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 1bm0_1_B DATA FIRST_RESID 5 DATA SEQUENCE SEVAHRFKDL GEENFKALVL IAFAQYLQQC PFEDHVKLVN EVTEFAKTcV DATA SEQUENCE ADESAENcDK SLHTLFGDKL cTVATLRETY GEMADccAKQ EPERNEcFLQ DATA SEQUENCE HKDDNPNLPR LVRPEVDVMc TAFHDNEETF LKKYLYEIAR RHPYFYAPEL DATA SEQUENCE LFFAKRYKAA FTEccQAADK AAcLLPKLDE LRDEGKASSA KQRLKcASLQ DATA SEQUENCE KFGERAFKAW AVARLSQRFP KAEFAEVSKL VTDLTKVHTE ccHGDLLEcA DATA SEQUENCE DDRADLAKYI cENQDSISSK LKEccEKPLL EKSHcIAEVE NDEMPADLPS DATA SEQUENCE LAADFVESKD VcKNYAEAKD VFLGMFLYEY ARRHPDYSVV LLLRLAKTYE DATA SEQUENCE TTLEKccAAA DPHEcYAKVF DEFKPLVEEP QNLIKQNcEL FEQLGEYKFQ DATA SEQUENCE NALLVRYTKK VPQVSTPTLV EVSRNLGKVG SKccKHPEAK RMPcAEDYLS DATA SEQUENCE VVLNQLcVLH EKTPVSDRVT KccTESLVNR RPcFSALEVD ETYVPKEFNA DATA SEQUENCE ETFTFHADIc TLSEKERQIK KQTALVELVK HKPKATKEQL KAVMDDFAAF DATA SEQUENCE VEKccKADDK ETcFAEEGKK LVAASQAA 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.648 174.600 0.079 0.000 1.055 5 S CA 0.000 58.228 58.200 0.046 0.000 1.107 5 S CB 0.000 63.219 63.200 0.032 0.000 0.593 6 E N 3.479 123.739 120.200 0.101 0.000 2.140 6 E HA 0.070 4.417 4.350 -0.006 0.000 0.191 6 E C 1.810 178.536 176.600 0.210 0.000 0.973 6 E CA 1.446 57.938 56.400 0.154 0.000 0.829 6 E CB -0.051 29.711 29.700 0.103 0.000 0.781 6 E HN 0.507 nan 8.360 nan 0.000 0.466 7 V N 0.392 120.429 119.914 0.206 0.000 2.392 7 V HA -0.263 3.853 4.120 -0.006 0.000 0.249 7 V C 2.052 178.299 176.094 0.256 0.000 1.059 7 V CA 2.212 64.696 62.300 0.307 0.000 1.051 7 V CB -0.559 31.505 31.823 0.402 0.000 0.658 7 V HN 0.441 nan 8.190 nan 0.000 0.455 8 A N -0.874 122.030 122.820 0.139 0.000 1.841 8 A HA -0.268 4.048 4.320 -0.006 0.000 0.214 8 A C 2.227 179.906 177.584 0.159 0.000 1.195 8 A CA 1.920 53.988 52.037 0.052 0.000 0.611 8 A CB -1.250 17.747 19.000 -0.006 0.000 0.835 8 A HN 0.806 nan 8.150 nan 0.000 0.443 9 H N -0.320 118.799 119.070 0.081 0.000 2.252 9 H HA -0.199 4.354 4.556 -0.006 0.000 0.292 9 H C 2.298 177.713 175.328 0.144 0.000 1.082 9 H CA 2.067 58.169 56.048 0.091 0.000 1.229 9 H CB -0.058 29.744 29.762 0.068 0.000 1.353 9 H HN 0.242 nan 8.280 nan 0.000 0.488 10 R N 0.090 120.601 120.500 0.018 0.000 2.103 10 R HA -0.171 4.165 4.340 -0.006 0.000 0.242 10 R C 2.417 178.818 176.300 0.170 0.000 1.142 10 R CA 1.185 57.290 56.100 0.007 0.000 0.960 10 R CB -1.550 28.844 30.300 0.156 0.000 0.858 10 R HN 0.372 nan 8.270 nan 0.000 0.439 11 F N 2.145 122.170 119.950 0.126 0.000 2.065 11 F HA -0.257 4.267 4.527 -0.006 0.000 0.298 11 F C 2.148 177.907 175.800 -0.068 0.000 1.112 11 F CA 1.741 59.694 58.000 -0.077 0.000 1.212 11 F CB -0.239 38.478 39.000 -0.472 0.000 0.975 11 F HN -0.065 nan 8.300 nan 0.000 0.476 12 K N -0.258 120.317 120.400 0.292 0.000 2.032 12 K HA -0.216 4.101 4.320 -0.006 0.000 0.209 12 K C 1.753 178.391 176.600 0.063 0.000 1.048 12 K CA 1.898 58.290 56.287 0.175 0.000 0.927 12 K CB -0.429 32.137 32.500 0.111 0.000 0.712 12 K HN 0.259 nan 8.250 nan 0.000 0.441 13 D N 0.465 120.851 120.400 -0.023 0.000 2.144 13 D HA -0.085 4.552 4.640 -0.006 0.000 0.200 13 D C 1.689 177.966 176.300 -0.039 0.000 0.978 13 D CA 0.999 54.960 54.000 -0.065 0.000 0.833 13 D CB 0.083 40.767 40.800 -0.193 0.000 0.961 13 D HN 0.150 nan 8.370 nan 0.000 0.470 14 L N -0.912 120.289 121.223 -0.036 0.000 2.513 14 L HA 0.293 4.629 4.340 -0.006 0.000 0.222 14 L C 0.912 177.735 176.870 -0.079 0.000 1.096 14 L CA 0.069 54.883 54.840 -0.044 0.000 0.857 14 L CB -0.296 41.749 42.059 -0.024 0.000 1.026 14 L HN 0.026 nan 8.230 nan 0.000 0.469 15 G N 1.407 110.135 108.800 -0.119 0.000 2.778 15 G HA2 -0.277 3.679 3.960 -0.006 0.000 0.686 15 G HA3 -0.277 3.679 3.960 -0.006 0.000 0.686 15 G C 0.469 175.148 174.900 -0.369 0.000 1.309 15 G CA 0.247 45.252 45.100 -0.159 0.000 0.904 15 G HN 0.397 nan 8.290 nan 0.000 0.593 16 E N 0.631 120.531 120.200 -0.500 0.000 2.086 16 E HA -0.260 4.086 4.350 -0.006 0.000 0.205 16 E C 2.121 178.612 176.600 -0.181 0.000 1.027 16 E CA 2.214 58.294 56.400 -0.533 0.000 0.830 16 E CB -0.153 29.490 29.700 -0.095 0.000 0.751 16 E HN 0.798 nan 8.360 nan 0.000 0.456 17 E N 0.104 120.254 120.200 -0.084 0.000 2.055 17 E HA -0.270 4.077 4.350 -0.006 0.000 0.209 17 E C 2.081 178.655 176.600 -0.042 0.000 1.036 17 E CA 1.724 58.105 56.400 -0.032 0.000 0.849 17 E CB -0.337 29.356 29.700 -0.012 0.000 0.767 17 E HN 0.336 nan 8.360 nan 0.000 0.461 18 N N 0.440 119.105 118.700 -0.058 0.000 2.080 18 N HA -0.144 4.593 4.740 -0.006 0.000 0.189 18 N C 1.638 177.086 175.510 -0.103 0.000 1.036 18 N CA 0.855 53.863 53.050 -0.069 0.000 0.846 18 N CB -0.706 37.746 38.487 -0.060 0.000 1.015 18 N HN 0.119 nan 8.380 nan 0.000 0.423 19 F N 2.061 121.846 119.950 -0.274 0.000 2.120 19 F HA -0.194 4.329 4.527 -0.006 0.000 0.300 19 F C 2.158 177.808 175.800 -0.250 0.000 1.095 19 F CA 1.608 59.425 58.000 -0.305 0.000 1.249 19 F CB -0.141 38.513 39.000 -0.577 0.000 0.995 19 F HN -0.047 nan 8.300 nan 0.000 0.480 20 K N -0.305 120.124 120.400 0.049 0.000 2.283 20 K HA -0.062 4.255 4.320 -0.006 0.000 0.202 20 K C 2.043 178.550 176.600 -0.155 0.000 1.048 20 K CA 0.892 57.182 56.287 0.005 0.000 0.948 20 K CB -0.235 32.297 32.500 0.053 0.000 0.742 20 K HN 0.391 nan 8.250 nan 0.000 0.458 21 A N 0.442 123.164 122.820 -0.164 0.000 1.911 21 A HA 0.040 4.356 4.320 -0.006 0.000 0.212 21 A C 1.894 179.329 177.584 -0.249 0.000 1.189 21 A CA 0.434 52.372 52.037 -0.164 0.000 0.639 21 A CB -0.268 18.671 19.000 -0.102 0.000 0.839 21 A HN 0.199 nan 8.150 nan 0.000 0.449 22 L N -0.165 120.878 121.223 -0.300 0.000 2.141 22 L HA -0.128 4.208 4.340 -0.006 0.000 0.209 22 L C 2.406 178.989 176.870 -0.477 0.000 1.094 22 L CA 0.748 55.386 54.840 -0.337 0.000 0.763 22 L CB -0.427 41.450 42.059 -0.304 0.000 0.908 22 L HN 0.232 nan 8.230 nan 0.000 0.437 23 V N -0.309 119.225 119.914 -0.634 0.000 2.270 23 V HA -0.270 3.846 4.120 -0.006 0.000 0.245 23 V C 2.366 177.962 176.094 -0.830 0.000 1.043 23 V CA 1.477 63.227 62.300 -0.918 0.000 1.014 23 V CB -0.485 30.715 31.823 -1.039 0.000 0.645 23 V HN 0.310 nan 8.190 nan 0.000 0.447 24 L N 0.106 121.010 121.223 -0.532 0.000 2.089 24 L HA -0.211 4.125 4.340 -0.006 0.000 0.213 24 L C 2.127 178.812 176.870 -0.308 0.000 1.079 24 L CA 1.949 56.578 54.840 -0.351 0.000 0.758 24 L CB -0.541 41.421 42.059 -0.162 0.000 0.891 24 L HN 0.252 nan 8.230 nan 0.000 0.433 25 I N -0.801 119.576 120.570 -0.322 0.000 2.163 25 I HA -0.272 3.895 4.170 -0.006 0.000 0.240 25 I C 2.603 178.528 176.117 -0.320 0.000 1.081 25 I CA 1.212 62.348 61.300 -0.273 0.000 1.353 25 I CB -0.755 37.091 38.000 -0.257 0.000 1.054 25 I HN 0.332 nan 8.210 nan 0.000 0.407 26 A N 0.873 123.441 122.820 -0.420 0.000 1.940 26 A HA -0.202 4.115 4.320 -0.006 0.000 0.219 26 A C 2.099 179.476 177.584 -0.346 0.000 1.176 26 A CA 1.619 53.370 52.037 -0.477 0.000 0.631 26 A CB -0.791 17.913 19.000 -0.495 0.000 0.814 26 A HN 0.353 nan 8.150 nan 0.000 0.446 27 F N -0.204 119.417 119.950 -0.549 0.000 2.325 27 F HA 0.061 4.585 4.527 -0.005 0.000 0.299 27 F C 2.726 178.128 175.800 -0.664 0.000 1.090 27 F CA 0.082 57.722 58.000 -0.600 0.000 1.392 27 F CB -1.165 37.406 39.000 -0.714 0.000 1.053 27 F HN 0.297 nan 8.300 nan 0.000 0.521 28 A N -0.345 122.284 122.820 -0.317 0.000 1.968 28 A HA -0.147 4.170 4.320 -0.006 0.000 0.217 28 A C 2.073 179.608 177.584 -0.081 0.000 1.169 28 A CA 1.058 53.019 52.037 -0.127 0.000 0.638 28 A CB -0.525 18.464 19.000 -0.018 0.000 0.812 28 A HN 0.422 nan 8.150 nan 0.000 0.446 29 Q N -2.064 117.648 119.800 -0.147 0.000 2.354 29 Q HA -0.004 4.333 4.340 -0.006 0.000 0.203 29 Q C 1.429 177.420 176.000 -0.015 0.000 0.933 29 Q CA 0.590 56.319 55.803 -0.124 0.000 0.901 29 Q CB -0.044 28.568 28.738 -0.210 0.000 1.007 29 Q HN 0.739 nan 8.270 nan 0.000 0.495 30 Y N 0.308 120.506 120.300 -0.170 0.000 2.269 30 Y HA 0.120 4.667 4.550 -0.005 0.000 0.294 30 Y C 1.035 176.820 175.900 -0.192 0.000 1.120 30 Y CA 0.343 58.299 58.100 -0.241 0.000 1.159 30 Y CB 0.457 38.660 38.460 -0.428 0.000 1.024 30 Y HN -0.041 nan 8.280 nan 0.000 0.532 31 L N 1.306 122.559 121.223 0.050 0.000 2.502 31 L HA 0.246 4.583 4.340 -0.006 0.000 0.247 31 L C 0.637 177.649 176.870 0.237 0.000 1.180 31 L CA -0.067 54.839 54.840 0.110 0.000 0.956 31 L CB 0.908 43.024 42.059 0.095 0.000 1.282 31 L HN 0.046 nan 8.230 nan 0.000 0.470 32 Q N 0.049 119.937 119.800 0.146 0.000 2.541 32 Q HA -0.085 4.252 4.340 -0.006 0.000 0.215 32 Q C 1.078 177.148 176.000 0.117 0.000 0.977 32 Q CA 0.711 56.572 55.803 0.097 0.000 0.934 32 Q CB 0.308 29.064 28.738 0.030 0.000 0.988 32 Q HN 0.608 nan 8.270 nan 0.000 0.521 33 Q N -0.994 118.922 119.800 0.193 0.000 2.350 33 Q HA 0.084 4.420 4.340 -0.006 0.000 0.225 33 Q C 0.285 176.409 176.000 0.206 0.000 0.878 33 Q CA 0.067 55.967 55.803 0.162 0.000 0.935 33 Q CB 0.514 29.329 28.738 0.130 0.000 1.099 33 Q HN 0.224 nan 8.270 nan 0.000 0.527 34 C N 4.027 123.493 119.300 0.277 0.000 2.629 34 C HA 0.271 4.727 4.460 -0.006 0.000 0.410 34 C C -1.955 173.030 174.990 -0.009 0.000 1.339 34 C CA -1.218 57.867 59.018 0.111 0.000 1.810 34 C CB -0.094 27.575 27.740 -0.118 0.000 2.549 34 C HN 0.157 nan 8.230 nan 0.000 0.589 35 P HA -0.044 nan 4.420 nan 0.000 0.266 35 P C 0.555 177.706 177.300 -0.247 0.000 1.186 35 P CA 0.317 63.404 63.100 -0.021 0.000 0.767 35 P CB 0.225 31.904 31.700 -0.033 0.000 0.820 36 F N 3.412 123.022 119.950 -0.567 0.000 2.091 36 F HA -0.270 4.253 4.527 -0.006 0.000 0.299 36 F C 1.840 177.404 175.800 -0.393 0.000 1.103 36 F CA 1.954 59.433 58.000 -0.869 0.000 1.228 36 F CB -0.554 37.967 39.000 -0.800 0.000 0.984 36 F HN 0.321 nan 8.300 nan 0.000 0.477 37 E N 0.506 120.532 120.200 -0.289 0.000 2.114 37 E HA -0.242 4.105 4.350 -0.006 0.000 0.199 37 E C 1.836 178.264 176.600 -0.287 0.000 1.008 37 E CA 1.915 58.155 56.400 -0.267 0.000 0.810 37 E CB -0.516 29.135 29.700 -0.081 0.000 0.739 37 E HN 0.505 nan 8.360 nan 0.000 0.456 38 D N -0.974 119.270 120.400 -0.259 0.000 2.137 38 D HA -0.085 4.552 4.640 -0.006 0.000 0.202 38 D C 1.827 178.039 176.300 -0.146 0.000 0.970 38 D CA 0.874 54.757 54.000 -0.194 0.000 0.837 38 D CB -0.358 40.338 40.800 -0.174 0.000 0.981 38 D HN 0.237 nan 8.370 nan 0.000 0.475 39 H N 0.600 119.568 119.070 -0.170 0.000 2.319 39 H HA -0.057 4.495 4.556 -0.005 0.000 0.299 39 H C 2.373 177.622 175.328 -0.133 0.000 1.092 39 H CA 0.616 56.617 56.048 -0.078 0.000 1.302 39 H CB -0.604 29.129 29.762 -0.049 0.000 1.373 39 H HN -0.016 nan 8.280 nan 0.000 0.497 40 V N 1.260 121.035 119.914 -0.231 0.000 2.324 40 V HA -0.319 3.798 4.120 -0.006 0.000 0.250 40 V C 2.581 178.602 176.094 -0.122 0.000 1.060 40 V CA 2.291 64.422 62.300 -0.282 0.000 1.042 40 V CB -0.522 30.988 31.823 -0.522 0.000 0.650 40 V HN 0.385 nan 8.190 nan 0.000 0.450 41 K N 0.239 120.579 120.400 -0.100 0.000 1.978 41 K HA -0.196 4.121 4.320 -0.006 0.000 0.214 41 K C 2.175 178.792 176.600 0.028 0.000 1.049 41 K CA 1.980 58.246 56.287 -0.035 0.000 0.939 41 K CB -0.458 32.020 32.500 -0.037 0.000 0.721 41 K HN 0.363 nan 8.250 nan 0.000 0.441 42 L N 0.971 122.237 121.223 0.072 0.000 2.064 42 L HA -0.279 4.058 4.340 -0.006 0.000 0.216 42 L C 2.476 179.470 176.870 0.206 0.000 1.077 42 L CA 1.462 56.403 54.840 0.168 0.000 0.766 42 L CB -0.605 41.610 42.059 0.260 0.000 0.890 42 L HN 0.157 nan 8.230 nan 0.000 0.435 43 V N -0.374 119.609 119.914 0.114 0.000 2.427 43 V HA -0.225 3.892 4.120 -0.006 0.000 0.248 43 V C 2.162 178.290 176.094 0.057 0.000 1.051 43 V CA 1.782 64.074 62.300 -0.013 0.000 1.048 43 V CB -0.692 31.059 31.823 -0.120 0.000 0.666 43 V HN 0.474 nan 8.190 nan 0.000 0.456 44 N N 0.387 119.118 118.700 0.051 0.000 2.120 44 N HA -0.153 4.584 4.740 -0.006 0.000 0.188 44 N C 1.824 177.401 175.510 0.112 0.000 1.024 44 N CA 1.464 54.555 53.050 0.069 0.000 0.852 44 N CB -0.282 38.226 38.487 0.034 0.000 1.003 44 N HN 0.600 nan 8.380 nan 0.000 0.424 45 E N 0.323 120.593 120.200 0.116 0.000 2.023 45 E HA -0.112 4.234 4.350 -0.006 0.000 0.196 45 E C 1.976 178.709 176.600 0.222 0.000 1.003 45 E CA 1.124 57.612 56.400 0.145 0.000 0.809 45 E CB -0.159 29.615 29.700 0.122 0.000 0.755 45 E HN 0.023 nan 8.360 nan 0.000 0.449 46 V N 1.415 121.474 119.914 0.241 0.000 2.332 46 V HA -0.291 3.826 4.120 -0.006 0.000 0.248 46 V C 2.310 178.671 176.094 0.445 0.000 1.055 46 V CA 2.252 64.761 62.300 0.349 0.000 1.038 46 V CB -0.806 31.194 31.823 0.294 0.000 0.651 46 V HN 0.376 nan 8.190 nan 0.000 0.450 47 T N -0.784 113.990 114.554 0.367 0.000 2.674 47 T HA -0.236 4.111 4.350 -0.006 0.000 0.265 47 T C 1.841 176.660 174.700 0.198 0.000 1.039 47 T CA 1.702 64.018 62.100 0.361 0.000 1.150 47 T CB -0.262 68.786 68.868 0.300 0.000 0.864 47 T HN 0.617 nan 8.240 nan 0.000 0.427 48 E N 0.157 120.456 120.200 0.165 0.000 2.048 48 E HA -0.229 4.118 4.350 -0.006 0.000 0.202 48 E C 1.953 178.589 176.600 0.059 0.000 1.021 48 E CA 1.515 57.968 56.400 0.088 0.000 0.825 48 E CB -0.299 29.464 29.700 0.105 0.000 0.756 48 E HN 0.460 nan 8.360 nan 0.000 0.454 49 F N 1.061 121.037 119.950 0.043 0.000 2.065 49 F HA -0.271 4.253 4.527 -0.006 0.000 0.298 49 F C 2.143 177.934 175.800 -0.015 0.000 1.112 49 F CA 2.000 60.023 58.000 0.038 0.000 1.212 49 F CB -0.771 38.292 39.000 0.106 0.000 0.975 49 F HN 0.114 nan 8.300 nan 0.000 0.476 50 A N 0.230 123.068 122.820 0.029 0.000 1.917 50 A HA -0.282 4.034 4.320 -0.006 0.000 0.219 50 A C 2.240 179.500 177.584 -0.538 0.000 1.182 50 A CA 2.245 54.162 52.037 -0.201 0.000 0.633 50 A CB -0.834 18.101 19.000 -0.109 0.000 0.819 50 A HN 0.528 nan 8.150 nan 0.000 0.448 51 K N -0.638 119.433 120.400 -0.549 0.000 2.103 51 K HA -0.135 4.182 4.320 -0.006 0.000 0.207 51 K C 2.138 178.494 176.600 -0.406 0.000 1.048 51 K CA 1.837 57.779 56.287 -0.575 0.000 0.930 51 K CB -0.486 31.790 32.500 -0.374 0.000 0.716 51 K HN 0.761 nan 8.250 nan 0.000 0.444 52 T N -1.483 112.854 114.554 -0.363 0.000 2.962 52 T HA -0.110 4.237 4.350 -0.006 0.000 0.270 52 T C 2.110 176.598 174.700 -0.353 0.000 1.088 52 T CA 1.007 62.916 62.100 -0.317 0.000 1.127 52 T CB -0.595 68.100 68.868 -0.288 0.000 0.883 52 T HN 0.194 nan 8.240 nan 0.000 0.493 53 c N 0.688 119.021 118.600 -0.445 0.000 2.485 53 c HA 0.227 4.793 4.570 -0.006 0.000 0.278 53 c C 2.863 176.809 174.090 -0.241 0.000 1.356 53 c CA -0.205 55.920 56.329 -0.340 0.000 1.747 53 c CB -0.880 41.429 42.510 -0.335 0.000 2.001 53 c HN 0.445 nan 8.230 nan 0.000 0.501 54 V N 1.581 121.315 119.914 -0.299 0.000 2.515 54 V HA -0.160 3.956 4.120 -0.006 0.000 0.250 54 V C 2.637 178.620 176.094 -0.184 0.000 1.058 54 V CA 2.096 64.245 62.300 -0.251 0.000 1.064 54 V CB -1.193 30.398 31.823 -0.387 0.000 0.675 54 V HN 0.582 nan 8.190 nan 0.000 0.461 55 A N -0.095 122.606 122.820 -0.197 0.000 1.832 55 A HA -0.121 4.195 4.320 -0.006 0.000 0.214 55 A C 1.239 178.756 177.584 -0.112 0.000 1.200 55 A CA 1.814 53.765 52.037 -0.143 0.000 0.610 55 A CB -0.211 18.702 19.000 -0.145 0.000 0.842 55 A HN 0.549 nan 8.150 nan 0.000 0.444 56 D N -1.872 118.456 120.400 -0.121 0.000 2.620 56 D HA 0.370 5.007 4.640 -0.006 0.000 0.252 56 D C 0.279 176.523 176.300 -0.094 0.000 1.207 56 D CA -0.399 53.547 54.000 -0.089 0.000 0.884 56 D CB 1.148 41.905 40.800 -0.073 0.000 1.262 56 D HN 0.301 nan 8.370 nan 0.000 0.552 57 E N 1.010 121.168 120.200 -0.070 0.000 2.268 57 E HA -0.066 4.280 4.350 -0.006 0.000 0.195 57 E C 0.843 177.420 176.600 -0.038 0.000 0.995 57 E CA 0.694 57.060 56.400 -0.056 0.000 0.836 57 E CB 0.204 29.884 29.700 -0.034 0.000 0.763 57 E HN 0.370 nan 8.360 nan 0.000 0.491 58 S N 0.702 116.381 115.700 -0.035 0.000 2.671 58 S HA 0.257 4.723 4.470 -0.006 0.000 0.220 58 S C 0.741 175.329 174.600 -0.020 0.000 0.951 58 S CA -0.106 58.082 58.200 -0.019 0.000 0.932 58 S CB 0.236 63.426 63.200 -0.017 0.000 0.777 58 S HN 0.257 nan 8.310 nan 0.000 0.508 59 A N 2.116 124.911 122.820 -0.042 0.000 2.275 59 A HA 0.184 4.501 4.320 -0.006 0.000 0.276 59 A C 1.450 179.036 177.584 0.002 0.000 1.232 59 A CA -0.042 51.968 52.037 -0.045 0.000 0.814 59 A CB -0.170 18.763 19.000 -0.112 0.000 1.145 59 A HN 0.367 nan 8.150 nan 0.000 0.508 60 E N -0.491 119.727 120.200 0.030 0.000 1.963 60 E HA -0.221 4.126 4.350 -0.006 0.000 0.215 60 E C 0.402 177.091 176.600 0.148 0.000 0.993 60 E CA 1.748 58.206 56.400 0.097 0.000 0.880 60 E CB -0.196 29.589 29.700 0.142 0.000 0.811 60 E HN 0.643 nan 8.360 nan 0.000 0.539 61 N N -0.200 118.678 118.700 0.297 0.000 2.295 61 N HA 0.056 4.793 4.740 -0.006 0.000 0.221 61 N C 0.644 176.398 175.510 0.406 0.000 1.129 61 N CA -0.005 53.228 53.050 0.306 0.000 0.836 61 N CB 0.077 38.700 38.487 0.227 0.000 1.040 61 N HN 0.226 nan 8.380 nan 0.000 0.494 62 c N 0.878 119.640 118.600 0.270 0.000 2.430 62 c HA -0.071 4.495 4.570 -0.006 0.000 0.288 62 c C 2.104 176.273 174.090 0.133 0.000 1.448 62 c CA 0.383 56.814 56.329 0.170 0.000 1.784 62 c CB -0.747 41.752 42.510 -0.019 0.000 1.776 62 c HN 0.539 nan 8.230 nan 0.000 0.547 63 D N 0.612 121.078 120.400 0.109 0.000 2.305 63 D HA -0.038 4.598 4.640 -0.006 0.000 0.206 63 D C 0.713 177.055 176.300 0.071 0.000 0.974 63 D CA 0.345 54.387 54.000 0.071 0.000 0.871 63 D CB -0.336 40.492 40.800 0.047 0.000 0.947 63 D HN 0.353 nan 8.370 nan 0.000 0.516 64 K N 0.937 121.391 120.400 0.090 0.000 2.455 64 K HA 0.090 4.407 4.320 -0.006 0.000 0.269 64 K C 0.666 177.287 176.600 0.036 0.000 0.972 64 K CA 0.108 56.430 56.287 0.057 0.000 0.938 64 K CB 0.487 33.016 32.500 0.048 0.000 0.931 64 K HN 0.194 nan 8.250 nan 0.000 0.507 65 S N 1.467 117.170 115.700 0.004 0.000 2.610 65 S HA 0.144 4.611 4.470 -0.006 0.000 0.273 65 S C 1.348 175.874 174.600 -0.123 0.000 1.274 65 S CA -0.767 57.413 58.200 -0.034 0.000 1.023 65 S CB 0.674 63.869 63.200 -0.009 0.000 0.962 65 S HN 0.566 nan 8.310 nan 0.000 0.523 66 L N 0.943 122.021 121.223 -0.242 0.000 2.127 66 L HA -0.140 4.196 4.340 -0.006 0.000 0.211 66 L C 2.474 178.947 176.870 -0.662 0.000 1.089 66 L CA 1.347 55.818 54.840 -0.616 0.000 0.757 66 L CB -0.716 40.964 42.059 -0.631 0.000 0.899 66 L HN 0.789 nan 8.230 nan 0.000 0.434 67 H N -0.774 118.147 119.070 -0.248 0.000 2.428 67 H HA -0.072 4.480 4.556 -0.005 0.000 0.296 67 H C 2.335 177.663 175.328 0.001 0.000 1.062 67 H CA 1.476 57.487 56.048 -0.062 0.000 1.350 67 H CB -0.210 29.578 29.762 0.043 0.000 1.403 67 H HN 0.229 nan 8.280 nan 0.000 0.533 68 T N 1.163 115.767 114.554 0.083 0.000 2.639 68 T HA -0.069 4.278 4.350 -0.006 0.000 0.261 68 T C 2.453 177.186 174.700 0.054 0.000 1.053 68 T CA 0.989 63.124 62.100 0.059 0.000 1.158 68 T CB -0.458 68.425 68.868 0.025 0.000 0.863 68 T HN 0.134 nan 8.240 nan 0.000 0.413 69 L N 0.273 121.488 121.223 -0.014 0.000 2.010 69 L HA -0.184 4.153 4.340 -0.006 0.000 0.219 69 L C 2.528 179.561 176.870 0.272 0.000 1.077 69 L CA 1.568 56.419 54.840 0.017 0.000 0.773 69 L CB -0.819 41.210 42.059 -0.050 0.000 0.892 69 L HN 0.210 nan 8.230 nan 0.000 0.436 70 F N 0.125 120.180 119.950 0.175 0.000 2.146 70 F HA -0.056 4.467 4.527 -0.006 0.000 0.298 70 F C 2.547 178.411 175.800 0.108 0.000 1.096 70 F CA 1.007 59.167 58.000 0.266 0.000 1.275 70 F CB -1.839 37.417 39.000 0.426 0.000 1.008 70 F HN 0.039 nan 8.300 nan 0.000 0.480 71 G N -0.230 108.774 108.800 0.340 0.000 2.422 71 G HA2 -0.201 3.755 3.960 -0.006 0.000 0.218 71 G HA3 -0.201 3.755 3.960 -0.006 0.000 0.218 71 G C 1.341 176.314 174.900 0.122 0.000 1.140 71 G CA 0.895 46.143 45.100 0.247 0.000 0.775 71 G HN 0.227 nan 8.290 nan 0.000 0.545 72 D N 0.512 120.964 120.400 0.086 0.000 2.097 72 D HA -0.051 4.586 4.640 -0.006 0.000 0.197 72 D C 2.326 178.621 176.300 -0.007 0.000 0.984 72 D CA 0.975 54.992 54.000 0.028 0.000 0.826 72 D CB -0.131 40.675 40.800 0.011 0.000 0.973 72 D HN 0.169 nan 8.370 nan 0.000 0.460 73 K N 0.651 121.050 120.400 -0.002 0.000 2.057 73 K HA -0.010 4.307 4.320 -0.006 0.000 0.207 73 K C 2.152 178.615 176.600 -0.229 0.000 1.049 73 K CA 0.666 56.911 56.287 -0.069 0.000 0.931 73 K CB -0.476 32.042 32.500 0.030 0.000 0.714 73 K HN 0.093 nan 8.250 nan 0.000 0.440 74 L N -0.344 120.678 121.223 -0.335 0.000 2.056 74 L HA -0.213 4.124 4.340 -0.006 0.000 0.207 74 L C 2.231 178.959 176.870 -0.238 0.000 1.078 74 L CA 1.022 55.599 54.840 -0.437 0.000 0.749 74 L CB -0.359 41.375 42.059 -0.542 0.000 0.901 74 L HN 0.220 nan 8.230 nan 0.000 0.433 75 c N -0.577 117.966 118.600 -0.095 0.000 2.430 75 c HA -0.107 4.459 4.570 -0.006 0.000 0.288 75 c C 2.735 