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 2bxk_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 0.000 175.311 175.328 -0.028 0.000 0.993 3 H CA 0.000 55.993 56.048 -0.092 0.000 1.023 3 H CB 0.000 29.723 29.762 -0.064 0.000 1.292 4 K N 1.425 121.821 120.400 -0.006 0.000 2.062 4 K HA 0.147 4.469 4.320 0.003 0.000 0.205 4 K C 0.859 177.476 176.600 0.027 0.000 1.051 4 K CA 1.926 58.220 56.287 0.010 0.000 0.941 4 K CB 0.068 32.573 32.500 0.009 0.000 0.719 4 K HN 0.526 nan 8.250 nan 0.000 0.440 5 S N 0.267 115.987 115.700 0.033 0.000 2.640 5 S HA 0.234 4.706 4.470 0.003 0.000 0.320 5 S C 0.256 174.909 174.600 0.089 0.000 1.097 5 S CA -0.710 57.521 58.200 0.051 0.000 1.092 5 S CB 1.194 64.403 63.200 0.015 0.000 0.988 5 S HN 0.266 nan 8.310 nan 0.000 0.470 6 E N 3.730 123.997 120.200 0.112 0.000 2.072 6 E HA -0.092 4.260 4.350 0.003 0.000 0.191 6 E C 1.729 178.445 176.600 0.193 0.000 0.985 6 E CA 1.861 58.357 56.400 0.159 0.000 0.801 6 E CB -0.401 29.386 29.700 0.145 0.000 0.750 6 E HN 0.595 nan 8.360 nan 0.000 0.452 7 V N 1.012 121.030 119.914 0.173 0.000 2.332 7 V HA -0.271 3.851 4.120 0.003 0.000 0.248 7 V C 2.436 178.600 176.094 0.116 0.000 1.055 7 V CA 1.898 64.318 62.300 0.200 0.000 1.038 7 V CB -1.334 30.597 31.823 0.180 0.000 0.651 7 V HN 0.384 nan 8.190 nan 0.000 0.450 8 A N 0.027 122.867 122.820 0.033 0.000 1.877 8 A HA -0.302 4.020 4.320 0.003 0.000 0.216 8 A C 2.183 179.833 177.584 0.111 0.000 1.186 8 A CA 2.362 54.400 52.037 0.001 0.000 0.620 8 A CB -0.908 18.073 19.000 -0.032 0.000 0.822 8 A HN 0.733 nan 8.150 nan 0.000 0.443 9 H N -0.127 118.976 119.070 0.056 0.000 2.319 9 H HA -0.096 4.462 4.556 0.003 0.000 0.299 9 H C 2.238 177.621 175.328 0.092 0.000 1.092 9 H CA 2.110 58.197 56.048 0.065 0.000 1.302 9 H CB -0.023 29.774 29.762 0.058 0.000 1.373 9 H HN 0.273 nan 8.280 nan 0.000 0.497 10 R N -0.445 120.077 120.500 0.037 0.000 2.081 10 R HA -0.152 4.190 4.340 0.003 0.000 0.235 10 R C 2.424 178.767 176.300 0.071 0.000 1.131 10 R CA 1.373 57.499 56.100 0.043 0.000 0.960 10 R CB -1.328 29.119 30.300 0.245 0.000 0.856 10 R HN 0.403 nan 8.270 nan 0.000 0.436 11 F N 2.185 122.078 119.950 -0.095 0.000 2.134 11 F HA -0.178 4.351 4.527 0.003 0.000 0.299 11 F C 2.109 177.800 175.800 -0.183 0.000 1.097 11 F CA 1.592 59.406 58.000 -0.309 0.000 1.264 11 F CB 0.051 38.693 39.000 -0.596 0.000 1.001 11 F HN -0.090 nan 8.300 nan 0.000 0.479 12 K N -0.097 120.294 120.400 -0.015 0.000 2.025 12 K HA -0.155 4.167 4.320 0.003 0.000 0.207 12 K C 1.817 178.330 176.600 -0.146 0.000 1.049 12 K CA 1.551 57.803 56.287 -0.057 0.000 0.933 12 K CB -0.347 32.157 32.500 0.007 0.000 0.714 12 K HN 0.230 nan 8.250 nan 0.000 0.438 13 D N 0.882 121.163 120.400 -0.198 0.000 2.078 13 D HA -0.144 4.498 4.640 0.003 0.000 0.193 13 D C 1.913 178.135 176.300 -0.131 0.000 0.990 13 D CA 1.047 54.942 54.000 -0.175 0.000 0.827 13 D CB -0.136 40.519 40.800 -0.242 0.000 0.975 13 D HN -0.025 nan 8.370 nan 0.000 0.451 14 L N 0.011 121.159 121.223 -0.125 0.000 2.083 14 L HA 0.065 4.407 4.340 0.003 0.000 0.209 14 L C 1.385 178.162 176.870 -0.155 0.000 1.083 14 L CA 1.400 56.184 54.840 -0.093 0.000 0.752 14 L CB -1.625 40.431 42.059 -0.004 0.000 0.899 14 L HN 0.213 nan 8.230 nan 0.000 0.433 15 G N -0.843 107.766 108.800 -0.318 0.000 2.692 15 G HA2 -0.214 3.748 3.960 0.003 0.000 0.686 15 G HA3 -0.214 3.748 3.960 0.003 0.000 0.686 15 G C 0.571 175.178 174.900 -0.488 0.000 1.243 15 G CA 0.104 44.987 45.100 -0.362 0.000 0.782 15 G HN 0.245 nan 8.290 nan 0.000 0.625 16 E N 0.050 119.930 120.200 -0.535 0.000 2.049 16 E HA -0.212 4.140 4.350 0.003 0.000 0.198 16 E C 2.180 178.761 176.600 -0.032 0.000 1.007 16 E CA 1.866 58.066 56.400 -0.334 0.000 0.809 16 E CB -0.043 29.645 29.700 -0.019 0.000 0.749 16 E HN 0.558 nan 8.360 nan 0.000 0.450 17 E N 0.639 120.828 120.200 -0.019 0.000 2.049 17 E HA -0.199 4.153 4.350 0.003 0.000 0.198 17 E C 1.891 178.518 176.600 0.045 0.000 1.007 17 E CA 1.050 57.470 56.400 0.033 0.000 0.809 17 E CB -0.510 29.204 29.700 0.022 0.000 0.749 17 E HN 0.338 nan 8.360 nan 0.000 0.450 18 N N 0.341 119.050 118.700 0.014 0.000 2.142 18 N HA -0.129 4.613 4.740 0.003 0.000 0.186 18 N C 1.777 177.312 175.510 0.043 0.000 1.023 18 N CA 0.563 53.624 53.050 0.018 0.000 0.852 18 N CB -0.592 37.892 38.487 -0.005 0.000 0.998 18 N HN 0.126 nan 8.380 nan 0.000 0.424 19 F N 2.182 122.071 119.950 -0.102 0.000 2.091 19 F HA -0.195 4.334 4.527 0.004 0.000 0.299 19 F C 2.074 177.896 175.800 0.035 0.000 1.103 19 F CA 1.613 59.583 58.000 -0.050 0.000 1.228 19 F CB 0.016 38.961 39.000 -0.090 0.000 0.984 19 F HN -0.078 nan 8.300 nan 0.000 0.477 20 K N -0.024 120.518 120.400 0.237 0.000 2.148 20 K HA -0.062 4.260 4.320 0.003 0.000 0.204 20 K C 2.269 178.904 176.600 0.059 0.000 1.050 20 K CA 1.067 57.453 56.287 0.165 0.000 0.942 20 K CB -0.452 32.173 32.500 0.208 0.000 0.724 20 K HN 0.355 nan 8.250 nan 0.000 0.446 21 A N 1.108 123.952 122.820 0.041 0.000 1.898 21 A HA -0.085 4.237 4.320 0.003 0.000 0.216 21 A C 2.080 179.648 177.584 -0.027 0.000 1.181 21 A CA 1.108 53.161 52.037 0.027 0.000 0.620 21 A CB -0.552 18.465 19.000 0.029 0.000 0.819 21 A HN 0.136 nan 8.150 nan 0.000 0.442 22 L N -0.491 120.678 121.223 -0.090 0.000 2.093 22 L HA -0.139 4.203 4.340 0.003 0.000 0.208 22 L C 2.502 179.251 176.870 -0.201 0.000 1.085 22 L CA 0.906 55.650 54.840 -0.161 0.000 0.755 22 L CB -0.512 41.423 42.059 -0.207 0.000 0.904 22 L HN 0.237 nan 8.230 nan 0.000 0.435 23 V N -0.026 119.744 119.914 -0.240 0.000 2.343 23 V HA -0.283 3.839 4.120 0.003 0.000 0.247 23 V C 2.390 178.523 176.094 0.065 0.000 1.051 23 V CA 1.610 63.802 62.300 -0.179 0.000 1.036 23 V CB -0.418 31.319 31.823 -0.143 0.000 0.654 23 V HN 0.335 nan 8.190 nan 0.000 0.451 24 L N 0.300 121.582 121.223 0.098 0.000 1.989 24 L HA -0.171 4.171 4.340 0.003 0.000 0.211 24 L C 2.199 179.137 176.870 0.114 0.000 1.071 24 L CA 2.019 56.959 54.840 0.166 0.000 0.749 24 L CB -0.619 41.516 42.059 0.126 0.000 0.890 24 L HN 0.233 nan 8.230 nan 0.000 0.431 25 I N -0.134 120.450 120.570 0.025 0.000 2.208 25 I HA -0.323 3.849 4.170 0.003 0.000 0.245 25 I C 2.622 178.722 176.117 -0.029 0.000 1.097 25 I CA 1.318 62.607 61.300 -0.018 0.000 1.363 25 I CB -0.706 37.255 38.000 -0.066 0.000 1.051 25 I HN 0.415 nan 8.210 nan 0.000 0.413 26 A N 0.476 123.240 122.820 -0.093 0.000 1.933 26 A HA -0.203 4.119 4.320 0.003 0.000 0.218 26 A C 2.069 179.688 177.584 0.059 0.000 1.175 26 A CA 1.626 53.573 52.037 -0.150 0.000 0.628 26 A CB -0.841 17.875 19.000 -0.472 0.000 0.814 26 A HN 0.332 nan 8.150 nan 0.000 0.444 27 F N -0.090 119.988 119.950 0.213 0.000 2.163 27 F HA 0.054 4.583 4.527 0.004 0.000 0.297 27 F C 2.781 178.680 175.800 0.165 0.000 1.094 27 F CA 0.636 58.806 58.000 0.284 0.000 1.290 27 F CB -0.719 38.469 39.000 0.312 0.000 1.017 27 F HN 0.240 nan 8.300 nan 0.000 0.483 28 A N -0.400 122.469 122.820 0.082 0.000 1.978 28 A HA -0.232 4.090 4.320 0.003 0.000 0.220 28 A C 2.087 179.677 177.584 0.009 0.000 1.170 28 A CA 1.640 53.612 52.037 -0.109 0.000 0.636 28 A CB -0.749 18.182 19.000 -0.115 0.000 0.810 28 A HN 0.492 nan 8.150 nan 0.000 0.448 29 Q N -2.223 117.586 119.800 0.015 0.000 2.230 29 Q HA -0.116 4.226 4.340 0.003 0.000 0.202 29 Q C 1.554 177.460 176.000 -0.158 0.000 0.963 29 Q CA 1.379 57.116 55.803 -0.110 0.000 0.866 29 Q CB -0.146 28.469 28.738 -0.205 0.000 0.931 29 Q HN 0.882 nan 8.270 nan 0.000 0.452 30 Y N -0.443 119.871 120.300 0.024 0.000 2.266 30 Y HA 0.012 4.564 4.550 0.004 0.000 0.294 30 Y C 0.682 176.573 175.900 -0.014 0.000 1.127 30 Y CA 0.091 58.196 58.100 0.008 0.000 1.140 30 Y CB 0.509 38.973 38.460 0.006 0.000 1.071 30 Y HN -0.020 nan 8.280 nan 0.000 0.525 31 L N 1.943 123.314 121.223 0.248 0.000 2.466 31 L HA 0.168 4.510 4.340 0.003 0.000 0.248 31 L C 0.848 177.962 176.870 0.407 0.000 1.240 31 L CA 0.308 55.261 54.840 0.189 0.000 1.180 31 L CB 0.052 42.251 42.059 0.233 0.000 1.413 31 L HN 0.279 nan 8.230 nan 0.000 0.406 32 Q N -0.348 119.639 119.800 0.312 0.000 2.437 32 Q HA -0.133 4.210 4.340 0.003 0.000 0.210 32 Q C 1.090 177.243 176.000 0.255 0.000 0.972 32 Q CA 0.897 56.829 55.803 0.215 0.000 0.903 32 Q CB 0.257 29.062 28.738 0.113 0.000 0.967 32 Q HN 0.564 nan 8.270 nan 0.000 0.486 33 Q N -0.795 119.241 119.800 0.393 0.000 2.378 33 Q HA 0.071 4.413 4.340 0.003 0.000 0.216 33 Q C 0.502 176.644 176.000 0.236 0.000 0.892 33 Q CA 0.184 56.115 55.803 0.213 0.000 0.931 33 Q CB 0.436 29.142 28.738 -0.054 0.000 1.086 33 Q HN 0.295 nan 8.270 nan 0.000 0.528 34 C N 4.242 123.770 119.300 0.380 0.000 2.652 34 C HA 0.230 4.692 4.460 0.003 0.000 0.412 34 C C -1.607 173.559 174.990 0.294 0.000 1.294 34 C CA -1.016 58.134 59.018 0.221 0.000 2.127 34 C CB 0.296 28.052 27.740 0.026 0.000 2.691 34 C HN 0.285 nan 8.230 nan 0.000 0.615 35 P HA 0.011 nan 4.420 nan 0.000 0.272 35 P C 0.601 177.896 177.300 -0.009 0.000 1.240 35 P CA -0.045 63.135 63.100 0.132 0.000 0.791 35 P CB 0.418 32.142 31.700 0.040 0.000 0.978 36 F N 1.887 121.594 119.950 -0.406 0.000 2.095 36 F HA -0.227 4.302 4.527 0.003 0.000 0.298 36 F C 1.850 177.461 175.800 -0.315 0.000 1.104 36 F CA 2.048 59.618 58.000 -0.718 0.000 1.232 36 F CB -0.812 37.792 39.000 -0.661 0.000 0.987 36 F HN 0.254 nan 8.300 nan 0.000 0.475 37 E N 0.245 120.262 120.200 -0.305 0.000 2.160 37 E HA -0.196 4.156 4.350 0.003 0.000 0.195 37 E C 1.742 178.143 176.600 -0.331 0.000 0.991 37 E CA 1.564 57.765 56.400 -0.332 0.000 0.810 37 E CB -0.607 29.007 29.700 -0.143 0.000 0.742 37 E HN 0.451 nan 8.360 nan 0.000 0.466 38 D N -0.492 119.728 120.400 -0.299 0.000 2.117 38 D HA -0.113 4.529 4.640 0.003 0.000 0.198 38 D C 1.707 177.750 176.300 -0.428 0.000 0.982 38 D CA 0.982 54.782 54.000 -0.334 0.000 0.828 38 D CB -0.096 40.504 40.800 -0.334 0.000 0.967 38 D HN 0.303 nan 8.370 nan 0.000 0.464 39 H N -0.184 118.692 119.070 -0.323 0.000 2.357 39 H HA -0.003 4.555 4.556 0.003 0.000 0.301 39 H C 2.287 177.408 175.328 -0.345 0.000 1.082 39 H CA 0.707 56.572 56.048 -0.305 0.000 1.342 39 H CB -0.332 29.311 29.762 -0.198 0.000 1.389 39 H HN 0.035 nan 8.280 nan 0.000 0.511 40 V N 1.522 121.201 119.914 -0.392 0.000 2.380 40 V HA -0.273 3.849 4.120 0.003 0.000 0.251 40 V C 2.575 178.541 176.094 -0.214 0.000 1.063 40 V CA 2.138 64.223 62.300 -0.359 0.000 1.055 40 V CB -0.429 31.079 31.823 -0.524 0.000 0.657 40 V HN 0.254 nan 8.190 nan 0.000 0.455 41 K N 0.514 120.776 120.400 -0.231 0.000 2.097 41 K HA -0.073 4.249 4.320 0.003 0.000 0.205 41 K C 1.893 178.391 176.600 -0.170 0.000 1.050 41 K CA 1.538 57.720 56.287 -0.175 0.000 0.938 41 K CB -0.518 31.874 32.500 -0.180 0.000 0.718 41 K HN 0.417 nan 8.250 nan 0.000 0.442 42 L N -0.115 120.955 121.223 -0.255 0.000 2.046 42 L HA -0.156 4.186 4.340 0.003 0.000 0.208 42 L C 2.271 179.054 176.870 -0.145 0.000 1.077 42 L CA 0.923 55.567 54.840 -0.328 0.000 0.747 42 L CB -0.473 41.147 42.059 -0.731 0.000 0.896 42 L HN 0.001 nan 8.230 nan 0.000 0.432 43 V N 0.263 120.140 119.914 -0.062 0.000 2.255 43 V HA -0.302 3.820 4.120 0.003 0.000 0.247 43 V C 2.274 178.435 176.094 0.112 0.000 1.051 43 V CA 1.998 64.356 62.300 0.096 0.000 1.018 43 V CB -0.685 31.193 31.823 0.091 0.000 0.641 43 V HN 0.501 nan 8.190 nan 0.000 0.445 44 N N 0.160 118.886 118.700 0.042 0.000 2.094 44 N HA -0.208 4.534 4.740 0.003 0.000 0.191 44 N C 1.810 177.361 175.510 0.069 0.000 1.023 44 N CA 1.752 54.834 53.050 0.052 0.000 0.857 44 N CB -0.351 38.138 38.487 0.002 0.000 1.013 44 N HN 0.625 nan 8.380 nan 0.000 0.426 45 E N 0.187 120.409 120.200 0.036 0.000 2.077 45 E HA -0.078 4.274 4.350 0.003 0.000 0.193 45 E C 1.993 178.679 176.600 0.143 0.000 0.989 45 E CA 0.786 57.216 56.400 0.049 0.000 0.800 45 E CB 0.044 29.733 29.700 -0.019 0.000 0.746 45 E HN 0.085 nan 8.360 nan 0.000 0.452 46 V N 1.124 121.155 119.914 0.196 0.000 2.358 46 V HA -0.223 3.899 4.120 0.003 0.000 0.246 46 V C 2.284 178.629 176.094 0.418 0.000 1.047 46 V CA 2.026 64.536 62.300 0.350 0.000 1.035 46 V CB -0.625 31.441 31.823 0.405 0.000 0.658 46 V HN 0.324 nan 8.190 nan 0.000 0.452 47 T N -0.346 114.429 114.554 0.369 0.000 2.708 47 T HA -0.197 4.155 4.350 0.003 0.000 0.266 47 T C 2.026 176.755 174.700 0.048 0.000 1.037 47 T CA 1.758 64.040 62.100 0.304 0.000 1.146 47 T CB -0.237 68.815 68.868 0.306 0.000 0.865 47 T HN 0.549 nan 8.240 nan 0.000 0.435 48 E N 0.732 120.976 120.200 0.073 0.000 2.058 48 E HA -0.122 4.230 4.350 0.003 0.000 0.194 48 E C 1.766 178.362 176.600 -0.008 0.000 0.997 48 E CA 1.054 57.459 56.400 0.007 0.000 0.801 48 E CB -0.765 28.959 29.700 0.040 0.000 0.746 48 E HN 0.678 nan 8.360 nan 0.000 0.450 49 F N 1.416 121.342 119.950 -0.039 0.000 2.095 49 F HA -0.144 4.385 4.527 0.003 0.000 0.298 49 F C 2.398 178.136 175.800 -0.105 0.000 1.104 49 F CA 1.459 59.435 58.000 -0.041 0.000 1.232 49 F CB -0.984 38.027 39.000 0.019 0.000 0.987 49 F HN 0.156 nan 8.300 nan 0.000 0.475 50 A N 0.315 122.917 122.820 -0.364 0.000 1.908 50 A HA -0.244 4.078 4.320 0.003 0.000 0.218 50 A C 2.299 179.403 177.584 -0.800 0.000 1.181 50 A CA 2.028 53.687 52.037 -0.630 0.000 0.627 50 A CB -0.781 17.834 19.000 -0.641 0.000 0.818 50 A HN 0.504 nan 8.150 nan 0.000 0.445 51 K N -1.073 118.890 120.400 -0.729 0.000 2.097 51 K HA -0.090 4.232 4.320 0.003 0.000 0.206 51 K C 2.090 178.444 176.600 -0.411 0.000 1.049 51 K CA 1.631 57.537 56.287 -0.634 0.000 0.933 51 K CB -0.342 31.895 32.500 -0.437 0.000 0.717 51 K HN 0.489 nan 8.250 nan 0.000 0.442 52 T N 0.769 115.109 114.554 -0.357 0.000 2.746 52 T HA -0.172 4.180 4.350 0.003 0.000 0.267 52 T C 2.064 176.590 174.700 -0.290 0.000 1.039 52 T CA 1.284 63.228 62.100 -0.261 0.000 1.142 52 T CB -0.362 68.388 68.868 -0.197 0.000 0.866 52 T HN 0.322 nan 8.240 nan 0.000 0.444 53 c N 0.931 119.270 118.600 -0.435 0.000 2.435 53 c HA 0.042 4.614 4.570 0.003 0.000 0.279 53 c C 2.830 176.775 174.090 -0.242 0.000 1.321 53 c CA -0.084 56.037 56.329 -0.347 0.000 1.752 53 c CB -1.189 41.048 42.510 -0.455 0.000 1.959 53 c HN 0.348 nan 8.230 nan 0.000 0.500 54 V N 1.415 121.153 119.914 -0.293 0.000 2.358 54 V HA -0.184 3.938 4.120 0.003 0.000 0.246 54 V C 2.733 178.747 176.094 -0.134 0.000 1.047 54 V CA 2.200 64.383 62.300 -0.196 0.000 1.035 54 V CB -1.151 30.520 31.823 -0.254 0.000 0.658 54 V HN 0.582 nan 8.190 nan 0.000 0.452 55 A N -0.490 122.238 122.820 -0.154 0.000 1.902 55 A HA -0.147 4.175 4.320 0.003 0.000 0.217 55 A C 1.260 178.797 177.584 -0.079 0.000 1.181 55 A CA 1.902 53.877 52.037 -0.103 0.000 0.623 55 A CB -0.159 18.778 19.000 -0.105 0.000 0.818 55 A HN 0.576 nan 8.150 nan 0.000 0.443 56 D N -1.699 118.646 120.400 -0.092 0.000 2.323 56 D HA 0.291 4.933 4.640 0.003 0.000 0.242 56 D C 0.234 176.494 176.300 -0.066 0.000 1.347 56 D CA -0.389 53.573 54.000 -0.063 0.000 0.988 56 D CB 0.495 41.265 40.800 -0.050 0.000 1.314 56 D HN 0.266 nan 8.370 nan 0.000 0.564 57 E N 0.727 120.896 120.200 -0.050 0.000 2.339 57 E HA -0.128 4.224 4.350 0.003 0.000 0.201 57 E C 0.836 177.423 176.600 -0.021 0.000 1.015 57 E CA 0.934 57.311 56.400 -0.038 0.000 0.841 57 E CB 0.222 29.912 29.700 -0.017 0.000 0.754 57 E HN 0.250 nan 8.360 nan 0.000 0.508 58 S N -0.023 115.667 115.700 -0.016 0.000 2.556 58 S HA 0.228 4.700 4.470 0.003 0.000 0.216 58 S C 0.505 175.109 174.600 0.007 0.000 0.970 58 S CA -0.148 58.052 58.200 0.000 0.000 0.912 58 S CB 0.551 63.752 63.200 0.002 0.000 0.790 58 S HN 0.301 nan 8.310 nan 0.000 0.504 59 A N 2.185 125.001 122.820 -0.007 0.000 2.507 59 A HA 0.158 4.480 4.320 0.003 0.000 0.235 59 A C 0.477 178.094 177.584 0.056 0.000 1.070 59 A CA -0.235 51.809 52.037 0.010 0.000 0.768 59 A CB -0.054 18.935 19.000 -0.018 0.000 1.011 59 A HN 0.502 nan 8.150 nan 0.000 0.502 60 E N 1.329 121.575 120.200 0.077 0.000 2.653 60 E HA -0.151 4.201 4.350 0.003 0.000 0.264 60 E C 0.266 176.979 176.600 0.188 0.000 0.949 60 E CA 0.851 57.313 56.400 0.103 0.000 0.953 60 E CB -0.006 29.744 29.700 0.083 0.000 0.925 60 E HN 0.707 nan 8.360 nan 0.000 0.475 61 N N 1.652 120.442 118.700 0.151 0.000 2.895 61 N HA -0.283 4.459 4.740 0.003 0.000 0.237 61 N C 0.847 176.543 175.510 0.310 0.000 0.934 61 N CA 1.379 54.541 53.050 0.188 0.000 0.984 61 N CB -1.991 36.567 38.487 0.118 0.000 1.089 61 N HN 0.531 nan 8.380 nan 0.000 0.604 62 c N 1.558 120.319 118.600 0.268 0.000 2.422 62 c HA -0.099 4.473 4.570 0.003 0.000 0.286 62 c C 2.105 176.272 174.090 0.128 0.000 1.412 62 c CA 0.996 57.426 56.329 0.169 0.000 1.786 62 c CB -0.917 41.591 42.510 -0.003 0.000 1.835 62 c HN 0.551 nan 8.230 nan 0.000 0.533 63 D N 0.563 121.033 120.400 0.116 0.000 2.333 63 D HA -0.041 4.601 4.640 0.003 0.000 0.208 63 D C 0.617 176.979 176.300 0.102 0.000 0.984 63 D CA 0.378 54.431 54.000 0.088 0.000 0.873 63 D CB -0.391 40.448 40.800 0.065 0.000 0.935 63 D HN 0.376 nan 8.370 nan 0.000 0.521 64 K N 1.350 121.826 120.400 0.128 0.000 2.382 64 K HA 0.153 4.475 4.320 0.003 0.000 0.275 64 K C 0.725 177.407 176.600 0.137 0.000 1.009 64 K CA -0.140 56.219 56.287 0.120 0.000 0.970 64 K CB 0.762 33.329 32.500 0.112 0.000 0.934 64 K HN 0.175 nan 8.250 nan 0.000 0.479 65 S N 2.236 118.012 115.700 0.126 0.000 2.576 65 S HA 0.028 4.500 4.470 0.003 0.000 0.272 65 S C 1.420 176.112 174.600 0.153 0.000 1.352 65 S CA -0.536 57.749 58.200 0.142 0.000 1.021 65 S CB 0.419 63.711 63.200 0.152 0.000 0.887 65 S HN 0.550 nan 8.310 nan 0.000 0.542 66 L N 0.560 121.863 121.223 0.133 0.000 2.046 66 L HA -0.117 4.225 4.340 0.003 0.000 0.208 66 L C 2.600 179.496 176.870 0.042 0.000 1.077 66 L CA 1.718 56.603 54.840 0.075 0.000 0.747 66 L CB -0.898 41.151 42.059 -0.017 0.000 0.896 66 L HN 0.800 nan 8.230 nan 0.000 0.432 67 H N -0.731 118.391 119.070 0.088 0.000 2.319 67 H HA -0.155 4.403 4.556 0.003 0.000 0.299 67 H C 2.388 177.796 175.328 0.132 0.000 1.092 67 H CA 2.133 58.246 56.048 0.108 0.000 1.302 67 H CB -0.242 29.574 29.762 0.089 0.000 1.373 67 H HN 0.200 nan 8.280 nan 0.000 0.497 68 T N 0.648 115.336 114.554 0.223 0.000 2.674 68 T HA -0.135 4.217 4.350 0.003 0.000 0.265 68 T C 2.188 176.946 174.700 0.098 0.000 1.039 68 T CA 1.315 63.501 62.100 0.144 0.000 1.150 68 T CB -0.388 68.548 68.868 0.113 0.000 0.864 68 T HN 0.159 nan 8.240 nan 0.000 0.427 69 L N -0.120 121.166 121.223 0.105 0.000 2.012 69 L HA -0.067 4.275 4.340 0.003 0.000 0.210 69 L C 2.307 179.216 176.870 0.065 0.000 1.073 69 L CA 1.397 56.275 54.840 0.064 0.000 0.748 69 L CB -0.629 41.505 42.059 0.124 0.000 0.891 69 L HN 0.174 nan 8.230 nan 0.000 0.431 70 F N 0.963 120.873 119.950 -0.066 0.000 2.126 70 F HA -0.141 4.388 4.527 0.003 0.000 0.299 70 F C 2.215 177.912 175.800 -0.173 0.000 1.096 70 F CA 1.573 59.478 58.000 -0.159 0.000 1.255 70 F CB -0.736 38.079 39.000 -0.310 0.000 0.997 70 F HN -0.021 nan 8.300 nan 0.000 0.479 71 G N -0.431 108.269 108.800 -0.167 0.000 2.408 71 G HA2 -0.229 3.733 3.960 0.003 0.000 0.217 71 G HA3 -0.229 3.733 3.960 0.003 0.000 0.217 71 G C 1.408 176.214 174.900 -0.156 0.000 1.150 71 G CA 0.907 45.876 45.100 -0.219 0.000 0.776 71 G HN 0.317 nan 8.290 nan 0.000 0.542 72 D N 0.577 120.927 120.400 -0.083 0.000 2.104 72 D HA -0.087 4.555 4.640 0.003 0.000 0.194 72 D C 2.351 178.575 176.300 -0.126 0.000 0.994 72 D CA 1.087 55.042 54.000 -0.075 0.000 0.830 72 D CB -0.082 40.678 40.800 -0.066 0.000 0.959 72 D HN 0.177 nan 8.370 nan 0.000 0.452 73 K N 0.469 120.773 120.400 -0.159 0.000 2.057 73 K HA -0.083 4.239 4.320 0.003 0.000 0.207 73 K C 1.970 178.436 176.600 -0.222 0.000 1.049 73 K CA 0.380 56.570 56.287 -0.162 0.000 0.931 73 K CB -0.588 31.873 32.500 -0.064 0.000 0.714 73 K HN -0.020 nan 8.250 nan 0.000 0.440 74 L N 0.366 121.384 121.223 -0.341 0.000 2.042 74 L HA -0.188 4.154 4.340 0.003 0.000 0.210 74 L C 1.671 178.406 176.870 -0.225 0.000 1.076 74 L CA 1.617 56.216 54.840 -0.400 0.000 0.749 74 L CB -0.666 40.888 42.059 -0.841 0.000 0.893 74 L HN 0.262 nan 8.230 nan 0.000 0.432 75 c N -1.277 117.245 118.600 -0.131 0.000 2.539 75 c HA 0.000 4.572 4.570 0.003 0.000 0.271 75 c C 2.415 176.474 174.090 -0.050 0.000 1.412 75 c CA 0.801 57.116 56.329 -0.023 0.000 1.729 75 c CB -1.663 40.868 42.510 0.036 0.000 1.739 75 c HN 0.536 nan 8.230 nan 0.000 0.570 76 T N 0.323 114.819 114.554 -0.097 0.000 2.978 76 T HA -0.003 4.349 4.350 0.003 0.000 0.262 76 T C 0.912 175.559 174.700 -0.088 0.000 1.063 76 T CA 0.539 62.582 