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 2bxq_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 IcTLSEKEEQ IKKQTALVEL VKHKPKATKE QLKAVMDDFA DATA SEQUENCE AFVEKccKAD DKETcFAEEG KKLVAASQAA LG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 H HA 0.000 nan 4.556 nan 0.000 0.296 3 H C 0.000 175.309 175.328 -0.032 0.000 0.993 3 H CA 0.000 55.993 56.048 -0.092 0.000 1.023 3 H CB 0.000 29.733 29.762 -0.048 0.000 1.292 4 K N 0.863 121.308 120.400 0.075 0.000 2.243 4 K HA 0.236 4.559 4.320 0.005 0.000 0.201 4 K C -0.156 176.450 176.600 0.010 0.000 1.051 4 K CA 1.066 57.369 56.287 0.027 0.000 0.970 4 K CB 0.384 32.944 32.500 0.099 0.000 0.755 4 K HN 0.098 nan 8.250 nan 0.000 0.465 5 S N 0.291 116.013 115.700 0.037 0.000 2.707 5 S HA 0.216 4.689 4.470 0.005 0.000 0.312 5 S C 0.274 174.927 174.600 0.087 0.000 1.116 5 S CA -0.725 57.505 58.200 0.050 0.000 1.078 5 S CB 1.044 64.261 63.200 0.029 0.000 0.997 5 S HN 0.310 nan 8.310 nan 0.000 0.477 6 E N 2.958 123.214 120.200 0.093 0.000 2.031 6 E HA -0.126 4.227 4.350 0.005 0.000 0.193 6 E C 1.736 178.452 176.600 0.194 0.000 0.994 6 E CA 1.657 58.138 56.400 0.135 0.000 0.800 6 E CB -0.012 29.755 29.700 0.111 0.000 0.752 6 E HN 0.706 nan 8.360 nan 0.000 0.447 7 V N 1.368 121.392 119.914 0.184 0.000 2.282 7 V HA -0.317 3.806 4.120 0.005 0.000 0.249 7 V C 2.472 178.657 176.094 0.152 0.000 1.057 7 V CA 1.998 64.431 62.300 0.222 0.000 1.032 7 V CB -1.159 30.787 31.823 0.205 0.000 0.645 7 V HN 0.352 nan 8.190 nan 0.000 0.447 8 A N -0.364 122.491 122.820 0.057 0.000 1.908 8 A HA -0.307 4.016 4.320 0.005 0.000 0.218 8 A C 2.149 179.807 177.584 0.123 0.000 1.181 8 A CA 2.407 54.456 52.037 0.021 0.000 0.627 8 A CB -0.877 18.112 19.000 -0.018 0.000 0.818 8 A HN 0.751 nan 8.150 nan 0.000 0.445 9 H N -0.207 118.909 119.070 0.077 0.000 2.321 9 H HA -0.062 4.497 4.556 0.005 0.000 0.300 9 H C 2.258 177.651 175.328 0.107 0.000 1.087 9 H CA 2.001 58.100 56.048 0.086 0.000 1.319 9 H CB 0.033 29.843 29.762 0.079 0.000 1.379 9 H HN 0.277 nan 8.280 nan 0.000 0.501 10 R N -0.439 120.140 120.500 0.131 0.000 2.096 10 R HA -0.135 4.208 4.340 0.005 0.000 0.235 10 R C 2.342 178.705 176.300 0.104 0.000 1.127 10 R CA 1.146 57.319 56.100 0.120 0.000 0.968 10 R CB -1.253 29.208 30.300 0.267 0.000 0.861 10 R HN 0.378 nan 8.270 nan 0.000 0.440 11 F N 2.333 122.247 119.950 -0.060 0.000 2.102 11 F HA -0.190 4.340 4.527 0.005 0.000 0.298 11 F C 2.128 177.819 175.800 -0.181 0.000 1.105 11 F CA 1.654 59.478 58.000 -0.294 0.000 1.239 11 F CB 0.003 38.691 39.000 -0.519 0.000 0.991 11 F HN -0.103 nan 8.300 nan 0.000 0.474 12 K N -0.125 120.264 120.400 -0.018 0.000 2.026 12 K HA -0.172 4.151 4.320 0.005 0.000 0.208 12 K C 1.804 178.309 176.600 -0.159 0.000 1.048 12 K CA 1.628 57.870 56.287 -0.075 0.000 0.929 12 K CB -0.368 32.105 32.500 -0.044 0.000 0.713 12 K HN 0.254 nan 8.250 nan 0.000 0.439 13 D N 0.809 121.086 120.400 -0.205 0.000 2.078 13 D HA -0.136 4.507 4.640 0.005 0.000 0.193 13 D C 1.938 178.170 176.300 -0.113 0.000 0.990 13 D CA 1.040 54.942 54.000 -0.163 0.000 0.827 13 D CB -0.182 40.510 40.800 -0.180 0.000 0.975 13 D HN -0.036 nan 8.370 nan 0.000 0.451 14 L N -0.071 121.090 121.223 -0.104 0.000 2.017 14 L HA 0.096 4.439 4.340 0.005 0.000 0.208 14 L C 1.436 178.216 176.870 -0.150 0.000 1.073 14 L CA 1.519 56.308 54.840 -0.085 0.000 0.745 14 L CB -1.521 40.534 42.059 -0.007 0.000 0.894 14 L HN 0.249 nan 8.230 nan 0.000 0.432 15 G N -1.270 107.344 108.800 -0.310 0.000 2.650 15 G HA2 -0.175 3.788 3.960 0.005 0.000 0.686 15 G HA3 -0.175 3.788 3.960 0.005 0.000 0.686 15 G C 0.467 175.066 174.900 -0.501 0.000 1.205 15 G CA 0.061 44.944 45.100 -0.363 0.000 0.781 15 G HN 0.200 nan 8.290 nan 0.000 0.648 16 E N -0.102 119.783 120.200 -0.525 0.000 2.038 16 E HA -0.188 4.165 4.350 0.005 0.000 0.195 16 E C 2.187 178.758 176.600 -0.048 0.000 1.000 16 E CA 1.813 58.008 56.400 -0.342 0.000 0.803 16 E CB -0.045 29.632 29.700 -0.039 0.000 0.750 16 E HN 0.535 nan 8.360 nan 0.000 0.448 17 E N 0.727 120.908 120.200 -0.031 0.000 2.049 17 E HA -0.206 4.147 4.350 0.005 0.000 0.198 17 E C 1.900 178.512 176.600 0.020 0.000 1.007 17 E CA 1.037 57.447 56.400 0.018 0.000 0.809 17 E CB -0.565 29.141 29.700 0.010 0.000 0.749 17 E HN 0.326 nan 8.360 nan 0.000 0.450 18 N N 0.348 119.039 118.700 -0.016 0.000 2.120 18 N HA -0.140 4.603 4.740 0.005 0.000 0.188 18 N C 1.784 177.294 175.510 -0.001 0.000 1.024 18 N CA 0.653 53.684 53.050 -0.031 0.000 0.852 18 N CB -0.592 37.861 38.487 -0.058 0.000 1.003 18 N HN 0.128 nan 8.380 nan 0.000 0.424 19 F N 2.264 122.128 119.950 -0.143 0.000 2.069 19 F HA -0.162 4.368 4.527 0.005 0.000 0.298 19 F C 2.146 177.942 175.800 -0.007 0.000 1.113 19 F CA 1.551 59.495 58.000 -0.093 0.000 1.214 19 F CB -0.016 38.894 39.000 -0.149 0.000 0.978 19 F HN -0.084 nan 8.300 nan 0.000 0.474 20 K N -0.083 120.471 120.400 0.256 0.000 2.147 20 K HA -0.140 4.183 4.320 0.005 0.000 0.205 20 K C 2.206 178.835 176.600 0.047 0.000 1.049 20 K CA 1.101 57.495 56.287 0.177 0.000 0.936 20 K CB -0.433 32.183 32.500 0.193 0.000 0.722 20 K HN 0.388 nan 8.250 nan 0.000 0.446 21 A N 1.125 123.951 122.820 0.010 0.000 1.898 21 A HA -0.039 4.284 4.320 0.005 0.000 0.214 21 A C 2.077 179.612 177.584 -0.082 0.000 1.183 21 A CA 0.826 52.852 52.037 -0.018 0.000 0.622 21 A CB -0.404 18.580 19.000 -0.026 0.000 0.824 21 A HN 0.108 nan 8.150 nan 0.000 0.444 22 L N -0.472 120.659 121.223 -0.153 0.000 2.027 22 L HA -0.149 4.194 4.340 0.005 0.000 0.206 22 L C 2.521 179.244 176.870 -0.244 0.000 1.074 22 L CA 1.054 55.759 54.840 -0.224 0.000 0.745 22 L CB -0.597 41.297 42.059 -0.276 0.000 0.898 22 L HN 0.225 nan 8.230 nan 0.000 0.433 23 V N 0.085 119.823 119.914 -0.293 0.000 2.332 23 V HA -0.306 3.817 4.120 0.005 0.000 0.248 23 V C 2.414 178.513 176.094 0.009 0.000 1.055 23 V CA 1.812 63.974 62.300 -0.229 0.000 1.038 23 V CB -0.431 31.272 31.823 -0.200 0.000 0.651 23 V HN 0.340 nan 8.190 nan 0.000 0.450 24 L N -0.025 121.225 121.223 0.046 0.000 2.017 24 L HA -0.149 4.194 4.340 0.005 0.000 0.208 24 L C 2.181 179.087 176.870 0.059 0.000 1.073 24 L CA 1.962 56.872 54.840 0.116 0.000 0.745 24 L CB -0.487 41.634 42.059 0.103 0.000 0.894 24 L HN 0.220 nan 8.230 nan 0.000 0.432 25 I N -0.300 120.257 120.570 -0.021 0.000 2.208 25 I HA -0.317 3.856 4.170 0.005 0.000 0.245 25 I C 2.611 178.688 176.117 -0.066 0.000 1.097 25 I CA 1.203 62.469 61.300 -0.058 0.000 1.363 25 I CB -0.660 37.274 38.000 -0.110 0.000 1.051 25 I HN 0.406 nan 8.210 nan 0.000 0.413 26 A N 0.673 123.421 122.820 -0.120 0.000 1.883 26 A HA -0.218 4.105 4.320 0.005 0.000 0.217 26 A C 2.077 179.691 177.584 0.050 0.000 1.186 26 A CA 1.682 53.626 52.037 -0.155 0.000 0.624 26 A CB -0.938 17.794 19.000 -0.447 0.000 0.822 26 A HN 0.332 nan 8.150 nan 0.000 0.444 27 F N -0.032 119.994 119.950 0.127 0.000 2.206 27 F HA 0.031 4.561 4.527 0.005 0.000 0.298 27 F C 2.738 178.509 175.800 -0.048 0.000 1.090 27 F CA 0.608 58.684 58.000 0.126 0.000 1.323 27 F CB -0.566 38.487 39.000 0.088 0.000 1.028 27 F HN 0.251 nan 8.300 nan 0.000 0.492 28 A N -0.603 122.193 122.820 -0.041 0.000 2.015 28 A HA -0.190 4.133 4.320 0.005 0.000 0.219 28 A C 2.084 179.647 177.584 -0.035 0.000 1.163 28 A CA 1.330 53.270 52.037 -0.162 0.000 0.646 28 A CB -0.629 18.309 19.000 -0.104 0.000 0.806 28 A HN 0.456 nan 8.150 nan 0.000 0.448 29 Q N -2.132 117.657 119.800 -0.018 0.000 2.245 29 Q HA -0.093 4.250 4.340 0.005 0.000 0.201 29 Q C 1.450 177.335 176.000 -0.192 0.000 0.955 29 Q CA 1.273 56.995 55.803 -0.135 0.000 0.870 29 Q CB -0.117 28.491 28.738 -0.218 0.000 0.945 29 Q HN 0.869 nan 8.270 nan 0.000 0.461 30 Y N -0.296 120.003 120.300 -0.002 0.000 2.222 30 Y HA -0.010 4.543 4.550 0.005 0.000 0.290 30 Y C 0.736 176.615 175.900 -0.035 0.000 1.123 30 Y CA 0.032 58.129 58.100 -0.005 0.000 1.120 30 Y CB 0.325 38.785 38.460 -0.000 0.000 1.060 30 Y HN -0.021 nan 8.280 nan 0.000 0.508 31 L N 2.395 123.736 121.223 0.197 0.000 2.437 31 L HA 0.089 4.432 4.340 0.005 0.000 0.243 31 L C 0.862 177.961 176.870 0.383 0.000 1.346 31 L CA 0.380 55.291 54.840 0.118 0.000 1.233 31 L CB -0.735 41.463 42.059 0.232 0.000 1.436 31 L HN 0.365 nan 8.230 nan 0.000 0.416 32 Q N -0.456 119.525 119.800 0.302 0.000 2.439 32 Q HA -0.136 4.207 4.340 0.005 0.000 0.211 32 Q C 1.057 177.229 176.000 0.287 0.000 0.978 32 Q CA 0.843 56.787 55.803 0.235 0.000 0.897 32 Q CB 0.207 29.017 28.738 0.121 0.000 0.956 32 Q HN 0.548 nan 8.270 nan 0.000 0.483 33 Q N -0.879 119.181 119.800 0.434 0.000 2.352 33 Q HA 0.091 4.434 4.340 0.005 0.000 0.212 33 Q C 0.320 176.461 176.000 0.236 0.000 0.888 33 Q CA 0.135 56.079 55.803 0.235 0.000 0.934 33 Q CB 0.529 29.247 28.738 -0.033 0.000 1.093 33 Q HN 0.284 nan 8.270 nan 0.000 0.523 34 C N 4.211 123.719 119.300 0.346 0.000 2.644 34 C HA 0.264 4.727 4.460 0.005 0.000 0.417 34 C C -1.681 173.395 174.990 0.143 0.000 1.304 34 C CA -0.998 58.091 59.018 0.118 0.000 2.035 34 C CB 0.451 28.104 27.740 -0.145 0.000 2.673 34 C HN 0.274 nan 8.230 nan 0.000 0.602 35 P HA -0.002 nan 4.420 nan 0.000 0.272 35 P C 0.578 177.803 177.300 -0.125 0.000 1.230 35 P CA 0.022 63.147 63.100 0.041 0.000 0.788 35 P CB 0.407 32.096 31.700 -0.019 0.000 0.949 36 F N 2.461 122.143 119.950 -0.447 0.000 2.091 36 F HA -0.237 4.293 4.527 0.005 0.000 0.299 36 F C 1.735 177.313 175.800 -0.370 0.000 1.103 36 F CA 2.064 59.607 58.000 -0.761 0.000 1.228 36 F CB -0.757 37.797 39.000 -0.743 0.000 0.984 36 F HN 0.269 nan 8.300 nan 0.000 0.477 37 E N 0.016 119.986 120.200 -0.384 0.000 2.204 37 E HA -0.165 4.188 4.350 0.005 0.000 0.195 37 E C 1.707 178.084 176.600 -0.372 0.000 0.990 37 E CA 1.372 57.528 56.400 -0.406 0.000 0.821 37 E CB -0.571 29.009 29.700 -0.199 0.000 0.750 37 E HN 0.436 nan 8.360 nan 0.000 0.477 38 D N -0.373 119.816 120.400 -0.351 0.000 2.123 38 D HA -0.104 4.539 4.640 0.005 0.000 0.200 38 D C 1.661 177.718 176.300 -0.404 0.000 0.976 38 D CA 0.960 54.747 54.000 -0.356 0.000 0.831 38 D CB -0.078 40.500 40.800 -0.370 0.000 0.974 38 D HN 0.273 nan 8.370 nan 0.000 0.469 39 H N -0.180 118.704 119.070 -0.310 0.000 2.389 39 H HA -0.011 4.548 4.556 0.005 0.000 0.299 39 H C 2.286 177.417 175.328 -0.328 0.000 1.081 39 H CA 0.622 56.496 56.048 -0.290 0.000 1.345 39 H CB -0.402 29.268 29.762 -0.153 0.000 1.393 39 H HN 0.041 nan 8.280 nan 0.000 0.520 40 V N 1.423 121.121 119.914 -0.360 0.000 2.332 40 V HA -0.267 3.856 4.120 0.005 0.000 0.248 40 V C 2.615 178.581 176.094 -0.214 0.000 1.055 40 V CA 2.029 64.119 62.300 -0.350 0.000 1.038 40 V CB -0.425 31.078 31.823 -0.533 0.000 0.651 40 V HN 0.235 nan 8.190 nan 0.000 0.450 41 K N 0.579 120.841 120.400 -0.231 0.000 2.009 41 K HA -0.149 4.174 4.320 0.005 0.000 0.210 41 K C 1.927 178.432 176.600 -0.158 0.000 1.049 41 K CA 1.761 57.943 56.287 -0.176 0.000 0.929 41 K CB -0.729 31.658 32.500 -0.187 0.000 0.714 41 K HN 0.403 nan 8.250 nan 0.000 0.440 42 L N -0.172 120.914 121.223 -0.228 0.000 1.989 42 L HA -0.227 4.116 4.340 0.005 0.000 0.211 42 L C 2.331 179.137 176.870 -0.107 0.000 1.071 42 L CA 1.351 56.021 54.840 -0.283 0.000 0.749 42 L CB -0.646 41.025 42.059 -0.647 0.000 0.890 42 L HN 0.017 nan 8.230 nan 0.000 0.431 43 V N 0.244 120.137 119.914 -0.035 0.000 2.252 43 V HA -0.339 3.784 4.120 0.005 0.000 0.249 43 V C 2.314 178.480 176.094 0.120 0.000 1.056 43 V CA 2.138 64.503 62.300 0.107 0.000 1.022 43 V CB -0.740 31.138 31.823 0.091 0.000 0.641 43 V HN 0.511 nan 8.190 nan 0.000 0.445 44 N N 0.032 118.761 118.700 0.048 0.000 2.069 44 N HA -0.201 4.542 4.740 0.005 0.000 0.191 44 N C 1.840 177.392 175.510 0.071 0.000 1.031 44 N CA 1.742 54.825 53.050 0.055 0.000 0.852 44 N CB -0.350 38.138 38.487 0.002 0.000 1.018 44 N HN 0.624 nan 8.380 nan 0.000 0.423 45 E N 0.227 120.450 120.200 0.039 0.000 2.110 45 E HA -0.091 4.262 4.350 0.005 0.000 0.193 45 E C 1.974 178.657 176.600 0.139 0.000 0.988 45 E CA 0.768 57.198 56.400 0.050 0.000 0.804 45 E CB 0.073 29.765 29.700 -0.014 0.000 0.745 45 E HN 0.088 nan 8.360 nan 0.000 0.458 46 V N 0.987 121.016 119.914 0.192 0.000 2.379 46 V HA -0.210 3.913 4.120 0.005 0.000 0.245 46 V C 2.252 178.592 176.094 0.410 0.000 1.044 46 V CA 1.986 64.487 62.300 0.334 0.000 1.036 46 V CB -0.545 31.509 31.823 0.385 0.000 0.664 46 V HN 0.327 nan 8.190 nan 0.000 0.453 47 T N -0.463 114.308 114.554 0.362 0.000 2.708 47 T HA -0.195 4.158 4.350 0.005 0.000 0.266 47 T C 2.015 176.744 174.700 0.048 0.000 1.037 47 T CA 1.723 63.999 62.100 0.294 0.000 1.146 47 T CB -0.239 68.803 68.868 0.291 0.000 0.865 47 T HN 0.511 nan 8.240 nan 0.000 0.435 48 E N 0.651 120.894 120.200 0.071 0.000 2.085 48 E HA -0.112 4.241 4.350 0.005 0.000 0.194 48 E C 1.757 178.352 176.600 -0.009 0.000 0.994 48 E CA 0.984 57.386 56.400 0.003 0.000 0.801 48 E CB -0.727 28.994 29.700 0.034 0.000 0.743 48 E HN 0.665 nan 8.360 nan 0.000 0.453 49 F N 1.372 121.298 119.950 -0.040 0.000 2.095 49 F HA -0.166 4.364 4.527 0.005 0.000 0.298 49 F C 2.380 178.117 175.800 -0.106 0.000 1.104 49 F CA 1.548 59.523 58.000 -0.041 0.000 1.232 49 F CB -0.994 38.017 39.000 0.017 0.000 0.987 49 F HN 0.163 nan 8.300 nan 0.000 0.475 50 A N 0.500 123.151 122.820 -0.282 0.000 1.892 50 A HA -0.271 4.052 4.320 0.005 0.000 0.218 50 A C 2.304 179.426 177.584 -0.771 0.000 1.188 50 A CA 2.202 53.904 52.037 -0.558 0.000 0.631 50 A CB -0.880 17.776 19.000 -0.574 0.000 0.822 50 A HN 0.504 nan 8.150 nan 0.000 0.447 51 K N -1.069 118.881 120.400 -0.749 0.000 2.103 51 K HA -0.119 4.204 4.320 0.005 0.000 0.207 51 K C 2.125 178.475 176.600 -0.417 0.000 1.048 51 K CA 1.718 57.619 56.287 -0.643 0.000 0.930 51 K CB -0.418 31.820 32.500 -0.436 0.000 0.716 51 K HN 0.528 nan 8.250 nan 0.000 0.444 52 T N 0.840 115.173 114.554 -0.369 0.000 2.684 52 T HA -0.179 4.174 4.350 0.005 0.000 0.267 52 T C 2.100 176.611 174.700 -0.314 0.000 1.036 52 T CA 1.380 63.309 62.100 -0.284 0.000 1.148 52 T CB -0.413 68.306 68.868 -0.247 0.000 0.863 52 T HN 0.328 nan 8.240 nan 0.000 0.436 53 c N 1.106 119.430 118.600 -0.460 0.000 2.422 53 c HA 0.015 4.588 4.570 0.005 0.000 0.279 53 c C 2.839 176.782 174.090 -0.245 0.000 1.305 53 c CA -0.014 56.096 56.329 -0.365 0.000 1.757 53 c CB -1.256 40.974 42.510 -0.465 0.000 1.962 53 c HN 0.361 nan 8.230 nan 0.000 0.499 54 V N 1.416 121.155 119.914 -0.293 0.000 2.358 54 V HA -0.181 3.942 4.120 0.005 0.000 0.246 54 V C 2.743 178.756 176.094 -0.135 0.000 1.047 54 V CA 2.185 64.365 62.300 -0.199 0.000 1.035 54 V CB -1.214 30.448 31.823 -0.268 0.000 0.658 54 V HN 0.578 nan 8.190 nan 0.000 0.452 55 A N -0.474 122.254 122.820 -0.154 0.000 1.933 55 A HA -0.148 4.175 4.320 0.005 0.000 0.218 55 A C 1.200 178.738 177.584 -0.078 0.000 1.175 55 A CA 1.929 53.904 52.037 -0.103 0.000 0.628 55 A CB -0.176 18.761 19.000 -0.106 0.000 0.814 55 A HN 0.594 nan 8.150 nan 0.000 0.444 56 D N -1.988 118.358 120.400 -0.090 0.000 2.365 56 D HA 0.255 4.898 4.640 0.005 0.000 0.235 56 D C 0.133 176.394 176.300 -0.064 0.000 1.368 56 D CA -0.402 53.561 54.000 -0.061 0.000 1.001 56 D CB 0.519 41.289 40.800 -0.050 0.000 1.364 56 D HN 0.200 nan 8.370 nan 0.000 0.577 57 E N 0.840 121.015 120.200 -0.042 0.000 2.393 57 E HA -0.097 4.256 4.350 0.005 0.000 0.201 57 E C 0.740 177.332 176.600 -0.013 0.000 1.025 57 E CA 0.766 57.150 56.400 -0.028 0.000 0.856 57 E CB 0.296 30.001 29.700 0.007 0.000 0.771 57 E HN 0.269 nan 8.360 nan 0.000 0.526 58 S N 0.015 115.708 115.700 -0.011 0.000 2.556 58 S HA 0.201 4.674 4.470 0.005 0.000 0.216 58 S C 0.451 175.053 174.600 0.004 0.000 0.970 58 S CA -0.152 58.050 58.200 0.003 0.000 0.912 58 S CB 0.603 63.807 63.200 0.006 0.000 0.790 58 S HN 0.275 nan 8.310 nan 0.000 0.504 59 A N 1.891 124.703 122.820 -0.015 0.000 2.466 59 A HA 0.184 4.507 4.320 0.005 0.000 0.238 59 A C 0.447 178.055 177.584 0.039 0.000 1.074 59 A CA -0.209 51.825 52.037 -0.004 0.000 0.774 59 A CB 0.013 18.988 19.000 -0.043 0.000 1.015 59 A HN 0.432 nan 8.150 nan 0.000 0.498 60 E N 0.746 120.985 120.200 0.066 0.000 2.604 60 E HA -0.143 4.210 4.350 0.005 0.000 0.267 60 E C 0.323 177.038 176.600 0.192 0.000 0.970 60 E CA 0.911 57.372 56.400 0.102 0.000 0.956 60 E CB 0.041 29.796 29.700 0.092 0.000 0.939 60 E HN 0.727 nan 8.360 nan 0.000 0.465 61 N N 0.990 119.791 118.700 0.167 0.000 2.805 61 N HA -0.299 4.444 4.740 0.005 0.000 0.241 61 N C 0.854 176.575 175.510 0.352 0.000 1.007 61 N CA 1.328 54.510 53.050 0.220 0.000 0.961 61 N CB -1.823 36.766 38.487 0.169 0.000 1.121 61 N HN 0.470 nan 8.380 nan 0.000 0.600 62 c N 1.361 120.120 118.600 0.264 0.000 2.422 62 c HA -0.099 4.474 4.570 0.005 0.000 0.286 62 c C 2.094 176.259 174.090 0.125 0.000 1.412 62 c CA 0.962 57.380 56.329 0.149 0.000 1.786 62 c CB -0.861 41.627 42.510 -0.036 0.000 1.835 62 c HN 0.549 nan 8.230 nan 0.000 0.533 63 D N 0.145 120.613 120.400 0.113 0.000 2.305 63 D HA -0.036 4.607 4.640 0.005 0.000 0.206 63 D C 0.720 177.073 176.300 0.089 0.000 0.974 63 D CA 0.507 54.555 54.000 0.079 0.000 0.871 63 D CB -0.389 40.445 40.800 0.057 0.000 0.947 63 D HN 0.244 nan 8.370 nan 0.000 0.516 64 K N 1.427 121.898 120.400 0.118 0.000 2.397 64 K HA 0.100 4.423 4.320 0.005 0.000 0.265 64 K C 0.828 177.497 176.600 0.115 0.000 0.982 64 K CA 0.004 56.354 56.287 0.105 0.000 0.931 64 K CB 0.433 32.993 32.500 0.100 0.000 0.943 64 K HN 0.288 nan 8.250 nan 0.000 0.501 65 S N 1.034 116.796 115.700 0.104 0.000 2.592 65 S HA 0.154 4.627 4.470 0.005 0.000 0.271 65 S C 1.614 176.293 174.600 0.131 0.000 1.326 65 S CA -0.690 57.581 58.200 0.118 0.000 1.024 65 S CB 0.570 63.847 63.200 0.129 0.000 0.921 65 S HN 0.513 nan 8.310 nan 0.000 0.527 66 L N 0.904 122.194 121.223 0.110 0.000 2.042 66 L HA -0.156 4.187 4.340 0.005 0.000 0.210 66 L C 2.562 179.445 176.870 0.022 0.000 1.076 66 L CA 1.820 56.690 54.840 0.050 0.000 0.749 66 L CB -0.823 41.212 42.059 -0.041 0.000 0.893 66 L HN 0.828 nan 8.230 nan 0.000 0.432 67 H N -1.079 118.019 119.070 0.046 0.000 2.319 67 H HA -0.171 4.387 4.556 0.005 0.000 0.299 67 H C 2.342 177.731 175.328 0.103 0.000 1.092 67 H CA 2.126 58.213 56.048 0.065 0.000 1.302 67 H CB -0.264 29.529 29.762 0.052 0.000 1.373 67 H HN 0.242 nan 8.280 nan 0.000 0.497 68 T N 0.636 115.311 114.554 0.203 0.000 2.674 68 T HA -0.120 4.233 4.350 0.005 0.000 0.265 68 T C 2.219 176.967 174.700 0.079 0.000 1.039 68 T CA 1.274 63.450 62.100 0.127 0.000 1.150 68 T CB -0.403 68.522 68.868 0.095 0.000 0.864 68 T HN 0.163 nan 8.240 nan 0.000 0.427 69 L N -0.078 121.191 121.223 0.077 0.000 2.012 69 L HA -0.103 4.240 4.340 0.005 0.000 0.210 69 L C 2.334 179.222 176.870 0.030 0.000 1.073 69 L CA 1.510 56.364 54.840 0.023 0.000 0.748 69 L CB -0.662 41.432 42.059 0.058 0.000 0.891 69 L HN 0.177 nan 8.230 nan 0.000 0.431 70 F N 1.015 120.907 119.950 -0.096 0.000 2.069 70 F HA -0.160 4.370 4.527 0.005 0.000 0.298 70 F C 2.276 177.959 175.800 -0.196 0.000 1.113 70 F CA 1.648 59.536 58.000 -0.186 0.000 1.214 70 F CB -0.812 37.986 39.000 -0.336 0.000 0.978 70 F HN -0.015 nan 8.300 nan 0.000 0.474 71 G N -0.263 108.444 108.800 -0.154 0.000 2.418 71 G HA2 -0.273 3.690 3.960 0.005 0.000 0.217 71 G HA3 -0.273 3.690 3.960 0.005 0.000 0.217 71 G C 1.403 176.199 174.900 -0.174 0.000 1.158 71 G CA 1.059 46.030 45.100 -0.216 0.000 0.771 71 G HN 0.351 nan 8.290 nan 0.000 0.545 72 D N 0.550 120.895 120.400 -0.092 0.000 2.123 72 D HA -0.088 4.555 4.640 0.005 0.000 0.196 72 D C 2.344 178.564 176.300 -0.133 0.000 0.992 72 D CA 1.139 55.091 54.000 -0.081 0.000 0.833 72 D CB -0.143 40.615 40.800 -0.070 0.000 0.954 72 D HN 0.188 nan 8.370 nan 0.000 0.455 73 K N 0.456 120.755 120.400 -0.168 0.000 2.057 73 K HA -0.100 4.223 4.320 0.005 0.000 0.207 73 K C 1.988 178.450 176.600 -0.230 0.000 1.049 73 K CA 0.439 56.624 56.287 -0.169 0.000 0.931 73 K CB -0.595 31.866 32.500 -0.066 0.000 0.714 73 K HN -0.023 nan 8.250 nan 0.000 0.440 74 L N 0.347 121.360 121.223 -0.350 0.000 2.042 74 L HA -0.213 4.130 4.340 0.005 0.000 0.210 74 L C 1.961 178.701 176.870 -0.218 0.000 1.076 74 L CA 1.631 56.228 54.840 -0.405 0.000 0.749 74 L CB -0.758 40.800 42.059 -0.836 0.000 0.893 74 L HN 0.282 nan 8.230 nan 0.000 0.432 75 c N -1.654 116.869 118.600 -0.128 0.000 2.491 75 c HA -0.053 4.520 4.570 0.005 0.000 0.277 75 c C 2.612 176.674 174.090 -0.045 0.000 1.455 75 c CA 0.829 57.147 56.329 -0.019 0.000 1.758 75 c CB -1.405 41.127 42.510 0.036 0.000 1.745 75 c HN 0.541 nan 