176.786 174.090 -0.066 0.000 1.448 75 c CA 1.123 57.425 56.329 -0.045 0.000 1.784 75 c CB -1.315 41.201 42.510 0.010 0.000 1.776 75 c HN 0.555 nan 8.230 nan 0.000 0.547 76 T N 1.094 115.600 114.554 -0.081 0.000 2.821 76 T HA -0.115 4.232 4.350 -0.006 0.000 0.267 76 T C 1.683 176.350 174.700 -0.055 0.000 1.046 76 T CA 1.884 63.950 62.100 -0.056 0.000 1.139 76 T CB -0.247 68.590 68.868 -0.051 0.000 0.871 76 T HN 0.567 nan 8.240 nan 0.000 0.454 77 V N -1.048 118.805 119.914 -0.101 0.000 3.660 77 V HA 0.619 4.735 4.120 -0.006 0.000 0.276 77 V C 2.301 178.294 176.094 -0.168 0.000 1.317 77 V CA 0.328 62.582 62.300 -0.076 0.000 1.097 77 V CB -0.791 30.983 31.823 -0.081 0.000 0.863 77 V HN 0.368 nan 8.190 nan 0.000 0.438 78 A N 1.342 123.995 122.820 -0.278 0.000 1.970 78 A HA -0.014 4.303 4.320 -0.006 0.000 0.216 78 A C 2.119 179.675 177.584 -0.047 0.000 1.170 78 A CA 1.822 53.610 52.037 -0.415 0.000 0.645 78 A CB -0.980 17.845 19.000 -0.292 0.000 0.816 78 A HN 0.521 nan 8.150 nan 0.000 0.447 79 T N 1.084 115.642 114.554 0.005 0.000 3.139 79 T HA 0.092 4.439 4.350 -0.006 0.000 0.267 79 T C 0.431 175.187 174.700 0.093 0.000 1.164 79 T CA 0.367 62.494 62.100 0.044 0.000 1.075 79 T CB -0.692 68.184 68.868 0.013 0.000 0.904 79 T HN 0.325 nan 8.240 nan 0.000 0.540 80 L N 2.990 124.324 121.223 0.184 0.000 2.328 80 L HA 0.362 4.699 4.340 -0.006 0.000 0.280 80 L C 1.876 178.824 176.870 0.129 0.000 1.111 80 L CA -0.786 54.142 54.840 0.147 0.000 0.909 80 L CB 0.365 42.524 42.059 0.166 0.000 1.277 80 L HN 0.194 nan 8.230 nan 0.000 0.433 81 R N 1.691 122.225 120.500 0.058 0.000 2.103 81 R HA -0.212 4.125 4.340 -0.006 0.000 0.242 81 R C 0.983 177.247 176.300 -0.060 0.000 1.142 81 R CA 1.601 57.711 56.100 0.016 0.000 0.960 81 R CB -0.282 30.018 30.300 0.001 0.000 0.858 81 R HN 0.557 nan 8.270 nan 0.000 0.439 82 E N 0.290 120.444 120.200 -0.075 0.000 2.501 82 E HA -0.103 4.243 4.350 -0.006 0.000 0.203 82 E C 0.579 177.056 176.600 -0.206 0.000 1.072 82 E CA 1.518 57.853 56.400 -0.109 0.000 0.885 82 E CB 0.181 29.832 29.700 -0.081 0.000 0.813 82 E HN 0.618 nan 8.360 nan 0.000 0.556 83 T N -1.862 112.478 114.554 -0.355 0.000 2.980 83 T HA 0.061 4.408 4.350 -0.006 0.000 0.252 83 T C -0.098 173.976 174.700 -1.044 0.000 0.962 83 T CA -0.113 61.524 62.100 -0.770 0.000 0.932 83 T CB 0.321 68.557 68.868 -1.054 0.000 1.188 83 T HN 0.085 nan 8.240 nan 0.000 0.500 84 Y N 1.148 121.430 120.300 -0.030 0.000 2.512 84 Y HA 0.613 5.159 4.550 -0.006 0.000 0.326 84 Y C 1.525 177.390 175.900 -0.059 0.000 1.008 84 Y CA -1.634 56.444 58.100 -0.037 0.000 1.139 84 Y CB -0.034 38.411 38.460 -0.025 0.000 1.137 84 Y HN 0.106 nan 8.280 nan 0.000 0.630 85 G N 1.017 109.820 108.800 0.005 0.000 2.808 85 G HA2 -0.373 3.583 3.960 -0.006 0.000 0.225 85 G HA3 -0.373 3.583 3.960 -0.006 0.000 0.225 85 G C 1.445 176.317 174.900 -0.046 0.000 1.210 85 G CA 1.987 47.074 45.100 -0.021 0.000 0.777 85 G HN 0.578 nan 8.290 nan 0.000 0.640 86 E N -0.477 119.661 120.200 -0.104 0.000 2.031 86 E HA -0.129 4.218 4.350 -0.006 0.000 0.193 86 E C 2.861 179.257 176.600 -0.339 0.000 0.994 86 E CA 1.176 57.414 56.400 -0.270 0.000 0.800 86 E CB -0.203 29.235 29.700 -0.438 0.000 0.752 86 E HN 0.278 nan 8.360 nan 0.000 0.447 87 M N 0.576 120.046 119.600 -0.216 0.000 2.204 87 M HA -0.299 4.178 4.480 -0.006 0.000 0.255 87 M C 2.560 178.828 176.300 -0.052 0.000 1.073 87 M CA 1.843 57.099 55.300 -0.072 0.000 1.084 87 M CB -1.594 31.043 32.600 0.061 0.000 1.289 87 M HN 0.178 nan 8.290 nan 0.000 0.419 88 A N 0.230 123.041 122.820 -0.016 0.000 1.969 88 A HA -0.307 4.009 4.320 -0.006 0.000 0.223 88 A C 1.890 179.438 177.584 -0.061 0.000 1.218 88 A CA 2.635 54.660 52.037 -0.020 0.000 0.667 88 A CB -1.226 17.773 19.000 -0.000 0.000 0.826 88 A HN 0.517 nan 8.150 nan 0.000 0.472 89 D N -0.574 119.778 120.400 -0.080 0.000 2.137 89 D HA -0.181 4.456 4.640 -0.006 0.000 0.189 89 D C 2.018 178.245 176.300 -0.121 0.000 0.998 89 D CA 1.887 55.840 54.000 -0.078 0.000 0.839 89 D CB -0.749 40.021 40.800 -0.050 0.000 0.962 89 D HN 0.556 nan 8.370 nan 0.000 0.446 90 c N -0.003 118.483 118.600 -0.190 0.000 2.401 90 c HA -0.140 4.427 4.570 -0.006 0.000 0.286 90 c C 2.807 176.674 174.090 -0.372 0.000 1.332 90 c CA -0.026 56.078 56.329 -0.375 0.000 1.795 90 c CB -1.428 40.627 42.510 -0.758 0.000 1.922 90 c HN 0.447 nan 8.230 nan 0.000 0.520 91 c N 0.888 119.355 118.600 -0.222 0.000 2.562 91 c HA 0.252 4.819 4.570 -0.006 0.000 0.266 91 c C 2.697 176.728 174.090 -0.100 0.000 1.382 91 c CA 0.656 56.903 56.329 -0.136 0.000 1.742 91 c CB -1.593 40.883 42.510 -0.057 0.000 1.812 91 c HN 0.723 nan 8.230 nan 0.000 0.559 92 A N 0.011 122.769 122.820 -0.103 0.000 2.275 92 A HA 0.143 4.460 4.320 -0.006 0.000 0.212 92 A C 0.891 178.427 177.584 -0.080 0.000 1.201 92 A CA 0.455 52.447 52.037 -0.074 0.000 0.843 92 A CB -0.005 18.958 19.000 -0.063 0.000 0.873 92 A HN 0.627 nan 8.150 nan 0.000 0.492 93 K N -0.462 119.870 120.400 -0.114 0.000 2.210 93 K HA 0.540 4.856 4.320 -0.006 0.000 0.236 93 K C -0.558 175.986 176.600 -0.095 0.000 1.016 93 K CA -0.497 55.724 56.287 -0.109 0.000 0.913 93 K CB 0.759 33.172 32.500 -0.145 0.000 1.141 93 K HN 0.255 nan 8.250 nan 0.000 0.462 94 Q N 0.826 120.580 119.800 -0.077 0.000 2.301 94 Q HA 0.169 4.505 4.340 -0.006 0.000 0.267 94 Q C -0.915 175.051 176.000 -0.056 0.000 1.035 94 Q CA -0.852 54.919 55.803 -0.053 0.000 0.856 94 Q CB 1.728 30.447 28.738 -0.033 0.000 1.337 94 Q HN 0.313 nan 8.270 nan 0.000 0.450 95 E N 2.222 122.403 120.200 -0.033 0.000 2.418 95 E HA -0.002 4.344 4.350 -0.006 0.000 0.261 95 E C -1.641 174.956 176.600 -0.005 0.000 1.070 95 E CA -1.233 55.156 56.400 -0.019 0.000 0.931 95 E CB 0.199 29.916 29.700 0.029 0.000 0.954 95 E HN 0.468 nan 8.360 nan 0.000 0.439 96 P HA 0.060 nan 4.420 nan 0.000 0.249 96 P C 0.342 177.613 177.300 -0.048 0.000 1.229 96 P CA 0.477 63.581 63.100 0.008 0.000 0.788 96 P CB 0.433 32.167 31.700 0.058 0.000 1.072 97 E N 0.363 120.524 120.200 -0.066 0.000 2.268 97 E HA -0.131 4.216 4.350 -0.006 0.000 0.195 97 E C 2.197 178.686 176.600 -0.185 0.000 0.995 97 E CA 0.452 56.790 56.400 -0.103 0.000 0.836 97 E CB -0.139 29.509 29.700 -0.086 0.000 0.763 97 E HN 0.238 nan 8.360 nan 0.000 0.491 98 R N 1.094 121.468 120.500 -0.210 0.000 2.073 98 R HA -0.134 4.202 4.340 -0.006 0.000 0.229 98 R C 2.044 178.047 176.300 -0.494 0.000 1.120 98 R CA 1.561 57.445 56.100 -0.360 0.000 0.967 98 R CB -0.030 30.107 30.300 -0.272 0.000 0.862 98 R HN 0.027 nan 8.270 nan 0.000 0.436 99 N N 0.411 118.924 118.700 -0.311 0.000 2.022 99 N HA -0.180 4.556 4.740 -0.006 0.000 0.194 99 N C 1.414 176.747 175.510 -0.295 0.000 1.057 99 N CA 1.760 54.620 53.050 -0.317 0.000 0.849 99 N CB -0.049 38.179 38.487 -0.431 0.000 1.044 99 N HN 0.132 nan 8.380 nan 0.000 0.424 100 E N 0.156 120.220 120.200 -0.227 0.000 2.236 100 E HA -0.287 4.059 4.350 -0.006 0.000 0.205 100 E C 2.143 178.616 176.600 -0.211 0.000 1.028 100 E CA 0.956 57.255 56.400 -0.167 0.000 0.827 100 E CB -1.017 28.629 29.700 -0.090 0.000 0.735 100 E HN 0.506 nan 8.360 nan 0.000 0.470 101 c N -0.009 118.420 118.600 -0.284 0.000 2.453 101 c HA -0.123 4.444 4.570 -0.006 0.000 0.277 101 c C 2.538 176.447 174.090 -0.301 0.000 1.262 101 c CA 0.206 56.341 56.329 -0.323 0.000 1.718 101 c CB -1.328 40.978 42.510 -0.340 0.000 2.031 101 c HN 0.279 nan 8.230 nan 0.000 0.480 102 F N 1.443 121.229 119.950 -0.274 0.000 2.154 102 F HA -0.078 4.446 4.527 -0.006 0.000 0.301 102 F C 2.118 177.738 175.800 -0.300 0.000 1.087 102 F CA 1.497 59.264 58.000 -0.388 0.000 1.274 102 F CB -0.864 37.586 39.000 -0.917 0.000 1.009 102 F HN 0.242 nan 8.300 nan 0.000 0.485 103 L N -1.077 120.114 121.223 -0.052 0.000 2.418 103 L HA -0.076 4.261 4.340 -0.006 0.000 0.218 103 L C 2.175 179.035 176.870 -0.018 0.000 1.125 103 L CA 0.618 55.463 54.840 0.009 0.000 0.835 103 L CB -0.606 41.452 42.059 -0.002 0.000 0.953 103 L HN 0.158 nan 8.230 nan 0.000 0.454 104 Q N -0.629 119.070 119.800 -0.168 0.000 2.389 104 Q HA -0.118 4.218 4.340 -0.006 0.000 0.204 104 Q C 1.744 177.562 176.000 -0.302 0.000 0.944 104 Q CA 0.708 56.356 55.803 -0.258 0.000 0.908 104 Q CB 0.315 28.795 28.738 -0.431 0.000 1.002 104 Q HN 0.541 nan 8.270 nan 0.000 0.493 105 H N -0.105 118.992 119.070 0.045 0.000 2.595 105 H HA 0.186 4.738 4.556 -0.006 0.000 0.265 105 H C 0.035 175.403 175.328 0.067 0.000 0.953 105 H CA 0.158 56.240 56.048 0.055 0.000 1.197 105 H CB 0.296 30.097 29.762 0.064 0.000 1.438 105 H HN 0.066 nan 8.280 nan 0.000 0.531 106 K N 2.217 122.704 120.400 0.145 0.000 2.530 106 K HA -0.079 4.237 4.320 -0.006 0.000 0.280 106 K C -0.117 176.566 176.600 0.138 0.000 1.004 106 K CA 0.403 56.749 56.287 0.098 0.000 1.071 106 K CB 0.325 32.803 32.500 -0.037 0.000 0.876 106 K HN 0.071 nan 8.250 nan 0.000 0.487 107 D N 2.464 122.928 120.400 0.107 0.000 2.349 107 D HA 0.078 4.715 4.640 -0.006 0.000 0.232 107 D C 0.150 176.497 176.300 0.078 0.000 1.071 107 D CA -0.400 53.654 54.000 0.089 0.000 0.832 107 D CB 1.040 41.875 40.800 0.059 0.000 1.086 107 D HN 0.367 nan 8.370 nan 0.000 0.504 108 D N 2.566 123.020 120.400 0.090 0.000 2.310 108 D HA -0.117 4.519 4.640 -0.006 0.000 0.212 108 D C 0.061 176.356 176.300 -0.010 0.000 0.965 108 D CA 0.790 54.828 54.000 0.063 0.000 0.879 108 D CB 0.207 41.035 40.800 0.046 0.000 0.921 108 D HN 0.422 nan 8.370 nan 0.000 0.510 109 N N 0.142 118.833 118.700 -0.015 0.000 2.710 109 N HA 0.179 4.915 4.740 -0.006 0.000 0.244 109 N C -2.899 172.590 175.510 -0.036 0.000 1.321 109 N CA -1.137 51.887 53.050 -0.044 0.000 0.758 109 N CB 1.473 39.936 38.487 -0.040 0.000 1.284 109 N HN -0.257 nan 8.380 nan 0.000 0.530 110 P HA 0.159 nan 4.420 nan 0.000 0.272 110 P C -0.812 176.464 177.300 -0.040 0.000 1.223 110 P CA -0.334 62.746 63.100 -0.033 0.000 0.784 110 P CB 0.553 32.227 31.700 -0.042 0.000 0.923 111 N N 2.123 120.804 118.700 -0.031 0.000 3.298 111 N HA 0.144 4.880 4.740 -0.006 0.000 0.292 111 N C -0.251 175.240 175.510 -0.032 0.000 1.271 111 N CA 0.107 53.138 53.050 -0.033 0.000 1.184 111 N CB -0.333 38.136 38.487 -0.029 0.000 1.452 111 N HN 0.340 nan 8.380 nan 0.000 0.534 112 L N 0.870 122.070 121.223 -0.039 0.000 2.399 112 L HA 0.475 4.812 4.340 -0.006 0.000 0.265 112 L C -1.531 175.320 176.870 -0.032 0.000 1.089 112 L CA -1.727 53.090 54.840 -0.038 0.000 0.802 112 L CB 0.251 42.275 42.059 -0.058 0.000 1.180 112 L HN 0.025 nan 8.230 nan 0.000 0.454 113 P HA 0.133 nan 4.420 nan 0.000 0.272 113 P C -0.844 176.447 177.300 -0.016 0.000 1.230 113 P CA -0.597 62.494 63.100 -0.015 0.000 0.788 113 P CB 0.407 32.105 31.700 -0.004 0.000 0.949 114 R N 1.962 122.457 120.500 -0.009 0.000 2.489 114 R HA 0.138 4.475 4.340 -0.006 0.000 0.287 114 R C -0.656 175.648 176.300 0.006 0.000 1.053 114 R CA -0.169 55.929 56.100 -0.003 0.000 1.036 114 R CB -0.631 29.671 30.300 0.003 0.000 0.966 114 R HN 0.315 nan 8.270 nan 0.000 0.432 115 L N 6.394 127.623 121.223 0.009 0.000 2.462 115 L HA 0.232 4.569 4.340 -0.006 0.000 0.283 115 L C -0.744 176.150 176.870 0.040 0.000 1.166 115 L CA 0.290 55.142 54.840 0.020 0.000 0.964 115 L CB 0.484 42.555 42.059 0.019 0.000 1.294 115 L HN 0.500 nan 8.230 nan 0.000 0.449 116 V N 6.809 126.746 119.914 0.039 0.000 2.509 116 V HA 0.479 4.596 4.120 -0.006 0.000 0.284 116 V C 0.222 176.356 176.094 0.067 0.000 1.047 116 V CA -0.654 61.675 62.300 0.050 0.000 0.952 116 V CB 1.224 33.071 31.823 0.040 0.000 0.988 116 V HN 0.899 nan 8.190 nan 0.000 0.469 117 R N 6.134 126.683 120.500 0.083 0.000 2.349 117 R HA 0.685 5.022 4.340 -0.006 0.000 0.299 117 R C -2.603 173.755 176.300 0.097 0.000 1.027 117 R CA -1.372 54.793 56.100 0.109 0.000 0.958 117 R CB 0.595 30.978 30.300 0.138 0.000 1.047 117 R HN 0.482 nan 8.270 nan 0.000 0.468 118 P HA 0.139 nan 4.420 nan 0.000 0.302 118 P C -0.764 176.591 177.300 0.092 0.000 1.307 118 P CA -0.797 62.359 63.100 0.093 0.000 0.754 118 P CB 0.465 32.225 31.700 0.102 0.000 1.298 119 E N -0.912 119.332 120.200 0.072 0.000 2.442 119 E HA -0.015 4.332 4.350 -0.006 0.000 0.260 119 E C 0.979 177.620 176.600 0.069 0.000 1.148 119 E CA -0.216 56.218 56.400 0.057 0.000 0.976 119 E CB 0.207 29.933 29.700 0.044 0.000 0.967 119 E HN 0.028 nan 8.360 nan 0.000 0.454 120 V N 1.725 121.663 119.914 0.040 0.000 2.591 120 V HA -0.193 3.924 4.120 -0.006 0.000 0.249 120 V C 1.081 177.192 176.094 0.028 0.000 1.053 120 V CA 1.904 64.219 62.300 0.023 0.000 1.068 120 V CB -0.587 31.219 31.823 -0.028 0.000 0.689 120 V HN 0.584 nan 8.190 nan 0.000 0.462 121 D N 0.516 120.933 120.400 0.029 0.000 2.097 121 D HA -0.161 4.476 4.640 -0.006 0.000 0.195 121 D C 2.107 178.436 176.300 0.048 0.000 0.989 121 D CA 1.379 55.398 54.000 0.033 0.000 0.827 121 D CB -0.599 40.219 40.800 0.029 0.000 0.966 121 D HN 0.279 nan 8.370 nan 0.000 0.456 122 V N 0.825 120.773 119.914 0.057 0.000 2.219 122 V HA -0.327 3.789 4.120 -0.006 0.000 0.248 122 V C 2.424 178.567 176.094 0.082 0.000 1.053 122 V CA 1.922 64.265 62.300 0.071 0.000 1.009 122 V CB -0.602 31.270 31.823 0.083 0.000 0.636 122 V HN 0.226 nan 8.190 nan 0.000 0.445 123 M N -1.136 118.540 119.600 0.127 0.000 2.267 123 M HA -0.205 4.272 4.480 -0.006 0.000 0.263 123 M C 2.221 178.499 176.300 -0.036 0.000 1.063 123 M CA 1.565 56.962 55.300 0.161 0.000 1.090 123 M CB -0.654 32.201 32.600 0.425 0.000 1.392 123 M HN 0.428 nan 8.290 nan 0.000 0.422 124 c N -0.409 118.201 118.600 0.017 0.000 2.485 124 c HA -0.036 4.530 4.570 -0.006 0.000 0.277 124 c C 2.792 176.889 174.090 0.012 0.000 1.376 124 c CA 0.936 57.249 56.329 -0.027 0.000 1.759 124 c CB -0.803 41.715 42.510 0.013 0.000 1.970 124 c HN 0.542 nan 8.230 nan 0.000 0.509 125 T N 1.204 115.782 114.554 0.040 0.000 2.668 125 T HA -0.092 4.255 4.350 -0.006 0.000 0.262 125 T C 2.207 176.915 174.700 0.012 0.000 1.045 125 T CA 1.696 63.836 62.100 0.067 0.000 1.152 125 T CB -0.506 68.394 68.868 0.052 0.000 0.864 125 T HN 0.577 nan 8.240 nan 0.000 0.419 126 A N 1.369 124.166 122.820 -0.037 0.000 1.892 126 A HA -0.110 4.206 4.320 -0.006 0.000 0.218 126 A C 2.043 179.491 177.584 -0.227 0.000 1.188 126 A CA 1.769 53.771 52.037 -0.059 0.000 0.631 126 A CB -1.162 17.876 19.000 0.063 0.000 0.822 126 A HN 0.486 nan 8.150 nan 0.000 0.447 127 F N 0.389 119.856 119.950 -0.805 0.000 2.202 127 F HA -0.225 4.298 4.527 -0.006 0.000 0.301 127 F C 2.072 177.632 175.800 -0.400 0.000 1.082 127 F CA 2.252 59.698 58.000 -0.923 0.000 1.313 127 F CB -0.486 37.852 39.000 -1.103 0.000 1.024 127 F HN 0.471 nan 8.300 nan 0.000 0.495 128 H N -1.844 117.093 119.070 -0.221 0.000 2.525 128 H HA -0.021 4.532 4.556 -0.006 0.000 0.275 128 H C 1.635 176.857 175.328 -0.177 0.000 0.984 128 H CA 0.693 56.611 56.048 -0.217 0.000 1.264 128 H CB 0.074 29.794 29.762 -0.070 0.000 1.432 128 H HN 0.322 nan 8.280 nan 0.000 0.549 129 D N 0.397 120.786 120.400 -0.018 0.000 2.096 129 D HA -0.126 4.511 4.640 -0.006 0.000 0.207 129 D C 0.544 176.814 176.300 -0.051 0.000 0.976 129 D CA 0.850 54.840 54.000 -0.017 0.000 0.875 129 D CB 0.218 41.020 40.800 0.004 0.000 1.009 129 D HN 0.041 nan 8.370 nan 0.000 0.449 130 N N 0.055 118.725 118.700 -0.050 0.000 2.626 130 N HA 0.058 4.795 4.740 -0.006 0.000 0.249 130 N C -0.160 175.306 175.510 -0.074 0.000 1.021 130 N CA -0.096 52.929 53.050 -0.042 0.000 0.886 130 N CB 1.176 39.678 38.487 0.024 0.000 1.149 130 N HN 0.225 nan 8.380 nan 0.000 0.517 131 E N 2.080 122.153 120.200 -0.212 0.000 2.118 131 E HA -0.251 4.096 4.350 -0.006 0.000 0.195 131 E C 1.014 177.609 176.600 -0.009 0.000 0.992 131 E CA 1.331 57.535 56.400 -0.327 0.000 0.804 131 E CB 0.280 29.674 29.700 -0.510 0.000 0.741 131 E HN 0.719 nan 8.360 nan 0.000 0.458 132 E N -0.526 119.686 120.200 0.020 0.000 2.051 132 E HA -0.152 4.195 4.350 -0.006 0.000 0.192 132 E C 1.865 178.552 176.600 0.145 0.000 0.991 132 E CA 2.001 58.451 56.400 0.084 0.000 0.799 132 E CB -0.067 29.668 29.700 0.058 0.000 0.748 132 E HN 0.161 nan 8.360 nan 0.000 0.449 133 T N 0.208 114.854 114.554 0.154 0.000 2.867 133 T HA -0.109 4.237 4.350 -0.006 0.000 0.268 133 T C 1.306 176.110 174.700 0.173 0.000 1.057 133 T CA 0.927 63.152 62.100 0.209 0.000 1.136 133 T CB -0.398 68.588 68.868 0.196 0.000 0.874 133 T HN 0.214 nan 8.240 nan 0.000 0.466 134 F N 1.641 121.612 119.950 0.036 0.000 2.171 134 F HA 0.040 4.563 4.527 -0.006 0.000 0.300 134 F C 1.695 177.545 175.800 0.082 0.000 1.090 134 F CA 1.048 59.064 58.000 0.026 0.000 1.293 134 F CB -0.290 38.746 39.000 0.061 0.000 1.013 134 F HN 0.078 nan 8.300 nan 0.000 0.486 135 L N -0.728 120.625 121.223 0.217 0.000 2.509 135 L HA -0.041 4.296 4.340 -0.006 0.000 0.222 135 L C 2.099 179.054 176.870 0.141 0.000 1.123 135 L CA 0.499 55.450 54.840 0.185 0.000 0.856 135 L CB -0.418 41.790 42.059 0.249 0.000 0.985 135 L HN 0.031 nan 8.230 nan 0.000 0.456 136 K N 0.629 121.116 120.400 0.145 0.000 2.044 136 K HA -0.075 4.241 4.320 -0.006 0.000 0.204 136 K C 1.978 178.665 176.600 0.146 0.000 1.045 136 K CA 0.913 57.346 56.287 0.242 0.000 0.951 136 K CB 0.061 32.849 32.500 0.479 0.000 0.738 136 K HN 0.052 nan 8.250 nan 0.000 0.443 137 K N -0.008 120.243 120.400 -0.248 0.000 2.281 137 K HA -0.204 4.113 4.320 -0.006 0.000 0.203 137 K C 1.891 178.396 176.600 -0.158 0.000 1.046 137 K CA 1.249 57.245 56.287 -0.485 0.000 0.938 137 K CB -0.175 31.934 32.500 -0.651 0.000 0.737 137 K HN 0.166 nan 8.250 nan 0.000 0.458 138 Y N 1.169 121.285 120.300 -0.306 0.000 2.114 138 Y HA -0.131 4.416 4.550 -0.006 0.000 0.284 138 Y C 1.662 177.416 175.900 -0.245 0.000 1.119 138 Y CA 1.256 59.119 58.100 -0.395 0.000 1.108 138 Y CB -0.441 37.671 38.460 -0.580 0.000 0.995 138 Y HN -0.117 nan 8.280 nan 0.000 0.491 139 L N -0.879 120.168 121.223 -0.294 0.000 1.990 139 L HA -0.308 4.029 4.340 -0.006 0.000 0.213 139 L C 2.452 179.207 176.870 -0.192 0.000 1.072 139 L CA 2.162 56.816 54.840 -0.310 0.000 0.755 139 L CB -1.093 40.905 42.059 -0.102 0.000 0.889 139 L HN 0.362 nan 8.230 nan 0.000 0.432 140 Y N 1.122 121.349 120.300 -0.123 0.000 2.070 140 Y HA -0.294 4.252 4.550 -0.006 0.000 0.280 140 Y C 2.663 178.512 175.900 -0.086 0.000 1.148 140 Y CA 1.843 59.935 58.100 -0.013 0.000 1.125 140 Y CB -0.257 38.336 38.460 0.222 0.000 0.975 140 Y HN 0.119 nan 8.280 nan 0.000 0.492 141 E N 0.118 120.180 120.200 -0.230 0.000 2.160 141 E HA -0.174 4.172 4.350 -0.006 0.000 0.195 141 E C 2.219 178.637 176.600 -0.302 0.000 0.991 141 E CA 1.258 57.450 56.400 -0.346 0.000 0.810 141 E CB -0.219 29.374 29.700 -0.177 0.000 0.742 141 E HN 0.513 nan 8.360 nan 0.000 0.466 142 I N 0.731 121.087 120.570 -0.356 0.000 2.277 142 I HA -0.120 4.046 4.170 -0.006 0.000 0.243 142 I C 2.429 178.482 176.117 -0.106 0.000 1.094 142 I CA 0.866 62.011 61.300 -0.259 0.000 1.393 142 I CB -1.637 36.006 38.000 -0.596 0.000 1.078 142 I HN -0.074 nan 8.210 nan 0.000 0.417 143 A N 2.001 124.689 122.820 -0.220 0.000 1.865 143 A HA -0.244 4.073 4.320 -0.006 0.000 0.217 143 A C 2.433 179.950 177.584 -0.112 0.000 1.191 143 A CA 2.226 54.174 52.037 -0.147 0.000 0.623 143 A CB -0.840 18.053 19.000 -0.178 0.000 0.826 143 A HN 0.534 nan 8.150 nan 0.000 0.444 144 R N -0.715 119.661 120.500 -0.207 0.000 2.293 144 R HA -0.037 4.300 4.340 -0.006 0.000 0.219 144 R C 1.770 177.976 176.300 -0.157 0.000 1.091 144 R CA 1.571 57.551 56.100 -0.200 0.000 1.004 144 R CB -0.260 29.811 30.300 -0.382 0.000 0.865 144 R HN 0.485 nan 8.270 nan 0.000 0.469 145 R N -0.571 119.839 120.500 -0.149 0.000 2.206 145 R HA 0.155 4.492 4.340 -0.006 0.000 0.198 145 R C 0.177 176.285 176.300 -0.320 0.000 0.986 145 R CA 0.444 56.410 56.100 -0.223 0.000 1.029 145 R CB 0.439 30.583 30.300 -0.261 0.000 0.966 145 R HN 0.353 nan 8.270 nan 0.000 0.487 146 H N 1.159 120.237 119.070 0.014 0.000 2.418 146 H HA 0.164 4.717 4.556 -0.005 0.000 0.238 146 H C -1.963 173.413 175.328 0.079 0.000 1.403 146 H CA -1.772 54.316 56.048 0.067 0.000 1.419 146 H CB 1.298 31.124 29.762 0.107 0.000 1.463 146 H HN 0.058 nan 8.280 nan 0.000 0.515 147 P HA -0.162 nan 4.420 nan 0.000 0.234 147 P C 0.059 177.233 177.300 -0.210 0.000 1.162 147 P CA 1.073 64.134 63.100 -0.065 0.000 0.759 147 P CB 0.008 31.640 31.700 -0.113 0.000 0.813 148 Y N -2.273 118.081 120.300 0.091 0.000 2.706 148 Y HA 0.302 4.848 4.550 -0.006 0.000 0.255 148 Y C 0.772 176.733 175.900 0.102 0.000 1.163 148 Y CA -1.016 57.127 58.100 0.072 0.000 1.174 148 Y CB -0.160 38.314 38.460 0.022 0.000 