62.100 -0.095 0.000 1.140 76 T CB -0.001 68.790 68.868 -0.127 0.000 0.886 76 T HN 0.237 nan 8.240 nan 0.000 0.470 77 V N 2.669 122.522 119.914 -0.101 0.000 2.583 77 V HA 0.011 4.133 4.120 0.003 0.000 0.302 77 V C 1.619 177.695 176.094 -0.031 0.000 1.033 77 V CA 0.202 62.456 62.300 -0.077 0.000 1.194 77 V CB 0.029 31.816 31.823 -0.060 0.000 0.879 77 V HN 0.476 nan 8.190 nan 0.000 0.482 78 A N 5.024 127.823 122.820 -0.035 0.000 1.873 78 A HA -0.108 4.214 4.320 0.003 0.000 0.215 78 A C 2.005 179.589 177.584 0.001 0.000 1.186 78 A CA 1.888 53.913 52.037 -0.021 0.000 0.616 78 A CB -0.520 18.461 19.000 -0.032 0.000 0.823 78 A HN 0.968 nan 8.150 nan 0.000 0.442 79 T N -2.265 112.295 114.554 0.011 0.000 3.324 79 T HA 0.247 4.599 4.350 0.003 0.000 0.250 79 T C 1.242 175.994 174.700 0.087 0.000 1.059 79 T CA 0.372 62.486 62.100 0.024 0.000 0.951 79 T CB -0.126 68.740 68.868 -0.003 0.000 1.030 79 T HN 0.091 nan 8.240 nan 0.000 0.576 80 L N 1.846 123.142 121.223 0.120 0.000 2.013 80 L HA -0.039 4.303 4.340 0.003 0.000 0.212 80 L C 2.703 179.702 176.870 0.214 0.000 1.073 80 L CA 1.879 56.855 54.840 0.225 0.000 0.753 80 L CB -0.574 41.556 42.059 0.118 0.000 0.890 80 L HN 0.357 nan 8.230 nan 0.000 0.432 81 R N -1.177 119.383 120.500 0.100 0.000 2.073 81 R HA -0.118 4.224 4.340 0.003 0.000 0.229 81 R C 2.136 178.455 176.300 0.032 0.000 1.120 81 R CA 1.365 57.502 56.100 0.062 0.000 0.967 81 R CB -0.180 30.138 30.300 0.029 0.000 0.862 81 R HN 0.328 nan 8.270 nan 0.000 0.436 82 E N -0.429 119.778 120.200 0.011 0.000 2.110 82 E HA -0.101 4.251 4.350 0.003 0.000 0.193 82 E C 1.827 178.387 176.600 -0.067 0.000 0.988 82 E CA 1.728 58.114 56.400 -0.023 0.000 0.804 82 E CB -0.292 29.393 29.700 -0.026 0.000 0.745 82 E HN 0.619 nan 8.360 nan 0.000 0.458 83 T N -0.897 113.593 114.554 -0.106 0.000 3.010 83 T HA 0.056 4.408 4.350 0.003 0.000 0.252 83 T C 0.983 175.411 174.700 -0.454 0.000 1.047 83 T CA 0.600 62.508 62.100 -0.320 0.000 1.140 83 T CB -0.118 68.455 68.868 -0.492 0.000 0.885 83 T HN 0.397 nan 8.240 nan 0.000 0.464 84 Y N 0.872 121.177 120.300 0.008 0.000 2.531 84 Y HA 0.442 4.994 4.550 0.003 0.000 0.249 84 Y C 1.940 177.824 175.900 -0.026 0.000 1.168 84 Y CA -0.640 57.465 58.100 0.008 0.000 1.226 84 Y CB -0.300 38.182 38.460 0.038 0.000 1.177 84 Y HN 0.288 nan 8.280 nan 0.000 0.527 85 G N 1.229 110.068 108.800 0.066 0.000 2.684 85 G HA2 -0.545 3.417 3.960 0.003 0.000 0.358 85 G HA3 -0.545 3.417 3.960 0.003 0.000 0.358 85 G C 1.415 176.310 174.900 -0.009 0.000 1.164 85 G CA 1.437 46.548 45.100 0.019 0.000 0.935 85 G HN 0.423 nan 8.290 nan 0.000 0.574 86 E N -0.245 119.919 120.200 -0.060 0.000 2.136 86 E HA -0.239 4.113 4.350 0.003 0.000 0.202 86 E C 2.618 179.057 176.600 -0.268 0.000 1.019 86 E CA 1.860 58.169 56.400 -0.152 0.000 0.819 86 E CB -0.228 29.357 29.700 -0.192 0.000 0.739 86 E HN 0.548 nan 8.360 nan 0.000 0.458 87 M N -0.121 119.298 119.600 -0.302 0.000 2.195 87 M HA -0.223 4.259 4.480 0.003 0.000 0.260 87 M C 2.123 178.387 176.300 -0.061 0.000 1.066 87 M CA 1.636 56.791 55.300 -0.240 0.000 1.089 87 M CB -0.081 32.519 32.600 -0.002 0.000 1.377 87 M HN 0.226 nan 8.290 nan 0.000 0.411 88 A N 0.292 123.112 122.820 0.000 0.000 1.978 88 A HA -0.211 4.111 4.320 0.003 0.000 0.220 88 A C 1.558 179.128 177.584 -0.023 0.000 1.170 88 A CA 2.043 54.095 52.037 0.026 0.000 0.636 88 A CB -0.827 18.196 19.000 0.038 0.000 0.810 88 A HN 0.573 nan 8.150 nan 0.000 0.448 89 D N -0.491 119.875 120.400 -0.056 0.000 2.263 89 D HA -0.110 4.532 4.640 0.003 0.000 0.208 89 D C 1.840 178.086 176.300 -0.090 0.000 0.971 89 D CA 1.084 55.050 54.000 -0.056 0.000 0.867 89 D CB -0.546 40.227 40.800 -0.044 0.000 0.929 89 D HN 0.480 nan 8.370 nan 0.000 0.492 90 c N 0.412 118.910 118.600 -0.170 0.000 2.411 90 c HA -0.145 4.427 4.570 0.003 0.000 0.279 90 c C 2.861 176.790 174.090 -0.268 0.000 1.288 90 c CA 0.099 56.226 56.329 -0.337 0.000 1.764 90 c CB -1.032 40.977 42.510 -0.834 0.000 1.974 90 c HN 0.450 nan 8.230 nan 0.000 0.498 91 c N 0.886 119.412 118.600 -0.123 0.000 2.430 91 c HA 0.033 4.605 4.570 0.003 0.000 0.288 91 c C 2.764 176.846 174.090 -0.013 0.000 1.448 91 c CA 1.009 57.336 56.329 -0.003 0.000 1.784 91 c CB -1.726 40.814 42.510 0.051 0.000 1.776 91 c HN 0.727 nan 8.230 nan 0.000 0.547 92 A N -0.397 122.402 122.820 -0.035 0.000 2.132 92 A HA 0.081 4.403 4.320 0.003 0.000 0.213 92 A C 1.038 178.609 177.584 -0.023 0.000 1.154 92 A CA 0.636 52.660 52.037 -0.022 0.000 0.753 92 A CB -0.017 18.970 19.000 -0.021 0.000 0.826 92 A HN 0.482 nan 8.150 nan 0.000 0.469 93 K N 0.652 121.027 120.400 -0.041 0.000 2.107 93 K HA 0.350 4.672 4.320 0.003 0.000 0.251 93 K C 0.243 176.837 176.600 -0.011 0.000 1.012 93 K CA -0.106 56.161 56.287 -0.032 0.000 0.920 93 K CB 0.655 33.121 32.500 -0.057 0.000 1.033 93 K HN 0.409 nan 8.250 nan 0.000 0.478 94 Q N -0.227 119.573 119.800 0.000 0.000 2.241 94 Q HA 0.325 4.667 4.340 0.003 0.000 0.262 94 Q C -0.380 175.636 176.000 0.026 0.000 1.014 94 Q CA -0.942 54.870 55.803 0.017 0.000 0.885 94 Q CB 1.126 29.873 28.738 0.015 0.000 1.311 94 Q HN 0.540 nan 8.270 nan 0.000 0.461 95 E N 1.841 122.066 120.200 0.043 0.000 2.392 95 E HA 0.221 4.573 4.350 0.003 0.000 0.264 95 E C -1.480 175.137 176.600 0.028 0.000 1.024 95 E CA -1.721 54.709 56.400 0.051 0.000 0.903 95 E CB 1.058 30.801 29.700 0.071 0.000 0.963 95 E HN 0.650 nan 8.360 nan 0.000 0.432 96 P HA 0.061 nan 4.420 nan 0.000 0.255 96 P C 0.028 177.344 177.300 0.026 0.000 1.248 96 P CA 0.243 63.349 63.100 0.012 0.000 0.807 96 P CB 0.639 32.327 31.700 -0.021 0.000 1.150 97 E N 0.816 121.026 120.200 0.017 0.000 2.118 97 E HA -0.165 4.187 4.350 0.003 0.000 0.195 97 E C 2.233 178.829 176.600 -0.006 0.000 0.992 97 E CA 1.037 57.441 56.400 0.007 0.000 0.804 97 E CB -0.619 29.079 29.700 -0.005 0.000 0.741 97 E HN 0.205 nan 8.360 nan 0.000 0.458 98 R N 0.471 120.971 120.500 0.001 0.000 2.094 98 R HA -0.225 4.117 4.340 0.003 0.000 0.239 98 R C 2.124 178.459 176.300 0.058 0.000 1.137 98 R CA 1.960 58.038 56.100 -0.037 0.000 0.943 98 R CB -0.312 30.028 30.300 0.067 0.000 0.850 98 R HN 0.147 nan 8.270 nan 0.000 0.433 99 N N 0.129 118.961 118.700 0.220 0.000 2.120 99 N HA -0.210 4.532 4.740 0.003 0.000 0.188 99 N C 1.624 177.283 175.510 0.248 0.000 1.024 99 N CA 1.702 54.965 53.050 0.354 0.000 0.852 99 N CB -0.093 38.561 38.487 0.278 0.000 1.003 99 N HN 0.219 nan 8.380 nan 0.000 0.424 100 E N 0.002 120.273 120.200 0.118 0.000 2.077 100 E HA -0.132 4.220 4.350 0.003 0.000 0.193 100 E C 2.094 178.725 176.600 0.052 0.000 0.989 100 E CA 0.959 57.410 56.400 0.085 0.000 0.800 100 E CB -0.983 28.760 29.700 0.072 0.000 0.746 100 E HN 0.467 nan 8.360 nan 0.000 0.452 101 c N -0.333 118.258 118.600 -0.016 0.000 2.413 101 c HA -0.143 4.429 4.570 0.003 0.000 0.276 101 c C 2.422 176.487 174.090 -0.041 0.000 1.248 101 c CA 0.890 57.162 56.329 -0.094 0.000 1.742 101 c CB -1.535 40.868 42.510 -0.180 0.000 2.017 101 c HN 0.470 nan 8.230 nan 0.000 0.481 102 F N 0.561 120.611 119.950 0.166 0.000 2.134 102 F HA -0.045 4.484 4.527 0.003 0.000 0.299 102 F C 2.192 178.130 175.800 0.231 0.000 1.097 102 F CA 1.157 59.310 58.000 0.255 0.000 1.264 102 F CB -1.026 38.134 39.000 0.268 0.000 1.001 102 F HN 0.093 nan 8.300 nan 0.000 0.479 103 L N 0.178 121.609 121.223 0.347 0.000 2.043 103 L HA -0.250 4.092 4.340 0.003 0.000 0.212 103 L C 2.282 179.205 176.870 0.088 0.000 1.075 103 L CA 1.799 56.744 54.840 0.175 0.000 0.752 103 L CB -1.637 40.450 42.059 0.047 0.000 0.891 103 L HN 0.323 nan 8.230 nan 0.000 0.432 104 Q N -1.516 118.269 119.800 -0.026 0.000 2.291 104 Q HA -0.159 4.183 4.340 0.003 0.000 0.205 104 Q C 1.354 177.217 176.000 -0.227 0.000 0.970 104 Q CA 0.913 56.616 55.803 -0.167 0.000 0.876 104 Q CB -0.076 28.460 28.738 -0.337 0.000 0.935 104 Q HN 0.637 nan 8.270 nan 0.000 0.455 105 H N -0.024 119.129 119.070 0.139 0.000 2.586 105 H HA 0.190 4.748 4.556 0.004 0.000 0.273 105 H C 0.076 175.474 175.328 0.118 0.000 0.997 105 H CA 0.050 56.178 56.048 0.132 0.000 1.177 105 H CB 0.299 30.151 29.762 0.149 0.000 1.471 105 H HN 0.062 nan 8.280 nan 0.000 0.538 106 K N 2.367 122.852 120.400 0.143 0.000 2.378 106 K HA -0.012 4.310 4.320 0.003 0.000 0.288 106 K C -0.684 175.945 176.600 0.048 0.000 1.057 106 K CA -0.220 56.065 56.287 -0.004 0.000 0.971 106 K CB 0.358 32.705 32.500 -0.255 0.000 0.975 106 K HN -0.035 nan 8.250 nan 0.000 0.475 107 D N 3.729 124.160 120.400 0.052 0.000 2.339 107 D HA 0.102 4.744 4.640 0.003 0.000 0.241 107 D C 0.996 177.338 176.300 0.069 0.000 1.183 107 D CA 0.250 54.300 54.000 0.083 0.000 0.859 107 D CB 1.134 41.983 40.800 0.083 0.000 1.067 107 D HN 0.660 nan 8.370 nan 0.000 0.484 108 D N 3.331 123.838 120.400 0.177 0.000 2.311 108 D HA -0.188 4.454 4.640 0.003 0.000 0.212 108 D C 0.653 177.007 176.300 0.091 0.000 0.972 108 D CA 0.770 54.914 54.000 0.240 0.000 0.887 108 D CB -0.304 40.670 40.800 0.290 0.000 0.915 108 D HN 0.434 nan 8.370 nan 0.000 0.497 109 N N -0.400 118.327 118.700 0.045 0.000 2.751 109 N HA 0.239 4.981 4.740 0.003 0.000 0.238 109 N C -2.916 172.592 175.510 -0.005 0.000 1.351 109 N CA -1.144 51.904 53.050 -0.003 0.000 0.751 109 N CB 2.004 40.494 38.487 0.005 0.000 1.342 109 N HN 0.069 nan 8.380 nan 0.000 0.540 110 P HA 0.183 nan 4.420 nan 0.000 0.274 110 P C -0.785 176.505 177.300 -0.018 0.000 1.260 110 P CA -0.243 62.853 63.100 -0.007 0.000 0.793 110 P CB 0.818 32.511 31.700 -0.012 0.000 1.048 111 N N 0.664 119.359 118.700 -0.010 0.000 3.301 111 N HA 0.259 5.001 4.740 0.003 0.000 0.289 111 N C -0.292 175.206 175.510 -0.020 0.000 1.343 111 N CA -0.026 53.017 53.050 -0.013 0.000 1.136 111 N CB -0.203 38.280 38.487 -0.006 0.000 1.402 111 N HN 0.322 nan 8.380 nan 0.000 0.516 112 L N 1.041 122.245 121.223 -0.032 0.000 2.334 112 L HA 0.512 4.854 4.340 0.003 0.000 0.275 112 L C -1.695 175.155 176.870 -0.033 0.000 1.036 112 L CA -1.766 53.051 54.840 -0.038 0.000 0.807 112 L CB 0.659 42.680 42.059 -0.063 0.000 1.231 112 L HN 0.022 nan 8.230 nan 0.000 0.438 113 P HA 0.130 nan 4.420 nan 0.000 0.269 113 P C -1.080 176.207 177.300 -0.022 0.000 1.215 113 P CA -0.549 62.539 63.100 -0.020 0.000 0.780 113 P CB 0.362 32.051 31.700 -0.017 0.000 0.898 114 R N 1.323 121.818 120.500 -0.009 0.000 2.643 114 R HA 0.297 4.640 4.340 0.003 0.000 0.270 114 R C -0.573 175.728 176.300 0.003 0.000 1.061 114 R CA -0.641 55.459 56.100 0.000 0.000 1.107 114 R CB -0.137 30.170 30.300 0.012 0.000 0.999 114 R HN 0.184 nan 8.270 nan 0.000 0.460 115 L N 3.750 124.980 121.223 0.011 0.000 2.315 115 L HA 0.141 4.483 4.340 0.003 0.000 0.283 115 L C -0.340 176.563 176.870 0.055 0.000 1.089 115 L CA -0.149 54.705 54.840 0.023 0.000 0.833 115 L CB 1.453 43.532 42.059 0.034 0.000 1.170 115 L HN 0.633 nan 8.230 nan 0.000 0.442 116 V N 3.276 123.225 119.914 0.059 0.000 2.407 116 V HA 0.518 4.640 4.120 0.003 0.000 0.278 116 V C 0.356 176.513 176.094 0.104 0.000 1.037 116 V CA -0.989 61.352 62.300 0.070 0.000 0.900 116 V CB 1.093 32.948 31.823 0.053 0.000 0.983 116 V HN 0.804 nan 8.190 nan 0.000 0.459 117 R N 5.256 125.814 120.500 0.098 0.000 2.351 117 R HA 0.370 4.712 4.340 0.003 0.000 0.318 117 R C -2.158 174.207 176.300 0.109 0.000 1.055 117 R CA -1.014 55.152 56.100 0.110 0.000 0.968 117 R CB 0.343 30.698 30.300 0.091 0.000 0.974 117 R HN 0.716 nan 8.270 nan 0.000 0.439 118 P HA 0.005 nan 4.420 nan 0.000 0.275 118 P C -0.940 176.427 177.300 0.111 0.000 1.270 118 P CA -0.481 62.696 63.100 0.128 0.000 0.791 118 P CB 0.473 32.274 31.700 0.169 0.000 1.089 119 E N -0.470 119.787 120.200 0.094 0.000 2.360 119 E HA 0.030 4.382 4.350 0.003 0.000 0.269 119 E C 1.043 177.697 176.600 0.090 0.000 1.022 119 E CA -0.355 56.091 56.400 0.076 0.000 0.887 119 E CB 0.601 30.337 29.700 0.059 0.000 0.990 119 E HN 0.051 nan 8.360 nan 0.000 0.426 120 V N 4.652 124.612 119.914 0.076 0.000 2.277 120 V HA -0.364 3.758 4.120 0.003 0.000 0.255 120 V C 1.464 177.609 176.094 0.085 0.000 1.074 120 V CA 2.320 64.668 62.300 0.082 0.000 1.058 120 V CB -0.443 31.404 31.823 0.040 0.000 0.656 120 V HN 0.760 nan 8.190 nan 0.000 0.449 121 D N -0.189 120.246 120.400 0.059 0.000 2.144 121 D HA -0.122 4.520 4.640 0.003 0.000 0.199 121 D C 2.166 178.498 176.300 0.054 0.000 0.984 121 D CA 1.749 55.777 54.000 0.046 0.000 0.834 121 D CB -0.438 40.380 40.800 0.029 0.000 0.955 121 D HN 0.543 nan 8.370 nan 0.000 0.465 122 V N -1.162 118.793 119.914 0.069 0.000 2.358 122 V HA -0.225 3.897 4.120 0.003 0.000 0.246 122 V C 2.305 178.455 176.094 0.093 0.000 1.047 122 V CA 1.178 63.525 62.300 0.079 0.000 1.035 122 V CB -0.750 31.128 31.823 0.092 0.000 0.658 122 V HN 0.050 nan 8.190 nan 0.000 0.452 123 M N -0.043 119.635 119.600 0.130 0.000 2.065 123 M HA -0.173 4.309 4.480 0.003 0.000 0.259 123 M C 2.529 178.767 176.300 -0.104 0.000 1.071 123 M CA 2.521 57.896 55.300 0.124 0.000 1.109 123 M CB -0.937 31.855 32.600 0.320 0.000 1.313 123 M HN 0.514 nan 8.290 nan 0.000 0.408 124 c N 0.261 118.894 118.600 0.056 0.000 2.413 124 c HA -0.149 4.423 4.570 0.003 0.000 0.276 124 c C 2.950 177.076 174.090 0.059 0.000 1.248 124 c CA 1.491 57.870 56.329 0.084 0.000 1.742 124 c CB -1.118 41.461 42.510 0.115 0.000 2.017 124 c HN 0.592 nan 8.230 nan 0.000 0.481 125 T N 0.820 115.388 114.554 0.022 0.000 2.777 125 T HA -0.096 4.256 4.350 0.003 0.000 0.266 125 T C 2.094 176.797 174.700 0.006 0.000 1.040 125 T CA 1.582 63.691 62.100 0.015 0.000 1.141 125 T CB -0.381 68.492 68.868 0.007 0.000 0.868 125 T HN 0.643 nan 8.240 nan 0.000 0.444 126 A N 1.053 123.846 122.820 -0.046 0.000 1.902 126 A HA -0.029 4.293 4.320 0.003 0.000 0.217 126 A C 1.998 179.435 177.584 -0.246 0.000 1.181 126 A CA 1.324 53.329 52.037 -0.054 0.000 0.623 126 A CB -0.956 18.100 19.000 0.093 0.000 0.818 126 A HN 0.494 nan 8.150 nan 0.000 0.443 127 F N 0.366 119.851 119.950 -0.775 0.000 2.095 127 F HA -0.231 4.299 4.527 0.004 0.000 0.298 127 F C 2.364 177.986 175.800 -0.296 0.000 1.104 127 F CA 2.310 59.788 58.000 -0.871 0.000 1.232 127 F CB -0.446 37.956 39.000 -0.997 0.000 0.987 127 F HN 0.534 nan 8.300 nan 0.000 0.475 128 H N -0.288 118.598 119.070 -0.305 0.000 2.389 128 H HA -0.105 4.453 4.556 0.003 0.000 0.299 128 H C 1.383 176.576 175.328 -0.226 0.000 1.081 128 H CA 1.856 57.738 56.048 -0.277 0.000 1.345 128 H CB -0.419 29.295 29.762 -0.080 0.000 1.393 128 H HN 0.230 nan 8.280 nan 0.000 0.520 129 D N 0.296 120.688 120.400 -0.013 0.000 2.312 129 D HA -0.065 4.577 4.640 0.003 0.000 0.211 129 D C 0.224 176.462 176.300 -0.103 0.000 0.964 129 D CA 0.754 54.742 54.000 -0.020 0.000 0.877 129 D CB 0.107 40.941 40.800 0.057 0.000 0.924 129 D HN 0.260 nan 8.370 nan 0.000 0.515 130 N N 0.016 118.629 118.700 -0.145 0.000 3.211 130 N HA -0.076 4.666 4.740 0.003 0.000 0.183 130 N C 0.358 175.810 175.510 -0.096 0.000 1.447 130 N CA -0.021 52.971 53.050 -0.095 0.000 0.840 130 N CB 0.285 38.772 38.487 -0.001 0.000 1.611 130 N HN -0.090 nan 8.380 nan 0.000 0.610 131 E N 0.586 120.634 120.200 -0.254 0.000 2.114 131 E HA -0.228 4.124 4.350 0.003 0.000 0.199 131 E C 0.973 177.584 176.600 0.017 0.000 1.008 131 E CA 1.392 57.628 56.400 -0.273 0.000 0.810 131 E CB 0.372 29.809 29.700 -0.439 0.000 0.739 131 E HN 0.429 nan 8.360 nan 0.000 0.456 132 E N -0.355 119.856 120.200 0.018 0.000 2.007 132 E HA -0.177 4.175 4.350 0.003 0.000 0.194 132 E C 2.360 179.045 176.600 0.141 0.000 0.999 132 E CA 1.996 58.445 56.400 0.082 0.000 0.811 132 E CB -0.556 29.180 29.700 0.060 0.000 0.762 132 E HN 0.493 nan 8.360 nan 0.000 0.450 133 T N -0.884 113.756 114.554 0.145 0.000 2.881 133 T HA -0.162 4.190 4.350 0.003 0.000 0.270 133 T C 1.923 176.693 174.700 0.116 0.000 1.068 133 T CA 1.083 63.292 62.100 0.181 0.000 1.131 133 T CB -0.511 68.464 68.868 0.178 0.000 0.871 133 T HN 0.108 nan 8.240 nan 0.000 0.479 134 F N 1.738 121.696 119.950 0.012 0.000 2.113 134 F HA 0.174 4.703 4.527 0.003 0.000 0.297 134 F C 2.004 177.845 175.800 0.069 0.000 1.103 134 F CA 1.100 59.116 58.000 0.027 0.000 1.248 134 F CB -0.306 38.694 39.000 0.002 0.000 0.999 134 F HN 0.093 nan 8.300 nan 0.000 0.475 135 L N -0.085 121.248 121.223 0.183 0.000 2.072 135 L HA -0.170 4.172 4.340 0.003 0.000 0.205 135 L C 2.419 179.318 176.870 0.049 0.000 1.079 135 L CA 0.964 55.859 54.840 0.092 0.000 0.752 135 L CB -0.679 41.497 42.059 0.195 0.000 0.906 135 L HN -0.003 nan 8.230 nan 0.000 0.436 136 K N 0.389 120.851 120.400 0.104 0.000 2.155 136 K HA -0.155 4.167 4.320 0.003 0.000 0.203 136 K C 1.977 178.627 176.600 0.082 0.000 1.052 136 K CA 0.925 57.317 56.287 0.176 0.000 0.948 136 K CB -0.204 32.487 32.500 0.318 0.000 0.728 136 K HN 0.062 nan 8.250 nan 0.000 0.448 137 K N 0.491 120.720 120.400 -0.285 0.000 2.057 137 K HA -0.134 4.188 4.320 0.003 0.000 0.207 137 K C 1.818 178.165 176.600 -0.422 0.000 1.049 137 K CA 1.517 57.296 56.287 -0.847 0.000 0.931 137 K CB -0.379 31.608 32.500 -0.855 0.000 0.714 137 K HN 0.104 nan 8.250 nan 0.000 0.440 138 Y N 0.064 120.147 120.300 -0.362 0.000 2.475 138 Y HA 0.101 4.653 4.550 0.003 0.000 0.289 138 Y C 1.922 177.694 175.900 -0.214 0.000 1.121 138 Y CA 0.558 58.467 58.100 -0.318 0.000 1.257 138 Y CB 0.032 38.211 38.460 -0.468 0.000 1.026 138 Y HN -0.004 nan 8.280 nan 0.000 0.555 139 L N -0.873 120.351 121.223 0.001 0.000 2.046 139 L HA -0.286 4.056 4.340 0.003 0.000 0.208 139 L C 2.403 179.284 176.870 0.018 0.000 1.077 139 L CA 1.726 56.565 54.840 -0.002 0.000 0.747 139 L CB -0.433 41.656 42.059 0.050 0.000 0.896 139 L HN 0.361 nan 8.230 nan 0.000 0.432 140 Y N 0.857 121.126 120.300 -0.051 0.000 2.114 140 Y HA -0.269 4.284 4.550 0.004 0.000 0.284 140 Y C 2.514 178.360 175.900 -0.089 0.000 1.143 140 Y CA 1.701 59.780 58.100 -0.036 0.000 1.135 140 Y CB -0.228 38.305 38.460 0.121 0.000 0.980 140 Y HN 0.140 nan 8.280 nan 0.000 0.499 141 E N 0.447 120.425 120.200 -0.370 0.000 2.077 141 E HA -0.174 4.178 4.350 0.003 0.000 0.193 141 E C 2.261 178.697 176.600 -0.274 0.000 0.989 141 E CA 1.384 57.507 56.400 -0.463 0.000 0.800 141 E CB -0.243 29.235 29.700 -0.369 0.000 0.746 141 E HN 0.519 nan 8.360 nan 0.000 0.452 142 I N 0.935 121.404 120.570 -0.168 0.000 2.193 142 I HA -0.144 4.028 4.170 0.003 0.000 0.240 142 I C 2.468 178.560 176.117 -0.042 0.000 1.084 142 I CA 0.967 62.217 61.300 -0.084 0.000 1.365 142 I CB -1.643 36.255 38.000 -0.171 0.000 1.064 142 I HN -0.066 nan 8.210 nan 0.000 0.410 143 A N 2.238 124.987 122.820 -0.120 0.000 1.883 143 A HA -0.237 4.085 4.320 0.003 0.000 0.217 143 A C 2.434 179.962 177.584 -0.093 0.000 1.186 143 A CA 2.168 54.149 52.037 -0.094 0.000 0.624 143 A CB -0.798 18.147 19.000 -0.092 0.000 0.822 143 A HN 0.541 nan 8.150 nan 0.000 0.444 144 R N -0.634 119.752 120.500 -0.190 0.000 2.159 144 R HA -0.096 4.246 4.340 0.003 0.000 0.237 144 R C 1.866 178.077 176.300 -0.148 0.000 1.131 144 R CA 1.617 57.605 56.100 -0.188 0.000 0.982 144 R CB -0.400 29.707 30.300 -0.322 0.000 0.868 144 R HN 0.473 nan 8.270 nan 0.000 0.453 145 R N -0.231 120.183 120.500 -0.144 0.000 2.246 145 R HA 0.053 4.395 4.340 0.003 0.000 0.199 145 R C -0.054 176.003 176.300 -0.406 0.000 0.984 145 R CA 0.619 56.584 56.100 -0.226 0.000 1.015 145 R CB 0.226 30.403 30.300 -0.206 0.000 0.930 145 R HN 0.412 nan 8.270 nan 0.000 0.475 146 H N -1.056 118.001 119.070 -0.021 0.000 2.380 146 H HA 0.200 4.757 4.556 0.003 0.000 0.231 146 H C -2.105 173.245 175.328 0.036 0.000 1.415 146 H CA -1.785 54.308 56.048 0.075 0.000 1.433 146 H CB 1.210 31.087 29.762 0.192 0.000 1.544 146 H HN -0.058 nan 8.280 nan 0.000 0.503 147 P HA -0.214 nan 4.420 nan 0.000 0.218 147 P C 0.351 177.425 177.300 -0.376 0.000 1.146 147 P CA 1.525 64.457 63.100 -0.279 0.000 0.813 147 P CB 0.086 31.511 31.700 -0.458 0.000 0.778 148 Y N -3.739 116.613 120.300 0.086 0.000 2.458 148 Y HA 0.239 4.791 4.550 0.004 0.000 0.256 148 Y C 0.926 176.932 175.900 0.177 0.000 1.159 148 Y CA -0.711 57.442 58.100 0.088 0.000 1.261 148 Y CB -0.404 38.088 38.460 0.053 0.000 1.119 148 Y HN -0.160 nan 8.280 nan 0.000 0.524 149 F N 1.525 121.583 119.950 0.180 0.000 2.557 149 F HA -0.040 4.489 4.527 0.004 0.000 0.384 149 F C 0.468 176.366 175.800 0.164 0.000 1.057 149 F CA -0.962 57.140 58.000 0.169 0.000 1.169 149 F CB 0.084 39.150 39.000 0.110 0.000 1.070 149 F HN 0.046 nan 8.300 nan 0.000 0.554 150 Y N 6.886 127.377 120.300 0.318 0.000 2.852 150 Y HA 