8.230 nan 0.000 0.558 76 T N 0.908 115.407 114.554 -0.092 0.000 2.737 76 T HA -0.070 4.283 4.350 0.005 0.000 0.265 76 T C 0.900 175.551 174.700 -0.081 0.000 1.038 76 T CA 0.810 62.855 62.100 -0.092 0.000 1.144 76 T CB -0.126 68.665 68.868 -0.128 0.000 0.866 76 T HN 0.270 nan 8.240 nan 0.000 0.434 77 V N 2.552 122.408 119.914 -0.096 0.000 2.621 77 V HA -0.035 4.088 4.120 0.005 0.000 0.300 77 V C 1.601 177.680 176.094 -0.025 0.000 1.031 77 V CA 0.261 62.520 62.300 -0.069 0.000 1.210 77 V CB -0.283 31.506 31.823 -0.057 0.000 0.864 77 V HN 0.496 nan 8.190 nan 0.000 0.477 78 A N 5.002 127.804 122.820 -0.030 0.000 1.898 78 A HA -0.109 4.214 4.320 0.005 0.000 0.216 78 A C 2.045 179.631 177.584 0.003 0.000 1.181 78 A CA 1.845 53.872 52.037 -0.017 0.000 0.620 78 A CB -0.503 18.480 19.000 -0.029 0.000 0.819 78 A HN 0.968 nan 8.150 nan 0.000 0.442 79 T N -2.170 112.391 114.554 0.012 0.000 3.272 79 T HA 0.208 4.561 4.350 0.005 0.000 0.250 79 T C 1.298 176.046 174.700 0.081 0.000 1.082 79 T CA 0.470 62.584 62.100 0.023 0.000 0.968 79 T CB -0.177 68.691 68.868 -0.001 0.000 1.015 79 T HN 0.112 nan 8.240 nan 0.000 0.563 80 L N 1.770 123.060 121.223 0.111 0.000 2.021 80 L HA -0.064 4.279 4.340 0.005 0.000 0.215 80 L C 2.675 179.663 176.870 0.197 0.000 1.074 80 L CA 1.880 56.842 54.840 0.203 0.000 0.760 80 L CB -0.506 41.624 42.059 0.118 0.000 0.889 80 L HN 0.334 nan 8.230 nan 0.000 0.433 81 R N -0.874 119.684 120.500 0.096 0.000 2.093 81 R HA -0.073 4.270 4.340 0.005 0.000 0.224 81 R C 2.179 178.498 176.300 0.032 0.000 1.101 81 R CA 1.294 57.431 56.100 0.063 0.000 0.979 81 R CB -0.257 30.061 30.300 0.030 0.000 0.877 81 R HN 0.470 nan 8.270 nan 0.000 0.441 82 E N -0.038 120.169 120.200 0.012 0.000 2.204 82 E HA -0.091 4.262 4.350 0.005 0.000 0.194 82 E C 1.690 178.251 176.600 -0.065 0.000 0.989 82 E CA 1.664 58.051 56.400 -0.022 0.000 0.824 82 E CB -0.703 28.982 29.700 -0.025 0.000 0.756 82 E HN 0.559 nan 8.360 nan 0.000 0.477 83 T N -1.197 113.299 114.554 -0.096 0.000 3.033 83 T HA 0.134 4.487 4.350 0.005 0.000 0.248 83 T C 0.954 175.378 174.700 -0.461 0.000 1.040 83 T CA 0.876 62.786 62.100 -0.315 0.000 1.133 83 T CB -0.092 68.491 68.868 -0.475 0.000 0.895 83 T HN 0.563 nan 8.240 nan 0.000 0.465 84 Y N 0.775 121.087 120.300 0.021 0.000 2.557 84 Y HA 0.449 5.002 4.550 0.005 0.000 0.247 84 Y C 1.921 177.817 175.900 -0.006 0.000 1.164 84 Y CA -0.635 57.482 58.100 0.027 0.000 1.218 84 Y CB -0.211 38.288 38.460 0.065 0.000 1.210 84 Y HN 0.290 nan 8.280 nan 0.000 0.529 85 G N 1.569 110.418 108.800 0.081 0.000 2.693 85 G HA2 -0.565 3.398 3.960 0.005 0.000 0.354 85 G HA3 -0.565 3.398 3.960 0.005 0.000 0.354 85 G C 1.410 176.308 174.900 -0.003 0.000 1.207 85 G CA 1.475 46.591 45.100 0.027 0.000 0.958 85 G HN 0.470 nan 8.290 nan 0.000 0.560 86 E N -0.065 120.100 120.200 -0.057 0.000 2.208 86 E HA -0.247 4.106 4.350 0.005 0.000 0.202 86 E C 2.520 178.952 176.600 -0.280 0.000 1.014 86 E CA 1.966 58.270 56.400 -0.160 0.000 0.819 86 E CB -0.221 29.362 29.700 -0.195 0.000 0.735 86 E HN 0.583 nan 8.360 nan 0.000 0.469 87 M N -0.201 119.272 119.600 -0.212 0.000 2.213 87 M HA -0.134 4.349 4.480 0.005 0.000 0.263 87 M C 2.151 178.432 176.300 -0.031 0.000 1.062 87 M CA 1.532 56.741 55.300 -0.152 0.000 1.105 87 M CB -0.067 32.591 32.600 0.097 0.000 1.385 87 M HN 0.268 nan 8.290 nan 0.000 0.417 88 A N 0.311 123.146 122.820 0.025 0.000 2.024 88 A HA -0.193 4.130 4.320 0.005 0.000 0.220 88 A C 1.491 179.068 177.584 -0.012 0.000 1.164 88 A CA 1.910 53.973 52.037 0.045 0.000 0.643 88 A CB -0.770 18.262 19.000 0.054 0.000 0.806 88 A HN 0.559 nan 8.150 nan 0.000 0.451 89 D N -0.539 119.827 120.400 -0.057 0.000 2.310 89 D HA -0.095 4.548 4.640 0.005 0.000 0.212 89 D C 1.804 178.050 176.300 -0.090 0.000 0.965 89 D CA 0.943 54.907 54.000 -0.060 0.000 0.879 89 D CB -0.517 40.247 40.800 -0.060 0.000 0.921 89 D HN 0.482 nan 8.370 nan 0.000 0.510 90 c N 0.382 118.880 118.600 -0.169 0.000 2.425 90 c HA -0.150 4.423 4.570 0.005 0.000 0.277 90 c C 2.881 176.843 174.090 -0.213 0.000 1.280 90 c CA 0.119 56.256 56.329 -0.320 0.000 1.744 90 c CB -1.014 40.966 42.510 -0.884 0.000 1.989 90 c HN 0.448 nan 8.230 nan 0.000 0.491 91 c N 1.080 119.633 118.600 -0.080 0.000 2.409 91 c HA -0.032 4.541 4.570 0.005 0.000 0.288 91 c C 2.799 176.893 174.090 0.007 0.000 1.395 91 c CA 1.089 57.436 56.329 0.031 0.000 1.792 91 c CB -1.771 40.785 42.510 0.076 0.000 1.847 91 c HN 0.727 nan 8.230 nan 0.000 0.534 92 A N -0.190 122.618 122.820 -0.019 0.000 2.178 92 A HA 0.070 4.392 4.320 0.005 0.000 0.211 92 A C 0.972 178.548 177.584 -0.012 0.000 1.157 92 A CA 0.492 52.522 52.037 -0.011 0.000 0.780 92 A CB -0.054 18.937 19.000 -0.014 0.000 0.828 92 A HN 0.663 nan 8.150 nan 0.000 0.476 93 K N -0.304 120.081 120.400 -0.025 0.000 2.090 93 K HA 0.540 4.863 4.320 0.005 0.000 0.250 93 K C 0.342 176.943 176.600 0.001 0.000 1.004 93 K CA 0.159 56.434 56.287 -0.019 0.000 0.919 93 K CB 0.438 32.914 32.500 -0.041 0.000 1.045 93 K HN 0.334 nan 8.250 nan 0.000 0.471 94 Q N 1.254 121.058 119.800 0.007 0.000 2.193 94 Q HA 0.200 4.543 4.340 0.005 0.000 0.246 94 Q C -0.483 175.532 176.000 0.026 0.000 0.959 94 Q CA -0.658 55.157 55.803 0.019 0.000 0.904 94 Q CB 0.684 29.430 28.738 0.013 0.000 1.238 94 Q HN 0.625 nan 8.270 nan 0.000 0.469 95 E N 1.402 121.625 120.200 0.038 0.000 2.383 95 E HA 0.201 4.554 4.350 0.005 0.000 0.264 95 E C -1.554 175.055 176.600 0.015 0.000 1.050 95 E CA -1.361 55.064 56.400 0.041 0.000 0.896 95 E CB 1.242 30.974 29.700 0.054 0.000 0.982 95 E HN 0.559 nan 8.360 nan 0.000 0.424 96 P HA 0.086 nan 4.420 nan 0.000 0.255 96 P C -0.126 177.186 177.300 0.020 0.000 1.248 96 P CA 0.250 63.347 63.100 -0.004 0.000 0.807 96 P CB 0.587 32.258 31.700 -0.049 0.000 1.150 97 E N 0.648 120.857 120.200 0.015 0.000 2.110 97 E HA -0.148 4.205 4.350 0.005 0.000 0.193 97 E C 2.250 178.848 176.600 -0.003 0.000 0.988 97 E CA 0.962 57.367 56.400 0.008 0.000 0.804 97 E CB -0.492 29.206 29.700 -0.002 0.000 0.745 97 E HN 0.185 nan 8.360 nan 0.000 0.458 98 R N 0.657 121.163 120.500 0.010 0.000 2.080 98 R HA -0.219 4.124 4.340 0.005 0.000 0.236 98 R C 2.139 178.485 176.300 0.076 0.000 1.137 98 R CA 1.943 58.032 56.100 -0.018 0.000 0.943 98 R CB -0.263 30.095 30.300 0.097 0.000 0.846 98 R HN 0.140 nan 8.270 nan 0.000 0.431 99 N N 0.173 119.015 118.700 0.236 0.000 2.084 99 N HA -0.215 4.528 4.740 0.005 0.000 0.190 99 N C 1.640 177.299 175.510 0.248 0.000 1.030 99 N CA 1.761 55.028 53.050 0.361 0.000 0.849 99 N CB -0.133 38.526 38.487 0.287 0.000 1.012 99 N HN 0.186 nan 8.380 nan 0.000 0.423 100 E N -0.023 120.249 120.200 0.119 0.000 2.085 100 E HA -0.150 4.203 4.350 0.005 0.000 0.194 100 E C 2.082 178.711 176.600 0.048 0.000 0.994 100 E CA 0.886 57.335 56.400 0.082 0.000 0.801 100 E CB -0.915 28.822 29.700 0.063 0.000 0.743 100 E HN 0.501 nan 8.360 nan 0.000 0.453 101 c N -0.506 118.082 118.600 -0.020 0.000 2.425 101 c HA -0.098 4.475 4.570 0.005 0.000 0.277 101 c C 2.381 176.428 174.090 -0.073 0.000 1.280 101 c CA 0.576 56.842 56.329 -0.105 0.000 1.744 101 c CB -1.475 40.923 42.510 -0.186 0.000 1.989 101 c HN 0.426 nan 8.230 nan 0.000 0.491 102 F N 0.461 120.512 119.950 0.169 0.000 2.186 102 F HA -0.015 4.515 4.527 0.005 0.000 0.299 102 F C 2.125 178.075 175.800 0.250 0.000 1.090 102 F CA 1.051 59.208 58.000 0.260 0.000 1.307 102 F CB -0.965 38.200 39.000 0.275 0.000 1.019 102 F HN 0.099 nan 8.300 nan 0.000 0.489 103 L N 0.182 121.611 121.223 0.342 0.000 2.012 103 L HA -0.243 4.100 4.340 0.005 0.000 0.210 103 L C 2.328 179.254 176.870 0.092 0.000 1.073 103 L CA 1.803 56.756 54.840 0.188 0.000 0.748 103 L CB -1.519 40.594 42.059 0.091 0.000 0.891 103 L HN 0.270 nan 8.230 nan 0.000 0.431 104 Q N -1.544 118.238 119.800 -0.031 0.000 2.226 104 Q HA -0.174 4.169 4.340 0.005 0.000 0.204 104 Q C 1.451 177.304 176.000 -0.245 0.000 0.975 104 Q CA 1.160 56.851 55.803 -0.186 0.000 0.866 104 Q CB -0.139 28.375 28.738 -0.373 0.000 0.915 104 Q HN 0.619 nan 8.270 nan 0.000 0.440 105 H N 0.080 119.232 119.070 0.136 0.000 2.551 105 H HA 0.173 4.732 4.556 0.005 0.000 0.271 105 H C 0.128 175.537 175.328 0.135 0.000 0.984 105 H CA 0.140 56.269 56.048 0.134 0.000 1.164 105 H CB 0.181 30.024 29.762 0.135 0.000 1.437 105 H HN 0.085 nan 8.280 nan 0.000 0.550 106 K N 2.455 122.950 120.400 0.158 0.000 2.378 106 K HA -0.003 4.320 4.320 0.005 0.000 0.288 106 K C -0.711 175.945 176.600 0.092 0.000 1.057 106 K CA -0.271 56.033 56.287 0.028 0.000 0.971 106 K CB 0.380 32.749 32.500 -0.218 0.000 0.975 106 K HN -0.017 nan 8.250 nan 0.000 0.475 107 D N 3.853 124.309 120.400 0.093 0.000 2.312 107 D HA 0.099 4.742 4.640 0.005 0.000 0.252 107 D C 1.067 177.454 176.300 0.146 0.000 1.150 107 D CA 0.359 54.435 54.000 0.128 0.000 0.870 107 D CB 1.348 42.215 40.800 0.110 0.000 1.153 107 D HN 0.638 nan 8.370 nan 0.000 0.457 108 D N 2.851 123.415 120.400 0.273 0.000 2.097 108 D HA -0.101 4.542 4.640 0.005 0.000 0.197 108 D C 0.962 177.349 176.300 0.146 0.000 0.984 108 D CA 1.406 55.632 54.000 0.377 0.000 0.826 108 D CB -0.791 40.157 40.800 0.246 0.000 0.973 108 D HN 0.609 nan 8.370 nan 0.000 0.460 109 N N 1.361 120.107 118.700 0.076 0.000 2.851 109 N HA 0.523 5.266 4.740 0.005 0.000 0.248 109 N C -2.568 172.948 175.510 0.010 0.000 1.221 109 N CA -1.001 52.060 53.050 0.018 0.000 0.847 109 N CB 0.889 39.384 38.487 0.013 0.000 1.150 109 N HN 0.377 nan 8.380 nan 0.000 0.507 110 P HA 0.232 nan 4.420 nan 0.000 0.272 110 P C -0.012 177.282 177.300 -0.010 0.000 1.240 110 P CA -0.072 63.030 63.100 0.004 0.000 0.791 110 P CB 0.475 32.175 31.700 -0.001 0.000 0.978 111 N N 2.172 120.871 118.700 -0.002 0.000 2.868 111 N HA 0.407 5.150 4.740 0.005 0.000 0.252 111 N C -0.217 175.286 175.510 -0.013 0.000 1.130 111 N CA -0.455 52.590 53.050 -0.007 0.000 1.026 111 N CB -0.560 37.925 38.487 -0.003 0.000 1.335 111 N HN 0.306 nan 8.380 nan 0.000 0.516 112 L N 0.713 121.922 121.223 -0.023 0.000 2.354 112 L HA 0.602 4.945 4.340 0.005 0.000 0.269 112 L C -1.965 174.893 176.870 -0.021 0.000 1.005 112 L CA -1.926 52.898 54.840 -0.025 0.000 0.819 112 L CB 2.104 44.136 42.059 -0.045 0.000 1.311 112 L HN 0.341 nan 8.230 nan 0.000 0.423 113 P HA 0.093 nan 4.420 nan 0.000 0.267 113 P C -0.928 176.369 177.300 -0.004 0.000 1.200 113 P CA -0.430 62.667 63.100 -0.005 0.000 0.772 113 P CB 0.335 32.035 31.700 -0.000 0.000 0.855 114 R N 1.503 122.006 120.500 0.005 0.000 2.679 114 R HA 0.240 4.583 4.340 0.005 0.000 0.268 114 R C -0.570 175.743 176.300 0.021 0.000 1.044 114 R CA -0.556 55.552 56.100 0.013 0.000 1.105 114 R CB -0.105 30.206 30.300 0.019 0.000 0.989 114 R HN 0.196 nan 8.270 nan 0.000 0.447 115 L N 4.009 125.250 121.223 0.030 0.000 2.278 115 L HA 0.179 4.522 4.340 0.005 0.000 0.287 115 L C -0.339 176.569 176.870 0.063 0.000 1.072 115 L CA -0.294 54.577 54.840 0.051 0.000 0.819 115 L CB 1.421 43.517 42.059 0.060 0.000 1.176 115 L HN 0.643 nan 8.230 nan 0.000 0.435 116 V N 3.277 123.234 119.914 0.072 0.000 2.567 116 V HA 0.545 4.668 4.120 0.005 0.000 0.289 116 V C 0.296 176.446 176.094 0.095 0.000 1.049 116 V CA -0.957 61.385 62.300 0.071 0.000 0.969 116 V CB 1.224 33.083 31.823 0.060 0.000 0.995 116 V HN 0.822 nan 8.190 nan 0.000 0.471 117 R N 4.531 125.078 120.500 0.078 0.000 2.316 117 R HA 0.440 4.783 4.340 0.005 0.000 0.314 117 R C -2.249 174.112 176.300 0.101 0.000 1.069 117 R CA -1.186 54.965 56.100 0.085 0.000 0.959 117 R CB 0.556 30.895 30.300 0.065 0.000 0.987 117 R HN 0.733 nan 8.270 nan 0.000 0.446 118 P HA 0.038 nan 4.420 nan 0.000 0.277 118 P C -0.872 176.500 177.300 0.119 0.000 1.276 118 P CA -0.522 62.663 63.100 0.142 0.000 0.788 118 P CB 0.537 32.360 31.700 0.205 0.000 1.114 119 E N -0.779 119.483 120.200 0.103 0.000 2.354 119 E HA 0.031 4.384 4.350 0.005 0.000 0.269 119 E C 1.554 178.212 176.600 0.096 0.000 1.036 119 E CA -0.291 56.157 56.400 0.081 0.000 0.876 119 E CB 0.635 30.372 29.700 0.062 0.000 1.009 119 E HN 0.222 nan 8.360 nan 0.000 0.416 120 V N 2.172 122.131 119.914 0.074 0.000 2.313 120 V HA -0.318 3.805 4.120 0.005 0.000 0.253 120 V C 1.856 178.002 176.094 0.086 0.000 1.070 120 V CA 2.349 64.695 62.300 0.075 0.000 1.057 120 V CB -0.467 31.373 31.823 0.029 0.000 0.653 120 V HN 0.701 nan 8.190 nan 0.000 0.450 121 D N -0.132 120.306 120.400 0.065 0.000 2.144 121 D HA -0.120 4.523 4.640 0.005 0.000 0.200 121 D C 2.187 178.528 176.300 0.068 0.000 0.978 121 D CA 1.705 55.739 54.000 0.057 0.000 0.833 121 D CB -0.391 40.433 40.800 0.039 0.000 0.961 121 D HN 0.535 nan 8.370 nan 0.000 0.470 122 V N -1.121 118.844 119.914 0.084 0.000 2.358 122 V HA -0.217 3.906 4.120 0.005 0.000 0.246 122 V C 2.247 178.403 176.094 0.103 0.000 1.047 122 V CA 1.141 63.497 62.300 0.093 0.000 1.035 122 V CB -0.703 31.186 31.823 0.110 0.000 0.658 122 V HN 0.045 nan 8.190 nan 0.000 0.452 123 M N 0.019 119.709 119.600 0.150 0.000 2.065 123 M HA -0.189 4.294 4.480 0.005 0.000 0.259 123 M C 2.522 178.777 176.300 -0.076 0.000 1.071 123 M CA 2.569 57.951 55.300 0.136 0.000 1.109 123 M CB -1.038 31.799 32.600 0.395 0.000 1.313 123 M HN 0.513 nan 8.290 nan 0.000 0.408 124 c N 0.265 118.929 118.600 0.107 0.000 2.411 124 c HA -0.140 4.433 4.570 0.005 0.000 0.279 124 c C 2.925 177.084 174.090 0.115 0.000 1.288 124 c CA 1.456 57.878 56.329 0.154 0.000 1.764 124 c CB -1.121 41.478 42.510 0.147 0.000 1.974 124 c HN 0.594 nan 8.230 nan 0.000 0.498 125 T N 0.560 115.145 114.554 0.053 0.000 2.896 125 T HA -0.011 4.342 4.350 0.005 0.000 0.263 125 T C 2.114 176.831 174.700 0.029 0.000 1.050 125 T CA 1.321 63.455 62.100 0.056 0.000 1.140 125 T CB -0.297 68.597 68.868 0.042 0.000 0.877 125 T HN 0.622 nan 8.240 nan 0.000 0.457 126 A N 1.330 124.115 122.820 -0.058 0.000 1.902 126 A HA -0.028 4.295 4.320 0.005 0.000 0.217 126 A C 1.970 179.393 177.584 -0.268 0.000 1.181 126 A CA 1.308 53.282 52.037 -0.104 0.000 0.623 126 A CB -0.969 18.008 19.000 -0.038 0.000 0.818 126 A HN 0.454 nan 8.150 nan 0.000 0.443 127 F N 0.694 120.194 119.950 -0.750 0.000 2.046 127 F HA -0.260 4.270 4.527 0.005 0.000 0.297 127 F C 2.427 178.104 175.800 -0.204 0.000 1.123 127 F CA 2.417 60.008 58.000 -0.683 0.000 1.199 127 F CB -0.782 37.831 39.000 -0.645 0.000 0.972 127 F HN 0.549 nan 8.300 nan 0.000 0.474 128 H N -0.174 118.706 119.070 -0.316 0.000 2.321 128 H HA -0.160 4.399 4.556 0.005 0.000 0.300 128 H C 1.585 176.778 175.328 -0.224 0.000 1.087 128 H CA 2.078 57.939 56.048 -0.310 0.000 1.319 128 H CB -0.674 29.029 29.762 -0.100 0.000 1.379 128 H HN 0.235 nan 8.280 nan 0.000 0.501 129 D N 0.436 120.761 120.400 -0.125 0.000 2.351 129 D HA -0.094 4.549 4.640 0.005 0.000 0.216 129 D C 0.211 176.410 176.300 -0.167 0.000 0.968 129 D CA 0.864 54.789 54.000 -0.126 0.000 0.899 129 D CB -0.066 40.752 40.800 0.029 0.000 0.907 129 D HN 0.313 nan 8.370 nan 0.000 0.514 130 N N -0.295 118.294 118.700 -0.184 0.000 3.664 130 N HA -0.094 4.649 4.740 0.005 0.000 0.139 130 N C 0.428 175.896 175.510 -0.069 0.000 1.286 130 N CA -0.058 52.927 53.050 -0.108 0.000 1.541 130 N CB -0.237 38.239 38.487 -0.018 0.000 1.689 130 N HN -0.056 nan 8.380 nan 0.000 0.695 131 E N 0.622 120.701 120.200 -0.201 0.000 2.065 131 E HA -0.249 4.104 4.350 0.005 0.000 0.201 131 E C 0.961 177.615 176.600 0.090 0.000 1.016 131 E CA 1.400 57.715 56.400 -0.142 0.000 0.818 131 E CB 0.204 29.694 29.700 -0.350 0.000 0.749 131 E HN 0.438 nan 8.360 nan 0.000 0.453 132 E N -0.360 119.869 120.200 0.048 0.000 2.021 132 E HA -0.224 4.129 4.350 0.005 0.000 0.200 132 E C 2.336 179.015 176.600 0.132 0.000 1.015 132 E CA 2.213 58.667 56.400 0.090 0.000 0.824 132 E CB -0.534 29.202 29.700 0.060 0.000 0.762 132 E HN 0.548 nan 8.360 nan 0.000 0.454 133 T N -1.048 113.585 114.554 0.132 0.000 2.867 133 T HA -0.158 4.195 4.350 0.005 0.000 0.268 133 T C 1.932 176.682 174.700 0.083 0.000 1.057 133 T CA 1.192 63.387 62.100 0.158 0.000 1.136 133 T CB -0.546 68.416 68.868 0.158 0.000 0.874 133 T HN 0.150 nan 8.240 nan 0.000 0.466 134 F N 1.737 121.687 119.950 -0.000 0.000 2.102 134 F HA 0.162 4.692 4.527 0.005 0.000 0.298 134 F C 1.987 177.816 175.800 0.048 0.000 1.105 134 F CA 1.068 59.073 58.000 0.008 0.000 1.239 134 F CB -0.383 38.653 39.000 0.059 0.000 0.991 134 F HN 0.102 nan 8.300 nan 0.000 0.474 135 L N 0.036 121.308 121.223 0.081 0.000 2.056 135 L HA -0.177 4.166 4.340 0.005 0.000 0.207 135 L C 2.485 179.328 176.870 -0.045 0.000 1.078 135 L CA 1.051 55.888 54.840 -0.006 0.000 0.749 135 L CB -0.643 41.508 42.059 0.153 0.000 0.901 135 L HN 0.011 nan 8.230 nan 0.000 0.433 136 K N 0.313 120.726 120.400 0.021 0.000 2.148 136 K HA -0.175 4.148 4.320 0.005 0.000 0.204 136 K C 1.970 178.513 176.600 -0.096 0.000 1.050 136 K CA 0.953 57.291 56.287 0.086 0.000 0.942 136 K CB -0.215 32.444 32.500 0.265 0.000 0.724 136 K HN 0.073 nan 8.250 nan 0.000 0.446 137 K N 0.549 120.651 120.400 -0.497 0.000 2.057 137 K HA -0.127 4.196 4.320 0.005 0.000 0.207 137 K C 1.885 178.104 176.600 -0.635 0.000 1.049 137 K CA 1.476 57.088 56.287 -1.124 0.000 0.931 137 K CB -0.403 31.471 32.500 -1.044 0.000 0.714 137 K HN 0.155 nan 8.250 nan 0.000 0.440 138 Y N -0.006 120.035 120.300 -0.431 0.000 2.337 138 Y HA 0.033 4.586 4.550 0.005 0.000 0.293 138 Y C 2.009 177.754 175.900 -0.260 0.000 1.123 138 Y CA 0.696 58.575 58.100 -0.368 0.000 1.201 138 Y CB 0.088 38.239 38.460 -0.515 0.000 1.011 138 Y HN -0.006 nan 8.280 nan 0.000 0.545 139 L N -0.718 120.471 121.223 -0.055 0.000 2.012 139 L HA -0.311 4.031 4.340 0.005 0.000 0.210 139 L C 2.435 179.296 176.870 -0.014 0.000 1.073 139 L CA 1.905 56.718 54.840 -0.045 0.000 0.748 139 L CB -0.522 41.539 42.059 0.004 0.000 0.891 139 L HN 0.371 nan 8.230 nan 0.000 0.431 140 Y N 0.935 121.181 120.300 -0.089 0.000 2.097 140 Y HA -0.288 4.265 4.550 0.005 0.000 0.282 140 Y C 2.544 178.403 175.900 -0.069 0.000 1.152 140 Y CA 1.835 59.911 58.100 -0.040 0.000 1.136 140 Y CB -0.245 38.258 38.460 0.072 0.000 0.975 140 Y HN 0.173 nan 8.280 nan 0.000 0.498 141 E N 0.311 120.328 120.200 -0.306 0.000 2.110 141 E HA -0.171 4.182 4.350 0.005 0.000 0.193 141 E C 2.255 178.721 176.600 -0.223 0.000 0.988 141 E CA 1.375 57.559 56.400 -0.361 0.000 0.804 141 E CB -0.197 29.387 29.700 -0.193 0.000 0.745 141 E HN 0.536 nan 8.360 nan 0.000 0.458 142 I N 0.722 121.206 120.570 -0.144 0.000 2.333 142 I HA -0.108 4.064 4.170 0.005 0.000 0.246 142 I C 2.422 178.499 176.117 -0.066 0.000 1.106 142 I CA 0.861 62.107 61.300 -0.090 0.000 1.411 142 I CB -1.494 36.399 38.000 -0.178 0.000 1.082 142 I HN -0.075 nan 8.210 nan 0.000 0.420 143 A N 2.136 124.876 122.820 -0.134 0.000 1.933 143 A HA -0.203 4.120 4.320 0.005 0.000 0.218 143 A C 2.407 179.923 177.584 -0.114 0.000 1.175 143 A CA 1.577 53.547 52.037 -0.111 0.000 0.628 143 A CB -0.637 18.298 19.000 -0.109 0.000 0.814 143 A HN 0.533 nan 8.150 nan 0.000 0.444 144 R N -0.577 119.802 120.500 -0.200 0.000 2.148 144 R HA -0.033 4.310 4.340 0.005 0.000 0.227 144 R C 1.768 177.978 176.300 -0.150 0.000 1.103 144 R CA 1.350 57.335 56.100 -0.192 0.000 0.983 144 R CB -0.363 29.751 30.300 -0.310 0.000 0.874 144 R HN 0.435 nan 8.270 nan 0.000 0.451 145 R N -0.005 120.406 120.500 -0.149 0.000 2.275 145 R HA 0.097 4.440 4.340 0.005 0.000 0.199 145 R C 0.139 176.175 176.300 -0.440 0.000 0.989 145 R CA 0.523 56.482 56.100 -0.235 0.000 1.016 145 R CB 0.233 30.413 30.300 -0.201 0.000 0.918 145 R HN 0.396 nan 8.270 nan 0.000 0.473 146 H N -0.608 118.443 119.070 -0.032 0.000 2.439 146 H HA 0.175 4.734 4.556 0.005 0.000 0.228 146 H C -2.158 173.177 175.328 0.010 0.000 1.423 146 H CA -1.756 54.327 56.048 0.058 0.000 1.386 146 H CB 1.467 31.309 29.762 0.134 0.000 1.641 146 H HN -0.038 nan 8.280 nan 0.000 0.508 147 P HA -0.154 nan 4.420 nan 0.000 0.222 147 P C 0.636 177.670 177.300 -0.444 0.000 1.142 147 P CA 1.382 64.286 63.100 -0.326 0.000 0.788 147 P CB -0.044 31.344 31.700 -0.521 0.000 0.767 148 Y N -3.436 116.919 120.300 0.091 0.000 2.462 148 Y HA 0.223 4.776 4.550 0.006 0.000 0.261 148 Y C 1.000 177.007 175.900 0.178 0.000 1.146 148 Y CA -0.616 57.542 58.100 0.096 0.000 1.283 148 Y CB -0.386 38.111 38.460 0.063 0.000 1.090 148 Y HN -0.157 nan 8.280 nan 0.000 0.526 149 F N 1.313 121.364 119.950 0.168 0.000 2.541 149 F HA -0.008 4.522 4.527 0.006 0.000 0.378 149 F C 0.395 176.289 175.800 0.157 0.000 1.068 149 F CA -1.008 57.087 58.000 0.159 