1.200 148 Y HN -0.212 nan 8.280 nan 0.000 0.544 149 F N 0.744 120.754 119.950 0.100 0.000 2.518 149 F HA 0.078 4.601 4.527 -0.006 0.000 0.359 149 F C 0.169 176.040 175.800 0.118 0.000 1.118 149 F CA -1.017 57.018 58.000 0.058 0.000 1.287 149 F CB 0.262 39.236 39.000 -0.044 0.000 1.132 149 F HN 0.019 nan 8.300 nan 0.000 0.587 150 Y N 6.351 126.990 120.300 0.565 0.000 2.674 150 Y HA 0.278 4.824 4.550 -0.006 0.000 0.354 150 Y C 1.098 177.136 175.900 0.231 0.000 1.089 150 Y CA -0.723 57.568 58.100 0.319 0.000 1.444 150 Y CB 0.113 38.741 38.460 0.280 0.000 1.187 150 Y HN 0.743 nan 8.280 nan 0.000 0.523 151 A N 7.617 130.525 122.820 0.146 0.000 1.896 151 A HA -0.226 4.091 4.320 -0.006 0.000 0.220 151 A C -0.418 177.057 177.584 -0.182 0.000 1.206 151 A CA 2.037 54.027 52.037 -0.079 0.000 0.647 151 A CB -1.694 17.253 19.000 -0.089 0.000 0.828 151 A HN 0.615 nan 8.150 nan 0.000 0.455 152 P HA -0.150 nan 4.420 nan 0.000 0.213 152 P C 1.339 178.559 177.300 -0.134 0.000 1.170 152 P CA 1.358 64.285 63.100 -0.288 0.000 0.898 152 P CB -0.084 31.318 31.700 -0.496 0.000 0.787 153 E N -0.660 119.464 120.200 -0.126 0.000 2.147 153 E HA -0.209 4.137 4.350 -0.006 0.000 0.199 153 E C 1.883 178.597 176.600 0.189 0.000 1.005 153 E CA 0.956 57.513 56.400 0.260 0.000 0.810 153 E CB -1.175 28.824 29.700 0.498 0.000 0.736 153 E HN 0.104 nan 8.360 nan 0.000 0.460 154 L N 0.660 121.771 121.223 -0.187 0.000 2.042 154 L HA -0.155 4.182 4.340 -0.006 0.000 0.210 154 L C 2.207 179.024 176.870 -0.088 0.000 1.076 154 L CA 1.467 56.031 54.840 -0.460 0.000 0.749 154 L CB -0.644 41.045 42.059 -0.617 0.000 0.893 154 L HN 0.128 nan 8.230 nan 0.000 0.432 155 L N -2.027 119.189 121.223 -0.013 0.000 2.131 155 L HA -0.227 4.109 4.340 -0.006 0.000 0.210 155 L C 2.461 179.445 176.870 0.189 0.000 1.092 155 L CA 1.227 56.104 54.840 0.060 0.000 0.759 155 L CB -0.802 41.276 42.059 0.032 0.000 0.903 155 L HN 0.284 nan 8.230 nan 0.000 0.435 156 F N 0.498 120.518 119.950 0.117 0.000 2.206 156 F HA -0.135 4.389 4.527 -0.005 0.000 0.298 156 F C 2.101 177.992 175.800 0.152 0.000 1.090 156 F CA 1.107 59.181 58.000 0.124 0.000 1.323 156 F CB -0.303 38.787 39.000 0.150 0.000 1.028 156 F HN -0.126 nan 8.300 nan 0.000 0.492 157 F N 0.278 120.217 119.950 -0.019 0.000 2.365 157 F HA 0.049 4.573 4.527 -0.005 0.000 0.300 157 F C 2.452 178.271 175.800 0.031 0.000 1.090 157 F CA 0.850 58.819 58.000 -0.052 0.000 1.408 157 F CB -1.275 37.777 39.000 0.087 0.000 1.060 157 F HN 0.064 nan 8.300 nan 0.000 0.534 158 A N -0.677 122.288 122.820 0.241 0.000 2.072 158 A HA -0.089 4.227 4.320 -0.006 0.000 0.216 158 A C 2.191 179.838 177.584 0.104 0.000 1.156 158 A CA 1.052 53.224 52.037 0.225 0.000 0.701 158 A CB -0.434 18.703 19.000 0.228 0.000 0.816 158 A HN 0.292 nan 8.150 nan 0.000 0.458 159 K N -0.010 120.395 120.400 0.009 0.000 2.031 159 K HA -0.053 4.264 4.320 -0.006 0.000 0.205 159 K C 2.211 178.748 176.600 -0.106 0.000 1.049 159 K CA 1.178 57.444 56.287 -0.035 0.000 0.939 159 K CB -0.159 32.303 32.500 -0.064 0.000 0.717 159 K HN 0.369 nan 8.250 nan 0.000 0.438 160 R N -0.900 119.442 120.500 -0.264 0.000 2.096 160 R HA -0.163 4.173 4.340 -0.006 0.000 0.235 160 R C 2.269 178.505 176.300 -0.107 0.000 1.127 160 R CA 1.595 57.531 56.100 -0.273 0.000 0.968 160 R CB -0.445 29.563 30.300 -0.486 0.000 0.861 160 R HN 0.321 nan 8.270 nan 0.000 0.440 161 Y N 1.920 122.100 120.300 -0.199 0.000 2.242 161 Y HA -0.192 4.354 4.550 -0.006 0.000 0.291 161 Y C 2.435 178.313 175.900 -0.036 0.000 1.137 161 Y CA 1.468 59.467 58.100 -0.168 0.000 1.181 161 Y CB 0.013 38.167 38.460 -0.511 0.000 0.989 161 Y HN -0.118 nan 8.280 nan 0.000 0.527 162 K N -0.032 120.416 120.400 0.080 0.000 2.026 162 K HA -0.175 4.142 4.320 -0.006 0.000 0.208 162 K C 2.260 178.821 176.600 -0.064 0.000 1.048 162 K CA 1.190 57.519 56.287 0.070 0.000 0.929 162 K CB -0.385 32.212 32.500 0.162 0.000 0.713 162 K HN 0.335 nan 8.250 nan 0.000 0.439 163 A N 1.339 124.122 122.820 -0.063 0.000 1.865 163 A HA -0.173 4.143 4.320 -0.006 0.000 0.217 163 A C 2.390 179.857 177.584 -0.195 0.000 1.191 163 A CA 2.220 54.198 52.037 -0.098 0.000 0.623 163 A CB -1.132 17.811 19.000 -0.095 0.000 0.826 163 A HN 0.511 nan 8.150 nan 0.000 0.444 164 A N -1.114 121.557 122.820 -0.250 0.000 1.903 164 A HA -0.166 4.150 4.320 -0.006 0.000 0.219 164 A C 1.987 179.201 177.584 -0.617 0.000 1.191 164 A CA 1.957 53.756 52.037 -0.396 0.000 0.638 164 A CB -0.934 17.801 19.000 -0.443 0.000 0.823 164 A HN 0.513 nan 8.150 nan 0.000 0.451 165 F N 0.302 119.848 119.950 -0.673 0.000 2.234 165 F HA -0.105 4.419 4.527 -0.006 0.000 0.299 165 F C 2.745 178.076 175.800 -0.781 0.000 1.087 165 F CA 1.778 59.196 58.000 -0.969 0.000 1.340 165 F CB -0.753 37.230 39.000 -1.695 0.000 1.031 165 F HN 0.149 nan 8.300 nan 0.000 0.500 166 T N -1.051 113.260 114.554 -0.404 0.000 2.812 166 T HA -0.177 4.170 4.350 -0.006 0.000 0.264 166 T C 1.897 176.568 174.700 -0.049 0.000 1.042 166 T CA 1.444 63.524 62.100 -0.033 0.000 1.140 166 T CB -0.160 68.764 68.868 0.094 0.000 0.870 166 T HN 0.345 nan 8.240 nan 0.000 0.445 167 E N -0.134 119.988 120.200 -0.130 0.000 2.060 167 E HA -0.068 4.279 4.350 -0.006 0.000 0.189 167 E C 1.746 178.266 176.600 -0.134 0.000 0.974 167 E CA 0.735 57.071 56.400 -0.107 0.000 0.808 167 E CB -0.009 29.623 29.700 -0.113 0.000 0.768 167 E HN 0.421 nan 8.360 nan 0.000 0.453 168 c N 0.456 118.920 118.600 -0.226 0.000 2.522 168 c HA 0.096 4.662 4.570 -0.006 0.000 0.271 168 c C 2.272 176.252 174.090 -0.182 0.000 1.425 168 c CA -0.325 55.870 56.329 -0.223 0.000 1.751 168 c CB -1.115 41.203 42.510 -0.321 0.000 1.775 168 c HN 0.576 nan 8.230 nan 0.000 0.557 169 c N 0.632 119.141 118.600 -0.152 0.000 2.618 169 c HA 0.032 4.599 4.570 -0.006 0.000 0.264 169 c C 2.424 176.542 174.090 0.047 0.000 1.334 169 c CA 0.621 56.923 56.329 -0.044 0.000 1.731 169 c CB -1.002 41.511 42.510 0.004 0.000 1.852 169 c HN 0.630 nan 8.230 nan 0.000 0.566 170 Q N 0.624 120.432 119.800 0.012 0.000 2.423 170 Q HA 0.306 4.642 4.340 -0.006 0.000 0.231 170 Q C 1.188 177.181 176.000 -0.012 0.000 0.894 170 Q CA 0.301 56.115 55.803 0.017 0.000 0.938 170 Q CB -0.611 28.140 28.738 0.020 0.000 1.079 170 Q HN 0.542 nan 8.270 nan 0.000 0.552 171 A N 1.334 124.133 122.820 -0.036 0.000 2.583 171 A HA 0.267 4.584 4.320 -0.006 0.000 0.231 171 A C 1.433 178.997 177.584 -0.034 0.000 1.065 171 A CA 0.772 52.784 52.037 -0.042 0.000 0.760 171 A CB 0.159 19.121 19.000 -0.064 0.000 1.001 171 A HN 0.315 nan 8.150 nan 0.000 0.509 172 A N 1.030 123.832 122.820 -0.030 0.000 1.841 172 A HA -0.083 4.234 4.320 -0.006 0.000 0.216 172 A C 1.209 178.776 177.584 -0.028 0.000 1.199 172 A CA 1.917 53.939 52.037 -0.024 0.000 0.621 172 A CB -0.510 18.477 19.000 -0.022 0.000 0.835 172 A HN 0.819 nan 8.150 nan 0.000 0.445 173 D N -0.351 120.029 120.400 -0.034 0.000 2.483 173 D HA 0.243 4.880 4.640 -0.006 0.000 0.220 173 D C 0.961 177.230 176.300 -0.053 0.000 1.173 173 D CA -0.028 53.949 54.000 -0.038 0.000 0.964 173 D CB 0.367 41.146 40.800 -0.035 0.000 1.046 173 D HN 0.314 nan 8.370 nan 0.000 0.517 174 K N 1.727 122.095 120.400 -0.054 0.000 2.001 174 K HA -0.205 4.112 4.320 -0.006 0.000 0.214 174 K C 1.799 178.341 176.600 -0.097 0.000 1.050 174 K CA 1.583 57.824 56.287 -0.078 0.000 0.934 174 K CB -0.053 32.410 32.500 -0.061 0.000 0.718 174 K HN 0.399 nan 8.250 nan 0.000 0.443 175 A N 1.040 123.818 122.820 -0.071 0.000 2.070 175 A HA -0.101 4.216 4.320 -0.006 0.000 0.220 175 A C 2.202 179.742 177.584 -0.074 0.000 1.159 175 A CA 1.827 53.822 52.037 -0.070 0.000 0.656 175 A CB -0.474 18.502 19.000 -0.041 0.000 0.800 175 A HN 0.394 nan 8.150 nan 0.000 0.453 176 A N -1.666 121.113 122.820 -0.068 0.000 2.021 176 A HA 0.009 4.325 4.320 -0.006 0.000 0.216 176 A C 2.232 179.770 177.584 -0.077 0.000 1.163 176 A CA 1.206 53.207 52.037 -0.061 0.000 0.676 176 A CB -1.025 17.948 19.000 -0.046 0.000 0.818 176 A HN 0.732 nan 8.150 nan 0.000 0.453 177 c N -1.150 117.390 118.600 -0.100 0.000 2.576 177 c HA 0.091 4.658 4.570 -0.006 0.000 0.281 177 c C 2.354 176.348 174.090 -0.160 0.000 1.292 177 c CA 1.093 57.350 56.329 -0.120 0.000 1.697 177 c CB -1.234 41.198 42.510 -0.130 0.000 2.109 177 c HN 0.522 nan 8.230 nan 0.000 0.497 178 L N 1.333 122.430 121.223 -0.210 0.000 1.971 178 L HA -0.109 4.228 4.340 -0.006 0.000 0.215 178 L C 2.506 179.249 176.870 -0.212 0.000 1.072 178 L CA 2.117 56.780 54.840 -0.295 0.000 0.758 178 L CB -0.941 40.900 42.059 -0.364 0.000 0.889 178 L HN 0.423 nan 8.230 nan 0.000 0.433 179 L N -0.086 121.057 121.223 -0.134 0.000 1.990 179 L HA -0.202 4.134 4.340 -0.006 0.000 0.213 179 L C -0.106 176.733 176.870 -0.052 0.000 1.072 179 L CA 1.925 56.722 54.840 -0.073 0.000 0.755 179 L CB -2.505 39.530 42.059 -0.041 0.000 0.889 179 L HN 0.319 nan 8.230 nan 0.000 0.432 180 P HA -0.174 nan 4.420 nan 0.000 0.218 180 P C 1.265 178.543 177.300 -0.037 0.000 1.148 180 P CA 1.490 64.569 63.100 -0.034 0.000 0.822 180 P CB 0.003 31.681 31.700 -0.036 0.000 0.784 181 K N -0.146 120.209 120.400 -0.076 0.000 2.025 181 K HA -0.025 4.292 4.320 -0.006 0.000 0.207 181 K C 2.277 178.857 176.600 -0.032 0.000 1.049 181 K CA 1.070 57.307 56.287 -0.083 0.000 0.933 181 K CB -0.592 31.813 32.500 -0.158 0.000 0.714 181 K HN 0.140 nan 8.250 nan 0.000 0.438 182 L N 1.076 122.286 121.223 -0.022 0.000 2.201 182 L HA -0.170 4.166 4.340 -0.006 0.000 0.212 182 L C 1.393 178.331 176.870 0.112 0.000 1.105 182 L CA 0.816 55.709 54.840 0.088 0.000 0.775 182 L CB -0.469 41.657 42.059 0.112 0.000 0.913 182 L HN 0.187 nan 8.230 nan 0.000 0.440 183 D N -0.104 120.337 120.400 0.069 0.000 2.194 183 D HA -0.160 4.477 4.640 -0.006 0.000 0.204 183 D C 1.975 178.330 176.300 0.091 0.000 0.964 183 D CA 0.772 54.820 54.000 0.080 0.000 0.846 183 D CB 0.149 40.982 40.800 0.054 0.000 0.962 183 D HN 0.394 nan 8.370 nan 0.000 0.490 184 E N 0.647 120.888 120.200 0.069 0.000 2.017 184 E HA -0.114 4.232 4.350 -0.006 0.000 0.193 184 E C 2.313 178.986 176.600 0.121 0.000 0.997 184 E CA 0.494 56.936 56.400 0.071 0.000 0.804 184 E CB -0.015 29.699 29.700 0.024 0.000 0.757 184 E HN 0.138 nan 8.360 nan 0.000 0.448 185 L N 0.415 121.717 121.223 0.132 0.000 1.989 185 L HA -0.242 4.095 4.340 -0.006 0.000 0.211 185 L C 2.934 180.010 176.870 0.342 0.000 1.071 185 L CA 1.825 56.809 54.840 0.240 0.000 0.749 185 L CB -0.599 41.608 42.059 0.247 0.000 0.890 185 L HN 0.203 nan 8.230 nan 0.000 0.431 186 R N 0.497 121.152 120.500 0.258 0.000 2.096 186 R HA -0.227 4.109 4.340 -0.006 0.000 0.240 186 R C 1.773 178.192 176.300 0.200 0.000 1.139 186 R CA 2.373 58.608 56.100 0.225 0.000 0.952 186 R CB -0.286 30.121 30.300 0.179 0.000 0.854 186 R HN 0.290 nan 8.270 nan 0.000 0.436 187 D N -0.117 120.390 120.400 0.179 0.000 2.097 187 D HA -0.128 4.509 4.640 -0.006 0.000 0.195 187 D C 1.658 178.076 176.300 0.196 0.000 0.989 187 D CA 1.572 55.666 54.000 0.157 0.000 0.827 187 D CB 0.012 40.888 40.800 0.126 0.000 0.966 187 D HN 0.416 nan 8.370 nan 0.000 0.456 188 E N -0.226 120.144 120.200 0.283 0.000 2.268 188 E HA -0.050 4.297 4.350 -0.006 0.000 0.195 188 E C 2.095 178.995 176.600 0.500 0.000 0.995 188 E CA 0.754 57.402 56.400 0.413 0.000 0.836 188 E CB -0.030 29.947 29.700 0.463 0.000 0.763 188 E HN 0.317 nan 8.360 nan 0.000 0.491 189 G N 1.411 110.456 108.800 0.409 0.000 2.408 189 G HA2 -0.203 3.754 3.960 -0.006 0.000 0.215 189 G HA3 -0.203 3.754 3.960 -0.006 0.000 0.215 189 G C 1.503 176.297 174.900 -0.177 0.000 1.156 189 G CA 0.199 45.314 45.100 0.025 0.000 0.793 189 G HN 0.085 nan 8.290 nan 0.000 0.535 190 K N 0.556 120.924 120.400 -0.053 0.000 2.148 190 K HA 0.149 4.466 4.320 -0.006 0.000 0.204 190 K C 2.768 179.308 176.600 -0.100 0.000 1.050 190 K CA 0.930 57.166 56.287 -0.086 0.000 0.942 190 K CB -0.086 32.447 32.500 0.056 0.000 0.724 190 K HN 0.252 nan 8.250 nan 0.000 0.446 191 A N 0.328 123.138 122.820 -0.017 0.000 1.968 191 A HA -0.095 4.222 4.320 -0.006 0.000 0.217 191 A C 2.119 179.670 177.584 -0.055 0.000 1.169 191 A CA 1.635 53.681 52.037 0.016 0.000 0.638 191 A CB -0.372 18.694 19.000 0.111 0.000 0.812 191 A HN 0.233 nan 8.150 nan 0.000 0.446 192 S N -0.761 114.856 115.700 -0.138 0.000 2.414 192 S HA -0.093 4.373 4.470 -0.006 0.000 0.227 192 S C 2.269 176.534 174.600 -0.559 0.000 1.022 192 S CA 1.543 59.612 58.200 -0.220 0.000 0.958 192 S CB -0.409 62.702 63.200 -0.148 0.000 0.797 192 S HN 0.616 nan 8.310 nan 0.000 0.493 193 S N 1.011 116.231 115.700 -0.801 0.000 2.359 193 S HA -0.042 4.425 4.470 -0.006 0.000 0.224 193 S C 2.060 176.450 174.600 -0.349 0.000 1.035 193 S CA 1.561 59.273 58.200 -0.814 0.000 1.018 193 S CB -0.771 62.020 63.200 -0.682 0.000 0.876 193 S HN 0.683 nan 8.310 nan 0.000 0.448 194 A N 1.167 123.853 122.820 -0.223 0.000 1.872 194 A HA 0.034 4.351 4.320 -0.006 0.000 0.214 194 A C 2.195 179.683 177.584 -0.159 0.000 1.187 194 A CA 1.425 53.373 52.037 -0.149 0.000 0.614 194 A CB -0.690 18.242 19.000 -0.112 0.000 0.826 194 A HN 0.573 nan 8.150 nan 0.000 0.442 195 K N -0.969 119.346 120.400 -0.141 0.000 2.020 195 K HA -0.275 4.042 4.320 -0.006 0.000 0.212 195 K C 2.405 178.900 176.600 -0.175 0.000 1.050 195 K CA 2.124 58.338 56.287 -0.121 0.000 0.929 195 K CB -0.153 32.314 32.500 -0.055 0.000 0.714 195 K HN 0.485 nan 8.250 nan 0.000 0.443 196 Q N 0.706 120.398 119.800 -0.180 0.000 2.119 196 Q HA -0.169 4.168 4.340 -0.006 0.000 0.201 196 Q C 1.865 177.770 176.000 -0.158 0.000 0.972 196 Q CA 1.515 57.209 55.803 -0.180 0.000 0.847 196 Q CB -0.135 28.529 28.738 -0.122 0.000 0.903 196 Q HN 0.094 nan 8.270 nan 0.000 0.433 197 R N -0.241 120.167 120.500 -0.153 0.000 2.127 197 R HA -0.136 4.201 4.340 -0.006 0.000 0.238 197 R C 1.827 177.991 176.300 -0.227 0.000 1.134 197 R CA 1.284 57.276 56.100 -0.180 0.000 0.975 197 R CB -0.761 29.441 30.300 -0.164 0.000 0.865 197 R HN 0.428 nan 8.270 nan 0.000 0.447 198 L N 0.546 121.639 121.223 -0.218 0.000 2.109 198 L HA -0.038 4.299 4.340 -0.006 0.000 0.207 198 L C 1.469 178.185 176.870 -0.256 0.000 1.086 198 L CA 1.791 56.491 54.840 -0.234 0.000 0.760 198 L CB -0.304 41.600 42.059 -0.258 0.000 0.910 198 L HN 0.110 nan 8.230 nan 0.000 0.437 199 K N -1.165 119.064 120.400 -0.284 0.000 2.057 199 K HA -0.116 4.201 4.320 -0.006 0.000 0.206 199 K C 2.132 178.627 176.600 -0.176 0.000 1.050 199 K CA 1.528 57.657 56.287 -0.263 0.000 0.935 199 K CB -0.725 31.564 32.500 -0.351 0.000 0.715 199 K HN 0.399 nan 8.250 nan 0.000 0.439 200 c N 1.154 119.665 118.600 -0.148 0.000 2.429 200 c HA -0.057 4.509 4.570 -0.006 0.000 0.277 200 c C 3.024 177.055 174.090 -0.098 0.000 1.262 200 c CA 0.820 57.102 56.329 -0.079 0.000 1.733 200 c CB -0.959 41.553 42.510 0.003 0.000 2.010 200 c HN 0.544 nan 8.230 nan 0.000 0.483 201 A N 0.564 123.290 122.820 -0.156 0.000 1.908 201 A HA -0.176 4.140 4.320 -0.006 0.000 0.218 201 A C 2.261 179.878 177.584 0.056 0.000 1.181 201 A CA 2.380 54.361 52.037 -0.093 0.000 0.627 201 A CB -0.837 18.102 19.000 -0.102 0.000 0.818 201 A HN 0.557 nan 8.150 nan 0.000 0.445 202 S N -0.141 115.590 115.700 0.051 0.000 2.351 202 S HA -0.137 4.329 4.470 -0.006 0.000 0.220 202 S C 1.885 176.606 174.600 0.201 0.000 1.035 202 S CA 1.522 59.821 58.200 0.166 0.000 1.031 202 S CB -0.538 62.673 63.200 0.019 0.000 0.928 202 S HN 0.503 nan 8.310 nan 0.000 0.433 203 L N 1.303 122.579 121.223 0.088 0.000 1.989 203 L HA -0.248 4.089 4.340 -0.006 0.000 0.211 203 L C 2.793 179.693 176.870 0.051 0.000 1.071 203 L CA 1.581 56.454 54.840 0.055 0.000 0.749 203 L CB -0.643 41.378 42.059 -0.063 0.000 0.890 203 L HN 0.453 nan 8.230 nan 0.000 0.431 204 Q N -0.682 119.137 119.800 0.031 0.000 2.083 204 Q HA -0.136 4.201 4.340 -0.006 0.000 0.198 204 Q C 2.128 178.100 176.000 -0.047 0.000 0.969 204 Q CA 0.895 56.706 55.803 0.014 0.000 0.838 204 Q CB -0.021 28.736 28.738 0.031 0.000 0.900 204 Q HN 0.390 nan 8.270 nan 0.000 0.436 205 K N -0.056 120.279 120.400 -0.108 0.000 2.137 205 K HA 0.029 4.345 4.320 -0.006 0.000 0.202 205 K C 1.482 177.764 176.600 -0.531 0.000 1.052 205 K CA 0.896 56.969 56.287 -0.356 0.000 0.961 205 K CB 0.224 32.408 32.500 -0.526 0.000 0.741 205 K HN 0.185 nan 8.250 nan 0.000 0.452 206 F N 0.223 120.171 119.950 -0.002 0.000 2.720 206 F HA 0.259 4.783 4.527 -0.006 0.000 0.301 206 F C 1.064 176.879 175.800 0.026 0.000 1.103 206 F CA 0.223 58.228 58.000 0.009 0.000 1.291 206 F CB 0.665 39.669 39.000 0.006 0.000 1.086 206 F HN 0.102 nan 8.300 nan 0.000 0.592 207 G N 1.364 110.263 108.800 0.165 0.000 2.707 207 G HA2 -0.209 3.747 3.960 -0.006 0.000 0.686 207 G HA3 -0.209 3.747 3.960 -0.006 0.000 0.686 207 G C 0.502 175.495 174.900 0.154 0.000 1.315 207 G CA -0.166 45.008 45.100 0.124 0.000 0.832 207 G HN 0.424 nan 8.290 nan 0.000 0.573 208 E N -0.315 119.962 120.200 0.129 0.000 2.358 208 E HA -0.068 4.279 4.350 -0.006 0.000 0.195 208 E C 2.102 178.816 176.600 0.189 0.000 1.010 208 E CA 1.105 57.610 56.400 0.175 0.000 0.856 208 E CB -0.111 29.668 29.700 0.133 0.000 0.795 208 E HN 0.674 nan 8.360 nan 0.000 0.504 209 R N 1.185 121.772 120.500 0.145 0.000 2.189 209 R HA 0.073 4.410 4.340 -0.006 0.000 0.223 209 R C 2.036 178.417 176.300 0.135 0.000 1.092 209 R CA 1.275 57.453 56.100 0.131 0.000 0.989 209 R CB -0.606 29.759 30.300 0.108 0.000 0.876 209 R HN 0.214 nan 8.270 nan 0.000 0.457 210 A N 0.864 123.777 122.820 0.156 0.000 1.843 210 A HA 0.030 4.346 4.320 -0.006 0.000 0.213 210 A C 2.016 179.686 177.584 0.143 0.000 1.202 210 A CA 0.831 52.946 52.037 0.130 0.000 0.607 210 A CB -0.808 18.276 19.000 0.139 0.000 0.847 210 A HN 0.339 nan 8.150 nan 0.000 0.445 211 F N 1.201 121.195 119.950 0.072 0.000 2.091 211 F HA -0.208 4.316 4.527 -0.006 0.000 0.299 211 F C 2.167 178.071 175.800 0.174 0.000 1.103 211 F CA 2.295 60.341 58.000 0.077 0.000 1.228 211 F CB -0.162 38.851 39.000 0.022 0.000 0.984 211 F HN 0.119 nan 8.300 nan 0.000 0.477 212 K N 0.124 120.627 120.400 0.172 0.000 2.103 212 K HA -0.186 4.130 4.320 -0.006 0.000 0.207 212 K C 2.288 178.895 176.600 0.011 0.000 1.048 212 K CA 1.194 57.534 56.287 0.088 0.000 0.930 212 K CB -0.591 32.001 32.500 0.152 0.000 0.716 212 K HN 0.403 nan 8.250 nan 0.000 0.444 213 A N 0.739 123.585 122.820 0.044 0.000 1.873 213 A HA -0.190 4.126 4.320 -0.006 0.000 0.215 213 A C 1.941 179.513 177.584 -0.021 0.000 1.186 213 A CA 1.246 53.302 52.037 0.032 0.000 0.616 213 A CB -0.875 18.155 19.000 0.051 0.000 0.823 213 A HN 0.595 nan 8.150 nan 0.000 0.442 214 W N 0.614 121.776 121.300 -0.229 0.000 2.358 214 W HA -0.074 4.583 4.660 -0.006 0.000 0.303 214 W C 2.427 178.741 176.519 -0.342 0.000 1.208 214 W CA 2.157 59.331 57.345 -0.285 0.000 1.274 214 W CB -0.127 29.121 29.460 -0.353 0.000 1.138 214 W HN 0.369 nan 8.180 nan 0.000 0.515 215 A N 0.007 122.691 122.820 -0.227 0.000 1.845 215 A HA -0.199 4.118 4.320 -0.006 0.000 0.215 215 A C 2.049 179.453 177.584 -0.300 0.000 1.195 215 A CA 2.517 54.362 52.037 -0.320 0.000 0.616 215 A CB -1.430 17.418 19.000 -0.253 0.000 0.832 215 A HN 0.156 nan 8.150 nan 0.000 0.443 216 V N 0.040 119.859 119.914 -0.159 0.000 2.226 216 V HA -0.401 3.716 4.120 -0.006 0.000 0.254 216 V C 3.061 179.069 176.094 -0.144 0.000 1.065 216 V CA 2.657 64.911 62.300 -0.076 0.000 1.039 216 V CB -1.518 30.316 31.823 0.018 0.000 0.653 216 V HN 0.707 nan 8.190 nan 0.000 0.450 217 A N -0.079 122.609 122.820 -0.219 0.000 1.870 217 A HA -0.385 3.932 4.320 -0.006 0.000 0.219 217 A C 2.240 179.599 177.584 -0.375 0.000 1.224 217 A CA 3.049 54.919 52.037 -0.278 0.000 0.650 217 A CB -0.758 18.032 19.000 -0.350 0.000 0.836 217 A HN 0.520 nan 8.150 nan 0.000 0.454 218 R N 0.129 120.251 120.500 -0.631 0.000 2.097 218 R HA -0.103 4.233 4.340 -0.006 0.000 0.236 218 R C 2.017 178.028 176.300 -0.483 0.000 1.135 218 R CA 2.277 57.970 56.100 -0.677 0.000 0.934 218 R CB -0.953 28.685 30.300 -1.104 0.000 0.846 218 R HN 0.552 nan 8.270 nan 0.000 0.431 219 L N -0.061 120.907 121.223 -0.426 0.000 2.141 219 L HA -0.078 4.259 4.340 -0.006 0.000 0.209 219 L C 2.300 178.975 176.870 -0.325 0.000 1.094 219 L CA 1.406 55.967 54.840 -0.466 0.000 0.763 219 L CB -0.634 41.265 42.059 -0.268 0.000 0.908 219 L HN 0.200 nan 8.230 nan 0.000 0.437 220 S N -0.058 115.548 115.700 -0.157 0.000 2.387 220 S HA -0.253 4.213 4.470 -0.006 0.000 0.230 220 S C 1.974 176.503 174.600 -0.117 0.000 1.035 220 S CA 1.474 59.661 58.200 -0.023 0.000 1.014 220 S CB -0.201 