0.037 4.589 4.550 0.004 0.000 0.343 150 Y C 1.049 177.126 175.900 0.296 0.000 1.280 150 Y CA -0.013 58.226 58.100 0.232 0.000 1.604 150 Y CB 0.345 38.890 38.460 0.141 0.000 1.216 150 Y HN 0.782 nan 8.280 nan 0.000 0.541 151 A N 7.627 130.289 122.820 -0.263 0.000 1.881 151 A HA -0.224 4.098 4.320 0.003 0.000 0.219 151 A C -0.272 177.158 177.584 -0.256 0.000 1.215 151 A CA 2.121 54.007 52.037 -0.252 0.000 0.648 151 A CB -1.925 16.902 19.000 -0.288 0.000 0.832 151 A HN 0.726 nan 8.150 nan 0.000 0.455 152 P HA -0.178 nan 4.420 nan 0.000 0.216 152 P C 1.455 178.759 177.300 0.006 0.000 1.150 152 P CA 1.552 64.524 63.100 -0.213 0.000 0.843 152 P CB -0.067 31.496 31.700 -0.229 0.000 0.787 153 E N -0.850 119.440 120.200 0.151 0.000 2.106 153 E HA -0.173 4.179 4.350 0.003 0.000 0.192 153 E C 1.786 178.660 176.600 0.457 0.000 0.984 153 E CA 0.731 57.336 56.400 0.340 0.000 0.806 153 E CB -0.447 29.621 29.700 0.614 0.000 0.750 153 E HN 0.058 nan 8.360 nan 0.000 0.458 154 L N 1.020 122.415 121.223 0.286 0.000 2.093 154 L HA -0.146 4.196 4.340 0.003 0.000 0.208 154 L C 2.216 179.153 176.870 0.112 0.000 1.085 154 L CA 1.204 56.062 54.840 0.030 0.000 0.755 154 L CB -0.692 41.224 42.059 -0.238 0.000 0.904 154 L HN 0.175 nan 8.230 nan 0.000 0.435 155 L N -1.055 120.214 121.223 0.077 0.000 2.046 155 L HA -0.217 4.125 4.340 0.003 0.000 0.208 155 L C 2.347 179.279 176.870 0.104 0.000 1.077 155 L CA 1.831 56.711 54.840 0.066 0.000 0.747 155 L CB -1.096 40.979 42.059 0.028 0.000 0.896 155 L HN 0.399 nan 8.230 nan 0.000 0.432 156 F N -0.990 118.926 119.950 -0.056 0.000 2.171 156 F HA -0.251 4.278 4.527 0.003 0.000 0.300 156 F C 1.978 177.689 175.800 -0.148 0.000 1.090 156 F CA 1.440 59.341 58.000 -0.164 0.000 1.293 156 F CB -0.413 38.345 39.000 -0.403 0.000 1.013 156 F HN 0.084 nan 8.300 nan 0.000 0.486 157 F N 0.401 120.361 119.950 0.017 0.000 2.186 157 F HA -0.034 4.495 4.527 0.003 0.000 0.299 157 F C 2.586 178.441 175.800 0.091 0.000 1.090 157 F CA 1.219 59.216 58.000 -0.005 0.000 1.307 157 F CB -1.293 37.785 39.000 0.130 0.000 1.019 157 F HN 0.061 nan 8.300 nan 0.000 0.489 158 A N 0.259 123.229 122.820 0.249 0.000 1.892 158 A HA -0.261 4.061 4.320 0.003 0.000 0.218 158 A C 2.227 179.914 177.584 0.173 0.000 1.188 158 A CA 2.040 54.207 52.037 0.217 0.000 0.631 158 A CB -0.717 18.350 19.000 0.112 0.000 0.822 158 A HN 0.353 nan 8.150 nan 0.000 0.447 159 K N -0.779 119.638 120.400 0.029 0.000 2.097 159 K HA -0.127 4.195 4.320 0.003 0.000 0.206 159 K C 2.243 178.796 176.600 -0.077 0.000 1.049 159 K CA 1.475 57.750 56.287 -0.019 0.000 0.933 159 K CB -0.186 32.270 32.500 -0.074 0.000 0.717 159 K HN 0.401 nan 8.250 nan 0.000 0.442 160 R N -0.451 119.916 120.500 -0.222 0.000 2.115 160 R HA -0.105 4.237 4.340 0.003 0.000 0.230 160 R C 1.973 178.181 176.300 -0.153 0.000 1.111 160 R CA 1.279 57.218 56.100 -0.269 0.000 0.976 160 R CB -0.191 29.848 30.300 -0.436 0.000 0.870 160 R HN 0.267 nan 8.270 nan 0.000 0.445 161 Y N 0.818 121.116 120.300 -0.004 0.000 2.184 161 Y HA -0.197 4.355 4.550 0.003 0.000 0.290 161 Y C 2.533 178.539 175.900 0.177 0.000 1.129 161 Y CA 1.457 59.610 58.100 0.089 0.000 1.144 161 Y CB -0.017 38.532 38.460 0.149 0.000 0.995 161 Y HN -0.057 nan 8.280 nan 0.000 0.513 162 K N 0.417 121.012 120.400 0.325 0.000 2.032 162 K HA -0.241 4.081 4.320 0.003 0.000 0.209 162 K C 2.223 178.929 176.600 0.177 0.000 1.048 162 K CA 1.371 57.845 56.287 0.311 0.000 0.927 162 K CB -0.360 32.297 32.500 0.262 0.000 0.712 162 K HN 0.275 nan 8.250 nan 0.000 0.441 163 A N 0.853 123.717 122.820 0.073 0.000 1.978 163 A HA -0.115 4.207 4.320 0.003 0.000 0.220 163 A C 2.272 179.817 177.584 -0.065 0.000 1.170 163 A CA 1.889 53.929 52.037 0.005 0.000 0.636 163 A CB -0.687 18.289 19.000 -0.040 0.000 0.810 163 A HN 0.524 nan 8.150 nan 0.000 0.448 164 A N -1.433 121.304 122.820 -0.138 0.000 1.929 164 A HA 0.128 4.450 4.320 0.003 0.000 0.216 164 A C 1.897 179.229 177.584 -0.421 0.000 1.176 164 A CA 1.269 53.131 52.037 -0.292 0.000 0.628 164 A CB -0.585 18.169 19.000 -0.410 0.000 0.816 164 A HN 0.442 nan 8.150 nan 0.000 0.444 165 F N 0.309 120.061 119.950 -0.329 0.000 2.128 165 F HA -0.072 4.457 4.527 0.003 0.000 0.295 165 F C 2.761 178.266 175.800 -0.493 0.000 1.100 165 F CA 1.778 59.383 58.000 -0.658 0.000 1.260 165 F CB -0.971 37.120 39.000 -1.515 0.000 1.009 165 F HN 0.098 nan 8.300 nan 0.000 0.476 166 T N -0.506 113.994 114.554 -0.090 0.000 2.665 166 T HA -0.284 4.068 4.350 0.003 0.000 0.268 166 T C 1.903 176.645 174.700 0.070 0.000 1.035 166 T CA 1.932 64.127 62.100 0.159 0.000 1.151 166 T CB -0.319 68.663 68.868 0.191 0.000 0.862 166 T HN 0.363 nan 8.240 nan 0.000 0.438 167 E N -0.500 119.694 120.200 -0.011 0.000 2.033 167 E HA -0.100 4.252 4.350 0.003 0.000 0.189 167 E C 2.342 178.916 176.600 -0.043 0.000 0.979 167 E CA 1.075 57.460 56.400 -0.024 0.000 0.802 167 E CB -0.126 29.543 29.700 -0.051 0.000 0.763 167 E HN 0.457 nan 8.360 nan 0.000 0.449 168 c N 0.359 118.896 118.600 -0.104 0.000 2.457 168 c HA -0.038 4.534 4.570 0.003 0.000 0.278 168 c C 2.765 176.819 174.090 -0.060 0.000 1.309 168 c CA 0.163 56.426 56.329 -0.110 0.000 1.735 168 c CB -0.809 41.580 42.510 -0.203 0.000 1.992 168 c HN 0.637 nan 8.230 nan 0.000 0.493 169 c N 0.292 118.875 118.600 -0.029 0.000 2.437 169 c HA -0.086 4.486 4.570 0.003 0.000 0.283 169 c C 2.489 176.615 174.090 0.059 0.000 1.424 169 c CA 0.876 57.233 56.329 0.046 0.000 1.782 169 c CB -1.629 40.966 42.510 0.142 0.000 1.833 169 c HN 0.655 nan 8.230 nan 0.000 0.532 170 Q N 0.343 120.173 119.800 0.050 0.000 2.408 170 Q HA 0.243 4.585 4.340 0.003 0.000 0.205 170 Q C 1.081 177.092 176.000 0.019 0.000 0.919 170 Q CA -0.001 55.830 55.803 0.046 0.000 0.932 170 Q CB 0.111 28.883 28.738 0.056 0.000 1.058 170 Q HN 0.662 nan 8.270 nan 0.000 0.517 171 A N 0.506 123.328 122.820 0.003 0.000 2.406 171 A HA 0.363 4.685 4.320 0.003 0.000 0.243 171 A C 1.177 178.758 177.584 -0.006 0.000 1.082 171 A CA 0.574 52.607 52.037 -0.008 0.000 0.786 171 A CB 0.257 19.243 19.000 -0.024 0.000 1.029 171 A HN 0.334 nan 8.150 nan 0.000 0.495 172 A N 0.147 122.963 122.820 -0.008 0.000 1.855 172 A HA -0.004 4.318 4.320 0.003 0.000 0.215 172 A C 1.061 178.639 177.584 -0.009 0.000 1.191 172 A CA 1.865 53.898 52.037 -0.007 0.000 0.613 172 A CB -0.266 18.730 19.000 -0.007 0.000 0.829 172 A HN 0.741 nan 8.150 nan 0.000 0.442 173 D N -0.648 119.744 120.400 -0.014 0.000 2.505 173 D HA 0.323 4.965 4.640 0.003 0.000 0.242 173 D C 0.807 177.093 176.300 -0.022 0.000 1.136 173 D CA -0.184 53.807 54.000 -0.016 0.000 0.954 173 D CB 0.352 41.142 40.800 -0.017 0.000 1.002 173 D HN 0.282 nan 8.370 nan 0.000 0.512 174 K N 1.093 121.481 120.400 -0.019 0.000 2.052 174 K HA -0.246 4.076 4.320 0.003 0.000 0.215 174 K C 1.891 178.466 176.600 -0.041 0.000 1.053 174 K CA 1.849 58.119 56.287 -0.028 0.000 0.934 174 K CB -0.011 32.483 32.500 -0.010 0.000 0.717 174 K HN 0.344 nan 8.250 nan 0.000 0.450 175 A N 1.361 124.165 122.820 -0.026 0.000 1.902 175 A HA -0.135 4.187 4.320 0.003 0.000 0.217 175 A C 2.396 179.957 177.584 -0.038 0.000 1.181 175 A CA 1.933 53.953 52.037 -0.028 0.000 0.623 175 A CB -0.852 18.140 19.000 -0.012 0.000 0.818 175 A HN 0.377 nan 8.150 nan 0.000 0.443 176 A N -1.481 121.319 122.820 -0.033 0.000 2.019 176 A HA -0.159 4.163 4.320 0.003 0.000 0.219 176 A C 2.322 179.878 177.584 -0.047 0.000 1.164 176 A CA 1.748 53.764 52.037 -0.034 0.000 0.644 176 A CB -1.119 17.865 19.000 -0.026 0.000 0.805 176 A HN 0.758 nan 8.150 nan 0.000 0.449 177 c N -1.711 116.853 118.600 -0.059 0.000 2.668 177 c HA 0.193 4.765 4.570 0.003 0.000 0.283 177 c C 2.360 176.380 174.090 -0.117 0.000 1.317 177 c CA 0.909 57.190 56.329 -0.079 0.000 1.696 177 c CB -1.138 41.325 42.510 -0.078 0.000 2.138 177 c HN 0.548 nan 8.230 nan 0.000 0.520 178 L N 1.099 122.234 121.223 -0.147 0.000 1.989 178 L HA -0.031 4.311 4.340 0.003 0.000 0.211 178 L C 2.283 179.046 176.870 -0.177 0.000 1.071 178 L CA 1.969 56.673 54.840 -0.225 0.000 0.749 178 L CB -1.121 40.781 42.059 -0.261 0.000 0.890 178 L HN 0.283 nan 8.230 nan 0.000 0.431 179 L N 0.419 121.578 121.223 -0.105 0.000 1.963 179 L HA -0.208 4.134 4.340 0.003 0.000 0.220 179 L C -0.370 176.463 176.870 -0.062 0.000 1.076 179 L CA 2.844 57.645 54.840 -0.064 0.000 0.772 179 L CB -2.426 39.613 42.059 -0.033 0.000 0.892 179 L HN 0.273 nan 8.230 nan 0.000 0.435 180 P HA -0.203 nan 4.420 nan 0.000 0.218 180 P C 1.378 178.637 177.300 -0.068 0.000 1.146 180 P CA 1.579 64.650 63.100 -0.048 0.000 0.813 180 P CB -0.015 31.661 31.700 -0.040 0.000 0.778 181 K N -0.410 119.924 120.400 -0.110 0.000 2.062 181 K HA 0.002 4.324 4.320 0.003 0.000 0.205 181 K C 2.332 178.832 176.600 -0.166 0.000 1.051 181 K CA 0.924 57.120 56.287 -0.151 0.000 0.941 181 K CB -0.454 31.918 32.500 -0.215 0.000 0.719 181 K HN 0.170 nan 8.250 nan 0.000 0.440 182 L N 1.031 122.171 121.223 -0.139 0.000 2.093 182 L HA -0.196 4.146 4.340 0.003 0.000 0.208 182 L C 1.827 178.694 176.870 -0.005 0.000 1.085 182 L CA 0.994 55.798 54.840 -0.059 0.000 0.755 182 L CB -0.413 41.653 42.059 0.012 0.000 0.904 182 L HN 0.164 nan 8.230 nan 0.000 0.435 183 D N -0.094 120.300 120.400 -0.010 0.000 2.117 183 D HA -0.215 4.427 4.640 0.003 0.000 0.197 183 D C 2.038 178.347 176.300 0.015 0.000 0.987 183 D CA 1.151 55.160 54.000 0.014 0.000 0.829 183 D CB 0.045 40.851 40.800 0.010 0.000 0.961 183 D HN 0.375 nan 8.370 nan 0.000 0.460 184 E N 0.262 120.458 120.200 -0.008 0.000 2.072 184 E HA -0.109 4.243 4.350 0.003 0.000 0.191 184 E C 2.383 179.002 176.600 0.032 0.000 0.985 184 E CA 0.348 56.755 56.400 0.012 0.000 0.801 184 E CB -0.002 29.695 29.700 -0.005 0.000 0.750 184 E HN 0.193 nan 8.360 nan 0.000 0.452 185 L N 0.527 121.730 121.223 -0.034 0.000 2.012 185 L HA -0.209 4.133 4.340 0.003 0.000 0.210 185 L C 2.952 179.863 176.870 0.069 0.000 1.073 185 L CA 1.443 56.263 54.840 -0.033 0.000 0.748 185 L CB -0.512 41.279 42.059 -0.448 0.000 0.891 185 L HN 0.156 nan 8.230 nan 0.000 0.431 186 R N 0.248 120.799 120.500 0.084 0.000 2.080 186 R HA -0.202 4.140 4.340 0.003 0.000 0.236 186 R C 1.935 178.269 176.300 0.056 0.000 1.137 186 R CA 2.169 58.321 56.100 0.087 0.000 0.943 186 R CB -0.277 30.078 30.300 0.092 0.000 0.846 186 R HN 0.345 nan 8.270 nan 0.000 0.431 187 D N 0.254 120.694 120.400 0.067 0.000 2.104 187 D HA -0.200 4.442 4.640 0.003 0.000 0.194 187 D C 1.747 178.113 176.300 0.109 0.000 0.994 187 D CA 1.322 55.368 54.000 0.077 0.000 0.830 187 D CB -0.266 40.575 40.800 0.070 0.000 0.959 187 D HN 0.444 nan 8.370 nan 0.000 0.452 188 E N 0.133 120.423 120.200 0.151 0.000 2.110 188 E HA -0.113 4.239 4.350 0.003 0.000 0.193 188 E C 2.114 178.813 176.600 0.165 0.000 0.988 188 E CA 1.030 57.579 56.400 0.247 0.000 0.804 188 E CB -0.148 29.778 29.700 0.377 0.000 0.745 188 E HN 0.261 nan 8.360 nan 0.000 0.458 189 G N 1.098 109.856 108.800 -0.071 0.000 2.418 189 G HA2 -0.260 3.702 3.960 0.003 0.000 0.217 189 G HA3 -0.260 3.702 3.960 0.003 0.000 0.217 189 G C 1.465 176.310 174.900 -0.092 0.000 1.158 189 G CA 0.731 45.592 45.100 -0.400 0.000 0.771 189 G HN 0.168 nan 8.290 nan 0.000 0.545 190 K N 0.591 120.985 120.400 -0.010 0.000 2.097 190 K HA 0.070 4.392 4.320 0.003 0.000 0.206 190 K C 2.896 179.535 176.600 0.064 0.000 1.049 190 K CA 0.961 57.275 56.287 0.044 0.000 0.933 190 K CB -0.169 32.369 32.500 0.064 0.000 0.717 190 K HN 0.274 nan 8.250 nan 0.000 0.442 191 A N 0.834 123.707 122.820 0.087 0.000 1.929 191 A HA -0.140 4.182 4.320 0.003 0.000 0.216 191 A C 2.219 179.844 177.584 0.068 0.000 1.176 191 A CA 1.787 53.885 52.037 0.102 0.000 0.628 191 A CB -0.546 18.554 19.000 0.168 0.000 0.816 191 A HN 0.248 nan 8.150 nan 0.000 0.444 192 S N -0.694 115.056 115.700 0.084 0.000 2.368 192 S HA -0.137 4.335 4.470 0.003 0.000 0.224 192 S C 2.335 176.834 174.600 -0.169 0.000 1.029 192 S CA 1.895 60.114 58.200 0.032 0.000 0.988 192 S CB -0.402 62.922 63.200 0.206 0.000 0.838 192 S HN 0.613 nan 8.310 nan 0.000 0.462 193 S N 0.570 116.166 115.700 -0.174 0.000 2.368 193 S HA 0.052 4.524 4.470 0.003 0.000 0.224 193 S C 2.068 176.633 174.600 -0.058 0.000 1.029 193 S CA 1.309 59.386 58.200 -0.206 0.000 0.988 193 S CB -0.688 62.545 63.200 0.055 0.000 0.838 193 S HN 0.665 nan 8.310 nan 0.000 0.462 194 A N 1.054 123.874 122.820 -0.000 0.000 1.930 194 A HA -0.052 4.270 4.320 0.003 0.000 0.217 194 A C 2.273 179.848 177.584 -0.016 0.000 1.175 194 A CA 1.657 53.702 52.037 0.014 0.000 0.627 194 A CB -0.698 18.323 19.000 0.035 0.000 0.815 194 A HN 0.510 nan 8.150 nan 0.000 0.443 195 K N -0.561 119.821 120.400 -0.030 0.000 2.097 195 K HA -0.093 4.229 4.320 0.003 0.000 0.205 195 K C 2.265 178.829 176.600 -0.060 0.000 1.050 195 K CA 1.531 57.791 56.287 -0.046 0.000 0.938 195 K CB -0.572 31.904 32.500 -0.039 0.000 0.718 195 K HN 0.805 nan 8.250 nan 0.000 0.442 196 Q N -0.384 119.371 119.800 -0.077 0.000 2.084 196 Q HA -0.091 4.251 4.340 0.003 0.000 0.202 196 Q C 2.449 178.420 176.000 -0.049 0.000 0.978 196 Q CA 1.487 57.250 55.803 -0.066 0.000 0.844 196 Q CB -0.163 28.501 28.738 -0.123 0.000 0.898 196 Q HN 0.113 nan 8.270 nan 0.000 0.426 197 R N 0.631 121.104 120.500 -0.045 0.000 2.070 197 R HA -0.132 4.210 4.340 0.003 0.000 0.233 197 R C 2.125 178.393 176.300 -0.054 0.000 1.137 197 R CA 0.955 57.028 56.100 -0.045 0.000 0.945 197 R CB -1.019 29.273 30.300 -0.013 0.000 0.845 197 R HN 0.215 nan 8.270 nan 0.000 0.430 198 L N 1.388 122.583 121.223 -0.045 0.000 1.978 198 L HA -0.269 4.073 4.340 0.003 0.000 0.218 198 L C 1.586 178.414 176.870 -0.070 0.000 1.075 198 L CA 2.064 56.874 54.840 -0.050 0.000 0.767 198 L CB -0.574 41.452 42.059 -0.055 0.000 0.890 198 L HN 0.096 nan 8.230 nan 0.000 0.434 199 K N -1.201 119.144 120.400 -0.091 0.000 2.063 199 K HA -0.197 4.125 4.320 0.003 0.000 0.208 199 K C 2.095 178.654 176.600 -0.069 0.000 1.048 199 K CA 1.822 58.046 56.287 -0.105 0.000 0.928 199 K CB -0.610 31.824 32.500 -0.110 0.000 0.713 199 K HN 0.497 nan 8.250 nan 0.000 0.442 200 c N 0.345 118.906 118.600 -0.066 0.000 2.446 200 c HA -0.022 4.550 4.570 0.003 0.000 0.277 200 c C 2.914 176.946 174.090 -0.097 0.000 1.275 200 c CA 0.673 56.952 56.329 -0.084 0.000 1.727 200 c CB -0.848 41.602 42.510 -0.100 0.000 2.010 200 c HN 0.550 nan 8.230 nan 0.000 0.486 201 A N 0.546 123.311 122.820 -0.091 0.000 1.902 201 A HA -0.144 4.178 4.320 0.003 0.000 0.217 201 A C 2.255 179.771 177.584 -0.113 0.000 1.181 201 A CA 2.253 54.230 52.037 -0.101 0.000 0.623 201 A CB -0.730 18.222 19.000 -0.080 0.000 0.818 201 A HN 0.554 nan 8.150 nan 0.000 0.443 202 S N -0.344 115.327 115.700 -0.050 0.000 2.382 202 S HA -0.079 4.393 4.470 0.003 0.000 0.228 202 S C 1.822 176.449 174.600 0.044 0.000 1.027 202 S CA 1.145 59.374 58.200 0.049 0.000 0.991 202 S CB -0.436 62.871 63.200 0.178 0.000 0.823 202 S HN 0.521 nan 8.310 nan 0.000 0.469 203 L N 1.258 122.483 121.223 0.003 0.000 2.127 203 L HA -0.249 4.093 4.340 0.003 0.000 0.211 203 L C 3.123 179.950 176.870 -0.070 0.000 1.089 203 L CA 1.809 56.634 54.840 -0.025 0.000 0.757 203 L CB -0.754 41.219 42.059 -0.144 0.000 0.899 203 L HN 0.526 nan 8.230 nan 0.000 0.434 204 Q N -0.376 119.354 119.800 -0.117 0.000 2.062 204 Q HA -0.183 4.159 4.340 0.003 0.000 0.196 204 Q C 2.289 178.179 176.000 -0.183 0.000 0.967 204 Q CA 1.748 57.470 55.803 -0.135 0.000 0.832 204 Q CB -0.628 28.028 28.738 -0.136 0.000 0.899 204 Q HN 0.450 nan 8.270 nan 0.000 0.442 205 K N -0.008 120.200 120.400 -0.320 0.000 1.965 205 K HA 0.022 4.344 4.320 0.003 0.000 0.214 205 K C 1.984 178.312 176.600 -0.453 0.000 1.042 205 K CA 1.463 57.430 56.287 -0.534 0.000 0.950 205 K CB -1.028 30.841 32.500 -1.052 0.000 0.733 205 K HN 0.760 nan 8.250 nan 0.000 0.441 206 F N 0.557 120.509 119.950 0.004 0.000 2.558 206 F HA 0.255 4.785 4.527 0.005 0.000 0.298 206 F C 1.580 177.401 175.800 0.035 0.000 1.119 206 F CA 0.465 58.480 58.000 0.025 0.000 1.451 206 F CB -0.511 38.513 39.000 0.040 0.000 1.091 206 F HN 0.490 nan 8.300 nan 0.000 0.563 207 G N 0.664 109.546 108.800 0.137 0.000 2.757 207 G HA2 -0.271 3.692 3.960 0.003 0.000 0.638 207 G HA3 -0.271 3.692 3.960 0.003 0.000 0.638 207 G C 0.290 175.278 174.900 0.147 0.000 1.344 207 G CA -0.032 45.129 45.100 0.102 0.000 0.855 207 G HN 0.265 nan 8.290 nan 0.000 0.537 208 E N -0.423 119.840 120.200 0.105 0.000 2.077 208 E HA -0.135 4.217 4.350 0.003 0.000 0.193 208 E C 2.550 179.272 176.600 0.204 0.000 0.989 208 E CA 1.336 57.820 56.400 0.140 0.000 0.800 208 E CB -0.050 29.695 29.700 0.074 0.000 0.746 208 E HN 0.518 nan 8.360 nan 0.000 0.452 209 R N 0.116 120.708 120.500 0.154 0.000 2.097 209 R HA -0.206 4.136 4.340 0.003 0.000 0.236 209 R C 2.224 178.622 176.300 0.163 0.000 1.135 209 R CA 1.750 57.937 56.100 0.145 0.000 0.934 209 R CB -0.414 29.956 30.300 0.116 0.000 0.846 209 R HN 0.197 nan 8.270 nan 0.000 0.431 210 A N -0.160 122.767 122.820 0.177 0.000 2.024 210 A HA -0.186 4.136 4.320 0.003 0.000 0.220 210 A C 1.985 179.684 177.584 0.192 0.000 1.164 210 A CA 1.308 53.445 52.037 0.166 0.000 0.643 210 A CB -0.720 18.381 19.000 0.169 0.000 0.806 210 A HN 0.583 nan 8.150 nan 0.000 0.451 211 F N 0.394 120.402 119.950 0.096 0.000 2.163 211 F HA -0.028 4.501 4.527 0.004 0.000 0.297 211 F C 2.127 177.983 175.800 0.094 0.000 1.094 211 F CA 1.788 59.825 58.000 0.061 0.000 1.290 211 F CB -0.070 38.934 39.000 0.006 0.000 1.017 211 F HN 0.074 nan 8.300 nan 0.000 0.483 212 K N 0.263 120.773 120.400 0.184 0.000 2.057 212 K HA -0.122 4.200 4.320 0.003 0.000 0.207 212 K C 2.305 178.923 176.600 0.029 0.000 1.049 212 K CA 1.131 57.480 56.287 0.104 0.000 0.931 212 K CB -0.545 32.049 32.500 0.157 0.000 0.714 212 K HN 0.343 nan 8.250 nan 0.000 0.440 213 A N 1.541 124.399 122.820 0.063 0.000 1.883 213 A HA -0.206 4.116 4.320 0.003 0.000 0.217 213 A C 1.919 179.503 177.584 -0.000 0.000 1.186 213 A CA 1.208 53.272 52.037 0.045 0.000 0.624 213 A CB -0.913 18.119 19.000 0.054 0.000 0.822 213 A HN 0.561 nan 8.150 nan 0.000 0.444 214 W N 0.649 121.828 121.300 -0.202 0.000 2.358 214 W HA -0.152 4.510 4.660 0.003 0.000 0.303 214 W C 2.400 178.744 176.519 -0.292 0.000 1.208 214 W CA 2.062 59.253 57.345 -0.257 0.000 1.274 214 W CB -0.451 28.814 29.460 -0.325 0.000 1.138 214 W HN 0.429 nan 8.180 nan 0.000 0.515 215 A N -0.147 122.617 122.820 -0.094 0.000 1.930 215 A HA -0.117 4.205 4.320 0.003 0.000 0.217 215 A C 2.146 179.700 177.584 -0.050 0.000 1.175 215 A CA 1.910 53.868 52.037 -0.132 0.000 0.627 215 A CB -1.022 17.822 19.000 -0.260 0.000 0.815 215 A HN 0.062 nan 8.150 nan 0.000 0.443 216 V N -0.031 119.870 119.914 -0.020 0.000 2.295 216 V HA -0.264 3.858 4.120 0.003 0.000 0.246 216 V C 3.071 179.174 176.094 0.016 0.000 1.049 216 V CA 1.997 64.320 62.300 0.038 0.000 1.024 216 V CB -1.254 30.628 31.823 0.097 0.000 0.648 216 V HN 0.612 nan 8.190 nan 0.000 0.447 217 A N 0.482 123.263 122.820 -0.065 0.000 1.858 217 A HA -0.277 4.045 4.320 0.003 0.000 0.216 217 A C 2.307 179.799 177.584 -0.154 0.000 1.190 217 A CA 2.338 54.292 52.037 -0.138 0.000 0.617 217 A CB -0.583 18.258 19.000 -0.265 0.000 0.827 217 A HN 0.476 nan 8.150 nan 0.000 0.443 218 R N 0.197 120.597 120.500 -0.167 0.000 2.073 218 R HA -0.014 4.328 4.340 0.003 0.000 0.234 218 R C 1.878 178.083 176.300 -0.159 0.000 1.134 218 R CA 1.845 57.854 56.100 -0.152 0.000 0.952 218 R CB -0.961 29.297 30.300 -0.070 0.000 0.850 218 R HN 0.495 nan 8.270 nan 0.000 0.433 219 L N 0.066 121.223 121.223 -0.110 0.000 2.201 219 L HA -0.086 4.256 4.340 0.003 0.000 0.212 219 L C 2.136 178.964 176.870 -0.069 0.000 1.105 219 L CA 1.423 56.188 54.840 -0.125 0.000 0.775 219 L CB -0.327 41.754 42.059 0.037 0.000 0.913 219 L HN 0.238 nan 8.230 nan 0.000 0.440 220 S N -0.761 114.938 115.700 -0.001 0.000 2.428 220 S HA -0.148 4.324 4.470 0.003 0.000 0.230 220 S C 1.883 176.433 174.600 -0.083 0.000 1.014 220 S CA 0.877 59.097 58.200 0.033 0.000 0.957 220 S CB -0.012 63.212 63.200 0.040 0.000 0.784 220 S HN 0.466 nan 8.310 nan 0.000 0.499 221 Q N 0.755 120.472 119.800 -0.139 0.000 2.046 221 Q HA 0.028 4.371 4.340 0.003 0.000 0.200 221 Q C 2.420 178.318 176.000 -0.171 0.000 0.975 221 Q CA 0.936 56.642 55.803 -0.160 0.000 0.836 221 Q CB -0.132 28.507 28.738 -0.164 0.000 0.896 221 Q HN 0.402 nan 8.270 nan 0.000 0.428 222 R N -0.217 120.117 120.500 -0.277 0.000 2.075 222 R HA -0.046 