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 3jry_1_A 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 LVAAS 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 0.000 174.631 174.600 0.052 0.000 1.055 5 S CA 0.000 58.199 58.200 -0.001 0.000 1.107 5 S CB 0.000 63.202 63.200 0.004 0.000 0.593 6 E N 1.629 121.867 120.200 0.062 0.000 2.107 6 E HA 0.045 4.396 4.350 0.002 0.000 0.191 6 E C 1.769 178.453 176.600 0.141 0.000 0.982 6 E CA 1.617 58.089 56.400 0.121 0.000 0.809 6 E CB -0.382 29.364 29.700 0.076 0.000 0.756 6 E HN 0.269 nan 8.360 nan 0.000 0.459 7 V N -0.050 119.920 119.914 0.092 0.000 2.490 7 V HA -0.181 3.940 4.120 0.002 0.000 0.250 7 V C 1.941 178.112 176.094 0.128 0.000 1.061 7 V CA 1.981 64.370 62.300 0.148 0.000 1.064 7 V CB -0.357 31.523 31.823 0.097 0.000 0.670 7 V HN 0.400 nan 8.190 nan 0.000 0.461 8 A N -1.012 121.829 122.820 0.036 0.000 1.930 8 A HA -0.173 4.148 4.320 0.002 0.000 0.215 8 A C 2.052 179.719 177.584 0.139 0.000 1.176 8 A CA 1.499 53.542 52.037 0.010 0.000 0.632 8 A CB -0.878 18.084 19.000 -0.064 0.000 0.819 8 A HN 0.801 nan 8.150 nan 0.000 0.445 9 H N 0.310 119.416 119.070 0.061 0.000 2.352 9 H HA -0.073 4.484 4.556 0.002 0.000 0.299 9 H C 1.986 177.384 175.328 0.118 0.000 1.097 9 H CA 2.083 58.175 56.048 0.073 0.000 1.311 9 H CB 0.026 29.819 29.762 0.052 0.000 1.377 9 H HN 0.254 nan 8.280 nan 0.000 0.504 10 R N -0.744 119.739 120.500 -0.028 0.000 2.127 10 R HA -0.052 4.289 4.340 0.002 0.000 0.217 10 R C 2.336 178.749 176.300 0.189 0.000 1.074 10 R CA 0.830 56.922 56.100 -0.015 0.000 0.991 10 R CB -1.193 29.176 30.300 0.116 0.000 0.895 10 R HN 0.383 nan 8.270 nan 0.000 0.450 11 F N 2.473 122.467 119.950 0.072 0.000 2.075 11 F HA -0.205 4.324 4.527 0.002 0.000 0.297 11 F C 2.129 177.884 175.800 -0.075 0.000 1.113 11 F CA 1.709 59.630 58.000 -0.131 0.000 1.218 11 F CB 0.046 38.783 39.000 -0.438 0.000 0.984 11 F HN -0.125 nan 8.300 nan 0.000 0.472 12 K N -0.035 120.486 120.400 0.201 0.000 2.032 12 K HA -0.199 4.122 4.320 0.002 0.000 0.209 12 K C 1.740 178.348 176.600 0.012 0.000 1.048 12 K CA 1.839 58.197 56.287 0.118 0.000 0.927 12 K CB -0.395 32.188 32.500 0.138 0.000 0.712 12 K HN 0.241 nan 8.250 nan 0.000 0.441 13 D N 0.719 121.115 120.400 -0.005 0.000 2.117 13 D HA -0.126 4.515 4.640 0.002 0.000 0.197 13 D C 1.813 178.086 176.300 -0.045 0.000 0.987 13 D CA 1.133 55.115 54.000 -0.030 0.000 0.829 13 D CB -0.032 40.711 40.800 -0.094 0.000 0.961 13 D HN 0.132 nan 8.370 nan 0.000 0.460 14 L N -0.733 120.455 121.223 -0.059 0.000 2.416 14 L HA 0.239 4.580 4.340 0.002 0.000 0.216 14 L C 0.993 177.790 176.870 -0.123 0.000 1.098 14 L CA 0.237 55.042 54.840 -0.059 0.000 0.840 14 L CB -0.305 41.754 42.059 -0.001 0.000 0.981 14 L HN 0.078 nan 8.230 nan 0.000 0.462 15 G N 1.015 109.664 108.800 -0.253 0.000 2.764 15 G HA2 -0.270 3.691 3.960 0.002 0.000 0.686 15 G HA3 -0.270 3.691 3.960 0.002 0.000 0.686 15 G C 0.428 175.035 174.900 -0.488 0.000 1.258 15 G CA 0.141 45.026 45.100 -0.358 0.000 0.846 15 G HN 0.385 nan 8.290 nan 0.000 0.596 16 E N 0.219 120.013 120.200 -0.677 0.000 2.130 16 E HA -0.222 4.129 4.350 0.002 0.000 0.196 16 E C 1.922 178.444 176.600 -0.129 0.000 0.998 16 E CA 1.793 57.853 56.400 -0.567 0.000 0.806 16 E CB -0.045 29.508 29.700 -0.244 0.000 0.738 16 E HN 0.732 nan 8.360 nan 0.000 0.459 17 E N -0.028 120.119 120.200 -0.087 0.000 2.047 17 E HA -0.196 4.155 4.350 0.002 0.000 0.191 17 E C 1.868 178.471 176.600 0.005 0.000 0.987 17 E CA 1.203 57.596 56.400 -0.013 0.000 0.799 17 E CB -0.003 29.691 29.700 -0.010 0.000 0.752 17 E HN 0.257 nan 8.360 nan 0.000 0.449 18 N N 0.299 118.992 118.700 -0.012 0.000 2.188 18 N HA -0.151 4.590 4.740 0.002 0.000 0.184 18 N C 1.633 177.143 175.510 -0.000 0.000 1.018 18 N CA 0.886 53.931 53.050 -0.007 0.000 0.858 18 N CB -0.580 37.897 38.487 -0.017 0.000 0.989 18 N HN 0.213 nan 8.380 nan 0.000 0.426 19 F N 2.203 122.065 119.950 -0.146 0.000 2.065 19 F HA -0.215 4.313 4.527 0.002 0.000 0.298 19 F C 2.210 177.951 175.800 -0.099 0.000 1.112 19 F CA 1.624 59.551 58.000 -0.121 0.000 1.212 19 F CB 0.002 38.901 39.000 -0.169 0.000 0.975 19 F HN -0.088 nan 8.300 nan 0.000 0.476 20 K N 0.070 120.597 120.400 0.212 0.000 2.063 20 K HA -0.191 4.130 4.320 0.002 0.000 0.208 20 K C 2.282 178.824 176.600 -0.096 0.000 1.048 20 K CA 1.213 57.548 56.287 0.080 0.000 0.928 20 K CB -0.577 31.989 32.500 0.109 0.000 0.713 20 K HN 0.402 nan 8.250 nan 0.000 0.442 21 A N 1.252 124.033 122.820 -0.066 0.000 1.902 21 A HA -0.156 4.165 4.320 0.002 0.000 0.217 21 A C 2.106 179.591 177.584 -0.166 0.000 1.181 21 A CA 1.345 53.331 52.037 -0.084 0.000 0.623 21 A CB -0.602 18.379 19.000 -0.031 0.000 0.818 21 A HN 0.185 nan 8.150 nan 0.000 0.443 22 L N -0.676 120.419 121.223 -0.213 0.000 2.093 22 L HA -0.124 4.217 4.340 0.002 0.000 0.208 22 L C 2.470 179.089 176.870 -0.418 0.000 1.085 22 L CA 0.767 55.446 54.840 -0.268 0.000 0.755 22 L CB -0.357 41.554 42.059 -0.247 0.000 0.904 22 L HN 0.242 