63.013 63.200 0.024 0.000 0.836 220 S HN 0.513 nan 8.310 nan 0.000 0.466 221 Q N -0.065 119.615 119.800 -0.199 0.000 2.245 221 Q HA 0.096 4.433 4.340 -0.006 0.000 0.201 221 Q C 2.348 178.235 176.000 -0.189 0.000 0.955 221 Q CA 0.588 56.281 55.803 -0.184 0.000 0.870 221 Q CB -0.017 28.608 28.738 -0.188 0.000 0.945 221 Q HN 0.373 nan 8.270 nan 0.000 0.461 222 R N -0.260 120.049 120.500 -0.319 0.000 2.075 222 R HA -0.026 4.310 4.340 -0.006 0.000 0.226 222 R C -0.194 176.036 176.300 -0.118 0.000 1.114 222 R CA 0.842 56.703 56.100 -0.398 0.000 0.972 222 R CB 0.442 30.193 30.300 -0.914 0.000 0.869 222 R HN 0.076 nan 8.270 nan 0.000 0.437 223 F N 0.549 120.494 119.950 -0.009 0.000 2.584 223 F HA 0.370 4.897 4.527 -0.001 0.000 0.328 223 F C -1.891 173.929 175.800 0.034 0.000 1.407 223 F CA -3.264 54.743 58.000 0.013 0.000 1.145 223 F CB 1.469 40.487 39.000 0.031 0.000 1.440 223 F HN -0.055 nan 8.300 nan 0.000 0.580 224 P HA -0.143 nan 4.420 nan 0.000 0.228 224 P C 0.880 178.226 177.300 0.077 0.000 1.151 224 P CA 1.271 64.397 63.100 0.043 0.000 0.770 224 P CB 0.416 32.089 31.700 -0.044 0.000 0.786 225 K N -0.446 120.020 120.400 0.110 0.000 2.323 225 K HA 0.217 4.533 4.320 -0.006 0.000 0.197 225 K C 1.131 177.810 176.600 0.132 0.000 1.043 225 K CA -0.075 56.267 56.287 0.091 0.000 0.997 225 K CB 0.043 32.574 32.500 0.052 0.000 0.807 225 K HN 0.031 nan 8.250 nan 0.000 0.497 226 A N 2.326 125.250 122.820 0.173 0.000 2.511 226 A HA 0.002 4.319 4.320 -0.006 0.000 0.242 226 A C -0.183 177.543 177.584 0.236 0.000 1.069 226 A CA 0.088 52.224 52.037 0.165 0.000 0.763 226 A CB 0.062 19.176 19.000 0.190 0.000 1.001 226 A HN 0.202 nan 8.150 nan 0.000 0.498 227 E N 0.612 120.909 120.200 0.162 0.000 2.371 227 E HA 0.153 4.499 4.350 -0.006 0.000 0.257 227 E C 0.413 177.021 176.600 0.013 0.000 1.134 227 E CA -0.241 56.265 56.400 0.177 0.000 0.919 227 E CB 0.361 30.137 29.700 0.126 0.000 1.025 227 E HN 0.676 nan 8.360 nan 0.000 0.438 228 F N 1.929 121.643 119.950 -0.393 0.000 2.154 228 F HA -0.231 4.293 4.527 -0.006 0.000 0.301 228 F C 1.911 177.541 175.800 -0.283 0.000 1.087 228 F CA 1.884 59.453 58.000 -0.717 0.000 1.274 228 F CB -0.228 38.281 39.000 -0.819 0.000 1.009 228 F HN 0.522 nan 8.300 nan 0.000 0.485 229 A N -0.205 122.483 122.820 -0.220 0.000 1.972 229 A HA -0.154 4.163 4.320 -0.006 0.000 0.219 229 A C 2.180 179.630 177.584 -0.224 0.000 1.169 229 A CA 1.708 53.600 52.037 -0.242 0.000 0.635 229 A CB -0.590 18.384 19.000 -0.043 0.000 0.810 229 A HN 0.427 nan 8.150 nan 0.000 0.446 230 E N -0.267 119.856 120.200 -0.129 0.000 2.051 230 E HA -0.063 4.284 4.350 -0.006 0.000 0.189 230 E C 2.251 178.824 176.600 -0.046 0.000 0.979 230 E CA 1.179 57.565 56.400 -0.023 0.000 0.803 230 E CB -0.573 29.156 29.700 0.049 0.000 0.761 230 E HN 0.343 nan 8.360 nan 0.000 0.451 231 V N 1.501 121.353 119.914 -0.104 0.000 2.392 231 V HA -0.245 3.872 4.120 -0.006 0.000 0.249 231 V C 2.366 178.353 176.094 -0.179 0.000 1.059 231 V CA 1.785 64.044 62.300 -0.067 0.000 1.051 231 V CB -0.581 31.229 31.823 -0.022 0.000 0.658 231 V HN 0.165 nan 8.190 nan 0.000 0.455 232 S N -0.480 114.969 115.700 -0.419 0.000 2.359 232 S HA -0.302 4.164 4.470 -0.006 0.000 0.223 232 S C 2.034 176.534 174.600 -0.167 0.000 1.039 232 S CA 2.096 60.068 58.200 -0.380 0.000 1.042 232 S CB -0.361 62.502 63.200 -0.562 0.000 0.915 232 S HN 0.611 nan 8.310 nan 0.000 0.439 233 K N 1.074 121.389 120.400 -0.142 0.000 2.009 233 K HA -0.082 4.235 4.320 -0.006 0.000 0.210 233 K C 2.070 178.644 176.600 -0.044 0.000 1.049 233 K CA 1.265 57.489 56.287 -0.105 0.000 0.929 233 K CB -0.368 32.043 32.500 -0.148 0.000 0.714 233 K HN 0.296 nan 8.250 nan 0.000 0.440 234 L N 0.778 122.014 121.223 0.022 0.000 2.127 234 L HA -0.183 4.153 4.340 -0.006 0.000 0.211 234 L C 2.439 179.379 176.870 0.116 0.000 1.089 234 L CA 0.913 55.820 54.840 0.111 0.000 0.757 234 L CB -0.459 41.723 42.059 0.205 0.000 0.899 234 L HN 0.093 nan 8.230 nan 0.000 0.434 235 V N -0.674 119.280 119.914 0.066 0.000 2.453 235 V HA -0.221 3.896 4.120 -0.006 0.000 0.247 235 V C 2.553 178.729 176.094 0.137 0.000 1.048 235 V CA 2.081 64.438 62.300 0.094 0.000 1.049 235 V CB -0.320 31.518 31.823 0.026 0.000 0.672 235 V HN 0.438 nan 8.190 nan 0.000 0.457 236 T N -0.322 114.273 114.554 0.069 0.000 2.737 236 T HA -0.176 4.170 4.350 -0.006 0.000 0.265 236 T C 1.616 176.364 174.700 0.079 0.000 1.038 236 T CA 1.788 63.927 62.100 0.065 0.000 1.144 236 T CB -0.308 68.564 68.868 0.006 0.000 0.866 236 T HN 0.455 nan 8.240 nan 0.000 0.434 237 D N 0.682 121.117 120.400 0.059 0.000 2.117 237 D HA -0.003 4.634 4.640 -0.006 0.000 0.198 237 D C 1.922 178.299 176.300 0.128 0.000 0.982 237 D CA 0.405 54.441 54.000 0.060 0.000 0.828 237 D CB -0.407 40.407 40.800 0.022 0.000 0.967 237 D HN 0.141 nan 8.370 nan 0.000 0.464 238 L N 0.586 121.931 121.223 0.204 0.000 2.056 238 L HA -0.108 4.229 4.340 -0.006 0.000 0.207 238 L C 2.060 179.153 176.870 0.370 0.000 1.078 238 L CA 1.656 56.692 54.840 0.327 0.000 0.749 238 L CB -0.891 41.415 42.059 0.411 0.000 0.901 238 L HN -0.029 nan 8.230 nan 0.000 0.433 239 T N -0.749 114.021 114.554 0.360 0.000 2.833 239 T HA -0.236 4.111 4.350 -0.006 0.000 0.269 239 T C 1.890 176.615 174.700 0.042 0.000 1.054 239 T CA 1.665 63.906 62.100 0.234 0.000 1.135 239 T CB -0.177 68.871 68.868 0.300 0.000 0.869 239 T HN 0.330 nan 8.240 nan 0.000 0.466 240 K N 0.725 121.165 120.400 0.066 0.000 2.057 240 K HA -0.048 4.268 4.320 -0.006 0.000 0.206 240 K C 2.200 178.801 176.600 0.001 0.000 1.050 240 K CA 0.827 57.127 56.287 0.023 0.000 0.935 240 K CB -0.236 32.281 32.500 0.029 0.000 0.715 240 K HN 0.120 nan 8.250 nan 0.000 0.439 241 V N 1.283 121.202 119.914 0.007 0.000 2.237 241 V HA -0.268 3.849 4.120 -0.006 0.000 0.245 241 V C 2.284 178.301 176.094 -0.130 0.000 1.046 241 V CA 1.887 64.159 62.300 -0.048 0.000 1.007 241 V CB -0.627 31.163 31.823 -0.054 0.000 0.638 241 V HN 0.457 nan 8.190 nan 0.000 0.445 242 H N -0.252 118.776 119.070 -0.069 0.000 2.457 242 H HA -0.092 4.460 4.556 -0.006 0.000 0.294 242 H C 2.434 177.651 175.328 -0.184 0.000 1.064 242 H CA 1.834 57.761 56.048 -0.201 0.000 1.330 242 H CB -0.351 29.113 29.762 -0.496 0.000 1.395 242 H HN 0.428 nan 8.280 nan 0.000 0.541 243 T N 0.802 115.301 114.554 -0.091 0.000 2.788 243 T HA -0.110 4.237 4.350 -0.006 0.000 0.268 243 T C 1.884 176.594 174.700 0.016 0.000 1.044 243 T CA 1.182 63.240 62.100 -0.070 0.000 1.139 243 T CB -0.008 68.808 68.868 -0.087 0.000 0.867 243 T HN 0.495 nan 8.240 nan 0.000 0.454 244 E N 0.005 120.219 120.200 0.023 0.000 2.072 244 E HA -0.082 4.265 4.350 -0.006 0.000 0.191 244 E C 2.454 179.121 176.600 0.112 0.000 0.985 244 E CA 0.926 57.371 56.400 0.075 0.000 0.801 244 E CB -0.224 29.499 29.700 0.038 0.000 0.750 244 E HN 0.392 nan 8.360 nan 0.000 0.452 245 c N 0.200 118.851 118.600 0.084 0.000 2.440 245 c HA -0.096 4.470 4.570 -0.006 0.000 0.278 245 c C 2.482 176.658 174.090 0.144 0.000 1.295 245 c CA 0.298 56.701 56.329 0.124 0.000 1.738 245 c CB -0.512 42.118 42.510 0.199 0.000 1.987 245 c HN 0.565 nan 8.230 nan 0.000 0.492 246 c N -0.970 117.716 118.600 0.143 0.000 2.546 246 c HA 0.018 4.584 4.570 -0.006 0.000 0.275 246 c C 1.821 176.071 174.090 0.267 0.000 1.393 246 c CA 0.380 56.827 56.329 0.197 0.000 1.703 246 c CB -2.405 40.191 42.510 0.143 0.000 1.710 246 c HN 0.700 nan 8.230 nan 0.000 0.581 247 H N -0.758 118.380 119.070 0.113 0.000 3.058 247 H HA 0.214 4.766 4.556 -0.006 0.000 0.266 247 H C 1.658 177.114 175.328 0.213 0.000 1.135 247 H CA 0.716 56.855 56.048 0.152 0.000 1.174 247 H CB 0.470 30.317 29.762 0.143 0.000 1.581 247 H HN 0.429 nan 8.280 nan 0.000 0.553 248 G N 1.689 110.587 108.800 0.163 0.000 2.136 248 G HA2 -0.197 3.759 3.960 -0.006 0.000 0.242 248 G HA3 -0.197 3.759 3.960 -0.006 0.000 0.242 248 G C -0.481 174.531 174.900 0.187 0.000 0.989 248 G CA 0.280 45.429 45.100 0.082 0.000 0.682 248 G HN 0.455 nan 8.290 nan 0.000 0.522 249 D N 0.667 121.170 120.400 0.171 0.000 2.473 249 D HA 0.458 5.094 4.640 -0.006 0.000 0.226 249 D C 1.530 177.849 176.300 0.031 0.000 1.089 249 D CA -0.348 53.689 54.000 0.062 0.000 0.883 249 D CB 0.857 41.694 40.800 0.062 0.000 1.029 249 D HN 0.308 nan 8.370 nan 0.000 0.517 250 L N 0.569 121.790 121.223 -0.004 0.000 2.609 250 L HA 0.159 4.496 4.340 -0.006 0.000 0.230 250 L C 2.199 179.032 176.870 -0.062 0.000 1.087 250 L CA -0.073 54.743 54.840 -0.040 0.000 0.874 250 L CB 0.212 42.216 42.059 -0.092 0.000 1.114 250 L HN 0.208 nan 8.230 nan 0.000 0.488 251 L N 0.795 121.987 121.223 -0.052 0.000 2.217 251 L HA -0.098 4.239 4.340 -0.006 0.000 0.211 251 L C 2.668 179.521 176.870 -0.028 0.000 1.107 251 L CA 1.054 55.859 54.840 -0.057 0.000 0.783 251 L CB -0.439 41.605 42.059 -0.024 0.000 0.919 251 L HN 0.448 nan 8.230 nan 0.000 0.442 252 E N -0.355 119.837 120.200 -0.013 0.000 2.190 252 E HA -0.168 4.179 4.350 -0.006 0.000 0.191 252 E C 2.304 178.904 176.600 0.000 0.000 0.978 252 E CA 1.142 57.544 56.400 0.004 0.000 0.839 252 E CB -0.783 28.926 29.700 0.015 0.000 0.787 252 E HN 0.472 nan 8.360 nan 0.000 0.473 253 c N 1.721 120.318 118.600 -0.005 0.000 2.466 253 c HA 0.240 4.807 4.570 -0.006 0.000 0.278 253 c C 3.003 177.075 174.090 -0.030 0.000 1.288 253 c CA 1.173 57.501 56.329 -0.003 0.000 1.722 253 c CB -0.894 41.629 42.510 0.022 0.000 2.017 253 c HN 0.496 nan 8.230 nan 0.000 0.488 254 A N 0.289 123.075 122.820 -0.056 0.000 1.883 254 A HA -0.190 4.127 4.320 -0.006 0.000 0.217 254 A C 2.023 179.577 177.584 -0.050 0.000 1.186 254 A CA 2.388 54.377 52.037 -0.080 0.000 0.624 254 A CB -0.981 17.963 19.000 -0.093 0.000 0.822 254 A HN 0.660 nan 8.150 nan 0.000 0.444 255 D N -0.056 120.322 120.400 -0.036 0.000 2.077 255 D HA -0.141 4.496 4.640 -0.006 0.000 0.193 255 D C 1.419 177.719 176.300 0.000 0.000 0.989 255 D CA 1.498 55.484 54.000 -0.024 0.000 0.831 255 D CB -0.352 40.430 40.800 -0.029 0.000 0.979 255 D HN 0.334 nan 8.370 nan 0.000 0.449 256 D N -0.095 120.311 120.400 0.010 0.000 2.158 256 D HA -0.179 4.458 4.640 -0.006 0.000 0.197 256 D C 2.122 178.441 176.300 0.032 0.000 0.995 256 D CA 0.693 54.709 54.000 0.026 0.000 0.846 256 D CB -0.274 40.542 40.800 0.026 0.000 0.941 256 D HN 0.229 nan 8.370 nan 0.000 0.456 257 R N 0.535 121.047 120.500 0.019 0.000 2.081 257 R HA -0.081 4.256 4.340 -0.006 0.000 0.235 257 R C 2.145 178.466 176.300 0.035 0.000 1.131 257 R CA 1.408 57.528 56.100 0.032 0.000 0.960 257 R CB -0.142 30.153 30.300 -0.009 0.000 0.856 257 R HN 0.115 nan 8.270 nan 0.000 0.436 258 A N 0.898 123.727 122.820 0.015 0.000 1.933 258 A HA -0.188 4.128 4.320 -0.006 0.000 0.218 258 A C 1.549 179.159 177.584 0.043 0.000 1.175 258 A CA 1.960 54.010 52.037 0.021 0.000 0.628 258 A CB -0.481 18.523 19.000 0.006 0.000 0.814 258 A HN 0.375 nan 8.150 nan 0.000 0.444 259 D N -0.569 119.861 120.400 0.049 0.000 2.097 259 D HA -0.100 4.536 4.640 -0.006 0.000 0.197 259 D C 1.823 178.183 176.300 0.101 0.000 0.984 259 D CA 1.093 55.133 54.000 0.068 0.000 0.826 259 D CB -0.414 40.422 40.800 0.060 0.000 0.973 259 D HN 0.322 nan 8.370 nan 0.000 0.460 260 L N 1.116 122.399 121.223 0.101 0.000 1.955 260 L HA -0.164 4.173 4.340 -0.006 0.000 0.213 260 L C 2.168 179.132 176.870 0.157 0.000 1.072 260 L CA 2.208 57.134 54.840 0.144 0.000 0.755 260 L CB -1.087 41.051 42.059 0.132 0.000 0.888 260 L HN 0.032 nan 8.230 nan 0.000 0.432 261 A N -0.404 122.483 122.820 0.112 0.000 1.915 261 A HA -0.346 3.971 4.320 -0.006 0.000 0.220 261 A C 2.430 180.054 177.584 0.065 0.000 1.198 261 A CA 2.474 54.562 52.037 0.085 0.000 0.647 261 A CB -0.904 18.131 19.000 0.059 0.000 0.825 261 A HN 0.524 nan 8.150 nan 0.000 0.456 262 K N -1.024 119.419 120.400 0.071 0.000 2.001 262 K HA -0.236 4.081 4.320 -0.006 0.000 0.214 262 K C 1.913 178.549 176.600 0.060 0.000 1.050 262 K CA 2.414 58.735 56.287 0.057 0.000 0.934 262 K CB -0.840 31.700 32.500 0.067 0.000 0.718 262 K HN 0.552 nan 8.250 nan 0.000 0.443 263 Y N 1.751 122.057 120.300 0.010 0.000 2.128 263 Y HA -0.200 4.351 4.550 0.001 0.000 0.284 263 Y C 2.185 178.077 175.900 -0.014 0.000 1.154 263 Y CA 1.936 60.038 58.100 0.003 0.000 1.149 263 Y CB -0.290 38.177 38.460 0.012 0.000 0.976 263 Y HN 0.042 nan 8.280 nan 0.000 0.505 264 I N -0.966 119.591 120.570 -0.022 0.000 2.127 264 I HA -0.418 3.749 4.170 -0.006 0.000 0.241 264 I C 2.487 178.477 176.117 -0.212 0.000 1.075 264 I CA 1.683 62.903 61.300 -0.134 0.000 1.334 264 I CB -1.109 36.884 38.000 -0.012 0.000 1.040 264 I HN 0.335 nan 8.210 nan 0.000 0.405 265 c N 0.758 119.285 118.600 -0.123 0.000 2.419 265 c HA -0.119 4.448 4.570 -0.006 0.000 0.281 265 c C 2.629 176.639 174.090 -0.133 0.000 1.336 265 c CA 0.727 56.991 56.329 -0.108 0.000 1.770 265 c CB -1.113 41.366 42.510 -0.052 0.000 1.929 265 c HN 0.503 nan 8.230 nan 0.000 0.509 266 E N 1.012 121.109 120.200 -0.172 0.000 2.016 266 E HA -0.118 4.228 4.350 -0.006 0.000 0.190 266 E C 1.125 177.595 176.600 -0.216 0.000 0.985 266 E CA 1.026 57.327 56.400 -0.165 0.000 0.802 266 E CB -0.373 29.226 29.700 -0.168 0.000 0.762 266 E HN 0.627 nan 8.360 nan 0.000 0.448 267 N N 1.453 119.930 118.700 -0.372 0.000 2.535 267 N HA -0.070 4.666 4.740 -0.006 0.000 0.203 267 N C 1.149 176.493 175.510 -0.276 0.000 1.301 267 N CA 0.063 52.889 53.050 -0.373 0.000 0.859 267 N CB 0.010 38.096 38.487 -0.669 0.000 1.055 267 N HN 0.185 nan 8.380 nan 0.000 0.457 268 Q N 0.800 120.466 119.800 -0.223 0.000 2.084 268 Q HA -0.286 4.051 4.340 -0.006 0.000 0.215 268 Q C 0.673 176.577 176.000 -0.159 0.000 1.020 268 Q CA 2.042 57.735 55.803 -0.184 0.000 0.887 268 Q CB 0.027 28.687 28.738 -0.130 0.000 0.975 268 Q HN 0.407 nan 8.270 nan 0.000 0.413 269 D N -0.741 119.588 120.400 -0.117 0.000 2.218 269 D HA -0.069 4.567 4.640 -0.006 0.000 0.204 269 D C 1.335 177.590 176.300 -0.075 0.000 0.976 269 D CA 1.152 55.102 54.000 -0.084 0.000 0.853 269 D CB -0.032 40.731 40.800 -0.060 0.000 0.939 269 D HN 0.175 nan 8.370 nan 0.000 0.481 270 S N -0.422 115.225 115.700 -0.089 0.000 2.634 270 S HA 0.228 4.694 4.470 -0.006 0.000 0.221 270 S C 1.675 176.234 174.600 -0.068 0.000 0.952 270 S CA -0.157 58.008 58.200 -0.058 0.000 0.930 270 S CB 0.661 63.832 63.200 -0.049 0.000 0.780 270 S HN 0.259 nan 8.310 nan 0.000 0.498 271 I N -0.876 119.612 120.570 -0.137 0.000 3.623 271 I HA 0.262 4.428 4.170 -0.006 0.000 0.253 271 I C 0.587 176.556 176.117 -0.246 0.000 1.144 271 I CA 0.130 61.291 61.300 -0.231 0.000 1.461 271 I CB 0.474 38.225 38.000 -0.414 0.000 1.575 271 I HN 0.168 nan 8.210 nan 0.000 0.445 272 S N -0.329 115.219 115.700 -0.254 0.000 2.547 272 S HA 0.242 4.709 4.470 -0.006 0.000 0.270 272 S C 0.329 174.876 174.600 -0.088 0.000 1.150 272 S CA -0.037 58.079 58.200 -0.139 0.000 0.850 272 S CB 1.591 64.688 63.200 -0.173 0.000 1.118 272 S HN 0.282 nan 8.310 nan 0.000 0.461 273 S N 2.404 118.086 115.700 -0.029 0.000 2.528 273 S HA 0.178 4.645 4.470 -0.006 0.000 0.219 273 S C 0.841 175.435 174.600 -0.010 0.000 0.985 273 S CA -0.067 58.120 58.200 -0.022 0.000 0.914 273 S CB -0.174 63.020 63.200 -0.009 0.000 0.776 273 S HN 0.635 nan 8.310 nan 0.000 0.526 274 K N 1.000 121.404 120.400 0.007 0.000 2.404 274 K HA 0.324 4.640 4.320 -0.006 0.000 0.194 274 K C 0.987 177.598 176.600 0.018 0.000 1.023 274 K CA 0.054 56.355 56.287 0.025 0.000 1.094 274 K CB -0.084 32.451 32.500 0.058 0.000 0.841 274 K HN 0.436 nan 8.250 nan 0.000 0.523 275 L N 1.142 122.356 121.223 -0.016 0.000 2.509 275 L HA -0.024 4.312 4.340 -0.006 0.000 0.222 275 L C 2.191 179.048 176.870 -0.022 0.000 1.123 275 L CA 0.387 55.211 54.840 -0.026 0.000 0.856 275 L CB -0.219 41.787 42.059 -0.087 0.000 0.985 275 L HN 0.141 nan 8.230 nan 0.000 0.456 276 K N 0.416 120.803 120.400 -0.021 0.000 2.044 276 K HA -0.229 4.087 4.320 -0.006 0.000 0.210 276 K C 1.473 178.071 176.600 -0.003 0.000 1.049 276 K CA 1.628 57.906 56.287 -0.016 0.000 0.927 276 K CB -0.450 32.042 32.500 -0.013 0.000 0.713 276 K HN 0.321 nan 8.250 nan 0.000 0.443 277 E N 0.919 121.124 120.200 0.007 0.000 2.085 277 E HA -0.183 4.163 4.350 -0.006 0.000 0.194 277 E C 2.398 179.011 176.600 0.021 0.000 0.994 277 E CA 1.616 58.026 56.400 0.017 0.000 0.801 277 E CB -0.461 29.254 29.700 0.026 0.000 0.743 277 E HN 0.439 nan 8.360 nan 0.000 0.453 278 c N 0.789 119.402 118.600 0.021 0.000 2.462 278 c HA -0.110 4.457 4.570 -0.006 0.000 0.278 278 c C 2.893 176.992 174.090 0.014 0.000 1.253 278 c CA 0.318 56.662 56.329 0.024 0.000 1.713 278 c CB -0.927 41.598 42.510 0.025 0.000 2.049 278 c HN 0.527 nan 8.230 nan 0.000 0.477 279 c N 1.205 119.805 118.600 0.001 0.000 2.434 279 c HA -0.064 4.503 4.570 -0.006 0.000 0.298 279 c C 1.488 175.578 174.090 -0.000 0.000 1.495 279 c CA 0.843 57.169 56.329 -0.006 0.000 1.756 279 c CB -2.284 40.212 42.510 -0.024 0.000 1.647 279 c HN 0.633 nan 8.230 nan 0.000 0.579 280 E N 0.270 120.474 120.200 0.006 0.000 2.609 280 E HA 0.158 4.505 4.350 -0.006 0.000 0.208 280 E C 0.057 176.667 176.600 0.017 0.000 1.013 280 E CA 0.069 56.475 56.400 0.009 0.000 1.093 280 E CB 0.372 30.077 29.700 0.008 0.000 1.129 280 E HN 0.625 nan 8.360 nan 0.000 0.450 281 K N 0.987 121.398 120.400 0.019 0.000 2.395 281 K HA 0.433 4.749 4.320 -0.006 0.000 0.247 281 K C -2.786 173.831 176.600 0.029 0.000 0.973 281 K CA -2.406 53.898 56.287 0.028 0.000 0.828 281 K CB 1.668 34.187 32.500 0.032 0.000 1.272 281 K HN -0.176 nan 8.250 nan 0.000 0.439 282 P HA -0.048 nan 4.420 nan 0.000 0.265 282 P C 0.678 178.001 177.300 0.039 0.000 1.193 282 P CA -0.119 63.007 63.100 0.043 0.000 0.765 282 P CB 0.458 32.195 31.700 0.062 0.000 0.823 283 L N 4.839 126.081 121.223 0.031 0.000 2.077 283 L HA -0.303 4.033 4.340 -0.006 0.000 0.231 283 L C 1.898 178.777 176.870 0.015 0.000 1.100 283 L CA 2.101 56.954 54.840 0.022 0.000 0.819 283 L CB -1.084 40.988 42.059 0.021 0.000 0.913 283 L HN 0.397 nan 8.230 nan 0.000 0.446 284 L N -1.223 120.024 121.223 0.039 0.000 1.971 284 L HA -0.281 4.055 4.340 -0.006 0.000 0.215 284 L C 2.591 179.397 176.870 -0.107 0.000 1.072 284 L CA 2.134 56.999 54.840 0.041 0.000 0.758 284 L CB -0.812 41.359 42.059 0.188 0.000 0.889 284 L HN 0.360 nan 8.230 nan 0.000 0.433 285 E N 0.024 120.188 120.200 -0.060 0.000 2.085 285 E HA -0.246 4.100 4.350 -0.006 0.000 0.194 285 E C 2.083 178.608 176.600 -0.125 0.000 0.994 285 E CA 1.230 57.514 56.400 -0.194 0.000 0.801 285 E CB -0.187 29.555 29.700 0.069 0.000 0.743 285 E HN 0.276 nan 8.360 nan 0.000 0.453 286 K N 0.305 120.683 120.400 -0.035 0.000 2.074 286 K HA -0.169 4.148 4.320 -0.006 0.000 0.209 286 K C 2.137 178.736 176.600 -0.003 0.000 1.048 286 K CA 1.640 57.924 56.287 -0.005 0.000 0.926 286 K CB -0.129 32.376 32.500 0.009 0.000 0.713 286 K HN 0.011 nan 8.250 nan 0.000 0.444 287 S N -0.539 115.148 115.700 -0.022 0.000 2.383 287 S HA -0.147 4.320 4.470 -0.006 0.000 0.227 287 S C 1.675 176.282 174.600 0.011 0.000 1.026 287 S CA 1.347 59.549 58.200 0.004 0.000 0.981 287 S CB -0.336 62.857 63.200 -0.012 0.000 0.818 287 S HN 0.576 nan 8.310 nan 0.000 0.472 288 H N -0.342 118.602 119.070 -0.210 0.000 2.363 288 H HA -0.024 4.528 4.556 -0.007 0.000 0.301 288 H C 2.431 177.706 175.328 -0.088 0.000 1.074 288 H CA 1.768 57.682 56.048 -0.224 0.000 1.354 288 H CB -0.635 28.715 29.762 -0.687 0.000 1.397 288 H HN 0.404 nan 8.280 nan 0.000 0.516 289 c N 0.333 118.966 118.600 0.056 0.000 2.418 289 c HA -0.173 4.394 4.570 -0.006 0.000 0.280 289 c C 2.750 176.859 174.090 0.032 0.000 1.223 289 c CA 1.482 57.851 56.329 0.065 0.000 1.736 289 c CB -1.329 41.221 42.510 0.065 0.000 2.056 289 c HN 0.736 nan 8.230 nan 0.000 0.459 290 I N 1.374 121.977 120.570 0.055 0.000 2.185 290 I HA -0.279 3.888 4.170 -0.006 0.000 0.246 290 I C 2.787 178.981 176.117 0.128 0.000 1.088 290 I CA 1.956 63.319 61.300 0.105 0.000 1.347 290 I CB -0.688 37.378 38.000 0.111 0.000 1.041 290 I HN 0.508 nan 8.210 nan 0.000 0.415 291 A N -0.149 122.720 122.820 0.082 0.000 1.972 291 A HA -0.153 4.163 4.320 -0.006 0.000 0.219 291 A C 1.878 179.473 177.584 0.018 0.000 1.169 291 A CA 1.474 53.562 52.037 0.086 0.000 0.635 291 A CB -0.225 18.835 19.000 0.100 0.000 0.810 291 A HN 0.411 nan 8.150 nan 0.000 0.446 292 E N -0.395 119.768 120.200 -0.062 0.000 2.569 292 E HA 0.207 4.554 4.350 -0.006 0.000 0.205 292 E C -0.332 176.273 176.600 0.008 0.000 1.006 292 E CA -0.278 56.087 56.400 -0.058 0.000 0.985 292 E CB 0.259 29.861 29.700 -0.164 