4.296 4.340 0.003 0.000 0.232 222 R C 0.254 176.431 176.300 -0.204 0.000 1.126 222 R CA 0.774 56.641 56.100 -0.389 0.000 0.963 222 R CB 0.184 30.008 30.300 -0.794 0.000 0.858 222 R HN 0.137 nan 8.270 nan 0.000 0.435 223 F N 1.019 120.963 119.950 -0.010 0.000 2.532 223 F HA 0.302 4.832 4.527 0.004 0.000 0.313 223 F C -1.598 174.211 175.800 0.015 0.000 1.301 223 F CA -3.309 54.697 58.000 0.009 0.000 1.154 223 F CB 0.799 39.820 39.000 0.036 0.000 1.335 223 F HN -0.095 nan 8.300 nan 0.000 0.542 224 P HA -0.182 nan 4.420 nan 0.000 0.221 224 P C 0.891 178.221 177.300 0.050 0.000 1.145 224 P CA 1.410 64.520 63.100 0.016 0.000 0.795 224 P CB 0.337 31.998 31.700 -0.065 0.000 0.775 225 K N -0.615 119.839 120.400 0.090 0.000 2.400 225 K HA 0.229 4.551 4.320 0.003 0.000 0.194 225 K C 1.181 177.851 176.600 0.115 0.000 1.033 225 K CA -0.118 56.215 56.287 0.078 0.000 1.021 225 K CB 0.056 32.583 32.500 0.045 0.000 0.808 225 K HN 0.066 nan 8.250 nan 0.000 0.505 226 A N 1.865 124.780 122.820 0.157 0.000 2.445 226 A HA 0.056 4.378 4.320 0.003 0.000 0.242 226 A C -0.042 177.674 177.584 0.219 0.000 1.075 226 A CA -0.253 51.870 52.037 0.143 0.000 0.777 226 A CB 0.288 19.368 19.000 0.134 0.000 1.013 226 A HN 0.182 nan 8.150 nan 0.000 0.493 227 E N 0.344 120.620 120.200 0.127 0.000 2.392 227 E HA 0.215 4.567 4.350 0.003 0.000 0.259 227 E C 0.469 177.052 176.600 -0.029 0.000 1.108 227 E CA -0.109 56.355 56.400 0.106 0.000 0.916 227 E CB 0.221 29.956 29.700 0.058 0.000 0.989 227 E HN 0.505 nan 8.360 nan 0.000 0.432 228 F N 3.333 123.058 119.950 -0.375 0.000 2.202 228 F HA -0.116 4.413 4.527 0.003 0.000 0.301 228 F C 1.674 177.302 175.800 -0.287 0.000 1.082 228 F CA 1.833 59.410 58.000 -0.705 0.000 1.313 228 F CB -0.305 38.249 39.000 -0.745 0.000 1.024 228 F HN 0.529 nan 8.300 nan 0.000 0.495 229 A N -0.391 122.277 122.820 -0.254 0.000 1.930 229 A HA -0.149 4.173 4.320 0.003 0.000 0.217 229 A C 2.074 179.526 177.584 -0.219 0.000 1.175 229 A CA 1.605 53.495 52.037 -0.246 0.000 0.627 229 A CB -0.752 18.213 19.000 -0.059 0.000 0.815 229 A HN 0.424 nan 8.150 nan 0.000 0.443 230 E N -0.226 119.897 120.200 -0.128 0.000 2.072 230 E HA -0.090 4.262 4.350 0.003 0.000 0.191 230 E C 1.839 178.393 176.600 -0.076 0.000 0.985 230 E CA 1.310 57.682 56.400 -0.047 0.000 0.801 230 E CB -0.289 29.420 29.700 0.014 0.000 0.750 230 E HN 0.222 nan 8.360 nan 0.000 0.452 231 V N 0.103 119.943 119.914 -0.123 0.000 2.407 231 V HA -0.239 3.883 4.120 0.003 0.000 0.248 231 V C 2.281 178.257 176.094 -0.198 0.000 1.055 231 V CA 1.907 64.158 62.300 -0.082 0.000 1.049 231 V CB -0.477 31.325 31.823 -0.035 0.000 0.662 231 V HN 0.242 nan 8.190 nan 0.000 0.455 232 S N -0.867 114.580 115.700 -0.422 0.000 2.368 232 S HA -0.173 4.299 4.470 0.003 0.000 0.224 232 S C 2.121 176.605 174.600 -0.195 0.000 1.029 232 S CA 1.209 59.177 58.200 -0.387 0.000 0.988 232 S CB -0.267 62.590 63.200 -0.572 0.000 0.838 232 S HN 0.431 nan 8.310 nan 0.000 0.462 233 K N 1.589 121.883 120.400 -0.177 0.000 2.009 233 K HA -0.060 4.262 4.320 0.003 0.000 0.210 233 K C 2.005 178.524 176.600 -0.135 0.000 1.049 233 K CA 1.386 57.584 56.287 -0.148 0.000 0.929 233 K CB -0.773 31.640 32.500 -0.145 0.000 0.714 233 K HN 0.351 nan 8.250 nan 0.000 0.440 234 L N 0.688 121.856 121.223 -0.090 0.000 2.079 234 L HA -0.190 4.152 4.340 0.003 0.000 0.210 234 L C 2.517 179.398 176.870 0.018 0.000 1.081 234 L CA 0.837 55.663 54.840 -0.023 0.000 0.752 234 L CB -0.408 41.696 42.059 0.076 0.000 0.896 234 L HN -0.034 nan 8.230 nan 0.000 0.433 235 V N -0.752 119.166 119.914 0.006 0.000 2.427 235 V HA -0.241 3.881 4.120 0.003 0.000 0.248 235 V C 2.522 178.662 176.094 0.077 0.000 1.051 235 V CA 2.128 64.459 62.300 0.051 0.000 1.048 235 V CB -0.493 31.341 31.823 0.019 0.000 0.666 235 V HN 0.466 nan 8.190 nan 0.000 0.456 236 T N -0.050 114.514 114.554 0.016 0.000 2.643 236 T HA -0.201 4.151 4.350 0.003 0.000 0.264 236 T C 1.673 176.385 174.700 0.021 0.000 1.045 236 T CA 1.865 63.975 62.100 0.016 0.000 1.155 236 T CB -0.403 68.447 68.868 -0.029 0.000 0.863 236 T HN 0.477 nan 8.240 nan 0.000 0.420 237 D N 0.934 121.322 120.400 -0.020 0.000 2.117 237 D HA -0.048 4.594 4.640 0.003 0.000 0.197 237 D C 2.043 178.365 176.300 0.037 0.000 0.987 237 D CA 0.563 54.549 54.000 -0.022 0.000 0.829 237 D CB -0.544 40.205 40.800 -0.086 0.000 0.961 237 D HN 0.142 nan 8.370 nan 0.000 0.460 238 L N 0.864 122.145 121.223 0.096 0.000 2.079 238 L HA -0.140 4.202 4.340 0.003 0.000 0.210 238 L C 2.175 179.218 176.870 0.289 0.000 1.081 238 L CA 1.629 56.589 54.840 0.200 0.000 0.752 238 L CB -0.788 41.425 42.059 0.257 0.000 0.896 238 L HN -0.046 nan 8.230 nan 0.000 0.433 239 T N -0.667 114.046 114.554 0.265 0.000 2.777 239 T HA -0.213 4.139 4.350 0.003 0.000 0.266 239 T C 1.865 176.544 174.700 -0.035 0.000 1.040 239 T CA 1.610 63.792 62.100 0.136 0.000 1.141 239 T CB -0.133 68.834 68.868 0.165 0.000 0.868 239 T HN 0.367 nan 8.240 nan 0.000 0.444 240 K N 0.950 121.349 120.400 -0.001 0.000 2.002 240 K HA -0.099 4.223 4.320 0.003 0.000 0.209 240 K C 2.228 178.802 176.600 -0.044 0.000 1.048 240 K CA 1.246 57.515 56.287 -0.031 0.000 0.930 240 K CB -0.469 32.020 32.500 -0.018 0.000 0.714 240 K HN 0.117 nan 8.250 nan 0.000 0.438 241 V N 1.682 121.573 119.914 -0.038 0.000 2.250 241 V HA -0.304 3.818 4.120 0.003 0.000 0.250 241 V C 2.461 178.450 176.094 -0.175 0.000 1.060 241 V CA 2.132 64.372 62.300 -0.100 0.000 1.030 241 V CB -0.747 31.003 31.823 -0.121 0.000 0.643 241 V HN 0.478 nan 8.190 nan 0.000 0.445 242 H N -0.453 118.547 119.070 -0.116 0.000 2.423 242 H HA -0.094 4.465 4.556 0.004 0.000 0.297 242 H C 2.459 177.665 175.328 -0.203 0.000 1.075 242 H CA 1.880 57.821 56.048 -0.177 0.000 1.342 242 H CB -0.205 29.387 29.762 -0.284 0.000 1.395 242 H HN 0.445 nan 8.280 nan 0.000 0.530 243 T N 0.758 115.242 114.554 -0.117 0.000 2.674 243 T HA -0.123 4.229 4.350 0.003 0.000 0.265 243 T C 1.927 176.605 174.700 -0.037 0.000 1.039 243 T CA 1.321 63.354 62.100 -0.112 0.000 1.150 243 T CB -0.005 68.792 68.868 -0.118 0.000 0.864 243 T HN 0.245 nan 8.240 nan 0.000 0.427 244 E N 0.515 120.705 120.200 -0.017 0.000 2.023 244 E HA -0.100 4.252 4.350 0.003 0.000 0.196 244 E C 2.500 179.140 176.600 0.066 0.000 1.003 244 E CA 1.025 57.453 56.400 0.047 0.000 0.809 244 E CB -0.854 28.865 29.700 0.031 0.000 0.755 244 E HN 0.474 nan 8.360 nan 0.000 0.449 245 c N -0.213 118.384 118.600 -0.006 0.000 2.413 245 c HA -0.190 4.382 4.570 0.003 0.000 0.277 245 c C 2.866 176.988 174.090 0.052 0.000 1.265 245 c CA 0.649 56.978 56.329 0.001 0.000 1.752 245 c CB -1.053 41.379 42.510 -0.130 0.000 1.998 245 c HN 0.531 nan 8.230 nan 0.000 0.489 246 c N -1.051 117.565 118.600 0.026 0.000 2.435 246 c HA -0.140 4.432 4.570 0.003 0.000 0.279 246 c C 2.581 176.709 174.090 0.063 0.000 1.321 246 c CA 1.095 57.429 56.329 0.008 0.000 1.752 246 c CB -1.915 40.571 42.510 -0.041 0.000 1.959 246 c HN 0.716 nan 8.230 nan 0.000 0.500 247 H N 0.005 119.068 119.070 -0.011 0.000 2.457 247 H HA -0.038 4.520 4.556 0.003 0.000 0.297 247 H C 1.923 177.318 175.328 0.112 0.000 1.092 247 H CA 1.147 57.208 56.048 0.022 0.000 1.309 247 H CB -0.058 29.720 29.762 0.025 0.000 1.382 247 H HN 0.561 nan 8.280 nan 0.000 0.535 248 G N 0.487 109.387 108.800 0.166 0.000 2.231 248 G HA2 -0.243 3.719 3.960 0.003 0.000 0.206 248 G HA3 -0.243 3.719 3.960 0.003 0.000 0.206 248 G C -0.064 174.886 174.900 0.084 0.000 0.996 248 G CA 0.177 45.402 45.100 0.209 0.000 0.645 248 G HN 0.517 nan 8.290 nan 0.000 0.498 249 D N 1.609 122.027 120.400 0.029 0.000 2.348 249 D HA 0.270 4.912 4.640 0.003 0.000 0.259 249 D C 1.787 178.147 176.300 0.100 0.000 1.296 249 D CA -0.287 53.763 54.000 0.083 0.000 0.931 249 D CB 0.755 41.617 40.800 0.103 0.000 1.067 249 D HN 0.166 nan 8.370 nan 0.000 0.503 250 L N 5.579 126.837 121.223 0.060 0.000 2.021 250 L HA -0.217 4.125 4.340 0.003 0.000 0.215 250 L C 1.917 178.804 176.870 0.028 0.000 1.074 250 L CA 1.780 56.641 54.840 0.035 0.000 0.760 250 L CB -0.645 41.363 42.059 -0.086 0.000 0.889 250 L HN 0.561 nan 8.230 nan 0.000 0.433 251 L N -0.782 120.411 121.223 -0.050 0.000 1.994 251 L HA -0.191 4.151 4.340 0.003 0.000 0.208 251 L C 2.736 179.659 176.870 0.087 0.000 1.071 251 L CA 1.388 56.206 54.840 -0.037 0.000 0.745 251 L CB -0.711 41.231 42.059 -0.196 0.000 0.892 251 L HN 0.324 nan 8.230 nan 0.000 0.431 252 E N -0.550 119.741 120.200 0.151 0.000 2.058 252 E HA -0.292 4.060 4.350 0.003 0.000 0.194 252 E C 2.241 178.900 176.600 0.099 0.000 0.997 252 E CA 1.657 58.138 56.400 0.136 0.000 0.801 252 E CB -0.980 28.800 29.700 0.133 0.000 0.746 252 E HN 0.554 nan 8.360 nan 0.000 0.450 253 c N 1.189 119.852 118.600 0.104 0.000 2.413 253 c HA -0.118 4.454 4.570 0.003 0.000 0.277 253 c C 2.952 177.109 174.090 0.112 0.000 1.228 253 c CA 1.643 58.021 56.329 0.082 0.000 1.731 253 c CB -1.107 41.475 42.510 0.121 0.000 2.042 253 c HN 0.494 nan 8.230 nan 0.000 0.468 254 A N 0.267 123.219 122.820 0.219 0.000 1.917 254 A HA -0.210 4.112 4.320 0.003 0.000 0.219 254 A C 1.849 179.516 177.584 0.138 0.000 1.182 254 A CA 2.479 54.664 52.037 0.246 0.000 0.633 254 A CB -0.813 18.283 19.000 0.160 0.000 0.819 254 A HN 0.687 nan 8.150 nan 0.000 0.448 255 D N -0.025 120.437 120.400 0.103 0.000 2.123 255 D HA -0.086 4.556 4.640 0.003 0.000 0.200 255 D C 1.428 177.769 176.300 0.068 0.000 0.976 255 D CA 1.200 55.253 54.000 0.088 0.000 0.831 255 D CB -0.413 40.440 40.800 0.088 0.000 0.974 255 D HN 0.372 nan 8.370 nan 0.000 0.469 256 D N 0.474 120.904 120.400 0.050 0.000 2.123 256 D HA -0.105 4.537 4.640 0.003 0.000 0.196 256 D C 2.148 178.454 176.300 0.011 0.000 0.992 256 D CA 0.720 54.733 54.000 0.022 0.000 0.833 256 D CB -0.070 40.729 40.800 -0.002 0.000 0.954 256 D HN 0.204 nan 8.370 nan 0.000 0.455 257 R N 0.585 121.085 120.500 0.000 0.000 2.075 257 R HA -0.015 4.327 4.340 0.003 0.000 0.232 257 R C 2.347 178.673 176.300 0.043 0.000 1.126 257 R CA 1.155 57.250 56.100 -0.009 0.000 0.963 257 R CB -0.276 29.992 30.300 -0.052 0.000 0.858 257 R HN 0.090 nan 8.270 nan 0.000 0.435 258 A N 1.636 124.498 122.820 0.070 0.000 1.883 258 A HA -0.216 4.106 4.320 0.003 0.000 0.217 258 A C 1.614 179.244 177.584 0.077 0.000 1.186 258 A CA 1.878 53.963 52.037 0.080 0.000 0.624 258 A CB -0.475 18.578 19.000 0.089 0.000 0.822 258 A HN 0.183 nan 8.150 nan 0.000 0.444 259 D N -0.523 119.920 120.400 0.073 0.000 2.123 259 D HA -0.142 4.500 4.640 0.003 0.000 0.196 259 D C 1.829 178.190 176.300 0.100 0.000 0.992 259 D CA 1.393 55.441 54.000 0.080 0.000 0.833 259 D CB -0.377 40.461 40.800 0.063 0.000 0.954 259 D HN 0.353 nan 8.370 nan 0.000 0.455 260 L N 0.858 122.129 121.223 0.079 0.000 2.056 260 L HA -0.010 4.332 4.340 0.003 0.000 0.207 260 L C 2.094 179.045 176.870 0.136 0.000 1.078 260 L CA 1.635 56.534 54.840 0.098 0.000 0.749 260 L CB -0.762 41.329 42.059 0.053 0.000 0.901 260 L HN -0.043 nan 8.230 nan 0.000 0.433 261 A N 0.073 122.952 122.820 0.098 0.000 1.969 261 A HA -0.215 4.107 4.320 0.003 0.000 0.218 261 A C 2.272 179.902 177.584 0.076 0.000 1.169 261 A CA 1.746 53.835 52.037 0.086 0.000 0.635 261 A CB -0.564 18.479 19.000 0.071 0.000 0.810 261 A HN 0.673 nan 8.150 nan 0.000 0.445 262 K N -1.860 118.591 120.400 0.085 0.000 2.076 262 K HA -0.148 4.174 4.320 0.003 0.000 0.204 262 K C 2.030 178.657 176.600 0.044 0.000 1.051 262 K CA 1.384 57.705 56.287 0.057 0.000 0.949 262 K CB -0.684 31.854 32.500 0.064 0.000 0.726 262 K HN 0.340 nan 8.250 nan 0.000 0.443 263 Y N 2.216 122.518 120.300 0.002 0.000 2.081 263 Y HA -0.239 4.313 4.550 0.003 0.000 0.280 263 Y C 1.977 177.861 175.900 -0.026 0.000 1.163 263 Y CA 1.864 59.959 58.100 -0.008 0.000 1.135 263 Y CB -0.220 38.238 38.460 -0.005 0.000 0.970 263 Y HN -0.011 nan 8.280 nan 0.000 0.498 264 I N -0.880 119.747 120.570 0.095 0.000 2.208 264 I HA -0.413 3.759 4.170 0.003 0.000 0.245 264 I C 2.474 178.511 176.117 -0.133 0.000 1.097 264 I CA 1.494 62.784 61.300 -0.017 0.000 1.363 264 I CB -0.629 37.407 38.000 0.061 0.000 1.051 264 I HN 0.393 nan 8.210 nan 0.000 0.413 265 c N 0.464 119.014 118.600 -0.082 0.000 2.435 265 c HA -0.107 4.465 4.570 0.003 0.000 0.279 265 c C 2.598 176.618 174.090 -0.117 0.000 1.321 265 c CA 0.642 56.923 56.329 -0.081 0.000 1.752 265 c CB -1.032 41.457 42.510 -0.034 0.000 1.959 265 c HN 0.490 nan 8.230 nan 0.000 0.500 266 E N 0.738 120.841 120.200 -0.161 0.000 2.072 266 E HA -0.103 4.249 4.350 0.003 0.000 0.190 266 E C 1.009 177.478 176.600 -0.218 0.000 0.982 266 E CA 0.891 57.186 56.400 -0.175 0.000 0.803 266 E CB -0.209 29.374 29.700 -0.194 0.000 0.755 266 E HN 0.751 nan 8.360 nan 0.000 0.453 267 N N 1.312 119.816 118.700 -0.326 0.000 2.320 267 N HA -0.015 4.727 4.740 0.003 0.000 0.237 267 N C 1.341 176.720 175.510 -0.218 0.000 1.129 267 N CA -0.180 52.694 53.050 -0.293 0.000 0.854 267 N CB 0.370 38.595 38.487 -0.436 0.000 1.083 267 N HN 0.236 nan 8.380 nan 0.000 0.504 268 Q N 1.500 121.191 119.800 -0.182 0.000 2.096 268 Q HA -0.216 4.126 4.340 0.003 0.000 0.204 268 Q C 1.006 176.925 176.000 -0.135 0.000 0.982 268 Q CA 1.625 57.329 55.803 -0.164 0.000 0.850 268 Q CB -0.398 28.267 28.738 -0.122 0.000 0.901 268 Q HN 0.382 nan 8.270 nan 0.000 0.422 269 D N 1.399 121.739 120.400 -0.101 0.000 2.351 269 D HA -0.126 4.516 4.640 0.003 0.000 0.216 269 D C 1.407 177.664 176.300 -0.071 0.000 0.968 269 D CA 1.308 55.264 54.000 -0.073 0.000 0.899 269 D CB -0.076 40.691 40.800 -0.056 0.000 0.907 269 D HN 0.432 nan 8.370 nan 0.000 0.514 270 S N -1.068 114.577 115.700 -0.091 0.000 2.568 270 S HA 0.284 4.756 4.470 0.003 0.000 0.232 270 S C 1.410 175.957 174.600 -0.089 0.000 0.975 270 S CA -0.588 57.570 58.200 -0.070 0.000 0.949 270 S CB -0.113 63.050 63.200 -0.062 0.000 0.829 270 S HN 0.252 nan 8.310 nan 0.000 0.479 271 I N -0.214 120.263 120.570 -0.155 0.000 3.650 271 I HA 0.343 4.515 4.170 0.003 0.000 0.261 271 I C 0.619 176.572 176.117 -0.273 0.000 1.154 271 I CA 0.047 61.186 61.300 -0.269 0.000 1.418 271 I CB 0.853 38.576 38.000 -0.463 0.000 1.539 271 I HN 0.327 nan 8.210 nan 0.000 0.449 272 S N -0.564 114.987 115.700 -0.248 0.000 2.547 272 S HA 0.271 4.743 4.470 0.003 0.000 0.270 272 S C 0.207 174.778 174.600 -0.049 0.000 1.150 272 S CA -0.088 58.059 58.200 -0.088 0.000 0.850 272 S CB 1.555 64.749 63.200 -0.010 0.000 1.118 272 S HN 0.231 nan 8.310 nan 0.000 0.461 273 S N 2.094 117.795 115.700 0.002 0.000 2.556 273 S HA 0.255 4.727 4.470 0.003 0.000 0.216 273 S C 0.779 175.386 174.600 0.012 0.000 0.970 273 S CA -0.282 57.916 58.200 -0.003 0.000 0.912 273 S CB -0.059 63.142 63.200 0.001 0.000 0.790 273 S HN 0.571 nan 8.310 nan 0.000 0.504 274 K N 1.206 121.628 120.400 0.038 0.000 2.404 274 K HA 0.348 4.670 4.320 0.003 0.000 0.194 274 K C 0.838 177.465 176.600 0.045 0.000 1.023 274 K CA 0.106 56.421 56.287 0.047 0.000 1.094 274 K CB -0.138 32.406 32.500 0.072 0.000 0.841 274 K HN 0.442 nan 8.250 nan 0.000 0.523 275 L N 1.092 122.332 121.223 0.029 0.000 2.645 275 L HA 0.015 4.357 4.340 0.003 0.000 0.234 275 L C 2.424 179.295 176.870 0.002 0.000 1.165 275 L CA 0.131 54.982 54.840 0.017 0.000 0.944 275 L CB -0.676 41.370 42.059 -0.022 0.000 1.149 275 L HN 0.087 nan 8.230 nan 0.000 0.446 276 K N 0.382 120.784 120.400 0.003 0.000 1.984 276 K HA -0.191 4.131 4.320 0.003 0.000 0.209 276 K C 2.078 178.682 176.600 0.006 0.000 1.046 276 K CA 1.746 58.033 56.287 -0.000 0.000 0.934 276 K CB -0.921 31.579 32.500 0.000 0.000 0.717 276 K HN 0.262 nan 8.250 nan 0.000 0.438 277 E N 0.068 120.275 120.200 0.013 0.000 2.023 277 E HA -0.206 4.146 4.350 0.003 0.000 0.196 277 E C 2.234 178.846 176.600 0.020 0.000 1.003 277 E CA 1.591 58.001 56.400 0.017 0.000 0.809 277 E CB -1.151 28.561 29.700 0.021 0.000 0.755 277 E HN 0.690 nan 8.360 nan 0.000 0.449 278 c N 0.074 118.687 118.600 0.021 0.000 2.396 278 c HA -0.201 4.371 4.570 0.003 0.000 0.277 278 c C 2.921 177.026 174.090 0.024 0.000 1.231 278 c CA 1.143 57.487 56.329 0.025 0.000 1.775 278 c CB -1.529 40.997 42.510 0.027 0.000 2.036 278 c HN 0.732 nan 8.230 nan 0.000 0.484 279 c N 0.133 118.742 118.600 0.015 0.000 2.562 279 c HA 0.002 4.574 4.570 0.003 0.000 0.266 279 c C 2.259 176.356 174.090 0.011 0.000 1.382 279 c CA 0.538 56.873 56.329 0.009 0.000 1.742 279 c CB -1.475 41.032 42.510 -0.006 0.000 1.812 279 c HN 0.641 nan 8.230 nan 0.000 0.559 280 E N 0.395 120.603 120.200 0.014 0.000 2.364 280 E HA 0.029 4.381 4.350 0.003 0.000 0.196 280 E C 0.641 177.254 176.600 0.021 0.000 0.990 280 E CA 0.130 56.539 56.400 0.014 0.000 0.886 280 E CB 0.286 29.994 29.700 0.013 0.000 0.866 280 E HN 0.612 nan 8.360 nan 0.000 0.493 281 K N 1.845 122.261 120.400 0.028 0.000 2.286 281 K HA 0.074 4.396 4.320 0.003 0.000 0.256 281 K C -2.418 174.202 176.600 0.034 0.000 0.999 281 K CA -1.324 54.984 56.287 0.035 0.000 0.908 281 K CB -0.149 32.379 32.500 0.046 0.000 0.981 281 K HN -0.147 nan 8.250 nan 0.000 0.500 282 P HA -0.137 nan 4.420 nan 0.000 0.266 282 P C 0.825 178.146 177.300 0.034 0.000 1.193 282 P CA -0.103 63.015 63.100 0.029 0.000 0.770 282 P CB 0.405 32.123 31.700 0.029 0.000 0.836 283 L N 3.018 124.257 121.223 0.026 0.000 2.103 283 L HA -0.197 4.145 4.340 0.003 0.000 0.215 283 L C 1.509 178.405 176.870 0.045 0.000 1.080 283 L CA 2.267 57.126 54.840 0.033 0.000 0.764 283 L CB -1.198 40.872 42.059 0.018 0.000 0.890 283 L HN 0.357 nan 8.230 nan 0.000 0.435 284 L N 0.065 121.311 121.223 0.038 0.000 2.291 284 L HA -0.094 4.248 4.340 0.003 0.000 0.214 284 L C 2.238 179.150 176.870 0.069 0.000 1.120 284 L CA 1.461 56.329 54.840 0.046 0.000 0.799 284 L CB -0.335 41.740 42.059 0.027 0.000 0.925 284 L HN 0.300 nan 8.230 nan 0.000 0.446 285 E N -1.529 118.713 120.200 0.070 0.000 2.481 285 E HA -0.037 4.315 4.350 0.003 0.000 0.198 285 E C 1.672 178.326 176.600 0.091 0.000 1.027 285 E CA -0.155 56.296 56.400 0.085 0.000 0.900 285 E CB 0.330 30.085 29.700 0.090 0.000 0.993 285 E HN 0.432 nan 8.360 nan 0.000 0.482 286 K N 0.599 121.046 120.400 0.078 0.000 1.978 286 K HA -0.128 4.194 4.320 0.003 0.000 0.214 286 K C 2.251 178.893 176.600 0.071 0.000 1.049 286 K CA 1.536 57.863 56.287 0.067 0.000 0.939 286 K CB -0.160 32.376 32.500 0.060 0.000 0.721 286 K HN -0.075 nan 8.250 nan 0.000 0.441 287 S N 0.230 115.982 115.700 0.087 0.000 2.368 287 S HA -0.258 4.214 4.470 0.003 0.000 0.226 287 S C 1.896 176.534 174.600 0.064 0.000 1.044 287 S CA 1.874 60.118 58.200 0.074 0.000 1.062 287 S CB -0.552 62.693 63.200 0.076 0.000 0.931 287 S HN 0.393 nan 8.310 nan 0.000 0.440 288 H N 0.334 119.392 119.070 -0.021 0.000 2.289 288 H HA -0.145 4.413 4.556 0.003 0.000 0.296 288 H C 2.556 177.818 175.328 -0.110 0.000 1.091 288 H CA 1.969 57.959 56.048 -0.097 0.000 1.274 288 H CB -0.983 28.662 29.762 -0.195 0.000 1.364 288 H HN 0.446 nan 8.280 nan 0.000 0.490 289 c N 0.135 118.675 118.600 -0.099 0.000 2.413 289 c HA -0.153 4.419 4.570 0.003 0.000 0.278 289 c C 2.902 176.936 174.090 -0.092 0.000 1.224 289 c CA 1.395 57.650 56.329 -0.124 0.000 1.732 289 c CB -1.415 41.087 42.510 -0.013 0.000 2.050 289 c HN 0.699 nan 8.230 nan 0.000 0.463 290 I N 1.523 122.084 120.570 -0.015 0.000 2.335 290 I HA -0.186 3.986 4.170 0.003 0.000 0.251 290 I C 2.761 178.888 176.117 0.016 0.000 1.129 290 I CA 1.608 62.934 61.300 0.043 0.000 1.402 290 I CB -0.667 37.391 38.000 0.097 0.000 1.069 290 I HN 0.455 nan 8.210 nan 0.000 0.424 291 A N 0.207 122.999 122.820 -0.046 0.000 2.067 291 A HA -0.150 4.172 4.320 0.003 0.000 0.219 291 A C 2.051 179.559 177.584 -0.127 0.000 1.158 291 A CA 1.358 53.354 52.037 -0.069 0.000 0.661 291 A CB -0.347 18.609 19.000 -0.074 0.000 0.801 291 A HN 0.478 nan 8.150 nan 0.000 0.452 292 E N -0.705 119.386 120.200 -0.182 0.000 2.481 292 E HA 0.166 4.518 4.350 0.003 0.000 0.198 292 E C -0.231 176.301 176.600 -0.113 0.000 1.027 292 E CA -0.371 55.922 56.400 -0.178 0.000 0.900 292 E CB 0.469 30.008 29.700 -0.268 0.000 0.993 292 E HN 0.274 nan 8.360 nan 0.000 0.482 293 V N 2.386 122.257 119.914 -0.071 0.000 2.720 293 V HA -0.108 4.014 4.120 0.003 0.000 0.307 293 V C 0.453 176.521 176.094 -0.043 0.000 1.071 293 V CA 0.606 62.893 62.300 -0.022 0.000 1.199 293 V CB 1.120 32.982 31.823 0.066 0.000 0.900 293 V HN 0.143 nan 8.190 nan 0.000 0.494 294 E N 5.898 126.084 120.200 -0.023 0.000 2.408 294 E HA 0.068 4.420 4.350 0.003 0.000 0.259 294 E C 0.173 