nan 8.230 nan 0.000 0.435 23 V N -0.224 119.339 119.914 -0.586 0.000 2.427 23 V HA -0.263 3.858 4.120 0.002 0.000 0.248 23 V C 2.325 177.896 176.094 -0.871 0.000 1.051 23 V CA 1.450 63.219 62.300 -0.886 0.000 1.048 23 V CB -0.318 30.908 31.823 -0.994 0.000 0.666 23 V HN 0.328 nan 8.190 nan 0.000 0.456 24 L N 0.017 120.917 121.223 -0.538 0.000 2.046 24 L HA -0.107 4.234 4.340 0.002 0.000 0.208 24 L C 2.135 178.839 176.870 -0.276 0.000 1.077 24 L CA 1.859 56.480 54.840 -0.366 0.000 0.747 24 L CB -0.481 41.469 42.059 -0.180 0.000 0.896 24 L HN 0.220 nan 8.230 nan 0.000 0.432 25 I N -0.381 120.037 120.570 -0.254 0.000 2.226 25 I HA -0.290 3.881 4.170 0.002 0.000 0.245 25 I C 2.604 178.576 176.117 -0.242 0.000 1.100 25 I CA 1.209 62.383 61.300 -0.210 0.000 1.374 25 I CB -0.674 37.219 38.000 -0.177 0.000 1.057 25 I HN 0.358 nan 8.210 nan 0.000 0.413 26 A N 0.850 123.493 122.820 -0.294 0.000 1.902 26 A HA -0.202 4.119 4.320 0.002 0.000 0.217 26 A C 2.124 179.630 177.584 -0.129 0.000 1.181 26 A CA 1.550 53.418 52.037 -0.281 0.000 0.623 26 A CB -0.835 17.998 19.000 -0.279 0.000 0.818 26 A HN 0.307 nan 8.150 nan 0.000 0.443 27 F N 0.099 119.832 119.950 -0.361 0.000 2.102 27 F HA -0.072 4.456 4.527 0.002 0.000 0.298 27 F C 2.851 178.350 175.800 -0.502 0.000 1.105 27 F CA 0.405 58.176 58.000 -0.381 0.000 1.239 27 F CB -1.246 37.483 39.000 -0.452 0.000 0.991 27 F HN 0.281 nan 8.300 nan 0.000 0.474 28 A N -0.722 121.907 122.820 -0.319 0.000 2.067 28 A HA -0.175 4.146 4.320 0.002 0.000 0.219 28 A C 2.080 179.578 177.584 -0.144 0.000 1.158 28 A CA 1.322 53.218 52.037 -0.235 0.000 0.661 28 A CB -0.620 18.322 19.000 -0.096 0.000 0.801 28 A HN 0.495 nan 8.150 nan 0.000 0.452 29 Q N -2.317 117.365 119.800 -0.197 0.000 2.339 29 Q HA -0.003 4.338 4.340 0.002 0.000 0.205 29 Q C 1.485 177.372 176.000 -0.188 0.000 0.925 29 Q CA 0.705 56.368 55.803 -0.233 0.000 0.898 29 Q CB -0.040 28.497 28.738 -0.335 0.000 1.013 29 Q HN 0.763 nan 8.270 nan 0.000 0.504 30 Y N 0.288 120.501 120.300 -0.144 0.000 2.243 30 Y HA 0.054 4.605 4.550 0.002 0.000 0.293 30 Y C 0.939 176.792 175.900 -0.079 0.000 1.124 30 Y CA 0.552 58.553 58.100 -0.164 0.000 1.159 30 Y CB 0.450 38.681 38.460 -0.381 0.000 1.008 30 Y HN -0.046 nan 8.280 nan 0.000 0.527 31 L N 1.297 122.591 121.223 0.118 0.000 2.435 31 L HA 0.248 4.589 4.340 0.002 0.000 0.253 31 L C 0.597 177.580 176.870 0.188 0.000 1.087 31 L CA -0.051 54.883 54.840 0.156 0.000 0.950 31 L CB 0.925 43.101 42.059 0.195 0.000 1.304 31 L HN 0.128 nan 8.230 nan 0.000 0.453 32 Q N 0.047 119.912 119.800 0.108 0.000 2.472 32 Q HA -0.049 4.292 4.340 0.002 0.000 0.208 32 Q C 1.165 177.208 176.000 0.072 0.000 0.958 32 Q CA 0.746 56.583 55.803 0.056 0.000 0.932 32 Q CB 0.421 29.156 28.738 -0.005 0.000 1.007 32 Q HN 0.618 nan 8.270 nan 0.000 0.508 33 Q N -0.891 118.969 119.800 0.100 0.000 2.317 33 Q HA 0.090 4.431 4.340 0.002 0.000 0.220 33 Q C 0.378 176.435 176.000 0.094 0.000 0.873 33 Q CA 0.112 55.963 55.803 0.080 0.000 0.936 33 Q CB 0.704 29.475 28.738 0.055 0.000 1.105 33 Q HN 0.283 nan 8.270 nan 0.000 0.520 34 C N 3.652 123.019 119.300 0.111 0.000 2.644 34 C HA 0.258 4.719 4.460 0.002 0.000 0.417 34 C C -1.837 173.172 174.990 0.031 0.000 1.304 34 C CA -0.946 58.063 59.018 -0.016 0.000 2.035 34 C CB -0.030 27.576 27.740 -0.223 0.000 2.673 34 C HN 0.230 nan 8.230 nan 0.000 0.602 35 P HA 0.105 nan 4.420 nan 0.000 0.274 35 P C 0.621 177.850 177.300 -0.118 0.000 1.237 35 P CA -0.372 62.749 63.100 0.036 0.000 0.793 35 P CB 0.287 31.983 31.700 -0.007 0.000 0.977 36 F N 2.001 121.709 119.950 -0.403 0.000 2.087 36 F HA -0.279 4.249 4.527 0.002 0.000 0.299 36 F C 1.775 177.353 175.800 -0.370 0.000 1.100 36 F CA 2.074 59.598 58.000 -0.794 0.000 1.226 36 F CB -0.501 38.094 39.000 -0.674 0.000 0.983 36 F HN 0.320 nan 8.300 nan 0.000 0.479 37 E N 0.291 120.323 120.200 -0.280 0.000 2.110 37 E HA -0.181 4.170 4.350 0.002 0.000 0.193 37 E C 1.909 178.343 176.600 -0.277 0.000 0.988 37 E CA 1.500 57.723 56.400 -0.294 0.000 0.804 37 E CB -0.435 29.207 29.700 -0.097 0.000 0.745 37 E HN 0.463 nan 8.360 nan 0.000 0.458 38 D N -0.472 119.780 120.400 -0.246 0.000 2.117 38 D HA -0.133 4.508 4.640 0.002 0.000 0.198 38 D C 1.756 177.963 176.300 -0.155 0.000 0.982 38 D CA 1.150 55.027 54.000 -0.204 0.000 0.828 38 D CB -0.418 40.237 40.800 -0.241 0.000 0.967 38 D HN 0.431 nan 8.370 nan 0.000 0.464 39 H N 0.060 119.041 119.070 -0.148 0.000 2.326 39 H HA -0.046 4.511 4.556 0.002 0.000 0.301 39 H C 2.313 177.569 175.328 -0.120 0.000 1.081 39 H CA 0.851 56.869 56.048 -0.050 0.000 1.334 39 H CB 0.111 29.852 29.762 -0.034 0.000 1.385 39 H HN -0.098 nan 8.280 nan 0.000 0.504 40 V N 1.216 120.986 119.914 -0.241 0.000 2.324 40 V HA -0.333 3.788 4.120 0.002 0.000 0.250 40 V C 2.341 178.368 176.094 -0.112 0.000 1.060 40 V CA 2.130 64.263 62.300 -0.278 0.000 1.042 40 V CB -0.477 31.032 31.823 -0.523 0.000 0.650 40 V HN 0.387 nan 8.190 nan 0.000 0.450 41 K N -0.229 120.114 120.400 -0.094 