0.000 1.060 292 E HN 0.253 nan 8.360 nan 0.000 0.460 293 V N 1.832 121.777 119.914 0.051 0.000 2.872 293 V HA -0.065 4.052 4.120 -0.006 0.000 0.307 293 V C 0.623 176.757 176.094 0.066 0.000 1.072 293 V CA 0.275 62.627 62.300 0.086 0.000 1.148 293 V CB 1.037 32.958 31.823 0.164 0.000 0.954 293 V HN 0.234 nan 8.190 nan 0.000 0.490 294 E N 4.958 125.196 120.200 0.064 0.000 2.373 294 E HA 0.114 4.461 4.350 -0.006 0.000 0.263 294 E C -0.212 176.417 176.600 0.048 0.000 1.073 294 E CA -0.752 55.674 56.400 0.043 0.000 0.894 294 E CB 0.524 30.250 29.700 0.044 0.000 1.008 294 E HN 0.775 nan 8.360 nan 0.000 0.420 295 N N 3.251 121.957 118.700 0.010 0.000 2.458 295 N HA -0.046 4.691 4.740 -0.006 0.000 0.258 295 N C -0.361 175.170 175.510 0.036 0.000 1.219 295 N CA 0.187 53.239 53.050 0.003 0.000 0.902 295 N CB 0.518 38.978 38.487 -0.045 0.000 1.076 295 N HN 0.525 nan 8.380 nan 0.000 0.455 296 D N 0.744 121.190 120.400 0.077 0.000 2.371 296 D HA 0.011 4.648 4.640 -0.006 0.000 0.242 296 D C -0.219 176.095 176.300 0.023 0.000 1.218 296 D CA -0.110 53.932 54.000 0.069 0.000 0.945 296 D CB 0.691 41.562 40.800 0.118 0.000 1.137 296 D HN 0.248 nan 8.370 nan 0.000 0.464 297 E N 1.067 121.273 120.200 0.011 0.000 2.360 297 E HA 0.040 4.387 4.350 -0.006 0.000 0.269 297 E C 0.100 176.685 176.600 -0.024 0.000 1.022 297 E CA -0.128 56.265 56.400 -0.012 0.000 0.887 297 E CB 0.622 30.315 29.700 -0.012 0.000 0.990 297 E HN 0.487 nan 8.360 nan 0.000 0.426 298 M N 3.760 123.330 119.600 -0.051 0.000 2.228 298 M HA 0.129 4.605 4.480 -0.006 0.000 0.351 298 M C -2.166 174.095 176.300 -0.065 0.000 1.233 298 M CA -1.288 53.966 55.300 -0.077 0.000 1.129 298 M CB 0.460 32.990 32.600 -0.117 0.000 1.604 298 M HN 0.057 nan 8.290 nan 0.000 0.457 299 P HA -0.011 nan 4.420 nan 0.000 0.265 299 P C -0.568 176.698 177.300 -0.057 0.000 1.187 299 P CA 0.144 63.215 63.100 -0.047 0.000 0.766 299 P CB 0.626 32.299 31.700 -0.045 0.000 0.820 300 A N 2.487 125.281 122.820 -0.043 0.000 1.872 300 A HA -0.110 4.207 4.320 -0.006 0.000 0.214 300 A C 1.199 178.755 177.584 -0.047 0.000 1.187 300 A CA 1.372 53.383 52.037 -0.045 0.000 0.614 300 A CB -0.883 18.098 19.000 -0.033 0.000 0.826 300 A HN 0.553 nan 8.150 nan 0.000 0.442 301 D N 0.408 120.785 120.400 -0.039 0.000 2.713 301 D HA 0.350 4.987 4.640 -0.006 0.000 0.229 301 D C -0.777 175.496 176.300 -0.045 0.000 1.136 301 D CA 0.066 54.044 54.000 -0.037 0.000 1.010 301 D CB -0.350 40.435 40.800 -0.025 0.000 1.084 301 D HN 0.179 nan 8.370 nan 0.000 0.495 302 L N 3.857 125.042 121.223 -0.063 0.000 2.265 302 L HA 0.412 4.749 4.340 -0.006 0.000 0.289 302 L C -1.241 175.585 176.870 -0.074 0.000 1.033 302 L CA -1.590 53.203 54.840 -0.078 0.000 0.814 302 L CB 1.144 43.135 42.059 -0.114 0.000 1.203 302 L HN 0.276 nan 8.230 nan 0.000 0.423 303 P HA 0.015 nan 4.420 nan 0.000 0.281 303 P C -0.431 176.833 177.300 -0.060 0.000 1.274 303 P CA -0.376 62.693 63.100 -0.053 0.000 0.794 303 P CB 0.710 32.384 31.700 -0.043 0.000 1.201 304 S N -1.585 114.084 115.700 -0.051 0.000 2.509 304 S HA 0.322 4.788 4.470 -0.006 0.000 0.297 304 S C 1.319 175.912 174.600 -0.011 0.000 1.118 304 S CA -0.825 57.346 58.200 -0.049 0.000 1.074 304 S CB 0.308 63.469 63.200 -0.065 0.000 1.038 304 S HN 0.343 nan 8.310 nan 0.000 0.498 305 L N 3.679 124.936 121.223 0.057 0.000 2.109 305 L HA 0.037 4.373 4.340 -0.006 0.000 0.207 305 L C 2.857 179.871 176.870 0.241 0.000 1.086 305 L CA 1.299 56.292 54.840 0.255 0.000 0.760 305 L CB -0.871 41.481 42.059 0.488 0.000 0.910 305 L HN 0.828 nan 8.230 nan 0.000 0.437 306 A N 0.700 123.525 122.820 0.008 0.000 1.940 306 A HA -0.319 3.997 4.320 -0.006 0.000 0.221 306 A C 2.555 180.149 177.584 0.016 0.000 1.190 306 A CA 2.292 54.250 52.037 -0.131 0.000 0.647 306 A CB -0.811 17.969 19.000 -0.366 0.000 0.821 306 A HN 0.439 nan 8.150 nan 0.000 0.457 307 A N 0.007 122.819 122.820 -0.012 0.000 1.902 307 A HA -0.153 4.164 4.320 -0.006 0.000 0.217 307 A C 1.656 179.228 177.584 -0.020 0.000 1.181 307 A CA 1.974 54.005 52.037 -0.011 0.000 0.623 307 A CB -0.619 18.361 19.000 -0.033 0.000 0.818 307 A HN 0.607 nan 8.150 nan 0.000 0.443 308 D N -1.780 118.548 120.400 -0.120 0.000 2.271 308 D HA 0.078 4.714 4.640 -0.006 0.000 0.206 308 D C 0.855 176.979 176.300 -0.294 0.000 0.967 308 D CA 0.639 54.462 54.000 -0.294 0.000 0.867 308 D CB -0.087 40.360 40.800 -0.587 0.000 0.960 308 D HN 0.475 nan 8.370 nan 0.000 0.509 309 F N -0.384 119.701 119.950 0.225 0.000 2.704 309 F HA 0.301 4.824 4.527 -0.006 0.000 0.304 309 F C 1.447 177.398 175.800 0.251 0.000 1.094 309 F CA -0.041 58.125 58.000 0.277 0.000 1.275 309 F CB 0.790 39.888 39.000 0.164 0.000 1.073 309 F HN -0.165 nan 8.300 nan 0.000 0.586 310 V N -1.752 118.373 119.914 0.351 0.000 3.264 310 V HA 0.086 4.203 4.120 -0.006 0.000 0.262 310 V C 1.360 177.647 176.094 0.323 0.000 1.616 310 V CA 0.393 62.890 62.300 0.328 0.000 1.033 310 V CB 0.803 32.861 31.823 0.392 0.000 0.865 310 V HN 0.091 nan 8.190 nan 0.000 0.420 311 E N -0.016 120.306 120.200 0.204 0.000 2.330 311 E HA 0.142 4.488 4.350 -0.006 0.000 0.200 311 E C 1.044 177.732 176.600 0.147 0.000 0.922 311 E CA 0.269 56.760 56.400 0.150 0.000 0.935 311 E CB 0.588 30.322 29.700 0.056 0.000 0.917 311 E HN 0.326 nan 8.360 nan 0.000 0.491 312 S N 2.003 117.789 115.700 0.143 0.000 2.596 312 S HA -0.059 4.407 4.470 -0.006 0.000 0.298 312 S C 0.931 175.661 174.600 0.217 0.000 1.255 312 S CA -0.090 58.188 58.200 0.129 0.000 1.083 312 S CB 0.261 63.528 63.200 0.112 0.000 0.837 312 S HN 0.187 nan 8.310 nan 0.000 0.499 313 K N 3.309 123.789 120.400 0.133 0.000 2.611 313 K HA 0.087 4.404 4.320 -0.006 0.000 0.193 313 K C -0.317 176.508 176.600 0.375 0.000 1.026 313 K CA 0.431 56.837 56.287 0.199 0.000 1.063 313 K CB 0.047 32.450 32.500 -0.162 0.000 0.839 313 K HN 0.501 nan 8.250 nan 0.000 0.505 314 D N 1.113 121.659 120.400 0.243 0.000 2.720 314 D HA 0.047 4.684 4.640 -0.006 0.000 0.285 314 D C 0.934 177.314 176.300 0.134 0.000 1.359 314 D CA -0.044 54.058 54.000 0.170 0.000 0.818 314 D CB 1.055 41.922 40.800 0.111 0.000 1.108 314 D HN -0.047 nan 8.370 nan 0.000 0.474 315 V N 0.078 120.104 119.914 0.186 0.000 2.453 315 V HA -0.216 3.901 4.120 -0.006 0.000 0.247 315 V C 2.522 178.568 176.094 -0.081 0.000 1.048 315 V CA 1.276 63.617 62.300 0.067 0.000 1.049 315 V CB -0.343 31.512 31.823 0.054 0.000 0.672 315 V HN 0.415 nan 8.190 nan 0.000 0.457 316 c N -0.329 118.295 118.600 0.040 0.000 2.432 316 c HA -0.096 4.471 4.570 -0.006 0.000 0.282 316 c C 2.730 176.813 174.090 -0.011 0.000 1.388 316 c CA 0.972 57.318 56.329 0.029 0.000 1.777 316 c CB -0.919 41.627 42.510 0.060 0.000 1.882 316 c HN 0.589 nan 8.230 nan 0.000 0.520 317 K N 1.309 121.701 120.400 -0.014 0.000 2.002 317 K HA -0.122 4.195 4.320 -0.006 0.000 0.209 317 K C 1.909 178.468 176.600 -0.068 0.000 1.048 317 K CA 1.439 57.714 56.287 -0.020 0.000 0.930 317 K CB -0.169 32.341 32.500 0.017 0.000 0.714 317 K HN 0.454 nan 8.250 nan 0.000 0.438 318 N N -0.296 118.325 118.700 -0.131 0.000 2.188 318 N HA -0.174 4.562 4.740 -0.006 0.000 0.184 318 N C 1.725 177.035 175.510 -0.333 0.000 1.018 318 N CA 0.993 53.931 53.050 -0.187 0.000 0.858 318 N CB -0.220 38.176 38.487 -0.151 0.000 0.989 318 N HN 0.265 nan 8.380 nan 0.000 0.426 319 Y N 1.823 121.711 120.300 -0.687 0.000 2.352 319 Y HA -0.016 4.530 4.550 -0.006 0.000 0.292 319 Y C 2.231 178.004 175.900 -0.212 0.000 1.136 319 Y CA 0.902 58.689 58.100 -0.521 0.000 1.227 319 Y CB -0.293 37.861 38.460 -0.509 0.000 0.991 319 Y HN 0.031 nan 8.280 nan 0.000 0.545 320 A N 0.068 122.762 122.820 -0.210 0.000 1.855 320 A HA -0.100 4.216 4.320 -0.006 0.000 0.213 320 A C 2.083 179.570 177.584 -0.162 0.000 1.195 320 A CA 1.417 53.333 52.037 -0.202 0.000 0.610 320 A CB -0.645 18.299 19.000 -0.093 0.000 0.837 320 A HN 0.536 nan 8.150 nan 0.000 0.444 321 E N -0.206 119.935 120.200 -0.099 0.000 2.007 321 E HA -0.038 4.308 4.350 -0.006 0.000 0.203 321 E C 0.813 177.387 176.600 -0.044 0.000 1.020 321 E CA 1.211 57.582 56.400 -0.048 0.000 0.845 321 E CB -0.172 29.523 29.700 -0.009 0.000 0.779 321 E HN 0.498 nan 8.360 nan 0.000 0.466 322 A N 0.811 123.623 122.820 -0.014 0.000 2.893 322 A HA 0.171 4.487 4.320 -0.006 0.000 0.333 322 A C 0.651 178.274 177.584 0.065 0.000 1.152 322 A CA -0.555 51.499 52.037 0.027 0.000 0.782 322 A CB 0.232 19.285 19.000 0.088 0.000 1.108 322 A HN 0.264 nan 8.150 nan 0.000 0.469 323 K N 0.126 120.480 120.400 -0.077 0.000 2.211 323 K HA -0.184 4.133 4.320 -0.006 0.000 0.204 323 K C 0.404 177.132 176.600 0.214 0.000 1.047 323 K CA 2.115 58.381 56.287 -0.035 0.000 0.935 323 K CB 0.005 32.129 32.500 -0.627 0.000 0.728 323 K HN 0.373 nan 8.250 nan 0.000 0.452 324 D N 0.476 120.962 120.400 0.143 0.000 2.194 324 D HA -0.044 4.592 4.640 -0.006 0.000 0.204 324 D C 1.774 178.208 176.300 0.223 0.000 0.964 324 D CA 0.590 54.695 54.000 0.176 0.000 0.846 324 D CB 0.304 41.178 40.800 0.122 0.000 0.962 324 D HN 0.058 nan 8.370 nan 0.000 0.490 325 V N 0.203 120.256 119.914 0.232 0.000 2.535 325 V HA -0.112 4.005 4.120 -0.006 0.000 0.246 325 V C 1.884 178.103 176.094 0.208 0.000 1.045 325 V CA 0.787 63.235 62.300 0.247 0.000 1.058 325 V CB -0.416 31.549 31.823 0.237 0.000 0.689 325 V HN 0.153 nan 8.190 nan 0.000 0.461 326 F N 0.854 120.891 119.950 0.144 0.000 2.046 326 F HA -0.223 4.301 4.527 -0.005 0.000 0.297 326 F C 2.093 178.037 175.800 0.240 0.000 1.123 326 F CA 1.889 60.017 58.000 0.213 0.000 1.199 326 F CB -0.352 38.821 39.000 0.288 0.000 0.972 326 F HN 0.012 nan 8.300 nan 0.000 0.474 327 L N -0.187 121.268 121.223 0.387 0.000 2.079 327 L HA -0.203 4.134 4.340 -0.006 0.000 0.210 327 L C 2.738 179.702 176.870 0.157 0.000 1.081 327 L CA 1.313 56.323 54.840 0.282 0.000 0.752 327 L CB -1.629 40.622 42.059 0.320 0.000 0.896 327 L HN 0.396 nan 8.230 nan 0.000 0.433 328 G N -0.396 108.489 108.800 0.142 0.000 2.418 328 G HA2 -0.243 3.713 3.960 -0.006 0.000 0.217 328 G HA3 -0.243 3.713 3.960 -0.006 0.000 0.217 328 G C 1.639 176.533 174.900 -0.010 0.000 1.158 328 G CA 0.566 45.761 45.100 0.159 0.000 0.771 328 G HN 0.188 nan 8.290 nan 0.000 0.545 329 M N -0.503 118.895 119.600 -0.337 0.000 2.117 329 M HA 0.041 4.518 4.480 -0.006 0.000 0.262 329 M C 2.321 178.518 176.300 -0.172 0.000 1.065 329 M CA 1.203 56.240 55.300 -0.438 0.000 1.114 329 M CB -0.374 31.980 32.600 -0.409 0.000 1.361 329 M HN 0.284 nan 8.290 nan 0.000 0.408 330 F N 1.200 120.820 119.950 -0.551 0.000 2.102 330 F HA -0.240 4.284 4.527 -0.004 0.000 0.298 330 F C 1.971 177.520 175.800 -0.417 0.000 1.105 330 F CA 1.408 58.790 58.000 -1.029 0.000 1.239 330 F CB -0.407 37.826 39.000 -1.279 0.000 0.991 330 F HN -0.012 nan 8.300 nan 0.000 0.474 331 L N 0.060 121.102 121.223 -0.301 0.000 2.017 331 L HA -0.192 4.145 4.340 -0.006 0.000 0.208 331 L C 2.288 179.068 176.870 -0.150 0.000 1.073 331 L CA 2.196 56.897 54.840 -0.231 0.000 0.745 331 L CB -1.634 40.416 42.059 -0.015 0.000 0.894 331 L HN 0.433 nan 8.230 nan 0.000 0.432 332 Y N 0.902 121.117 120.300 -0.142 0.000 1.993 332 Y HA -0.321 4.224 4.550 -0.007 0.000 0.267 332 Y C 2.420 178.255 175.900 -0.108 0.000 1.155 332 Y CA 2.428 60.505 58.100 -0.039 0.000 1.105 332 Y CB -0.732 37.800 38.460 0.119 0.000 0.960 332 Y HN 0.346 nan 8.280 nan 0.000 0.486 333 E N -0.559 119.434 120.200 -0.345 0.000 2.048 333 E HA -0.322 4.024 4.350 -0.006 0.000 0.202 333 E C 2.197 178.564 176.600 -0.388 0.000 1.021 333 E CA 2.135 58.252 56.400 -0.472 0.000 0.825 333 E CB -1.290 28.323 29.700 -0.145 0.000 0.756 333 E HN 0.683 nan 8.360 nan 0.000 0.454 334 Y N 0.953 120.923 120.300 -0.549 0.000 2.256 334 Y HA -0.233 4.313 4.550 -0.005 0.000 0.288 334 Y C 2.350 178.110 175.900 -0.234 0.000 1.155 334 Y CA 1.510 59.346 58.100 -0.440 0.000 1.203 334 Y CB -0.242 37.716 38.460 -0.837 0.000 0.980 334 Y HN 0.079 nan 8.280 nan 0.000 0.530 335 A N 0.366 123.124 122.820 -0.103 0.000 1.935 335 A HA -0.097 4.219 4.320 -0.006 0.000 0.214 335 A C 2.260 179.752 177.584 -0.154 0.000 1.178 335 A CA 1.114 53.102 52.037 -0.082 0.000 0.640 335 A CB -0.594 18.342 19.000 -0.106 0.000 0.825 335 A HN 0.536 nan 8.150 nan 0.000 0.447 336 R N -0.224 120.128 120.500 -0.248 0.000 2.193 336 R HA -0.054 4.282 4.340 -0.006 0.000 0.229 336 R C 1.629 177.759 176.300 -0.283 0.000 1.110 336 R CA 1.566 57.497 56.100 -0.281 0.000 0.988 336 R CB -0.309 29.713 30.300 -0.464 0.000 0.871 336 R HN 0.448 nan 8.270 nan 0.000 0.458 337 R N -0.617 119.680 120.500 -0.338 0.000 2.223 337 R HA 0.137 4.474 4.340 -0.006 0.000 0.198 337 R C 0.117 176.044 176.300 -0.620 0.000 0.984 337 R CA 0.269 56.098 56.100 -0.451 0.000 1.018 337 R CB 0.334 30.317 30.300 -0.527 0.000 0.945 337 R HN 0.292 nan 8.270 nan 0.000 0.479 338 H N 1.283 120.152 119.070 -0.336 0.000 2.645 338 H HA 0.172 4.725 4.556 -0.005 0.000 0.257 338 H C -1.918 173.243 175.328 -0.278 0.000 1.269 338 H CA -1.820 53.989 56.048 -0.398 0.000 1.409 338 H CB 1.676 31.095 29.762 -0.571 0.000 1.434 338 H HN 0.036 nan 8.280 nan 0.000 0.505 339 P HA 0.004 nan 4.420 nan 0.000 0.261 339 P C 0.625 177.879 177.300 -0.076 0.000 1.268 339 P CA 0.322 63.354 63.100 -0.112 0.000 0.833 339 P CB 0.528 32.157 31.700 -0.117 0.000 1.231 340 D N -1.726 118.622 120.400 -0.087 0.000 2.342 340 D HA -0.022 4.614 4.640 -0.006 0.000 0.221 340 D C -0.194 176.181 176.300 0.125 0.000 1.101 340 D CA -0.157 53.830 54.000 -0.022 0.000 0.837 340 D CB -0.213 40.563 40.800 -0.041 0.000 0.938 340 D HN 0.057 nan 8.370 nan 0.000 0.508 341 Y N 1.342 121.649 120.300 0.013 0.000 2.509 341 Y HA 0.337 4.884 4.550 -0.005 0.000 0.341 341 Y C 0.558 176.421 175.900 -0.061 0.000 1.038 341 Y CA -2.565 55.515 58.100 -0.034 0.000 1.089 341 Y CB 1.860 40.279 38.460 -0.069 0.000 1.241 341 Y HN -0.132 nan 8.280 nan 0.000 0.468 342 S N 0.020 115.775 115.700 0.092 0.000 2.499 342 S HA 0.248 4.715 4.470 -0.006 0.000 0.275 342 S C 0.918 175.500 174.600 -0.029 0.000 1.257 342 S CA -0.703 57.503 58.200 0.011 0.000 1.050 342 S CB 1.089 64.286 63.200 -0.005 0.000 0.937 342 S HN 0.446 nan 8.310 nan 0.000 0.490 343 V N 3.380 123.251 119.914 -0.071 0.000 2.428 343 V HA -0.264 3.852 4.120 -0.006 0.000 0.255 343 V C 2.493 178.530 176.094 -0.095 0.000 1.080 343 V CA 2.302 64.510 62.300 -0.154 0.000 1.083 343 V CB -1.356 30.253 31.823 -0.356 0.000 0.665 343 V HN 0.938 nan 8.190 nan 0.000 0.461 344 V N -1.618 118.278 119.914 -0.030 0.000 2.358 344 V HA -0.168 3.949 4.120 -0.006 0.000 0.246 344 V C 2.328 178.361 176.094 -0.101 0.000 1.047 344 V CA 1.911 64.192 62.300 -0.033 0.000 1.035 344 V CB -0.932 30.881 31.823 -0.018 0.000 0.658 344 V HN 0.468 nan 8.190 nan 0.000 0.452 345 L N 0.371 121.516 121.223 -0.130 0.000 2.046 345 L HA -0.051 4.286 4.340 -0.006 0.000 0.208 345 L C 2.273 178.992 176.870 -0.253 0.000 1.077 345 L CA 1.847 56.555 54.840 -0.220 0.000 0.747 345 L CB -0.768 41.115 42.059 -0.294 0.000 0.896 345 L HN 0.282 nan 8.230 nan 0.000 0.432 346 L N -1.150 119.966 121.223 -0.178 0.000 2.265 346 L HA -0.204 4.133 4.340 -0.006 0.000 0.215 346 L C 2.346 179.098 176.870 -0.196 0.000 1.117 346 L CA 0.911 55.645 54.840 -0.176 0.000 0.782 346 L CB -0.445 41.563 42.059 -0.084 0.000 0.914 346 L HN 0.357 nan 8.230 nan 0.000 0.441 347 L N -1.264 119.866 121.223 -0.155 0.000 2.162 347 L HA -0.052 4.285 4.340 -0.006 0.000 0.205 347 L C 2.680 179.465 176.870 -0.142 0.000 1.086 347 L CA 0.637 55.409 54.840 -0.114 0.000 0.778 347 L CB -0.387 41.631 42.059 -0.069 0.000 0.928 347 L HN 0.126 nan 8.230 nan 0.000 0.446 348 R N 0.310 120.702 120.500 -0.179 0.000 2.120 348 R HA -0.108 4.229 4.340 -0.006 0.000 0.234 348 R C 2.226 178.357 176.300 -0.282 0.000 1.123 348 R CA 1.156 57.139 56.100 -0.195 0.000 0.975 348 R CB -0.305 29.876 30.300 -0.199 0.000 0.866 348 R HN 0.347 nan 8.270 nan 0.000 0.446 349 L N -0.230 120.739 121.223 -0.425 0.000 2.072 349 L HA -0.066 4.270 4.340 -0.006 0.000 0.205 349 L C 2.702 179.309 176.870 -0.438 0.000 1.079 349 L CA 1.126 55.529 54.840 -0.728 0.000 0.752 349 L CB -0.749 40.636 42.059 -1.122 0.000 0.906 349 L HN 0.203 nan 8.230 nan 0.000 0.436 350 A N 0.569 123.277 122.820 -0.186 0.000 1.858 350 A HA -0.259 4.058 4.320 -0.006 0.000 0.216 350 A C 2.320 179.887 177.584 -0.029 0.000 1.190 350 A CA 2.012 54.061 52.037 0.020 0.000 0.617 350 A CB -0.491 18.567 19.000 0.097 0.000 0.827 350 A HN 0.205 nan 8.150 nan 0.000 0.443 351 K N -0.174 120.192 120.400 -0.057 0.000 2.089 351 K HA -0.140 4.177 4.320 -0.006 0.000 0.210 351 K C 1.889 178.458 176.600 -0.051 0.000 1.048 351 K CA 2.490 58.752 56.287 -0.042 0.000 0.926 351 K CB -1.167 31.299 32.500 -0.056 0.000 0.714 351 K HN 0.446 nan 8.250 nan 0.000 0.448 352 T N -0.247 114.262 114.554 -0.074 0.000 2.904 352 T HA -0.108 4.238 4.350 -0.006 0.000 0.267 352 T C 1.302 176.017 174.700 0.025 0.000 1.059 352 T CA 1.171 63.260 62.100 -0.018 0.000 1.137 352 T CB -0.440 68.429 68.868 0.001 0.000 0.879 352 T HN 0.277 nan 8.240 nan 0.000 0.467 353 Y N 2.000 122.188 120.300 -0.186 0.000 2.293 353 Y HA -0.014 4.533 4.550 -0.005 0.000 0.291 353 Y C 2.328 178.048 175.900 -0.300 0.000 1.137 353 Y CA 1.021 58.922 58.100 -0.332 0.000 1.202 353 Y CB -0.217 37.763 38.460 -0.800 0.000 0.990 353 Y HN 0.326 nan 8.280 nan 0.000 0.537 354 E N -0.614 119.456 120.200 -0.216 0.000 2.016 354 E HA -0.183 4.164 4.350 -0.006 0.000 0.190 354 E C 2.069 178.541 176.600 -0.213 0.000 0.985 354 E CA 2.195 58.457 56.400 -0.230 0.000 0.802 354 E CB -0.263 29.421 29.700 -0.027 0.000 0.762 354 E HN 0.509 nan 8.360 nan 0.000 0.448 355 T N -1.647 112.840 114.554 -0.111 0.000 2.788 355 T HA -0.110 4.237 4.350 -0.006 0.000 0.268 355 T C 2.035 176.668 174.700 -0.112 0.000 1.044 355 T CA 1.675 63.730 62.100 -0.075 0.000 1.139 355 T CB -0.859 67.987 68.868 -0.036 0.000 0.867 355 T HN 0.059 nan 8.240 nan 0.000 0.454 356 T N 1.948 116.417 114.554 -0.141 0.000 2.788 356 T HA 0.120 4.466 4.350 -0.006 0.000 0.268 356 T C 1.805 176.384 174.700 -0.202 0.000 1.044 356 T CA 0.962 62.985 62.100 -0.127 0.000 1.139 356 T CB -0.403 68.411 68.868 -0.090 0.000 0.867 356 T HN 0.301 nan 8.240 nan 0.000 0.454 357 L N 0.426 121.395 121.223 -0.424 0.000 2.131 357 L HA 0.002 4.339 4.340 -0.006 0.000 0.206 357 L C 2.840 179.518 176.870 -0.319 0.000 1.087 357 L CA 0.938 55.432 54.840 -0.578 0.000 0.767 357 L CB -0.356 40.927 42.059 -1.294 0.000 0.917 357 L HN 0.153 nan 8.230 nan 0.000 0.441 358 E N 0.446 120.537 120.200 -0.183 0.000 2.085 358 E HA -0.278 4.069 4.350 -0.006 0.000 0.194 358 E C 1.961 178.570 176.600 0.015 0.000 0.994 358 E CA 1.332 57.755 56.400 0.039 0.000 0.801 358 E CB -0.030 29.702 29.700 0.053 0.000 0.743 358 E HN 0.430 nan 8.360 nan 0.000 0.453 359 K N 0.395 120.781 120.400 -0.024 0.000 1.975 359 K HA -0.080 4.236 4.320 -0.006 0.000 0.210 359 K C 2.356 178.949 176.600 -0.011 0.000 1.041 359 K CA 1.562 57.841 56.287 -0.014 0.000 0.942 359 K CB -0.368 32.120 32.500 -0.020 0.000 0.729 359 K HN 0.092 nan 8.250 nan 0.000 0.439 360 c N 1.090 119.684 118.600 -0.011 0.000 2.411 360 c HA -0.098 4.469 4.570 -0.006 0.000 0.279 360 c C 2.622 176.719 174.090 0.012 0.000 1.288 360 c CA 0.443 56.777 56.329 0.008 0.000 1.764 360 c CB -1.030 41.527 42.510 0.077 0.000 1.974 360 c HN 0.638 nan 8.230 nan 0.000 0.498 361 c N 0.801 119.419 118.600 0.029 0.000 2.526 361 c HA 0.252 4.818 4.570 -0.006 0.000 0.286 361 c C 2.263 176.364 174.090 0.019 0.000 1.416 361 c CA 0.925 57.281 56.329 0.044 0.000 1.671 361 c CB -2.075 40.493 42.510 0.096 0.000 1.650 361 c HN 0.725 nan 8.230 nan 0.000 0.590 362 A N -0.668 122.152 122.820 -0.000 0.000 2.226 362 A HA 0.635 4.951 4.320 -0.006 0.000 0.207 362 A C 1.209 178.778 177.584 -0.025 0.000 1.293 362 A CA 0.662 52.695 52.037 -0.008 0.000 0.968 362 A CB -0.360 18.641 19.000 0.002 0.000 1.044 362 A HN 0.437 nan 8.150 nan 0.000 0.493 363 A N -0.225 122.573 122.820 -0.037 0.000 2.387 363 A HA 0.527 4.844 4.320 -0.006 0.000 0.251 363 A C 1.776 179.325 177.584 -0.059 0.000 1.113 363 A CA 0.464 52.473 52.037 -0.047 0.000 0.794 363 A CB -0.400 18.566 19.000 -0.057 0.000 1.069 363 A HN 1.340 nan 8.150 nan 0.000 0.506 364 A N -0.396 122.392 122.820 -0.053 0.000 1.852 364 A HA -0.076 4.241 4.320 -0.006 0.000 0.217 364 A C 0.738 178.276 177.584 -0.076 0.000 1.215 364 A CA 2.026 54.032 52.037 -0.051 0.000 0.641 364 A CB -0.443 18.533 19.000 -0.040 0.000 0.838 364 A HN 0.743 nan 8.150 nan 0.000 0.450 365 D N -1.717 118.625 120.400 -0.097 0.000 2.440 365 D HA 0.435 5.072 4.640 -0.006 0.000 0.239 365 D C -2.020 174.136 176.300 -0.241 0.000 1.084 365 D CA -1.458 52.453 54.000 -0.147 0.000 0.843 365 D CB 1.633 42.384 40.800 -0.082 0.000 1.097 365 D HN -0.023 nan 8.370 nan 0.000 0.531 366 P HA -0.089 nan 4.420 nan 0.000 0.215 366 P C 0.882 177.593 177.300 -0.982 0.000 1.157 366 P CA 1.183 63.959 63.100 -0.539 0.000 0.859 366 P CB 0.276 31.731 31.700 -0.408 0.000 0.786 367 H N -0.965 117.709 119.070 -0.659 0.000 2.496 367 H HA -0.157 4.396 4.556 -0.006 0.000 0.296 367 H C 1.991 177.054 175.328 -0.441 0.000 1.107 367 H CA 1.150 56.834 56.048 -0.607 0.000 1.263 367 H CB -0.212 29.432 29.762 -0.198 0.000 1.369 367 H HN 0.310 nan 8.280 nan 0.000 0.541 368 E N 0.087 120.138 120.200 -0.248 0.000 2.030 368 E HA -0.124 4.223 4.350 -0.006 0.000 0.189 368 E C 2.316 178.836 176.600 -0.133 0.000 0.974 368 E CA 1.170 57.489 56.400 -0.135 0.000 0.807 368 E CB 0.087 29.735 29.700 -0.086 0.000 0.771 368 E HN 0.627 nan 8.360 nan 0.000 0.451 369 c N 0.860 119.361 118.600 -0.165 0.000 2.467 369 c HA 0.031 4.597 4.570 -0.006 0.000 0.279 369 c C 2.685 176.782 174.090 0.011 0.000 1.347 369 c CA 0.144 56.432 56.329 -0.069 0.000 1.748 369 c CB -1.470 41.010 42.510 -0.050 0.000 1.977 369 c HN 0.586 nan 8.230 nan 0.000 0.501 370 Y N 2.237 122.536 120.300 -0.002 0.000 2.561 370 Y HA 0.470 5.017 4.550 -0.005 0.000 0.291 370 Y C 2.099 178.035 175.900 0.060 0.000 1.141 370 Y CA -0.379 57.726 58.100 0.009 0.000 1.303 370 Y CB -1.548 36.905 38.460 -0.012 0.000 1.015 370 Y HN 0.262 nan 8.280 nan 0.000 0.547 371 A N 1.001 123.980 122.820 0.265 0.000 2.225 371 A HA -0.089 4.227 4.320 -0.006 0.000 0.215 371 A C 1.868 179.552 177.584 0.166 0.000 1.164 371 A CA 1.179 53.361 52.037 0.242 0.000 0.710 371 A CB -0.599 18.467 19.000 0.110 0.000 0.780 371 A HN 0.562 nan 8.150 nan 0.000 0.473 372 K N -1.143 119.334 120.400 0.129 0.000 2.354 372 K HA 0.216 4.532 4.320 -0.006 0.000 0.194 372 K C 1.424 178.047 176.600 0.039 0.000 1.038 372 K CA 0.364 56.697 56.287 0.076 0.000 1.052 372 K CB 0.186 32.712 32.500 0.043 0.000 0.861 372 K HN 0.174 nan 8.250 nan 0.000 0.535 373 V N 1.334 121.261 119.914 0.023 0.000 2.233 373 V HA -0.337 3.780 4.120 -0.006 0.000 0.256 373 V C 1.711 177.402 176.094 -0.672 0.000 1.069 373 V CA 2.092 64.240 62.300 -0.252 0.000 1.054 373 V CB -0.630 31.046 31.823 -0.246 0.000 0.664 373 V HN 0.241 nan 8.190 nan 0.000 0.453 374 F N 0.140 119.719 119.950 -0.618 0.000 2.529 374 F HA -0.137 4.386 4.527 -0.006 0.000 0.297 374 F C 1.933 177.600 175.800 -0.222 0.000 1.114 374 F CA 1.707 59.374 58.000 -0.554 0.000 1.467 374 F CB -0.611 38.309 39.000 -0.133 0.000 1.096 374 F HN 0.261 nan 8.300 nan 0.000 0.586 375 D N -0.738 119.648 120.400 -0.024 0.000 2.301 375 D HA -0.031 4.605 4.640 -0.006 0.000 0.206 375 D C 1.876 178.196 176.300 0.034 0.000 0.979 375 D CA 0.552 54.577 54.000 0.043 0.000 0.874 375 D CB 0.018 40.843 40.800 0.042 0.000 0.968 375 D HN 0.209 nan 8.370 nan 0.000 0.510 376 E N -0.625 119.558 120.200 -0.028 0.000 2.482 376 E HA -0.055 4.292 4.350 -0.006 0.000 0.196 376 E C 0.903 177.661 176.600 0.262 0.000 1.047 376 E CA 0.175 56.617 56.400 0.070 0.000 0.869 376 E CB 0.196 29.925 29.700 0.049 0.000 0.836 376 E HN 0.295 nan 8.360 nan 0.000 0.520 377 F N 1.317 121.246 119.950 -0.037 0.000 2.179 377 F HA 0.019 4.543 4.527 -0.006 0.000 0.292 377 F C 2.051 177.820 175.800 -0.052 0.000 1.089 377 F CA 0.502 58.453 58.000 -0.081 0.000 1.295 377 F CB -0.806 38.131 39.000 -0.105 0.000 1.041 377 F HN -0.127 nan 8.300 nan 0.000 0.487 378 K N 0.383 120.907 120.400 0.208 0.000 2.023 378 K HA -0.251 4.066 4.320 -0.006 0.000 0.227 378 K C -0.255 176.376 176.600 0.052 0.000 1.054 378 K CA 2.624 58.981 56.287 0.118 0.000 0.977 378 K CB -1.909 30.656 32.500 0.108 0.000 0.733 378 K HN 0.162 nan 8.250 nan 0.000 0.451 379 P HA -0.210 nan 4.420 nan 0.000 0.217 379 P C 1.322 178.611 177.300 -0.018 0.000 1.158 379 P CA 1.494 64.603 63.100 0.016 0.000 0.887 379 P CB -0.050 31.662 31.700 0.019 0.000 0.792 380 L N -1.569 119.631 121.223 -0.038 0.000 2.083 380 L HA -0.151 4.185 4.340 -0.006 0.000 0.209 380 L C 2.341 179.117 176.870 -0.157 0.000 1.083 380 L CA 1.284 56.062 54.840 -0.104 0.000 0.752 380 L CB -0.957 41.009 42.059 -0.154 0.000 0.899 380 L HN -0.108 nan 8.230 nan 0.000 0.433 381 V N -0.614 119.205 119.914 -0.157 0.000 2.379 381 V HA -0.194 3.922 4.120 -0.006 0.000 0.245 381 V C 2.199 178.228 176.094 -0.108 0.000 1.044 381 V CA 1.607 63.775 62.300 -0.221 0.000 1.036 381 V CB -0.516 31.214 31.823 -0.154 0.000 0.664 381 V HN 0.458 nan 8.190 nan 0.000 0.453 382 E N -0.224 119.951 120.200 -0.041 0.000 2.158 382 E HA -0.154 4.193 4.350 -0.006 0.000 0.191 382 E C 2.232 178.825 176.600 -0.012 0.000 0.982 382 E CA 0.560 56.956 56.400 -0.007 0.000 0.823 382 E CB -0.103 29.606 29.700 0.015 0.000 0.766 382 E HN 0.497 nan 8.360 nan 0.000 0.468 383 E N 1.087 121.272 120.200 -0.026 0.000 2.033 383 E HA -0.162 4.184 4.350 -0.006 0.000 0.199 383 E C -0.644 175.948 176.600 -0.014 0.000 1.011 383 E CA 1.675 58.064 56.400 -0.018 0.000 0.815 383 E CB -1.012 28.670 29.700 -0.030 0.000 0.755 383 E HN 0.143 nan 8.360 nan 0.000 0.451 384 P HA -0.136 nan 4.420 nan 0.000 0.215 384 P C 1.470 178.774 177.300 0.006 0.000 1.157 384 P CA 1.700 64.788 63.100 -0.020 0.000 0.868 384 P CB -0.109 31.557 31.700 -0.058 0.000 0.788 385 Q N -0.414 119.389 119.800 0.005 0.000 1.985 385 Q HA -0.236 4.101 4.340 -0.006 0.000 0.207 385 Q C 2.072 178.094 176.000 0.036 0.000 0.996 385 Q CA 1.964 57.785 55.803 0.030 0.000 0.851 385 Q CB -0.962 27.799 28.738 0.039 0.000 0.921 385 Q HN 0.381 nan 8.270 nan 0.000 0.418 386 N N 0.481 119.200 118.700 0.030 0.000 2.069 386 N HA -0.239 4.497 4.740 -0.006 0.000 0.196 386 N C 1.796 177.332 175.510 0.042 0.000 1.024 386 N CA 1.144 54.214 53.050 0.034 0.000 0.869 386 N CB -0.238 38.266 38.487 0.027 0.000 1.035 386 N HN 0.077 nan 8.380 nan 0.000 0.434 387 L N 1.134 122.382 121.223 0.042 0.000 1.990 387 L HA -0.178 4.158 4.340 -0.006 0.000 0.213 387 L C 1.857 178.770 176.870 0.072 0.000 1.072 387 L CA 1.559 56.432 54.840 0.056 0.000 0.755 387 L CB -0.479 41.612 42.059 0.054 0.000 0.889 387 L HN 0.194 nan 8.230 nan 0.000 0.432 388 I N -0.119 120.490 120.570 0.066 0.000 2.163 388 I HA -0.312 3.854 4.170 -0.006 0.000 0.243 388 I C 2.502 178.663 176.117 0.073 0.000 1.085 388 I CA 1.516 62.861 61.300 0.074 0.000 1.347 388 I CB -1.551 36.486 38.000 0.063 0.000 1.044 388 I HN 0.453 nan 8.210 nan 0.000 0.408 389 K N 0.848 121.285 120.400 0.061 0.000 2.020 389 K HA -0.271 4.046 4.320 -0.006 0.000 0.212 389 K C 2.203 178.838 176.600 0.058 0.000 1.050 389 K CA 2.053 58.374 56.287 0.057 0.000 0.929 389 K CB -0.231 32.298 32.500 0.048 0.000 0.714 389 K HN 0.416 nan 8.250 nan 0.000 0.443 390 Q N 0.361 120.198 119.800 0.061 0.000 2.079 390 Q HA -0.154 4.183 4.340 -0.006 0.000 0.200 390 Q C 1.532 177.584 176.000 0.086 0.000 0.974 390 Q CA 1.500 57.342 55.803 0.065 0.000 0.840 390 Q CB -0.113 28.662 28.738 0.063 0.000 0.898 390 Q HN 0.440 nan 8.270 nan 0.000 0.430 391 N N -0.409 118.360 118.700 0.115 0.000 2.396 391 N HA -0.073 4.663 4.740 -0.006 0.000 0.180 391 N C 1.603 177.177 175.510 0.107 0.000 1.028 391 N CA 0.799 53.957 53.050 0.179 0.000 0.893 391 N CB 0.047 38.681 38.487 0.244 0.000 0.967 391 N HN 0.322 nan 8.380 nan 0.000 0.440 392 c N 0.911 119.560 118.600 0.081 0.000 2.464 392 c HA 0.053 4.620 4.570 -0.006 0.000 0.278 392 c C 2.394 176.512 174.090 0.047 0.000 1.375 392 c CA 0.200 56.574 56.329 0.075 0.000 1.761 392 c CB -0.560 42.003 42.510 0.088 0.000 1.944 392 c HN 0.460 nan 8.230 nan 0.000 0.509 393 E N 0.406 120.621 120.200 0.024 0.000 2.047 393 E HA -0.195 4.152 4.350 -0.006 0.000 0.191 393 E C 1.944 178.517 176.600 -0.046 0.000 0.987 393 E CA 0.862 57.260 56.400 -0.003 0.000 0.799 393 E CB -0.257 29.451 29.700 0.013 0.000 0.752 393 E HN 0.356 nan 8.360 nan 0.000 0.449 394 L N 0.604 121.803 121.223 -0.041 0.000 2.127 394 L HA -0.168 4.169 4.340 -0.006 0.000 0.211 394 L C 1.971 178.682 176.870 -0.264 0.000 1.089 394 L CA 1.452 56.249 54.840 -0.073 0.000 0.757 394 L CB -0.507 41.581 42.059 0.048 0.000 0.899 394 L HN 0.103 nan 8.230 nan 0.000 0.434 395 F N 0.468 120.057 119.950 -0.601 0.000 2.098 395 F HA -0.120 4.404 4.527 -0.006 0.000 0.294 395 F C 2.344 177.956 175.800 -0.312 0.000 1.107 395 F CA 1.527 59.079 58.000 -0.747 0.000 1.234 395 F CB -0.387 38.186 39.000 -0.710 0.000 1.002 395 F HN 0.155 nan 8.300 nan 0.000 0.472 396 E N 0.411 120.335 120.200 -0.460 0.000 2.209 396 E HA -0.259 4.087 4.350 -0.006 0.000 0.196 396 E C 1.996 178.392 176.600 -0.341 0.000 0.993 396 E CA 1.648 57.772 56.400 -0.460 0.000 0.819 396 E CB -0.561 29.020 29.700 -0.199 0.000 0.745 396 E HN 0.674 nan 8.360 nan 0.000 0.477 397 Q N -0.065 119.591 119.800 -0.240 0.000 2.165 397 Q HA 0.083 4.420 4.340 -0.006 0.000 0.197 397 Q C 2.474 178.405 176.000 -0.115 0.000 0.952 397 Q CA 0.633 56.351 55.803 -0.142 0.000 0.848 397 Q CB 0.109 28.801 28.738 -0.077 0.000 0.931 397 Q HN 0.240 nan 8.270 nan 0.000 0.470 398 L N -0.523 120.634 121.223 -0.110 0.000 2.168 398 L HA 0.213 4.549 4.340 -0.006 0.000 0.203 398 L C 0.871 177.739 176.870 -0.002 0.000 1.078 398 L CA 0.525 55.363 54.840 -0.003 0.000 0.780 398 L CB -0.340 41.785 42.059 0.110 0.000 0.939 398 L HN 0.306 nan 8.230 nan 0.000 0.451 399 G N 0.590 109.323 108.800 -0.112 0.000 2.788 399 G HA2 -0.202 3.755 3.960 -0.006 0.000 0.686 399 G HA3 -0.202 3.755 3.960 -0.006 0.000 0.686 399 G C 0.274 175.343 174.900 0.282 0.000 1.147 399 G CA 0.035 45.091 45.100 -0.073 0.000 0.755 399 G HN 0.314 nan 8.290 nan 0.000 0.634 400 E N 0.679 121.196 120.200 0.528 0.000 2.132 400 E HA -0.355 3.991 4.350 -0.006 0.000 0.218 400 E C 1.862 178.759 176.600 0.495 0.000 1.058 400 E CA 2.689 59.487 56.400 0.663 0.000 0.882 400 E CB -0.242 29.771 29.700 0.521 0.000 0.774 400 E HN 0.872 nan 8.360 nan 0.000 0.467 401 Y N 1.157 121.605 120.300 0.247 0.000 2.014 401 Y HA -0.247 4.299 4.550 -0.006 0.000 0.270 401 Y C 2.289 178.300 175.900 0.185 0.000 1.145 401 Y CA 2.388 60.594 58.100 0.177 0.000 1.106 401 Y CB -0.397 38.140 38.460 0.128 0.000 0.968 401 Y HN -0.038 nan 8.280 nan 0.000 0.484 402 K N -0.959 119.541 120.400 0.166 0.000 2.113 402 K HA -0.237 4.079 4.320 -0.006 0.000 0.208 402 K C 2.069 178.735 176.600 0.110 0.000 1.047 402 K CA 1.653 57.961 56.287 0.035 0.000 0.928 402 K CB -0.621 31.963 32.500 0.141 0.000 0.716 402 K HN 0.338 nan 8.250 nan 0.000 0.446 403 F N 2.506 122.492 119.950 0.060 0.000 2.102 403 F HA -0.217 4.307 4.527 -0.006 0.000 0.298 403 F C 2.151 177.981 175.800 0.049 0.000 1.105 403 F CA 1.564 59.625 58.000 0.101 0.000 1.239 403 F CB -0.536 38.606 39.000 0.237 0.000 0.991 403 F HN 0.050 nan 8.300 nan 0.000 0.474 404 Q N -0.028 119.747 119.800 -0.041 0.000 2.077 404 Q HA -0.255 4.081 4.340 -0.006 0.000 0.206 404 Q C 1.929 177.823 176.000 -0.175 0.000 0.989 404 Q CA 1.838 57.529 55.803 -0.188 0.000 0.853 404 Q CB -0.388 28.305 28.738 -0.075 0.000 0.907 404 Q HN 0.435 nan 8.270 nan 0.000 0.418 405 N N 0.490 119.080 118.700 -0.183 0.000 2.166 405 N HA -0.133 4.603 4.740 -0.006 0.000 0.186 405 N C 1.620 177.094 175.510 -0.060 0.000 1.019 405 N CA 1.295 54.257 53.050 -0.146 0.000 0.856 405 N CB -0.501 37.869 38.487 -0.195 0.000 0.993 405 N HN 0.255 nan 8.380 nan 0.000 0.426 406 A N 1.251 124.060 122.820 -0.017 0.000 1.892 406 A HA -0.101 4.215 4.320 -0.006 0.000 0.218 406 A C 2.300 179.888 177.584 0.006 0.000 1.188 406 A CA 1.207 53.269 52.037 0.041 0.000 0.631 406 A CB -0.868 18.227 19.000 0.159 0.000 0.822 406 A HN 0.248 nan 8.150 nan 0.000 0.447 407 L N -1.242 119.937 121.223 -0.074 0.000 2.291 407 L HA -0.071 4.266 4.340 -0.006 0.000 0.214 407 L C 2.404 179.307 176.870 0.055 0.000 1.120 407 L CA 0.346 55.174 54.840 -0.021 0.000 0.799 407 L CB -0.344 41.624 42.059 -0.151 0.000 0.925 407 L HN 0.384 nan 8.230 nan 0.000 0.446 408 L N -0.713 120.500 121.223 -0.017 0.000 2.017 408 L HA -0.162 4.175 4.340 -0.006 0.000 0.208 408 L C 2.403 179.289 176.870 0.027 0.000 1.073 408 L CA 1.576 56.415 54.840 -0.002 0.000 0.745 408 L CB -0.312 41.721 42.059 -0.042 0.000 0.894 408 L HN -0.080 nan 8.230 nan 0.000 0.432 409 V N -0.252 119.671 119.914 0.016 0.000 2.233 409 V HA -0.361 3.756 4.120 -0.006 0.000 0.247 409 V C 2.707 178.808 176.094 0.011 0.000 1.050 409 V CA 2.248 64.560 62.300 0.020 0.000 1.010 409 V CB -0.690 31.148 31.823 0.024 0.000 0.637 409 V HN 0.493 nan 8.190 nan 0.000 0.444 410 R N -1.223 119.278 120.500 0.002 0.000 2.115 410 R HA -0.252 4.085 4.340 -0.006 0.000 0.239 410 R C 2.320 178.533 176.300 -0.145 0.000 1.133 410 R CA 2.570 58.631 56.100 -0.065 0.000 0.935 410 R CB -0.484 29.779 30.300 -0.061 0.000 0.853 410 R HN 0.574 nan 8.270 nan 0.000 0.433 411 Y N -0.121 120.154 120.300 -0.042 0.000 2.263 411 Y HA -0.121 4.426 4.550 -0.006 0.000 0.292 411 Y C 2.607 178.477 175.900 -0.050 0.000 1.130 411 Y CA 1.776 59.849 58.100 -0.045 0.000 1.179 411 Y CB -0.183 38.230 38.460 -0.078 0.000 0.998 411 Y HN 0.166 nan 8.280 nan 0.000 0.532 412 T N -0.122 114.473 114.554 0.068 0.000 2.720 412 T HA -0.205 4.142 4.350 -0.006 0.000 0.268 412 T C 1.772 176.443 174.700 -0.047 0.000 1.037 412 T CA 1.719 63.819 62.100 0.000 0.000 1.144 412 T CB -0.194 68.668 68.868 -0.010 0.000 0.864 412 T HN 0.265 nan 8.240 nan 0.000 0.444 413 K N 1.021 121.398 120.400 -0.038 0.000 2.026 413 K HA -0.055 4.262 4.320 -0.006 0.000 0.208 413 K C 2.462 179.023 176.600 -0.064 0.000 1.048 413 K CA 1.183 57.445 56.287 -0.042 0.000 0.929 413 K CB -0.112 32.375 32.500 -0.022 0.000 0.713 413 K HN 0.244 nan 8.250 nan 0.000 0.439 414 K N 0.353 120.703 120.400 -0.084 0.000 2.034 414 K HA -0.151 4.165 4.320 -0.006 0.000 0.214 414 K C 1.064 177.641 176.600 -0.039 0.000 1.051 414 K CA 1.814 58.053 56.287 -0.079 0.000 0.931 414 K CB 0.014 32.425 32.500 -0.147 0.000 0.715 414 K HN 0.147 nan 8.250 nan 0.000 0.446 415 V N -2.622 117.278 119.914 -0.023 0.000 2.575 415 V HA 0.211 4.327 4.120 -0.006 0.000 0.281 415 V C -2.264 173.767 176.094 -0.105 0.000 1.087 415 V CA -1.236 61.049 62.300 -0.025 0.000 1.193 415 V CB 0.881 32.745 31.823 0.068 0.000 1.426 415 V HN 0.006 nan 8.190 nan 0.000 0.623 416 P HA -0.185 nan 4.420 nan 0.000 0.225 416 P C 0.992 178.037 177.300 -0.425 0.000 1.141 416 P CA 1.342 64.171 63.100 -0.451 0.000 0.774 416 P CB 0.478 31.620 31.700 -0.929 0.000 0.760 417 Q N -0.305 119.343 119.800 -0.254 0.000 2.187 417 Q HA 0.019 4.356 4.340 -0.006 0.000 0.199 417 Q C 0.911 176.902 176.000 -0.015 0.000 0.957 417 Q CA 0.380 56.134 55.803 -0.082 0.000 0.857 417 Q CB -0.886 27.863 28.738 0.018 0.000 0.929 417 Q HN 0.136 nan 8.270 nan 0.000 0.453 418 V N 1.305 121.222 119.914 0.005 0.000 2.694 418 V HA -0.055 4.062 4.120 -0.006 0.000 0.306 418 V C 0.663 176.754 176.094 -0.005 0.000 1.054 418 V CA -0.201 62.121 62.300 0.038 0.000 1.161 418 V CB 0.940 32.806 31.823 0.071 0.000 0.916 418 V HN 0.157 nan 8.190 nan 0.000 0.490 419 S N 3.399 119.093 115.700 -0.009 0.000 2.593 419 S HA -0.057 4.409 4.470 -0.006 0.000 0.300 419 S C 1.589 176.167 174.600 -0.036 0.000 1.267 419 S CA 0.332 58.516 58.200 -0.027 0.000 1.065 419 S CB 0.421 63.601 63.200 -0.034 0.000 0.807 419 S HN 0.980 nan 8.310 nan 0.000 0.499 420 T N 7.093 121.619 114.554 -0.046 0.000 2.699 420 T HA -0.102 4.244 4.350 -0.006 0.000 0.268 420 T C -0.964 173.701 174.700 -0.058 0.000 1.036 420 T CA 1.657 63.721 62.100 -0.059 0.000 1.147 420 T CB -1.079 67.741 68.868 -0.079 0.000 0.862 420 T HN 0.562 nan 8.240 nan 0.000 0.446 421 P HA -0.031 nan 4.420 nan 0.000 0.216 421 P C 1.671 178.941 177.300 -0.051 0.000 1.153 421 P CA 1.162 64.231 63.100 -0.051 0.000 0.848 421 P CB -0.227 31.444 31.700 -0.049 0.000 0.787 422 T N -0.113 114.412 114.554 -0.049 0.000 2.674 422 T HA -0.103 4.244 4.350 -0.006 0.000 0.265 422 T C 1.767 176.425 174.700 -0.070 0.000 1.039 422 T CA 1.105 63.172 62.100 -0.054 0.000 1.150 422 T CB -1.045 67.800 68.868 -0.038 0.000 0.864 422 T HN 0.019 nan 8.240 nan 0.000 0.427 423 L N 0.890 122.078 121.223 -0.059 0.000 1.971 423 L HA -0.159 4.177 4.340 -0.006 0.000 0.215 423 L C 2.723 179.546 176.870 -0.079 0.000 1.072 423 L CA 1.296 56.096 54.840 -0.066 0.000 0.758 423 L CB -1.194 40.841 42.059 -0.040 0.000 0.889 423 L HN 0.144 nan 8.230 nan 0.000 0.433 424 V N 0.080 119.958 119.914 -0.061 0.000 2.220 424 V HA -0.391 3.725 4.120 -0.006 0.000 0.250 424 V C 2.520 178.577 176.094 -0.061 0.000 1.056 424 V CA 2.402 64.671 62.300 -0.052 0.000 1.016 424 V CB -0.714 31.089 31.823 -0.034 0.000 0.639 424 V HN 0.541 nan 8.190 nan 0.000 0.446 425 E N -0.232 119.932 120.200 -0.059 0.000 2.049 425 E HA -0.236 4.111 4.350 -0.006 0.000 0.198 425 E C 2.212 178.752 176.600 -0.100 0.000 1.007 425 E CA 2.057 58.420 56.400 -0.061 0.000 0.809 425 E CB -0.161 29.505 29.700 -0.056 0.000 0.749 425 E HN 0.370 nan 8.360 nan 0.000 0.450 426 V N 0.636 120.463 119.914 -0.146 0.000 2.287 426 V HA -0.281 3.836 4.120 -0.006 0.000 0.248 426 V C 2.367 178.298 176.094 -0.272 0.000 1.053 426 V CA 2.158 64.319 62.300 -0.231 0.000 1.027 426 V CB -0.445 31.200 31.823 -0.298 0.000 0.646 426 V HN 0.332 nan 8.190 nan 0.000 0.447 427 S N -0.503 115.049 115.700 -0.247 0.000 2.402 427 S HA -0.169 4.297 4.470 -0.006 0.000 0.229 427 S C 1.984 176.481 174.600 -0.172 0.000 1.021 427 S CA 1.166 59.223 58.200 -0.238 0.000 0.974 427 S CB -0.340 62.768 63.200 -0.152 0.000 0.800 427 S HN 0.530 nan 8.310 nan 0.000 0.484 428 R N 1.662 122.097 120.500 -0.108 0.000 2.080 428 R HA -0.021 4.316 4.340 -0.006 0.000 0.236 428 R C 1.853 178.130 176.300 -0.039 0.000 1.137 428 R CA 1.534 57.605 56.100 -0.049 0.000 0.943 428 R CB -0.491 29.807 30.300 -0.003 0.000 0.846 428 R HN 0.347 nan 8.270 nan 0.000 0.431 429 N N 0.756 119.426 118.700 -0.051 0.000 2.309 429 N HA -0.095 4.641 4.740 -0.006 0.000 0.182 429 N C 1.798 177.314 175.510 0.009 0.000 1.018 429 N CA 0.899 53.948 53.050 -0.001 0.000 0.876 429 N CB -0.148 38.309 38.487 -0.050 0.000 0.972 429 N HN 0.197 nan 8.380 nan 0.000 0.434 430 L N -0.160 120.986 121.223 -0.128 0.000 2.156 430 L HA 0.001 4.338 4.340 -0.006 0.000 0.208 430 L C 2.239 179.054 176.870 -0.092 0.000 1.095 430 L CA 1.003 55.756 54.840 -0.146 0.000 0.770 430 L CB -0.600 41.276 42.059 -0.306 0.000 0.914 430 L HN 0.207 nan 8.230 nan 0.000 0.439 431 G N -0.202 108.497 108.800 -0.168 0.000 2.443 431 G HA2 -0.203 3.753 3.960 -0.006 0.000 0.219 431 G HA3 -0.203 3.753 3.960 -0.006 0.000 0.219 431 G C 1.562 176.464 174.900 0.003 0.000 1.131 431 G CA 0.205 45.153 45.100 -0.254 0.000 0.775 431 G HN 0.312 nan 8.290 nan 0.000 0.547 432 K N 0.175 120.604 120.400 0.048 0.000 2.442 432 K HA 0.065 4.381 4.320 -0.006 0.000 0.198 432 K C 2.267 178.809 176.600 -0.096 0.000 1.042 432 K CA 0.254 56.555 56.287 0.023 0.000 0.958 432 K CB -0.042 32.497 32.500 0.065 0.000 0.766 432 K HN 0.208 nan 8.250 nan 0.000 0.474 433 V N 1.268 121.196 119.914 0.023 0.000 2.392 433 V HA -0.225 3.892 4.120 -0.006 0.000 0.249 433 V C 2.027 178.012 176.094 -0.182 0.000 1.059 433 V CA 2.345 64.618 62.300 -0.045 0.000 1.051 433 V CB -0.635 31.306 31.823 0.196 0.000 0.658 433 V HN 0.481 nan 8.190 nan 0.000 0.455 434 G N -0.588 108.029 108.800 -0.304 0.000 2.552 434 G HA2 -0.274 3.682 3.960 -0.006 0.000 0.216 434 G HA3 -0.274 3.682 3.960 -0.006 0.000 0.216 434 G C 1.748 176.092 174.900 -0.926 0.000 1.240 434 G CA 1.156 45.643 45.100 -1.022 0.000 0.796 434 G HN 0.561 nan 8.290 nan 0.000 0.568 435 S N 0.507 115.721 115.700 -0.810 0.000 2.419 435 S HA -0.076 4.391 4.470 -0.006 0.000 0.235 435 S C 2.189 176.718 174.600 -0.118 0.000 1.019 435 S CA 1.227 59.311 58.200 -0.192 0.000 0.982 435 S CB -0.112 63.083 63.200 -0.007 0.000 0.789 435 S HN 0.302 nan 8.310 nan 0.000 0.490 436 K N 0.419 120.702 120.400 -0.195 0.000 2.007 436 K HA 0.028 4.345 4.320 -0.006 0.000 0.206 436 K C 1.902 178.498 176.600 -0.007 0.000 1.047 436 K CA 1.460 57.651 56.287 -0.162 0.000 0.937 436 K CB -0.247 32.005 32.500 -0.412 0.000 0.718 436 K HN 0.421 nan 8.250 nan 0.000 0.438 437 c N -1.025 117.558 118.600 -0.029 0.000 3.364 437 c HA 0.164 4.731 4.570 -0.006 0.000 0.340 437 c C 2.510 176.712 174.090 0.187 0.000 1.336 437 c CA -0.721 55.694 56.329 0.144 0.000 1.778 437 c CB -0.649 41.854 42.510 -0.011 0.000 2.398 437 c HN 0.481 nan 