176.754 176.600 -0.031 0.000 1.110 294 E CA -0.540 55.839 56.400 -0.034 0.000 0.929 294 E CB 0.676 30.367 29.700 -0.015 0.000 0.971 294 E HN 0.859 nan 8.360 nan 0.000 0.438 295 N N 2.992 121.659 118.700 -0.056 0.000 2.492 295 N HA 0.063 4.805 4.740 0.003 0.000 0.262 295 N C -0.225 175.280 175.510 -0.008 0.000 1.202 295 N CA -0.018 52.998 53.050 -0.056 0.000 0.926 295 N CB 0.567 39.004 38.487 -0.082 0.000 1.078 295 N HN 0.585 nan 8.380 nan 0.000 0.454 296 D N 0.861 121.282 120.400 0.036 0.000 2.371 296 D HA 0.018 4.660 4.640 0.003 0.000 0.242 296 D C -0.233 176.069 176.300 0.003 0.000 1.218 296 D CA -0.017 54.011 54.000 0.046 0.000 0.945 296 D CB 0.783 41.642 40.800 0.098 0.000 1.137 296 D HN 0.264 nan 8.370 nan 0.000 0.464 297 E N 0.809 121.007 120.200 -0.003 0.000 2.354 297 E HA 0.137 4.489 4.350 0.003 0.000 0.269 297 E C 0.096 176.675 176.600 -0.035 0.000 1.036 297 E CA -0.268 56.116 56.400 -0.026 0.000 0.876 297 E CB 0.768 30.454 29.700 -0.023 0.000 1.009 297 E HN 0.428 nan 8.360 nan 0.000 0.416 298 M N 0.711 120.272 119.600 -0.064 0.000 2.233 298 M HA 0.416 4.899 4.480 0.003 0.000 0.350 298 M C -2.203 174.055 176.300 -0.070 0.000 1.176 298 M CA -1.816 53.435 55.300 -0.082 0.000 1.150 298 M CB -0.100 32.418 32.600 -0.136 0.000 1.530 298 M HN -0.089 nan 8.290 nan 0.000 0.459 299 P HA 0.012 nan 4.420 nan 0.000 0.263 299 P C 0.016 177.281 177.300 -0.059 0.000 1.175 299 P CA 0.268 63.340 63.100 -0.046 0.000 0.761 299 P CB 0.640 32.318 31.700 -0.036 0.000 0.794 300 A N 2.599 125.392 122.820 -0.046 0.000 1.968 300 A HA 0.031 4.353 4.320 0.003 0.000 0.217 300 A C 1.533 179.089 177.584 -0.046 0.000 1.169 300 A CA 1.687 53.695 52.037 -0.048 0.000 0.638 300 A CB -1.243 17.736 19.000 -0.036 0.000 0.812 300 A HN 0.582 nan 8.150 nan 0.000 0.446 301 D N 0.131 120.509 120.400 -0.036 0.000 3.110 301 D HA 0.564 5.206 4.640 0.003 0.000 0.254 301 D C -0.279 176.001 176.300 -0.033 0.000 1.283 301 D CA -0.311 53.671 54.000 -0.030 0.000 0.944 301 D CB -0.479 40.310 40.800 -0.019 0.000 1.066 301 D HN 0.349 nan 8.370 nan 0.000 0.496 302 L N 1.689 122.881 121.223 -0.052 0.000 2.272 302 L HA 0.423 4.765 4.340 0.003 0.000 0.289 302 L C -1.210 175.629 176.870 -0.052 0.000 1.032 302 L CA -1.467 53.338 54.840 -0.058 0.000 0.810 302 L CB 1.726 43.727 42.059 -0.097 0.000 1.205 302 L HN 0.377 nan 8.230 nan 0.000 0.422 303 P HA -0.020 nan 4.420 nan 0.000 0.278 303 P C -0.402 176.887 177.300 -0.018 0.000 1.268 303 P CA -0.409 62.680 63.100 -0.017 0.000 0.813 303 P CB 0.548 32.246 31.700 -0.003 0.000 1.180 304 S N -0.837 114.864 115.700 0.002 0.000 2.508 304 S HA 0.189 4.661 4.470 0.003 0.000 0.284 304 S C 1.404 176.049 174.600 0.075 0.000 1.192 304 S CA -0.877 57.336 58.200 0.023 0.000 1.070 304 S CB -0.097 63.114 63.200 0.019 0.000 1.004 304 S HN 0.268 nan 8.310 nan 0.000 0.493 305 L N 4.412 125.719 121.223 0.140 0.000 2.083 305 L HA -0.045 4.297 4.340 0.003 0.000 0.209 305 L C 2.818 179.891 176.870 0.337 0.000 1.083 305 L CA 2.156 57.196 54.840 0.335 0.000 0.752 305 L CB -2.277 40.012 42.059 0.384 0.000 0.899 305 L HN 0.892 nan 8.230 nan 0.000 0.433 306 A N -0.070 122.787 122.820 0.062 0.000 2.032 306 A HA -0.167 4.155 4.320 0.003 0.000 0.221 306 A C 2.564 180.121 177.584 -0.044 0.000 1.165 306 A CA 1.676 53.591 52.037 -0.203 0.000 0.645 306 A CB -0.473 18.351 19.000 -0.294 0.000 0.807 306 A HN 0.410 nan 8.150 nan 0.000 0.453 307 A N 0.022 122.844 122.820 0.003 0.000 1.841 307 A HA -0.218 4.104 4.320 0.003 0.000 0.216 307 A C 1.829 179.382 177.584 -0.051 0.000 1.199 307 A CA 1.805 53.836 52.037 -0.011 0.000 0.621 307 A CB -0.586 18.409 19.000 -0.009 0.000 0.835 307 A HN 0.490 nan 8.150 nan 0.000 0.445 308 D N -1.987 118.319 120.400 -0.157 0.000 2.323 308 D HA 0.083 4.725 4.640 0.003 0.000 0.209 308 D C 0.881 176.857 176.300 -0.540 0.000 0.973 308 D CA 0.740 54.499 54.000 -0.403 0.000 0.874 308 D CB 0.044 40.443 40.800 -0.667 0.000 0.930 308 D HN 0.530 nan 8.370 nan 0.000 0.521 309 F N -0.641 119.409 119.950 0.165 0.000 2.724 309 F HA 0.105 4.635 4.527 0.004 0.000 0.306 309 F C 1.840 177.734 175.800 0.157 0.000 1.100 309 F CA -0.089 58.059 58.000 0.245 0.000 1.255 309 F CB 0.779 39.955 39.000 0.292 0.000 1.072 309 F HN -0.218 nan 8.300 nan 0.000 0.589 310 V N -1.333 118.666 119.914 0.142 0.000 3.159 310 V HA 0.049 4.171 4.120 0.003 0.000 0.234 310 V C 1.501 177.629 176.094 0.057 0.000 1.313 310 V CA 0.547 62.893 62.300 0.076 0.000 1.271 310 V CB 0.508 32.235 31.823 -0.161 0.000 1.053 310 V HN 0.045 nan 8.190 nan 0.000 0.476 311 E N 0.330 120.549 120.200 0.033 0.000 2.250 311 E HA 0.076 4.428 4.350 0.003 0.000 0.192 311 E C 1.150 177.868 176.600 0.196 0.000 0.986 311 E CA 0.360 56.826 56.400 0.109 0.000 0.849 311 E CB 0.306 30.054 29.700 0.080 0.000 0.797 311 E HN 0.387 nan 8.360 nan 0.000 0.482 312 S N 0.012 115.776 115.700 0.107 0.000 2.566 312 S HA 0.128 4.600 4.470 0.003 0.000 0.280 312 S C 1.114 175.833 174.600 0.198 0.000 1.343 312 S CA 0.656 58.926 58.200 0.117 0.000 1.036 312 S CB 1.039 64.266 63.200 0.044 0.000 0.866 312 S HN 0.254 nan 8.310 nan 0.000 0.526 313 K N 1.742 122.258 120.400 0.194 0.000 2.323 313 K HA 0.119 4.441 4.320 0.003 0.000 0.197 313 K C 1.033 177.721 176.600 0.146 0.000 1.043 313 K CA 1.015 57.443 56.287 0.236 0.000 0.997 313 K CB -0.372 nan 32.500 nan 0.000 0.807 313 K HN 0.797 nan 8.250 nan 0.000 0.497 314 D N 0.528 120.976 120.400 0.080 0.000 2.340 314 D HA 0.043 4.685 4.640 0.003 0.000 0.220 314 D C 1.618 177.894 176.300 -0.039 0.000 1.039 314 D CA 0.246 54.261 54.000 0.025 0.000 0.866 314 D CB 0.442 41.247 40.800 0.009 0.000 0.913 314 D HN 0.118 nan 8.370 nan 0.000 0.523 315 V N 0.897 120.799 119.914 -0.020 0.000 2.222 315 V HA -0.382 3.740 4.120 0.003 0.000 0.252 315 V C 2.649 178.572 176.094 -0.285 0.000 1.060 315 V CA 1.808 64.017 62.300 -0.151 0.000 1.027 315 V CB -0.757 30.964 31.823 -0.171 0.000 0.644 315 V HN 0.358 nan 8.190 nan 0.000 0.448 316 c N -0.539 117.993 118.600 -0.114 0.000 2.422 316 c HA -0.143 4.429 4.570 0.003 0.000 0.279 316 c C 2.774 176.828 174.090 -0.060 0.000 1.305 316 c CA 1.314 57.612 56.329 -0.052 0.000 1.757 316 c CB -1.069 41.471 42.510 0.049 0.000 1.962 316 c HN 0.651 nan 8.230 nan 0.000 0.499 317 K N 1.212 121.571 120.400 -0.069 0.000 2.057 317 K HA -0.141 4.181 4.320 0.003 0.000 0.206 317 K C 1.604 178.130 176.600 -0.122 0.000 1.050 317 K CA 1.732 57.980 56.287 -0.066 0.000 0.935 317 K CB -0.350 32.129 32.500 -0.034 0.000 0.715 317 K HN 0.614 nan 8.250 nan 0.000 0.439 318 N N -0.701 117.868 118.700 -0.217 0.000 2.216 318 N HA -0.173 4.569 4.740 0.003 0.000 0.183 318 N C 1.759 177.036 175.510 -0.388 0.000 1.017 318 N CA 0.927 53.811 53.050 -0.276 0.000 0.861 318 N CB -0.177 38.114 38.487 -0.328 0.000 0.986 318 N HN 0.194 nan 8.380 nan 0.000 0.428 319 Y N 1.982 121.812 120.300 -0.783 0.000 2.145 319 Y HA -0.115 4.438 4.550 0.006 0.000 0.286 319 Y C 2.333 178.122 175.900 -0.185 0.000 1.145 319 Y CA 1.369 59.142 58.100 -0.544 0.000 1.148 319 Y CB -0.625 37.532 38.460 -0.505 0.000 0.981 319 Y HN 0.013 nan 8.280 nan 0.000 0.507 320 A N 0.226 122.889 122.820 -0.263 0.000 1.908 320 A HA -0.258 4.064 4.320 0.003 0.000 0.218 320 A C 2.249 179.714 177.584 -0.198 0.000 1.181 320 A CA 1.878 53.755 52.037 -0.267 0.000 0.627 320 A CB -1.014 17.918 19.000 -0.114 0.000 0.818 320 A HN 0.662 nan 8.150 nan 0.000 0.445 321 E N -0.666 119.456 120.200 -0.130 0.000 2.118 321 E HA -0.023 4.329 4.350 0.003 0.000 0.195 321 E C 0.372 176.940 176.600 -0.052 0.000 0.992 321 E CA 1.040 57.398 56.400 -0.070 0.000 0.804 321 E CB -0.107 29.570 29.700 -0.038 0.000 0.741 321 E HN 0.560 nan 8.360 nan 0.000 0.458 322 A N 0.033 122.818 122.820 -0.058 0.000 2.770 322 A HA 0.197 4.519 4.320 0.003 0.000 0.295 322 A C 0.175 177.764 177.584 0.008 0.000 1.256 322 A CA -0.613 51.420 52.037 -0.006 0.000 0.870 322 A CB 0.512 19.553 19.000 0.068 0.000 1.451 322 A HN 0.038 nan 8.150 nan 0.000 0.505 323 K N 0.407 120.719 120.400 -0.147 0.000 2.000 323 K HA -0.208 4.114 4.320 0.003 0.000 0.218 323 K C 0.859 177.550 176.600 0.151 0.000 1.053 323 K CA 2.178 58.351 56.287 -0.190 0.000 0.946 323 K CB -0.031 32.229 32.500 -0.400 0.000 0.723 323 K HN 0.646 nan 8.250 nan 0.000 0.446 324 D N 0.446 120.917 120.400 0.119 0.000 2.149 324 D HA -0.124 4.518 4.640 0.003 0.000 0.198 324 D C 1.992 178.427 176.300 0.226 0.000 0.990 324 D CA 0.840 54.944 54.000 0.174 0.000 0.839 324 D CB -0.284 40.593 40.800 0.129 0.000 0.948 324 D HN -0.028 nan 8.370 nan 0.000 0.460 325 V N 0.695 120.744 119.914 0.225 0.000 2.261 325 V HA -0.238 3.884 4.120 0.003 0.000 0.246 325 V C 2.165 178.422 176.094 0.271 0.000 1.047 325 V CA 1.312 63.777 62.300 0.275 0.000 1.015 325 V CB -0.595 31.376 31.823 0.247 0.000 0.642 325 V HN 0.074 nan 8.190 nan 0.000 0.446 326 F N 0.359 120.416 119.950 0.178 0.000 2.095 326 F HA -0.181 4.347 4.527 0.001 0.000 0.298 326 F C 2.112 178.096 175.800 0.307 0.000 1.104 326 F CA 1.661 59.809 58.000 0.247 0.000 1.232 326 F CB -0.330 38.870 39.000 0.333 0.000 0.987 326 F HN 0.001 nan 8.300 nan 0.000 0.475 327 L N -0.546 120.899 121.223 0.370 0.000 2.083 327 L HA -0.161 4.181 4.340 0.003 0.000 0.209 327 L C 2.760 179.742 176.870 0.187 0.000 1.083 327 L CA 1.271 56.271 54.840 0.267 0.000 0.752 327 L CB -1.606 40.628 42.059 0.292 0.000 0.899 327 L HN 0.326 nan 8.230 nan 0.000 0.433 328 G N -0.264 108.655 108.800 0.199 0.000 2.418 328 G HA2 -0.267 3.695 3.960 0.003 0.000 0.217 328 G HA3 -0.267 3.695 3.960 0.003 0.000 0.217 328 G C 1.644 176.628 174.900 0.140 0.000 1.158 328 G CA 0.642 45.891 45.100 0.248 0.000 0.771 328 G HN 0.190 nan 8.290 nan 0.000 0.545 329 M N -0.607 118.866 119.600 -0.210 0.000 2.117 329 M HA 0.032 4.514 4.480 0.003 0.000 0.262 329 M C 2.312 178.516 176.300 -0.160 0.000 1.065 329 M CA 1.174 56.178 55.300 -0.493 0.000 1.114 329 M CB -0.367 31.918 32.600 -0.526 0.000 1.361 329 M HN 0.281 nan 8.290 nan 0.000 0.408 330 F N 1.165 120.832 119.950 -0.473 0.000 2.095 330 F HA -0.226 4.302 4.527 0.002 0.000 0.298 330 F C 1.995 177.524 175.800 -0.451 0.000 1.104 330 F CA 1.596 59.060 58.000 -0.893 0.000 1.232 330 F CB -0.378 38.130 39.000 -0.820 0.000 0.987 330 F HN -0.039 nan 8.300 nan 0.000 0.475 331 L N -0.813 120.315 121.223 -0.159 0.000 2.012 331 L HA -0.280 4.062 4.340 0.003 0.000 0.210 331 L C 2.535 179.338 176.870 -0.111 0.000 1.073 331 L CA 1.969 56.716 54.840 -0.155 0.000 0.748 331 L CB -0.855 41.212 42.059 0.013 0.000 0.891 331 L HN 0.385 nan 8.230 nan 0.000 0.431 332 Y N 0.841 121.090 120.300 -0.085 0.000 2.097 332 Y HA -0.313 4.239 4.550 0.003 0.000 0.282 332 Y C 2.549 178.394 175.900 -0.093 0.000 1.152 332 Y CA 1.922 60.025 58.100 0.005 0.000 1.136 332 Y CB -0.236 38.359 38.460 0.226 0.000 0.975 332 Y HN 0.169 nan 8.280 nan 0.000 0.498 333 E N -0.594 119.434 120.200 -0.287 0.000 2.077 333 E HA -0.248 4.104 4.350 0.003 0.000 0.193 333 E C 2.132 178.458 176.600 -0.456 0.000 0.989 333 E CA 1.642 57.795 56.400 -0.412 0.000 0.800 333 E CB -0.914 28.679 29.700 -0.179 0.000 0.746 333 E HN 0.636 nan 8.360 nan 0.000 0.452 334 Y N 0.966 120.886 120.300 -0.632 0.000 2.200 334 Y HA -0.130 4.424 4.550 0.006 0.000 0.290 334 Y C 2.356 178.008 175.900 -0.413 0.000 1.137 334 Y CA 1.353 59.096 58.100 -0.594 0.000 1.163 334 Y CB -0.342 37.578 38.460 -0.899 0.000 0.988 334 Y HN 0.028 nan 8.280 nan 0.000 0.518 335 A N 0.808 123.516 122.820 -0.187 0.000 1.898 335 A HA -0.203 4.119 4.320 0.003 0.000 0.216 335 A C 2.178 179.624 177.584 -0.230 0.000 1.181 335 A CA 1.786 53.719 52.037 -0.174 0.000 0.620 335 A CB -0.701 18.203 19.000 -0.159 0.000 0.819 335 A HN 0.594 nan 8.150 nan 0.000 0.442 336 R N -0.755 119.558 120.500 -0.311 0.000 2.285 336 R HA 0.042 4.384 4.340 0.003 0.000 0.213 336 R C 1.584 177.687 176.300 -0.327 0.000 1.068 336 R CA 1.266 57.182 56.100 -0.306 0.000 1.004 336 R CB -0.257 29.814 30.300 -0.382 0.000 0.873 336 R HN 0.419 nan 8.270 nan 0.000 0.467 337 R N -0.397 119.860 120.500 -0.405 0.000 2.290 337 R HA 0.152 4.494 4.340 0.003 0.000 0.197 337 R C 0.005 175.826 176.300 -0.798 0.000 0.913 337 R CA 0.205 55.980 56.100 -0.541 0.000 1.040 337 R CB 0.462 30.408 30.300 -0.590 0.000 0.992 337 R HN 0.303 nan 8.270 nan 0.000 0.500 338 H N -0.103 118.713 119.070 -0.423 0.000 2.423 338 H HA 0.197 4.757 4.556 0.007 0.000 0.237 338 H C -2.145 173.000 175.328 -0.305 0.000 1.391 338 H CA -1.932 53.816 56.048 -0.500 0.000 1.453 338 H CB 1.604 30.787 29.762 -0.966 0.000 1.484 338 H HN -0.041 nan 8.280 nan 0.000 0.505 339 P HA -0.093 nan 4.420 nan 0.000 0.229 339 P C 1.236 178.509 177.300 -0.045 0.000 1.160 339 P CA 0.793 63.827 63.100 -0.110 0.000 0.777 339 P CB 0.387 32.015 31.700 -0.121 0.000 0.814 340 D N -2.576 117.828 120.400 0.006 0.000 2.355 340 D HA -0.108 4.534 4.640 0.003 0.000 0.218 340 D C 0.154 176.611 176.300 0.262 0.000 1.004 340 D CA 0.356 54.418 54.000 0.104 0.000 0.880 340 D CB -0.619 40.259 40.800 0.131 0.000 0.911 340 D HN 0.111 nan 8.370 nan 0.000 0.528 341 Y N 1.841 122.111 120.300 -0.049 0.000 2.320 341 Y HA 0.311 4.864 4.550 0.006 0.000 0.324 341 Y C 1.189 176.996 175.900 -0.154 0.000 1.190 341 Y CA -2.301 55.732 58.100 -0.111 0.000 1.215 341 Y CB 1.289 39.664 38.460 -0.142 0.000 1.221 341 Y HN -0.124 nan 8.280 nan 0.000 0.486 342 S N 0.244 115.898 115.700 -0.076 0.000 2.603 342 S HA 0.223 4.695 4.470 0.003 0.000 0.268 342 S C 0.979 175.430 174.600 -0.247 0.000 1.317 342 S CA -0.733 57.377 58.200 -0.150 0.000 1.012 342 S CB 1.044 64.149 63.200 -0.158 0.000 0.926 342 S HN 0.414 nan 8.310 nan 0.000 0.539 343 V N 2.130 121.821 119.914 -0.372 0.000 2.343 343 V HA -0.140 3.982 4.120 0.003 0.000 0.247 343 V C 2.493 178.135 176.094 -0.753 0.000 1.051 343 V CA 1.829 63.740 62.300 -0.648 0.000 1.036 343 V CB -0.871 30.304 31.823 -1.081 0.000 0.654 343 V HN 0.815 nan 8.190 nan 0.000 0.451 344 V N -0.099 119.389 119.914 -0.710 0.000 2.490 344 V HA -0.211 3.911 4.120 0.003 0.000 0.250 344 V C 2.313 178.190 176.094 -0.361 0.000 1.061 344 V CA 2.314 64.295 62.300 -0.532 0.000 1.064 344 V CB -0.090 31.568 31.823 -0.275 0.000 0.670 344 V HN 0.553 nan 8.190 nan 0.000 0.461 345 L N -0.260 120.765 121.223 -0.330 0.000 2.056 345 L HA -0.089 4.253 4.340 0.003 0.000 0.207 345 L C 2.153 178.811 176.870 -0.353 0.000 1.078 345 L CA 2.052 56.696 54.840 -0.327 0.000 0.749 345 L CB -0.617 41.210 42.059 -0.386 0.000 0.901 345 L HN 0.303 nan 8.230 nan 0.000 0.433 346 L N -1.139 119.885 121.223 -0.333 0.000 2.083 346 L HA -0.229 4.113 4.340 0.003 0.000 0.209 346 L C 2.496 179.151 176.870 -0.359 0.000 1.083 346 L CA 1.218 55.844 54.840 -0.357 0.000 0.752 346 L CB -0.529 41.355 42.059 -0.292 0.000 0.899 346 L HN 0.317 nan 8.230 nan 0.000 0.433 347 L N -0.874 120.149 121.223 -0.333 0.000 2.093 347 L HA -0.182 4.160 4.340 0.003 0.000 0.208 347 L C 2.774 179.522 176.870 -0.203 0.000 1.085 347 L CA 1.148 55.841 54.840 -0.246 0.000 0.755 347 L CB -0.504 41.406 42.059 -0.248 0.000 0.904 347 L HN 0.200 nan 8.230 nan 0.000 0.435 348 R N 0.105 120.467 120.500 -0.229 0.000 2.105 348 R HA -0.142 4.200 4.340 0.003 0.000 0.239 348 R C 2.279 178.456 176.300 -0.204 0.000 1.135 348 R CA 1.206 57.196 56.100 -0.184 0.000 0.967 348 R CB -0.353 29.836 30.300 -0.185 0.000 0.861 348 R HN 0.334 nan 8.270 nan 0.000 0.442 349 L N -0.264 120.741 121.223 -0.363 0.000 2.056 349 L HA -0.084 4.258 4.340 0.003 0.000 0.207 349 L C 2.643 179.347 176.870 -0.278 0.000 1.078 349 L CA 1.085 55.576 54.840 -0.581 0.000 0.749 349 L CB -0.553 40.787 42.059 -1.199 0.000 0.901 349 L HN 0.232 nan 8.230 nan 0.000 0.433 350 A N 0.035 122.764 122.820 -0.151 0.000 1.930 350 A HA -0.212 4.110 4.320 0.003 0.000 0.217 350 A C 2.304 179.901 177.584 0.023 0.000 1.175 350 A CA 1.680 53.745 52.037 0.046 0.000 0.627 350 A CB -0.313 18.722 19.000 0.059 0.000 0.815 350 A HN 0.178 nan 8.150 nan 0.000 0.443 351 K N -0.119 120.270 120.400 -0.018 0.000 2.025 351 K HA -0.065 4.257 4.320 0.003 0.000 0.207 351 K C 1.974 178.584 176.600 0.016 0.000 1.049 351 K CA 2.245 58.530 56.287 -0.003 0.000 0.933 351 K CB -1.104 31.382 32.500 -0.023 0.000 0.714 351 K HN 0.382 nan 8.250 nan 0.000 0.438 352 T N 0.069 114.650 114.554 0.045 0.000 2.684 352 T HA -0.182 4.170 4.350 0.003 0.000 0.267 352 T C 1.473 176.252 174.700 0.131 0.000 1.036 352 T CA 1.713 63.879 62.100 0.109 0.000 1.148 352 T CB -0.601 68.397 68.868 0.216 0.000 0.863 352 T HN 0.305 nan 8.240 nan 0.000 0.436 353 Y N 1.756 122.062 120.300 0.010 0.000 2.274 353 Y HA -0.099 4.450 4.550 -0.000 0.000 0.290 353 Y C 2.448 178.202 175.900 -0.242 0.000 1.145 353 Y CA 1.477 59.480 58.100 -0.161 0.000 1.203 353 Y CB -0.208 37.936 38.460 -0.527 0.000 0.984 353 Y HN 0.337 nan 8.280 nan 0.000 0.533 354 E N -1.093 119.002 120.200 -0.174 0.000 2.046 354 E HA -0.155 4.197 4.350 0.003 0.000 0.190 354 E C 1.878 178.375 176.600 -0.171 0.000 0.982 354 E CA 1.688 57.965 56.400 -0.206 0.000 0.800 354 E CB -0.130 29.558 29.700 -0.019 0.000 0.756 354 E HN 0.422 nan 8.360 nan 0.000 0.449 355 T N 0.327 114.829 114.554 -0.087 0.000 2.720 355 T HA -0.141 4.211 4.350 0.003 0.000 0.268 355 T C 1.870 176.515 174.700 -0.092 0.000 1.037 355 T CA 1.786 63.852 62.100 -0.056 0.000 1.144 355 T CB -0.493 68.363 68.868 -0.020 0.000 0.864 355 T HN 0.235 nan 8.240 nan 0.000 0.444 356 T N 2.419 116.894 114.554 -0.132 0.000 2.708 356 T HA 0.055 4.407 4.350 0.003 0.000 0.266 356 T C 1.968 176.538 174.700 -0.216 0.000 1.037 356 T CA 0.838 62.855 62.100 -0.139 0.000 1.146 356 T CB -0.413 68.385 68.868 -0.117 0.000 0.865 356 T HN 0.251 nan 8.240 nan 0.000 0.435 357 L N 0.791 121.745 121.223 -0.447 0.000 2.141 357 L HA -0.062 4.280 4.340 0.003 0.000 0.209 357 L C 2.853 179.573 176.870 -0.251 0.000 1.094 357 L CA 1.113 55.631 54.840 -0.536 0.000 0.763 357 L CB -0.541 40.829 42.059 -1.149 0.000 0.908 357 L HN 0.236 nan 8.230 nan 0.000 0.437 358 E N 0.204 120.317 120.200 -0.145 0.000 2.077 358 E HA -0.158 4.194 4.350 0.003 0.000 0.193 358 E C 2.338 178.940 176.600 0.003 0.000 0.989 358 E CA 1.022 57.427 56.400 0.010 0.000 0.800 358 E CB 0.035 29.753 29.700 0.031 0.000 0.746 358 E HN 0.327 nan 8.360 nan 0.000 0.452 359 K N 0.213 120.600 120.400 -0.021 0.000 1.991 359 K HA -0.057 4.265 4.320 0.003 0.000 0.207 359 K C 2.448 179.053 176.600 0.008 0.000 1.045 359 K CA 1.146 57.431 56.287 -0.004 0.000 0.937 359 K CB -1.107 31.388 32.500 -0.008 0.000 0.720 359 K HN 0.308 nan 8.250 nan 0.000 0.438 360 c N 0.285 118.891 118.600 0.010 0.000 2.413 360 c HA -0.113 4.459 4.570 0.003 0.000 0.277 360 c C 2.802 176.936 174.090 0.074 0.000 1.265 360 c CA 0.516 56.878 56.329 0.054 0.000 1.752 360 c CB -1.241 41.351 42.510 0.135 0.000 1.998 360 c HN 0.646 nan 8.230 nan 0.000 0.489 361 c N 0.748 119.382 118.600 0.057 0.000 2.491 361 c HA 0.220 4.792 4.570 0.003 0.000 0.277 361 c C 2.143 176.265 174.090 0.054 0.000 1.455 361 c CA 0.719 57.091 56.329 0.072 0.000 1.758 361 c CB -1.817 40.740 42.510 0.077 0.000 1.745 361 c HN 0.685 nan 8.230 nan 0.000 0.558 362 A N -0.258 122.586 122.820 0.039 0.000 2.713 362 A HA 0.719 5.041 4.320 0.003 0.000 0.296 362 A C 0.517 178.113 177.584 0.020 0.000 1.255 362 A CA 0.299 52.353 52.037 0.028 0.000 0.955 362 A CB -0.222 18.793 19.000 0.025 0.000 1.149 362 A HN 0.441 nan 8.150 nan 0.000 0.538 363 A N -1.379 121.454 122.820 0.021 0.000 2.384 363 A HA 0.772 5.094 4.320 0.003 0.000 0.312 363 A C 1.260 178.848 177.584 0.007 0.000 1.113 363 A CA 0.056 52.099 52.037 0.010 0.000 0.779 363 A CB 0.596 19.599 19.000 0.005 0.000 1.307 363 A HN 1.137 nan 8.150 nan 0.000 0.436 364 A N 0.442 123.262 122.820 -0.001 0.000 1.859 364 A HA -0.121 4.201 4.320 0.003 0.000 0.218 364 A C 0.872 178.452 177.584 -0.006 0.000 1.209 364 A CA 2.498 54.533 52.037 -0.004 0.000 0.639 364 A CB -0.561 18.434 19.000 -0.009 0.000 0.835 364 A HN 0.813 nan 8.150 nan 0.000 0.450 365 D N -1.685 118.704 120.400 -0.018 0.000 2.479 365 D HA 0.442 5.084 4.640 0.003 0.000 0.247 365 D C -1.910 174.357 176.300 -0.055 0.000 1.119 365 D CA -2.150 51.833 54.000 -0.028 0.000 0.922 365 D CB 1.027 41.803 40.800 -0.040 0.000 1.014 365 D HN -0.007 nan 8.370 nan 0.000 0.510 366 P HA -0.246 nan 4.420 nan 0.000 0.213 366 P C 1.352 178.385 177.300 -0.445 0.000 1.176 366 P CA 1.072 64.139 63.100 -0.055 0.000 0.919 366 P CB 0.011 31.783 31.700 0.120 0.000 0.791 367 H N -0.659 118.086 119.070 -0.542 0.000 2.472 367 H HA -0.199 4.359 4.556 0.004 0.000 0.296 367 H C 1.745 176.666 175.328 -0.677 0.000 1.120 367 H CA 1.883 57.446 56.048 -0.809 0.000 1.250 367 H CB -0.120 29.471 29.762 -0.284 0.000 1.366 367 H HN 0.092 nan 8.280 nan 0.000 0.524 368 E N -0.712 119.343 120.200 -0.243 0.000 2.190 368 E HA -0.043 4.309 4.350 0.003 0.000 0.191 368 E C 2.553 179.048 176.600 -0.176 0.000 0.978 368 E CA 0.584 56.894 56.400 -0.151 0.000 0.839 368 E CB -0.571 29.078 29.700 -0.085 0.000 0.787 368 E HN 0.380 nan 8.360 nan 0.000 0.473 369 c N 0.514 118.992 118.600 -0.203 0.000 2.440 369 c HA -0.105 4.467 4.570 0.003 0.000 0.278 369 c C 2.244 176.304 174.090 -0.052 0.000 1.295 369 c CA 1.183 57.450 56.329 -0.103 0.000 1.738 369 c CB -1.033 41.445 42.510 -0.053 0.000 1.987 369 c HN 0.623 nan 8.230 nan 0.000 0.492 370 Y N 0.183 120.458 120.300 -0.041 0.000 2.458 370 Y HA 0.615 5.165 4.550 0.000 0.000 0.256 370 Y C 1.833 177.708 175.900 -0.041 0.000 1.159 370 Y CA -0.016 58.051 58.100 -0.054 0.000 1.261 370 Y CB -1.460 36.946 38.460 -0.089 0.000 1.119 370 Y HN 0.140 nan 8.280 nan 0.000 0.524 371 A N 1.698 124.485 122.820 -0.055 0.000 1.997 371 A HA -0.148 4.174 4.320 0.003 0.000 0.221 371 A C 2.066 179.674 177.584 0.040 0.000 1.172 371 A CA 2.350 54.383 52.037 -0.008 0.000 0.645 371 A CB -0.936 18.039 19.000 -0.042 0.000 0.813 371 A HN 0.507 nan 8.150 nan 0.000 0.454 372 K N -0.508 119.915 120.400 0.039 0.000 2.576 372 K HA 0.595 4.917 4.320 0.003 0.000 0.209 372 K C 1.262 177.880 176.600 0.031 0.000 1.049 372 K CA 0.508 56.815 56.287 0.032 0.000 1.140 372 K CB -0.931 31.580 32.500 0.018 0.000 0.871 372 K HN 0.406 nan 8.250 nan 0.000 0.479 373 V N -0.162 119.788 119.914 0.060 0.000 2.392 373 V HA -0.162 3.960 4.120 0.003 0.000 0.249 373 V C 1.808 177.723 176.094 -0.299 0.000 1.059 373 V CA 1.910 64.185 62.300 -0.041 0.000 1.051 373 V CB -0.705 31.169 31.823 0.084 0.000 0.658 373 V HN 0.665 nan 8.190 nan 0.000 0.455 374 F N 0.661 120.338 119.950 -0.455 0.000 2.449 374 F HA -0.084 4.444 4.527 0.002 0.000 0.299 374 F C 2.115 177.777 175.800 -0.230 0.000 1.092 374 F CA 1.250 58.962 58.000 -0.481 0.000 1.446 374 F CB -0.685 38.285 39.000 -0.049 0.000 1.084 374 F HN 0.338 nan 8.300 nan 0.000 0.567 375 D N -0.665 119.737 120.400 0.004 0.000 2.323 375 D HA -0.079 4.563 4.640 0.003 0.000 0.209 375 D C 2.055 178.356 176.300 0.002 0.000 0.973 375 D CA 0.491 54.511 54.000 0.033 0.000 0.874 375 D CB 0.015 40.835 40.800 0.034 0.000 0.930 375 D HN 0.231 nan 8.370 nan 0.000 0.521 376 E N -0.149 119.998 120.200 -0.089 0.000 2.152 376 E HA -0.081 4.271 4.350 0.003 0.000 0.192 376 E C 1.571 178.240 176.600 0.115 0.000 0.983 376 E CA 0.555 56.939 56.400 -0.027 0.000 0.818 376 E CB -0.098 29.554 29.700 -0.080 0.000 0.758 376 E HN 0.119 nan 8.360 nan 0.000 0.467 377 F N 1.196 121.144 119.950 -0.004 0.000 2.146 377 F HA -0.057 4.468 4.527 -0.003 0.000 0.298 377 F C 2.138 177.905 175.800 -0.055 0.000 1.096 377 F CA 0.964 58.920 58.000 -0.073 0.000 1.275 377 F CB -1.017 37.901 39.000 -0.136 0.000 1.008 377 F HN 0.058 nan 8.300 nan 0.000 0.480 378 K N 0.967 121.476 120.400 0.181 0.000 2.032 378 K HA -0.217 4.105 4.320 0.003 0.000 0.218 378 K C -0.612 176.014 176.600 0.043 0.000 1.054 378 K CA 2.343 58.690 56.287 0.099 0.000 0.941 378 K CB -1.430 31.120 32.500 0.085 0.000 0.720 378 K HN 0.143 nan 8.250 nan 0.000 0.449 379 P HA -0.142 nan 4.420 nan 0.000 0.220 379 P C 1.450 178.738 177.300 -0.019 0.000 1.148 379 P CA 0.946 64.052 63.100 0.009 0.000 0.803 379 P CB 0.044 31.753 31.700 0.016 0.000 0.782 380 L N -0.375 120.837 121.223 -0.018 0.000 2.027 380 L HA -0.103 4.239 4.340 0.003 0.000 0.206 380 L C 2.816 179.594 176.870 -0.153 0.000 1.074 380 L CA 1.521 56.315 54.840 -0.077 0.000 0.745 380 L CB -1.565 40.447 42.059 -0.077 0.000 0.898 380 L HN -0.177 nan 8.230 nan 0.000 0.433 381 V N -0.770 119.042 119.914 -0.169 0.000 2.358 381 V HA -0.260 3.862 4.120 0.003 0.000 0.246 381 V C 2.409 178.381 176.094 -0.203 0.000 1.047 381 V CA 1.554 63.684 62.300 -0.283 0.000 1.035 381 V CB -0.461 31.228 31.823 -0.223 0.000 0.658 381 V HN 0.471 nan 8.190 nan 0.000 0.452 382 E N -0.442 119.697 120.200 -0.102 0.000 2.110 382 E HA -0.230 4.122 4.350 0.003 0.000 0.193 382 E C 2.295 178.858 176.600 -0.061 0.000 0.988 382 E CA 1.018 57.380 56.400 -0.063 0.000 0.804 382 E CB -0.118 29.567 29.700 -0.024 0.000 0.745 382 E HN 0.566 nan 8.360 nan 0.000 0.458 383 E N 0.818 120.980 120.200 -0.065 0.000 2.021 383 E HA -0.177 4.175 4.350 0.003 0.000 0.200 383 E C -0.639 175.928 176.600 -0.055 0.000 1.015 383 E CA 1.796 58.167 56.400 -0.049 0.000 0.824 383 E CB -0.968 28.703 29.700 -0.048 0.000 0.762 383 E HN 0.167 nan 8.360 nan 0.000 0.454 384 P HA -0.175 nan 4.420 nan 0.000 0.215 384 P C 1.493 178.751 177.300 -0.069 0.000 1.153 384 P CA 1.654 64.704 63.100 -0.083 0.000 0.853 384 P CB -0.259 31.359 31.700 -0.137 0.000 0.788 385 Q N -0.499 119.248 119.800 -0.089 0.000 2.061 385 Q HA -0.167 4.175 4.340 0.003 0.000 0.204 385 Q C 2.280 178.266 176.000 -0.024 0.000 0.984 385 Q CA 1.426 57.195 55.803 -0.058 0.000 0.846 385 Q CB -0.559 28.143 28.738 -0.060 0.000 0.902 385 Q HN 0.316 nan 8.270 nan 0.000 0.421 386 N N 0.577 119.265 118.700 -0.020 0.000 2.166 386 N HA -0.116 4.626 4.740 0.003 0.000 0.186 386 N C 1.843 177.358 175.510 0.009 0.000 1.019 386 N CA 0.918 53.967 53.050 -0.002 0.000 0.856 386 N CB -0.207 38.279 38.487 -0.001 0.000 0.993 386 N HN 0.228 nan 8.380 nan 0.000 0.426 387 L N 0.775 122.003 121.223 0.008 0.000 2.046 387 L HA -0.131 4.211 4.340 0.003 0.000 0.208 387 L C 2.085 178.976 176.870 0.035 0.000 1.077 387 L CA 0.737 55.594 54.840 0.028 0.000 0.747 387 L CB -0.295 41.782 42.059 0.031 0.000 0.896 387 L HN 0.123 nan 8.230 nan 0.000 0.432 388 I N 0.622 121.202 120.570 0.017 0.000 2.179 388 I HA -0.308 3.864 4.170 0.003 0.000 0.242 388 I C 3.097 179.224 176.117 0.016 0.000 1.088 388 I CA 1.967 63.276 61.300 0.015 0.000 1.357 388 I CB -1.496 36.504 38.000 -0.000 0.000 1.051 388 I HN 0.219 nan 8.210 nan 0.000 0.409 389 K N 0.918 121.327 120.400 0.015 0.000 1.978 389 K HA -0.241 4.081 4.320 0.003 0.000 0.214 389 K C 2.077 178.693 176.600 0.027 0.000 1.049 389 K CA 1.945 58.242 56.287 0.018 0.000 0.939 389 K CB -1.438 nan 32.500 nan 0.000 0.721 389 K HN 0.552 nan 8.250 nan 0.000 0.441 390 Q N 0.363 120.184 119.800 0.034 0.000 2.062 390 Q HA -0.260 4.082 4.340 0.003 0.000 0.209 390 Q C 2.038 178.083 176.000 0.074 0.000 0.996 390 Q CA 2.224 58.056 55.803 0.048 0.000 0.859 390 Q CB -0.241 28.525 28.738 0.047 0.000 0.920 390 Q HN 0.673 nan 8.270 nan 0.000 0.415 391 N N -0.249 118.506 118.700 0.090 0.000 2.188 391 N HA -0.109 4.633 4.740 0.003 0.000 0.184 391 N C 1.844 177.379 175.510 0.043 0.000 1.018 391 N CA 1.319 54.459 53.050 0.151 0.000 0.858 391 N CB -0.261 38.344 38.487 0.198 0.000 0.989 391 N HN 0.352 nan 8.380 nan 0.000 0.426 392 c N 1.234 119.832 118.600 -0.003 0.000 2.450 392 c HA 0.027 4.599 4.570 0.003 0.000 0.279 392 c C 2.484 176.585 174.090 0.017 0.000 1.335 392 c CA 0.154 56.458 56.329 -0.042 0.000 1.749 392 c CB -0.659 41.830 42.510 -0.035 0.000 1.963 392 c HN 0.479 nan 8.230 nan 0.000 0.501 393 E N 0.512 120.727 120.200 0.025 0.000 2.051 393 E HA -0.235 4.117 4.350 0.003 0.000 0.192 393 E C 1.999 178.613 176.600 0.024 0.000 0.991 393 E CA 1.035 57.450 56.400 0.026 0.000 0.799 393 E CB -0.367 29.349 29.700 0.027 0.000 0.748 393 E HN 0.435 nan 8.360 nan 0.000 0.449 394 L N 0.749 122.002 121.223 0.051 0.000 2.079 394 L HA -0.161 4.181 4.340 0.003 0.000 0.210 394 L C 2.051 178.939 176.870 0.029 0.000 1.081 394 L CA 1.530 56.422 54.840 0.086 0.000 0.752 394 L CB -0.557 41.623 42.059 0.203 0.000 0.896 394 L HN 0.091 nan 8.230 nan 0.000 0.433 395 F N 0.492 120.241 119.950 -0.336 0.000 2.325 395 F HA -0.005 4.524 4.527 0.003 0.000 0.299 395 F C 2.243 177.888 175.800 -0.257 0.000 1.090 395 F CA 1.506 59.150 58.000 -0.594 0.000 1.392 395 F CB -0.443 37.915 39.000 -1.070 0.000 1.053 395 F HN 0.215 nan 8.300 nan 0.000 0.521 396 E N 0.800 120.932 120.200 -0.113 0.000 2.047 396 E HA -0.205 4.147 4.350 0.003 0.000 0.191 396 E C 1.882 178.379 176.600 -0.172 0.000 0.987 396 E CA 1.608 57.932 56.400 -0.126 0.000 0.799 396 E CB -0.871 28.819 29.700 -0.016 0.000 0.752 396 E HN 0.744 nan 8.360 nan 0.000 0.449 397 Q N -0.298 119.436 119.800 -0.109 0.000 1.917 397 Q HA 0.097 4.439 4.340 0.003 0.000 0.205 397 Q C 1.419 177.352 176.000 -0.111 0.000 0.988 397 Q CA 0.841 56.597 55.803 -0.079 0.000 0.851 397 Q CB -0.487 28.233 28.738 -0.031 0.000 0.916 397 Q HN 0.500 nan 8.270 nan 0.000 0.424 398 L N 0.255 121.420 121.223 -0.096 0.000 2.468 398 L HA 0.203 4.545 4.340 0.003 0.000 0.253 398 L C 0.871 177.601 176.870 -0.233 0.000 1.237 398 L CA -0.311 54.479 54.840 -0.082 0.000 0.823 398 L CB -0.145 41.927 42.059 0.023 0.000 1.124 398 L HN 0.219 nan 8.230 nan 0.000 0.504 399 G N -1.039 107.665 108.800 -0.161 0.000 2.642 399 G HA2 0.189 4.151 3.960 0.003 0.000 0.291 399 G HA3 0.189 4.151 3.960 0.003 0.000 0.291 399 G C 0.447 175.240 174.900 -0.178 0.000 1.345 399 G CA -0.313 44.629 45.100 -0.263 0.000 1.043 399 G HN 0.790 nan 8.290 nan 0.000 0.528 400 E N -1.449 118.719 120.200 -0.053 0.000 2.085 400 E HA -0.246 4.106 4.350 0.003 0.000 0.194 400 E C 1.846 178.624 176.600 0.297 0.000 0.994 400 E CA 1.369 57.943 56.400 0.289 0.000 0.801 400 E CB -0.232 29.659 29.700 0.318 0.000 0.743 400 E HN 0.519 nan 8.360 nan 0.000 0.453 401 Y N 1.292 121.658 120.300 0.110 0.000 2.163 401 Y HA -0.121 4.431 4.550 0.004 0.000 0.288 401 Y C 1.853 177.806 175.900 0.088 0.000 1.136 401 Y CA 1.839 59.993 58.100 0.090 0.000 1.147 401 Y CB 0.012 38.504 38.460 0.054 0.000 0.987 401 Y HN -0.119 nan 8.280 nan 0.000 0.509 402 K N -0.970 119.388 120.400 -0.069 0.000 2.365 402 K HA -0.111 4.211 4.320 0.003 0.000 0.199 402 K C 1.832 178.407 176.600 -0.042 0.000 1.045 402 K CA 0.966 57.164 56.287 -0.148 0.000 0.962 402 K CB -0.324 32.179 32.500 0.004 0.000 0.759 402 K HN 0.332 nan 8.250 nan 0.000 0.469 403 F N 2.348 122.250 119.950 -0.080 0.000 2.234 403 F HA -0.089 4.439 4.527 0.002 0.000 0.296 403 F C 1.962 177.752 175.800 -0.017 0.000 1.089 403 F CA 1.302 59.303 58.000 0.000 0.000 1.343 403 F CB -0.039 39.057 39.000 0.159 0.000 1.040 403 F HN -0.050 nan 8.300 nan 0.000 0.498 404 Q N 0.044 119.776 119.800 -0.114 0.000 2.170 404 Q HA -0.184 4.158 4.340 0.003 0.000 0.203 404 Q C 1.733 177.576 176.000 -0.261 0.000 0.976 404 Q CA 1.454 57.133 55.803 -0.206 0.000 0.858 404 Q CB -0.292 28.403 28.738 -0.071 0.000 0.907 404 Q HN 0.414 nan 8.270 nan 0.000 0.433 405 N N 0.594 119.113 118.700 -0.303 0.000 2.216 405 N HA -0.076 4.666 4.740 0.003 0.000 0.183 405 N C 1.603 176.984 175.510 -0.215 0.000 1.017 405 N CA 1.193 54.085 53.050 -0.263 0.000 0.861 405 N CB -0.301 37.999 38.487 -0.311 0.000 0.986 405 N HN 0.214 nan 8.380 nan 0.000 0.428 406 A N 1.423 124.106 122.820 -0.229 0.000 1.902 406 A HA -0.051 4.271 4.320 0.003 0.000 0.217 406 A C 2.330 179.725 177.584 -0.315 0.000 1.181 406 A CA 0.927 52.834 52.037 -0.217 0.000 0.623 406 A CB -0.747 18.156 19.000 -0.162 0.000 0.818 406 A HN 0.199 nan 8.150 nan 0.000 0.443 407 L N -1.235 119.730 121.223 -0.431 0.000 2.083 407 L HA -0.163 4.179 4.340 0.003 0.000 0.209 407 L C 2.524 179.193 176.870 -0.335 0.000 1.083 407 L CA 0.705 55.245 54.840 -0.500 0.000 0.752 407 L CB -0.545 41.286 42.059 -0.381 0.000 0.899 407 L HN 0.331 nan 8.230 nan 0.000 0.433 408 L N -0.421 120.695 121.223 -0.180 0.000 2.012 408 L HA -0.199 4.143 4.340 0.003 0.000 0.210 408 L C 2.451 179.266 176.870 -0.091 0.000 1.073 408 L CA 1.648 56.442 54.840 -0.077 0.000 0.748 408 L CB -0.582 41.430 42.059 -0.078 0.000 0.891 408 L HN -0.053 nan 8.230 nan 0.000 0.431 409 V N -0.723 119.112 119.914 -0.132 0.000 2.295 409 V HA -0.307 3.815 4.120 0.003 0.000 0.246 409 V C 2.720 178.730 176.094 -0.141 0.000 1.049 409 V CA 1.970 64.205 62.300 -0.108 0.000 1.024 409 V CB -0.600 31.161 31.823 -0.103 0.000 0.648 409 V HN 0.435 nan 8.190 nan 0.000 0.447 410 R N -1.195 119.150 120.500 -0.257 0.000 2.083 410 R HA -0.191 4.151 4.340 0.003 0.000 0.237 410 R C 2.330 178.465 176.300 -0.275 0.000 1.137 410 R CA 2.123 58.019 56.100 -0.340 0.000 0.951 410 R CB -0.265 29.687 30.300 -0.580 0.000 0.851 410 R HN 0.572 nan 8.270 nan 0.000 0.434 411 Y N -0.728 119.534 120.300 -0.064 0.000 2.365 411 Y HA 0.013 4.564 4.550 0.001 0.000 0.293 411 Y C 2.434 178.300 175.900 -0.057 0.000 1.119 411 Y CA 0.904 58.972 58.100 -0.053 0.000 1.203 411 Y CB -0.591 37.831 38.460 -0.065 0.000 1.026 411 Y HN 0.017 nan 8.280 nan 0.000 0.549 412 T N 0.108 114.697 114.554 0.059 0.000 2.788 412 T HA -0.159 4.193 4.350 0.003 0.000 0.268 412 T C 1.837 176.504 174.700 -0.054 0.000 1.044 412 T CA 1.428 63.524 62.100 -0.006 0.000 1.139 412 T CB -0.129 68.728 68.868 -0.018 0.000 0.867 412 T HN 0.283 nan 8.240 nan 0.000 0.454 413 K N 0.712 121.088 120.400 -0.040 0.000 2.148 413 K HA -0.004 4.318 4.320 0.003 0.000 0.204 413 K C 2.339 178.922 176.600 -0.028 0.000 1.050 413 K CA 0.917 57.178 56.287 -0.043 0.000 0.942 413 K CB 0.004 32.484 32.500 -0.032 0.000 0.724 413 K HN 0.273 nan 8.250 nan 0.000 0.446 414 K N 0.217 120.624 120.400 0.012 0.000 2.116 414 K HA 0.004 4.326 4.320 0.003 0.000 0.203 414 K C 0.335 176.948 176.600 0.022 0.000 1.052 414 K CA 0.754 57.067 56.287 0.043 0.000 0.952 414 K CB 0.581 33.153 32.500 0.120 0.000 0.729 414 K HN -0.121 nan 8.250 nan 0.000 0.446 415 V N 2.156 122.072 119.914 0.004 0.000 2.462 415 V HA 0.134 4.256 4.120 0.003 0.000 0.257 415 V C -2.384 173.651 176.094 -0.098 0.000 0.944 415 V CA -0.983 61.304 62.300 -0.021 0.000 0.903 415 V CB 1.199 33.036 31.823 0.023 0.000 1.128 415 V HN -0.011 nan 8.190 nan 0.000 0.486 416 P HA -0.118 nan 4.420 nan 0.000 0.223 416 P C 1.313 178.410 177.300 -0.338 0.000 1.144 416 P CA 1.025 63.802 63.100 -0.539 0.000 0.783 416 P CB 0.326 31.169 31.700 -1.428 0.000 0.771 417 Q N -1.064 118.665 119.800 -0.120 0.000 2.245 417 Q HA 0.004 4.346 4.340 0.003 0.000 0.201 417 Q C 0.683 176.711 176.000 0.046 0.000 0.955 417 Q CA 0.433 56.256 55.803 0.034 0.000 0.870 417 Q CB -1.045 27.746 28.738 0.089 0.000 0.945 417 Q HN 0.095 nan 8.270 nan 0.000 0.461 418 V N 2.328 122.262 119.914 0.034 0.000 2.788 418 V HA -0.030 4.092 4.120 0.003 0.000 0.307 418 V C 0.596 176.711 176.094 0.033 0.000 1.069 418 V CA -0.019 62.313 62.300 0.054 0.000 1.173 418 V CB 0.629 32.479 31.823 0.045 0.000 0.925 418 V HN 0.405 nan 8.190 nan 0.000 0.492 419 S N 3.207 118.930 115.700 0.039 0.000 2.568 419 S HA 0.012 4.484 4.470 0.003 0.000 0.282 419 S C 1.245 175.855 174.600 0.017 0.000 1.338 419 S CA 0.158 58.373 58.200 0.026 0.000 1.045 419 S CB 0.883 64.096 63.200 0.022 0.000 0.873 419 S HN 0.785 nan 8.310 nan 0.000 0.516 420 T N 3.664 118.225 114.554 0.011 0.000 2.684 420 T HA -0.044 4.308 4.350 0.003 0.000 0.267 420 T C -0.616 174.089 174.700 0.009 0.000 1.036 420 T CA 1.749 63.853 62.100 0.007 0.000 1.148 420 T CB -1.345 67.521 68.868 -0.003 0.000 0.863 420 T HN 0.732 nan 8.240 nan 0.000 0.436 421 P HA -0.059 nan 4.420 nan 0.000 0.217 421 P C 1.391 178.699 177.300 0.013 0.000 1.150 421 P CA 1.251 64.358 63.100 0.012 0.000 0.832 421 P CB -0.304 31.401 31.700 0.010 0.000 0.787 422 T N 0.895 115.457 114.554 0.013 0.000 2.708 422 T HA -0.067 4.285 4.350 0.003 0.000 0.266 422 T C 2.037 176.738 174.700 0.001 0.000 1.037 422 T CA 0.999 63.105 62.100 0.011 0.000 1.146 422 T CB -0.844 68.037 68.868 0.022 0.000 0.865 422 T HN 0.052 nan 8.240 nan 0.000 0.435 423 L N 0.752 121.979 121.223 0.006 0.000 2.083 423 L HA -0.098 4.244 4.340 0.003 0.000 0.209 423 L C 2.635 179.511 176.870 0.010 0.000 1.083 423 L CA 0.858 55.701 54.840 0.006 0.000 0.752 423 L CB -0.556 41.513 42.059 0.016 0.000 0.899 423 L HN 0.158 nan 8.230 nan 0.000 0.433 424 V N -0.293 119.630 119.914 0.014 0.000 2.307 424 V HA -0.300 3.822 4.120 0.003 0.000 0.245 424 V C 2.426 178.531 176.094 0.018 0.000 1.045 424 V CA 2.027 64.339 62.300 0.020 0.000 1.024 424 V CB -0.414 31.426 31.823 0.028 0.000 0.651 424 V HN 0.502 nan 8.190 nan 0.000 0.449 425 E N 0.060 120.268 120.200 0.013 0.000 2.031 425 E HA -0.192 4.160 4.350 0.003 0.000 0.193 425 E C 2.247 178.844 176.600 -0.005 0.000 0.994 425 E CA 1.733 58.140 56.400 0.011 0.000 0.800 425 E CB -0.065 29.641 29.700 0.010 0.000 0.752 425 E HN 0.359 nan 8.360 nan 0.000 0.447 426 V N 0.746 120.643 119.914 -0.029 0.000 2.287 426 V HA -0.270 3.852 4.120 0.003 0.000 0.248 426 V C 2.416 178.474 176.094 -0.059 0.000 1.053 426 V CA 2.047 64.305 62.300 -0.071 0.000 1.027 426 V CB -0.487 31.258 31.823 -0.130 0.000 0.646 426 V HN 0.277 nan 8.190 nan 0.000 0.447 427 S N -0.563 115.125 115.700 -0.020 0.000 2.368 427 S HA -0.184 4.288 4.470 0.003 0.000 0.225 427 S C 2.052 176.656 174.600 0.006 0.000 1.030 427 S CA 1.403 59.615 58.200 0.020 0.000 0.999 427 S CB -0.315 62.911 63.200 0.043 0.000 0.844 427 S HN 0.542 nan 8.310 nan 0.000 0.459 428 R N 1.429 121.938 120.500 0.015 0.000 2.081 428 R HA -0.004 4.338 4.340 0.003 0.000 0.235 428 R C 1.946 178.269 176.300 0.039 0.000 1.131 428 R CA 1.363 57.486 56.100 0.038 0.000 0.960 428 R CB -0.439 29.891 30.300 0.050 0.000 0.856 428 R HN 0.344 nan 8.270 nan 0.000 0.436 429 N N 0.685 119.394 118.700 0.016 0.000 2.142 429 N HA -0.122 4.620 4.740 0.003 0.000 0.186 429 N C 1.683 177.196 175.510 0.004 0.000 1.023 429 N CA 0.921 53.974 53.050 0.005 0.000 0.852 429 N CB -0.229 38.253 38.487 -0.007 0.000 0.998 429 N HN 0.042 nan 8.380 nan 0.000 0.424 430 L N 0.981 122.205 121.223 0.003 0.000 2.079 430 L HA -0.033 4.309 4.340 0.003 0.000 0.210 430 L C 2.329 179.261 176.870 0.103 0.000 1.081 430 L CA 1.437 56.294 54.840 0.029 0.000 0.752 430 L CB -1.562 40.512 42.059 0.025 0.000 0.896 430 L HN 0.175 nan 8.230 nan 0.000 0.433 431 G N -0.965 107.901 108.800 0.110 0.000 2.440 431 G HA2 -0.259 3.703 3.960 0.003 0.000 0.218 431 G HA3 -0.259 3.703 3.960 0.003 0.000 0.218 431 G C 1.739 176.770 174.900 0.218 0.000 1.154 431 G CA 0.545 45.805 45.100 0.268 0.000 0.767 431 G HN 0.352 nan 8.290 nan 0.000 0.552 432 K N 0.060 120.510 120.400 0.083 0.000 2.097 432 K HA 0.017 4.339 4.320 0.003 0.000 0.205 432 K C 2.543 179.062 176.600 -0.134 0.000 1.050 432 K CA 0.841 57.123 56.287 -0.010 0.000 0.938 432 K CB -0.267 32.211 32.500 -0.036 0.000 0.718 432 K HN 0.234 nan 8.250 nan 0.000 0.442 433 V N 1.133 120.974 119.914 -0.122 0.000 2.392 433 V HA -0.209 3.913 4.120 0.003 0.000 0.249 433 V C 2.396 178.378 176.094 -0.186 0.000 1.059 433 V CA 2.205 64.398 62.300 -0.178 0.000 1.051 433 V CB -0.965 30.834 31.823 -0.040 0.000 0.658 433 V HN 0.484 nan 8.190 nan 0.000 0.455 434 G N -0.078 108.615 108.800 -0.179 0.000 2.402 434 G HA2 -0.246 3.716 3.960 0.003 0.000 0.216 434 G HA3 -0.246 3.716 3.960 0.003 0.000 0.216 434 G C 1.800 176.069 174.900 -1.052 0.000 1.162 434 G CA 1.189 45.978 45.100 -0.517 0.000 0.777 434 G HN 0.656 nan 8.290 nan 0.000 0.539 435 S N -0.226 115.001 115.700 -0.788 0.000 2.522 435 S HA 0.094 4.566 4.470 0.003 0.000 0.227 435 S C 1.914 176.353 174.600 -0.268 0.000 0.986 435 S CA 1.476 59.348 58.200 -0.548 0.000 0.929 435 S CB 0.098 63.350 63.200 0.086 0.000 0.769 435 S HN 0.288 nan 8.310 nan 0.000 0.529 436 K N 0.247 120.488 120.400 -0.266 0.000 2.335 436 K HA 0.388 4.710 4.320 0.003 0.000 0.195 436 K C 1.485 178.053 176.600 -0.052 0.000 1.058 436 K CA 0.864 57.051 56.287 -0.167 0.000 0.988 436 K CB -0.560 31.774 32.500 -0.276 0.000 0.880 436 K HN 0.430 nan 8.250 nan 0.000 0.513 437 c N -0.661 117.901 118.600 -0.064 0.000 2.609 437 c HA 0.225 4.797 4.570 0.003 0.000 0.305 437 c C 2.138 176.250 174.090 0.036 0.000 1.319 437 c CA -0.230 56.175 56.329 0.126 0.000 1.793 437 c CB -0.546 42.026 42.510 0.104 0.000 2.260 437 c HN 0.571 nan 8.230 nan 0.000 0.535 438 c N 1.553 120.056 118.600 -0.161 0.000 2.466 438 c HA 0.010 4.582 4.570 0.003 0.000 0.283 438 c C 2.900 176.947 174.090 -0.072 0.000 1.472 438 c CA 1.582 57.828 56.329 -0.138 0.000 1.765 438 c CB -1.681 40.663 42.510 -0.278 0.000 1.724 438 c HN 0.755 nan 8.230 nan 0.000 0.560 439 K N -0.114 120.213 120.400 -0.123 0.000 2.228 439 K HA -0.032 4.290 4.320 0.003 0.000 0.202 439 K C 0.828 177.323 176.600 -0.175 0.000 1.051 439 K CA 0.811 57.005 56.287 -0.154 0.000 0.960 439 K CB -0.565 