0.000 2.063 41 K HA -0.168 4.153 4.320 0.002 0.000 0.208 41 K C 2.045 178.671 176.600 0.044 0.000 1.048 41 K CA 1.646 57.916 56.287 -0.029 0.000 0.928 41 K CB -0.166 32.309 32.500 -0.041 0.000 0.713 41 K HN 0.453 nan 8.250 nan 0.000 0.442 42 L N 0.083 121.372 121.223 0.110 0.000 2.179 42 L HA -0.084 4.257 4.340 0.002 0.000 0.208 42 L C 2.291 179.318 176.870 0.261 0.000 1.096 42 L CA 0.227 55.202 54.840 0.225 0.000 0.779 42 L CB -0.196 42.061 42.059 0.331 0.000 0.922 42 L HN -0.028 nan 8.230 nan 0.000 0.443 43 V N 0.398 120.398 119.914 0.144 0.000 2.343 43 V HA -0.248 3.873 4.120 0.002 0.000 0.247 43 V C 2.258 178.395 176.094 0.073 0.000 1.051 43 V CA 1.730 64.018 62.300 -0.019 0.000 1.036 43 V CB -0.602 31.134 31.823 -0.144 0.000 0.654 43 V HN 0.477 nan 8.190 nan 0.000 0.451 44 N N 0.187 118.928 118.700 0.067 0.000 2.120 44 N HA -0.168 4.573 4.740 0.002 0.000 0.188 44 N C 1.814 177.393 175.510 0.115 0.000 1.024 44 N CA 1.533 54.632 53.050 0.082 0.000 0.852 44 N CB -0.261 38.252 38.487 0.045 0.000 1.003 44 N HN 0.617 nan 8.380 nan 0.000 0.424 45 E N 0.324 120.598 120.200 0.123 0.000 2.031 45 E HA -0.105 4.246 4.350 0.002 0.000 0.193 45 E C 2.004 178.732 176.600 0.213 0.000 0.994 45 E CA 1.063 57.546 56.400 0.138 0.000 0.800 45 E CB -0.155 29.614 29.700 0.115 0.000 0.752 45 E HN 0.031 nan 8.360 nan 0.000 0.447 46 V N 1.476 121.555 119.914 0.275 0.000 2.380 46 V HA -0.284 3.837 4.120 0.002 0.000 0.251 46 V C 2.298 178.646 176.094 0.423 0.000 1.063 46 V CA 2.229 64.776 62.300 0.411 0.000 1.055 46 V CB -0.780 31.324 31.823 0.468 0.000 0.657 46 V HN 0.367 nan 8.190 nan 0.000 0.455 47 T N 0.439 115.196 114.554 0.338 0.000 2.777 47 T HA -0.174 4.178 4.350 0.002 0.000 0.266 47 T C 1.768 176.509 174.700 0.069 0.000 1.040 47 T CA 1.639 63.904 62.100 0.275 0.000 1.141 47 T CB -0.256 68.780 68.868 0.280 0.000 0.868 47 T HN 0.865 nan 8.240 nan 0.000 0.444 48 E N 0.559 120.817 120.200 0.097 0.000 2.208 48 E HA -0.113 4.238 4.350 0.002 0.000 0.193 48 E C 1.999 178.625 176.600 0.044 0.000 0.988 48 E CA 0.738 57.156 56.400 0.031 0.000 0.828 48 E CB -0.515 29.220 29.700 0.059 0.000 0.763 48 E HN 0.480 nan 8.360 nan 0.000 0.478 49 F N 2.752 122.691 119.950 -0.018 0.000 2.113 49 F HA 0.012 4.540 4.527 0.002 0.000 0.297 49 F C 2.420 178.166 175.800 -0.090 0.000 1.103 49 F CA 1.218 59.205 58.000 -0.022 0.000 1.248 49 F CB -0.744 38.281 39.000 0.043 0.000 0.999 49 F HN 0.074 nan 8.300 nan 0.000 0.475 50 A N 0.755 123.406 122.820 -0.281 0.000 1.927 50 A HA -0.295 4.026 4.320 0.002 0.000 0.220 50 A C 2.284 179.433 177.584 -0.725 0.000 1.185 50 A CA 2.348 54.070 52.037 -0.526 0.000 0.639 50 A CB -0.878 17.849 19.000 -0.457 0.000 0.820 50 A HN 0.526 nan 8.150 nan 0.000 0.451 51 K N -0.810 119.163 120.400 -0.712 0.000 2.103 51 K HA -0.141 4.180 4.320 0.002 0.000 0.207 51 K C 2.243 178.604 176.600 -0.398 0.000 1.048 51 K CA 1.811 57.705 56.287 -0.655 0.000 0.930 51 K CB -0.516 31.716 32.500 -0.446 0.000 0.716 51 K HN 0.768 nan 8.250 nan 0.000 0.444 52 T N -1.116 113.255 114.554 -0.305 0.000 2.915 52 T HA -0.141 4.210 4.350 0.002 0.000 0.269 52 T C 2.228 176.772 174.700 -0.260 0.000 1.071 52 T CA 1.177 63.155 62.100 -0.204 0.000 1.132 52 T CB -0.629 68.194 68.868 -0.075 0.000 0.878 52 T HN 0.207 nan 8.240 nan 0.000 0.479 53 c N 1.388 119.734 118.600 -0.423 0.000 2.466 53 c HA 0.104 4.675 4.570 0.002 0.000 0.278 53 c C 2.973 176.915 174.090 -0.246 0.000 1.288 53 c CA 0.536 56.639 56.329 -0.375 0.000 1.722 53 c CB -0.997 41.199 42.510 -0.522 0.000 2.017 53 c HN 0.652 nan 8.230 nan 0.000 0.488 54 V N 0.874 120.622 119.914 -0.277 0.000 2.759 54 V HA 0.019 4.140 4.120 0.002 0.000 0.256 54 V C 2.253 178.268 176.094 -0.131 0.000 1.080 54 V CA 2.153 64.346 62.300 -0.178 0.000 1.101 54 V CB -1.033 30.681 31.823 -0.183 0.000 0.698 54 V HN 0.397 nan 8.190 nan 0.000 0.477 55 A N 0.260 122.990 122.820 -0.149 0.000 1.898 55 A HA -0.039 4.282 4.320 0.002 0.000 0.216 55 A C 1.312 178.852 177.584 -0.073 0.000 1.181 55 A CA 1.689 53.666 52.037 -0.099 0.000 0.620 55 A CB -0.355 18.587 19.000 -0.097 0.000 0.819 55 A HN 0.684 nan 8.150 nan 0.000 0.442 56 D N -1.570 118.781 120.400 -0.082 0.000 2.386 56 D HA 0.285 4.926 4.640 0.002 0.000 0.247 56 D C 0.182 176.443 176.300 -0.065 0.000 1.336 56 D CA -0.372 53.594 54.000 -0.057 0.000 0.976 56 D CB 0.724 41.501 40.800 -0.038 0.000 1.257 56 D HN 0.263 nan 8.370 nan 0.000 0.570 57 E N 0.742 120.908 120.200 -0.056 0.000 2.338 57 E HA -0.080 4.271 4.350 0.002 0.000 0.197 57 E C 0.875 177.454 176.600 -0.034 0.000 1.007 57 E CA 0.759 57.126 56.400 -0.055 0.000 0.849 57 E CB 0.303 29.980 29.700 -0.039 0.000 0.774 57 E HN 0.425 nan 8.360 nan 0.000 0.506 58 S N -0.506 115.181 115.700 -0.021 0.000 2.568 58 S HA 0.410 4.881 4.470 0.002 0.000 0.232 58 S C 0.603 175.206 174.600 0.005 0.000 0.975 58 S CA -0.349 57.848 58.200 -0.005 0.000 0.949 58 S CB 0.687 63.885 63.200 -0.003 0.000 0.829 58 S HN 0.189 nan 8.310 nan 0.000 0.479 59 A N 2.253 125.073 122.820 -0.000 0.000 2.325 59 A HA 0.379 4.700 4.320 0.002 0.000 0.260 59 A C 1.236 178.857 177.584 0.061 0.000 1.133 59 A CA 0.098 52.147 52.037 0.020 0.000 0.801 59 A CB -0.127 18.876 19.000 0.005 0.000 1.092 59 A HN 0.508 nan 8.150 nan 0.000 0.504 60 E N -0.499 119.750 120.200 0.082 0.000 3.285 60 E HA -0.373 3.978 4.350 0.002 0.000 0.364 60 E C 0.350 177.022 176.600 0.121 0.000 1.168 60 E CA 2.132 58.600 56.400 0.115 0.000 1.473 60 E CB -0.454 29.369 29.700 0.205 0.000 1.456 60 E HN 0.687 nan 8.360 nan 0.000 0.376 61 N N -1.029 117.803 118.700 0.220 0.000 2.217 61 N HA 0.125 4.866 4.740 0.002 0.000 0.239 61 N C 0.238 175.931 175.510 0.306 0.000 1.330 61 N CA 0.106 53.277 53.050 0.200 0.000 0.838 61 N CB 0.097 38.647 38.487 0.105 0.000 1.287 61 N HN 0.275 nan 8.380 nan 0.000 0.498 62 c N 0.643 119.390 118.600 0.245 0.000 2.443 62 c HA -0.029 4.542 4.570 0.002 0.000 0.290 62 c C 1.667 175.797 174.090 0.067 0.000 1.476 62 c CA 0.867 57.252 56.329 0.094 0.000 1.772 62 c CB -1.035 41.427 42.510 -0.080 0.000 1.714 62 c HN 0.535 nan 8.230 nan 0.000 0.562 63 D N 0.163 120.608 120.400 0.076 0.000 2.339 63 D HA 0.004 4.646 4.640 0.002 0.000 0.217 63 D C 0.581 176.909 176.300 0.047 0.000 1.050 63 D CA 0.158 54.185 54.000 0.045 0.000 0.856 63 D CB -0.222 40.598 40.800 0.033 0.000 0.922 63 D HN 0.383 nan 8.370 nan 0.000 0.518 64 K N 0.756 121.198 120.400 0.069 0.000 2.187 64 K HA 0.195 4.516 4.320 0.002 0.000 0.247 64 K C 0.791 177.405 176.600 0.024 0.000 1.019 64 K CA -0.230 56.086 56.287 0.049 0.000 0.893 64 K CB 0.642 33.177 32.500 0.058 0.000 1.025 64 K HN 0.145 nan 8.250 nan 0.000 0.500 65 S N 0.378 116.084 115.700 0.009 0.000 2.632 65 S HA 0.129 4.600 4.470 0.002 0.000 0.267 65 S C 1.344 175.886 174.600 -0.096 0.000 1.276 65 S CA -0.663 57.521 58.200 -0.026 0.000 0.998 65 S CB 0.477 63.679 63.200 0.004 0.000 0.953 65 S HN 0.536 nan 8.310 nan 0.000 0.547 66 L N 0.482 121.597 121.223 -0.179 0.000 2.093 66 L HA -0.094 4.247 4.340 0.002 0.000 0.208 66 L C 2.651 179.366 176.870 -0.259 0.000 1.085 66 L CA 1.206 55.817 54.840 -0.382 0.000 0.755 66 L CB -0.832 41.069 42.059 -0.262 0.000 0.904 66 L HN 0.751 nan 8.230 nan 0.000 0.435 67 H N -0.167 118.889 119.070 -0.022 0.000 2.267 67 H HA -0.140 4.417 4.556 0.002 0.000 0.297 67 H C 2.412 177.769 175.328 0.048 0.000 1.080 67 H CA 1.899 57.992 56.048 0.075 0.000 1.278 67 H CB -0.733 29.090 29.762 0.101 0.000 1.365 67 H HN 0.210 nan 8.280 nan 0.000 0.489 68 T N 1.755 116.401 114.554 0.154 0.000 2.597 68 T HA -0.165 4.186 4.350 0.002 0.000 0.267 68 T C 2.516 177.245 174.700 0.049 0.000 1.053 68 T CA 1.573 63.722 62.100 0.082 0.000 1.165 68 T CB -0.583 68.314 68.868 0.049 0.000 0.863 68 T HN 0.136 nan 8.240 nan 0.000 0.427 69 L N -0.386 120.816 121.223 -0.035 0.000 1.994 69 L HA -0.075 4.266 4.340 0.002 0.000 0.208 69 L C 2.423 179.359 176.870 0.110 0.000 1.071 69 L CA 1.404 56.220 54.840 -0.040 0.000 0.745 69 L CB -0.560 41.413 42.059 -0.144 0.000 0.892 69 L HN 0.224 nan 8.230 nan 0.000 0.431 70 F N -0.146 119.931 119.950 0.211 0.000 2.325 70 F HA 0.012 4.540 4.527 0.002 0.000 0.299 70 F C 2.444 178.275 175.800 0.053 0.000 1.090 70 F CA 0.630 58.775 58.000 0.243 0.000 1.392 70 F CB -1.729 37.500 39.000 0.381 0.000 1.053 70 F HN -0.014 nan 8.300 nan 0.000 0.521 71 G N 0.058 108.997 108.800 0.231 0.000 2.421 71 G HA2 -0.232 3.729 3.960 0.002 0.000 0.216 71 G HA3 -0.232 3.729 3.960 0.002 0.000 0.216 71 G C 1.436 176.407 174.900 0.119 0.000 1.171 71 G CA 1.099 46.309 45.100 0.183 0.000 0.775 71 G HN 0.209 nan 8.290 nan 0.000 0.543 72 D N 0.486 120.942 120.400 0.093 0.000 2.097 72 D HA -0.044 4.597 4.640 0.002 0.000 0.195 72 D C 2.517 178.833 176.300 0.027 0.000 0.989 72 D CA 0.669 54.698 54.000 0.048 0.000 0.827 72 D CB -0.101 40.716 40.800 0.029 0.000 0.966 72 D HN 0.106 nan 8.370 nan 0.000 0.456 73 K N 0.508 120.938 120.400 0.051 0.000 2.032 73 K HA -0.092 4.229 4.320 0.002 0.000 0.209 73 K C 2.391 178.920 176.600 -0.119 0.000 1.048 73 K CA 0.437 56.733 56.287 0.015 0.000 0.927 73 K CB -0.590 31.997 32.500 0.146 0.000 0.712 73 K HN 0.243 nan 8.250 nan 0.000 0.441 74 L N 0.290 121.376 121.223 -0.229 0.000 2.012 74 L HA -0.244 4.097 4.340 0.002 0.000 0.210 74 L C 2.560 179.378 176.870 -0.087 0.000 1.073 74 L CA 1.092 55.761 54.840 -0.286 0.000 0.748 74 L CB -0.446 41.372 42.059 -0.400 0.000 0.891 74 L HN 0.187 nan 8.230 nan 0.000 0.431 75 c N -0.461 118.139 118.600 -0.000 0.000 2.466 75 c HA -0.081 4.490 4.570 0.002 0.000 0.283 75 c C 2.698 176.784 174.090 -0.007 0.000 1.472 75 c CA 1.199 57.545 56.329 0.028 0.000 1.765 75 c CB -1.443 41.091 42.510 0.040 0.000 1.724 75 c HN 0.645 nan 8.230 nan 0.000 0.560 76 T N -1.973 112.567 114.554 -0.023 0.000 3.129 76 T HA 0.067 4.418 4.350 0.002 0.000 0.251 76 T C 0.803 175.484 174.700 -0.031 0.000 1.117 76 T CA 1.212 63.297 62.100 -0.024 0.000 1.034 76 T CB -0.214 68.641 68.868 -0.022 0.000 0.968 76 T HN 0.536 nan 8.240 nan 0.000 0.526 77 V N -2.719 117.172 119.914 -0.040 