0.000 1.199 149 F CB 0.118 39.170 39.000 0.086 0.000 1.091 149 F HN 0.015 nan 8.300 nan 0.000 0.555 150 Y N 6.818 127.280 120.300 0.271 0.000 2.804 150 Y HA 0.064 4.617 4.550 0.005 0.000 0.338 150 Y C 1.060 177.136 175.900 0.293 0.000 1.252 150 Y CA -0.071 58.163 58.100 0.223 0.000 1.576 150 Y CB 0.347 38.902 38.460 0.157 0.000 1.223 150 Y HN 0.782 nan 8.280 nan 0.000 0.536 151 A N 7.642 130.298 122.820 -0.274 0.000 1.869 151 A HA -0.220 4.103 4.320 0.005 0.000 0.218 151 A C -0.274 177.100 177.584 -0.351 0.000 1.203 151 A CA 2.088 53.951 52.037 -0.290 0.000 0.638 151 A CB -1.888 16.914 19.000 -0.329 0.000 0.831 151 A HN 0.719 nan 8.150 nan 0.000 0.450 152 P HA -0.168 nan 4.420 nan 0.000 0.216 152 P C 1.378 178.429 177.300 -0.415 0.000 1.150 152 P CA 1.709 64.503 63.100 -0.510 0.000 0.843 152 P CB 0.016 31.501 31.700 -0.357 0.000 0.787 153 E N -0.684 119.591 120.200 0.125 0.000 2.106 153 E HA -0.153 4.200 4.350 0.005 0.000 0.192 153 E C 1.744 178.664 176.600 0.533 0.000 0.984 153 E CA 0.756 57.514 56.400 0.597 0.000 0.806 153 E CB -1.122 29.081 29.700 0.838 0.000 0.750 153 E HN -0.012 nan 8.360 nan 0.000 0.458 154 L N 0.308 121.690 121.223 0.264 0.000 2.141 154 L HA -0.014 4.329 4.340 0.005 0.000 0.209 154 L C 2.095 178.963 176.870 -0.002 0.000 1.094 154 L CA 1.401 56.223 54.840 -0.031 0.000 0.763 154 L CB -0.517 41.396 42.059 -0.243 0.000 0.908 154 L HN 0.315 nan 8.230 nan 0.000 0.437 155 L N -1.799 119.336 121.223 -0.147 0.000 2.093 155 L HA -0.221 4.122 4.340 0.005 0.000 0.208 155 L C 2.394 179.170 176.870 -0.156 0.000 1.085 155 L CA 1.435 56.142 54.840 -0.221 0.000 0.755 155 L CB -0.302 41.507 42.059 -0.416 0.000 0.904 155 L HN 0.243 nan 8.230 nan 0.000 0.435 156 F N -1.284 118.665 119.950 -0.002 0.000 2.216 156 F HA -0.262 4.268 4.527 0.005 0.000 0.300 156 F C 2.134 177.871 175.800 -0.104 0.000 1.085 156 F CA 0.930 58.856 58.000 -0.124 0.000 1.326 156 F CB -0.341 38.451 39.000 -0.347 0.000 1.027 156 F HN -0.006 nan 8.300 nan 0.000 0.497 157 F N 0.138 120.205 119.950 0.196 0.000 2.186 157 F HA -0.121 4.408 4.527 0.005 0.000 0.299 157 F C 2.480 178.444 175.800 0.274 0.000 1.090 157 F CA 0.982 59.105 58.000 0.206 0.000 1.307 157 F CB -0.999 38.101 39.000 0.168 0.000 1.019 157 F HN -0.101 nan 8.300 nan 0.000 0.489 158 A N 0.155 123.177 122.820 0.336 0.000 1.908 158 A HA -0.242 4.081 4.320 0.005 0.000 0.218 158 A C 2.207 179.952 177.584 0.269 0.000 1.181 158 A CA 1.903 54.089 52.037 0.250 0.000 0.627 158 A CB -0.640 18.419 19.000 0.098 0.000 0.818 158 A HN 0.353 nan 8.150 nan 0.000 0.445 159 K N -0.802 119.713 120.400 0.193 0.000 2.148 159 K HA -0.084 4.239 4.320 0.005 0.000 0.204 159 K C 2.238 178.933 176.600 0.158 0.000 1.050 159 K CA 1.268 57.653 56.287 0.164 0.000 0.942 159 K CB -0.155 32.423 32.500 0.129 0.000 0.724 159 K HN 0.387 nan 8.250 nan 0.000 0.446 160 R N -0.366 120.217 120.500 0.140 0.000 2.115 160 R HA -0.105 4.238 4.340 0.005 0.000 0.230 160 R C 1.947 178.276 176.300 0.048 0.000 1.111 160 R CA 1.321 57.448 56.100 0.046 0.000 0.976 160 R CB -0.184 30.094 30.300 -0.037 0.000 0.870 160 R HN 0.247 nan 8.270 nan 0.000 0.445 161 Y N 0.707 121.095 120.300 0.146 0.000 2.220 161 Y HA -0.175 4.378 4.550 0.005 0.000 0.291 161 Y C 2.486 178.547 175.900 0.268 0.000 1.129 161 Y CA 1.414 59.633 58.100 0.200 0.000 1.161 161 Y CB -0.012 38.578 38.460 0.217 0.000 0.997 161 Y HN -0.064 nan 8.280 nan 0.000 0.522 162 K N 0.297 120.920 120.400 0.371 0.000 2.032 162 K HA -0.228 4.095 4.320 0.005 0.000 0.209 162 K C 2.272 179.003 176.600 0.218 0.000 1.048 162 K CA 1.266 57.737 56.287 0.307 0.000 0.927 162 K CB -0.343 32.321 32.500 0.273 0.000 0.712 162 K HN 0.271 nan 8.250 nan 0.000 0.441 163 A N 1.000 123.912 122.820 0.155 0.000 1.908 163 A HA -0.167 4.156 4.320 0.005 0.000 0.218 163 A C 2.305 179.906 177.584 0.029 0.000 1.181 163 A CA 2.073 54.163 52.037 0.088 0.000 0.627 163 A CB -0.809 18.222 19.000 0.053 0.000 0.818 163 A HN 0.514 nan 8.150 nan 0.000 0.445 164 A N -1.550 121.258 122.820 -0.019 0.000 1.930 164 A HA 0.067 4.390 4.320 0.005 0.000 0.217 164 A C 1.934 179.362 177.584 -0.259 0.000 1.175 164 A CA 1.366 53.306 52.037 -0.160 0.000 0.627 164 A CB -0.645 18.192 19.000 -0.272 0.000 0.815 164 A HN 0.467 nan 8.150 nan 0.000 0.443 165 F N 0.236 120.038 119.950 -0.246 0.000 2.206 165 F HA -0.078 4.452 4.527 0.005 0.000 0.298 165 F C 2.729 178.300 175.800 -0.382 0.000 1.090 165 F CA 1.747 59.435 58.000 -0.520 0.000 1.323 165 F CB -0.644 37.642 39.000 -1.191 0.000 1.028 165 F HN 0.115 nan 8.300 nan 0.000 0.492 166 T N -0.710 113.847 114.554 0.005 0.000 2.708 166 T HA -0.229 4.124 4.350 0.005 0.000 0.266 166 T C 1.918 176.684 174.700 0.111 0.000 1.037 166 T CA 1.634 63.856 62.100 0.203 0.000 1.146 166 T CB -0.275 68.732 68.868 0.232 0.000 0.865 166 T HN 0.322 nan 8.240 nan 0.000 0.435 167 E N -0.329 119.893 120.200 0.037 0.000 2.047 167 E HA -0.130 4.223 4.350 0.005 0.000 0.191 167 E C 2.174 178.769 176.600 -0.009 0.000 0.987 167 E CA 1.200 57.607 56.400 0.012 0.000 0.799 167 E CB -0.087 29.604 29.700 -0.016 0.000 0.752 167 E HN 0.464 nan 8.360 nan 0.000 0.449 168 c N -0.030 118.535 118.600 -0.059 0.000 2.485 168 c HA 0.040 4.613 4.570 0.005 0.000 0.278 168 c C 2.551 176.622 174.090 -0.032 0.000 1.356 168 c CA -0.156 56.127 56.329 -0.076 0.000 1.747 168 c CB -0.636 41.774 42.510 -0.166 0.000 2.001 168 c HN 0.596 nan 8.230 nan 0.000 0.501 169 c N 1.034 119.642 118.600 0.013 0.000 2.485 169 c HA -0.018 4.555 4.570 0.005 0.000 0.283 169 c C 2.546 176.688 174.090 0.086 0.000 1.478 169 c CA 0.786 57.166 56.329 0.085 0.000 1.741 169 c CB -1.955 40.687 42.510 0.220 0.000 1.675 169 c HN 0.744 nan 8.230 nan 0.000 0.573 170 Q N -0.814 119.024 119.800 0.063 0.000 2.316 170 Q HA 0.403 4.746 4.340 0.005 0.000 0.235 170 Q C 1.124 177.139 176.000 0.024 0.000 0.863 170 Q CA 0.411 56.245 55.803 0.051 0.000 0.939 170 Q CB 0.186 28.962 28.738 0.064 0.000 1.108 170 Q HN 0.775 nan 8.270 nan 0.000 0.522 171 A N 0.784 123.611 122.820 0.012 0.000 2.492 171 A HA 0.536 4.859 4.320 0.005 0.000 0.236 171 A C 1.603 179.186 177.584 -0.001 0.000 1.078 171 A CA 0.593 52.629 52.037 -0.000 0.000 0.773 171 A CB -0.132 18.859 19.000 -0.015 0.000 1.023 171 A HN 0.496 nan 8.150 nan 0.000 0.504 172 A N -0.001 122.817 122.820 -0.004 0.000 1.873 172 A HA -0.000 4.323 4.320 0.005 0.000 0.215 172 A C 1.092 178.672 177.584 -0.006 0.000 1.186 172 A CA 1.872 53.907 52.037 -0.004 0.000 0.616 172 A CB -0.168 18.829 19.000 -0.004 0.000 0.823 172 A HN 0.757 nan 8.150 nan 0.000 0.442 173 D N -0.931 119.463 120.400 -0.011 0.000 2.514 173 D HA 0.372 5.015 4.640 0.005 0.000 0.267 173 D C 0.721 177.009 176.300 -0.020 0.000 1.165 173 D CA -0.243 53.749 54.000 -0.013 0.000 0.958 173 D CB 0.481 41.273 40.800 -0.014 0.000 0.992 173 D HN 0.136 nan 8.370 nan 0.000 0.506 174 K N 1.167 121.557 120.400 -0.018 0.000 2.030 174 K HA -0.264 4.059 4.320 0.005 0.000 0.222 174 K C 1.985 178.558 176.600 -0.045 0.000 1.056 174 K CA 2.250 58.520 56.287 -0.028 0.000 0.957 174 K CB -0.172 32.320 32.500 -0.012 0.000 0.727 174 K HN 0.376 nan 8.250 nan 0.000 0.452 175 A N 0.909 123.711 122.820 -0.031 0.000 1.892 175 A HA -0.229 4.094 4.320 0.005 0.000 0.218 175 A C 2.373 179.932 177.584 -0.042 0.000 1.188 175 A CA 2.418 54.434 52.037 -0.035 0.000 0.631 175 A CB -1.219 17.770 19.000 -0.017 0.000 0.822 175 A HN 0.415 nan 8.150 nan 0.000 0.447 176 A N -1.738 121.062 122.820 -0.033 0.000 2.076 176 A HA -0.165 4.158 4.320 0.005 0.000 0.220 176 A C 2.322 179.879 177.584 -0.044 0.000 1.160 176 A CA 1.861 53.879 52.037 -0.033 0.000 0.653 176 A CB -1.085 17.900 19.000 -0.025 0.000 0.801 176 A HN 0.830 nan 8.150 nan 0.000 0.455 177 c N -2.015 116.551 118.600 -0.057 0.000 2.587 177 c HA 0.262 4.835 4.570 0.005 0.000 0.287 177 c C 2.319 176.343 174.090 -0.110 0.000 1.374 177 c CA 0.849 57.135 56.329 -0.072 0.000 1.770 177 c CB -1.044 41.425 42.510 -0.067 0.000 2.137 177 c HN 0.533 nan 8.230 nan 0.000 0.550 178 L N 1.094 122.232 121.223 -0.141 0.000 1.988 178 L HA 0.068 4.411 4.340 0.005 0.000 0.207 178 L C 2.276 179.041 176.870 -0.175 0.000 1.071 178 L CA 1.898 56.606 54.840 -0.220 0.000 0.744 178 L CB -1.262 40.626 42.059 -0.285 0.000 0.893 178 L HN 0.263 nan 8.230 nan 0.000 0.433 179 L N 0.607 121.762 121.223 -0.113 0.000 2.030 179 L HA -0.228 4.115 4.340 0.005 0.000 0.222 179 L C -0.428 176.403 176.870 -0.065 0.000 1.082 179 L CA 2.865 57.662 54.840 -0.072 0.000 0.785 179 L CB -2.235 39.800 42.059 -0.041 0.000 0.895 179 L HN 0.311 nan 8.230 nan 0.000 0.439 180 P HA -0.175 nan 4.420 nan 0.000 0.220 180 P C 1.395 178.654 177.300 -0.067 0.000 1.148 180 P CA 1.470 64.540 63.100 -0.050 0.000 0.803 180 P CB 0.034 31.708 31.700 -0.043 0.000 0.782 181 K N -0.279 120.058 120.400 -0.106 0.000 2.062 181 K HA 0.015 4.338 4.320 0.005 0.000 0.205 181 K C 2.366 178.870 176.600 -0.160 0.000 1.051 181 K CA 0.904 57.107 56.287 -0.139 0.000 0.941 181 K CB -0.496 31.891 32.500 -0.189 0.000 0.719 181 K HN 0.148 nan 8.250 nan 0.000 0.440 182 L N 1.198 122.332 121.223 -0.147 0.000 2.046 182 L HA -0.219 4.124 4.340 0.005 0.000 0.208 182 L C 1.848 178.704 176.870 -0.022 0.000 1.077 182 L CA 1.105 55.895 54.840 -0.083 0.000 0.747 182 L CB -0.437 41.609 42.059 -0.022 0.000 0.896 182 L HN 0.190 nan 8.230 nan 0.000 0.432 183 D N -0.305 120.083 120.400 -0.020 0.000 2.178 183 D HA -0.205 4.438 4.640 0.005 0.000 0.201 183 D C 2.037 178.342 176.300 0.009 0.000 0.980 183 D CA 1.033 55.037 54.000 0.006 0.000 0.842 183 D CB 0.069 40.871 40.800 0.004 0.000 0.948 183 D HN 0.398 nan 8.370 nan 0.000 0.472 184 E N 0.263 120.455 120.200 -0.013 0.000 2.072 184 E HA -0.090 4.263 4.350 0.005 0.000 0.191 184 E C 2.351 178.970 176.600 0.031 0.000 0.985 184 E CA 0.311 56.714 56.400 0.005 0.000 0.801 184 E CB 0.048 29.739 29.700 -0.015 0.000 0.750 184 E HN 0.204 nan 8.360 nan 0.000 0.452 185 L N 0.564 121.773 121.223 -0.023 0.000 2.046 185 L HA -0.173 4.170 4.340 0.005 0.000 0.208 185 L C 2.927 179.866 176.870 0.114 0.000 1.077 185 L CA 0.972 55.821 54.840 0.015 0.000 0.747 185 L CB -0.502 41.340 42.059 -0.360 0.000 0.896 185 L HN 0.140 nan 8.230 nan 0.000 0.432 186 R N 0.491 121.049 120.500 0.097 0.000 2.080 186 R HA -0.203 4.140 4.340 0.005 0.000 0.236 186 R C 1.868 178.207 176.300 0.066 0.000 1.137 186 R CA 2.291 58.445 56.100 0.090 0.000 0.943 186 R CB -0.364 29.983 30.300 0.078 0.000 0.846 186 R HN 0.383 nan 8.270 nan 0.000 0.431 187 D N 0.393 120.838 120.400 0.075 0.000 2.104 187 D HA -0.168 4.475 4.640 0.005 0.000 0.194 187 D C 1.866 178.239 176.300 0.123 0.000 0.994 187 D CA 1.249 55.299 54.000 0.084 0.000 0.830 187 D CB -0.343 40.501 40.800 0.072 0.000 0.959 187 D HN 0.421 nan 8.370 nan 0.000 0.452 188 E N 0.307 120.611 120.200 0.174 0.000 2.085 188 E HA -0.139 4.214 4.350 0.005 0.000 0.194 188 E C 2.188 178.931 176.600 0.239 0.000 0.994 188 E CA 1.079 57.648 56.400 0.282 0.000 0.801 188 E CB -0.258 29.689 29.700 0.411 0.000 0.743 188 E HN 0.302 nan 8.360 nan 0.000 0.453 189 G N 1.544 110.354 108.800 0.016 0.000 2.421 189 G HA2 -0.280 3.683 3.960 0.005 0.000 0.216 189 G HA3 -0.280 3.683 3.960 0.005 0.000 0.216 189 G C 1.428 176.301 174.900 -0.045 0.000 1.171 189 G CA 0.797 45.710 45.100 -0.313 0.000 0.775 189 G HN 0.143 nan 8.290 nan 0.000 0.543 190 K N 0.680 121.087 120.400 0.010 0.000 2.026 190 K HA 0.018 4.340 4.320 0.005 0.000 0.208 190 K C 2.967 179.613 176.600 0.077 0.000 1.048 190 K CA 1.093 57.411 56.287 0.051 0.000 0.929 190 K CB -0.285 32.252 32.500 0.062 0.000 0.713 190 K HN 0.261 nan 8.250 nan 0.000 0.439 191 A N 1.081 123.964 122.820 0.104 0.000 1.877 191 A HA -0.213 4.110 4.320 0.005 0.000 0.216 191 A C 2.285 179.923 177.584 0.091 0.000 1.186 191 A CA 2.127 54.234 52.037 0.116 0.000 0.620 191 A CB -0.850 18.254 19.000 0.174 0.000 0.822 191 A HN 0.286 nan 8.150 nan 0.000 0.443 192 S N -0.784 114.992 115.700 0.127 0.000 2.370 192 S HA -0.165 4.308 4.470 0.005 0.000 0.226 192 S C 2.357 176.898 174.600 -0.098 0.000 1.033 192 S CA 2.005 60.258 58.200 0.089 0.000 1.011 192 S CB -0.459 62.913 63.200 0.288 0.000 0.852 192 S HN 0.647 nan 8.310 nan 0.000 0.457 193 S N 0.543 116.209 115.700 -0.056 0.000 2.368 193 S HA -0.002 4.471 4.470 0.005 0.000 0.225 193 S C 2.089 176.672 174.600 -0.028 0.000 1.030 193 S CA 1.417 59.564 58.200 -0.089 0.000 0.999 193 S CB -0.756 62.512 63.200 0.114 0.000 0.844 193 S HN 0.677 nan 8.310 nan 0.000 0.459 194 A N 1.502 124.332 122.820 0.017 0.000 1.902 194 A HA -0.088 4.235 4.320 0.005 0.000 0.217 194 A C 2.147 179.721 177.584 -0.017 0.000 1.181 194 A CA 1.588 53.635 52.037 0.016 0.000 0.623 194 A CB -0.587 18.434 19.000 0.035 0.000 0.818 194 A HN 0.608 nan 8.150 nan 0.000 0.443 195 K N -0.593 119.792 120.400 -0.026 0.000 2.063 195 K HA -0.205 4.118 4.320 0.005 0.000 0.208 195 K C 2.348 178.904 176.600 -0.073 0.000 1.048 195 K CA 1.705 57.961 56.287 -0.050 0.000 0.928 195 K CB -0.235 32.241 32.500 -0.041 0.000 0.713 195 K HN 0.617 nan 8.250 nan 0.000 0.442 196 Q N 0.344 120.093 119.800 -0.086 0.000 2.050 196 Q HA -0.144 4.199 4.340 0.005 0.000 0.202 196 Q C 2.211 178.175 176.000 -0.061 0.000 0.980 196 Q CA 1.419 57.172 55.803 -0.084 0.000 0.840 196 Q CB -0.030 28.622 28.738 -0.143 0.000 0.898 196 Q HN 0.275 nan 8.270 nan 0.000 0.424 197 R N 0.145 120.615 120.500 -0.050 0.000 2.081 197 R HA -0.150 4.193 4.340 0.005 0.000 0.235 197 R C 2.378 178.640 176.300 -0.063 0.000 1.131 197 R CA 1.035 57.103 56.100 -0.052 0.000 0.960 197 R CB -0.543 29.741 30.300 -0.027 0.000 0.856 197 R HN 0.187 nan 8.270 nan 0.000 0.436 198 L N 1.949 123.138 121.223 -0.057 0.000 1.989 198 L HA -0.207 4.136 4.340 0.005 0.000 0.211 198 L C 1.787 178.605 176.870 -0.085 0.000 1.071 198 L CA 1.909 56.712 54.840 -0.062 0.000 0.749 198 L CB -0.395 41.626 42.059 -0.063 0.000 0.890 198 L HN -0.026 nan 8.230 nan 0.000 0.431 199 K N -1.285 119.048 120.400 -0.111 0.000 2.152 199 K HA -0.181 4.142 4.320 0.005 0.000 0.206 199 K C 2.058 178.602 176.600 -0.094 0.000 1.048 199 K CA 1.644 57.850 56.287 -0.134 0.000 0.933 199 K CB -0.485 31.910 32.500 -0.175 0.000 0.721 199 K HN 0.475 nan 8.250 nan 0.000 0.447 200 c N 0.025 118.575 118.600 -0.083 0.000 2.492 200 c HA 0.106 4.679 4.570 0.005 0.000 0.279 200 c C 2.873 176.907 174.090 -0.093 0.000 1.335 200 c CA 0.387 56.666 56.329 -0.084 0.000 1.734 200 c CB -0.622 41.842 42.510 -0.076 0.000 2.027 200 c HN 0.531 nan 8.230 nan 0.000 0.496 201 A N 0.833 123.597 122.820 -0.093 0.000 1.902 201 A HA -0.157 4.166 4.320 0.005 0.000 0.217 201 A C 2.256 179.765 177.584 -0.126 0.000 1.181 201 A CA 2.327 54.299 52.037 -0.108 0.000 0.623 201 A CB -0.848 18.096 19.000 -0.092 0.000 0.818 201 A HN 0.532 nan 8.150 nan 0.000 0.443 202 S N -0.342 115.321 115.700 -0.063 0.000 2.370 202 S HA -0.121 4.352 4.470 0.005 0.000 0.226 202 S C 1.846 176.469 174.600 0.039 0.000 1.033 202 S CA 1.293 59.516 58.200 0.038 0.000 1.011 202 S CB -0.446 62.831 63.200 0.128 0.000 0.852 202 S HN 0.514 nan 8.310 nan 0.000 0.457 203 L N 1.176 122.399 121.223 0.001 0.000 2.083 203 L HA -0.234 4.109 4.340 0.005 0.000 0.209 203 L C 3.180 180.012 176.870 -0.064 0.000 1.083 203 L CA 1.890 56.721 54.840 -0.014 0.000 0.752 203 L CB -0.978 41.010 42.059 -0.117 0.000 0.899 203 L HN 0.529 nan 8.230 nan 0.000 0.433 204 Q N -0.102 119.630 119.800 -0.113 0.000 1.990 204 Q HA -0.230 4.113 4.340 0.005 0.000 0.200 204 Q C 2.307 178.202 176.000 -0.175 0.000 0.980 204 Q CA 2.135 57.860 55.803 -0.131 0.000 0.832 204 Q CB -0.926 27.731 28.738 -0.136 0.000 0.897 204 Q HN 0.418 nan 8.270 nan 0.000 0.427 205 K N -0.090 120.122 120.400 -0.312 0.000 1.969 205 K HA -0.065 4.257 4.320 0.005 0.000 0.223 205 K C 1.993 178.356 176.600 -0.394 0.000 1.048 205 K CA 1.681 57.662 56.287 -0.511 0.000 0.983 205 K CB -1.289 30.567 32.500 -1.072 0.000 0.738 205 K HN 0.743 nan 8.250 nan 0.000 0.446 206 F N 0.702 120.655 119.950 0.005 0.000 2.451 206 F HA 0.151 4.682 4.527 0.007 0.000 0.299 206 F C 1.609 177.430 175.800 0.036 0.000 1.101 206 F CA 0.520 58.535 58.000 0.024 0.000 1.436 206 F CB -0.637 38.385 39.000 0.036 0.000 1.074 206 F HN 0.545 nan 8.300 nan 0.000 0.553 207 G N 0.635 109.519 108.800 0.140 0.000 2.781 207 G HA2 -0.284 3.679 3.960 0.005 0.000 0.683 207 G HA3 -0.284 3.679 3.960 0.005 0.000 0.683 207 G C 0.312 175.298 174.900 0.143 0.000 1.390 207 G CA -0.024 45.139 45.100 0.105 0.000 0.850 207 G HN 0.300 nan 8.290 nan 0.000 0.557 208 E N -0.239 120.020 120.200 0.099 0.000 2.085 208 E HA -0.198 4.155 4.350 0.005 0.000 0.194 208 E C 2.501 179.219 176.600 0.196 0.000 0.994 208 E CA 1.537 58.012 56.400 0.125 0.000 0.801 208 E CB -0.054 29.684 29.700 0.065 0.000 0.743 208 E HN 0.546 nan 8.360 nan 0.000 0.453 209 R N 0.103 120.696 120.500 0.155 0.000 2.094 209 R HA -0.198 4.145 4.340 0.005 0.000 0.239 209 R C 2.269 178.675 176.300 0.177 0.000 1.137 209 R CA 1.692 57.884 56.100 0.153 0.000 0.943 209 R CB -0.436 29.937 30.300 0.122 0.000 0.850 209 R HN 0.213 nan 8.270 nan 0.000 0.433 210 A N 0.122 123.053 122.820 0.185 0.000 1.940 210 A HA -0.213 4.110 4.320 0.005 0.000 0.219 210 A C 2.045 179.757 177.584 0.215 0.000 1.176 210 A CA 1.519 53.663 52.037 0.178 0.000 0.631 210 A CB -0.823 18.285 19.000 0.180 0.000 0.814 210 A HN 0.584 nan 8.150 nan 0.000 0.446 211 F N 0.442 120.458 119.950 0.110 0.000 2.113 211 F HA -0.097 4.433 4.527 0.005 0.000 0.297 211 F C 2.192 178.071 175.800 0.131 0.000 1.103 211 F CA 2.060 60.114 58.000 0.090 0.000 1.248 211 F CB -0.159 38.863 39.000 0.037 0.000 0.999 211 F HN 0.088 nan 8.300 nan 0.000 0.475 212 K N 0.253 120.827 120.400 0.290 0.000 2.063 212 K HA -0.203 4.120 4.320 0.005 0.000 0.208 212 K C 2.274 178.924 176.600 0.083 0.000 1.048 212 K CA 1.275 57.675 56.287 0.188 0.000 0.928 212 K CB -0.562 32.058 32.500 0.200 0.000 0.713 212 K HN 0.391 nan 8.250 nan 0.000 0.442 213 A N 1.557 124.438 122.820 0.101 0.000 1.845 213 A HA -0.207 4.116 4.320 0.005 0.000 0.215 213 A C 1.920 179.521 177.584 0.028 0.000 1.195 213 A CA 1.273 53.354 52.037 0.072 0.000 0.616 213 A CB -1.103 17.943 19.000 0.077 0.000 0.832 213 A HN 0.596 nan 8.150 nan 0.000 0.443 214 W N 0.916 122.118 121.300 -0.163 0.000 2.304 214 W HA -0.288 4.374 4.660 0.004 0.000 0.315 214 W C 2.344 178.705 176.519 -0.263 0.000 1.233 214 W CA 2.738 59.947 57.345 -0.225 0.000 1.261 214 W CB -0.638 28.650 29.460 -0.288 0.000 1.150 214 W HN 0.431 nan 8.180 nan 0.000 0.494 215 A N -0.044 122.757 122.820 -0.032 0.000 1.930 215 A HA -0.137 4.186 4.320 0.005 0.000 0.217 215 A C 2.206 179.768 177.584 -0.037 0.000 1.175 215 A CA 2.186 54.174 52.037 -0.083 0.000 0.627 215 A CB -1.097 17.782 19.000 -0.202 0.000 0.815 215 A HN 0.111 nan 8.150 nan 0.000 0.443 216 V N -0.062 119.847 119.914 -0.009 0.000 2.287 216 V HA -0.284 3.839 4.120 0.005 0.000 0.248 216 V C 3.079 179.175 176.094 0.003 0.000 1.053 216 V CA 2.062 64.386 62.300 0.041 0.000 1.027 216 V CB -1.279 30.605 31.823 0.103 0.000 0.646 216 V HN 0.623 nan 8.190 nan 0.000 0.447 217 A N 0.098 122.867 122.820 -0.085 0.000 1.883 217 A HA -0.279 4.044 4.320 0.005 0.000 0.217 217 A C 2.308 179.773 177.584 -0.198 0.000 1.186 217 A CA 2.336 54.272 52.037 -0.170 0.000 0.624 217 A CB -0.570 18.253 19.000 -0.295 0.000 0.822 217 A HN 0.447 nan 8.150 nan 0.000 0.444 218 R N 0.001 120.365 120.500 -0.228 0.000 2.073 218 R HA 0.031 4.374 4.340 0.005 0.000 0.234 218 R C 1.909 178.097 176.300 -0.186 0.000 1.134 218 R CA 1.553 57.531 56.100 -0.203 0.000 0.952 218 R CB -0.795 29.431 30.300 -0.123 0.000 0.850 218 R HN 0.520 nan 8.270 nan 0.000 0.433 219 L N -0.090 121.058 121.223 -0.125 0.000 2.275 219 L HA -0.070 4.273 4.340 0.005 0.000 0.215 219 L C 1.943 178.749 176.870 -0.107 0.000 1.119 219 L CA 1.183 55.936 54.840 -0.145 0.000 0.790 219 L CB -0.244 41.837 42.059 0.037 0.000 0.919 219 L HN 0.211 nan 8.230 nan 0.000 0.443 220 S N -0.832 114.849 115.700 -0.033 0.000 2.425 220 S HA -0.110 4.363 4.470 0.005 0.000 0.225 220 S C 1.876 176.406 174.600 -0.117 0.000 1.024 220 S CA 0.688 58.895 58.200 0.010 0.000 0.951 220 S CB 0.058 63.287 63.200 0.049 0.000 0.796 220 S HN 0.447 nan 8.310 nan 0.000 0.498 221 Q N 0.728 120.424 119.800 -0.174 0.000 2.079 221 Q HA 0.000 4.343 4.340 0.005 0.000 0.200 221 Q C 2.340 178.218 176.000 -0.202 0.000 0.974 221 Q CA 1.043 56.731 55.803 -0.191 0.000 0.840 221 Q CB -0.098 28.525 28.738 -0.193 0.000 0.898 221 Q HN 0.316 nan 8.270 nan 0.000 0.430 222 R N -0.405 119.911 120.500 -0.306 0.000 2.090 222 R HA -0.048 4.295 4.340 0.005 0.000 0.228 222 R C -0.004 176.097 176.300 -0.332 0.000 1.110 222 R CA 0.852 56.691 56.100 -0.435 0.000 0.973 222 R CB 0.363 30.217 30.300 -0.743 0.000 0.869 222 R HN 0.058 nan 8.270 nan 0.000 0.440 223 F N 0.885 120.827 119.950 -0.014 0.000 2.532 223 F HA 0.351 4.882 4.527 0.006 0.000 0.313 223 F C -1.703 174.101 175.800 0.007 0.000 1.301 223 F CA -3.205 54.798 58.000 0.006 0.000 1.154 223 F CB 1.241 40.262 39.000 0.036 0.000 1.335 223 F HN -0.044 nan 8.300 nan 0.000 0.542 224 P HA -0.219 nan 4.420 nan 0.000 0.218 224 P C 0.847 178.172 177.300 0.041 0.000 1.146 224 P CA 1.569 64.664 63.100 -0.007 0.000 0.813 224 P CB 0.325 31.977 31.700 -0.079 0.000 0.778 225 K N -0.688 119.765 120.400 0.088 0.000 2.444 225 K HA 0.244 4.567 4.320 0.005 0.000 0.193 225 K C 1.142 177.815 176.600 0.121 0.000 1.024 225 K CA -0.176 56.160 56.287 0.081 0.000 1.077 225 K CB 0.094 32.622 32.500 0.048 0.000 0.833 225 K HN 0.102 nan 8.250 nan 0.000 0.517 226 A N 1.608 124.535 122.820 0.178 0.000 2.322 226 A HA 0.120 4.443 4.320 0.005 0.000 0.269 226 A C -0.051 177.677 177.584 0.240 0.000 1.094 226 A CA -0.458 51.675 52.037 0.161 0.000 0.807 226 A CB 0.500 19.588 19.000 0.146 0.000 1.047 226 A HN 0.056 nan 8.150 nan 0.000 0.487 227 E N -0.077 120.206 120.200 0.138 0.000 2.373 227 E HA 0.155 4.508 4.350 0.005 0.000 0.263 227 E C 0.740 177.317 176.600 -0.038 0.000 1.073 227 E CA -0.091 56.376 56.400 0.111 0.000 0.894 227 E CB 0.833 30.573 29.700 0.068 0.000 1.008 227 E HN 0.619 nan 8.360 nan 0.000 0.420 228 F N 1.687 121.371 119.950 -0.443 0.000 2.192 228 F HA -0.181 4.349 4.527 0.005 0.000 0.301 228 F C 2.127 177.764 175.800 -0.272 0.000 1.079 228 F CA 1.951 59.516 58.000 -0.725 0.000 1.303 228 F CB -0.496 38.042 39.000 -0.768 0.000 1.024 228 F HN 0.582 nan 8.300 nan 0.000 0.494 229 A N -0.441 122.257 122.820 -0.205 0.000 1.969 229 A HA -0.174 4.149 4.320 0.005 0.000 0.218 229 A C 2.068 179.538 177.584 -0.189 0.000 1.169 229 A CA 1.692 53.608 52.037 -0.201 0.000 0.635 229 A CB -0.769 18.213 19.000 -0.030 0.000 0.810 229 A HN 0.453 nan 8.150 nan 0.000 0.445 230 E N -0.177 119.956 120.200 -0.111 0.000 2.047 230 E HA -0.093 4.260 4.350 0.005 0.000 0.191 230 E C 1.870 178.433 176.600 -0.062 0.000 0.987 230 E CA 1.376 57.755 56.400 -0.035 0.000 0.799 230 E CB -0.362 29.346 29.700 0.014 0.000 0.752 230 E HN 0.210 nan 8.360 nan 0.000 0.449 231 V N 0.437 120.289 119.914 -0.104 0.000 2.392 231 V HA -0.294 3.829 4.120 0.005 0.000 0.249 231 V C 2.273 178.257 176.094 -0.184 0.000 1.059 231 V CA 2.032 64.290 62.300 -0.070 0.000 1.051 231 V CB -0.621 31.180 31.823 -0.037 0.000 0.658 231 V HN 0.250 nan 8.190 nan 0.000 0.455 232 S N -0.156 115.299 115.700 -0.409 0.000 2.355 232 S HA -0.238 4.235 4.470 0.005 0.000 0.222 232 S C 1.989 176.487 174.600 -0.171 0.000 1.031 232 S CA 1.786 59.767 58.200 -0.366 0.000 0.993 232 S CB -0.378 62.505 63.200 -0.527 0.000 0.859 232 S HN 0.597 nan 8.310 nan 0.000 0.453 233 K N 2.079 122.389 120.400 -0.150 0.000 2.034 233 K HA -0.090 4.233 4.320 0.005 0.000 0.214 233 K C 1.830 178.367 176.600 -0.104 0.000 1.051 233 K CA 1.608 57.825 56.287 -0.117 0.000 0.931 233 K CB -0.948 31.492 32.500 -0.099 0.000 0.715 233 K HN 0.350 nan 8.250 nan 0.000 0.446 234 L N -0.016 121.176 121.223 -0.052 0.000 2.046 234 L HA -0.163 4.180 4.340 0.005 0.000 0.208 234 L C 2.412 179.308 176.870 0.043 0.000 1.077 234 L CA 1.144 55.990 54.840 0.010 0.000 0.747 234 L CB -0.510 41.611 42.059 0.103 0.000 0.896 234 L HN 0.041 nan 8.230 nan 0.000 0.432 235 V N -0.589 119.348 119.914 0.038 0.000 2.407 235 V HA -0.268 3.855 4.120 0.005 0.000 0.248 235 V C 2.537 178.694 176.094 0.105 0.000 1.055 235 V CA 2.193 64.544 62.300 0.084 0.000 1.049 235 V CB -0.607 31.246 31.823 0.049 0.000 0.662 235 V HN 0.487 nan 8.190 nan 0.000 0.455 236 T N -0.053 114.522 114.554 0.036 0.000 2.614 236 T HA -0.195 4.158 4.350 0.005 0.000 0.263 236 T C 1.663 176.379 174.700 0.026 0.000 1.055 236 T CA 1.854 63.970 62.100 0.027 0.000 1.162 236 T CB -0.414 68.442 68.868 -0.021 0.000 0.863 236 T HN 0.488 nan 8.240 nan 0.000 0.414 237 D N 1.013 121.405 120.400 -0.014 0.000 2.123 237 D HA -0.052 4.591 4.640 0.005 0.000 0.196 237 D C 2.004 178.320 176.300 0.026 0.000 0.992 237 D CA 0.526 54.510 54.000 -0.026 0.000 0.833 237 D CB -0.583 40.162 40.800 -0.092 0.000 0.954 237 D HN 0.157 nan 8.370 nan 0.000 0.455 238 L N 0.711 121.989 121.223 0.091 0.000 2.127 238 L HA -0.128 4.215 4.340 0.005 0.000 0.211 238 L C 2.061 179.078 176.870 0.245 0.000 1.089 238 L CA 1.577 56.527 54.840 0.183 0.000 0.757 238 L CB -0.659 41.565 42.059 0.274 0.000 0.899 238 L HN -0.060 nan 8.230 nan 0.000 0.434 239 T N -0.725 113.961 114.554 0.219 0.000 2.857 239 T HA -0.178 4.175 4.350 0.005 0.000 0.266 239 T C 1.844 176.501 174.700 -0.072 0.000 1.048 239 T CA 1.489 63.626 62.100 0.061 0.000 1.139 239 T CB -0.091 68.846 68.868 0.115 0.000 0.874 239 T HN 0.376 nan 8.240 nan 0.000 0.455 240 K N 1.043 121.428 120.400 -0.025 0.000 2.002 240 K HA -0.090 4.233 4.320 0.005 0.000 0.209 240 K C 2.200 178.761 176.600 -0.064 0.000 1.048 240 K CA 1.202 57.462 56.287 -0.046 0.000 0.930 240 K CB -0.411 32.071 32.500 -0.029 0.000 0.714 240 K HN 0.119 nan 8.250 nan 0.000 0.438 241 V N 1.621 121.491 119.914 -0.073 0.000 2.252 241 V HA -0.297 3.826 4.120 0.005 0.000 0.249 241 V C 2.495 178.459 176.094 -0.216 0.000 1.056 241 V CA 2.111 64.327 62.300 -0.140 0.000 1.022 241 V CB -0.798 30.918 31.823 -0.177 0.000 0.641 241 V HN 0.468 nan 8.190 nan 0.000 0.445 242 H N -0.114 118.892 119.070 -0.106 0.000 2.389 242 H HA -0.096 4.464 4.556 0.006 0.000 0.299 242 H C 2.507 177.721 175.328 -0.189 0.000 1.081 242 H CA 1.951 57.902 56.048 -0.162 0.000 1.345 242 H CB -0.424 29.194 29.762 -0.239 0.000 1.393 242 H HN 0.434 nan 8.280 nan 0.000 0.520 243 T N 0.488 114.970 114.554 -0.119 0.000 2.652 243 T HA -0.160 4.193 4.350 0.005 0.000 0.267 243 T C 2.217 176.898 174.700 -0.033 0.000 1.039 243 T CA 1.748 63.781 62.100 -0.112 0.000 1.153 243 T CB -0.156 68.641 68.868 -0.119 0.000 0.863 243 T HN 0.373 nan 8.240 nan 0.000 0.428 244 E N 0.212 120.400 120.200 -0.019 0.000 2.038 244 E HA -0.147 4.206 4.350 0.005 0.000 0.195 244 E C 2.572 179.207 176.600 0.057 0.000 1.000 244 E CA 1.236 57.661 56.400 0.041 0.000 0.803 244 E CB -1.090 28.622 29.700 0.020 0.000 0.750 244 E HN 0.700 nan 8.360 nan 0.000 0.448 245 c N 0.074 118.670 118.600 -0.008 0.000 2.409 245 c HA -0.116 4.457 4.570 0.005 0.000 0.284 245 c C 2.853 176.980 174.090 0.062 0.000 1.354 245 c CA 0.444 56.773 56.329 -0.000 0.000 1.787 245 c CB -1.463 40.977 42.510 -0.117 0.000 1.900 245 c HN 0.644 nan 8.230 nan 0.000 0.520 246 c N -1.274 117.362 118.600 0.060 0.000 2.467 246 c HA -0.093 4.480 4.570 0.005 0.000 0.279 246 c C 2.561 176.725 174.090 0.123 0.000 1.347 246 c CA 0.821 57.187 56.329 0.061 0.000 1.748 246 c CB -1.770 40.742 42.510 0.002 0.000 1.977 246 c HN 0.720 nan 8.230 nan 0.000 0.501 247 H N 0.231 119.309 119.070 0.014 0.000 2.457 247 H HA -0.037 4.522 4.556 0.005 0.000 0.297 247 H C 1.911 177.293 175.328 0.091 0.000 1.092 247 H CA 1.099 57.166 56.048 0.032 0.000 1.309 247 H CB -0.065 29.712 29.762 0.025 0.000 1.382 247 H HN 0.557 nan 8.280 nan 0.000 0.535 248 G N 0.453 109.334 108.800 0.134 0.000 2.238 248 G HA2 -0.255 3.708 3.960 0.005 0.000 0.217 248 G HA3 -0.255 3.708 3.960 0.005 0.000 0.217 248 G C 0.043 174.966 174.900 0.039 0.000 0.996 248 G CA 0.177 45.345 45.100 0.113 0.000 0.632 248 G HN 0.546 nan 8.290 nan 0.000 0.503 249 D N 1.567 121.951 120.400 -0.028 0.000 2.342 249 D HA 0.238 4.881 4.640 0.005 0.000 0.260 249 D C 1.819 178.150 176.300 0.053 0.000 1.278 249 D CA -0.097 53.919 54.000 0.026 0.000 0.910 249 D CB 0.852 41.678 40.800 0.042 0.000 1.079 249 D HN 0.183 nan 8.370 nan 0.000 0.496 250 L N 5.872 127.108 121.223 0.023 0.000 1.990 250 L HA -0.244 4.099 4.340 0.005 0.000 0.213 250 L C 2.000 178.873 176.870 0.005 0.000 1.072 250 L CA 1.788 56.639 54.840 0.018 0.000 0.755 250 L CB -0.584 41.413 42.059 -0.103 0.000 0.889 250 L HN 0.566 nan 8.230 nan 0.000 0.432 251 L N -0.734 120.433 121.223 -0.094 0.000 2.012 251 L HA -0.195 4.148 4.340 0.005 0.000 0.210 251 L C 2.727 179.625 176.870 0.047 0.000 1.073 251 L CA 1.461 56.256 54.840 -0.075 0.000 0.748 251 L CB -0.919 41.004 42.059 -0.226 0.000 0.891 251 L HN 0.334 nan 8.230 nan 0.000 0.431 252 E N -0.380 119.879 120.200 0.098 0.000 2.058 252 E HA -0.275 4.078 4.350 0.005 0.000 0.194 252 E C 2.282 178.926 176.600 0.074 0.000 0.997 252 E CA 1.642 58.103 56.400 0.102 0.000 0.801 252 E CB -0.878 28.885 29.700 0.106 0.000 0.746 252 E HN 0.552 nan 8.360 nan 0.000 0.450 253 c N 1.252 119.900 118.600 0.079 0.000 2.413 253 c HA -0.123 4.450 4.570 0.005 0.000 0.276 253 c C 2.966 177.111 174.090 0.092 0.000 1.236 253 c CA 1.547 57.912 56.329 0.061 0.000 1.735 253 c CB -1.071 41.498 42.510 0.099 0.000 2.031 253 c HN 0.490 nan 8.230 nan 0.000 0.474 254 A N 0.223 123.148 122.820 0.175 0.000 1.908 254 A HA -0.195 4.128 4.320 0.005 0.000 0.218 254 A C 1.921 179.577 177.584 0.121 0.000 1.181 254 A CA 2.328 54.483 52.037 0.196 0.000 0.627 254 A CB -0.755 18.325 19.000 0.133 0.000 0.818 254 A HN 0.704 nan 8.150 nan 0.000 0.445 255 D N -0.029 120.425 120.400 0.089 0.000 2.149 255 D HA -0.098 4.545 4.640 0.005 0.000 0.201 255 D C 1.297 177.634 176.300 0.062 0.000 0.972 255 D CA 1.221 55.268 54.000 0.078 0.000 0.835 255 D CB -0.408 40.435 40.800 0.072 0.000 0.966 255 D HN 0.367 nan 8.370 nan 0.000 0.476 256 D N 0.726 121.152 120.400 0.043 0.000 2.117 256 D HA -0.099 4.544 4.640 0.005 0.000 0.197 256 D C 2.173 178.481 176.300 0.013 0.000 0.987 256 D CA 0.700 54.710 54.000 0.016 0.000 0.829 256 D CB -0.110 40.683 40.800 -0.012 0.000 0.961 256 D HN 0.193 nan 8.370 nan 0.000 0.460 257 R N 0.585 121.092 120.500 0.012 0.000 2.075 257 R HA 0.001 4.344 4.340 0.005 0.000 0.232 257 R C 2.311 178.652 176.300 0.070 0.000 1.126 257 R CA 1.144 57.255 56.100 0.018 0.000 0.963 257 R CB -0.227 30.080 30.300 0.012 0.000 0.858 257 R HN 0.092 nan 8.270 nan 0.000 0.435 258 A N 1.582 124.457 122.820 0.091 0.000 1.877 258 A HA -0.208 4.115 4.320 0.005 0.000 0.216 258 A C 1.550 179.191 177.584 0.094 0.000 1.186 258 A CA 1.848 53.946 52.037 0.102 0.000 0.620 258 A CB -0.468 18.596 19.000 0.107 0.000 0.822 258 A HN 0.157 nan 8.150 nan 0.000 0.443 259 D N -0.360 120.090 120.400 0.083 0.000 2.106 259 D HA -0.162 4.481 4.640 0.005 0.000 0.191 259 D C 1.835 178.200 176.300 0.108 0.000 0.997 259 D CA 1.425 55.477 54.000 0.087 0.000 0.834 259 D CB -0.590 40.248 40.800 0.062 0.000 0.956 259 D HN 0.284 nan 8.370 nan 0.000 0.448 260 L N 0.938 122.211 121.223 0.083 0.000 2.043 260 L HA -0.161 4.182 4.340 0.005 0.000 0.212 260 L C 2.098 179.057 176.870 0.149 0.000 1.075 260 L CA 1.949 56.850 54.840 0.102 0.000 0.752 260 L CB -1.007 41.087 42.059 0.058 0.000 0.891 260 L HN 0.013 nan 8.230 nan 0.000 0.432 261 A N -0.056 122.834 122.820 0.116 0.000 1.933 261 A HA -0.240 4.083 4.320 0.005 0.000 0.218 261 A C 2.263 179.905 177.584 0.097 0.000 1.175 261 A CA 1.913 54.014 52.037 0.107 0.000 0.628 261 A CB -0.571 18.489 19.000 0.100 0.000 0.814 261 A HN 0.681 nan 8.150 nan 0.000 0.444 262 K N -1.770 118.692 120.400 0.103 0.000 2.025 262 K HA -0.191 4.132 4.320 0.005 0.000 0.207 262 K C 2.052 178.692 176.600 0.068 0.000 1.049 262 K CA 1.584 57.918 56.287 0.078 0.000 0.933 262 K CB -0.735 31.816 32.500 0.085 0.000 0.714 262 K HN 0.373 nan 8.250 nan 0.000 0.438 263 Y N 2.199 122.508 120.300 0.015 0.000 2.114 263 Y HA -0.240 4.313 4.550 0.005 0.000 0.282 263 Y C 1.989 177.882 175.900 -0.013 0.000 1.165 263 Y CA 1.786 59.888 58.100 0.003 0.000 1.148 263 Y CB -0.219 38.244 38.460 0.005 0.000 0.972 263 Y HN -0.005 nan 8.280 nan 0.000 0.504 264 I N -0.898 119.716 120.570 0.073 0.000 2.163 264 I HA -0.421 3.752 4.170 0.005 0.000 0.243 264 I C 2.488 178.520 176.117 -0.142 0.000 1.085 264 I CA 1.530 62.807 61.300 -0.039 0.000 1.347 264 I CB -0.654 37.382 38.000 0.059 0.000 1.044 264 I HN 0.378 nan 8.210 nan 0.000 0.408 265 c N 0.518 119.070 118.600 -0.080 0.000 2.435 265 c HA -0.103 4.470 4.570 0.005 0.000 0.279 265 c C 2.579 176.601 174.090 -0.115 0.000 1.321 265 c CA 0.597 56.879 56.329 -0.077 0.000 1.752 265 c CB -1.058 41.436 42.510 -0.027 0.000 1.959 265 c HN 0.492 nan 8.230 nan 0.000 0.500 266 E N 0.754 120.863 120.200 -0.152 0.000 2.150 266 E HA -0.116 4.237 4.350 0.005 0.000 0.193 266 E C 0.979 177.452 176.600 -0.213 0.000 0.985 266 E CA 0.895 57.199 56.400 -0.160 0.000 0.814 266 E CB -0.277 29.328 29.700 -0.158 0.000 0.752 266 E HN 0.763 nan 8.360 nan 0.000 0.466 267 N N 1.089 119.597 118.700 -0.320 0.000 2.238 267 N HA -0.012 4.731 4.740 0.005 0.000 0.222 267 N C 1.413 176.787 175.510 -0.226 0.000 1.133 267 N CA -0.159 52.711 53.050 -0.301 0.000 0.854 267 N CB 0.394 38.603 38.487 -0.463 0.000 1.041 267 N HN 0.215 nan 8.380 nan 0.000 0.510 268 Q N 1.647 121.335 119.800 -0.188 0.000 2.112 268 Q HA -0.235 4.108 4.340 0.005 0.000 0.206 268 Q C 1.030 176.946 176.000 -0.140 0.000 0.987 268 Q CA 1.791 57.495 55.803 -0.166 0.000 0.858 268 Q CB -0.462 28.206 28.738 -0.117 0.000 0.905 268 Q HN 0.382 nan 8.270 nan 0.000 0.420 269 D N 1.280 121.617 120.400 -0.106 0.000 2.378 269 D HA -0.108 4.535 4.640 0.005 0.000 0.222 269 D C 1.282 177.536 176.300 -0.076 0.000 0.980 269 D CA 1.212 55.165 54.000 -0.078 0.000 0.907 269 D CB -0.022 40.743 40.800 -0.057 0.000 0.899 269 D HN 0.409 nan 8.370 nan 0.000 0.527 270 S N -1.104 114.537 115.700 -0.100 0.000 2.593 270 S HA 0.318 4.791 4.470 0.005 0.000 0.236 270 S C 1.296 175.835 174.600 -0.103 0.000 0.991 270 S CA -0.616 57.537 58.200 -0.078 0.000 0.963 270 S CB -0.187 62.972 63.200 -0.068 0.000 0.865 270 S HN 0.261 nan 8.310 nan 0.000 0.488 271 I N -0.147 120.319 120.570 -0.173 0.000 3.878 271 I HA 0.350 4.523 4.170 0.005 0.000 0.273 271 I C 0.504 176.423 176.117 -0.330 0.000 1.165 271 I CA 0.088 61.202 61.300 -0.311 0.000 1.360 271 I CB 1.031 38.735 38.000 -0.494 0.000 1.539 271 I HN 0.352 nan 8.210 nan 0.000 0.447 272 S N -0.491 115.057 115.700 -0.253 0.000 2.558 272 S HA 0.175 4.648 4.470 0.005 0.000 0.277 272 S C 0.302 174.871 174.600 -0.051 0.000 1.143 272 S CA -0.020 58.124 58.200 -0.094 0.000 0.865 272 S CB 1.306 64.504 63.200 -0.004 0.000 1.102 272 S HN 0.226 nan 8.310 nan 0.000 0.454 273 S N 2.430 118.129 115.700 -0.002 0.000 2.562 273 S HA 0.171 4.644 4.470 0.005 0.000 0.221 273 S C 0.890 175.496 174.600 0.009 0.000 0.975 273 S CA -0.076 58.122 58.200 -0.004 0.000 0.918 273 S CB -0.175 63.026 63.200 0.001 0.000 0.772 273 S HN 0.615 nan 8.310 nan 0.000 0.531 274 K N 1.181 121.602 120.400 0.035 0.000 2.404 274 K HA 0.320 4.643 4.320 0.005 0.000 0.194 274 K C 0.906 177.531 176.600 0.041 0.000 1.023 274 K CA 0.083 56.396 56.287 0.044 0.000 1.094 274 K CB -0.116 32.426 32.500 0.070 0.000 0.841 274 K HN 0.467 nan 8.250 nan 0.000 0.523 275 L N 0.631 121.867 121.223 0.023 0.000 2.591 275 L HA 0.011 4.354 4.340 0.005 0.000 0.228 275 L C 2.565 179.437 176.870 0.002 0.000 1.133 275 L CA 0.202 55.050 54.840 0.014 0.000 0.880 275 L CB -0.848 41.198 42.059 -0.022 0.000 1.033 275 L HN 0.068 nan 8.230 nan 0.000 0.450 276 K N 1.312 121.711 120.400 -0.000 0.000 1.977 276 K HA -0.274 4.049 4.320 0.005 0.000 0.218 276 K C 1.938 178.541 176.600 0.004 0.000 1.051 276 K CA 2.133 58.419 56.287 -0.002 0.000 0.953 276 K CB -1.053 31.446 32.500 -0.002 0.000 0.727 276 K HN 0.502 nan 8.250 nan 0.000 0.445 277 E N -0.281 119.923 120.200 0.008 0.000 2.049 277 E HA -0.222 4.131 4.350 0.005 0.000 0.198 277 E C 2.218 178.826 176.600 0.014 0.000 1.007 277 E CA 1.826 58.232 56.400 0.010 0.000 0.809 277 E CB -0.517 29.189 29.700 0.009 0.000 0.749 277 E HN 0.589 nan 8.360 nan 0.000 0.450 278 c N 0.346 118.956 118.600 0.016 0.000 2.401 278 c HA -0.195 4.378 4.570 0.005 0.000 0.276 278 c C 2.832 176.937 174.090 0.026 0.000 1.233 278 c CA 0.891 57.233 56.329 0.022 0.000 1.753 278 c CB -1.032 41.494 42.510 0.027 0.000 2.029 278 c HN 0.665 nan 8.230 nan 0.000 0.478 279 c N 0.278 118.888 118.600 0.018 0.000 2.522 279 c HA -0.017 4.556 4.570 0.005 0.000 0.271 279 c C 2.311 176.411 174.090 0.018 0.000 1.425 279 c CA 0.600 56.939 56.329 0.016 0.000 1.751 279 c CB -1.583 40.927 42.510 -0.000 0.000 1.775 279 c HN 0.644 nan 8.230 nan 0.000 0.557 280 E N 0.551 120.762 120.200 0.017 0.000 2.190 280 E HA -0.002 4.351 4.350 0.005 0.000 0.191 280 E C 0.745 177.360 176.600 0.026 0.000 0.978 280 E CA 0.295 56.706 56.400 0.018 0.000 0.839 280 E CB 0.184 29.892 29.700 0.014 0.000 0.787 280 E HN 0.620 nan 8.360 nan 0.000 0.473 281 K N 1.725 122.143 120.400 0.031 0.000 2.344 281 K HA 0.039 4.362 4.320 0.005 0.000 0.260 281 K C -2.426 174.205 176.600 0.052 0.000 0.988 281 K CA -1.153 55.159 56.287 0.041 0.000 0.909 281 K CB -0.246 32.281 32.500 0.044 0.000 0.968 281 K HN -0.125 nan 8.250 nan 0.000 0.505 282 P HA -0.110 nan 4.420 nan 0.000 0.266 282 P C 0.891 178.243 177.300 0.086 0.000 1.195 282 P CA -0.142 62.998 63.100 0.065 0.000 0.768 282 P CB 0.419 32.160 31.700 0.068 0.000 0.838 283 L N 3.322 124.588 121.223 0.072 0.000 2.123 283 L HA -0.210 4.133 4.340 0.005 0.000 0.217 283 L C 1.437 178.381 176.870 0.123 0.000 1.081 283 L CA 2.294 57.185 54.840 0.085 0.000 0.772 283 L CB -1.088 41.008 42.059 0.061 0.000 0.890 283 L HN 0.365 nan 8.230 nan 0.000 0.437 284 L N -0.149 121.151 121.223 0.129 0.000 2.291 284 L HA -0.086 4.257 4.340 0.005 0.000 0.214 284 L C 2.230 179.338 176.870 0.396 0.000 1.120 284 L CA 1.432 56.381 54.840 0.181 0.000 0.799 284 L CB -0.268 41.846 42.059 0.092 0.000 0.925 284 L HN 0.321 nan 8.230 nan 0.000 0.446 285 E N -1.760 118.632 120.200 0.320 0.000 2.447 285 E HA -0.021 4.332 4.350 0.005 0.000 0.204 285 E C 1.697 178.385 176.600 0.148 0.000 0.977 285 E CA -0.151 56.412 56.400 0.271 0.000 0.950 285 E CB 0.326 30.115 29.700 0.149 0.000 0.975 285 E HN 0.366 nan 8.360 nan 0.000 0.496 286 K N 0.957 121.444 120.400 0.144 0.000 2.000 286 K HA -0.190 4.133 4.320 0.005 0.000 0.218 286 K C 2.268 178.934 176.600 0.110 0.000 1.053 286 K CA 1.797 58.148 56.287 0.106 0.000 0.946 286 K CB -0.247 32.312 32.500 0.099 0.000 0.723 286 K HN -0.076 nan 8.250 nan 0.000 0.446 287 S N 0.067 115.857 115.700 0.151 0.000 2.380 287 S HA -0.275 4.198 4.470 0.005 0.000 0.229 287 S C 1.880 176.550 174.600 0.117 0.000 1.050 287 S CA 1.958 60.245 58.200 0.146 0.000 1.100 287 S CB -0.579 62.739 63.200 0.196 0.000 0.984 287 S HN 0.406 nan 8.310 nan 0.000 0.434 288 H N 0.069 119.167 119.070 0.046 0.000 2.319 288 H HA -0.153 4.406 4.556 0.005 0.000 0.297 288 H C 2.546 177.820 175.328 -0.091 0.000 1.097 288 H CA 1.993 58.000 56.048 -0.068 0.000 1.285 288 H CB -0.879 28.646 29.762 -0.395 0.000 1.368 288 H HN 0.458 nan 8.280 nan 0.000 0.495 289 c N -0.013 118.552 118.600 -0.057 0.000 2.413 289 c HA -0.157 4.416 4.570 0.005 0.000 0.278 289 c C 2.877 176.930 174.090 -0.061 0.000 1.224 289 c CA 1.359 57.646 56.329 -0.069 0.000 1.732 289 c CB -1.379 41.129 42.510 -0.004 0.000 2.050 289 c HN 0.697 nan 8.230 nan 0.000 0.463 290 I N 1.518 122.088 120.570 0.001 0.000 2.194 290 I HA -0.233 3.940 4.170 0.005 0.000 0.246 290 I C 2.781 178.913 176.117 0.026 0.000 1.093 290 I CA 1.850 63.179 61.300 0.048 0.000 1.355 290 I CB -0.720 37.334 38.000 0.090 0.000 1.046 290 I HN 0.451 nan 8.210 nan 0.000 0.413 291 A N 0.051 122.858 122.820 -0.023 0.000 2.125 291 A HA -0.177 4.146 4.320 0.005 0.000 0.219 291 A C 2.030 179.554 177.584 -0.099 0.000 1.156 291 A CA 1.529 53.540 52.037 -0.043 0.000 0.671 291 A CB -0.431 18.537 19.000 -0.053 0.000 0.794 291 A HN 0.537 nan 8.150 nan 0.000 0.459 292 E N -0.897 119.218 120.200 -0.142 0.000 2.498 292 E HA 0.158 4.511 4.350 0.005 0.000 0.203 292 E C 0.014 176.563 176.600 -0.085 0.000 1.013 292 E CA -0.346 55.970 56.400 -0.141 0.000 0.927 292 E CB 0.408 29.983 29.700 -0.207 0.000 1.012 292 E HN 0.286 nan 8.360 nan 0.000 0.482 293 V N 2.504 122.391 119.914 -0.045 0.000 2.814 293 V HA -0.115 4.008 4.120 0.005 0.000 0.307 293 V C 0.364 176.439 176.094 -0.031 0.000 1.089 293 V CA 0.655 62.951 62.300 -0.007 0.000 1.212 293 V CB 1.095 32.960 31.823 0.071 0.000 0.912 293 V HN 0.134 nan 8.190 nan 0.000 0.497 294 E N 