31.794 32.500 -0.235 0.000 0.743 439 K HN 0.707 nan 8.250 nan 0.000 0.458 440 H N 0.402 119.468 119.070 -0.007 0.000 2.607 440 H HA 0.226 4.784 4.556 0.003 0.000 0.367 440 H C -2.285 173.043 175.328 0.000 0.000 1.181 440 H CA -2.136 53.913 56.048 0.001 0.000 1.402 440 H CB 0.959 30.725 29.762 0.006 0.000 1.474 440 H HN 0.127 nan 8.280 nan 0.000 0.596 441 P HA 0.014 nan 4.420 nan 0.000 0.274 441 P C 0.995 178.337 177.300 0.069 0.000 1.237 441 P CA -0.224 62.921 63.100 0.075 0.000 0.793 441 P CB 0.918 32.653 31.700 0.057 0.000 0.977 442 E N 2.203 122.431 120.200 0.046 0.000 2.136 442 E HA -0.341 4.011 4.350 0.003 0.000 0.208 442 E C 1.537 178.159 176.600 0.037 0.000 1.035 442 E CA 1.979 58.402 56.400 0.038 0.000 0.838 442 E CB -0.543 29.176 29.700 0.032 0.000 0.748 442 E HN 0.487 nan 8.360 nan 0.000 0.459 443 A N -0.263 122.577 122.820 0.034 0.000 2.234 443 A HA -0.121 4.201 4.320 0.003 0.000 0.216 443 A C 1.999 179.588 177.584 0.008 0.000 1.167 443 A CA 2.114 54.167 52.037 0.027 0.000 0.698 443 A CB -0.617 18.390 19.000 0.013 0.000 0.779 443 A HN 0.349 nan 8.150 nan 0.000 0.475 444 K N -0.635 119.766 120.400 0.002 0.000 2.477 444 K HA 0.306 4.628 4.320 0.003 0.000 0.208 444 K C 1.573 178.130 176.600 -0.072 0.000 1.117 444 K CA 0.315 56.566 56.287 -0.061 0.000 1.039 444 K CB -0.235 32.200 32.500 -0.109 0.000 0.937 444 K HN 0.536 nan 8.250 nan 0.000 0.570 445 R N -0.320 120.180 120.500 -0.001 0.000 2.066 445 R HA 0.126 4.468 4.340 0.003 0.000 0.232 445 R C 2.380 178.676 176.300 -0.008 0.000 1.131 445 R CA 1.684 57.793 56.100 0.016 0.000 0.955 445 R CB -0.276 30.043 30.300 0.030 0.000 0.851 445 R HN 0.415 nan 8.270 nan 0.000 0.432 446 M N 0.652 120.241 119.600 -0.018 0.000 2.080 446 M HA -0.099 4.383 4.480 0.003 0.000 0.260 446 M C -0.889 175.383 176.300 -0.047 0.000 1.068 446 M CA 1.895 57.174 55.300 -0.035 0.000 1.109 446 M CB -0.667 31.900 32.600 -0.055 0.000 1.342 446 M HN -0.054 nan 8.290 nan 0.000 0.405 447 P HA -0.128 nan 4.420 nan 0.000 0.217 447 P C 1.617 178.865 177.300 -0.086 0.000 1.150 447 P CA 1.093 64.143 63.100 -0.082 0.000 0.832 447 P CB -0.274 31.367 31.700 -0.099 0.000 0.787 448 c N -0.172 118.379 118.600 -0.081 0.000 2.436 448 c HA -0.045 4.527 4.570 0.003 0.000 0.277 448 c C 2.834 176.976 174.090 0.086 0.000 1.241 448 c CA 1.566 57.877 56.329 -0.028 0.000 1.721 448 c CB -1.641 40.874 42.510 0.007 0.000 2.043 448 c HN 0.216 nan 8.230 nan 0.000 0.472 449 A N -0.164 122.704 122.820 0.080 0.000 1.978 449 A HA -0.224 4.098 4.320 0.003 0.000 0.220 449 A C 2.143 179.774 177.584 0.079 0.000 1.170 449 A CA 2.039 54.138 52.037 0.104 0.000 0.636 449 A CB -0.877 18.155 19.000 0.053 0.000 0.810 449 A HN 0.845 nan 8.150 nan 0.000 0.448 450 E N -0.311 119.903 120.200 0.022 0.000 2.017 450 E HA -0.252 4.100 4.350 0.003 0.000 0.193 450 E C 1.693 178.307 176.600 0.023 0.000 0.997 450 E CA 1.376 57.788 56.400 0.019 0.000 0.804 450 E CB -0.286 29.407 29.700 -0.011 0.000 0.757 450 E HN 0.594 nan 8.360 nan 0.000 0.448 451 D N -1.179 119.191 120.400 -0.051 0.000 2.178 451 D HA -0.147 4.495 4.640 0.003 0.000 0.201 451 D C 1.683 177.921 176.300 -0.104 0.000 0.980 451 D CA 0.842 54.778 54.000 -0.108 0.000 0.842 451 D CB 0.088 40.752 40.800 -0.226 0.000 0.948 451 D HN 0.282 nan 8.370 nan 0.000 0.472 452 Y N 0.184 120.495 120.300 0.019 0.000 2.243 452 Y HA -0.069 4.482 4.550 0.002 0.000 0.293 452 Y C 2.103 178.005 175.900 0.004 0.000 1.124 452 Y CA 0.233 58.342 58.100 0.016 0.000 1.159 452 Y CB -0.503 37.966 38.460 0.016 0.000 1.008 452 Y HN -0.036 nan 8.280 nan 0.000 0.527 453 L N -0.065 121.252 121.223 0.157 0.000 2.141 453 L HA -0.179 4.163 4.340 0.003 0.000 0.209 453 L C 2.578 179.471 176.870 0.038 0.000 1.094 453 L CA 1.921 56.802 54.840 0.069 0.000 0.763 453 L CB -1.072 41.016 42.059 0.048 0.000 0.908 453 L HN 0.313 nan 8.230 nan 0.000 0.437 454 S N -2.089 113.643 115.700 0.053 0.000 2.370 454 S HA -0.194 4.278 4.470 0.003 0.000 0.226 454 S C 2.060 176.674 174.600 0.023 0.000 1.033 454 S CA 1.492 59.718 58.200 0.042 0.000 1.011 454 S CB -1.184 62.045 63.200 0.048 0.000 0.852 454 S HN 0.266 nan 8.310 nan 0.000 0.457 455 V N 1.381 121.316 119.914 0.034 0.000 2.323 455 V HA -0.065 4.057 4.120 0.003 0.000 0.244 455 V C 2.452 178.557 176.094 0.018 0.000 1.041 455 V CA 1.754 64.073 62.300 0.032 0.000 1.025 455 V CB -0.449 31.410 31.823 0.059 0.000 0.656 455 V HN 0.485 nan 8.190 nan 0.000 0.451 456 V N 0.019 119.942 119.914 0.015 0.000 2.332 456 V HA -0.246 3.876 4.120 0.003 0.000 0.248 456 V C 2.481 178.521 176.094 -0.091 0.000 1.055 456 V CA 2.193 64.475 62.300 -0.031 0.000 1.038 456 V CB -0.737 31.061 31.823 -0.041 0.000 0.651 456 V HN 0.471 nan 8.190 nan 0.000 0.450 457 L N 0.258 121.418 121.223 -0.105 0.000 2.093 457 L HA -0.122 4.220 4.340 0.003 0.000 0.208 457 L C 2.192 179.023 176.870 -0.066 0.000 1.085 457 L CA 2.030 56.769 54.840 -0.169 0.000 0.755 457 L CB -1.028 40.956 42.059 -0.125 0.000 0.904 457 L HN 0.422 nan 8.230 nan 0.000 0.435 458 N N -1.043 117.651 118.700 -0.009 0.000 2.171 458 N HA -0.189 4.553 4.740 0.003 0.000 0.184 458 N C 1.976 177.497 175.510 0.018 0.000 1.021 458 N CA 1.456 54.521 53.050 0.024 0.000 0.854 458 N CB -0.019 38.483 38.487 0.025 0.000 0.994 458 N HN 0.387 nan 8.380 nan 0.000 0.426 459 Q N 0.559 120.361 119.800 0.003 0.000 2.135 459 Q HA -0.075 4.267 4.340 0.003 0.000 0.204 459 Q C 2.162 178.165 176.000 0.006 0.000 0.981 459 Q CA 1.698 57.507 55.803 0.010 0.000 0.856 459 Q CB -1.195 27.547 28.738 0.008 0.000 0.902 459 Q HN 0.536 nan 8.270 nan 0.000 0.425 460 L N -0.156 121.048 121.223 -0.031 0.000 2.046 460 L HA -0.106 4.236 4.340 0.003 0.000 0.208 460 L C 2.515 179.408 176.870 0.037 0.000 1.077 460 L CA 2.447 57.261 54.840 -0.043 0.000 0.747 460 L CB -0.869 41.086 42.059 -0.173 0.000 0.896 460 L HN 0.525 nan 8.230 nan 0.000 0.432 461 c N -1.621 117.015 118.600 0.059 0.000 2.450 461 c HA -0.037 4.535 4.570 0.003 0.000 0.279 461 c C 2.715 176.879 174.090 0.124 0.000 1.335 461 c CA 0.680 57.086 56.329 0.128 0.000 1.749 461 c CB -0.730 41.863 42.510 0.138 0.000 1.963 461 c HN 0.517 nan 8.230 nan 0.000 0.501 462 V N 1.034 120.995 119.914 0.078 0.000 2.270 462 V HA -0.207 3.915 4.120 0.003 0.000 0.245 462 V C 2.353 178.484 176.094 0.063 0.000 1.043 462 V CA 1.795 64.131 62.300 0.060 0.000 1.014 462 V CB -0.661 31.184 31.823 0.038 0.000 0.645 462 V HN 0.514 nan 8.190 nan 0.000 0.447 463 L N -0.493 120.768 121.223 0.064 0.000 1.944 463 L HA -0.282 4.060 4.340 0.003 0.000 0.218 463 L C 2.659 179.570 176.870 0.068 0.000 1.075 463 L CA 2.447 57.320 54.840 0.055 0.000 0.767 463 L CB -1.274 40.818 42.059 0.055 0.000 0.890 463 L HN 0.455 nan 8.230 nan 0.000 0.434 464 H N 0.346 119.430 119.070 0.023 0.000 2.400 464 H HA -0.284 4.275 4.556 0.005 0.000 0.295 464 H C 2.178 177.523 175.328 0.028 0.000 1.118 464 H CA 2.413 58.479 56.048 0.031 0.000 1.256 464 H CB 0.073 29.865 29.762 0.051 0.000 1.365 464 H HN 0.454 nan 8.280 nan 0.000 0.502 465 E N 0.251 120.504 120.200 0.087 0.000 2.085 465 E HA -0.201 4.151 4.350 0.003 0.000 0.194 465 E C 2.604 179.180 176.600 -0.040 0.000 0.994 465 E CA 1.866 58.286 56.400 0.034 0.000 0.801 465 E CB -0.017 29.720 29.700 0.061 0.000 0.743 465 E HN 0.573 nan 8.360 nan 0.000 0.453 466 K N 0.115 120.498 120.400 -0.029 0.000 1.985 466 K HA -0.063 4.259 4.320 0.003 0.000 0.210 466 K C 1.581 178.139 176.600 -0.070 0.000 1.047 466 K CA 1.832 58.098 56.287 -0.035 0.000 0.932 466 K CB -1.162 31.328 32.500 -0.016 0.000 0.716 466 K HN 0.132 nan 8.250 nan 0.000 0.439 467 T N 2.707 117.202 114.554 -0.098 0.000 3.400 467 T HA 0.348 4.700 4.350 0.003 0.000 0.362 467 T C -2.691 171.850 174.700 -0.266 0.000 1.823 467 T CA -1.356 60.671 62.100 -0.123 0.000 1.374 467 T CB 0.954 69.780 68.868 -0.069 0.000 1.130 467 T HN 0.198 nan 8.240 nan 0.000 0.744 468 P HA 0.075 nan 4.420 nan 0.000 0.263 468 P C 0.311 177.426 177.300 -0.308 0.000 1.175 468 P CA 0.177 62.968 63.100 -0.515 0.000 0.761 468 P CB 0.775 32.345 31.700 -0.217 0.000 0.794 469 V N 0.387 120.171 119.914 -0.216 0.000 3.213 469 V HA 0.133 4.255 4.120 0.003 0.000 0.260 469 V C 0.239 176.455 176.094 0.202 0.000 1.663 469 V CA 0.381 62.722 62.300 0.069 0.000 1.026 469 V CB 0.889 32.771 31.823 0.099 0.000 0.874 469 V HN 0.601 nan 8.190 nan 0.000 0.410 470 S N 0.914 116.853 115.700 0.398 0.000 2.614 470 S HA 0.274 4.746 4.470 0.003 0.000 0.275 470 S C 0.468 175.166 174.600 0.162 0.000 1.161 470 S CA 0.012 58.338 58.200 0.210 0.000 0.969 470 S CB 1.716 64.991 63.200 0.126 0.000 1.059 470 S HN 0.472 nan 8.310 nan 0.000 0.482 471 D N 5.143 125.597 120.400 0.090 0.000 2.144 471 D HA -0.193 4.449 4.640 0.003 0.000 0.199 471 D C 1.460 177.758 176.300 -0.002 0.000 0.984 471 D CA 0.941 54.973 54.000 0.053 0.000 0.834 471 D CB -0.163 40.657 40.800 0.034 0.000 0.955 471 D HN 0.611 nan 8.370 nan 0.000 0.465 472 R N 0.662 121.146 120.500 -0.026 0.000 2.083 472 R HA -0.061 4.281 4.340 0.003 0.000 0.237 472 R C 2.746 178.937 176.300 -0.181 0.000 1.137 472 R CA 1.235 57.283 56.100 -0.086 0.000 0.951 472 R CB -0.605 29.659 30.300 -0.060 0.000 0.851 472 R HN 0.097 nan 8.270 nan 0.000 0.434 473 V N 0.608 120.406 119.914 -0.192 0.000 2.295 473 V HA -0.263 3.859 4.120 0.003 0.000 0.246 473 V C 2.126 178.045 176.094 -0.292 0.000 1.049 473 V CA 2.316 64.425 62.300 -0.318 0.000 1.024 473 V CB -0.680 30.813 31.823 -0.550 0.000 0.648 473 V HN 0.426 nan 8.190 nan 0.000 0.447 474 T N -0.554 113.912 114.554 -0.146 0.000 2.759 474 T HA -0.262 4.090 4.350 0.003 0.000 0.269 474 T C 1.936 176.609 174.700 -0.046 0.000 1.042 474 T CA 1.873 63.981 62.100 0.013 0.000 1.140 474 T CB -0.199 68.746 68.868 0.129 0.000 0.864 474 T HN 0.449 nan 8.240 nan 0.000 0.455 475 K N 0.248 120.594 120.400 -0.091 0.000 1.985 475 K HA -0.123 4.199 4.320 0.003 0.000 0.210 475 K C 2.543 179.048 176.600 -0.159 0.000 1.047 475 K CA 1.648 57.875 56.287 -0.099 0.000 0.932 475 K CB -0.467 31.970 32.500 -0.105 0.000 0.716 475 K HN 0.326 nan 8.250 nan 0.000 0.439 476 c N 0.578 118.985 118.600 -0.322 0.000 2.413 476 c HA -0.158 4.414 4.570 0.003 0.000 0.277 476 c C 2.929 176.861 174.090 -0.264 0.000 1.265 476 c CA 0.548 56.584 56.329 -0.488 0.000 1.752 476 c CB -1.042 40.703 42.510 -1.274 0.000 1.998 476 c HN 0.652 nan 8.230 nan 0.000 0.489 477 c N 0.738 119.246 118.600 -0.154 0.000 2.432 477 c HA -0.053 4.519 4.570 0.003 0.000 0.280 477 c C 2.512 176.641 174.090 0.065 0.000 1.353 477 c CA 1.839 58.197 56.329 0.049 0.000 1.766 477 c CB -1.538 41.027 42.510 0.093 0.000 1.924 477 c HN 0.824 nan 8.230 nan 0.000 0.509 478 T N -2.290 112.282 114.554 0.030 0.000 3.134 478 T HA 0.164 4.516 4.350 0.003 0.000 0.260 478 T C 0.001 174.742 174.700 0.068 0.000 1.027 478 T CA 0.039 62.171 62.100 0.054 0.000 0.913 478 T CB 0.093 68.980 68.868 0.032 0.000 1.046 478 T HN 0.415 nan 8.240 nan 0.000 0.553 479 E N 1.956 122.186 120.200 0.049 0.000 2.405 479 E HA 0.443 4.795 4.350 0.003 0.000 0.253 479 E C 0.211 176.877 176.600 0.111 0.000 1.257 479 E CA -0.429 55.997 56.400 0.043 0.000 0.960 479 E CB 0.951 30.638 29.700 -0.022 0.000 1.077 479 E HN 0.215 nan 8.360 nan 0.000 0.512 480 S N -0.200 115.540 115.700 0.066 0.000 2.568 480 S HA 0.103 4.575 4.470 0.003 0.000 0.282 480 S C 1.513 176.064 174.600 -0.081 0.000 1.338 480 S CA 0.200 58.413 58.200 0.022 0.000 1.045 480 S CB 0.071 63.259 63.200 -0.020 0.000 0.873 480 S HN 0.676 nan 8.310 nan 0.000 0.516 481 L N 5.038 126.033 121.223 -0.382 0.000 2.261 481 L HA 0.043 4.385 4.340 0.003 0.000 0.216 481 L C 2.385 179.198 176.870 -0.095 0.000 1.114 481 L CA 2.224 56.865 54.840 -0.332 0.000 0.777 481 L CB -1.626 39.978 42.059 -0.759 0.000 0.910 481 L HN 0.804 nan 8.230 nan 0.000 0.440 482 V N -0.771 119.077 119.914 -0.110 0.000 2.878 482 V HA -0.134 3.988 4.120 0.003 0.000 0.250 482 V C 2.031 178.097 176.094 -0.047 0.000 1.075 482 V CA 1.612 63.871 62.300 -0.068 0.000 1.096 482 V CB -0.549 31.218 31.823 -0.093 0.000 0.724 482 V HN 0.837 nan 8.190 nan 0.000 0.467 483 N N -0.357 118.322 118.700 -0.036 0.000 2.299 483 N HA 0.020 4.762 4.740 0.003 0.000 0.187 483 N C 1.829 177.336 175.510 -0.005 0.000 1.099 483 N CA -0.122 52.914 53.050 -0.024 0.000 0.867 483 N CB 0.208 38.678 38.487 -0.027 0.000 0.974 483 N HN 0.349 nan 8.380 nan 0.000 0.477 484 R N 1.992 122.507 120.500 0.026 0.000 2.148 484 R HA -0.156 4.186 4.340 0.003 0.000 0.230 484 R C 2.285 178.684 176.300 0.165 0.000 1.120 484 R CA 1.556 57.706 56.100 0.085 0.000 0.902 484 R CB -0.141 30.245 30.300 0.142 0.000 0.839 484 R HN 0.033 nan 8.270 nan 0.000 0.431 485 R N 0.265 120.864 120.500 0.166 0.000 2.103 485 R HA -0.089 4.253 4.340 0.003 0.000 0.242 485 R C -0.814 175.568 176.300 0.137 0.000 1.142 485 R CA 1.956 58.164 56.100 0.181 0.000 0.960 485 R CB -1.511 28.843 30.300 0.089 0.000 0.858 485 R HN 0.327 nan 8.270 nan 0.000 0.439 486 P HA -0.111 nan 4.420 nan 0.000 0.215 486 P C 1.686 178.998 177.300 0.021 0.000 1.153 486 P CA 1.056 64.173 63.100 0.029 0.000 0.853 486 P CB -0.299 31.397 31.700 -0.006 0.000 0.788 487 c N -1.801 116.788 118.600 -0.019 0.000 2.413 487 c HA -0.166 4.406 4.570 0.003 0.000 0.276 487 c C 2.397 176.413 174.090 -0.124 0.000 1.248 487 c CA 0.822 57.084 56.329 -0.111 0.000 1.742 487 c CB -2.159 40.223 42.510 -0.214 0.000 2.017 487 c HN 0.065 nan 8.230 nan 0.000 0.481 488 F N 1.271 121.207 119.950 -0.023 0.000 2.186 488 F HA -0.053 4.477 4.527 0.005 0.000 0.299 488 F C 2.770 178.573 175.800 0.005 0.000 1.090 488 F CA 1.850 59.832 58.000 -0.031 0.000 1.307 488 F CB -0.710 38.251 39.000 -0.064 0.000 1.019 488 F HN 0.131 nan 8.300 nan 0.000 0.489 489 S N -0.255 115.562 115.700 0.195 0.000 2.399 489 S HA -0.153 4.319 4.470 0.003 0.000 0.231 489 S C 2.239 176.896 174.600 0.095 0.000 1.022 489 S CA 1.001 59.284 58.200 0.139 0.000 0.983 489 S CB -0.556 62.700 63.200 0.094 0.000 0.803 489 S HN 0.350 nan 8.310 nan 0.000 0.480 490 A N 0.814 123.668 122.820 0.057 0.000 2.167 490 A HA 0.244 4.566 4.320 0.003 0.000 0.214 490 A C 0.775 178.375 177.584 0.027 0.000 1.151 490 A CA 0.172 52.225 52.037 0.027 0.000 0.735 490 A CB -0.459 18.540 19.000 -0.002 0.000 0.802 490 A HN 0.420 nan 8.150 nan 0.000 0.467 491 L N 1.040 122.290 121.223 0.045 0.000 2.525 491 L HA 0.032 4.374 4.340 0.003 0.000 0.278 491 L C 0.369 177.270 176.870 0.052 0.000 1.218 491 L CA 0.373 55.240 54.840 0.044 0.000 0.878 491 L CB 0.174 42.284 42.059 0.085 0.000 1.127 491 L HN 0.405 nan 8.230 nan 0.000 0.492 492 E N 1.366 121.587 120.200 0.034 0.000 2.281 492 E HA 0.392 4.744 4.350 0.003 0.000 0.262 492 E C -0.824 175.794 176.600 0.030 0.000 0.933 492 E CA -1.100 55.318 56.400 0.030 0.000 0.809 492 E CB 2.181 31.893 29.700 0.020 0.000 1.242 492 E HN 0.223 nan 8.360 nan 0.000 0.418 493 V N 1.766 121.694 119.914 0.023 0.000 2.953 493 V HA -0.133 3.989 4.120 0.003 0.000 0.304 493 V C 0.359 176.471 176.094 0.029 0.000 1.138 493 V CA 0.725 63.037 62.300 0.021 0.000 1.266 493 V CB 0.190 32.023 31.823 0.016 0.000 0.923 493 V HN 0.668 nan 8.190 nan 0.000 0.505 494 D N 3.434 123.854 120.400 0.033 0.000 2.393 494 D HA 0.125 4.767 4.640 0.003 0.000 0.232 494 D C 1.010 177.361 176.300 0.086 0.000 1.192 494 D CA -0.060 53.974 54.000 0.056 0.000 0.882 494 D CB 0.994 41.826 40.800 0.054 0.000 1.038 494 D HN 0.662 nan 8.370 nan 0.000 0.499 495 E N 1.434 121.675 120.200 0.068 0.000 2.152 495 E HA -0.099 4.253 4.350 0.003 0.000 0.192 495 E C 1.408 178.054 176.600 0.078 0.000 0.983 495 E CA 0.833 57.272 56.400 0.064 0.000 0.818 495 E CB 0.381 30.105 29.700 0.041 0.000 0.758 495 E HN 0.480 nan 8.360 nan 0.000 0.467 496 T N 0.707 115.312 114.554 0.085 0.000 2.545 496 T HA -0.242 4.110 4.350 0.003 0.000 0.261 496 T C 0.460 175.226 174.700 0.111 0.000 1.097 496 T CA 0.901 63.051 62.100 0.084 0.000 1.189 496 T CB -0.642 68.277 68.868 0.086 0.000 0.863 496 T HN 0.197 nan 8.240 nan 0.000 0.405 497 Y N 2.669 122.983 120.300 0.024 0.000 2.995 497 Y HA -0.076 4.476 4.550 0.003 0.000 0.381 497 Y C -0.444 175.471 175.900 0.026 0.000 1.186 497 Y CA -0.481 57.636 58.100 0.028 0.000 1.592 497 Y CB -0.195 38.285 38.460 0.033 0.000 1.061 497 Y HN -0.030 nan 8.280 nan 0.000 0.566 498 V N 9.820 129.399 119.914 -0.559 0.000 2.383 498 V HA 0.255 4.377 4.120 0.003 0.000 0.275 498 V C -1.806 173.840 176.094 -0.746 0.000 1.036 498 V CA -2.027 60.008 62.300 -0.442 0.000 0.889 498 V CB 1.105 32.782 31.823 -0.242 0.000 0.985 498 V HN 0.713 nan 8.190 nan 0.000 0.459 499 P HA -0.071 nan 4.420 nan 0.000 0.263 499 P C -0.228 177.021 177.300 -0.085 0.000 1.162 499 P CA 0.281 63.279 63.100 -0.170 0.000 0.758 499 P CB 0.394 32.063 31.700 -0.052 0.000 0.773 500 K N 3.323 123.791 120.400 0.113 0.000 2.322 500 K HA 0.056 4.378 4.320 0.003 0.000 0.283 500 K C 0.256 177.020 176.600 0.273 0.000 1.042 500 K CA -0.233 56.154 56.287 0.167 0.000 0.958 500 K CB 0.362 33.006 32.500 0.241 0.000 0.984 500 K HN 0.427 nan 8.250 nan 0.000 0.473 501 E N 2.343 122.651 120.200 0.180 0.000 2.438 501 E HA -0.111 4.241 4.350 0.003 0.000 0.261 501 E C -0.408 176.296 176.600 0.173 0.000 1.103 501 E CA 0.043 56.575 56.400 0.219 0.000 0.959 501 E CB 0.382 30.159 29.700 0.128 0.000 0.958 501 E HN 0.373 nan 8.360 nan 0.000 0.447 502 F N 3.116 123.065 119.950 -0.003 0.000 2.529 502 F HA 0.061 4.590 4.527 0.003 0.000 0.365 502 F C 0.230 175.990 175.800 -0.067 0.000 1.102 502 F CA 0.094 57.934 58.000 -0.267 0.000 1.271 502 F CB 0.465 39.349 39.000 -0.194 0.000 1.120 502 F HN 0.235 nan 8.300 nan 0.000 0.579 503 N N 4.636 122.779 118.700 -0.927 0.000 2.461 503 N HA 0.342 5.084 4.740 0.003 0.000 0.284 503 N C 0.126 175.112 175.510 -0.873 0.000 1.049 503 N CA 0.144 52.827 53.050 -0.612 0.000 0.889 503 N CB 1.848 40.111 38.487 -0.373 0.000 1.365 503 N HN 0.787 nan 8.380 nan 0.000 0.499 504 A N 3.850 126.404 122.820 -0.443 0.000 1.851 504 A HA -0.183 4.139 4.320 0.003 0.000 0.216 504 A C 1.998 179.499 177.584 -0.138 0.000 1.195 504 A CA 2.663 54.630 52.037 -0.117 0.000 0.622 504 A CB -1.343 17.734 19.000 0.128 0.000 0.831 504 A HN 0.819 nan 8.150 nan 0.000 0.444 505 E N -0.883 119.228 120.200 -0.148 0.000 2.108 505 E HA -0.281 4.071 4.350 0.003 0.000 0.203 505 E C 1.951 178.373 176.600 -0.296 0.000 1.022 505 E CA 2.378 58.683 56.400 -0.159 0.000 0.823 505 E CB -2.038 27.584 29.700 -0.130 0.000 0.744 505 E HN 0.657 nan 8.360 nan 0.000 0.456 506 T N -0.635 113.653 114.554 -0.443 0.000 2.897 506 T HA -0.037 4.315 4.350 0.003 0.000 0.271 506 T C 0.809 174.921 174.700 -0.981 0.000 1.084 506 T CA 1.322 62.984 62.100 -0.729 0.000 1.123 506 T CB -0.300 68.006 68.868 -0.938 0.000 0.865 506 T HN 0.487 nan 8.240 nan 0.000 0.496 507 F N 0.988 120.768 119.950 -0.284 0.000 2.683 507 F HA 0.236 4.765 4.527 0.003 0.000 0.306 507 F C 0.898 176.643 175.800 -0.091 0.000 1.102 507 F CA -0.807 57.118 58.000 -0.124 0.000 1.244 507 F CB 0.002 39.039 39.000 0.061 0.000 1.029 507 F HN -0.064 nan 8.300 nan 0.000 0.545 508 T N -1.187 113.255 114.554 -0.186 0.000 2.767 508 T HA 0.598 4.950 4.350 0.003 0.000 0.288 508 T C -0.636 173.855 174.700 -0.349 0.000 0.963 508 T CA -0.293 61.751 62.100 -0.094 0.000 1.019 508 T CB 0.772 69.595 68.868 -0.075 0.000 0.923 508 T HN -0.093 nan 8.240 nan 0.000 0.468 509 F N 1.143 121.138 119.950 0.074 0.000 2.522 509 F HA 0.597 5.125 4.527 0.003 0.000 0.324 509 F C 0.591 176.286 175.800 -0.175 0.000 1.077 509 F CA -1.034 57.011 58.000 0.075 0.000 0.944 509 F CB 1.772 40.935 39.000 0.273 0.000 1.175 509 F HN 0.629 nan 8.300 nan 0.000 0.468 510 H N -0.396 118.827 119.070 0.255 0.000 2.713 510 H HA 0.609 5.167 4.556 0.003 0.000 0.340 510 H C 0.529 175.908 175.328 0.085 0.000 1.271 510 H CA -0.441 55.689 56.048 0.137 0.000 1.306 510 H CB 1.119 30.931 29.762 0.084 0.000 1.839 510 H HN 0.624 nan 8.280 nan 0.000 0.627 511 A N 0.337 123.260 122.820 0.171 0.000 2.121 511 A HA -0.157 4.165 4.320 0.003 0.000 0.218 511 A C 1.536 179.158 177.584 0.063 0.000 1.154 511 A CA 1.406 53.482 52.037 0.065 0.000 0.679 511 A CB -0.668 18.357 19.000 0.041 0.000 0.795 511 A HN 0.849 nan 8.150 nan 0.000 0.458 512 D N 0.004 120.466 120.400 0.102 0.000 2.311 512 D HA -0.144 4.498 4.640 0.003 0.000 0.212 512 D C 1.615 177.956 176.300 0.068 0.000 0.972 512 D CA 1.275 55.316 54.000 0.067 0.000 0.887 512 D CB -0.886 39.947 40.800 0.055 0.000 0.915 512 D HN 0.313 nan 8.370 nan 