0.000 3.070 77 V HA 0.851 4.972 4.120 0.002 0.000 0.355 77 V C 1.338 177.413 176.094 -0.031 0.000 1.400 77 V CA -0.785 61.488 62.300 -0.045 0.000 1.170 77 V CB -0.822 30.958 31.823 -0.072 0.000 1.169 77 V HN 0.402 nan 8.190 nan 0.000 0.554 78 A N 1.737 124.550 122.820 -0.012 0.000 3.154 78 A HA 0.432 4.753 4.320 0.002 0.000 0.157 78 A C 1.659 179.245 177.584 0.003 0.000 0.966 78 A CA 3.147 55.190 52.037 0.009 0.000 1.076 78 A CB -1.020 17.987 19.000 0.012 0.000 0.868 78 A HN 1.998 nan 8.150 nan 0.000 0.549 79 T N -5.168 109.386 114.554 0.001 0.000 5.061 79 T HA 0.508 4.859 4.350 0.002 0.000 0.292 79 T C 1.578 176.277 174.700 -0.002 0.000 1.334 79 T CA 1.353 63.452 62.100 -0.001 0.000 0.920 79 T CB -1.722 67.150 68.868 0.007 0.000 0.728 79 T HN 2.334 nan 8.240 nan 0.000 0.509 80 L N -0.454 120.765 121.223 -0.007 0.000 4.560 80 L HA 0.152 4.493 4.340 0.002 0.000 0.415 80 L C 0.905 177.777 176.870 0.003 0.000 1.123 80 L CA 2.396 57.228 54.840 -0.012 0.000 0.991 80 L CB -2.911 39.140 42.059 -0.014 0.000 2.127 80 L HN 2.044 nan 8.230 nan 0.000 0.765 81 R N -1.341 119.169 120.500 0.017 0.000 3.340 81 R HA -0.032 4.309 4.340 0.002 0.000 0.649 81 R C 1.192 177.509 176.300 0.029 0.000 0.241 81 R CA 2.750 58.872 56.100 0.036 0.000 1.993 81 R CB -0.707 29.635 30.300 0.069 0.000 0.816 81 R HN 2.003 nan 8.270 nan 0.000 0.640 82 E N -4.152 116.069 120.200 0.035 0.000 1.964 82 E HA 0.135 4.486 4.350 0.002 0.000 0.242 82 E C -0.469 176.142 176.600 0.018 0.000 1.079 82 E CA 1.024 57.437 56.400 0.021 0.000 1.600 82 E CB -0.115 29.593 29.700 0.013 0.000 3.831 82 E HN 0.875 nan 8.360 nan 0.000 0.963 83 T N -0.287 114.279 114.554 0.020 0.000 3.145 83 T HA 0.580 4.931 4.350 0.002 0.000 0.348 83 T C -0.150 174.553 174.700 0.006 0.000 1.299 83 T CA 0.111 62.216 62.100 0.008 0.000 1.037 83 T CB -0.465 68.406 68.868 0.005 0.000 1.122 83 T HN 0.634 nan 8.240 nan 0.000 0.600 84 Y N -0.156 120.136 120.300 -0.014 0.000 2.863 84 Y HA 0.568 5.119 4.550 0.002 0.000 0.254 84 Y C 1.446 177.273 175.900 -0.121 0.000 1.124 84 Y CA -0.016 58.039 58.100 -0.075 0.000 1.203 84 Y CB -0.389 38.035 38.460 -0.060 0.000 1.269 84 Y HN 1.585 nan 8.280 nan 0.000 0.586 85 G N 0.009 108.768 108.800 -0.068 0.000 4.315 85 G HA2 0.300 4.261 3.960 0.002 0.000 0.280 85 G HA3 0.300 4.261 3.960 0.002 0.000 0.280 85 G C 0.164 175.037 174.900 -0.045 0.000 1.649 85 G CA 0.958 46.019 45.100 -0.064 0.000 1.108 85 G HN 2.048 nan 8.290 nan 0.000 0.667 86 E N -1.311 118.858 120.200 -0.051 0.000 2.761 86 E HA 0.849 5.200 4.350 0.002 0.000 0.266 86 E C -0.021 176.576 176.600 -0.005 0.000 1.097 86 E CA 0.994 57.380 56.400 -0.023 0.000 0.773 86 E CB 0.178 29.865 29.700 -0.022 0.000 1.453 86 E HN 2.330 nan 8.360 nan 0.000 0.388 87 M N 0.197 119.815 119.600 0.031 0.000 2.662 87 M HA 0.999 5.480 4.480 0.002 0.000 0.310 87 M C 0.215 176.571 176.300 0.093 0.000 1.204 87 M CA -0.381 54.993 55.300 0.124 0.000 0.891 87 M CB 1.081 33.859 32.600 0.297 0.000 1.732 87 M HN 1.559 nan 8.290 nan 0.000 0.467 88 A N 0.104 122.975 122.820 0.085 0.000 2.282 88 A HA 0.774 5.095 4.320 0.002 0.000 0.324 88 A C -0.649 176.895 177.584 -0.068 0.000 1.119 88 A CA -0.404 51.631 52.037 -0.004 0.000 0.880 88 A CB 0.715 19.696 19.000 -0.031 0.000 1.294 88 A HN 1.012 nan 8.150 nan 0.000 0.493 89 D N -0.271 120.071 120.400 -0.097 0.000 2.316 89 D HA 0.296 4.937 4.640 0.002 0.000 0.245 89 D C 0.897 177.058 176.300 -0.232 0.000 1.171 89 D CA -0.394 53.520 54.000 -0.144 0.000 0.856 89 D CB 0.809 41.551 40.800 -0.097 0.000 1.090 89 D HN 0.348 nan 8.370 nan 0.000 0.476 90 c N 2.330 120.708 118.600 -0.370 0.000 2.446 90 c HA -0.103 4.468 4.570 0.002 0.000 0.277 90 c C 2.789 176.606 174.090 -0.455 0.000 1.275 90 c CA -0.018 55.981 56.329 -0.549 0.000 1.727 90 c CB -0.760 41.150 42.510 -1.001 0.000 2.010 90 c HN 0.749 nan 8.230 nan 0.000 0.486 91 c N 1.412 119.815 118.600 -0.328 0.000 2.460 91 c HA 0.090 4.661 4.570 0.002 0.000 0.291 91 c C 2.470 176.479 174.090 -0.136 0.000 1.493 91 c CA 1.083 57.302 56.329 -0.183 0.000 1.748 91 c CB -1.957 40.506 42.510 -0.078 0.000 1.656 91 c HN 0.702 nan 8.230 nan 0.000 0.576 92 A N -0.676 122.055 122.820 -0.149 0.000 2.387 92 A HA 0.226 4.547 4.320 0.002 0.000 0.234 92 A C 0.759 178.278 177.584 -0.109 0.000 1.253 92 A CA 0.102 52.076 52.037 -0.106 0.000 0.894 92 A CB 0.027 18.974 19.000 -0.089 0.000 0.963 92 A HN 0.619 nan 8.150 nan 0.000 0.508 93 K N -0.337 119.976 120.400 -0.146 0.000 2.288 93 K HA 0.527 4.848 4.320 0.002 0.000 0.234 93 K C -0.576 175.961 176.600 -0.105 0.000 1.037 93 K CA -0.782 55.427 56.287 -0.131 0.000 0.914 93 K CB 0.719 33.116 32.500 -0.173 0.000 1.197 93 K HN 0.109 nan 8.250 nan 0.000 0.471 94 Q N 1.337 121.087 119.800 -0.082 0.000 2.345 94 Q HA 0.190 4.531 4.340 0.002 0.000 0.268 94 Q C -0.697 175.272 176.000 -0.051 0.000 1.054 94 Q CA -0.648 55.122 55.803 -0.055 0.000 0.835 94 Q CB 1.939 30.657 28.738 -0.034 0.000 1.339 94 Q HN 0.454 nan 8.270 nan 0.000 0.447 95 E N 2.045 122.229 