8.230 nan 0.000 0.667 438 c N 2.494 121.135 118.600 0.069 0.000 2.449 438 c HA -0.081 4.486 4.570 -0.006 0.000 0.283 438 c C 2.525 176.694 174.090 0.131 0.000 1.453 438 c CA 1.041 57.441 56.329 0.119 0.000 1.779 438 c CB -1.609 41.002 42.510 0.168 0.000 1.779 438 c HN 0.749 nan 8.230 nan 0.000 0.546 439 K N 0.043 120.498 120.400 0.092 0.000 2.525 439 K HA 0.022 4.339 4.320 -0.006 0.000 0.192 439 K C 0.384 176.919 176.600 -0.109 0.000 1.029 439 K CA 0.672 56.951 56.287 -0.013 0.000 1.029 439 K CB -0.187 32.261 32.500 -0.086 0.000 0.814 439 K HN 0.590 nan 8.250 nan 0.000 0.503 440 H N 2.139 121.224 119.070 0.025 0.000 2.483 440 H HA 0.233 4.785 4.556 -0.006 0.000 0.338 440 H C -2.211 173.130 175.328 0.022 0.000 1.152 440 H CA -2.147 53.912 56.048 0.018 0.000 1.264 440 H CB 1.058 30.827 29.762 0.011 0.000 1.510 440 H HN 0.051 nan 8.280 nan 0.000 0.530 441 P HA -0.031 nan 4.420 nan 0.000 0.267 441 P C 0.276 177.630 177.300 0.089 0.000 1.200 441 P CA 0.065 63.217 63.100 0.086 0.000 0.772 441 P CB 0.944 32.684 31.700 0.067 0.000 0.855 442 E N 1.248 121.488 120.200 0.067 0.000 2.413 442 E HA -0.257 4.090 4.350 -0.006 0.000 0.206 442 E C 1.637 178.273 176.600 0.060 0.000 1.047 442 E CA 1.626 58.063 56.400 0.062 0.000 0.859 442 E CB -0.223 29.508 29.700 0.051 0.000 0.771 442 E HN 0.536 nan 8.360 nan 0.000 0.527 443 A N 1.528 124.380 122.820 0.054 0.000 1.878 443 A HA -0.066 4.251 4.320 -0.006 0.000 0.215 443 A C 1.733 179.337 177.584 0.034 0.000 1.310 443 A CA 0.680 52.742 52.037 0.043 0.000 0.612 443 A CB -0.168 18.848 19.000 0.026 0.000 0.989 443 A HN -0.001 nan 8.150 nan 0.000 0.472 444 K N 0.219 120.635 120.400 0.026 0.000 2.589 444 K HA -0.080 4.237 4.320 -0.006 0.000 0.195 444 K C 1.868 178.413 176.600 -0.092 0.000 1.040 444 K CA 0.694 56.962 56.287 -0.033 0.000 0.950 444 K CB -0.149 32.333 32.500 -0.030 0.000 0.781 444 K HN 0.362 nan 8.250 nan 0.000 0.486 445 R N 0.265 120.757 120.500 -0.014 0.000 2.055 445 R HA 0.017 4.353 4.340 -0.006 0.000 0.226 445 R C 2.317 178.614 176.300 -0.006 0.000 1.135 445 R CA 1.190 57.283 56.100 -0.012 0.000 0.959 445 R CB -0.200 30.128 30.300 0.047 0.000 0.854 445 R HN 0.230 nan 8.270 nan 0.000 0.431 446 M N 1.364 120.981 119.600 0.028 0.000 2.073 446 M HA -0.132 4.345 4.480 -0.006 0.000 0.258 446 M C -0.869 175.444 176.300 0.022 0.000 1.070 446 M CA 2.030 57.352 55.300 0.038 0.000 1.103 446 M CB -0.896 31.746 32.600 0.069 0.000 1.321 446 M HN -0.031 nan 8.290 nan 0.000 0.405 447 P HA -0.124 nan 4.420 nan 0.000 0.216 447 P C 1.803 179.095 177.300 -0.013 0.000 1.153 447 P CA 1.499 64.596 63.100 -0.004 0.000 0.844 447 P CB -0.584 31.101 31.700 -0.026 0.000 0.787 448 c N -0.332 118.227 118.600 -0.068 0.000 2.411 448 c HA 0.031 4.598 4.570 -0.006 0.000 0.279 448 c C 2.880 176.976 174.090 0.011 0.000 1.288 448 c CA 1.630 57.905 56.329 -0.089 0.000 1.764 448 c CB -1.819 40.529 42.510 -0.270 0.000 1.974 448 c HN 0.268 nan 8.230 nan 0.000 0.498 449 A N -0.898 121.945 122.820 0.039 0.000 1.920 449 A HA 0.074 4.390 4.320 -0.006 0.000 0.209 449 A C 2.156 179.820 177.584 0.134 0.000 1.229 449 A CA 0.908 53.014 52.037 0.115 0.000 0.671 449 A CB -0.784 18.267 19.000 0.084 0.000 0.886 449 A HN 0.640 nan 8.150 nan 0.000 0.461 450 E N 0.050 120.294 120.200 0.074 0.000 2.106 450 E HA -0.203 4.144 4.350 -0.006 0.000 0.192 450 E C 0.953 177.578 176.600 0.041 0.000 0.984 450 E CA 1.247 57.675 56.400 0.048 0.000 0.806 450 E CB -0.048 29.664 29.700 0.020 0.000 0.750 450 E HN 0.510 nan 8.360 nan 0.000 0.458 451 D N -0.513 119.925 120.400 0.063 0.000 2.224 451 D HA -0.141 4.496 4.640 -0.006 0.000 0.205 451 D C 1.608 177.950 176.300 0.070 0.000 0.965 451 D CA 0.561 54.604 54.000 0.072 0.000 0.852 451 D CB -0.097 40.761 40.800 0.097 0.000 0.947 451 D HN 0.269 nan 8.370 nan 0.000 0.494 452 Y N 1.995 122.288 120.300 -0.012 0.000 2.163 452 Y HA -0.143 4.403 4.550 -0.006 0.000 0.288 452 Y C 2.190 178.062 175.900 -0.048 0.000 1.136 452 Y CA 1.208 59.293 58.100 -0.026 0.000 1.147 452 Y CB -0.589 37.855 38.460 -0.027 0.000 0.987 452 Y HN -0.135 nan 8.280 nan 0.000 0.509 453 L N -0.760 120.336 121.223 -0.211 0.000 2.127 453 L HA -0.242 4.094 4.340 -0.006 0.000 0.211 453 L C 2.480 179.190 176.870 -0.267 0.000 1.089 453 L CA 1.498 56.166 54.840 -0.286 0.000 0.757 453 L CB -0.845 41.154 42.059 -0.099 0.000 0.899 453 L HN 0.117 nan 8.230 nan 0.000 0.434 454 S N -0.425 115.176 115.700 -0.164 0.000 2.383 454 S HA -0.136 4.330 4.470 -0.006 0.000 0.229 454 S C 2.040 176.522 174.600 -0.197 0.000 1.030 454 S CA 1.219 59.336 58.200 -0.138 0.000 1.002 454 S CB -0.200 62.957 63.200 -0.072 0.000 0.829 454 S HN 0.195 nan 8.310 nan 0.000 0.467 455 V N 1.271 121.039 119.914 -0.243 0.000 2.453 455 V HA -0.082 4.035 4.120 -0.006 0.000 0.247 455 V C 2.192 178.096 176.094 -0.316 0.000 1.048 455 V CA 1.228 63.374 62.300 -0.257 0.000 1.049 455 V CB -0.577 31.105 31.823 -0.235 0.000 0.672 455 V HN 0.359 nan 8.190 nan 0.000 0.457 456 V N -0.344 119.303 119.914 -0.445 0.000 2.667 456 V HA -0.126 3.990 4.120 -0.006 0.000 0.252 456 V C 2.120 177.989 176.094 -0.375 0.000 1.065 456 V CA 1.421 63.463 62.300 -0.430 0.000 1.083 456 V CB -0.449 31.053 31.823 -0.535 0.000 0.692 456 V HN 0.430 nan 8.190 nan 0.000 0.468 457 L N 0.141 121.140 121.223 -0.374 0.000 2.162 457 L HA -0.004 4.332 4.340 -0.006 0.000 0.205 457 L C 2.417 179.119 176.870 -0.280 0.000 1.086 457 L CA 1.247 55.835 54.840 -0.420 0.000 0.778 457 L CB -0.665 41.099 42.059 -0.491 0.000 0.928 457 L HN 0.369 nan 8.230 nan 0.000 0.446 458 N N 0.452 119.031 118.700 -0.203 0.000 2.137 458 N HA -0.279 4.457 4.740 -0.006 0.000 0.190 458 N C 1.839 177.262 175.510 -0.144 0.000 1.017 458 N CA 1.524 54.492 53.050 -0.136 0.000 0.859 458 N CB -0.016 38.386 38.487 -0.142 0.000 1.002 458 N HN 0.281 nan 8.380 nan 0.000 0.428 459 Q N -0.489 119.204 119.800 -0.179 0.000 1.985 459 Q HA -0.208 4.129 4.340 -0.006 0.000 0.207 459 Q C 1.950 177.868 176.000 -0.136 0.000 0.996 459 Q CA 1.909 57.619 55.803 -0.154 0.000 0.851 459 Q CB -0.442 28.192 28.738 -0.172 0.000 0.921 459 Q HN 0.434 nan 8.270 nan 0.000 0.418 460 L N 0.845 121.955 121.223 -0.188 0.000 2.010 460 L HA -0.293 4.044 4.340 -0.006 0.000 0.219 460 L C 2.359 179.191 176.870 -0.064 0.000 1.077 460 L CA 2.207 56.949 54.840 -0.165 0.000 0.773 460 L CB -1.278 40.597 42.059 -0.307 0.000 0.892 460 L HN 0.533 nan 8.230 nan 0.000 0.436 461 c N -1.231 117.330 118.600 -0.066 0.000 2.413 461 c HA -0.172 4.394 4.570 -0.006 0.000 0.277 461 c C 2.832 176.941 174.090 0.033 0.000 1.228 461 c CA 1.245 57.583 56.329 0.015 0.000 1.731 461 c CB -1.424 41.103 42.510 0.029 0.000 2.042 461 c HN 0.661 nan 8.230 nan 0.000 0.468 462 V N -0.636 119.263 119.914 -0.025 0.000 2.759 462 V HA -0.075 4.042 4.120 -0.006 0.000 0.256 462 V C 1.912 178.001 176.094 -0.007 0.000 1.080 462 V CA 1.763 64.043 62.300 -0.034 0.000 1.101 462 V CB -0.908 30.857 31.823 -0.098 0.000 0.698 462 V HN 0.614 nan 8.190 nan 0.000 0.477 463 L N -0.350 120.873 121.223 -0.001 0.000 2.270 463 L HA 0.046 4.383 4.340 -0.006 0.000 0.210 463 L C 2.596 179.485 176.870 0.031 0.000 1.104 463 L CA 1.585 56.425 54.840 0.000 0.000 0.804 463 L CB -0.526 41.520 42.059 -0.022 0.000 0.937 463 L HN 0.449 nan 8.230 nan 0.000 0.450 464 H N -0.191 118.861 119.070 -0.029 0.000 2.415 464 H HA -0.123 4.429 4.556 -0.006 0.000 0.297 464 H C 2.171 177.495 175.328 -0.006 0.000 1.048 464 H CA 1.291 57.333 56.048 -0.011 0.000 1.365 464 H CB 0.434 30.200 29.762 0.006 0.000 1.421 464 H HN 0.206 nan 8.280 nan 0.000 0.533 465 E N 0.740 121.019 120.200 0.131 0.000 2.114 465 E HA -0.244 4.103 4.350 -0.006 0.000 0.199 465 E C 1.860 178.456 176.600 -0.006 0.000 1.008 465 E CA 1.676 58.118 56.400 0.070 0.000 0.810 465 E CB 0.106 29.831 29.700 0.041 0.000 0.739 465 E HN 0.447 nan 8.360 nan 0.000 0.456 466 K N -0.602 119.786 120.400 -0.019 0.000 1.988 466 K HA -0.137 4.179 4.320 -0.006 0.000 0.221 466 K C 1.014 177.575 176.600 -0.064 0.000 1.053 466 K CA 1.805 58.075 56.287 -0.028 0.000 0.959 466 K CB -0.422 32.063 32.500 -0.025 0.000 0.728 466 K HN 0.244 nan 8.250 nan 0.000 0.447 467 T N 0.951 115.433 114.554 -0.120 0.000 3.154 467 T HA 0.262 4.609 4.350 -0.006 0.000 0.381 467 T C -2.658 171.855 174.700 -0.312 0.000 1.368 467 T CA -1.942 60.067 62.100 -0.152 0.000 1.155 467 T CB 1.190 69.990 68.868 -0.113 0.000 1.120 467 T HN -0.025 nan 8.240 nan 0.000 0.570 468 P HA 0.202 nan 4.420 nan 0.000 0.273 468 P C 0.662 177.831 177.300 -0.218 0.000 1.319 468 P CA -0.338 62.494 63.100 -0.448 0.000 0.885 468 P CB 1.292 32.942 31.700 -0.083 0.000 1.015 469 V N 2.202 121.968 119.914 -0.245 0.000 2.690 469 V HA 0.036 4.153 4.120 -0.006 0.000 0.240 469 V C 1.339 177.517 176.094 0.139 0.000 1.078 469 V CA 0.930 63.231 62.300 0.002 0.000 1.102 469 V CB -0.403 31.419 31.823 -0.001 0.000 0.800 469 V HN 0.521 nan 8.190 nan 0.000 0.479 470 S N 0.619 116.505 115.700 0.311 0.000 2.438 470 S HA 0.141 4.608 4.470 -0.006 0.000 0.293 470 S C 0.799 175.483 174.600 0.141 0.000 1.141 470 S CA -0.616 57.699 58.200 0.193 0.000 1.080 470 S CB 0.609 63.895 63.200 0.142 0.000 0.978 470 S HN 0.437 nan 8.310 nan 0.000 0.479 471 D N 4.963 125.409 120.400 0.078 0.000 2.144 471 D HA -0.137 4.500 4.640 -0.006 0.000 0.199 471 D C 1.661 177.949 176.300 -0.020 0.000 0.984 471 D CA 1.143 55.165 54.000 0.038 0.000 0.834 471 D CB 0.029 40.845 40.800 0.026 0.000 0.955 471 D HN 0.650 nan 8.370 nan 0.000 0.465 472 R N 0.734 121.211 120.500 -0.038 0.000 2.152 472 R HA -0.041 4.295 4.340 -0.006 0.000 0.232 472 R C 2.480 178.683 176.300 -0.162 0.000 1.117 472 R CA 0.445 56.487 56.100 -0.096 0.000 0.981 472 R CB -0.259 29.993 30.300 -0.079 0.000 0.870 472 R HN 0.080 nan 8.270 nan 0.000 0.451 473 V N 0.157 119.994 119.914 -0.129 0.000 2.379 473 V HA -0.190 3.927 4.120 -0.006 0.000 0.245 473 V C 2.169 178.147 176.094 -0.193 0.000 1.044 473 V CA 1.976 64.192 62.300 -0.140 0.000 1.036 473 V CB -0.354 31.212 31.823 -0.428 0.000 0.664 473 V HN 0.334 nan 8.190 nan 0.000 0.453 474 T N -0.483 113.956 114.554 -0.193 0.000 2.737 474 T HA -0.199 4.148 4.350 -0.006 0.000 0.265 474 T C 2.021 176.690 174.700 -0.052 0.000 1.038 474 T CA 1.804 63.866 62.100 -0.063 0.000 1.144 474 T CB -0.151 68.739 68.868 0.037 0.000 0.866 474 T HN 0.440 nan 8.240 nan 0.000 0.434 475 K N 0.187 120.539 120.400 -0.080 0.000 2.002 475 K HA -0.111 4.206 4.320 -0.006 0.000 0.209 475 K C 2.490 179.018 176.600 -0.121 0.000 1.048 475 K CA 1.610 57.845 56.287 -0.086 0.000 0.930 475 K CB -0.561 31.879 32.500 -0.100 0.000 0.714 475 K HN 0.347 nan 8.250 nan 0.000 0.438 476 c N 0.683 119.136 118.600 -0.244 0.000 2.425 476 c HA -0.107 4.460 4.570 -0.006 0.000 0.277 476 c C 2.999 177.022 174.090 -0.111 0.000 1.280 476 c CA 0.579 56.696 56.329 -0.354 0.000 1.744 476 c CB -0.973 40.899 42.510 -1.063 0.000 1.989 476 c HN 0.660 nan 8.230 nan 0.000 0.491 477 c N -0.373 118.235 118.600 0.012 0.000 2.446 477 c HA -0.079 4.488 4.570 -0.006 0.000 0.277 477 c C 2.845 177.044 174.090 0.180 0.000 1.275 477 c CA 1.584 58.003 56.329 0.151 0.000 1.727 477 c CB -1.506 41.085 42.510 0.136 0.000 2.010 477 c HN 0.670 nan 8.230 nan 0.000 0.486 478 T N -0.192 114.421 114.554 0.099 0.000 3.009 478 T HA -0.073 4.274 4.350 -0.006 0.000 0.258 478 T C 1.684 176.459 174.700 0.126 0.000 1.063 478 T CA 1.012 63.166 62.100 0.089 0.000 1.139 478 T CB -0.159 68.715 68.868 0.010 0.000 0.890 478 T HN 0.494 nan 8.240 nan 0.000 0.471 479 E N 1.288 121.530 120.200 0.070 0.000 2.085 479 E HA -0.040 4.306 4.350 -0.006 0.000 0.194 479 E C 0.925 177.586 176.600 0.100 0.000 0.994 479 E CA 0.836 57.266 56.400 0.051 0.000 0.801 479 E CB 0.166 29.857 29.700 -0.014 0.000 0.743 479 E HN 0.331 nan 8.360 nan 0.000 0.453 480 S N -2.947 112.820 115.700 0.112 0.000 2.656 480 S HA 0.361 4.828 4.470 -0.006 0.000 0.273 480 S C -0.347 174.192 174.600 -0.102 0.000 1.168 480 S CA -0.557 57.669 58.200 0.043 0.000 0.817 480 S CB 0.605 63.786 63.200 -0.032 0.000 1.146 480 S HN 0.102 nan 8.310 nan 0.000 0.475 481 L N 2.411 123.372 121.223 -0.437 0.000 2.547 481 L HA 0.457 4.793 4.340 -0.006 0.000 0.218 481 L C 1.922 178.598 176.870 -0.324 0.000 1.048 481 L CA 1.644 56.074 54.840 -0.683 0.000 0.859 481 L CB 0.080 41.295 42.059 -1.405 0.000 1.128 481 L HN 0.753 nan 8.230 nan 0.000 0.483 482 V N -2.455 117.314 119.914 -0.241 0.000 2.788 482 V HA 0.049 4.166 4.120 -0.006 0.000 0.251 482 V C 1.316 177.355 176.094 -0.091 0.000 1.068 482 V CA 1.746 63.964 62.300 -0.138 0.000 1.090 482 V CB -1.063 30.692 31.823 -0.113 0.000 0.710 482 V HN 0.542 nan 8.190 nan 0.000 0.467 483 N N 0.140 118.789 118.700 -0.085 0.000 2.362 483 N HA 0.186 4.923 4.740 -0.006 0.000 0.204 483 N C 1.619 177.115 175.510 -0.024 0.000 1.166 483 N CA -0.118 52.898 53.050 -0.056 0.000 0.831 483 N CB -0.052 38.399 38.487 -0.061 0.000 1.008 483 N HN 0.476 nan 8.380 nan 0.000 0.472 484 R N 0.638 121.142 120.500 0.006 0.000 2.083 484 R HA -0.071 4.266 4.340 -0.006 0.000 0.237 484 R C 2.179 178.619 176.300 0.234 0.000 1.137 484 R CA 1.051 57.226 56.100 0.125 0.000 0.951 484 R CB -0.096 30.303 30.300 0.164 0.000 0.851 484 R HN 0.200 nan 8.270 nan 0.000 0.434 485 R N 0.699 121.281 120.500 0.137 0.000 2.070 485 R HA -0.085 4.252 4.340 -0.006 0.000 0.233 485 R C -0.815 175.560 176.300 0.124 0.000 1.137 485 R CA 1.658 57.847 56.100 0.148 0.000 0.945 485 R CB -1.371 28.967 30.300 0.064 0.000 0.845 485 R HN 0.138 nan 8.270 nan 0.000 0.430 486 P HA -0.128 nan 4.420 nan 0.000 0.217 486 P C 1.603 178.899 177.300 -0.006 0.000 1.148 486 P CA 0.987 64.094 63.100 0.012 0.000 0.828 486 P CB -0.232 31.455 31.700 -0.022 0.000 0.783 487 c N -2.085 116.494 118.600 -0.035 0.000 2.432 487 c HA -0.126 4.441 4.570 -0.006 0.000 0.277 487 c C 2.368 176.340 174.090 -0.197 0.000 1.249 487 c CA 0.755 56.988 56.329 -0.160 0.000 1.725 487 c CB -2.019 40.318 42.510 -0.289 0.000 2.028 487 c HN 0.077 nan 8.230 nan 0.000 0.477 488 F N 1.186 121.133 119.950 -0.006 0.000 2.206 488 F HA -0.040 4.484 4.527 -0.006 0.000 0.298 488 F C 2.743 178.519 175.800 -0.039 0.000 1.090 488 F CA 1.707 59.713 58.000 0.010 0.000 1.323 488 F CB -0.772 38.298 39.000 0.116 0.000 1.028 488 F HN 0.108 nan 8.300 nan 0.000 0.492 489 S N 0.185 115.980 115.700 0.158 0.000 2.359 489 S HA -0.234 4.233 4.470 -0.006 0.000 0.224 489 S C 2.319 176.918 174.600 -0.003 0.000 1.035 489 S CA 1.244 59.481 58.200 0.061 0.000 1.018 489 S CB -0.791 62.447 63.200 0.063 0.000 0.876 489 S HN 0.365 nan 8.310 nan 0.000 0.448 490 A N 0.967 123.779 122.820 -0.014 0.000 2.121 490 A HA 0.159 4.476 4.320 -0.006 0.000 0.218 490 A C 0.966 178.516 177.584 -0.056 0.000 1.154 490 A CA 0.472 52.486 52.037 -0.039 0.000 0.679 490 A CB -0.570 18.402 19.000 -0.046 0.000 0.795 490 A HN 0.415 nan 8.150 nan 0.000 0.458 491 L N 0.338 121.519 121.223 -0.070 0.000 2.492 491 L HA 0.056 4.392 4.340 -0.006 0.000 0.280 491 L C 0.579 177.406 176.870 -0.072 0.000 1.240 491 L CA 0.439 55.232 54.840 -0.078 0.000 0.831 491 L CB 0.230 42.245 42.059 -0.073 0.000 1.100 491 L HN 0.440 nan 8.230 nan 0.000 0.505 492 E N 0.232 120.397 120.200 -0.059 0.000 2.431 492 E HA 0.245 4.592 4.350 -0.006 0.000 0.268 492 E C -1.230 175.346 176.600 -0.040 0.000 0.953 492 E CA -0.946 55.425 56.400 -0.048 0.000 0.810 492 E CB 2.405 32.086 29.700 -0.030 0.000 1.369 492 E HN 0.280 nan 8.360 nan 0.000 0.440 493 V N 1.962 121.860 119.914 -0.026 0.000 2.540 493 V HA -0.052 4.064 4.120 -0.006 0.000 0.297 493 V C -0.023 176.078 176.094 0.011 0.000 1.024 493 V CA 0.362 62.657 62.300 -0.009 0.000 1.105 493 V CB 0.481 32.308 31.823 0.007 0.000 0.938 493 V HN 0.539 nan 8.190 nan 0.000 0.482 494 D N 4.661 125.073 120.400 0.021 0.000 2.417 494 D HA 0.011 4.648 4.640 -0.006 0.000 0.250 494 D C 0.745 177.099 176.300 0.090 0.000 1.166 494 D CA 0.524 54.554 54.000 0.050 0.000 0.881 494 D CB 1.398 42.228 40.800 0.051 0.000 1.164 494 D HN 0.890 nan 8.370 nan 0.000 0.467 495 E N 1.933 122.176 120.200 0.071 0.000 2.127 495 E HA -0.093 4.253 4.350 -0.006 0.000 0.191 495 E C 1.340 177.987 176.600 0.079 0.000 0.964 495 E CA 0.416 56.856 56.400 0.067 0.000 0.832 495 E CB 0.299 30.023 29.700 0.039 0.000 0.790 495 E HN 0.435 nan 8.360 nan 0.000 0.465 496 T N 0.580 115.183 114.554 0.082 0.000 2.699 496 T HA -0.229 4.117 4.350 -0.006 0.000 0.268 496 T C 0.351 175.118 174.700 0.112 0.000 1.036 496 T CA 0.980 63.129 62.100 0.081 0.000 1.147 496 T CB -0.484 68.433 68.868 0.081 0.000 0.862 496 T HN 0.235 nan 8.240 nan 0.000 0.446 497 Y N 2.337 122.652 120.300 0.024 0.000 2.944 497 Y HA 0.136 4.682 4.550 -0.005 0.000 0.340 497 Y C 0.045 175.966 175.900 0.035 0.000 1.275 497 Y CA -0.763 57.355 58.100 0.031 0.000 1.590 497 Y CB 0.121 38.602 38.460 0.035 0.000 1.218 497 Y HN -0.073 nan 8.280 nan 0.000 0.576 498 V N 9.919 129.450 119.914 -0.638 0.000 2.347 498 V HA 0.480 4.596 4.120 -0.006 0.000 0.280 498 V C -2.436 173.097 176.094 -0.934 0.000 1.021 498 V CA -2.247 59.720 62.300 -0.555 0.000 0.847 498 V CB 0.911 32.587 31.823 -0.244 0.000 0.990 498 V HN 0.750 nan 8.190 nan 0.000 0.444 499 P HA 0.363 nan 4.420 nan 0.000 0.279 499 P C -1.254 175.999 177.300 -0.078 0.000 1.239 499 P CA -0.393 62.523 63.100 -0.307 0.000 0.789 499 P CB 0.619 32.272 31.700 -0.077 0.000 0.933 500 K N 1.885 122.334 120.400 0.083 0.000 2.201 500 K HA 0.103 4.420 4.320 -0.006 0.000 0.278 500 K C 1.065 177.663 176.600 -0.003 0.000 1.027 500 K CA -0.386 55.943 56.287 0.070 0.000 0.909 500 K CB 0.724 33.307 32.500 0.139 0.000 1.062 500 K HN 0.426 nan 8.250 nan 0.000 0.465 501 E N 3.105 123.262 120.200 -0.072 0.000 1.969 501 E HA -0.145 4.201 4.350 -0.006 0.000 0.204 501 E C -0.756 175.655 176.600 -0.316 0.000 0.982 501 E CA 1.261 57.592 56.400 -0.115 0.000 0.871 501 E CB 0.098 29.780 29.700 -0.029 0.000 0.815 501 E HN 0.472 nan 8.360 nan 0.000 0.527 502 F N 0.428 120.167 119.950 -0.352 0.000 2.881 502 F HA 0.292 4.816 4.527 -0.006 0.000 0.348 502 F C -1.814 173.949 175.800 -0.062 0.000 1.240 502 F CA -0.873 56.945 58.000 -0.303 0.000 1.130 502 F CB 1.024 39.894 39.000 -0.216 0.000 1.417 502 F HN -0.037 nan 8.300 nan 0.000 0.585 503 N N 4.498 123.049 118.700 -0.248 0.000 2.426 503 N HA 0.494 5.231 4.740 -0.006 0.000 0.257 503 N C 0.769 176.182 175.510 -0.163 0.000 1.002 503 N CA 0.315 53.306 53.050 -0.099 0.000 0.942 503 N CB 1.899 40.349 38.487 -0.062 0.000 1.112 503 N HN 0.682 nan 8.380 nan 0.000 0.499 504 A N 2.844 125.700 122.820 0.060 0.000 1.917 504 A HA -0.231 4.086 4.320 -0.006 0.000 0.219 504 A C 1.798 179.439 177.584 0.096 0.000 1.182 504 A CA 1.300 53.451 52.037 0.190 0.000 0.633 504 A CB -0.322 18.820 19.000 0.238 0.000 0.819 504 A HN 0.665 nan 8.150 nan 0.000 0.448 505 E N -0.230 119.986 120.200 0.027 0.000 2.082 505 E HA -0.243 4.103 4.350 -0.006 0.000 0.215 505 E C 1.969 178.501 176.600 -0.113 0.000 1.048 505 E CA 2.121 58.505 56.400 -0.027 0.000 0.869 505 E CB -1.401 28.272 29.700 -0.045 0.000 0.773 505 E HN 0.632 nan 8.360 nan 0.000 0.466 506 T N 0.426 114.861 114.554 -0.200 0.000 2.977 506 T HA -0.109 4.238 4.350 -0.006 0.000 0.271 506 T C 1.067 175.324 174.700 -0.738 0.000 1.105 506 T CA 0.761 62.600 62.100 -0.435 0.000 1.116 506 T CB -0.268 68.314 68.868 -0.476 0.000 0.878 506 T HN 0.064 nan 8.240 nan 0.000 0.509 507 F N 1.777 121.563 119.950 -0.273 0.000 2.684 507 F HA 0.213 4.737 4.527 -0.006 0.000 0.298 507 F C 0.979 176.712 175.800 -0.111 0.000 1.120 507 F CA -0.679 57.182 58.000 -0.232 0.000 1.332 507 F CB 0.004 38.992 39.000 -0.020 0.000 0.986 507 F HN -0.029 nan 8.300 nan 0.000 0.524 508 T N -1.897 112.624 114.554 -0.055 0.000 2.781 508 T HA 0.445 4.792 4.350 -0.006 0.000 0.305 508 T C -0.498 174.253 174.700 0.084 0.000 1.001 508 T CA -0.494 61.695 62.100 0.150 0.000 0.950 508 T CB -0.162 68.802 68.868 0.161 0.000 0.955 508 T HN -0.068 nan 8.240 nan 0.000 0.471 509 F N 3.027 123.269 119.950 0.486 0.000 2.424 509 F HA 0.327 4.850 4.527 -0.006 0.000 0.356 509 F C 1.426 177.541 175.800 0.524 0.000 1.110 509 F CA -0.744 57.556 58.000 0.499 0.000 1.161 509 F CB 0.547 39.961 39.000 0.691 0.000 1.115 509 F HN 0.628 nan 8.300 nan 0.000 0.507 510 H N 1.378 120.567 119.070 0.197 0.000 2.505 510 H HA 0.373 4.926 4.556 -0.006 0.000 0.358 510 H C 0.839 175.766 175.328 -0.668 0.000 1.304 510 H CA 0.025 56.030 56.048 -0.072 0.000 1.393 510 H CB 1.604 31.331 29.762 -0.059 0.000 1.591 510 H HN 0.739 