0.000 0.497 513 I N 0.450 121.077 120.570 0.095 0.000 2.614 513 I HA -0.161 4.011 4.170 0.003 0.000 0.258 513 I C 2.161 178.289 176.117 0.018 0.000 1.189 513 I CA 0.580 61.931 61.300 0.085 0.000 1.462 513 I CB -1.033 37.041 38.000 0.124 0.000 1.092 513 I HN 0.366 nan 8.210 nan 0.000 0.442 514 c N 0.708 119.303 118.600 -0.008 0.000 2.464 514 c HA -0.034 4.538 4.570 0.003 0.000 0.278 514 c C 2.802 176.879 174.090 -0.020 0.000 1.375 514 c CA 1.223 57.531 56.329 -0.036 0.000 1.761 514 c CB -1.633 40.845 42.510 -0.052 0.000 1.944 514 c HN 0.774 nan 8.230 nan 0.000 0.509 515 T N -1.193 113.358 114.554 -0.004 0.000 3.057 515 T HA 0.301 4.653 4.350 0.003 0.000 0.254 515 T C 0.736 175.438 174.700 0.003 0.000 1.094 515 T CA 0.838 62.937 62.100 -0.002 0.000 1.088 515 T CB -0.759 68.111 68.868 0.003 0.000 0.934 515 T HN 0.438 nan 8.240 nan 0.000 0.497 516 L N 2.538 123.767 121.223 0.011 0.000 2.483 516 L HA 0.691 5.033 4.340 0.003 0.000 0.275 516 L C 1.021 177.894 176.870 0.005 0.000 1.220 516 L CA -0.424 54.426 54.840 0.016 0.000 0.833 516 L CB -0.658 nan 42.059 nan 0.000 1.102 516 L HN 0.709 nan 8.230 nan 0.000 0.490 517 S N 0.126 115.830 115.700 0.007 0.000 2.600 517 S HA 0.217 4.689 4.470 0.003 0.000 0.265 517 S C 0.907 175.502 174.600 -0.008 0.000 1.325 517 S CA 0.295 58.495 58.200 -0.001 0.000 1.002 517 S CB 0.864 64.067 63.200 0.005 0.000 0.921 517 S HN 0.810 nan 8.310 nan 0.000 0.554 518 E N 1.362 121.548 120.200 -0.022 0.000 2.048 518 E HA -0.213 4.139 4.350 0.003 0.000 0.202 518 E C 1.847 178.429 176.600 -0.029 0.000 1.021 518 E CA 1.667 58.041 56.400 -0.044 0.000 0.825 518 E CB -0.509 29.159 29.700 -0.054 0.000 0.756 518 E HN 0.848 nan 8.360 nan 0.000 0.454 519 K N 0.464 120.863 120.400 -0.003 0.000 2.211 519 K HA -0.181 4.141 4.320 0.003 0.000 0.204 519 K C 1.753 178.376 176.600 0.038 0.000 1.047 519 K CA 1.203 57.504 56.287 0.024 0.000 0.935 519 K CB 0.175 32.694 32.500 0.031 0.000 0.728 519 K HN -0.005 nan 8.250 nan 0.000 0.452 520 E N 0.797 121.015 120.200 0.030 0.000 2.076 520 E HA -0.131 4.221 4.350 0.003 0.000 0.190 520 E C 1.865 178.500 176.600 0.058 0.000 0.979 520 E CA 1.034 57.460 56.400 0.043 0.000 0.807 520 E CB -0.007 29.714 29.700 0.036 0.000 0.761 520 E HN 0.476 nan 8.360 nan 0.000 0.454 521 E N 1.163 121.385 120.200 0.037 0.000 2.051 521 E HA -0.201 4.151 4.350 0.003 0.000 0.192 521 E C 2.212 178.859 176.600 0.080 0.000 0.991 521 E CA 0.911 57.340 56.400 0.049 0.000 0.799 521 E CB -0.206 29.492 29.700 -0.003 0.000 0.748 521 E HN 0.317 nan 8.360 nan 0.000 0.449 522 Q N 0.787 120.616 119.800 0.047 0.000 2.002 522 Q HA -0.159 4.183 4.340 0.003 0.000 0.204 522 Q C 2.381 178.508 176.000 0.211 0.000 0.988 522 Q CA 1.380 57.272 55.803 0.149 0.000 0.843 522 Q CB -0.315 28.503 28.738 0.133 0.000 0.908 522 Q HN 0.326 nan 8.270 nan 0.000 0.420 523 I N 0.906 121.565 120.570 0.148 0.000 2.530 523 I HA -0.293 3.879 4.170 0.003 0.000 0.257 523 I C 2.674 178.866 176.117 0.125 0.000 1.179 523 I CA 1.471 62.845 61.300 0.124 0.000 1.440 523 I CB -0.478 37.576 38.000 0.090 0.000 1.087 523 I HN 0.253 nan 8.210 nan 0.000 0.440 524 K N 1.347 121.835 120.400 0.148 0.000 2.067 524 K HA -0.056 4.266 4.320 0.003 0.000 0.203 524 K C 2.023 178.764 176.600 0.235 0.000 1.048 524 K CA 0.948 57.347 56.287 0.186 0.000 0.954 524 K CB -0.505 32.125 32.500 0.216 0.000 0.737 524 K HN 0.306 nan 8.250 nan 0.000 0.444 525 K N 0.681 121.215 120.400 0.225 0.000 2.097 525 K HA -0.085 4.237 4.320 0.003 0.000 0.205 525 K C 2.532 179.205 176.600 0.121 0.000 1.050 525 K CA 1.463 57.860 56.287 0.183 0.000 0.938 525 K CB 0.040 32.690 32.500 0.250 0.000 0.718 525 K HN 0.477 nan 8.250 nan 0.000 0.442 526 Q N 0.051 119.940 119.800 0.147 0.000 2.224 526 Q HA -0.089 4.253 4.340 0.003 0.000 0.203 526 Q C 1.796 177.833 176.000 0.061 0.000 0.970 526 Q CA 1.391 57.245 55.803 0.085 0.000 0.865 526 Q CB -0.010 28.784 28.738 0.093 0.000 0.922 526 Q HN 0.287 nan 8.270 nan 0.000 0.445 527 T N 0.597 115.197 114.554 0.077 0.000 2.857 527 T HA -0.046 4.306 4.350 0.003 0.000 0.266 527 T C 1.884 176.602 174.700 0.029 0.000 1.048 527 T CA 1.011 63.138 62.100 0.044 0.000 1.139 527 T CB -0.107 68.784 68.868 0.038 0.000 0.874 527 T HN 0.360 nan 8.240 nan 0.000 0.455 528 A N 1.308 124.172 122.820 0.073 0.000 1.930 528 A HA 0.031 4.353 4.320 0.003 0.000 0.217 528 A C 2.183 179.848 177.584 0.134 0.000 1.175 528 A CA 1.002 53.092 52.037 0.088 0.000 0.627 528 A CB -0.714 18.451 19.000 0.276 0.000 0.815 528 A HN 0.386 nan 8.150 nan 0.000 0.443 529 L N 0.032 121.296 121.223 0.069 0.000 2.017 529 L HA -0.121 4.221 4.340 0.003 0.000 0.208 529 L C 2.428 179.342 176.870 0.073 0.000 1.073 529 L CA 1.955 56.827 54.840 0.053 0.000 0.745 529 L CB -0.694 41.366 42.059 0.001 0.000 0.894 529 L HN 0.163 nan 8.230 nan 0.000 0.432 530 V N -0.171 119.774 119.914 0.051 0.000 2.287 530 V HA -0.262 3.860 4.120 0.003 0.000 0.248 530 V C 2.670 178.815 176.094 0.084 0.000 1.053 530 V CA 1.874 64.202 62.300 0.045 0.000 1.027 530 V CB -0.685 31.153 31.823 0.025 0.000 0.646 530 V HN 0.462 nan 8.190 nan 0.000 0.447 531 E N -0.258 119.996 120.200 0.089 0.000 2.110 531 E HA -0.207 4.145 4.350 0.003 0.000 0.193 531 E C 2.092 178.910 176.600 0.363 0.000 0.988 531 E CA 1.099 57.576 56.400 0.128 0.000 0.804 531 E CB -0.454 29.191 29.700 -0.093 0.000 0.745 531 E HN 0.463 nan 8.360 nan 0.000 0.458 532 L N 0.719 122.193 121.223 0.418 0.000 1.994 532 L HA -0.152 4.190 4.340 0.003 0.000 0.208 532 L C 2.306 179.322 176.870 0.243 0.000 1.071 532 L CA 1.469 56.537 54.840 0.381 0.000 0.745 532 L CB -0.794 41.401 42.059 0.226 0.000 0.892 532 L HN -0.097 nan 8.230 nan 0.000 0.431 533 V N -0.144 119.866 119.914 0.159 0.000 2.332 533 V HA -0.306 3.816 4.120 0.003 0.000 0.248 533 V C 2.587 178.767 176.094 0.144 0.000 1.055 533 V CA 2.084 64.446 62.300 0.105 0.000 1.038 533 V CB -0.764 31.086 31.823 0.046 0.000 0.651 533 V HN 0.469 nan 8.190 nan 0.000 0.450 534 K N -0.910 119.598 120.400 0.180 0.000 2.283 534 K HA -0.185 4.137 4.320 0.003 0.000 0.202 534 K C 2.125 178.961 176.600 0.394 0.000 1.048 534 K CA 1.312 57.752 56.287 0.256 0.000 0.948 534 K CB -0.166 32.463 32.500 0.215 0.000 0.742 534 K HN 0.585 nan 8.250 nan 0.000 0.458 535 H N 0.496 119.707 119.070 0.234 0.000 2.431 535 H HA 0.130 4.688 4.556 0.004 0.000 0.295 535 H C -0.047 175.372 175.328 0.152 0.000 1.038 535 H CA 0.900 57.075 56.048 0.211 0.000 1.360 535 H CB 0.627 30.541 29.762 0.253 0.000 1.433 535 H HN -0.244 nan 8.280 nan 0.000 0.536 536 K N 1.515 121.929 120.400 0.024 0.000 2.762 536 K HA 0.190 4.512 4.320 0.003 0.000 0.180 536 K C -2.277 174.337 176.600 0.023 0.000 1.067 536 K CA -1.687 54.559 56.287 -0.068 0.000 0.973 536 K CB 1.500 33.947 32.500 -0.089 0.000 1.290 536 K HN 0.322 nan 8.250 nan 0.000 0.604 537 P HA -0.116 nan 4.420 nan 0.000 0.225 537 P C 0.522 177.848 177.300 0.042 0.000 1.148 537 P CA 0.771 63.921 63.100 0.084 0.000 0.779 537 P CB 0.520 32.328 31.700 0.181 0.000 0.780 538 K N -0.312 120.101 120.400 0.021 0.000 2.444 538 K HA 0.228 4.550 4.320 0.003 0.000 0.193 538 K C 1.097 177.694 176.600 -0.005 0.000 1.024 538 K CA -0.198 56.093 56.287 0.007 0.000 1.077 538 K CB -0.188 32.310 32.500 -0.002 0.000 0.833 538 K HN 0.065 nan 8.250 nan 0.000 0.517 539 A N 2.284 125.099 122.820 -0.008 0.000 2.511 539 A HA 0.158 4.480 4.320 0.003 0.000 0.242 539 A C 0.791 178.369 177.584 -0.010 0.000 1.069 539 A CA -0.032 51.998 52.037 -0.013 0.000 0.763 539 A CB -0.119 18.873 19.000 -0.012 0.000 1.001 539 A HN 0.354 nan 8.150 nan 0.000 0.498 540 T N 0.513 115.060 114.554 -0.012 0.000 2.788 540 T HA 0.288 4.640 4.350 0.003 0.000 0.280 540 T C 1.050 175.742 174.700 -0.013 0.000 0.984 540 T CA -0.132 61.961 62.100 -0.012 0.000 0.972 540 T CB 0.640 69.502 68.868 -0.010 0.000 1.039 540 T HN 0.618 nan 8.240 nan 0.000 0.530 541 K N 0.127 120.518 120.400 -0.015 0.000 2.057 541 K HA -0.120 4.202 4.320 0.003 0.000 0.207 541 K C 2.413 179.007 176.600 -0.010 0.000 1.049 541 K CA 1.423 57.700 56.287 -0.017 0.000 0.931 541 K CB -0.101 32.388 32.500 -0.018 0.000 0.714 541 K HN 0.589 nan 8.250 nan 0.000 0.440 542 E N 1.242 121.437 120.200 -0.008 0.000 2.033 542 E HA -0.239 4.113 4.350 0.003 0.000 0.199 542 E C 2.117 178.716 176.600 -0.003 0.000 1.011 542 E CA 1.481 57.879 56.400 -0.004 0.000 0.815 542 E CB -0.382 29.315 29.700 -0.004 0.000 0.755 542 E HN 0.386 nan 8.360 nan 0.000 0.451 543 Q N 0.078 119.874 119.800 -0.006 0.000 2.045 543 Q HA -0.188 4.154 4.340 0.003 0.000 0.206 543 Q C 2.341 178.339 176.000 -0.004 0.000 0.991 543 Q CA 1.225 57.023 55.803 -0.007 0.000 0.851 543 Q CB -0.275 28.456 28.738 -0.012 0.000 0.911 543 Q HN 0.100 nan 8.270 nan 0.000 0.418 544 L N 1.099 122.319 121.223 -0.005 0.000 2.042 544 L HA -0.222 4.120 4.340 0.003 0.000 0.210 544 L C 2.280 179.152 176.870 0.004 0.000 1.076 544 L CA 1.855 56.693 54.840 -0.003 0.000 0.749 544 L CB -0.566 41.488 42.059 -0.009 0.000 0.893 544 L HN 0.103 nan 8.230 nan 0.000 0.432 545 K N -0.186 120.217 120.400 0.004 0.000 2.147 545 K HA -0.088 4.234 4.320 0.003 0.000 0.205 545 K C 1.883 178.498 176.600 0.024 0.000 1.049 545 K CA 1.643 57.938 56.287 0.012 0.000 0.936 545 K CB -0.391 32.114 32.500 0.008 0.000 0.722 545 K HN 0.269 nan 8.250 nan 0.000 0.446 546 A N -0.070 122.761 122.820 0.019 0.000 1.970 546 A HA 0.020 4.342 4.320 0.003 0.000 0.216 546 A C 2.225 179.831 177.584 0.037 0.000 1.170 546 A CA 1.272 53.324 52.037 0.024 0.000 0.645 546 A CB -0.382 18.625 19.000 0.013 0.000 0.816 546 A HN 0.120 nan 8.150 nan 0.000 0.447 547 V N -0.034 119.900 119.914 0.033 0.000 2.379 547 V HA -0.250 3.872 4.120 0.003 0.000 0.245 547 V C 2.534 178.684 176.094 0.094 0.000 1.044 547 V CA 2.045 64.373 62.300 0.046 0.000 1.036 547 V CB -0.665 31.169 31.823 0.017 0.000 0.664 547 V HN 0.569 nan 8.190 nan 0.000 0.453 548 M N -0.308 119.338 119.600 0.077 0.000 2.446 548 M HA -0.167 4.315 4.480 0.003 0.000 0.263 548 M C 1.594 177.996 176.300 0.169 0.000 1.066 548 M CA 1.473 56.844 55.300 0.119 0.000 1.087 548 M CB -0.476 32.166 32.600 0.070 0.000 1.406 548 M HN 0.338 nan 8.290 nan 0.000 0.459 549 D N 0.458 120.930 120.400 0.119 0.000 2.149 549 D HA -0.101 4.541 4.640 0.003 0.000 0.206 549 D C 1.512 177.882 176.300 0.117 0.000 0.967 549 D CA 1.071 55.133 54.000 0.104 0.000 0.848 549 D CB -0.080 40.759 40.800 0.065 0.000 0.998 549 D HN 0.165 nan 8.370 nan 0.000 0.474 550 D N -0.358 120.110 120.400 0.113 0.000 2.092 550 D HA -0.165 4.477 4.640 0.003 0.000 0.193 550 D C 1.681 178.081 176.300 0.167 0.000 0.994 550 D CA 0.620 54.682 54.000 0.104 0.000 0.828 550 D CB -0.353 40.489 40.800 0.069 0.000 0.963 550 D HN 0.103 nan 8.370 nan 0.000 0.450 551 F N 1.411 121.404 119.950 0.071 0.000 2.043 551 F HA -0.248 4.281 4.527 0.004 0.000 0.297 551 F C 2.234 178.123 175.800 0.148 0.000 1.121 551 F CA 1.842 59.927 58.000 0.141 0.000 1.199 551 F CB -0.664 38.383 39.000 0.079 0.000 0.968 551 F HN -0.032 nan 8.300 nan 0.000 0.478 552 A N 0.512 123.470 122.820 0.230 0.000 1.881 552 A HA -0.285 4.037 4.320 0.003 0.000 0.219 552 A C 2.445 180.019 177.584 -0.016 0.000 1.215 552 A CA 2.915 55.009 52.037 0.096 0.000 0.648 552 A CB -1.785 17.289 19.000 0.122 0.000 0.832 552 A HN 0.615 nan 8.150 nan 0.000 0.455 553 A N -1.264 121.574 122.820 0.030 0.000 1.842 553 A HA -0.113 4.209 4.320 0.003 0.000 0.217 553 A C 2.068 179.646 177.584 -0.010 0.000 1.206 553 A CA 1.825 53.870 52.037 0.013 0.000 0.630 553 A CB -1.154 17.872 19.000 0.044 0.000 0.839 553 A HN 0.988 nan 8.150 nan 0.000 0.447 554 F N 0.584 120.434 119.950 -0.167 0.000 2.080 554 F HA -0.393 4.136 4.527 0.003 0.000 0.289 554 F C 2.111 177.743 175.800 -0.280 0.000 1.101 554 F CA 2.621 60.484 58.000 -0.229 0.000 1.267 554 F CB -0.491 38.307 39.000 -0.336 0.000 0.943 554 F HN 0.127 nan 8.300 nan 0.000 0.508 555 V N 0.340 119.878 119.914 -0.628 0.000 2.214 555 V HA -0.338 3.784 4.120 0.003 0.000 0.244 555 V C 2.767 178.642 176.094 -0.364 0.000 1.045 555 V CA 2.938 64.840 62.300 -0.664 0.000 0.993 555 V CB -1.849 29.644 31.823 -0.549 0.000 0.633 555 V HN 0.616 nan 8.190 nan 0.000 0.449 556 E N 0.113 120.176 120.200 -0.227 0.000 2.164 556 E HA -0.422 3.930 4.350 0.003 0.000 0.206 556 E C 2.347 178.871 176.600 -0.127 0.000 1.032 556 E CA 2.840 59.155 56.400 -0.141 0.000 0.832 556 E CB -0.915 28.733 29.700 -0.087 0.000 0.742 556 E HN 0.491 nan 8.360 nan 0.000 0.460 557 K N -0.724 119.600 120.400 -0.127 0.000 1.984 557 K HA -0.082 4.240 4.320 0.003 0.000 0.209 557 K C 2.389 178.921 176.600 -0.113 0.000 1.046 557 K CA 1.248 57.483 56.287 -0.087 0.000 0.934 557 K CB -1.206 31.272 32.500 -0.037 0.000 0.717 557 K HN 0.776 nan 8.250 nan 0.000 0.438 558 c N 0.276 118.760 118.600 -0.194 0.000 2.422 558 c HA 0.016 4.588 4.570 0.003 0.000 0.279 558 c C 2.901 176.895 174.090 -0.160 0.000 1.305 558 c CA 0.832 57.046 56.329 -0.192 0.000 1.757 558 c CB -1.349 40.962 42.510 -0.333 0.000 1.962 558 c HN 0.758 nan 8.230 nan 0.000 0.499 559 c N -0.297 118.196 118.600 -0.178 0.000 2.481 559 c HA -0.005 4.567 4.570 0.003 0.000 0.275 559 c C 1.977 176.016 174.090 -0.085 0.000 1.419 559 c CA 0.726 56.980 56.329 -0.126 0.000 1.773 559 c CB -1.126 41.304 42.510 -0.134 0.000 1.862 559 c HN 0.579 nan 8.230 nan 0.000 0.530 560 K N 0.446 120.798 120.400 -0.080 0.000 3.135 560 K HA 0.693 5.015 4.320 0.003 0.000 0.210 560 K C -0.477 176.097 176.600 -0.044 0.000 1.176 560 K CA 0.431 56.685 56.287 -0.055 0.000 1.064 560 K CB -0.056 32.413 32.500 -0.051 0.000 1.009 560 K HN 0.476 nan 8.250 nan 0.000 0.472 561 A N 0.688 123.483 122.820 -0.043 0.000 2.566 561 A HA 0.512 4.834 4.320 0.003 0.000 0.297 561 A C -1.172 176.399 177.584 -0.023 0.000 1.059 561 A CA -0.834 51.185 52.037 -0.029 0.000 0.691 561 A CB 0.867 19.850 19.000 -0.028 0.000 1.282 561 A HN 0.480 nan 8.150 nan 0.000 0.401 562 D N 1.491 121.883 120.400 -0.013 0.000 2.443 562 D HA 0.148 4.790 4.640 0.003 0.000 0.234 562 D C 0.038 176.336 176.300 -0.004 0.000 1.172 562 D CA 1.624 55.619 54.000 -0.008 0.000 0.878 562 D CB 0.433 41.231 40.800 -0.003 0.000 1.204 562 D HN 0.705 nan 8.370 nan 0.000 0.453 563 D N 0.845 121.245 120.400 -0.000 0.000 3.205 563 D HA -0.189 4.453 4.640 0.003 0.000 0.227 563 D C 0.847 177.150 176.300 0.005 0.000 1.171 563 D CA 0.315 54.319 54.000 0.007 0.000 0.929 563 D CB 0.015 40.822 40.800 0.012 0.000 0.900 563 D HN 0.277 nan 8.370 nan 0.000 0.404 564 K N 2.349 122.749 120.400 -0.001 0.000 1.985 564 K HA -0.192 4.130 4.320 0.003 0.000 0.210 564 K C 1.788 178.394 176.600 0.011 0.000 1.047 564 K CA 1.545 57.826 56.287 -0.010 0.000 0.932 564 K CB -0.379 32.112 32.500 -0.016 0.000 0.716 564 K HN 0.425 nan 8.250 nan 0.000 0.439 565 E N 0.797 121.017 120.200 0.033 0.000 2.113 565 E HA -0.261 4.091 4.350 0.003 0.000 0.210 565 E C 2.183 178.818 176.600 0.058 0.000 1.040 565 E CA 3.007 59.443 56.400 0.060 0.000 0.847 565 E CB -0.790 28.948 29.700 0.064 0.000 0.755 565 E HN 0.542 nan 8.360 nan 0.000 0.459 566 T N -0.197 114.385 114.554 0.047 0.000 2.674 566 T HA -0.228 4.124 4.350 0.003 0.000 0.265 566 T C 2.322 177.058 174.700 0.060 0.000 1.039 566 T CA 2.147 64.276 62.100 0.049 0.000 1.150 566 T CB -1.350 nan 68.868 nan 0.000 0.864 566 T HN 0.377 nan 8.240 nan 0.000 0.427 567 c N 0.383 119.013 118.600 0.049 0.000 2.336 567 c HA -0.066 4.506 4.570 0.003 0.000 0.275 567 c C 2.757 176.926 174.090 0.131 0.000 1.175 567 c CA 2.371 58.739 56.329 0.065 0.000 1.771 567 c CB -1.621 40.897 42.510 0.014 0.000 2.030 567 c HN 0.657 nan 8.230 nan 0.000 0.442 568 F N -0.151 119.848 119.950 0.081 0.000 2.494 568 F HA 0.327 4.856 4.527 0.003 0.000 0.298 568 F C 2.281 178.227 175.800 0.243 0.000 1.106 568 F CA 1.717 59.815 58.000 0.162 0.000 1.452 568 F CB -1.188 37.821 39.000 0.017 0.000 1.085 568 F HN 0.635 nan 8.300 nan 0.000 0.569 569 A N -0.738 122.166 122.820 0.140 0.000 2.140 569 A HA 0.412 4.734 4.320 0.003 0.000 0.209 569 A C 1.870 179.512 177.584 0.098 0.000 1.181 569 A CA 1.360 53.457 52.037 0.099 0.000 0.824 569 A CB -0.792 18.248 19.000 0.066 0.000 0.879 569 A HN 0.696 nan 8.150 nan 0.000 0.480 570 E N 0.321 120.584 120.200 0.106 0.000 2.075 570 E HA -0.050 4.302 4.350 0.003 0.000 0.190 570 E C 1.713 178.359 176.600 0.076 0.000 0.969 570 E CA 1.028 57.475 56.400 0.078 0.000 0.815 570 E CB -0.492 29.248 29.700 0.068 0.000 0.776 570 E HN 0.487 nan 8.360 nan 0.000 0.457 571 E N 0.409 120.688 120.200 0.133 0.000 2.158 571 E HA -0.013 4.339 4.350 0.003 0.000 0.191 571 E C 2.395 178.923 176.600 -0.121 0.000 0.982 571 E CA 0.842 57.282 56.400 0.067 0.000 0.823 571 E CB -0.576 29.277 29.700 0.255 0.000 0.766 571 E HN 0.500 nan 8.360 nan 0.000 0.468 572 G N 1.847 110.652 108.800 0.007 0.000 2.469 572 G HA2 -0.398 3.564 3.960 0.003 0.000 0.220 572 G HA3 -0.398 3.564 3.960 0.003 0.000 0.220 572 G C 1.899 176.777 174.900 -0.036 0.000 1.136 572 G CA 2.193 47.267 45.100 -0.042 0.000 0.759 572 G HN 0.476 nan 8.290 nan 0.000 0.562 573 K N 0.807 121.207 120.400 -0.000 0.000 2.001 573 K HA 0.057 4.379 4.320 0.003 0.000 0.208 573 K C 2.336 178.916 176.600 -0.033 0.000 1.048 573 K CA 1.750 58.040 56.287 0.005 0.000 0.932 573 K CB -0.683 nan 32.500 nan 0.000 0.715 573 K HN 0.436 nan 8.250 nan 0.000 0.437 574 K N -0.254 120.115 120.400 -0.053 0.000 2.009 574 K HA -0.099 4.223 4.320 0.003 0.000 0.210 574 K C 2.265 178.809 176.600 -0.094 0.000 1.049 574 K CA 1.451 57.700 56.287 -0.063 0.000 0.929 574 K CB -0.425 32.043 32.500 -0.053 0.000 0.714 574 K HN 0.244 nan 8.250 nan 0.000 0.440 575 L N 1.169 122.289 121.223 -0.172 0.000 1.970 575 L HA -0.205 4.137 4.340 0.003 0.000 0.212 575 L C 2.115 178.931 176.870 -0.090 0.000 1.071 575 L CA 1.612 56.345 54.840 -0.178 0.000 0.751 575 L CB -0.540 41.289 42.059 -0.383 0.000 0.889 575 L HN -0.066 nan 8.230 nan 0.000 0.432 576 V N 0.170 120.051 119.914 -0.056 0.000 2.469 576 V HA -0.326 3.796 4.120 0.003 0.000 0.251 576 V C 2.717 178.776 176.094 -0.059 0.000 1.064 576 V CA 1.712 64.012 62.300 -0.000 0.000 1.066 576 V CB -1.424 30.465 31.823 0.110 0.000 0.667 576 V HN 0.660 nan 8.190 nan 0.000 0.461 577 A N -0.268 122.515 122.820 -0.063 0.000 1.874 577 A HA 0.052 4.374 4.320 0.003 0.000 0.214 577 A C 2.429 179.967 177.584 -0.076 0.000 1.189 577 A CA 1.676 53.666 52.037 -0.080 0.000 0.615 577 A CB -0.767 18.198 19.000 -0.058 0.000 0.830 577 A HN 0.526 nan 8.150 nan 0.000 0.443 578 A N -0.342 122.441 122.820 -0.062 0.000 1.858 578 A HA -0.087 4.235 4.320 0.003 0.000 0.216 578 A C 2.451 180.004 177.584 -0.053 0.000 1.190 578 A CA 2.169 54.175 52.037 -0.052 0.000 0.617 578 A CB -1.034 17.939 19.000 -0.044 0.000 0.827 578 A HN 0.441 nan 8.150 nan 0.000 0.443 579 S N -0.303 115.365 115.700 -0.054 0.000 2.370 579 S HA -0.237 4.235 4.470 0.003 0.000 0.226 579 S C 2.075 176.635 174.600 -0.067 0.000 1.033 579 S CA 1.634 59.803 58.200 -0.051 0.000 1.011 579 S CB -0.391 62.780 63.200 -0.048 0.000 0.852 579 S HN 0.670 nan 8.310 nan 0.000 0.457 580 Q N 0.250 119.994 119.800 -0.093 0.000 2.226 580 Q HA -0.051 4.291 4.340 0.003 0.000 0.204 580 Q C 2.353 178.299 176.000 -0.091 0.000 0.975 580 Q CA 1.269 57.005 55.803 -0.113 0.000 0.866 580 Q CB -0.260 28.359 28.738 -0.198 0.000 0.915 580 Q HN 0.626 nan 8.270 nan 0.000 0.440 581 A N 0.506 123.280 122.820 -0.076 0.000 1.935 581 A HA 0.090 4.412 4.320 0.003 0.000 0.214 581 A C 2.184 179.739 177.584 -0.048 0.000 1.178 581 A CA 1.042 53.042 52.037 -0.061 0.000 0.640 581 A CB -0.389 18.579 19.000 -0.053 0.000 0.825 581 A HN 0.349 nan 8.150 nan 0.000 0.447 582 A N -0.500 122.294 122.820 -0.044 0.000 2.121 582 A HA 0.154 4.476 4.320 0.003 0.000 0.218 582 A C 1.785 179.348 177.584 -0.036 0.000 1.154 582 A CA 1.139 53.156 52.037 -0.034 0.000 0.679 582 A CB -0.409 18.575 19.000 -0.027 0.000 0.795 582 A HN 0.458 nan 8.150 nan 0.000 0.458 583 L N -1.493 119.702 121.223 -0.046 0.000 2.693 583 L HA 0.319 4.661 4.340 0.003 0.000 0.235 583 L C 1.339 178.173 176.870 -0.060 0.000 1.127 583 L CA 0.088 54.898 54.840 -0.050 0.000 0.914 583 L CB -0.645 41.381 42.059 -0.056 0.000 1.193 583 L HN 0.497 nan 8.230 nan 0.000 0.502 584 G N 0.000 108.765 108.800 -0.058 0.000 5.446 584 G HA2 0.000 3.962 3.960 0.003 0.000 0.244 584 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 584 G CA 0.000 45.065 45.100 -0.058 0.000 0.502 584 G HN 0.000 nan 8.290 nan 0.000 0.925