120.200 -0.027 0.000 2.436 95 E HA 0.026 4.377 4.350 0.002 0.000 0.262 95 E C -1.658 174.945 176.600 0.005 0.000 1.063 95 E CA -1.211 55.184 56.400 -0.009 0.000 0.944 95 E CB 0.235 29.959 29.700 0.040 0.000 0.950 95 E HN 0.322 nan 8.360 nan 0.000 0.444 96 P HA 0.103 nan 4.420 nan 0.000 0.257 96 P C 0.401 177.675 177.300 -0.042 0.000 1.281 96 P CA 0.216 63.318 63.100 0.003 0.000 0.826 96 P CB 0.436 32.169 31.700 0.055 0.000 1.237 97 E N 0.158 120.326 120.200 -0.054 0.000 2.110 97 E HA -0.152 4.199 4.350 0.002 0.000 0.193 97 E C 2.124 178.626 176.600 -0.162 0.000 0.988 97 E CA 0.912 57.261 56.400 -0.084 0.000 0.804 97 E CB -0.336 29.319 29.700 -0.075 0.000 0.745 97 E HN 0.143 nan 8.360 nan 0.000 0.458 98 R N 0.648 121.032 120.500 -0.193 0.000 2.083 98 R HA -0.208 4.133 4.340 0.002 0.000 0.237 98 R C 2.088 178.136 176.300 -0.421 0.000 1.137 98 R CA 1.906 57.798 56.100 -0.346 0.000 0.951 98 R CB -0.242 29.901 30.300 -0.262 0.000 0.851 98 R HN 0.119 nan 8.270 nan 0.000 0.434 99 N N 0.263 118.831 118.700 -0.219 0.000 2.166 99 N HA -0.176 4.565 4.740 0.002 0.000 0.186 99 N C 1.405 176.825 175.510 -0.150 0.000 1.019 99 N CA 1.712 54.658 53.050 -0.174 0.000 0.856 99 N CB 0.054 38.305 38.487 -0.395 0.000 0.993 99 N HN 0.340 nan 8.380 nan 0.000 0.426 100 E N -0.364 119.765 120.200 -0.119 0.000 2.058 100 E HA -0.239 4.112 4.350 0.002 0.000 0.194 100 E C 2.119 178.681 176.600 -0.063 0.000 0.997 100 E CA 1.278 57.649 56.400 -0.048 0.000 0.801 100 E CB -0.345 29.343 29.700 -0.019 0.000 0.746 100 E HN 0.477 nan 8.360 nan 0.000 0.450 101 c N 0.265 118.760 118.600 -0.175 0.000 2.413 101 c HA -0.181 4.390 4.570 0.002 0.000 0.276 101 c C 2.408 176.381 174.090 -0.195 0.000 1.236 101 c CA 0.615 56.806 56.329 -0.229 0.000 1.735 101 c CB -1.240 41.019 42.510 -0.419 0.000 2.031 101 c HN 0.361 nan 8.230 nan 0.000 0.474 102 F N 1.304 121.103 119.950 -0.252 0.000 2.087 102 F HA -0.142 4.386 4.527 0.002 0.000 0.299 102 F C 2.196 177.995 175.800 -0.001 0.000 1.100 102 F CA 1.879 59.708 58.000 -0.285 0.000 1.226 102 F CB -1.142 37.398 39.000 -0.765 0.000 0.983 102 F HN 0.212 nan 8.300 nan 0.000 0.479 103 L N -0.359 121.001 121.223 0.229 0.000 2.056 103 L HA -0.215 4.126 4.340 0.002 0.000 0.207 103 L C 2.470 179.463 176.870 0.206 0.000 1.078 103 L CA 1.552 56.533 54.840 0.236 0.000 0.749 103 L CB -0.943 41.169 42.059 0.088 0.000 0.901 103 L HN 0.273 nan 8.230 nan 0.000 0.433 104 Q N -1.237 118.678 119.800 0.193 0.000 2.472 104 Q HA -0.157 4.184 4.340 0.002 0.000 0.208 104 Q C 1.076 177.207 176.000 0.218 0.000 0.958 104 Q CA 1.050 56.966 55.803 0.189 0.000 0.932 104 Q CB -0.238 28.592 28.738 0.153 0.000 1.007 104 Q HN 0.507 nan 8.270 nan 0.000 0.508 105 H N 0.659 119.782 119.070 0.090 0.000 2.551 105 H HA 0.288 4.845 4.556 0.002 0.000 0.271 105 H C -0.334 175.049 175.328 0.091 0.000 0.984 105 H CA -0.198 55.900 56.048 0.084 0.000 1.164 105 H CB 0.466 30.280 29.762 0.088 0.000 1.437 105 H HN 0.095 nan 8.280 nan 0.000 0.550 106 K N 1.632 122.142 120.400 0.183 0.000 2.447 106 K HA -0.032 4.289 4.320 0.002 0.000 0.281 106 K C -0.432 176.219 176.600 0.086 0.000 1.031 106 K CA 0.168 56.505 56.287 0.084 0.000 1.019 106 K CB 0.359 32.831 32.500 -0.046 0.000 0.918 106 K HN 0.136 nan 8.250 nan 0.000 0.476 107 D N 2.613 123.042 120.400 0.049 0.000 2.329 107 D HA 0.068 4.709 4.640 0.002 0.000 0.232 107 D C 0.231 176.556 176.300 0.041 0.000 1.088 107 D CA -0.313 53.709 54.000 0.036 0.000 0.835 107 D CB 1.006 41.812 40.800 0.009 0.000 1.078 107 D HN 0.381 nan 8.370 nan 0.000 0.495 108 D N 2.194 122.635 120.400 0.069 0.000 2.312 108 D HA -0.106 4.535 4.640 0.002 0.000 0.211 108 D C 0.211 176.507 176.300 -0.007 0.000 0.964 108 D CA 0.682 54.723 54.000 0.068 0.000 0.877 108 D CB 0.414 41.255 40.800 0.068 0.000 0.924 108 D HN 0.349 nan 8.370 nan 0.000 0.515 109 N N 0.691 119.378 118.700 -0.021 0.000 2.733 109 N HA 0.143 4.884 4.740 0.002 0.000 0.271 109 N C -2.913 172.569 175.510 -0.047 0.000 1.720 109 N CA -1.244 51.779 53.050 -0.046 0.000 0.803 109 N CB 1.304 39.769 38.487 -0.036 0.000 1.208 109 N HN -0.178 nan 8.380 nan 0.000 0.498 110 P HA 0.194 nan 4.420 nan 0.000 0.271 110 P C -0.538 176.732 177.300 -0.050 0.000 1.216 110 P CA -0.191 62.880 63.100 -0.050 0.000 0.776 110 P CB 0.490 32.152 31.700 -0.062 0.000 0.881 111 N N 2.138 120.817 118.700 -0.035 0.000 2.971 111 N HA 0.156 4.897 4.740 0.002 0.000 0.294 111 N C -0.579 174.912 175.510 -0.032 0.000 1.210 111 N CA 0.313 53.344 53.050 -0.032 0.000 1.157 111 N CB -0.761 37.712 38.487 -0.023 0.000 1.450 111 N HN 0.321 nan 8.380 nan 0.000 0.527 112 L N 1.062 122.258 121.223 -0.045 0.000 2.346 112 L HA 0.599 4.940 4.340 0.002 0.000 0.274 112 L C -1.826 175.019 176.870 -0.042 0.000 1.007 112 L CA -2.106 52.707 54.840 -0.045 0.000 0.818 112 L CB 1.300 43.319 42.059 -0.067 0.000 1.284 112 L HN 0.132 nan 8.230 nan 0.000 0.424 113 P HA 0.171 nan 4.420 nan 0.000 0.268 113 P C -0.686 176.597 177.300 -0.028 0.000 1.205 113 P CA -0.553 62.533 