5.816 126.005 120.200 -0.018 0.000 2.392 294 E HA 0.112 4.465 4.350 0.005 0.000 0.259 294 E C 0.173 176.753 176.600 -0.033 0.000 1.108 294 E CA -0.530 55.851 56.400 -0.033 0.000 0.916 294 E CB 0.719 30.409 29.700 -0.016 0.000 0.989 294 E HN 0.896 nan 8.360 nan 0.000 0.432 295 N N 2.742 121.404 118.700 -0.063 0.000 2.454 295 N HA 0.066 4.809 4.740 0.005 0.000 0.254 295 N C -0.267 175.234 175.510 -0.014 0.000 1.228 295 N CA 0.009 53.018 53.050 -0.070 0.000 0.900 295 N CB 0.472 38.902 38.487 -0.096 0.000 1.089 295 N HN 0.591 nan 8.380 nan 0.000 0.449 296 D N 0.527 120.943 120.400 0.027 0.000 2.383 296 D HA 0.058 4.700 4.640 0.005 0.000 0.248 296 D C -0.323 175.979 176.300 0.002 0.000 1.170 296 D CA -0.203 53.824 54.000 0.045 0.000 0.977 296 D CB 0.733 41.598 40.800 0.108 0.000 1.120 296 D HN 0.216 nan 8.370 nan 0.000 0.481 297 E N 0.837 121.035 120.200 -0.003 0.000 2.360 297 E HA 0.122 4.475 4.350 0.005 0.000 0.269 297 E C 0.033 176.612 176.600 -0.034 0.000 1.022 297 E CA -0.105 56.280 56.400 -0.025 0.000 0.887 297 E CB 0.515 30.203 29.700 -0.021 0.000 0.990 297 E HN 0.435 nan 8.360 nan 0.000 0.426 298 M N 0.867 120.429 119.600 -0.063 0.000 2.249 298 M HA 0.454 4.937 4.480 0.005 0.000 0.351 298 M C -2.239 174.019 176.300 -0.071 0.000 1.180 298 M CA -1.946 53.304 55.300 -0.082 0.000 1.127 298 M CB 0.156 32.674 32.600 -0.136 0.000 1.546 298 M HN -0.085 nan 8.290 nan 0.000 0.461 299 P HA 0.001 nan 4.420 nan 0.000 0.263 299 P C 0.102 177.366 177.300 -0.059 0.000 1.175 299 P CA 0.275 63.347 63.100 -0.047 0.000 0.761 299 P CB 0.638 32.316 31.700 -0.037 0.000 0.794 300 A N 2.653 125.446 122.820 -0.045 0.000 1.898 300 A HA 0.012 4.335 4.320 0.005 0.000 0.216 300 A C 1.406 178.962 177.584 -0.047 0.000 1.181 300 A CA 1.826 53.835 52.037 -0.047 0.000 0.620 300 A CB -1.420 17.560 19.000 -0.034 0.000 0.819 300 A HN 0.607 nan 8.150 nan 0.000 0.442 301 D N 0.178 120.556 120.400 -0.037 0.000 2.524 301 D HA 0.578 5.221 4.640 0.005 0.000 0.222 301 D C -0.561 175.717 176.300 -0.036 0.000 1.142 301 D CA -0.271 53.710 54.000 -0.032 0.000 0.973 301 D CB -0.286 40.502 40.800 -0.019 0.000 1.025 301 D HN 0.326 nan 8.370 nan 0.000 0.519 302 L N 1.799 122.991 121.223 -0.052 0.000 2.333 302 L HA 0.469 4.812 4.340 0.005 0.000 0.280 302 L C -1.715 175.124 176.870 -0.051 0.000 1.004 302 L CA -1.602 53.202 54.840 -0.060 0.000 0.820 302 L CB 1.921 43.919 42.059 -0.102 0.000 1.247 302 L HN 0.342 nan 8.230 nan 0.000 0.416 303 P HA -0.034 nan 4.420 nan 0.000 0.275 303 P C -0.555 176.736 177.300 -0.015 0.000 1.262 303 P CA -0.209 62.883 63.100 -0.013 0.000 0.834 303 P CB 0.409 32.111 31.700 0.004 0.000 1.098 304 S N -0.381 115.325 115.700 0.009 0.000 2.508 304 S HA 0.190 4.663 4.470 0.005 0.000 0.284 304 S C 1.139 175.790 174.600 0.085 0.000 1.192 304 S CA -0.740 57.478 58.200 0.030 0.000 1.070 304 S CB -0.021 63.197 63.200 0.030 0.000 1.004 304 S HN 0.248 nan 8.310 nan 0.000 0.493 305 L N 4.322 125.630 121.223 0.141 0.000 2.083 305 L HA -0.036 4.307 4.340 0.005 0.000 0.209 305 L C 2.770 179.880 176.870 0.401 0.000 1.083 305 L CA 2.229 57.258 54.840 0.314 0.000 0.752 305 L CB -2.124 40.108 42.059 0.289 0.000 0.899 305 L HN 0.904 nan 8.230 nan 0.000 0.433 306 A N -0.432 122.493 122.820 0.174 0.000 2.076 306 A HA -0.122 4.201 4.320 0.005 0.000 0.220 306 A C 2.521 180.099 177.584 -0.010 0.000 1.160 306 A CA 1.493 53.458 52.037 -0.119 0.000 0.653 306 A CB -0.441 18.365 19.000 -0.322 0.000 0.801 306 A HN 0.408 nan 8.150 nan 0.000 0.455 307 A N 0.171 123.008 122.820 0.029 0.000 1.834 307 A HA -0.219 4.104 4.320 0.005 0.000 0.216 307 A C 1.864 179.430 177.584 -0.030 0.000 1.203 307 A CA 1.786 53.826 52.037 0.004 0.000 0.621 307 A CB -0.615 18.387 19.000 0.003 0.000 0.841 307 A HN 0.482 nan 8.150 nan 0.000 0.446 308 D N -1.746 118.579 120.400 -0.124 0.000 2.277 308 D HA 0.026 4.669 4.640 0.005 0.000 0.208 308 D C 1.140 177.142 176.300 -0.496 0.000 0.962 308 D CA 0.912 54.692 54.000 -0.368 0.000 0.865 308 D CB -0.028 40.389 40.800 -0.638 0.000 0.939 308 D HN 0.519 nan 8.370 nan 0.000 0.510 309 F N -0.485 119.578 119.950 0.188 0.000 2.720 309 F HA 0.081 4.611 4.527 0.006 0.000 0.301 309 F C 1.897 177.824 175.800 0.212 0.000 1.103 309 F CA -0.066 58.093 58.000 0.265 0.000 1.291 309 F CB 0.654 39.812 39.000 0.264 0.000 1.086 309 F HN -0.209 nan 8.300 nan 0.000 0.592 310 V N -1.483 118.549 119.914 0.196 0.000 3.159 310 V HA 0.056 4.179 4.120 0.005 0.000 0.234 310 V C 1.543 177.747 176.094 0.184 0.000 1.313 310 V CA 0.493 62.884 62.300 0.152 0.000 1.271 310 V CB 0.322 32.057 31.823 -0.147 0.000 1.053 310 V HN 0.053 nan 8.190 nan 0.000 0.476 311 E N 0.477 120.741 120.200 0.106 0.000 2.250 311 E HA 0.076 4.429 4.350 0.005 0.000 0.192 311 E C 1.167 177.878 176.600 0.185 0.000 0.986 311 E CA 0.399 56.887 56.400 0.145 0.000 0.849 311 E CB 0.289 30.034 29.700 0.075 0.000 0.797 311 E HN 0.388 nan 8.360 nan 0.000 0.482 312 S N 0.167 115.948 115.700 0.135 0.000 2.563 312 S HA 0.107 4.580 4.470 0.005 0.000 0.284 312 S C 1.136 175.838 174.600 0.170 0.000 1.331 312 S CA 0.575 58.841 58.200 0.110 0.000 1.047 312 S CB 1.093 64.323 63.200 0.050 0.000 0.859 312 S HN 0.254 nan 8.310 nan 0.000 0.514 313 K N 2.268 122.739 120.400 0.119 0.000 2.305 313 K HA 0.065 4.388 4.320 0.005 0.000 0.199 313 K C 0.973 177.633 176.600 0.099 0.000 1.047 313 K CA 1.258 57.617 56.287 0.120 0.000 0.976 313 K CB -0.409 nan 32.500 nan 0.000 0.765 313 K HN 0.825 nan 8.250 nan 0.000 0.474 314 D N 0.536 120.975 120.400 0.064 0.000 2.336 314 D HA 0.070 4.713 4.640 0.005 0.000 0.228 314 D C 1.427 177.715 176.300 -0.019 0.000 1.120 314 D CA 0.099 54.112 54.000 0.023 0.000 0.839 314 D CB 0.537 41.341 40.800 0.007 0.000 0.932 314 D HN 0.129 nan 8.370 nan 0.000 0.509 315 V N 0.600 120.530 119.914 0.026 0.000 2.219 315 V HA -0.341 3.782 4.120 0.005 0.000 0.248 315 V C 2.614 178.572 176.094 -0.227 0.000 1.053 315 V CA 1.658 63.921 62.300 -0.061 0.000 1.009 315 V CB -0.591 31.221 31.823 -0.018 0.000 0.636 315 V HN 0.373 nan 8.190 nan 0.000 0.445 316 c N -0.391 118.164 118.600 -0.076 0.000 2.422 316 c HA -0.132 4.441 4.570 0.005 0.000 0.279 316 c C 2.750 176.807 174.090 -0.055 0.000 1.305 316 c CA 1.236 57.550 56.329 -0.024 0.000 1.757 316 c CB -1.079 41.472 42.510 0.068 0.000 1.962 316 c HN 0.632 nan 8.230 nan 0.000 0.499 317 K N 1.290 121.648 120.400 -0.071 0.000 2.057 317 K HA -0.117 4.206 4.320 0.005 0.000 0.206 317 K C 1.616 178.135 176.600 -0.134 0.000 1.050 317 K CA 1.560 57.802 56.287 -0.074 0.000 0.935 317 K CB -0.386 32.090 32.500 -0.040 0.000 0.715 317 K HN 0.604 nan 8.250 nan 0.000 0.439 318 N N -0.686 117.881 118.700 -0.221 0.000 2.331 318 N HA -0.168 4.575 4.740 0.005 0.000 0.180 318 N C 1.689 176.935 175.510 -0.439 0.000 1.019 318 N CA 0.746 53.625 53.050 -0.285 0.000 0.881 318 N CB -0.089 38.223 38.487 -0.291 0.000 0.972 318 N HN 0.221 nan 8.380 nan 0.000 0.435 319 Y N 1.706 121.523 120.300 -0.804 0.000 2.206 319 Y HA 0.088 4.642 4.550 0.007 0.000 0.292 319 Y C 2.287 178.056 175.900 -0.217 0.000 1.123 319 Y CA 0.996 58.721 58.100 -0.625 0.000 1.142 319 Y CB -0.512 37.596 38.460 -0.586 0.000 1.006 319 Y HN -0.034 nan 8.280 nan 0.000 0.518 320 A N 0.140 122.773 122.820 -0.313 0.000 2.015 320 A HA -0.179 4.144 4.320 0.005 0.000 0.219 320 A C 2.211 179.664 177.584 -0.219 0.000 1.163 320 A CA 1.640 53.483 52.037 -0.324 0.000 0.646 320 A CB -0.813 18.091 19.000 -0.160 0.000 0.806 320 A HN 0.641 nan 8.150 nan 0.000 0.448 321 E N -0.654 119.455 120.200 -0.152 0.000 2.106 321 E HA 0.048 4.401 4.350 0.005 0.000 0.192 321 E C 0.383 176.949 176.600 -0.056 0.000 0.984 321 E CA 0.939 57.290 56.400 -0.083 0.000 0.806 321 E CB -0.046 29.623 29.700 -0.052 0.000 0.750 321 E HN 0.502 nan 8.360 nan 0.000 0.458 322 A N 0.314 123.102 122.820 -0.052 0.000 3.044 322 A HA 0.207 4.530 4.320 0.005 0.000 0.289 322 A C 0.216 177.832 177.584 0.053 0.000 1.236 322 A CA -0.602 51.444 52.037 0.016 0.000 0.871 322 A CB 0.474 19.526 19.000 0.087 0.000 1.424 322 A HN 0.024 nan 8.150 nan 0.000 0.564 323 K N 0.318 120.666 120.400 -0.086 0.000 2.015 323 K HA -0.208 4.115 4.320 0.005 0.000 0.216 323 K C 0.794 177.539 176.600 0.242 0.000 1.052 323 K CA 2.149 58.398 56.287 -0.063 0.000 0.937 323 K CB -0.006 32.322 32.500 -0.287 0.000 0.719 323 K HN 0.615 nan 8.250 nan 0.000 0.446 324 D N 0.362 120.864 120.400 0.171 0.000 2.178 324 D HA -0.105 4.538 4.640 0.005 0.000 0.201 324 D C 1.951 178.404 176.300 0.256 0.000 0.980 324 D CA 0.781 54.905 54.000 0.207 0.000 0.842 324 D CB -0.139 40.752 40.800 0.153 0.000 0.948 324 D HN -0.022 nan 8.370 nan 0.000 0.472 325 V N 0.643 120.714 119.914 0.261 0.000 2.358 325 V HA -0.201 3.922 4.120 0.005 0.000 0.246 325 V C 2.122 178.397 176.094 0.301 0.000 1.047 325 V CA 1.037 63.520 62.300 0.306 0.000 1.035 325 V CB -0.540 31.447 31.823 0.274 0.000 0.658 325 V HN 0.064 nan 8.190 nan 0.000 0.452 326 F N 0.593 120.664 119.950 0.202 0.000 2.102 326 F HA -0.141 4.388 4.527 0.003 0.000 0.298 326 F C 2.078 178.057 175.800 0.298 0.000 1.105 326 F CA 1.576 59.733 58.000 0.262 0.000 1.239 326 F CB -0.340 38.881 39.000 0.369 0.000 0.991 326 F HN 0.002 nan 8.300 nan 0.000 0.474 327 L N -0.482 120.947 121.223 0.343 0.000 2.131 327 L HA -0.155 4.188 4.340 0.005 0.000 0.210 327 L C 2.707 179.681 176.870 0.173 0.000 1.092 327 L CA 1.218 56.188 54.840 0.217 0.000 0.759 327 L CB -1.494 40.717 42.059 0.253 0.000 0.903 327 L HN 0.333 nan 8.230 nan 0.000 0.435 328 G N -0.372 108.548 108.800 0.200 0.000 2.402 328 G HA2 -0.239 3.724 3.960 0.005 0.000 0.216 328 G HA3 -0.239 3.724 3.960 0.005 0.000 0.216 328 G C 1.639 176.626 174.900 0.145 0.000 1.162 328 G CA 0.476 45.733 45.100 0.262 0.000 0.777 328 G HN 0.185 nan 8.290 nan 0.000 0.539 329 M N -0.542 118.927 119.600 -0.219 0.000 2.159 329 M HA 0.052 4.535 4.480 0.005 0.000 0.263 329 M C 2.281 178.503 176.300 -0.130 0.000 1.063 329 M CA 1.053 56.090 55.300 -0.438 0.000 1.110 329 M CB -0.331 31.987 32.600 -0.469 0.000 1.374 329 M HN 0.275 nan 8.290 nan 0.000 0.411 330 F N 1.212 120.882 119.950 -0.467 0.000 2.075 330 F HA -0.214 4.315 4.527 0.003 0.000 0.297 330 F C 1.968 177.514 175.800 -0.423 0.000 1.113 330 F CA 1.604 59.080 58.000 -0.874 0.000 1.218 330 F CB -0.376 38.102 39.000 -0.870 0.000 0.984 330 F HN -0.051 nan 8.300 nan 0.000 0.472 331 L N -0.843 120.299 121.223 -0.135 0.000 2.012 331 L HA -0.283 4.060 4.340 0.005 0.000 0.210 331 L C 2.511 179.318 176.870 -0.105 0.000 1.073 331 L CA 1.965 56.720 54.840 -0.142 0.000 0.748 331 L CB -0.879 41.192 42.059 0.020 0.000 0.891 331 L HN 0.370 nan 8.230 nan 0.000 0.431 332 Y N 0.901 121.155 120.300 -0.077 0.000 2.053 332 Y HA -0.322 4.231 4.550 0.005 0.000 0.277 332 Y C 2.586 178.424 175.900 -0.104 0.000 1.159 332 Y CA 1.949 60.052 58.100 0.005 0.000 1.125 332 Y CB -0.268 38.328 38.460 0.227 0.000 0.969 332 Y HN 0.155 nan 8.280 nan 0.000 0.492 333 E N -0.596 119.450 120.200 -0.256 0.000 2.058 333 E HA -0.262 4.091 4.350 0.005 0.000 0.194 333 E C 2.145 178.461 176.600 -0.472 0.000 0.997 333 E CA 1.728 57.889 56.400 -0.398 0.000 0.801 333 E CB -0.941 28.657 29.700 -0.170 0.000 0.746 333 E HN 0.642 nan 8.360 nan 0.000 0.450 334 Y N 0.845 120.755 120.300 -0.649 0.000 2.263 334 Y HA -0.102 4.453 4.550 0.008 0.000 0.292 334 Y C 2.315 177.940 175.900 -0.459 0.000 1.130 334 Y CA 1.187 58.907 58.100 -0.634 0.000 1.179 334 Y CB -0.313 37.563 38.460 -0.975 0.000 0.998 334 Y HN 0.025 nan 8.280 nan 0.000 0.532 335 A N 0.754 123.439 122.820 -0.224 0.000 1.930 335 A HA -0.172 4.151 4.320 0.005 0.000 0.217 335 A C 2.103 179.528 177.584 -0.266 0.000 1.175 335 A CA 1.552 53.461 52.037 -0.213 0.000 0.627 335 A CB -0.643 18.244 19.000 -0.188 0.000 0.815 335 A HN 0.570 nan 8.150 nan 0.000 0.443 336 R N -0.833 119.461 120.500 -0.343 0.000 2.323 336 R HA 0.120 4.463 4.340 0.005 0.000 0.198 336 R C 1.126 177.211 176.300 -0.359 0.000 0.988 336 R CA 0.825 56.722 56.100 -0.338 0.000 1.041 336 R CB -0.201 29.850 30.300 -0.415 0.000 0.926 336 R HN 0.409 nan 8.270 nan 0.000 0.476 337 R N -0.405 119.829 120.500 -0.443 0.000 2.476 337 R HA 0.192 4.535 4.340 0.005 0.000 0.276 337 R C -0.238 175.529 176.300 -0.887 0.000 0.941 337 R CA -0.105 55.638 56.100 -0.596 0.000 1.088 337 R CB 0.664 30.569 30.300 -0.657 0.000 1.216 337 R HN 0.287 nan 8.270 nan 0.000 0.533 338 H N -0.152 118.647 119.070 -0.451 0.000 2.429 338 H HA 0.200 4.761 4.556 0.008 0.000 0.231 338 H C -2.265 172.864 175.328 -0.332 0.000 1.416 338 H CA -1.810 53.913 56.048 -0.542 0.000 1.443 338 H CB 1.660 30.735 29.762 -1.146 0.000 1.591 338 H HN -0.081 nan 8.280 nan 0.000 0.507 339 P HA -0.091 nan 4.420 nan 0.000 0.229 339 P C 1.308 178.581 177.300 -0.045 0.000 1.160 339 P CA 0.799 63.829 63.100 -0.116 0.000 0.777 339 P CB 0.382 32.007 31.700 -0.125 0.000 0.814 340 D N -2.419 117.995 120.400 0.025 0.000 2.363 340 D HA -0.117 4.526 4.640 0.005 0.000 0.220 340 D C 0.177 176.629 176.300 0.253 0.000 0.994 340 D CA 0.458 54.527 54.000 0.116 0.000 0.890 340 D CB -0.529 40.366 40.800 0.158 0.000 0.906 340 D HN 0.120 nan 8.370 nan 0.000 0.530 341 Y N 1.718 121.976 120.300 -0.070 0.000 2.335 341 Y HA 0.315 4.869 4.550 0.007 0.000 0.323 341 Y C 1.149 176.947 175.900 -0.171 0.000 1.224 341 Y CA -2.285 55.738 58.100 -0.128 0.000 1.241 341 Y CB 1.333 39.699 38.460 -0.157 0.000 1.235 341 Y HN -0.130 nan 8.280 nan 0.000 0.492 342 S N -0.105 115.552 115.700 -0.072 0.000 2.601 342 S HA 0.263 4.736 4.470 0.005 0.000 0.271 342 S C 0.928 175.373 174.600 -0.258 0.000 1.305 342 S CA -0.753 57.351 58.200 -0.159 0.000 1.022 342 S CB 1.166 64.270 63.200 -0.159 0.000 0.940 342 S HN 0.431 nan 8.310 nan 0.000 0.525 343 V N 2.463 122.126 119.914 -0.419 0.000 2.282 343 V HA -0.170 3.953 4.120 0.005 0.000 0.249 343 V C 2.522 178.202 176.094 -0.691 0.000 1.057 343 V CA 2.067 63.946 62.300 -0.702 0.000 1.032 343 V CB -0.867 30.161 31.823 -1.324 0.000 0.645 343 V HN 0.834 nan 8.190 nan 0.000 0.447 344 V N -0.218 119.313 119.914 -0.637 0.000 2.469 344 V HA -0.215 3.908 4.120 0.005 0.000 0.251 344 V C 2.277 178.203 176.094 -0.281 0.000 1.064 344 V CA 2.367 64.434 62.300 -0.388 0.000 1.066 344 V CB -0.149 31.573 31.823 -0.168 0.000 0.667 344 V HN 0.542 nan 8.190 nan 0.000 0.461 345 L N -0.211 120.848 121.223 -0.273 0.000 2.056 345 L HA -0.057 4.286 4.340 0.005 0.000 0.207 345 L C 2.171 178.866 176.870 -0.291 0.000 1.078 345 L CA 2.036 56.717 54.840 -0.266 0.000 0.749 345 L CB -0.716 41.163 42.059 -0.300 0.000 0.901 345 L HN 0.312 nan 8.230 nan 0.000 0.433 346 L N -1.152 119.903 121.223 -0.280 0.000 2.083 346 L HA -0.234 4.109 4.340 0.005 0.000 0.209 346 L C 2.529 179.200 176.870 -0.331 0.000 1.083 346 L CA 1.167 55.812 54.840 -0.326 0.000 0.752 346 L CB -0.519 41.369 42.059 -0.285 0.000 0.899 346 L HN 0.316 nan 8.230 nan 0.000 0.433 347 L N -0.795 120.255 121.223 -0.289 0.000 2.093 347 L HA -0.188 4.155 4.340 0.005 0.000 0.208 347 L C 2.808 179.571 176.870 -0.179 0.000 1.085 347 L CA 1.155 55.870 54.840 -0.209 0.000 0.755 347 L CB -0.448 41.498 42.059 -0.189 0.000 0.904 347 L HN 0.225 nan 8.230 nan 0.000 0.435 348 R N 0.015 120.392 120.500 -0.204 0.000 2.081 348 R HA -0.133 4.210 4.340 0.005 0.000 0.235 348 R C 2.283 178.459 176.300 -0.207 0.000 1.131 348 R CA 1.166 57.164 56.100 -0.171 0.000 0.960 348 R CB -0.392 29.808 30.300 -0.168 0.000 0.856 348 R HN 0.319 nan 8.270 nan 0.000 0.436 349 L N 0.135 121.137 121.223 -0.368 0.000 2.017 349 L HA -0.146 4.197 4.340 0.005 0.000 0.208 349 L C 2.747 179.427 176.870 -0.316 0.000 1.073 349 L CA 1.281 55.757 54.840 -0.608 0.000 0.745 349 L CB -0.725 40.627 42.059 -1.179 0.000 0.894 349 L HN 0.236 nan 8.230 nan 0.000 0.432 350 A N 0.396 123.109 122.820 -0.177 0.000 1.883 350 A HA -0.275 4.048 4.320 0.005 0.000 0.217 350 A C 2.325 179.902 177.584 -0.011 0.000 1.186 350 A CA 2.172 54.213 52.037 0.007 0.000 0.624 350 A CB -0.466 18.550 19.000 0.026 0.000 0.822 350 A HN 0.249 nan 8.150 nan 0.000 0.444 351 K N -0.409 119.969 120.400 -0.036 0.000 2.063 351 K HA -0.101 4.222 4.320 0.005 0.000 0.208 351 K C 1.990 178.594 176.600 0.007 0.000 1.048 351 K CA 2.360 58.639 56.287 -0.013 0.000 0.928 351 K CB -1.042 31.441 32.500 -0.028 0.000 0.713 351 K HN 0.399 nan 8.250 nan 0.000 0.442 352 T N -0.114 114.457 114.554 0.029 0.000 2.708 352 T HA -0.160 4.193 4.350 0.005 0.000 0.266 352 T C 1.393 176.184 174.700 0.151 0.000 1.037 352 T CA 1.584 63.751 62.100 0.111 0.000 1.146 352 T CB -0.566 68.433 68.868 0.218 0.000 0.865 352 T HN 0.314 nan 8.240 nan 0.000 0.435 353 Y N 1.840 122.138 120.300 -0.004 0.000 2.224 353 Y HA -0.096 4.455 4.550 0.001 0.000 0.289 353 Y C 2.470 178.228 175.900 -0.237 0.000 1.146 353 Y CA 1.510 59.513 58.100 -0.163 0.000 1.182 353 Y CB -0.268 37.830 38.460 -0.602 0.000 0.983 353 Y HN 0.305 nan 8.280 nan 0.000 0.524 354 E N -0.965 119.131 120.200 -0.173 0.000 2.028 354 E HA -0.186 4.167 4.350 0.005 0.000 0.191 354 E C 1.892 178.404 176.600 -0.146 0.000 0.988 354 E CA 1.907 58.188 56.400 -0.198 0.000 0.799 354 E CB -0.187 29.498 29.700 -0.025 0.000 0.755 354 E HN 0.431 nan 8.360 nan 0.000 0.447 355 T N 0.289 114.804 114.554 -0.065 0.000 2.803 355 T HA -0.126 4.227 4.350 0.005 0.000 0.269 355 T C 1.799 176.465 174.700 -0.057 0.000 1.052 355 T CA 1.692 63.773 62.100 -0.032 0.000 1.136 355 T CB -0.346 68.521 68.868 -0.003 0.000 0.864 355 T HN 0.238 nan 8.240 nan 0.000 0.467 356 T N 2.212 116.706 114.554 -0.100 0.000 2.732 356 T HA 0.128 4.481 4.350 0.005 0.000 0.261 356 T C 1.980 176.582 174.700 -0.163 0.000 1.040 356 T CA 0.676 62.717 62.100 -0.097 0.000 1.145 356 T CB -0.370 68.455 68.868 -0.072 0.000 0.866 356 T HN 0.249 nan 8.240 nan 0.000 0.427 357 L N 1.051 122.046 121.223 -0.381 0.000 2.127 357 L HA -0.098 4.245 4.340 0.005 0.000 0.211 357 L C 2.798 179.587 176.870 -0.134 0.000 1.089 357 L CA 1.139 55.715 54.840 -0.440 0.000 0.757 357 L CB -0.568 40.876 42.059 -1.024 0.000 0.899 357 L HN 0.238 nan 8.230 nan 0.000 0.434 358 E N 0.111 120.277 120.200 -0.057 0.000 2.150 358 E HA -0.142 4.211 4.350 0.005 0.000 0.193 358 E C 2.308 178.931 176.600 0.037 0.000 0.985 358 E CA 0.931 57.366 56.400 0.058 0.000 0.814 358 E CB 0.090 29.823 29.700 0.056 0.000 0.752 358 E HN 0.390 nan 8.360 nan 0.000 0.466 359 K N -0.016 120.391 120.400 0.012 0.000 2.029 359 K HA 0.006 4.329 4.320 0.005 0.000 0.205 359 K C 2.444 179.067 176.600 0.038 0.000 1.042 359 K CA 0.946 57.246 56.287 0.022 0.000 0.949 359 K CB -1.075 31.434 32.500 0.015 0.000 0.740 359 K HN 0.276 nan 8.250 nan 0.000 0.442 360 c N 0.597 119.227 118.600 0.050 0.000 2.411 360 c HA -0.103 4.470 4.570 0.005 0.000 0.279 360 c C 2.770 176.934 174.090 0.123 0.000 1.288 360 c CA 0.477 56.869 56.329 0.104 0.000 1.764 360 c CB -1.259 41.381 42.510 0.216 0.000 1.974 360 c HN 0.639 nan 8.230 nan 0.000 0.498 361 c N 0.670 119.332 118.600 0.103 0.000 2.522 361 c HA 0.218 4.791 4.570 0.005 0.000 0.271 361 c C 2.505 176.640 174.090 0.074 0.000 1.425 361 c CA 0.774 57.167 56.329 0.107 0.000 1.751 361 c CB -1.741 40.839 42.510 0.116 0.000 1.775 361 c HN 0.713 nan 8.230 nan 0.000 0.557 362 A N -0.184 122.672 122.820 0.059 0.000 2.343 362 A HA 0.651 4.974 4.320 0.005 0.000 0.223 362 A C 1.092 178.695 177.584 0.032 0.000 1.214 362 A CA 0.570 52.631 52.037 0.040 0.000 0.900 362 A CB -0.096 18.924 19.000 0.034 0.000 0.942 362 A HN 0.447 nan 8.150 nan 0.000 0.507 363 A N -0.984 121.858 122.820 0.037 0.000 2.257 363 A HA 0.690 5.013 4.320 0.005 0.000 0.289 363 A C 1.596 179.192 177.584 0.020 0.000 1.095 363 A CA 0.183 52.235 52.037 0.025 0.000 0.836 363 A CB 0.049 19.063 19.000 0.022 0.000 1.111 363 A HN 1.080 nan 8.150 nan 0.000 0.497 364 A N 0.213 123.039 122.820 0.010 0.000 1.859 364 A HA -0.141 4.182 4.320 0.005 0.000 0.218 364 A C 0.926 178.512 177.584 0.003 0.000 1.242 364 A CA 2.438 54.477 52.037 0.004 0.000 0.661 364 A CB -0.740 18.259 19.000 -0.002 0.000 0.842 364 A HN 0.863 nan 8.150 nan 0.000 0.455 365 D N -1.646 118.751 120.400 -0.006 0.000 2.472 365 D HA 0.461 5.104 4.640 0.005 0.000 0.234 365 D C -1.907 174.374 176.300 -0.031 0.000 1.088 365 D CA -2.091 51.900 54.000 -0.015 0.000 0.882 365 D CB 1.198 41.983 40.800 -0.026 0.000 1.037 365 D HN -0.029 nan 8.370 nan 0.000 0.520 366 P HA -0.270 nan 4.420 nan 0.000 0.212 366 P C 1.328 178.388 177.300 -0.400 0.000 1.174 366 P CA 1.193 64.289 63.100 -0.007 0.000 