nan 8.280 nan 0.000 0.595 511 A N 1.166 123.391 122.820 -0.990 0.000 2.014 511 A HA -0.179 4.137 4.320 -0.006 0.000 0.218 511 A C 1.640 178.896 177.584 -0.546 0.000 1.163 511 A CA 1.470 52.862 52.037 -1.074 0.000 0.652 511 A CB -0.665 17.942 19.000 -0.656 0.000 0.808 511 A HN 0.862 nan 8.150 nan 0.000 0.449 512 D N -0.257 119.979 120.400 -0.274 0.000 2.389 512 D HA -0.139 4.497 4.640 -0.006 0.000 0.221 512 D C 1.341 177.592 176.300 -0.082 0.000 0.974 512 D CA 0.670 54.609 54.000 -0.101 0.000 0.923 512 D CB -0.510 40.302 40.800 0.020 0.000 0.892 512 D HN 0.495 nan 8.370 nan 0.000 0.518 513 I N -0.135 120.355 120.570 -0.133 0.000 2.830 513 I HA -0.149 4.018 4.170 -0.006 0.000 0.263 513 I C 0.770 176.879 176.117 -0.015 0.000 1.230 513 I CA 0.373 61.661 61.300 -0.019 0.000 1.480 513 I CB 0.095 38.150 38.000 0.092 0.000 1.095 513 I HN 0.197 nan 8.210 nan 0.000 0.455 514 c N 0.147 118.700 118.600 -0.078 0.000 2.562 514 c HA 0.012 4.579 4.570 -0.006 0.000 0.266 514 c C 2.576 176.656 174.090 -0.017 0.000 1.382 514 c CA 0.977 57.291 56.329 -0.024 0.000 1.742 514 c CB -1.574 40.917 42.510 -0.031 0.000 1.812 514 c HN 0.649 nan 8.230 nan 0.000 0.559 515 T N -1.903 112.637 114.554 -0.023 0.000 3.014 515 T HA 0.262 4.609 4.350 -0.006 0.000 0.250 515 T C 0.510 175.212 174.700 0.004 0.000 1.060 515 T CA 0.160 62.254 62.100 -0.010 0.000 1.040 515 T CB -0.108 68.751 68.868 -0.014 0.000 0.971 515 T HN 0.349 nan 8.240 nan 0.000 0.497 516 L N 2.937 124.166 121.223 0.011 0.000 2.475 516 L HA 0.475 4.812 4.340 -0.006 0.000 0.253 516 L C 1.197 178.079 176.870 0.021 0.000 1.198 516 L CA -0.953 53.899 54.840 0.021 0.000 0.814 516 L CB 0.506 42.584 42.059 0.032 0.000 1.134 516 L HN 0.288 nan 8.230 nan 0.000 0.478 517 S N -0.554 115.159 115.700 0.023 0.000 2.617 517 S HA 0.008 4.474 4.470 -0.006 0.000 0.259 517 S C 0.778 175.387 174.600 0.014 0.000 1.301 517 S CA -0.265 57.946 58.200 0.018 0.000 0.984 517 S CB 1.051 64.265 63.200 0.022 0.000 0.954 517 S HN 0.675 nan 8.310 nan 0.000 0.572 518 E N 0.681 120.882 120.200 0.002 0.000 2.204 518 E HA -0.113 4.234 4.350 -0.006 0.000 0.194 518 E C 1.871 178.458 176.600 -0.023 0.000 0.989 518 E CA 1.581 57.970 56.400 -0.019 0.000 0.824 518 E CB -0.301 29.378 29.700 -0.035 0.000 0.756 518 E HN 0.758 nan 8.360 nan 0.000 0.477 519 K N 0.493 120.895 120.400 0.002 0.000 2.001 519 K HA -0.146 4.171 4.320 -0.006 0.000 0.208 519 K C 1.771 178.398 176.600 0.045 0.000 1.048 519 K CA 1.600 57.901 56.287 0.023 0.000 0.932 519 K CB -0.116 32.406 32.500 0.038 0.000 0.715 519 K HN 0.110 nan 8.250 nan 0.000 0.437 520 E N 0.018 120.245 120.200 0.044 0.000 2.338 520 E HA -0.129 4.218 4.350 -0.006 0.000 0.197 520 E C 1.987 178.631 176.600 0.072 0.000 1.007 520 E CA 0.570 57.003 56.400 0.055 0.000 0.849 520 E CB 0.057 29.784 29.700 0.045 0.000 0.774 520 E HN 0.233 nan 8.360 nan 0.000 0.506 521 R N 0.407 120.944 120.500 0.063 0.000 2.246 521 R HA 0.006 4.343 4.340 -0.006 0.000 0.199 521 R C 1.883 178.245 176.300 0.103 0.000 0.984 521 R CA 0.470 56.621 56.100 0.084 0.000 1.015 521 R CB 0.272 30.604 30.300 0.053 0.000 0.930 521 R HN 0.199 nan 8.270 nan 0.000 0.475 522 Q N 0.144 119.996 119.800 0.086 0.000 2.033 522 Q HA -0.060 4.277 4.340 -0.006 0.000 0.196 522 Q C 2.023 178.165 176.000 0.236 0.000 0.970 522 Q CA 1.158 57.063 55.803 0.170 0.000 0.828 522 Q CB 0.048 28.871 28.738 0.143 0.000 0.895 522 Q HN 0.279 nan 8.270 nan 0.000 0.440 523 I N 1.254 121.921 120.570 0.163 0.000 2.113 523 I HA -0.400 3.766 4.170 -0.006 0.000 0.242 523 I C 2.257 178.443 176.117 0.116 0.000 1.057 523 I CA 1.475 62.849 61.300 0.123 0.000 1.314 523 I CB -0.289 37.759 38.000 0.079 0.000 1.022 523 I HN 0.209 nan 8.210 nan 0.000 0.408 524 K N 0.642 121.126 120.400 0.141 0.000 2.063 524 K HA -0.213 4.104 4.320 -0.006 0.000 0.208 524 K C 2.111 178.864 176.600 0.256 0.000 1.048 524 K CA 1.462 57.853 56.287 0.174 0.000 0.928 524 K CB -0.229 32.429 32.500 0.263 0.000 0.713 524 K HN 0.356 nan 8.250 nan 0.000 0.442 525 K N 1.025 121.595 120.400 0.285 0.000 2.097 525 K HA -0.142 4.175 4.320 -0.006 0.000 0.205 525 K C 2.226 178.932 176.600 0.177 0.000 1.050 525 K CA 1.219 57.667 56.287 0.267 0.000 0.938 525 K CB 0.011 32.669 32.500 0.263 0.000 0.718 525 K HN 0.184 nan 8.250 nan 0.000 0.442 526 Q N -0.327 119.564 119.800 0.151 0.000 2.230 526 Q HA -0.066 4.271 4.340 -0.006 0.000 0.202 526 Q C 1.763 177.775 176.000 0.020 0.000 0.963 526 Q CA 1.234 57.081 55.803 0.073 0.000 0.866 526 Q CB 0.194 28.975 28.738 0.071 0.000 0.931 526 Q HN 0.230 nan 8.270 nan 0.000 0.452 527 T N 0.220 114.777 114.554 0.006 0.000 2.951 527 T HA -0.043 4.304 4.350 -0.006 0.000 0.268 527 T C 1.674 176.292 174.700 -0.136 0.000 1.073 527 T CA 1.051 63.108 62.100 -0.071 0.000 1.134 527 T CB -0.016 68.793 68.868 -0.099 0.000 0.884 527 T HN 0.332 nan 8.240 nan 0.000 0.479 528 A N 0.558 123.314 122.820 -0.108 0.000 2.072 528 A HA 0.217 4.533 4.320 -0.006 0.000 0.216 528 A C 2.069 179.667 177.584 0.023 0.000 1.156 528 A CA 0.490 52.433 52.037 -0.157 0.000 0.701 528 A CB -0.414 18.524 19.000 -0.102 0.000 0.816 528 A HN 0.398 nan 8.150 nan 0.000 0.458 529 L N 0.012 121.259 121.223 0.041 0.000 2.027 529 L HA -0.074 4.263 4.340 -0.006 0.000 0.206 529 L C 2.360 179.251 176.870 0.036 0.000 1.074 529 L CA 1.852 56.737 54.840 0.074 0.000 0.745 529 L CB -0.525 41.566 42.059 0.053 0.000 0.898 529 L HN 0.155 nan 8.230 nan 0.000 0.433 530 V N -0.157 119.748 119.914 -0.014 0.000 2.255 530 V HA -0.270 3.846 4.120 -0.006 0.000 0.247 530 V C 2.630 178.679 176.094 -0.074 0.000 1.051 530 V CA 1.894 64.170 62.300 -0.040 0.000 1.018 530 V CB -0.895 30.894 31.823 -0.057 0.000 0.641 530 V HN 0.442 nan 8.190 nan 0.000 0.445 531 E N 0.238 120.364 120.200 -0.124 0.000 2.171 531 E HA -0.193 4.154 4.350 -0.006 0.000 0.197 531 E C 2.157 178.592 176.600 -0.274 0.000 0.997 531 E CA 1.267 57.528 56.400 -0.232 0.000 0.810 531 E CB -0.376 29.138 29.700 -0.310 0.000 0.738 531 E HN 0.578 nan 8.360 nan 0.000 0.467 532 L N 0.005 121.277 121.223 0.082 0.000 2.109 532 L HA -0.105 4.231 4.340 -0.006 0.000 0.207 532 L C 2.467 179.384 176.870 0.077 0.000 1.086 532 L CA 0.510 55.449 54.840 0.164 0.000 0.760 532 L CB -0.384 41.831 42.059 0.259 0.000 0.910 532 L HN -0.038 nan 8.230 nan 0.000 0.437 533 V N -0.025 119.914 119.914 0.043 0.000 2.515 533 V HA -0.226 3.890 4.120 -0.006 0.000 0.250 533 V C 2.296 178.434 176.094 0.073 0.000 1.058 533 V CA 1.553 63.889 62.300 0.060 0.000 1.064 533 V CB -0.489 31.357 31.823 0.038 0.000 0.675 533 V HN 0.407 nan 8.190 nan 0.000 0.461 534 K N -1.011 119.385 120.400 -0.007 0.000 2.365 534 K HA -0.068 4.249 4.320 -0.006 0.000 0.199 534 K C 1.852 178.620 176.600 0.280 0.000 1.045 534 K CA 0.725 57.084 56.287 0.120 0.000 0.962 534 K CB -0.052 32.469 32.500 0.034 0.000 0.759 534 K HN 0.559 nan 8.250 nan 0.000 0.469 535 H N -0.337 118.861 119.070 0.214 0.000 2.553 535 H HA 0.135 4.688 4.556 -0.006 0.000 0.276 535 H C 0.367 175.779 175.328 0.140 0.000 0.979 535 H CA 0.603 56.761 56.048 0.183 0.000 1.268 535 H CB 0.499 30.397 29.762 0.227 0.000 1.450 535 H HN -0.071 nan 8.280 nan 0.000 0.527 536 K N 1.048 121.590 120.400 0.237 0.000 2.920 536 K HA 0.220 4.537 4.320 -0.006 0.000 0.175 536 K C -2.574 174.107 176.600 0.135 0.000 1.099 536 K CA -1.465 54.917 56.287 0.160 0.000 0.939 536 K CB 1.264 33.846 32.500 0.136 0.000 1.148 536 K HN -0.096 nan 8.250 nan 0.000 0.613 537 P HA -0.011 nan 4.420 nan 0.000 0.231 537 P C 0.250 177.609 177.300 0.098 0.000 1.168 537 P CA 0.349 63.530 63.100 0.135 0.000 0.779 537 P CB 0.385 32.209 31.700 0.207 0.000 0.844 538 K N 0.539 120.991 120.400 0.087 0.000 1.992 538 K HA 0.112 4.429 4.320 -0.006 0.000 0.207 538 K C 0.911 177.542 176.600 0.052 0.000 1.021 538 K CA 0.835 57.160 56.287 0.063 0.000 1.018 538 K CB -0.854 31.678 32.500 0.052 0.000 1.129 538 K HN -0.093 nan 8.250 nan 0.000 0.471 539 A N 2.305 125.152 122.820 0.045 0.000 2.805 539 A HA 0.133 4.449 4.320 -0.006 0.000 0.301 539 A C -0.564 177.046 177.584 0.043 0.000 1.557 539 A CA -0.121 51.939 52.037 0.038 0.000 1.254 539 A CB -0.802 18.216 19.000 0.030 0.000 1.114 539 A HN 0.461 nan 8.150 nan 0.000 0.553 540 T N 0.490 115.071 114.554 0.046 0.000 2.991 540 T HA 0.474 4.820 4.350 -0.006 0.000 0.347 540 T C 0.051 174.777 174.700 0.044 0.000 1.122 540 T CA -0.880 61.251 62.100 0.051 0.000 1.062 540 T CB 1.218 70.123 68.868 0.061 0.000 1.043 540 T HN 0.487 nan 8.240 nan 0.000 0.491 541 K N 2.082 122.506 120.400 0.041 0.000 2.552 541 K HA 0.272 4.589 4.320 -0.006 0.000 0.288 541 K C 1.802 178.427 176.600 0.042 0.000 0.976 541 K CA -0.399 55.910 56.287 0.037 0.000 1.407 541 K CB 0.368 32.886 32.500 0.031 0.000 1.832 541 K HN 0.739 nan 8.250 nan 0.000 0.806 542 E N 1.128 121.351 120.200 0.039 0.000 2.265 542 E HA -0.255 4.092 4.350 -0.006 0.000 0.196 542 E C 1.772 178.399 176.600 0.045 0.000 0.996 542 E CA 1.406 57.831 56.400 0.042 0.000 0.832 542 E CB -0.351 29.371 29.700 0.037 0.000 0.756 542 E HN 0.499 nan 8.360 nan 0.000 0.491 543 Q N 1.081 120.905 119.800 0.041 0.000 2.217 543 Q HA -0.216 4.121 4.340 -0.006 0.000 0.209 543 Q C 2.231 178.265 176.000 0.057 0.000 0.988 543 Q CA 1.736 57.564 55.803 0.041 0.000 0.878 543 Q CB -0.475 28.284 28.738 0.035 0.000 0.909 543 Q HN 0.414 nan 8.270 nan 0.000 0.424 544 L N 0.498 121.760 121.223 0.065 0.000 2.056 544 L HA -0.119 4.218 4.340 -0.006 0.000 0.207 544 L C 2.690 179.616 176.870 0.094 0.000 1.078 544 L CA 1.619 56.511 54.840 0.086 0.000 0.749 544 L CB -0.340 41.768 42.059 0.081 0.000 0.901 544 L HN 0.339 nan 8.230 nan 0.000 0.433 545 K N -0.053 120.393 120.400 0.077 0.000 2.360 545 K HA -0.178 4.139 4.320 -0.006 0.000 0.201 545 K C 1.841 178.490 176.600 0.082 0.000 1.046 545 K CA 1.080 57.413 56.287 0.077 0.000 0.940 545 K CB 0.110 32.648 32.500 0.063 0.000 0.748 545 K HN 0.322 nan 8.250 nan 0.000 0.465 546 A N 0.217 123.080 122.820 0.073 0.000 1.850 546 A HA -0.042 4.275 4.320 -0.006 0.000 0.212 546 A C 2.076 179.701 177.584 0.067 0.000 1.208 546 A CA 1.088 53.160 52.037 0.059 0.000 0.609 546 A CB -0.529 18.494 19.000 0.039 0.000 0.860 546 A HN 0.114 nan 8.150 nan 0.000 0.448 547 V N -0.014 119.950 119.914 0.084 0.000 2.688 547 V HA -0.276 3.840 4.120 -0.006 0.000 0.256 547 V C 2.532 178.754 176.094 0.213 0.000 1.084 547 V CA 2.285 64.643 62.300 0.097 0.000 1.103 547 V CB -0.842 31.062 31.823 0.135 0.000 0.688 547 V HN 0.682 nan 8.190 nan 0.000 0.480 548 M N 0.398 120.149 119.600 0.251 0.000 2.123 548 M HA -0.093 4.383 4.480 -0.006 0.000 0.263 548 M C 1.734 178.194 176.300 0.267 0.000 1.069 548 M CA 1.793 57.299 55.300 0.343 0.000 1.133 548 M CB -0.541 32.202 32.600 0.237 0.000 1.356 548 M HN 0.194 nan 8.290 nan 0.000 0.415 549 D N 0.365 120.863 120.400 0.163 0.000 2.221 549 D HA -0.193 4.444 4.640 -0.006 0.000 0.204 549 D C 1.503 177.848 176.300 0.075 0.000 0.982 549 D CA 1.476 55.548 54.000 0.119 0.000 0.857 549 D CB -0.422 40.428 40.800 0.083 0.000 0.934 549 D HN 0.544 nan 8.370 nan 0.000 0.475 550 D N -0.407 120.006 120.400 0.022 0.000 2.084 550 D HA -0.162 4.475 4.640 -0.006 0.000 0.194 550 D C 1.841 178.079 176.300 -0.104 0.000 0.990 550 D CA 0.800 54.737 54.000 -0.105 0.000 0.826 550 D CB -0.265 40.383 40.800 -0.253 0.000 0.971 550 D HN 0.072 nan 8.370 nan 0.000 0.453 551 F N 0.858 120.861 119.950 0.087 0.000 2.216 551 F HA 0.007 4.531 4.527 -0.006 0.000 0.300 551 F C 2.496 178.309 175.800 0.022 0.000 1.085 551 F CA 1.027 59.076 58.000 0.082 0.000 1.326 551 F CB -0.782 38.259 39.000 0.068 0.000 1.027 551 F HN 0.014 nan 8.300 nan 0.000 0.497 552 A N -0.064 122.873 122.820 0.196 0.000 1.902 552 A HA -0.075 4.241 4.320 -0.006 0.000 0.217 552 A C 2.431 180.041 177.584 0.044 0.000 1.181 552 A CA 1.821 53.925 52.037 0.112 0.000 0.623 552 A CB -1.250 17.826 19.000 0.127 0.000 0.818 552 A HN 0.308 nan 8.150 nan 0.000 0.443 553 A N -0.738 122.109 122.820 0.045 0.000 1.832 553 A HA 0.022 4.338 4.320 -0.006 0.000 0.214 553 A C 1.984 179.564 177.584 -0.006 0.000 1.200 553 A CA 1.609 53.654 52.037 0.012 0.000 0.610 553 A CB -0.989 18.017 19.000 0.010 0.000 0.842 553 A HN 0.810 nan 8.150 nan 0.000 0.444 554 F N 1.286 121.148 119.950 -0.146 0.000 2.079 554 F HA -0.290 4.234 4.527 -0.006 0.000 0.296 554 F C 2.101 177.742 175.800 -0.265 0.000 1.084 554 F CA 2.198 60.070 58.000 -0.212 0.000 1.236 554 F CB -0.913 37.946 39.000 -0.234 0.000 0.984 554 F HN 0.037 nan 8.300 nan 0.000 0.488 555 V N 0.628 120.235 119.914 -0.512 0.000 2.221 555 V HA -0.314 3.803 4.120 -0.006 0.000 0.242 555 V C 2.418 178.349 176.094 -0.273 0.000 1.041 555 V CA 2.208 64.199 62.300 -0.515 0.000 0.995 555 V CB -1.048 30.647 31.823 -0.213 0.000 0.635 555 V HN 0.487 nan 8.190 nan 0.000 0.448 556 E N 0.581 120.700 120.200 -0.135 0.000 2.086 556 E HA -0.350 3.996 4.350 -0.006 0.000 0.205 556 E C 2.309 178.863 176.600 -0.078 0.000 1.027 556 E CA 2.365 58.723 56.400 -0.070 0.000 0.830 556 E CB -0.257 29.419 29.700 -0.039 0.000 0.751 556 E HN 0.531 nan 8.360 nan 0.000 0.456 557 K N 0.119 120.459 120.400 -0.099 0.000 1.978 557 K HA -0.193 4.124 4.320 -0.006 0.000 0.214 557 K C 2.260 178.802 176.600 -0.097 0.000 1.049 557 K CA 1.934 58.175 56.287 -0.078 0.000 0.939 557 K CB -0.575 31.889 32.500 -0.060 0.000 0.721 557 K HN 0.316 nan 8.250 nan 0.000 0.441 558 c N 0.745 119.215 118.600 -0.215 0.000 2.419 558 c HA -0.093 4.473 4.570 -0.006 0.000 0.281 558 c C 2.751 176.847 174.090 0.010 0.000 1.336 558 c CA 0.456 56.659 56.329 -0.210 0.000 1.770 558 c CB -1.087 41.043 42.510 -0.634 0.000 1.929 558 c HN 0.651 nan 8.230 nan 0.000 0.509 559 c N 0.448 119.075 118.600 0.044 0.000 2.485 559 c HA -0.011 4.555 4.570 -0.006 0.000 0.283 559 c C 1.647 175.775 174.090 0.064 0.000 1.478 559 c CA 1.012 57.428 56.329 0.145 0.000 1.741 559 c CB -1.533 41.046 42.510 0.114 0.000 1.675 559 c HN 0.603 nan 8.230 nan 0.000 0.573 560 K N -0.681 119.738 120.400 0.032 0.000 2.826 560 K HA 0.262 4.579 4.320 -0.006 0.000 0.206 560 K C 0.752 177.363 176.600 0.018 0.000 1.116 560 K CA 0.010 56.309 56.287 0.020 0.000 1.045 560 K CB 0.567 33.071 32.500 0.007 0.000 0.758 560 K HN 0.192 nan 8.250 nan 0.000 0.465 561 A N 0.992 123.829 122.820 0.030 0.000 2.308 561 A HA 0.072 4.388 4.320 -0.006 0.000 0.217 561 A C -0.073 177.530 177.584 0.032 0.000 1.216 561 A CA 0.143 52.197 52.037 0.027 0.000 0.864 561 A CB -0.045 18.973 19.000 0.030 0.000 0.902 561 A HN 0.362 nan 8.150 nan 0.000 0.499 562 D N 0.943 121.362 120.400 0.033 0.000 2.911 562 D HA -0.146 4.490 4.640 -0.006 0.000 0.227 562 D C -0.120 176.199 176.300 0.033 0.000 1.164 562 D CA 1.442 55.458 54.000 0.028 0.000 0.782 562 D CB -1.317 39.495 40.800 0.020 0.000 1.094 562 D HN 0.819 nan 8.370 nan 0.000 0.425 563 D N -0.315 120.114 120.400 0.047 0.000 2.369 563 D HA 0.025 4.661 4.640 -0.006 0.000 0.241 563 D C 0.729 177.054 176.300 0.042 0.000 1.271 563 D CA -0.105 53.928 54.000 0.055 0.000 0.942 563 D CB 0.752 41.607 40.800 0.091 0.000 1.129 563 D HN -0.101 nan 8.370 nan 0.000 0.476 564 K N -0.163 120.262 120.400 0.043 0.000 2.832 564 K HA 0.128 4.444 4.320 -0.006 0.000 0.211 564 K C -0.238 176.377 176.600 0.025 0.000 1.112 564 K CA -0.347 55.957 56.287 0.027 0.000 1.108 564 K CB 0.232 32.749 32.500 0.030 0.000 0.899 564 K HN 0.581 nan 8.250 nan 0.000 0.464 565 E N -1.488 118.731 120.200 0.031 0.000 4.129 565 E HA -0.208 4.139 4.350 -0.006 0.000 0.354 565 E C 0.550 177.220 176.600 0.116 0.000 0.673 565 E CA 1.194 57.607 56.400 0.021 0.000 1.347 565 E CB -1.569 28.087 29.700 -0.074 0.000 1.722 565 E HN 0.342 nan 8.360 nan 0.000 0.410 566 T N 0.348 114.968 114.554 0.109 0.000 2.443 566 T HA -0.334 4.012 4.350 -0.006 0.000 0.248 566 T C 2.210 177.008 174.700 0.163 0.000 1.247 566 T CA 1.889 64.061 62.100 0.120 0.000 1.261 566 T CB -1.103 67.816 68.868 0.085 0.000 0.867 566 T HN 0.629 nan 8.240 nan 0.000 0.394 567 c N 1.108 119.791 118.600 0.139 0.000 2.396 567 c HA -0.181 4.386 4.570 -0.006 0.000 0.279 567 c C 2.326 176.534 174.090 0.197 0.000 1.229 567 c CA 0.575 56.985 56.329 0.134 0.000 1.801 567 c CB -2.179 40.381 42.510 0.083 0.000 2.050 567 c HN 0.410 nan 8.230 nan 0.000 0.491 568 F N 2.332 122.367 119.950 0.142 0.000 2.026 568 F HA 0.020 4.544 4.527 -0.006 0.000 0.296 568 F C 2.766 178.777 175.800 0.350 0.000 1.133 568 F CA 2.524 60.645 58.000 0.201 0.000 1.188 568 F CB -0.933 38.101 39.000 0.057 0.000 0.968 568 F HN 0.294 nan 8.300 nan 0.000 0.476 569 A N -0.241 122.858 122.820 0.465 0.000 1.865 569 A HA -0.184 4.133 4.320 -0.006 0.000 0.217 569 A C 2.093 179.840 177.584 0.270 0.000 1.191 569 A CA 1.880 54.136 52.037 0.364 0.000 0.623 569 A CB -0.775 18.381 19.000 0.260 0.000 0.826 569 A HN 0.436 nan 8.150 nan 0.000 0.444 570 E N -0.209 120.115 120.200 0.206 0.000 2.208 570 E HA -0.122 4.225 4.350 -0.006 0.000 0.193 570 E C 1.787 178.451 176.600 0.107 0.000 0.988 570 E CA 0.797 57.280 56.400 0.137 0.000 0.828 570 E CB -0.204 29.558 29.700 0.104 0.000 0.763 570 E HN 0.589 nan 8.360 nan 0.000 0.478 571 E N 0.258 120.544 120.200 0.144 0.000 2.112 571 E HA -0.034 4.312 4.350 -0.006 0.000 0.190 571 E C 2.159 178.678 176.600 -0.135 0.000 0.979 571 E CA 0.815 57.251 56.400 0.061 0.000 0.814 571 E CB -0.453 29.367 29.700 0.200 0.000 0.762 571 E HN 0.313 nan 8.360 nan 0.000 0.460 572 G N 1.739 110.497 108.800 -0.071 0.000 2.469 572 G HA2 -0.340 3.616 3.960 -0.006 0.000 0.219 572 G HA3 -0.340 3.616 3.960 -0.006 0.000 0.219 572 G C 1.753 176.641 174.900 -0.021 0.000 1.150 572 G CA 1.369 46.358 45.100 -0.186 0.000 0.763 572 G HN 0.207 nan 8.290 nan 0.000 0.561 573 K N 0.688 121.127 120.400 0.064 0.000 2.032 573 K HA -0.067 4.250 4.320 -0.006 0.000 0.209 573 K C 2.391 178.990 176.600 -0.002 0.000 1.048 573 K CA 1.246 57.572 56.287 0.065 0.000 0.927 573 K CB -0.092 32.455 32.500 0.078 0.000 0.712 573 K HN 0.096 nan 8.250 nan 0.000 0.441 574 K N 0.147 120.525 120.400 -0.038 0.000 2.296 574 K HA 0.031 4.348 4.320 -0.006 0.000 0.200 574 K C 1.872 178.398 176.600 -0.123 0.000 1.048 574 K CA 0.763 57.009 56.287 -0.068 0.000 0.966 574 K CB 0.081 32.547 32.500 -0.057 0.000 0.754 574 K HN 0.266 nan 8.250 nan 0.000 0.466 575 L N 0.789 121.903 121.223 -0.183 0.000 2.375 575 L HA -0.028 4.309 4.340 -0.006 0.000 0.215 575 L C 2.101 178.864 176.870 -0.179 0.000 1.108 575 L CA 0.323 55.000 54.840 -0.271 0.000 0.830 575 L CB -0.386 41.355 42.059 -0.529 0.000 0.959 575 L HN -0.119 nan 8.230 nan 0.000 0.457 576 V N -3.349 116.531 119.914 -0.058 0.000 3.041 576 V HA 0.081 4.197 4.120 -0.006 0.000 0.260 576 V C 2.336 178.287 176.094 -0.240 0.000 1.105 576 V CA 1.200 63.496 62.300 -0.007 0.000 1.125 576 V CB -0.650 31.303 31.823 0.217 0.000 0.730 576 V HN 0.249 nan 8.190 nan 0.000 0.479 577 A N 0.733 123.446 122.820 -0.179 0.000 1.935 577 A HA 0.404 4.721 4.320 -0.006 0.000 0.214 577 A C 2.401 179.878 177.584 -0.179 0.000 1.178 577 A CA 1.372 53.294 52.037 -0.192 0.000 0.640 577 A CB -0.754 18.171 19.000 -0.124 0.000 0.825 577 A HN 0.792 nan 8.150 nan 0.000 0.447 578 A N 0.484 123.208 122.820 -0.160 0.000 1.969 578 A HA -0.057 4.259 4.320 -0.006 0.000 0.218 578 A C 2.414 179.913 177.584 -0.141 0.000 1.169 578 A CA 2.206 54.156 52.037 -0.146 0.000 0.635 578 A CB -0.676 18.227 19.000 -0.162 0.000 0.810 578 A HN 0.829 nan 8.150 nan 0.000 0.445 579 S N -1.460 114.148 115.700 -0.153 0.000 2.439 579 S HA -0.090 4.377 4.470 -0.006 0.000 0.224 579 S C 1.936 176.457 174.600 -0.131 0.000 1.029 579 S CA 0.811 58.956 58.200 -0.092 0.000 0.946 579 S CB -0.299 62.918 63.200 0.028 0.000 0.797 579 S HN 0.492 nan 8.310 nan 0.000 0.504 580 Q N 1.896 121.529 119.800 -0.280 0.000 2.170 580 Q HA 0.011 4.347 4.340 -0.006 0.000 0.203 580 Q C 2.198 178.092 176.000 -0.177 0.000 0.976 580 Q CA 1.721 57.320 55.803 -0.340 0.000 0.858 580 Q CB -0.671 27.742 28.738 -0.541 0.000 0.907 580 Q HN 0.673 nan 8.270 nan 0.000 0.433 581 A N 0.686 123.421 122.820 -0.142 0.000 1.969 581 A HA 0.135 4.452 4.320 -0.006 0.000 0.218 581 A C 1.428 178.978 177.584 -0.055 0.000 1.169 581 A CA 1.035 53.017 52.037 -0.091 0.000 0.635 581 A CB -0.659 18.291 19.000 -0.083 0.000 0.810 581 A HN 0.457 nan 8.150 nan 0.000 0.445 582 A N 0.000 122.793 122.820 -0.045 0.000 2.254 582 A HA 0.000 4.317 4.320 -0.006 0.000 0.244 582 A CA 0.000 52.029 52.037 -0.013 0.000 0.836 582 A CB 0.000 19.002 19.000 0.003 0.000 0.831 582 A HN 0.000 nan 8.150 nan 0.000 0.486