63.100 -0.024 0.000 0.771 113 P CB 0.471 32.163 31.700 -0.014 0.000 0.858 114 R N 2.063 122.549 120.500 -0.022 0.000 2.522 114 R HA 0.131 4.472 4.340 0.002 0.000 0.284 114 R C -0.450 175.842 176.300 -0.012 0.000 1.032 114 R CA -0.082 56.007 56.100 -0.018 0.000 1.049 114 R CB -0.297 29.997 30.300 -0.009 0.000 0.956 114 R HN 0.290 nan 8.270 nan 0.000 0.422 115 L N 5.310 126.525 121.223 -0.015 0.000 2.325 115 L HA 0.209 4.550 4.340 0.002 0.000 0.284 115 L C -0.393 176.483 176.870 0.010 0.000 1.089 115 L CA 0.189 55.024 54.840 -0.009 0.000 0.836 115 L CB 1.077 43.120 42.059 -0.026 0.000 1.184 115 L HN 0.395 nan 8.230 nan 0.000 0.444 116 V N 6.454 126.377 119.914 0.016 0.000 2.407 116 V HA 0.505 4.626 4.120 0.002 0.000 0.278 116 V C 0.239 176.358 176.094 0.042 0.000 1.037 116 V CA -0.773 61.544 62.300 0.028 0.000 0.900 116 V CB 1.070 32.907 31.823 0.024 0.000 0.983 116 V HN 0.896 nan 8.190 nan 0.000 0.459 117 R N 6.128 126.664 120.500 0.058 0.000 2.308 117 R HA 0.633 4.974 4.340 0.002 0.000 0.305 117 R C -2.487 173.861 176.300 0.081 0.000 1.053 117 R CA -1.392 54.759 56.100 0.085 0.000 0.957 117 R CB 0.208 30.579 30.300 0.118 0.000 1.022 117 R HN 0.532 nan 8.270 nan 0.000 0.461 118 P HA -0.049 nan 4.420 nan 0.000 0.272 118 P C -0.788 176.559 177.300 0.078 0.000 1.254 118 P CA -0.513 62.638 63.100 0.084 0.000 0.795 118 P CB 0.369 32.130 31.700 0.102 0.000 1.022 119 E N -0.643 119.594 120.200 0.061 0.000 2.442 119 E HA -0.015 4.336 4.350 0.002 0.000 0.262 119 E C 0.519 177.152 176.600 0.054 0.000 1.004 119 E CA -0.555 55.873 56.400 0.047 0.000 0.928 119 E CB 0.221 29.943 29.700 0.037 0.000 0.937 119 E HN 0.030 nan 8.360 nan 0.000 0.446 120 V N 2.469 122.401 119.914 0.029 0.000 2.453 120 V HA -0.290 3.831 4.120 0.002 0.000 0.252 120 V C 1.643 177.751 176.094 0.024 0.000 1.068 120 V CA 2.273 64.579 62.300 0.010 0.000 1.070 120 V CB -0.698 31.103 31.823 -0.038 0.000 0.664 120 V HN 0.750 nan 8.190 nan 0.000 0.461 121 D N -0.327 120.090 120.400 0.028 0.000 2.117 121 D HA -0.114 4.527 4.640 0.002 0.000 0.197 121 D C 2.147 178.479 176.300 0.055 0.000 0.987 121 D CA 1.098 55.120 54.000 0.036 0.000 0.829 121 D CB -0.140 40.678 40.800 0.030 0.000 0.961 121 D HN 0.288 nan 8.370 nan 0.000 0.460 122 V N 0.631 120.585 119.914 0.066 0.000 2.307 122 V HA -0.247 3.874 4.120 0.002 0.000 0.245 122 V C 2.528 178.685 176.094 0.106 0.000 1.045 122 V CA 1.346 63.695 62.300 0.080 0.000 1.024 122 V CB -0.332 31.542 31.823 0.085 0.000 0.651 122 V HN 0.232 nan 8.190 nan 0.000 0.449 123 M N -1.144 118.549 119.600 0.156 0.000 2.073 123 M HA -0.270 4.211 4.480 0.002 0.000 0.258 123 M C 2.441 178.766 176.300 0.042 0.000 1.070 123 M CA 2.203 57.645 55.300 0.237 0.000 1.103 123 M CB -0.880 31.986 32.600 0.442 0.000 1.321 123 M HN 0.407 nan 8.290 nan 0.000 0.405 124 c N 0.184 118.830 118.600 0.078 0.000 2.413 124 c HA -0.143 4.428 4.570 0.002 0.000 0.276 124 c C 2.909 176.985 174.090 -0.022 0.000 1.248 124 c CA 1.548 57.882 56.329 0.008 0.000 1.742 124 c CB -1.161 41.370 42.510 0.035 0.000 2.017 124 c HN 0.594 nan 8.230 nan 0.000 0.481 125 T N 0.963 115.537 114.554 0.033 0.000 2.821 125 T HA -0.098 4.253 4.350 0.002 0.000 0.267 125 T C 2.095 176.792 174.700 -0.006 0.000 1.046 125 T CA 1.538 63.669 62.100 0.051 0.000 1.139 125 T CB -0.375 68.525 68.868 0.054 0.000 0.871 125 T HN 0.647 nan 8.240 nan 0.000 0.454 126 A N 1.109 123.904 122.820 -0.042 0.000 1.930 126 A HA -0.001 4.320 4.320 0.002 0.000 0.217 126 A C 2.000 179.436 177.584 -0.246 0.000 1.175 126 A CA 1.224 53.231 52.037 -0.050 0.000 0.627 126 A CB -0.905 18.158 19.000 0.104 0.000 0.815 126 A HN 0.499 nan 8.150 nan 0.000 0.443 127 F N 0.035 119.501 119.950 -0.807 0.000 2.186 127 F HA -0.152 4.377 4.527 0.002 0.000 0.299 127 F C 2.257 177.782 175.800 -0.459 0.000 1.090 127 F CA 1.968 59.361 58.000 -1.012 0.000 1.307 127 F CB -0.210 38.005 39.000 -1.308 0.000 1.019 127 F HN 0.347 nan 8.300 nan 0.000 0.489 128 H N -0.859 118.015 119.070 -0.326 0.000 2.482 128 H HA -0.024 4.533 4.556 0.002 0.000 0.286 128 H C 1.758 176.946 175.328 -0.232 0.000 1.017 128 H CA 1.205 57.055 56.048 -0.330 0.000 1.322 128 H CB -0.463 29.227 29.762 -0.122 0.000 1.426 128 H HN 0.343 nan 8.280 nan 0.000 0.546 129 D N 0.799 121.167 120.400 -0.054 0.000 2.075 129 D HA -0.134 4.507 4.640 0.002 0.000 0.196 129 D C 0.513 176.782 176.300 -0.051 0.000 0.985 129 D CA 0.980 54.959 54.000 -0.034 0.000 0.834 129 D CB 0.055 40.852 40.800 -0.005 0.000 0.987 129 D HN 0.084 nan 8.370 nan 0.000 0.452 130 N N 0.183 118.850 118.700 -0.055 0.000 2.648 130 N HA 0.029 4.770 4.740 0.002 0.000 0.261 130 N C 0.061 175.555 175.510 -0.026 0.000 1.138 130 N CA -0.150 52.888 53.050 -0.020 0.000 0.804 130 N CB 1.160 39.672 38.487 0.041 0.000 1.237 130 N HN 0.175 nan 8.380 nan 0.000 0.532 131 E N 1.597 121.721 120.200 -0.126 0.000 2.106 131 E HA -0.152 4.199 4.350 0.002 0.000 0.192 131 E C 0.330 176.959 176.600 0.048 0.000 0.984 131 E CA 1.330 57.626 56.400 -0.173 0.000 0.806 