0.934 366 P CB -0.068 31.734 31.700 0.170 0.000 0.791 367 H N -0.106 118.596 119.070 -0.614 0.000 2.400 367 H HA -0.228 4.332 4.556 0.007 0.000 0.295 367 H C 1.893 176.816 175.328 -0.675 0.000 1.118 367 H CA 2.354 57.826 56.048 -0.959 0.000 1.256 367 H CB -0.407 29.132 29.762 -0.370 0.000 1.365 367 H HN 0.054 nan 8.280 nan 0.000 0.502 368 E N 0.197 120.314 120.200 -0.138 0.000 2.047 368 E HA -0.119 4.234 4.350 0.005 0.000 0.191 368 E C 2.805 179.304 176.600 -0.169 0.000 0.987 368 E CA 1.247 57.604 56.400 -0.070 0.000 0.799 368 E CB -0.981 28.703 29.700 -0.028 0.000 0.752 368 E HN 0.462 nan 8.360 nan 0.000 0.449 369 c N 0.458 118.952 118.600 -0.178 0.000 2.432 369 c HA -0.138 4.435 4.570 0.005 0.000 0.277 369 c C 2.480 176.540 174.090 -0.051 0.000 1.249 369 c CA 1.308 57.584 56.329 -0.090 0.000 1.725 369 c CB -1.355 41.138 42.510 -0.028 0.000 2.028 369 c HN 0.667 nan 8.230 nan 0.000 0.477 370 Y N 0.757 121.018 120.300 -0.065 0.000 2.461 370 Y HA 0.603 5.154 4.550 0.002 0.000 0.277 370 Y C 1.838 177.673 175.900 -0.110 0.000 1.182 370 Y CA 0.013 58.068 58.100 -0.075 0.000 1.276 370 Y CB -1.473 36.944 38.460 -0.071 0.000 1.087 370 Y HN 0.213 nan 8.280 nan 0.000 0.519 371 A N 1.743 124.448 122.820 -0.193 0.000 1.927 371 A HA -0.175 4.148 4.320 0.005 0.000 0.220 371 A C 2.053 179.586 177.584 -0.086 0.000 1.185 371 A CA 2.463 54.361 52.037 -0.231 0.000 0.639 371 A CB -1.040 17.806 19.000 -0.257 0.000 0.820 371 A HN 0.517 nan 8.150 nan 0.000 0.451 372 K N -0.337 120.039 120.400 -0.039 0.000 2.814 372 K HA 0.610 4.933 4.320 0.005 0.000 0.213 372 K C 1.110 177.702 176.600 -0.013 0.000 1.113 372 K CA 0.468 56.742 56.287 -0.023 0.000 1.145 372 K CB -0.758 31.731 32.500 -0.019 0.000 0.948 372 K HN 0.401 nan 8.250 nan 0.000 0.464 373 V N -0.241 119.681 119.914 0.014 0.000 2.407 373 V HA -0.124 3.999 4.120 0.005 0.000 0.248 373 V C 1.769 177.649 176.094 -0.357 0.000 1.055 373 V CA 1.781 64.038 62.300 -0.072 0.000 1.049 373 V CB -0.688 31.177 31.823 0.071 0.000 0.662 373 V HN 0.687 nan 8.190 nan 0.000 0.455 374 F N 0.675 120.311 119.950 -0.525 0.000 2.449 374 F HA -0.094 4.435 4.527 0.003 0.000 0.299 374 F C 2.150 177.775 175.800 -0.291 0.000 1.092 374 F CA 1.214 58.877 58.000 -0.562 0.000 1.446 374 F CB -0.741 38.197 39.000 -0.103 0.000 1.084 374 F HN 0.334 nan 8.300 nan 0.000 0.567 375 D N -0.476 119.906 120.400 -0.029 0.000 2.234 375 D HA -0.093 4.550 4.640 0.005 0.000 0.205 375 D C 2.084 178.378 176.300 -0.010 0.000 0.962 375 D CA 0.607 54.614 54.000 0.011 0.000 0.855 375 D CB -0.053 40.755 40.800 0.014 0.000 0.951 375 D HN 0.216 nan 8.370 nan 0.000 0.500 376 E N -0.042 120.102 120.200 -0.093 0.000 2.110 376 E HA -0.112 4.241 4.350 0.005 0.000 0.193 376 E C 1.715 178.396 176.600 0.134 0.000 0.988 376 E CA 0.632 57.024 56.400 -0.013 0.000 0.804 376 E CB -0.158 29.515 29.700 -0.045 0.000 0.745 376 E HN 0.170 nan 8.360 nan 0.000 0.458 377 F N 1.189 121.138 119.950 -0.002 0.000 2.134 377 F HA -0.096 4.430 4.527 -0.002 0.000 0.299 377 F C 2.137 177.903 175.800 -0.056 0.000 1.097 377 F CA 0.975 58.933 58.000 -0.069 0.000 1.264 377 F CB -1.091 37.828 39.000 -0.134 0.000 1.001 377 F HN 0.045 nan 8.300 nan 0.000 0.479 378 K N 0.955 121.460 120.400 0.176 0.000 2.030 378 K HA -0.226 4.097 4.320 0.005 0.000 0.222 378 K C -0.559 176.064 176.600 0.039 0.000 1.056 378 K CA 2.474 58.816 56.287 0.092 0.000 0.957 378 K CB -1.469 31.076 32.500 0.076 0.000 0.727 378 K HN 0.153 nan 8.250 nan 0.000 0.452 379 P HA -0.149 nan 4.420 nan 0.000 0.220 379 P C 1.535 178.824 177.300 -0.017 0.000 1.148 379 P CA 0.959 64.064 63.100 0.008 0.000 0.803 379 P CB 0.024 31.732 31.700 0.014 0.000 0.782 380 L N -0.210 121.006 121.223 -0.011 0.000 2.017 380 L HA -0.107 4.236 4.340 0.005 0.000 0.208 380 L C 2.787 179.577 176.870 -0.133 0.000 1.073 380 L CA 1.535 56.338 54.840 -0.061 0.000 0.745 380 L CB -1.549 40.479 42.059 -0.052 0.000 0.894 380 L HN -0.177 nan 8.230 nan 0.000 0.432 381 V N -0.826 118.997 119.914 -0.151 0.000 2.427 381 V HA -0.249 3.874 4.120 0.005 0.000 0.248 381 V C 2.374 178.338 176.094 -0.216 0.000 1.051 381 V CA 1.473 63.610 62.300 -0.271 0.000 1.048 381 V CB -0.443 31.237 31.823 -0.239 0.000 0.666 381 V HN 0.484 nan 8.190 nan 0.000 0.456 382 E N -0.526 119.605 120.200 -0.116 0.000 2.152 382 E HA -0.195 4.158 4.350 0.005 0.000 0.192 382 E C 2.294 178.850 176.600 -0.073 0.000 0.983 382 E CA 0.738 57.090 56.400 -0.081 0.000 0.818 382 E CB -0.099 29.578 29.700 -0.038 0.000 0.758 382 E HN 0.534 nan 8.360 nan 0.000 0.467 383 E N 1.013 121.171 120.200 -0.071 0.000 2.033 383 E HA -0.179 4.174 4.350 0.005 0.000 0.199 383 E C -0.613 175.951 176.600 -0.059 0.000 1.011 383 E CA 1.722 58.090 56.400 -0.052 0.000 0.815 383 E CB -0.892 28.779 29.700 -0.049 0.000 0.755 383 E HN 0.203 nan 8.360 nan 0.000 0.451 384 P HA -0.130 nan 4.420 nan 0.000 0.218 384 P C 1.351 178.600 177.300 -0.084 0.000 1.149 384 P CA 1.367 64.413 63.100 -0.091 0.000 0.817 384 P CB -0.140 31.475 31.700 -0.141 0.000 0.785 385 Q N -0.453 119.286 119.800 -0.102 0.000 2.046 385 Q HA -0.101 4.242 4.340 0.005 0.000 0.200 385 Q C 2.209 178.185 176.000 -0.040 0.000 0.975 385 Q CA 1.151 56.907 55.803 -0.078 0.000 0.836 385 Q CB -0.399 28.286 28.738 -0.087 0.000 0.896 385 Q HN 0.280 nan 8.270 nan 0.000 0.428 386 N N 0.799 119.481 118.700 -0.031 0.000 2.120 386 N HA -0.122 4.621 4.740 0.005 0.000 0.188 386 N C 1.868 177.379 175.510 0.001 0.000 1.024 386 N CA 0.948 53.991 53.050 -0.011 0.000 0.852 386 N CB -0.279 38.204 38.487 -0.007 0.000 1.003 386 N HN 0.205 nan 8.380 nan 0.000 0.424 387 L N 0.744 121.968 121.223 0.002 0.000 2.042 387 L HA -0.157 4.186 4.340 0.005 0.000 0.210 387 L C 2.074 178.960 176.870 0.027 0.000 1.076 387 L CA 0.819 55.673 54.840 0.023 0.000 0.749 387 L CB -0.343 41.731 42.059 0.026 0.000 0.893 387 L HN 0.141 nan 8.230 nan 0.000 0.432 388 I N 0.507 121.080 120.570 0.005 0.000 2.202 388 I HA -0.284 3.889 4.170 0.005 0.000 0.242 388 I C 3.114 179.233 176.117 0.002 0.000 1.091 388 I CA 1.893 63.193 61.300 -0.000 0.000 1.368 388 I CB -1.446 36.544 38.000 -0.018 0.000 1.058 388 I HN 0.211 nan 8.210 nan 0.000 0.410 389 K N 0.679 121.081 120.400 0.002 0.000 1.991 389 K HA -0.277 4.046 4.320 0.005 0.000 0.212 389 K C 2.229 178.840 176.600 0.018 0.000 1.049 389 K CA 2.180 58.471 56.287 0.007 0.000 0.932 389 K CB -1.641 nan 32.500 nan 0.000 0.717 389 K HN 0.367 nan 8.250 nan 0.000 0.441 390 Q N 1.061 120.877 119.800 0.026 0.000 2.077 390 Q HA -0.218 4.125 4.340 0.005 0.000 0.206 390 Q C 2.150 178.190 176.000 0.066 0.000 0.989 390 Q CA 2.284 58.112 55.803 0.042 0.000 0.853 390 Q CB -0.767 27.997 28.738 0.042 0.000 0.907 390 Q HN 0.823 nan 8.270 nan 0.000 0.418 391 N N -0.963 117.783 118.700 0.078 0.000 2.354 391 N HA -0.030 4.713 4.740 0.005 0.000 0.179 391 N C 1.800 177.320 175.510 0.016 0.000 1.021 391 N CA 1.322 54.449 53.050 0.129 0.000 0.887 391 N CB -0.401 38.197 38.487 0.185 0.000 0.974 391 N HN 0.495 nan 8.380 nan 0.000 0.437 392 c N 1.006 119.594 118.600 -0.021 0.000 2.467 392 c HA 0.074 4.647 4.570 0.005 0.000 0.279 392 c C 2.440 176.540 174.090 0.017 0.000 1.347 392 c CA 0.046 56.341 56.329 -0.058 0.000 1.748 392 c CB -0.518 41.960 42.510 -0.053 0.000 1.977 392 c HN 0.465 nan 8.230 nan 0.000 0.501 393 E N 0.561 120.775 120.200 0.023 0.000 2.051 393 E HA -0.221 4.132 4.350 0.005 0.000 0.192 393 E C 1.992 178.609 176.600 0.028 0.000 0.991 393 E CA 0.986 57.403 56.400 0.028 0.000 0.799 393 E CB -0.298 29.417 29.700 0.026 0.000 0.748 393 E HN 0.437 nan 8.360 nan 0.000 0.449 394 L N 0.695 121.949 121.223 0.052 0.000 2.083 394 L HA -0.154 4.189 4.340 0.005 0.000 0.209 394 L C 2.066 178.958 176.870 0.037 0.000 1.083 394 L CA 1.527 56.421 54.840 0.089 0.000 0.752 394 L CB -0.534 41.647 42.059 0.204 0.000 0.899 394 L HN 0.091 nan 8.230 nan 0.000 0.433 395 F N 0.582 120.330 119.950 -0.336 0.000 2.325 395 F HA -0.011 4.519 4.527 0.005 0.000 0.299 395 F C 2.229 177.877 175.800 -0.253 0.000 1.090 395 F CA 1.567 59.213 58.000 -0.590 0.000 1.392 395 F CB -0.528 37.818 39.000 -1.090 0.000 1.053 395 F HN 0.219 nan 8.300 nan 0.000 0.521 396 E N 0.720 120.872 120.200 -0.079 0.000 2.047 396 E HA -0.195 4.158 4.350 0.005 0.000 0.191 396 E C 1.870 178.375 176.600 -0.159 0.000 0.987 396 E CA 1.591 57.931 56.400 -0.101 0.000 0.799 396 E CB -0.863 28.839 29.700 0.003 0.000 0.752 396 E HN 0.729 nan 8.360 nan 0.000 0.449 397 Q N -0.310 119.432 119.800 -0.097 0.000 1.856 397 Q HA 0.097 4.440 4.340 0.005 0.000 0.228 397 Q C 1.323 177.260 176.000 -0.105 0.000 0.987 397 Q CA 1.006 56.766 55.803 -0.071 0.000 0.873 397 Q CB -0.532 28.191 28.738 -0.025 0.000 0.928 397 Q HN 0.532 nan 8.270 nan 0.000 0.425 398 L N 0.273 121.449 121.223 -0.079 0.000 2.473 398 L HA 0.133 4.476 4.340 0.005 0.000 0.265 398 L C 0.890 177.641 176.870 -0.198 0.000 1.243 398 L CA -0.153 54.647 54.840 -0.067 0.000 0.822 398 L CB -0.234 41.841 42.059 0.026 0.000 1.101 398 L HN 0.251 nan 8.230 nan 0.000 0.507 399 G N -0.861 107.855 108.800 -0.140 0.000 2.568 399 G HA2 0.191 4.154 3.960 0.005 0.000 0.293 399 G HA3 0.191 4.154 3.960 0.005 0.000 0.293 399 G C 0.472 175.267 174.900 -0.175 0.000 1.347 399 G CA -0.276 44.679 45.100 -0.243 0.000 1.039 399 G HN 0.814 nan 8.290 nan 0.000 0.523 400 E N -1.339 118.804 120.200 -0.095 0.000 2.033 400 E HA -0.288 4.065 4.350 0.005 0.000 0.199 400 E C 1.943 178.707 176.600 0.273 0.000 1.011 400 E CA 1.646 58.184 56.400 0.230 0.000 0.815 400 E CB -0.334 29.535 29.700 0.281 0.000 0.755 400 E HN 0.496 nan 8.360 nan 0.000 0.451 401 Y N 1.349 121.711 120.300 0.102 0.000 2.081 401 Y HA -0.232 4.321 4.550 0.006 0.000 0.280 401 Y C 2.041 177.991 175.900 0.083 0.000 1.163 401 Y CA 2.162 60.313 58.100 0.086 0.000 1.135 401 Y CB -0.103 38.390 38.460 0.054 0.000 0.970 401 Y HN -0.053 nan 8.280 nan 0.000 0.498 402 K N -1.181 119.183 120.400 -0.059 0.000 2.217 402 K HA -0.147 4.175 4.320 0.005 0.000 0.202 402 K C 1.967 178.536 176.600 -0.052 0.000 1.051 402 K CA 1.169 57.372 56.287 -0.139 0.000 0.952 402 K CB -0.429 32.071 32.500 -0.001 0.000 0.736 402 K HN 0.348 nan 8.250 nan 0.000 0.453 403 F N 2.439 122.336 119.950 -0.087 0.000 2.206 403 F HA -0.125 4.404 4.527 0.003 0.000 0.298 403 F C 2.008 177.797 175.800 -0.019 0.000 1.090 403 F CA 1.372 59.366 58.000 -0.010 0.000 1.323 403 F CB -0.059 39.017 39.000 0.127 0.000 1.028 403 F HN -0.018 nan 8.300 nan 0.000 0.492 404 Q N -0.046 119.682 119.800 -0.120 0.000 2.119 404 Q HA -0.186 4.157 4.340 0.005 0.000 0.201 404 Q C 1.748 177.590 176.000 -0.264 0.000 0.972 404 Q CA 1.450 57.128 55.803 -0.207 0.000 0.847 404 Q CB -0.290 28.408 28.738 -0.067 0.000 0.903 404 Q HN 0.401 nan 8.270 nan 0.000 0.433 405 N N 0.607 119.123 118.700 -0.307 0.000 2.270 405 N HA -0.086 4.657 4.740 0.005 0.000 0.181 405 N C 1.537 176.916 175.510 -0.218 0.000 1.016 405 N CA 1.193 54.083 53.050 -0.266 0.000 0.870 405 N CB -0.295 38.005 38.487 -0.311 0.000 0.979 405 N HN 0.221 nan 8.380 nan 0.000 0.431 406 A N 1.105 123.782 122.820 -0.239 0.000 1.902 406 A HA -0.031 4.292 4.320 0.005 0.000 0.217 406 A C 2.268 179.655 177.584 -0.329 0.000 1.181 406 A CA 0.897 52.796 52.037 -0.230 0.000 0.623 406 A CB -0.711 18.183 19.000 -0.177 0.000 0.818 406 A HN 0.210 nan 8.150 nan 0.000 0.443 407 L N -1.075 119.883 121.223 -0.443 0.000 2.141 407 L HA -0.138 4.205 4.340 0.005 0.000 0.209 407 L C 2.465 179.143 176.870 -0.320 0.000 1.094 407 L CA 0.415 54.962 54.840 -0.488 0.000 0.763 407 L CB -0.500 41.349 42.059 -0.350 0.000 0.908 407 L HN 0.303 nan 8.230 nan 0.000 0.437 408 L N -0.368 120.743 121.223 -0.187 0.000 2.017 408 L HA -0.176 4.167 4.340 0.005 0.000 0.208 408 L C 2.450 179.263 176.870 -0.096 0.000 1.073 408 L CA 1.686 56.474 54.840 -0.086 0.000 0.745 408 L CB -0.611 41.398 42.059 -0.084 0.000 0.894 408 L HN -0.030 nan 8.230 nan 0.000 0.432 409 V N -0.835 118.998 119.914 -0.136 0.000 2.427 409 V HA -0.253 3.870 4.120 0.005 0.000 0.248 409 V C 2.684 178.690 176.094 -0.148 0.000 1.051 409 V CA 1.708 63.942 62.300 -0.110 0.000 1.048 409 V CB -0.674 31.089 31.823 -0.101 0.000 0.666 409 V HN 0.423 nan 8.190 nan 0.000 0.456 410 R N -0.972 119.363 120.500 -0.275 0.000 2.081 410 R HA -0.169 4.174 4.340 0.005 0.000 0.235 410 R C 2.284 178.400 176.300 -0.308 0.000 1.131 410 R CA 1.937 57.812 56.100 -0.376 0.000 0.960 410 R CB -0.200 29.704 30.300 -0.659 0.000 0.856 410 R HN 0.552 nan 8.270 nan 0.000 0.436 411 Y N -0.854 119.411 120.300 -0.059 0.000 2.448 411 Y HA 0.076 4.628 4.550 0.002 0.000 0.289 411 Y C 2.346 178.213 175.900 -0.054 0.000 1.114 411 Y CA 0.757 58.828 58.100 -0.049 0.000 1.235 411 Y CB -0.466 37.958 38.460 -0.060 0.000 1.045 411 Y HN 0.008 nan 8.280 nan 0.000 0.554 412 T N 0.184 114.773 114.554 0.058 0.000 2.746 412 T HA -0.153 4.200 4.350 0.005 0.000 0.267 412 T C 1.819 176.486 174.700 -0.055 0.000 1.039 412 T CA 1.438 63.534 62.100 -0.006 0.000 1.142 412 T CB -0.111 68.746 68.868 -0.018 0.000 0.866 412 T HN 0.294 nan 8.240 nan 0.000 0.444 413 K N 0.865 121.242 120.400 -0.038 0.000 2.148 413 K HA -0.024 4.299 4.320 0.005 0.000 0.204 413 K C 2.340 178.927 176.600 -0.023 0.000 1.050 413 K CA 0.959 57.222 56.287 -0.040 0.000 0.942 413 K CB -0.025 32.460 32.500 -0.025 0.000 0.724 413 K HN 0.294 nan 8.250 nan 0.000 0.446 414 K N 0.361 120.773 120.400 0.021 0.000 2.116 414 K HA -0.006 4.317 4.320 0.005 0.000 0.203 414 K C 0.476 177.092 176.600 0.027 0.000 1.052 414 K CA 0.817 57.135 56.287 0.052 0.000 0.952 414 K CB 0.507 33.087 32.500 0.132 0.000 0.729 414 K HN -0.102 nan 8.250 nan 0.000 0.446 415 V N 2.087 122.007 119.914 0.010 0.000 2.464 415 V HA 0.128 4.251 4.120 0.005 0.000 0.255 415 V C -2.406 173.634 176.094 -0.090 0.000 0.946 415 V CA -0.964 61.327 62.300 -0.015 0.000 0.988 415 V CB 1.119 32.961 31.823 0.032 0.000 1.210 415 V HN 0.000 nan 8.190 nan 0.000 0.523 416 P HA -0.101 nan 4.420 nan 0.000 0.225 416 P C 1.287 178.394 177.300 -0.321 0.000 1.148 416 P CA 0.975 63.782 63.100 -0.488 0.000 0.779 416 P CB 0.294 31.205 31.700 -1.316 0.000 0.780 417 Q N -1.015 118.706 119.800 -0.132 0.000 2.297 417 Q HA 0.012 4.355 4.340 0.005 0.000 0.204 417 Q C 0.703 176.727 176.000 0.041 0.000 0.962 417 Q CA 0.407 56.225 55.803 0.025 0.000 0.879 417 Q CB -0.704 28.084 28.738 0.084 0.000 0.947 417 Q HN 0.115 nan 8.270 nan 0.000 0.462 418 V N 1.646 121.576 119.914 0.026 0.000 2.963 418 V HA 0.031 4.154 4.120 0.005 0.000 0.306 418 V C 0.588 176.700 176.094 0.029 0.000 1.077 418 V CA -0.225 62.104 62.300 0.049 0.000 1.124 418 V CB 1.169 33.018 31.823 0.043 0.000 0.987 418 V HN 0.356 nan 8.190 nan 0.000 0.487 419 S N 2.264 117.984 115.700 0.033 0.000 2.576 419 S HA 0.078 4.551 4.470 0.005 0.000 0.276 419 S C 1.128 175.735 174.600 0.013 0.000 1.339 419 S CA 0.090 58.303 58.200 0.020 0.000 1.039 419 S CB 1.126 64.336 63.200 0.016 0.000 0.902 419 S HN 0.764 nan 8.310 nan 0.000 0.516 420 T N 3.591 118.149 114.554 0.006 0.000 2.720 420 T HA -0.032 4.321 4.350 0.005 0.000 0.268 420 T C -0.744 173.959 174.700 0.005 0.000 1.037 420 T CA 1.669 63.770 62.100 0.003 0.000 1.144 420 T CB -1.348 67.514 68.868 -0.009 0.000 0.864 420 T HN 0.708 nan 8.240 nan 0.000 0.444 421 P HA -0.063 nan 4.420 nan 0.000 0.217 421 P C 1.456 178.762 177.300 0.010 0.000 1.150 421 P CA 1.270 64.375 63.100 0.007 0.000 0.832 421 P CB -0.306 31.396 31.700 0.004 0.000 0.787 422 T N 0.826 115.386 114.554 0.010 0.000 2.737 422 T HA -0.060 4.293 4.350 0.005 0.000 0.265 422 T C 2.022 176.723 174.700 0.001 0.000 1.038 422 T CA 1.007 63.112 62.100 0.009 0.000 1.144 422 T CB -0.845 68.034 68.868 0.019 0.000 0.866 422 T HN 0.043 nan 8.240 nan 0.000 0.434 423 L N 0.785 122.011 121.223 0.005 0.000 2.079 423 L HA -0.108 4.235 4.340 0.005 0.000 0.210 423 L C 2.627 179.503 176.870 0.010 0.000 1.081 423 L CA 0.879 55.722 54.840 0.006 0.000 0.752 423 L CB -0.619 41.449 42.059 0.016 0.000 0.896 423 L HN 0.160 nan 8.230 nan 0.000 0.433 424 V N -0.219 119.704 119.914 0.014 0.000 2.295 424 V HA -0.308 3.815 4.120 0.005 0.000 0.246 424 V C 2.451 178.557 176.094 0.020 0.000 1.049 424 V CA 2.082 64.394 62.300 0.021 0.000 1.024 424 V CB -0.458 31.382 31.823 0.029 0.000 0.648 424 V HN 0.514 nan 8.190 nan 0.000 0.447 425 E N 0.155 120.363 120.200 0.014 0.000 2.031 425 E HA -0.201 4.152 4.350 0.005 0.000 0.193 425 E C 2.199 178.797 176.600 -0.003 0.000 0.994 425 E CA 1.904 58.311 56.400 0.011 0.000 0.800 425 E CB -0.071 29.635 29.700 0.009 0.000 0.752 425 E HN 0.388 nan 8.360 nan 0.000 0.447 426 V N 0.920 120.819 119.914 -0.025 0.000 2.255 426 V HA -0.299 3.824 4.120 0.005 0.000 0.247 426 V C 2.456 178.522 176.094 -0.047 0.000 1.051 426 V CA 2.140 64.402 62.300 -0.064 0.000 1.018 426 V CB -0.720 31.032 31.823 -0.117 0.000 0.641 426 V HN 0.280 nan 8.190 nan 0.000 0.445 427 S N -0.360 115.333 115.700 -0.011 0.000 2.382 427 S HA -0.194 4.279 4.470 0.005 0.000 0.228 427 S C 2.030 176.635 174.600 0.008 0.000 1.027 427 S CA 1.476 59.688 58.200 0.020 0.000 0.991 427 S CB -0.361 62.858 63.200 0.031 0.000 0.823 427 S HN 0.550 nan 8.310 nan 0.000 0.469 428 R N 1.613 122.124 120.500 0.019 0.000 2.073 428 R HA 0.011 4.354 4.340 0.005 0.000 0.234 428 R C 1.923 178.249 176.300 0.044 0.000 1.134 428 R CA 1.376 57.502 56.100 0.044 0.000 0.952 428 R CB -0.500 29.832 30.300 0.054 0.000 0.850 428 R HN 0.379 nan 8.270 nan 0.000 0.433 429 N N 0.744 119.456 118.700 0.020 0.000 2.244 429 N HA -0.120 4.623 4.740 0.005 0.000 0.183 429 N C 1.699 177.213 175.510 0.007 0.000 1.016 429 N CA 0.847 53.901 53.050 0.007 0.000 0.866 429 N CB -0.142 38.342 38.487 -0.005 0.000 0.980 429 N HN 0.061 nan 8.380 nan 0.000 0.430 430 L N 1.043 122.272 121.223 0.011 0.000 2.046 430 L HA -0.008 4.335 4.340 0.005 0.000 0.208 430 L C 2.368 179.308 176.870 0.117 0.000 1.077 430 L CA 1.350 56.212 54.840 0.036 0.000 0.747 430 L CB -1.586 40.491 42.059 0.029 0.000 0.896 430 L HN 0.140 nan 8.230 nan 0.000 0.432 431 G N -0.792 108.085 108.800 0.129 0.000 2.421 431 G HA2 -0.270 3.692 3.960 0.005 0.000 0.216 431 G HA3 -0.270 3.692 3.960 0.005 0.000 0.216 431 G C 1.744 176.781 174.900 0.229 0.000 1.171 431 G CA 0.619 45.900 45.100 0.300 0.000 0.775 431 G HN 0.345 nan 8.290 nan 0.000 0.543 432 K N 0.024 120.481 120.400 0.095 0.000 2.063 432 K HA -0.058 4.265 4.320 0.005 0.000 0.208 432 K C 2.562 179.088 176.600 -0.123 0.000 1.048 432 K CA 1.193 57.479 56.287 -0.002 0.000 0.928 432 K CB -0.377 32.097 32.500 -0.043 0.000 0.713 432 K HN 0.234 nan 8.250 nan 0.000 0.442 433 V N 0.999 120.841 119.914 -0.120 0.000 2.332 433 V HA -0.216 3.907 4.120 0.005 0.000 0.248 433 V C 2.426 178.420 176.094 -0.167 0.000 1.055 433 V CA 2.213 64.407 62.300 -0.176 0.000 1.038 433 V CB -1.086 30.716 31.823 -0.035 0.000 0.651 433 V HN 0.513 nan 8.190 nan 0.000 0.450 434 G N 0.131 108.848 108.800 -0.137 0.000 2.440 434 G HA2 -0.299 3.664 3.960 0.005 0.000 0.218 434 G HA3 -0.299 3.664 3.960 0.005 0.000 0.218 434 G C 1.893 176.217 174.900 -0.960 0.000 1.154 434 G CA 1.453 46.286 45.100 -0.445 0.000 0.767 434 G HN 0.652 nan 8.290 nan 0.000 0.552 435 S N -0.110 115.164 115.700 -0.710 0.000 2.406 435 S HA -0.069 4.404 4.470 0.005 0.000 0.228 435 S C 2.143 176.587 174.600 -0.260 0.000 1.020 435 S CA 1.845 59.729 58.200 -0.526 0.000 0.965 435 S CB -0.124 63.155 63.200 0.133 0.000 0.798 435 S HN 0.292 nan 8.310 nan 0.000 0.488 436 K N 0.149 120.419 120.400 -0.217 0.000 2.228 436 K HA 0.148 4.471 4.320 0.005 0.000 0.202 436 K C 1.911 178.514 176.600 0.004 0.000 1.051 436 K CA 1.099 57.311 56.287 -0.126 0.000 0.960 436 K CB -1.119 31.230 32.500 -0.252 0.000 0.743 436 K HN 0.772 nan 8.250 nan 0.000 0.458 437 c N -1.013 117.574 118.600 -0.022 0.000 2.609 437 c HA 0.291 4.864 4.570 0.005 0.000 0.305 437 c C 2.656 176.775 174.090 0.049 0.000 1.319 437 c CA -0.048 56.372 56.329 0.153 0.000 1.793 437 c CB -0.763 41.809 42.510 0.102 0.000 2.260 437 c HN 0.704 nan 8.230 nan 0.000 0.535 438 c N 1.618 120.115 118.600 -0.173 0.000 2.422 438 c HA -0.029 4.544 4.570 0.005 0.000 0.286 438 c C 2.976 177.028 174.090 -0.064 0.000 1.412 438 c CA 1.740 57.970 56.329 -0.165 0.000 1.786 438 c CB -1.577 40.709 42.510 -0.374 0.000 1.835 438 c HN 0.757 nan 8.230 nan 0.000 0.533 439 K N -0.242 120.109 120.400 -0.081 0.000 2.228 439 K HA -0.038 4.285 4.320 0.005 0.000 0.202 439 K C 0.829 177.373 176.600 -0.094 0.000 1.051 439 K CA 0.775 57.011 56.287 -0.085 0.000 0.960 439 K CB -0.630 31.787 32.500 -0.139 0.000 0.743 439 K HN 0.704 nan 8.250 nan 0.000 0.458 440 H N 0.568 119.628 119.070 -0.017 0.000 2.757 440 H HA 0.157 4.716 4.556 0.005 0.000 0.370 440 H C -2.252 173.070 175.328 -0.009 0.000 1.172 440 H CA -1.815 54.228 56.048 -0.008 0.000 1.426 440 H CB 0.907 30.666 29.762 -0.006 0.000 1.438 440 H HN 0.142 nan 8.280 nan 0.000 0.612 441 P HA 0.009 nan 4.420 nan 0.000 0.275 441 P C 0.962 178.300 177.300 0.063 0.000 1.228 441 P CA -0.167 62.977 63.100 0.073 0.000 0.786 441 P CB 0.770 32.504 31.700 0.056 0.000 0.927 442 E N 2.709 122.932 120.200 0.039 0.000 2.164 442 E HA -0.343 4.010 4.350 0.005 0.000 0.206 442 E C 1.499 178.110 176.600 0.019 0.000 1.032 442 E CA 1.891 58.306 56.400 0.025 0.000 0.832 442 E CB -0.357 29.355 29.700 0.020 0.000 0.742 442 E HN 0.508 nan 8.360 nan 0.000 0.460 443 A N -0.028 122.805 122.820 0.021 0.000 2.178 443 A HA -0.116 4.207 4.320 0.005 0.000 0.218 443 A C 2.102 179.682 177.584 -0.006 0.000 1.157 443 A CA 2.104 54.151 52.037 0.017 0.000 0.689 443 A CB -0.525 18.481 19.000 0.011 0.000 0.787 443 A HN 0.332 nan 8.150 nan 0.000 0.465 444 K N -0.464 119.922 120.400 -0.023 0.000 2.402 444 K HA 0.304 4.627 4.320 0.005 0.000 0.204 444 K C 1.666 178.180 176.600 -0.143 0.000 1.056 444 K CA 0.361 56.589 56.287 -0.098 0.000 1.069 444 K CB -0.279 32.138 32.500 -0.138 0.000 0.888 444 K HN 0.554 nan 8.250 nan 0.000 0.546 445 R N -0.213 120.251 120.500 -0.061 0.000 2.070 445 R HA 0.060 4.403 4.340 0.005 0.000 0.233 445 R C 2.407 178.671 176.300 -0.060 0.000 1.137 445 R CA 1.883 57.956 56.100 -0.045 0.000 0.945 445 R CB -0.343 29.953 30.300 -0.007 0.000 0.845 445 R HN 0.390 nan 8.270 nan 0.000 0.430 446 M N 0.318 119.883 119.600 -0.057 0.000 2.082 446 M HA -0.127 4.356 4.480 0.005 0.000 0.258 446 M C -0.849 175.405 176.300 -0.078 0.000 1.069 446 M CA 2.020 57.280 55.300 -0.067 0.000 1.102 446 M CB -0.791 31.759 32.600 -0.083 0.000 1.336 446 M HN -0.029 nan 8.290 nan 0.000 0.404 447 P HA -0.140 nan 4.420 nan 0.000 0.217 447 P C 1.608 178.834 177.300 -0.125 0.000 1.150 447 P CA 1.132 64.164 63.100 -0.114 0.000 0.832 447 P CB -0.252 31.371 31.700 -0.129 0.000 0.787 448 c N -0.211 118.307 118.600 -0.137 0.000 2.442 448 c HA -0.087 4.486 4.570 0.005 0.000 0.279 448 c C 2.840 176.938 174.090 0.012 0.000 1.237 448 c CA 1.682 57.945 56.329 -0.109 0.000 1.722 448 c CB -1.620 40.828 42.510 -0.103 0.000 2.056 448 c HN 0.220 nan 8.230 nan 0.000 0.469 449 A N -0.064 122.780 122.820 0.040 0.000 1.908 449 A HA -0.265 4.058 4.320 0.005 0.000 0.218 449 A C 2.178 179.796 177.584 0.058 0.000 1.181 449 A CA 2.177 54.262 52.037 0.080 0.000 0.627 449 A CB -1.037 17.984 19.000 0.034 0.000 0.818 449 A HN 0.842 nan 8.150 nan 0.000 0.445 450 E N -0.347 119.855 120.200 0.003 0.000 2.058 450 E HA -0.297 4.056 4.350 0.005 0.000 0.194 450 E C 1.745 178.355 176.600 0.017 0.000 0.997 450 E CA 1.607 58.014 56.400 0.011 0.000 0.801 450 E CB -0.252 29.438 29.700 -0.016 0.000 0.746 450 E HN 0.569 nan 8.360 nan 0.000 0.450 451 D N -0.860 119.503 120.400 -0.062 0.000 2.092 451 D HA -0.202 4.441 4.640 0.005 0.000 0.193 451 D C 1.752 177.981 176.300 -0.118 0.000 0.994 451 D CA 1.484 55.397 54.000 -0.144 0.000 0.828 451 D CB -0.233 40.364 40.800 -0.340 0.000 0.963 451 D HN 0.276 nan 8.370 nan 0.000 0.450 452 Y N -0.389 119.918 120.300 0.012 0.000 2.220 452 Y HA 0.026 4.578 4.550 0.004 0.000 0.291 452 Y C 2.102 178.003 175.900 0.000 0.000 1.129 452 Y CA 0.363 58.469 58.100 0.010 0.000 1.161 452 Y CB -0.610 37.856 38.460 0.010 0.000 0.997 452 Y HN 0.046 nan 8.280 nan 0.000 0.522 453 L N -0.053 121.264 121.223 0.157 0.000 2.083 453 L HA -0.193 4.150 4.340 0.005 0.000 0.209 453 L C 2.614 179.506 176.870 0.037 0.000 1.083 453 L CA 1.934 56.816 54.840 0.069 0.000 0.752 453 L CB -1.135 40.952 42.059 0.045 0.000 0.899 453 L HN 0.330 nan 8.230 nan 0.000 0.433 454 S N -1.867 113.863 115.700 0.050 0.000 2.359 454 S HA -0.222 4.251 4.470 0.005 0.000 0.224 454 S C 2.087 176.699 174.600 0.019 0.000 1.035 454 S CA 1.599 59.820 58.200 0.035 0.000 1.018 454 S CB -1.319 61.903 63.200 0.037 0.000 0.876 454 S HN 0.282 nan 8.310 nan 0.000 0.448 455 V N 1.467 121.401 119.914 0.032 0.000 2.358 455 V HA -0.082 4.041 4.120 0.005 0.000 0.246 455 V C 2.428 178.532 176.094 0.017 0.000 1.047 455 V CA 1.932 64.250 62.300 0.030 0.000 1.035 455 V CB -0.538 31.322 31.823 0.061 0.000 0.658 455 V HN 0.495 nan 8.190 nan 0.000 0.452 456 V N -0.069 119.854 119.914 0.014 0.000 2.343 456 V HA -0.215 3.908 4.120 0.005 0.000 0.247 456 V C 2.487 178.529 176.094 -0.086 0.000 1.051 456 V CA 2.060 64.342 62.300 -0.029 0.000 1.036 456 V CB -0.710 31.090 31.823 -0.037 0.000 0.654 456 V HN 0.475 nan 8.190 nan 0.000 0.451 457 L N 0.366 121.531 121.223 -0.098 0.000 2.156 457 L HA -0.076 4.267 4.340 0.005 0.000 0.208 457 L C 2.165 178.998 176.870 -0.060 0.000 1.095 457 L CA 1.815 56.562 54.840 -0.155 0.000 0.770 457 L CB -1.196 40.793 42.059 -0.117 0.000 0.914 457 L HN 0.430 nan 8.230 nan 0.000 0.439 458 N N -1.338 117.353 118.700 -0.014 0.000 2.171 458 N HA -0.214 4.529 4.740 0.005 0.000 0.184 458 N C 2.020 177.536 175.510 0.010 0.000 1.021 458 N CA 1.279 54.338 53.050 0.015 0.000 0.854 458 N CB -0.040 38.456 38.487 0.014 0.000 0.994 458 N HN 0.238 nan 8.380 nan 0.000 0.426 459 Q N -0.018 119.781 119.800 -0.002 0.000 2.096 459 Q HA -0.087 4.256 4.340 0.005 0.000 0.204 459 Q C 2.208 178.208 176.000 -0.000 0.000 0.982 459 Q CA 1.540 57.346 55.803 0.004 0.000 0.850 459 Q CB -0.929 27.810 28.738 0.003 0.000 0.901 459 Q HN 0.615 nan 8.270 nan 0.000 0.422 460 L N 0.061 121.263 121.223 -0.036 0.000 2.046 460 L HA -0.053 4.290 4.340 0.005 0.000 0.208 460 L C 2.520 179.406 176.870 0.027 0.000 1.077 460 L CA 2.397 57.209 54.840 -0.047 0.000 0.747 460 L CB -1.176 40.779 42.059 -0.173 0.000 0.896 460 L HN 0.535 nan 8.230 nan 0.000 0.432 461 c N -1.621 117.006 118.600 0.044 0.000 2.440 461 c HA -0.057 4.516 4.570 0.005 0.000 0.278 461 c C 2.734 176.894 174.090 0.117 0.000 1.295 461 c CA 0.757 57.153 56.329 0.112 0.000 1.738 461 c CB -0.711 41.869 42.510 0.117 0.000 1.987 461 c HN 0.508 nan 8.230 nan 0.000 0.492 462 V N 1.138 121.094 119.914 0.071 0.000 2.261 462 V HA -0.219 3.904 4.120 0.005 0.000 0.246 462 V C 2.367 178.496 176.094 0.057 0.000 1.047 462 V CA 1.865 64.197 62.300 0.053 0.000 1.015 462 V CB -0.659 31.183 31.823 0.031 0.000 0.642 462 V HN 0.526 nan 8.190 nan 0.000 0.446 463 L N -0.517 120.742 121.223 0.060 0.000 1.956 463 L HA -0.280 4.063 4.340 0.005 0.000 0.216 463 L C 2.655 179.564 176.870 0.066 0.000 1.073 463 L CA 2.448 57.319 54.840 0.052 0.000 0.762 463 L CB -1.250 40.840 42.059 0.051 0.000 0.889 463 L HN 0.468 nan 8.230 nan 0.000 0.433 464 H N 0.426 119.507 119.070 0.019 0.000 2.394 464 H HA -0.258 4.302 4.556 0.006 0.000 0.297 464 H C 2.187 177.530 175.328 0.024 0.000 1.113 464 H CA 2.255 58.319 56.048 0.028 0.000 1.277 464 H CB 0.136 29.927 29.762 0.049 0.000 1.370 464 H HN 0.440 nan 8.280 nan 0.000 0.506 465 E N 0.446 120.696 120.200 0.085 0.000 2.085 465 E HA -0.170 4.183 4.350 0.005 0.000 0.194 465 E C 2.195 178.770 176.600 -0.041 0.000 0.994 465 E CA 1.334 57.753 56.400 0.032 0.000 0.801 465 E CB 0.148 29.879 29.700 0.053 0.000 0.743 465 E HN 0.500 nan 8.360 nan 0.000 0.453 466 K N -0.776 119.603 120.400 -0.034 0.000 2.062 466 K HA -0.006 4.317 4.320 0.005 0.000 0.205 466 K C 0.622 177.180 176.600 -0.071 0.000 1.051 466 K CA 1.268 57.531 56.287 -0.040 0.000 0.941 466 K CB 0.272 32.761 32.500 -0.019 0.000 0.719 466 K HN -0.035 nan 8.250 nan 0.000 0.440 467 T N 2.984 117.475 114.554 -0.104 0.000 3.377 467 T HA 0.240 4.593 4.350 0.005 0.000 0.270 467 T C -2.675 171.872 174.700 -0.256 0.000 1.586 467 T CA -1.386 60.641 62.100 -0.122 0.000 1.487 467 T CB 0.952 69.779 68.868 -0.068 0.000 0.994 467 T HN -0.091 nan 8.240 nan 0.000 0.689 468 P HA 0.052 nan 4.420 nan 0.000 0.263 468 P C 0.328 177.444 177.300 -0.307 0.000 1.168 468 P CA 0.292 63.072 63.100 -0.533 0.000 0.759 468 P CB 0.819 32.378 31.700 -0.235 0.000 0.782 469 V N 0.815 120.595 119.914 -0.225 0.000 3.193 469 V HA 0.115 4.238 4.120 0.005 0.000 0.237 469 V C 0.481 176.686 176.094 0.186 0.000 1.447 469 V CA 0.545 62.879 62.300 0.056 0.000 1.227 469 V CB 0.879 32.760 31.823 0.096 0.000 1.040 469 V HN 0.530 nan 8.190 nan 0.000 0.458 470 S N 0.863 116.808 115.700 0.408 0.000 2.557 470 S HA 0.299 4.772 4.470 0.005 0.000 0.291 470 S C 0.578 175.284 174.600 0.177 0.000 1.116 470 S CA -0.132 58.200 58.200 0.220 0.000 0.992 470 S CB 1.643 64.921 63.200 0.129 0.000 1.028 470 S HN 0.546 nan 8.310 nan 0.000 0.484 471 D N 5.046 125.503 120.400 0.095 0.000 2.144 471 D HA -0.169 4.474 4.640 0.005 0.000 0.200 471 D C 1.459 177.759 176.300 -0.001 0.000 0.978 471 D CA 0.932 54.967 54.000 0.057 0.000 0.833 471 D CB -0.130 40.692 40.800 0.036 0.000 0.961 471 D HN 0.555 nan 8.370 nan 0.000 0.470 472 R N 0.623 121.107 120.500 -0.026 0.000 2.083 472 R HA -0.049 4.294 4.340 0.005 0.000 0.237 472 R C 2.717 178.902 176.300 -0.191 0.000 1.137 472 R CA 1.225 57.270 56.100 -0.091 0.000 0.951 472 R CB -0.613 29.646 30.300 -0.068 0.000 0.851 472 R HN 0.085 nan 8.270 nan 0.000 0.434 473 V N 0.591 120.385 119.914 -0.201 0.000 2.407 473 V HA -0.250 3.873 4.120 0.005 0.000 0.248 473 V C 2.041 177.955 176.094 -0.300 0.000 1.055 473 V CA 2.223 64.329 62.300 -0.324 0.000 1.049 473 V CB -0.602 30.898 31.823 -0.538 0.000 0.662 473 V HN 0.436 nan 8.190 nan 0.000 0.455 474 T N -0.694 113.769 114.554 -0.151 0.000 2.821 474 T HA -0.205 4.148 4.350 0.005 0.000 0.267 474 T C 1.950 176.623 174.700 -0.046 0.000 1.046 474 T CA 1.628 63.730 62.100 0.004 0.000 1.139 474 T CB -0.142 68.804 68.868 0.129 0.000 0.871 474 T HN 0.469 nan 8.240 nan 0.000 0.454 475 K N 0.272 120.615 120.400 -0.094 0.000 2.026 475 K HA -0.094 4.229 4.320 0.005 0.000 0.208 475 K C 2.395 178.904 176.600 -0.151 0.000 1.048 475 K CA 1.345 57.574 56.287 -0.098 0.000 0.929 475 K CB -0.328 32.111 32.500 -0.102 0.000 0.713 475 K HN 0.320 nan 8.250 nan 0.000 0.439 476 c N 0.269 118.685 118.600 -0.308 0.000 2.446 476 c HA -0.085 4.488 4.570 0.005 0.000 0.277 476 c C 2.831 176.812 174.090 -0.181 0.000 1.275 476 c CA 0.326 56.394 56.329 -0.435 0.000 1.727 476 c CB -0.882 40.891 42.510 -1.229 0.000 2.010 476 c HN 0.649 nan 8.230 nan 0.000 0.486 477 c N 1.070 119.617 118.600 -0.088 0.000 2.432 477 c HA -0.062 4.511 4.570 0.005 0.000 0.280 477 c C 2.648 176.787 174.090 0.082 0.000 1.353 477 c CA 1.916 58.293 56.329 0.080 0.000 1.766 477 c CB -1.595 40.978 42.510 0.105 0.000 1.924 477 c HN 0.834 nan 8.230 nan 0.000 0.509 478 T N -2.420 112.162 114.554 0.046 0.000 3.054 478 T HA 0.123 4.476 4.350 0.005 0.000 0.255 478 T C 0.236 174.988 174.700 0.087 0.000 1.035 478 T CA 0.091 62.230 62.100 0.065 0.000 0.941 478 T CB 0.122 69.013 68.868 0.038 0.000 1.026 478 T HN 0.438 nan 8.240 nan 0.000 0.533 479 E N 2.320 122.555 120.200 0.057 0.000 2.435 479 E HA 0.328 4.681 4.350 0.005 0.000 0.254 479 E C 0.266 176.930 176.600 0.106 0.000 1.289 479 E CA -0.189 56.240 56.400 0.048 0.000 0.983 479 E CB 0.562 30.251 29.700 -0.019 0.000 1.010 479 E HN 0.243 nan 8.360 nan 0.000 0.509 480 S N 0.550 116.281 115.700 0.051 0.000 2.558 480 S HA -0.050 4.423 4.470 0.005 0.000 0.288 480 S C 1.278 175.806 174.600 -0.120 0.000 1.318 480 S CA -0.018 58.178 58.200 -0.007 0.000 1.056 480 S CB 0.041 63.221 63.200 -0.035 0.000 0.853 480 S HN 0.576 nan 8.310 nan 0.000 0.505 481 L N 6.295 127.246 121.223 -0.454 0.000 2.089 481 L HA -0.060 4.283 4.340 0.005 0.000 0.213 481 L C 1.964 178.730 176.870 -0.174 0.000 1.079 481 L CA 2.012 56.535 54.840 -0.529 0.000 0.758 481 L CB -0.672 40.767 42.059 -1.034 0.000 0.891 481 L HN 0.607 nan 8.230 nan 0.000 0.433 482 V N -0.342 119.485 119.914 -0.146 0.000 3.129 482 V HA -0.097 4.026 4.120 0.005 0.000 0.259 482 V C 1.904 177.968 176.094 -0.050 0.000 1.116 482 V CA 1.598 63.854 62.300 -0.075 0.000 1.127 482 V CB -0.679 31.092 31.823 -0.087 0.000 0.742 482 V HN 0.580 nan 8.190 nan 0.000 0.474 483 N N -0.493 118.180 118.700 -0.046 0.000 2.373 483 N HA 0.008 4.751 4.740 0.005 0.000 0.181 483 N C 1.864 177.370 175.510 -0.007 0.000 1.082 483 N CA -0.096 52.938 53.050 -0.028 0.000 0.885 483 N CB 0.167 38.636 38.487 -0.031 0.000 0.977 483 N HN 0.333 nan 8.380 nan 0.000 0.462 484 R N 1.866 122.378 120.500 0.021 0.000 2.132 484 R HA -0.162 4.181 4.340 0.005 0.000 0.233 484 R C 2.302 178.700 176.300 0.163 0.000 1.125 484 R CA 1.597 57.748 56.100 0.085 0.000 0.914 484 R CB -0.098 30.280 30.300 0.131 0.000 0.845 484 R HN 0.050 nan 8.270 nan 0.000 0.431 485 R N 0.089 120.677 120.500 0.147 0.000 2.081 485 R HA -0.067 4.276 4.340 0.005 0.000 0.235 485 R C -0.844 175.531 176.300 0.124 0.000 1.131 485 R CA 1.718 57.916 56.100 0.163 0.000 0.960 485 R CB -1.406 28.943 30.300 0.082 0.000 0.856 485 R HN 0.305 nan 8.270 nan 0.000 0.436 486 P HA -0.110 nan 4.420 nan 0.000 0.216 486 P C 1.664 178.974 177.300 0.016 0.000 1.150 486 P CA 0.991 64.107 63.100 0.026 0.000 0.837 486 P CB -0.289 31.408 31.700 -0.006 0.000 0.786 487 c N -1.841 116.745 118.600 -0.024 0.000 2.413 487 c HA -0.158 4.415 4.570 0.005 0.000 0.276 487 c C 2.387 176.386 174.090 -0.152 0.000 1.248 487 c CA 0.796 57.052 56.329 -0.121 0.000 1.742 487 c CB -2.148 40.231 42.510 -0.219 0.000 2.017 487 c HN 0.062 nan 8.230 nan 0.000 0.481 488 F N 1.269 121.201 119.950 -0.029 0.000 2.186 488 F HA -0.040 4.492 4.527 0.007 0.000 0.299 488 F C 2.781 178.579 175.800 -0.004 0.000 1.090 488 F CA 1.849 59.825 58.000 -0.039 0.000 1.307 488 F CB -0.727 38.227 39.000 -0.077 0.000 1.019 488 F HN 0.116 nan 8.300 nan 0.000 0.489 489 S N -0.261 115.548 115.700 0.183 0.000 2.399 489 S HA -0.163 4.310 4.470 0.005 0.000 0.231 489 S C 2.185 176.839 174.600 0.090 0.000 1.022 489 S CA 1.012 59.291 58.200 0.132 0.000 0.983 489 S CB -0.542 62.712 63.200 0.089 0.000 0.803 489 S HN 0.349 nan 8.310 nan 0.000 0.480 490 A N 0.614 123.464 122.820 0.051 0.000 2.206 490 A HA 0.289 4.612 4.320 0.005 0.000 0.211 490 A C 0.750 178.348 177.584 0.023 0.000 1.158 490 A CA 0.074 52.125 52.037 0.023 0.000 0.761 490 A CB -0.360 18.637 19.000 -0.006 0.000 0.801 490 A HN 0.402 nan 8.150 nan 0.000 0.473 491 L N 0.701 121.948 121.223 0.040 0.000 2.483 491 L HA 0.101 4.444 4.340 0.005 0.000 0.276 491 L C 0.454 177.356 176.870 0.054 0.000 1.213 491 L CA 0.342 55.206 54.840 0.041 0.000 0.843 491 L CB 0.283 42.389 42.059 0.079 0.000 1.107 491 L HN 0.385 nan 8.230 nan 0.000 0.487 492 E N 0.684 120.907 120.200 0.039 0.000 2.339 492 E HA 0.396 4.749 4.350 0.005 0.000 0.262 492 E C -1.020 175.601 176.600 0.036 0.000 0.934 492 E CA -1.101 55.320 56.400 0.035 0.000 0.802 492 E CB 2.216 31.931 29.700 0.024 0.000 1.275 492 E HN 0.194 nan 8.360 nan 0.000 0.427 493 V N 1.809 121.741 119.914 0.030 0.000 2.814 493 V HA -0.115 4.008 4.120 0.005 0.000 0.307 493 V C 0.292 176.409 176.094 0.037 0.000 1.089 493 V CA 0.624 62.941 62.300 0.028 0.000 1.212 493 V CB 0.297 32.134 31.823 0.023 0.000 0.912 493 V HN 0.636 nan 8.190 nan 0.000 0.497 494 D N 4.130 124.556 120.400 0.043 0.000 2.402 494 D HA 0.264 4.907 4.640 0.005 0.000 0.235 494 D C 1.096 177.454 176.300 0.098 0.000 1.226 494 D CA 0.626 54.667 54.000 0.069 0.000 0.918 494 D CB 1.411 42.257 40.800 0.076 0.000 1.043 494 D HN 0.800 nan 8.370 nan 0.000 0.506 495 E N 2.171 122.415 120.200 0.073 0.000 2.150 495 E HA -0.156 4.197 4.350 0.005 0.000 0.193 495 E C 1.790 178.437 176.600 0.078 0.000 0.985 495 E CA 1.473 57.913 56.400 0.066 0.000 0.814 495 E CB -0.686 29.039 29.700 0.043 0.000 0.752 495 E HN 0.522 nan 8.360 nan 0.000 0.466 496 T N -0.459 114.147 114.554 0.086 0.000 2.737 496 T HA -0.011 4.342 4.350 0.005 0.000 0.265 496 T C 0.833 175.596 174.700 0.106 0.000 1.038 496 T CA 0.718 62.867 62.100 0.081 0.000 1.144 496 T CB -0.537 68.378 68.868 0.078 0.000 0.866 496 T HN 0.556 nan 8.240 nan 0.000 0.434 497 Y N 2.767 123.083 120.300 0.027 0.000 3.119 497 Y HA 0.005 4.558 4.550 0.005 0.000 0.348 497 Y C -0.413 175.505 175.900 0.031 0.000 1.267 497 Y CA -0.490 57.629 58.100 0.032 0.000 1.578 497 Y CB 0.135 38.618 38.460 0.037 0.000 1.198 497 Y HN -0.093 nan 8.280 nan 0.000 0.615 498 V N 9.072 128.507 119.914 -0.798 0.000 2.357 498 V HA 0.293 4.416 4.120 0.005 0.000 0.284 498 V C -1.984 173.537 176.094 -0.955 0.000 1.018 498 V CA -2.121 59.808 62.300 -0.617 0.000 0.841 498 V CB 1.063 32.701 31.823 -0.308 0.000 0.991 498 V HN 0.731 nan 8.190 nan 0.000 0.437 499 P HA -0.002 nan 4.420 nan 0.000 0.266 499 P C -0.038 177.244 177.300 -0.031 0.000 1.180 499 P CA 0.206 63.206 63.100 -0.167 0.000 0.765 499 P CB 0.337 32.023 31.700 -0.024 0.000 0.806 500 K N 1.771 122.286 120.400 0.192 0.000 2.185 500 K HA 0.168 4.491 4.320 0.005 0.000 0.271 500 K C 0.349 177.114 176.600 0.276 0.000 1.013 500 K CA -0.599 55.805 56.287 0.195 0.000 0.943 500 K CB 0.357 32.984 32.500 0.213 0.000 0.998 500 K HN 0.523 nan 8.250 nan 0.000 0.468 501 E N 0.757 121.056 120.200 0.165 0.000 2.392 501 E HA 0.072 4.425 4.350 0.005 0.000 0.264 501 E C -0.001 176.649 176.600 0.084 0.000 1.024 501 E CA -0.153 56.356 56.400 0.183 0.000 0.903 501 E CB 0.307 30.075 29.700 0.113 0.000 0.963 501 E HN 0.432 nan 8.360 nan 0.000 0.432 502 F N 3.474 123.366 119.950 -0.096 0.000 2.626 502 F HA -0.034 4.496 4.527 0.005 0.000 0.354 502 F C 0.342 176.087 175.800 -0.093 0.000 1.168 502 F CA 0.498 58.290 58.000 -0.347 0.000 1.368 502 F CB 0.442 39.348 39.000 -0.157 0.000 1.092 502 F HN 0.297 nan 8.300 nan 0.000 0.612 503 N N 4.037 122.104 118.700 -1.055 0.000 2.594 503 N HA 0.282 5.025 4.740 0.005 0.000 0.280 503 N C 0.214 175.223 175.510 -0.834 0.000 1.156 503 N CA 0.278 52.937 53.050 -0.653 0.000 0.831 503 N CB 1.594 39.850 38.487 -0.386 0.000 1.379 503 N HN 0.817 nan 8.380 nan 0.000 0.536 504 A N 3.426 125.957 122.820 -0.482 0.000 1.881 504 A HA -0.302 4.021 4.320 0.005 0.000 0.219 504 A C 2.009 179.544 177.584 -0.081 0.000 1.215 504 A CA 3.040 55.035 52.037 -0.070 0.000 0.648 504 A CB -1.289 17.817 19.000 0.176 0.000 0.832 504 A HN 0.809 nan 8.150 nan 0.000 0.455 505 E N -1.276 118.857 120.200 -0.113 0.000 2.055 505 E HA -0.302 4.051 4.350 0.005 0.000 0.209 505 E C 1.997 178.459 176.600 -0.230 0.000 1.036 505 E CA 2.475 58.804 56.400 -0.117 0.000 0.849 505 E CB -2.086 27.544 29.700 -0.118 0.000 0.767 505 E HN 0.669 nan 8.360 nan 0.000 0.461 506 T N -0.461 113.864 114.554 -0.382 0.000 2.836 506 T HA -0.126 4.227 4.350 0.005 0.000 0.268 506 T C 0.873 175.087 174.700 -0.810 0.000 1.080 506 T CA 1.513 63.234 62.100 -0.632 0.000 1.128 506 T CB -0.363 67.994 68.868 -0.850 0.000 0.839 506 T HN 0.448 nan 8.240 nan 0.000 0.507 507 F N 0.695 120.553 119.950 -0.154 0.000 2.688 507 F HA 0.235 4.765 4.527 0.004 0.000 0.310 507 F C 1.154 177.060 175.800 0.176 0.000 1.098 507 F CA -0.836 57.208 58.000 0.074 0.000 1.228 507 F CB -0.024 39.080 39.000 0.174 0.000 1.042 507 F HN -0.037 nan 8.300 nan 0.000 0.557 508 T N -1.496 113.086 114.554 0.047 0.000 2.856 508 T HA 0.582 4.935 4.350 0.005 0.000 0.292 508 T C -0.631 174.005 174.700 -0.106 0.000 0.980 508 T CA -0.199 61.978 62.100 0.129 0.000 1.091 508 T CB 0.927 69.842 68.868 0.079 0.000 0.936 508 T HN -0.078 nan 8.240 nan 0.000 0.503 509 F N 0.928 121.043 119.950 0.275 0.000 2.563 509 F HA 0.566 5.096 4.527 0.005 0.000 0.316 509 F C 0.358 176.129 175.800 -0.049 0.000 1.076 509 F CA -0.999 57.180 58.000 0.299 0.000 0.921 509 F CB 2.019 41.355 39.000 0.560 0.000 1.209 509 F HN 0.664 nan 8.300 nan 0.000 0.462 510 H N -0.284 118.790 119.070 0.007 0.000 2.737 510 H HA 0.608 5.167 4.556 0.005 0.000 0.358 510 H C 0.583 175.328 175.328 -0.971 0.000 1.187 510 H CA -0.388 55.445 56.048 -0.359 0.000 1.221 510 H CB 1.430 31.088 29.762 -0.174 0.000 1.799 510 H HN 0.635 nan 8.280 nan 0.000 0.568 511 A N 0.608 122.911 122.820 -0.862 0.000 2.019 511 A HA -0.206 4.117 4.320 0.005 0.000 0.219 511 A C 1.754 179.124 177.584 -0.356 0.000 1.164 511 A CA 1.712 53.267 52.037 -0.803 0.000 0.644 511 A CB -0.706 18.106 19.000 -0.313 0.000 0.805 511 A HN 0.904 nan 8.150 nan 0.000 0.449 512 D N 0.237 120.515 120.400 -0.202 0.000 2.239 512 D HA -0.196 4.447 4.640 0.005 0.000 0.202 512 D C 1.761 178.018 176.300 -0.073 0.000 0.993 512 D CA 1.591 55.531 54.000 -0.101 0.000 0.874 512 D CB -1.142 39.614 40.800 -0.073 0.000 0.922 512 D HN 0.350 nan 8.370 nan 0.000 0.464 513 I N 0.750 121.269 120.570 -0.085 0.000 2.423 513 I HA -0.248 3.925 4.170 0.005 0.000 0.254 513 I C 2.364 178.485 176.117 0.007 0.000 1.151 513 I CA 1.070 62.378 61.300 0.014 0.000 1.421 513 I CB -1.162 36.902 38.000 0.108 0.000 1.079 513 I HN 0.403 nan 8.210 nan 0.000 0.431 514 c N 0.730 119.311 118.600 -0.031 0.000 2.446 514 c HA -0.056 4.517 4.570 0.005 0.000 0.279 514 c C 2.721 176.807 174.090 -0.006 0.000 1.366 514 c CA 1.334 57.664 56.329 0.001 0.000 1.763 514 c CB -1.810 40.709 42.510 0.014 0.000 1.929 514 c HN 0.807 nan 8.230 nan 0.000 0.509 515 T N -1.849 112.695 114.554 -0.015 0.000 3.040 515 T HA 0.376 4.729 4.350 0.005 0.000 0.250 515 T C 0.594 175.291 174.700 -0.005 0.000 1.058 515 T CA 0.640 62.734 62.100 -0.011 0.000 0.988 515 T CB -0.664 68.194 68.868 -0.015 0.000 0.993 515 T HN 0.414 nan 8.240 nan 0.000 0.519 516 L N 2.482 123.705 121.223 0.000 0.000 2.483 516 L HA 0.707 5.050 4.340 0.005 0.000 0.275 516 L C 0.967 177.841 176.870 0.006 0.000 1.220 516 L CA -0.426 54.419 54.840 0.009 0.000 0.833 516 L CB -0.657 nan 42.059 nan 0.000 1.102 516 L HN 0.703 nan 8.230 nan 0.000 0.490 517 S N 0.307 116.011 115.700 0.007 0.000 2.572 517 S HA 0.158 4.631 4.470 0.005 0.000 0.279 517 S C 1.009 175.608 174.600 -0.002 0.000 1.341 517 S CA 0.528 58.729 58.200 0.002 0.000 1.043 517 S CB 0.756 63.959 63.200 0.005 0.000 0.887 517 S HN 0.974 nan 8.310 nan 0.000 0.516 518 E N 2.804 122.995 120.200 -0.016 0.000 2.136 518 E HA -0.243 4.110 4.350 0.005 0.000 0.202 518 E C 2.264 178.845 176.600 -0.031 0.000 1.019 518 E CA 2.627 59.005 56.400 -0.036 0.000 0.819 518 E CB -0.807 28.865 29.700 -0.047 0.000 0.739 518 E HN 0.874 nan 8.360 nan 0.000 0.458 519 K N 0.783 121.179 120.400 -0.007 0.000 2.057 519 K HA -0.137 4.186 4.320 0.005 0.000 0.207 519 K C 2.082 178.702 176.600 0.033 0.000 1.049 519 K CA 1.768 58.063 56.287 0.014 0.000 0.931 519 K CB -0.867 31.646 32.500 0.022 0.000 0.714 519 K HN 0.474 nan 8.250 nan 0.000 0.440 520 E N -0.162 120.056 120.200 0.031 0.000 2.285 520 E HA -0.069 4.284 4.350 0.005 0.000 0.194 520 E C 2.005 178.645 176.600 0.066 0.000 0.997 520 E CA 0.593 57.021 56.400 0.047 0.000 0.845 520 E CB 0.179 29.900 29.700 0.036 0.000 0.782 520 E HN 0.697 nan 8.360 nan 0.000 0.491 521 E N 1.190 121.421 120.200 0.052 0.000 2.047 521 E HA -0.197 4.156 4.350 0.005 0.000 0.191 521 E C 2.114 178.781 176.600 0.112 0.000 0.987 521 E CA 0.947 57.393 56.400 0.076 0.000 0.799 521 E CB 0.039 29.756 29.700 0.027 0.000 0.752 521 E HN 0.278 nan 8.360 nan 0.000 0.449 522 Q N 0.701 120.541 119.800 0.067 0.000 2.002 522 Q HA -0.170 4.173 4.340 0.005 0.000 0.204 522 Q C 2.438 178.570 176.000 0.220 0.000 0.988 522 Q CA 1.398 57.292 55.803 0.152 0.000 0.843 522 Q CB -0.365 28.443 28.738 0.116 0.000 0.908 522 Q HN 0.350 nan 8.270 nan 0.000 0.420 523 I N 0.658 121.321 120.570 0.155 0.000 2.530 523 I HA -0.302 3.871 4.170 0.005 0.000 0.257 523 I C 2.275 178.471 176.117 0.132 0.000 1.179 523 I CA 1.700 63.078 61.300 0.130 0.000 1.440 523 I CB -0.167 37.887 38.000 0.090 0.000 1.087 523 I HN 0.158 nan 8.210 nan 0.000 0.440 524 K N 1.170 121.667 120.400 0.162 0.000 2.044 524 K HA -0.098 4.225 4.320 0.005 0.000 0.204 524 K C 2.021 178.785 176.600 0.273 0.000 1.049 524 K CA 1.446 57.856 56.287 0.205 0.000 0.945 524 K CB -0.635 32.012 32.500 0.245 0.000 0.724 524 K HN 0.463 nan 8.250 nan 0.000 0.440 525 K N 0.584 121.154 120.400 0.282 0.000 2.057 525 K HA -0.105 4.218 4.320 0.005 0.000 0.206 525 K C 2.571 179.252 176.600 0.136 0.000 1.050 525 K CA 1.547 57.973 56.287 0.232 0.000 0.935 525 K CB -0.014 32.683 32.500 0.328 0.000 0.715 525 K HN 0.479 nan 8.250 nan 0.000 0.439 526 Q N 0.100 119.999 119.800 0.164 0.000 2.226 526 Q HA -0.096 4.247 4.340 0.005 0.000 0.204 526 Q C 1.791 177.832 176.000 0.067 0.000 0.975 526 Q CA 1.374 57.234 55.803 0.095 0.000 0.866 526 Q CB -0.021 28.779 28.738 0.104 0.000 0.915 526 Q HN 0.310 nan 8.270 nan 0.000 0.440 527 T N 0.549 115.152 114.554 0.082 0.000 2.851 527 T HA -0.043 4.310 4.350 0.005 0.000 0.262 527 T C 1.926 176.647 174.700 0.035 0.000 1.043 527 T CA 0.999 63.126 62.100 0.046 0.000 1.140 527 T CB -0.147 68.740 68.868 0.033 0.000 0.872 527 T HN 0.365 nan 8.240 nan 0.000 0.446 528 A N 1.580 124.449 122.820 0.081 0.000 1.902 528 A HA -0.020 4.303 4.320 0.005 0.000 0.217 528 A C 2.209 179.890 177.584 0.161 0.000 1.181 528 A CA 1.169 53.276 52.037 0.117 0.000 0.623 528 A CB -0.816 18.362 19.000 0.296 0.000 0.818 528 A HN 0.386 nan 8.150 nan 0.000 0.443 529 L N 0.097 121.366 121.223 0.076 0.000 2.042 529 L HA -0.130 4.212 4.340 0.005 0.000 0.210 529 L C 2.408 179.326 176.870 0.081 0.000 1.076 529 L CA 2.005 56.880 54.840 0.059 0.000 0.749 529 L CB -0.736 41.326 42.059 0.005 0.000 0.893 529 L HN 0.168 nan 8.230 nan 0.000 0.432 530 V N -0.262 119.687 119.914 0.059 0.000 2.295 530 V HA -0.232 3.891 4.120 0.005 0.000 0.246 530 V C 2.656 178.802 176.094 0.087 0.000 1.049 530 V CA 1.785 64.115 62.300 0.050 0.000 1.024 530 V CB -0.678 31.161 31.823 0.026 0.000 0.648 530 V HN 0.444 nan 8.190 nan 0.000 0.447 531 E N -0.178 120.078 120.200 0.092 0.000 2.110 531 E HA -0.199 4.154 4.350 0.005 0.000 0.193 531 E C 2.091 178.910 176.600 0.365 0.000 0.988 531 E CA 1.020 57.493 56.400 0.121 0.000 0.804 531 E CB -0.427 29.203 29.700 -0.117 0.000 0.745 531 E HN 0.451 nan 8.360 nan 0.000 0.458 532 L N 0.745 122.227 121.223 0.431 0.000 1.989 532 L HA -0.157 4.186 4.340 0.005 0.000 0.211 532 L C 2.289 179.312 176.870 0.255 0.000 1.071 532 L CA 1.504 56.580 54.840 0.393 0.000 0.749 532 L CB -0.797 41.393 42.059 0.218 0.000 0.890 532 L HN -0.093 nan 8.230 nan 0.000 0.431 533 V N -0.236 119.777 119.914 0.165 0.000 2.407 533 V HA -0.280 3.843 4.120 0.005 0.000 0.248 533 V C 2.544 178.729 176.094 0.152 0.000 1.055 533 V CA 1.936 64.304 62.300 0.113 0.000 1.049 533 V CB -0.830 31.023 31.823 0.050 0.000 0.662 533 V HN 0.457 nan 8.190 nan 0.000 0.455 534 K N -0.836 119.674 120.400 0.182 0.000 2.362 534 K HA -0.181 4.142 4.320 0.005 0.000 0.200 534 K C 2.106 178.944 176.600 0.395 0.000 1.046 534 K CA 1.259 57.692 56.287 0.243 0.000 0.952 534 K CB -0.146 32.470 32.500 0.194 0.000 0.753 534 K HN 0.566 nan 8.250 nan 0.000 0.466 535 H N 0.381 119.594 119.070 0.239 0.000 2.451 535 H HA 0.152 4.711 4.556 0.005 0.000 0.294 535 H C -0.064 175.366 175.328 0.171 0.000 1.028 535 H CA 0.806 56.990 56.048 0.228 0.000 1.349 535 H CB 0.678 30.612 29.762 0.286 0.000 1.444 535 H HN -0.252 nan 8.280 nan 0.000 0.538 536 K N 1.672 122.106 120.400 0.057 0.000 2.762 536 K HA 0.195 4.518 4.320 0.005 0.000 0.180 536 K C -2.246 174.376 176.600 0.037 0.000 1.067 536 K CA -1.753 54.508 56.287 -0.043 0.000 0.973 536 K CB 1.517 33.978 32.500 -0.066 0.000 1.290 536 K HN 0.319 nan 8.250 nan 0.000 0.604 537 P HA -0.109 nan 4.420 nan 0.000 0.221 537 P C 0.456 177.787 177.300 0.052 0.000 1.150 537 P CA 0.785 63.943 63.100 0.097 0.000 0.800 537 P CB 0.501 32.323 31.700 0.203 0.000 0.787 538 K N -0.166 120.253 120.400 0.031 0.000 2.458 538 K HA 0.260 4.583 4.320 0.005 0.000 0.194 538 K C 0.965 177.565 176.600 0.001 0.000 1.024 538 K CA -0.234 56.062 56.287 0.014 0.000 1.108 538 K CB -0.101 32.402 32.500 0.006 0.000 0.846 538 K HN 0.068 nan 8.250 nan 0.000 0.518 539 A N 2.155 124.974 122.820 -0.001 0.000 2.440 539 A HA 0.181 4.504 4.320 0.005 0.000 0.251 539 A C 0.756 178.336 177.584 -0.008 0.000 1.089 539 A CA -0.172 51.860 52.037 -0.008 0.000 0.779 539 A CB -0.030 18.965 19.000 -0.008 0.000 1.022 539 A HN 0.334 nan 8.150 nan 0.000 0.492 540 T N 0.467 115.015 114.554 -0.010 0.000 2.816 540 T HA 0.278 4.631 4.350 0.005 0.000 0.282 540 T C 1.013 175.705 174.700 -0.013 0.000 0.993 540 T CA -0.228 61.866 62.100 -0.011 0.000 0.994 540 T CB 0.699 69.561 68.868 -0.010 0.000 1.025 540 T HN 0.626 nan 8.240 nan 0.000 0.529 541 K N 0.721 121.112 120.400 -0.015 0.000 2.063 541 K HA -0.139 4.184 4.320 0.005 0.000 0.208 541 K C 2.917 179.510 176.600 -0.011 0.000 1.048 541 K CA 1.867 58.144 56.287 -0.017 0.000 0.928 541 K CB -0.709 31.780 32.500 -0.018 0.000 0.713 541 K HN 0.874 nan 8.250 nan 0.000 0.442 542 E N 1.745 121.939 120.200 -0.009 0.000 2.058 542 E HA -0.271 4.082 4.350 0.005 0.000 0.194 542 E C 1.869 178.465 176.600 -0.007 0.000 0.997 542 E CA 1.723 58.118 56.400 -0.007 0.000 0.801 542 E CB -0.747 28.949 29.700 -0.007 0.000 0.746 542 E HN 0.498 nan 8.360 nan 0.000 0.450 543 Q N -0.790 119.005 119.800 -0.009 0.000 2.002 543 Q HA -0.119 4.224 4.340 0.005 0.000 0.204 543 Q C 2.412 178.407 176.000 -0.008 0.000 0.988 543 Q CA 1.483 57.279 55.803 -0.011 0.000 0.843 543 Q CB -0.252 28.477 28.738 -0.015 0.000 0.908 543 Q HN 0.410 nan 8.270 nan 0.000 0.420 544 L N 1.235 122.453 121.223 -0.008 0.000 1.989 544 L HA -0.240 4.103 4.340 0.005 0.000 0.211 544 L C 2.341 179.212 176.870 0.002 0.000 1.071 544 L CA 1.917 56.754 54.840 -0.005 0.000 0.749 544 L CB -0.991 41.063 42.059 -0.009 0.000 0.890 544 L HN 0.147 nan 8.230 nan 0.000 0.431 545 K N 0.009 120.409 120.400 0.000 0.000 2.089 545 K HA -0.195 4.128 4.320 0.005 0.000 0.210 545 K C 1.946 178.557 176.600 0.018 0.000 1.048 545 K CA 1.906 58.198 56.287 0.008 0.000 0.926 545 K CB -0.599 31.904 32.500 0.004 0.000 0.714 545 K HN 0.282 nan 8.250 nan 0.000 0.448 546 A N 0.057 122.884 122.820 0.011 0.000 1.877 546 A HA -0.089 4.234 4.320 0.005 0.000 0.216 546 A C 2.390 179.988 177.584 0.024 0.000 1.186 546 A CA 1.861 53.906 52.037 0.013 0.000 0.620 546 A CB -0.832 18.169 19.000 0.002 0.000 0.822 546 A HN 0.130 nan 8.150 nan 0.000 0.443 547 V N 0.104 120.030 119.914 0.020 0.000 2.287 547 V HA -0.344 3.779 4.120 0.005 0.000 0.248 547 V C 2.658 178.799 176.094 0.079 0.000 1.053 547 V CA 2.339 64.658 62.300 0.032 0.000 1.027 547 V CB -0.768 31.059 31.823 0.007 0.000 0.646 547 V HN 0.575 nan 8.190 nan 0.000 0.447 548 M N -0.432 119.210 119.600 0.070 0.000 2.267 548 M HA -0.213 4.270 4.480 0.005 0.000 0.263 548 M C 1.808 178.199 176.300 0.152 0.000 1.063 548 M CA 1.728 57.096 55.300 0.114 0.000 1.090 548 M CB -0.593 32.049 32.600 0.069 0.000 1.392 548 M HN 0.340 nan 8.290 nan 0.000 0.422 549 D N 0.422 120.881 120.400 0.097 0.000 2.149 549 D HA -0.115 4.527 4.640 0.005 0.000 0.201 549 D C 1.579 177.930 176.300 0.085 0.000 0.972 549 D CA 1.040 55.088 54.000 0.081 0.000 0.835 549 D CB -0.161 40.667 40.800 0.046 0.000 0.966 549 D HN 0.240 nan 8.370 nan 0.000 0.476 550 D N -0.318 120.135 120.400 0.088 0.000 2.084 550 D HA -0.142 4.501 4.640 0.005 0.000 0.196 550 D C 1.812 178.195 176.300 0.137 0.000 0.985 550 D CA 0.468 54.513 54.000 0.075 0.000 0.826 550 D CB -0.571 40.253 40.800 0.041 0.000 0.978 550 D HN 0.146 nan 8.370 nan 0.000 0.456 551 F N 1.841 121.822 119.950 0.051 0.000 2.115 551 F HA -0.277 4.253 4.527 0.006 0.000 0.300 551 F C 2.167 178.025 175.800 0.095 0.000 1.092 551 F CA 1.743 59.813 58.000 0.117 0.000 1.245 551 F CB -0.406 38.628 39.000 0.057 0.000 0.995 551 F HN -0.053 nan 8.300 nan 0.000 0.481 552 A N 0.507 123.419 122.820 0.154 0.000 1.849 552 A HA -0.201 4.122 4.320 0.005 0.000 0.217 552 A C 2.483 180.016 177.584 -0.085 0.000 1.202 552 A CA 2.647 54.705 52.037 0.034 0.000 0.629 552 A CB -1.752 17.303 19.000 0.092 0.000 0.834 552 A HN 0.565 nan 8.150 nan 0.000 0.447 553 A N -1.172 121.631 122.820 -0.028 0.000 1.865 553 A HA -0.136 4.187 4.320 0.005 0.000 0.217 553 A C 2.131 179.665 177.584 -0.084 0.000 1.191 553 A CA 1.737 53.747 52.037 -0.045 0.000 0.623 553 A CB -0.996 17.999 19.000 -0.008 0.000 0.826 553 A HN 0.875 nan 8.150 nan 0.000 0.444 554 F N 0.695 120.487 119.950 -0.264 0.000 2.048 554 F HA -0.343 4.187 4.527 0.005 0.000 0.296 554 F C 2.140 177.639 175.800 -0.502 0.000 1.109 554 F CA 2.350 60.126 58.000 -0.373 0.000 1.214 554 F CB -0.315 38.425 39.000 -0.434 0.000 0.963 554 F HN 0.115 nan 8.300 nan 0.000 0.491 555 V N 0.687 120.075 119.914 -0.876 0.000 2.216 555 V HA -0.321 3.802 4.120 0.005 0.000 0.243 555 V C 2.825 178.636 176.094 -0.472 0.000 1.044 555 V CA 2.800 64.566 62.300 -0.890 0.000 0.995 555 V CB -1.750 29.670 31.823 -0.671 0.000 0.633 555 V HN 0.600 nan 8.190 nan 0.000 0.446 556 E N 0.111 120.141 120.200 -0.284 0.000 2.164 556 E HA -0.431 3.922 4.350 0.005 0.000 0.206 556 E C 2.365 178.870 176.600 -0.159 0.000 1.032 556 E CA 2.818 59.119 56.400 -0.165 0.000 0.832 556 E CB -0.971 28.663 29.700 -0.111 0.000 0.742 556 E HN 0.480 nan 8.360 nan 0.000 0.460 557 K N -0.787 119.500 120.400 -0.188 0.000 2.026 557 K HA -0.075 4.248 4.320 0.005 0.000 0.208 557 K C 2.270 178.764 176.600 -0.178 0.000 1.048 557 K CA 1.240 57.439 56.287 -0.147 0.000 0.929 557 K CB -1.205 31.229 32.500 -0.110 0.000 0.713 557 K HN 0.766 nan 8.250 nan 0.000 0.439 558 c N 0.084 118.471 118.600 -0.354 0.000 2.522 558 c HA 0.185 4.758 4.570 0.005 0.000 0.271 558 c C 2.481 176.545 174.090 -0.044 0.000 1.425 558 c CA 0.384 56.498 56.329 -0.359 0.000 1.751 558 c CB -1.624 40.209 42.510 -1.127 0.000 1.775 558 c HN 0.737 nan 8.230 nan 0.000 0.557 559 c N -0.717 117.860 118.600 -0.038 0.000 2.799 559 c HA 0.065 4.638 4.570 0.005 0.000 0.267 559 c C 2.038 176.138 174.090 0.017 0.000 1.257 559 c CA 0.292 56.660 56.329 0.064 0.000 1.702 559 c CB -1.004 41.533 42.510 0.045 0.000 1.934 559 c HN 0.544 nan 8.230 nan 0.000 0.594 560 K N 0.598 120.989 120.400 -0.015 0.000 2.618 560 K HA 0.689 5.012 4.320 0.005 0.000 0.207 560 K C -0.182 176.414 176.600 -0.007 0.000 1.058 560 K CA 0.458 56.736 56.287 -0.014 0.000 1.086 560 K CB -0.001 32.482 32.500 -0.028 0.000 0.827 560 K HN 0.508 nan 8.250 nan 0.000 0.481 561 A N 0.446 123.269 122.820 0.006 0.000 2.539 561 A HA 0.613 4.936 4.320 0.005 0.000 0.296 561 A C -1.086 176.516 177.584 0.030 0.000 1.073 561 A CA -0.809 51.235 52.037 0.012 0.000 0.700 561 A CB 0.916 19.918 19.000 0.002 0.000 1.296 561 A HN 0.433 nan 8.150 nan 0.000 0.405 562 D N 0.904 121.320 120.400 0.025 0.000 2.364 562 D HA 0.349 4.992 4.640 0.005 0.000 0.236 562 D C 0.973 177.300 176.300 0.045 0.000 1.221 562 D CA 1.770 55.788 54.000 0.031 0.000 0.891 562 D CB 0.124 40.938 40.800 0.023 0.000 1.190 562 D HN 1.132 nan 8.370 nan 0.000 0.449 563 D N 0.273 120.700 120.400 0.046 0.000 2.704 563 D HA -0.275 4.368 4.640 0.005 0.000 0.232 563 D C 1.174 177.525 176.300 0.086 0.000 1.183 563 D CA 1.540 55.575 54.000 0.057 0.000 0.647 563 D CB -1.930 38.900 40.800 0.051 0.000 1.013 563 D HN 0.461 nan 8.370 nan 0.000 0.415 564 K N -0.679 119.781 120.400 0.100 0.000 2.107 564 K HA -0.237 4.086 4.320 0.005 0.000 0.211 564 K C 2.239 178.981 176.600 0.237 0.000 1.049 564 K CA 1.818 58.211 56.287 0.176 0.000 0.927 564 K CB -0.070 32.522 32.500 0.153 0.000 0.714 564 K HN 0.613 nan 8.250 nan 0.000 0.452 565 E N 0.630 120.913 120.200 0.138 0.000 2.065 565 E HA -0.250 4.103 4.350 0.005 0.000 0.201 565 E C 2.153 178.852 176.600 0.165 0.000 1.016 565 E CA 2.743 59.219 56.400 0.127 0.000 0.818 565 E CB -0.726 29.023 29.700 0.083 0.000 0.749 565 E HN 0.422 nan 8.360 nan 0.000 0.453 566 T N 0.350 114.983 114.554 0.131 0.000 2.580 566 T HA -0.273 4.080 4.350 0.005 0.000 0.265 566 T C 2.325 177.115 174.700 0.151 0.000 1.063 566 T CA 2.496 64.666 62.100 0.117 0.000 1.170 566 T CB -1.455 nan 68.868 nan 0.000 0.863 566 T HN 0.378 nan 8.240 nan 0.000 0.418 567 c N 0.043 118.734 118.600 0.152 0.000 2.304 567 c HA -0.214 4.359 4.570 0.005 0.000 0.269 567 c C 2.381 176.585 174.090 0.191 0.000 1.136 567 c CA 1.616 58.023 56.329 0.130 0.000 1.796 567 c CB -1.753 40.806 42.510 0.082 0.000 2.017 567 c HN 0.604 nan 8.230 nan 0.000 0.431 568 F N 1.390 121.419 119.950 0.132 0.000 2.120 568 F HA -0.123 4.407 4.527 0.005 0.000 0.300 568 F C 2.536 178.477 175.800 0.235 0.000 1.095 568 F CA 2.010 60.151 58.000 0.235 0.000 1.249 568 F CB -0.834 38.220 39.000 0.091 0.000 0.995 568 F HN 0.356 nan 8.300 nan 0.000 0.480 569 A N -0.458 122.539 122.820 0.295 0.000 2.016 569 A HA 0.001 4.324 4.320 0.005 0.000 0.217 569 A C 2.074 179.735 177.584 0.128 0.000 1.162 569 A CA 1.608 53.748 52.037 0.172 0.000 0.662 569 A CB -1.083 17.986 19.000 0.115 0.000 0.812 569 A HN 0.380 nan 8.150 nan 0.000 0.450 570 E N 0.181 120.453 120.200 0.120 0.000 2.021 570 E HA -0.112 4.241 4.350 0.005 0.000 0.189 570 E C 1.786 178.405 176.600 0.030 0.000 0.980 570 E CA 1.141 57.582 56.400 0.068 0.000 0.803 570 E CB -0.595 29.141 29.700 0.061 0.000 0.766 570 E HN 0.569 nan 8.360 nan 0.000 0.449 571 E N 0.334 120.555 120.200 0.034 0.000 2.274 571 E HA -0.024 4.329 4.350 0.005 0.000 0.194 571 E C 2.352 178.795 176.600 -0.261 0.000 0.996 571 E CA 0.812 57.162 56.400 -0.084 0.000 0.840 571 E CB -0.414 29.272 29.700 -0.022 0.000 0.772 571 E HN 0.518 nan 8.360 nan 0.000 0.491 572 G N 1.880 110.606 108.800 -0.123 0.000 2.440 572 G HA2 -0.385 3.578 3.960 0.005 0.000 0.218 572 G HA3 -0.385 3.578 3.960 0.005 0.000 0.218 572 G C 1.921 176.786 174.900 -0.058 0.000 1.154 572 G CA 2.103 47.136 45.100 -0.110 0.000 0.767 572 G HN 0.462 nan 8.290 nan 0.000 0.552 573 K N 0.881 121.276 120.400 -0.009 0.000 2.009 573 K HA -0.043 4.280 4.320 0.005 0.000 0.210 573 K C 2.318 178.891 176.600 -0.045 0.000 1.049 573 K CA 1.940 58.229 56.287 0.003 0.000 0.929 573 K CB -0.736 nan 32.500 nan 0.000 0.714 573 K HN 0.460 nan 8.250 nan 0.000 0.440 574 K N -0.399 119.953 120.400 -0.082 0.000 1.987 574 K HA -0.122 4.201 4.320 0.005 0.000 0.216 574 K C 2.251 178.774 176.600 -0.128 0.000 1.051 574 K CA 1.485 57.713 56.287 -0.098 0.000 0.942 574 K CB -0.523 31.914 32.500 -0.105 0.000 0.722 574 K HN 0.251 nan 8.250 nan 0.000 0.444 575 L N 1.374 122.465 121.223 -0.220 0.000 1.976 575 L HA -0.260 4.083 4.340 0.005 0.000 0.223 575 L C 2.148 178.947 176.870 -0.118 0.000 1.081 575 L CA 1.744 56.449 54.840 -0.225 0.000 0.784 575 L CB -0.689 41.105 42.059 -0.443 0.000 0.896 575 L HN 0.006 nan 8.230 nan 0.000 0.438 576 V N 0.121 119.990 119.914 -0.075 0.000 2.324 576 V HA -0.353 3.770 4.120 0.005 0.000 0.250 576 V C 2.787 178.843 176.094 -0.063 0.000 1.060 576 V CA 1.882 64.175 62.300 -0.011 0.000 1.042 576 V CB -1.510 30.382 31.823 0.115 0.000 0.650 576 V HN 0.696 nan 8.190 nan 0.000 0.450 577 A N -0.221 122.559 122.820 -0.067 0.000 1.873 577 A HA -0.069 4.254 4.320 0.005 0.000 0.215 577 A C 2.422 179.955 177.584 -0.085 0.000 1.186 577 A CA 2.055 54.042 52.037 -0.084 0.000 0.616 577 A CB -0.768 18.194 19.000 -0.063 0.000 0.823 577 A HN 0.570 nan 8.150 nan 0.000 0.442 578 A N -0.623 122.151 122.820 -0.076 0.000 1.873 578 A HA -0.043 4.280 4.320 0.005 0.000 0.215 578 A C 2.442 179.987 177.584 -0.066 0.000 1.186 578 A CA 1.995 53.992 52.037 -0.067 0.000 0.616 578 A CB -0.923 18.040 19.000 -0.063 0.000 0.823 578 A HN 0.439 nan 8.150 nan 0.000 0.442 579 S N -0.133 115.525 115.700 -0.070 0.000 2.370 579 S HA -0.235 4.238 4.470 0.005 0.000 0.226 579 S C 2.097 176.651 174.600 -0.077 0.000 1.033 579 S CA 1.702 59.862 58.200 -0.067 0.000 1.011 579 S CB -0.372 62.786 63.200 -0.070 0.000 0.852 579 S HN 0.697 nan 8.310 nan 0.000 0.457 580 Q N 0.543 120.283 119.800 -0.101 0.000 2.124 580 Q HA -0.019 4.324 4.340 0.005 0.000 0.202 580 Q C 2.479 178.423 176.000 -0.092 0.000 0.977 580 Q CA 1.298 57.032 55.803 -0.115 0.000 0.850 580 Q CB -0.325 28.294 28.738 -0.198 0.000 0.901 580 Q HN 0.609 nan 8.270 nan 0.000 0.429 581 A N 1.041 123.811 122.820 -0.083 0.000 1.898 581 A HA -0.039 4.284 4.320 0.005 0.000 0.216 581 A C 2.274 179.825 177.584 -0.054 0.000 1.181 581 A CA 1.397 53.395 52.037 -0.066 0.000 0.620 581 A CB -0.631 18.334 19.000 -0.059 0.000 0.819 581 A HN 0.375 nan 8.150 nan 0.000 0.442 582 A N -0.476 122.314 122.820 -0.050 0.000 2.015 582 A HA 0.125 4.447 4.320 0.005 0.000 0.219 582 A C 1.704 179.263 177.584 -0.041 0.000 1.163 582 A CA 1.142 53.155 52.037 -0.041 0.000 0.646 582 A CB -0.422 18.557 19.000 -0.036 0.000 0.806 582 A HN 0.457 nan 8.150 nan 0.000 0.448 583 L N -0.330 120.864 121.223 -0.050 0.000 2.685 583 L HA 0.296 4.639 4.340 0.005 0.000 0.233 583 L C 1.329 178.163 176.870 -0.061 0.000 1.173 583 L CA -0.132 54.677 54.840 -0.052 0.000 0.961 583 L CB -1.052 40.973 42.059 -0.056 0.000 1.217 583 L HN 0.484 nan 8.230 nan 0.000 0.478 584 G N 0.000 108.767 108.800 -0.056 0.000 5.446 584 G HA2 0.000 3.963 3.960 0.005 0.000 0.244 584 G HA3 0.000 3.963 3.960 0.005 0.000 0.244 584 G CA 0.000 45.067 45.100 -0.055 0.000 0.502 584 G HN 0.000 nan 8.290 nan 0.000 0.925