131 E CB 0.440 29.929 29.700 -0.351 0.000 0.750 131 E HN 0.421 nan 8.360 nan 0.000 0.458 132 E N -0.128 120.099 120.200 0.045 0.000 2.077 132 E HA -0.119 4.232 4.350 0.002 0.000 0.193 132 E C 2.020 178.705 176.600 0.142 0.000 0.989 132 E CA 1.795 58.247 56.400 0.087 0.000 0.800 132 E CB -0.330 29.407 29.700 0.062 0.000 0.746 132 E HN 0.179 nan 8.360 nan 0.000 0.452 133 T N 0.225 114.871 114.554 0.153 0.000 2.942 133 T HA -0.036 4.315 4.350 0.002 0.000 0.265 133 T C 1.438 176.242 174.700 0.174 0.000 1.062 133 T CA 0.526 62.749 62.100 0.204 0.000 1.139 133 T CB -0.311 68.670 68.868 0.189 0.000 0.883 133 T HN 0.118 nan 8.240 nan 0.000 0.468 134 F N 1.748 121.716 119.950 0.030 0.000 2.134 134 F HA 0.040 4.568 4.527 0.002 0.000 0.299 134 F C 1.798 177.629 175.800 0.052 0.000 1.097 134 F CA 1.139 59.144 58.000 0.009 0.000 1.264 134 F CB -0.314 38.695 39.000 0.015 0.000 1.001 134 F HN 0.037 nan 8.300 nan 0.000 0.479 135 L N -0.180 121.178 121.223 0.224 0.000 2.156 135 L HA -0.166 4.175 4.340 0.002 0.000 0.208 135 L C 2.269 179.211 176.870 0.120 0.000 1.095 135 L CA 1.181 56.120 54.840 0.164 0.000 0.770 135 L CB -0.581 41.604 42.059 0.210 0.000 0.914 135 L HN 0.050 nan 8.230 nan 0.000 0.439 136 K N 0.168 120.656 120.400 0.147 0.000 2.155 136 K HA -0.122 4.199 4.320 0.002 0.000 0.203 136 K C 2.088 178.818 176.600 0.216 0.000 1.052 136 K CA 0.933 57.353 56.287 0.221 0.000 0.948 136 K CB 0.044 32.749 32.500 0.342 0.000 0.728 136 K HN 0.187 nan 8.250 nan 0.000 0.448 137 K N -0.053 120.302 120.400 -0.074 0.000 2.097 137 K HA -0.187 4.134 4.320 0.002 0.000 0.206 137 K C 1.983 178.485 176.600 -0.163 0.000 1.049 137 K CA 1.304 57.385 56.287 -0.343 0.000 0.933 137 K CB -0.174 31.963 32.500 -0.605 0.000 0.717 137 K HN 0.150 nan 8.250 nan 0.000 0.442 138 Y N 1.695 121.799 120.300 -0.326 0.000 2.097 138 Y HA -0.244 4.307 4.550 0.002 0.000 0.282 138 Y C 1.746 177.471 175.900 -0.291 0.000 1.152 138 Y CA 1.495 59.347 58.100 -0.413 0.000 1.136 138 Y CB -0.316 37.773 38.460 -0.618 0.000 0.975 138 Y HN -0.075 nan 8.280 nan 0.000 0.498 139 L N -0.918 120.214 121.223 -0.153 0.000 2.042 139 L HA -0.275 4.066 4.340 0.002 0.000 0.210 139 L C 2.443 179.207 176.870 -0.177 0.000 1.076 139 L CA 2.072 56.792 54.840 -0.201 0.000 0.749 139 L CB -0.937 41.108 42.059 -0.025 0.000 0.893 139 L HN 0.410 nan 8.230 nan 0.000 0.432 140 Y N 0.751 120.970 120.300 -0.135 0.000 2.220 140 Y HA -0.178 4.373 4.550 0.002 0.000 0.291 140 Y C 2.542 178.376 175.900 -0.110 0.000 1.129 140 Y CA 1.369 59.442 58.100 -0.044 0.000 1.161 140 Y CB -0.023 38.560 38.460 0.205 0.000 0.997 140 Y HN 0.112 nan 8.280 nan 0.000 0.522 141 E N 0.378 120.388 120.200 -0.317 0.000 2.152 141 E HA -0.135 4.216 4.350 0.002 0.000 0.192 141 E C 2.291 178.671 176.600 -0.367 0.000 0.983 141 E CA 1.061 57.218 56.400 -0.405 0.000 0.818 141 E CB -0.054 29.489 29.700 -0.261 0.000 0.758 141 E HN 0.532 nan 8.360 nan 0.000 0.467 142 I N 1.035 121.342 120.570 -0.438 0.000 2.233 142 I HA -0.149 4.022 4.170 0.002 0.000 0.243 142 I C 2.469 178.420 176.117 -0.277 0.000 1.093 142 I CA 0.972 62.017 61.300 -0.425 0.000 1.380 142 I CB -1.267 36.258 38.000 -0.792 0.000 1.067 142 I HN -0.053 nan 8.210 nan 0.000 0.413 143 A N 1.931 124.551 122.820 -0.333 0.000 1.933 143 A HA -0.212 4.109 4.320 0.002 0.000 0.218 143 A C 2.427 179.903 177.584 -0.181 0.000 1.175 143 A CA 1.769 53.666 52.037 -0.234 0.000 0.628 143 A CB -0.651 18.216 19.000 -0.221 0.000 0.814 143 A HN 0.535 nan 8.150 nan 0.000 0.444 144 R N -0.806 119.540 120.500 -0.256 0.000 2.193 144 R HA 0.057 4.398 4.340 0.002 0.000 0.213 144 R C 1.671 177.857 176.300 -0.190 0.000 1.055 144 R CA 1.116 57.077 56.100 -0.232 0.000 0.995 144 R CB -0.278 29.822 30.300 -0.333 0.000 0.893 144 R HN 0.437 nan 8.270 nan 0.000 0.459 145 R N -0.234 120.152 120.500 -0.190 0.000 2.254 145 R HA 0.075 4.416 4.340 0.002 0.000 0.195 145 R C -0.189 175.844 176.300 -0.444 0.000 0.957 145 R CA 0.506 56.445 56.100 -0.269 0.000 1.024 145 R CB 0.276 30.421 30.300 -0.258 0.000 0.952 145 R HN 0.366 nan 8.270 nan 0.000 0.484 146 H N -0.787 118.253 119.070 -0.050 0.000 2.448 146 H HA 0.191 4.748 4.556 0.002 0.000 0.237 146 H C -2.109 173.248 175.328 0.048 0.000 1.391 146 H CA -1.807 54.277 56.048 0.060 0.000 1.477 146 H CB 1.330 31.204 29.762 0.187 0.000 1.520 146 H HN -0.060 nan 8.280 nan 0.000 0.502 147 P HA -0.139 nan 4.420 nan 0.000 0.225 147 P C 0.179 177.283 177.300 -0.327 0.000 1.148 147 P CA 1.211 64.194 63.100 -0.195 0.000 0.779 147 P CB 0.121 31.636 31.700 -0.308 0.000 0.780 148 Y N -3.136 117.212 120.300 0.080 0.000 2.485 148 Y HA 0.280 4.831 4.550 0.002 0.000 0.260 148 Y C 0.920 176.899 175.900 0.132 0.000 1.173 148 Y CA -1.003 57.143 58.100 0.077 0.000 1.252 148 Y CB -0.711 37.770 38.460 0.036 0.000 1.123 148 Y HN -0.191 nan 8.280 nan 0.000 0.524 149 F N 1.051 121.087 119.950 0.144 0.000 2.635 149 F HA -0.182 4.346 4.527 0.002 0.000 0.379 149 F C 0.524 176.439 175.800 0.192 0.000 1.094 149 F CA -0.351 57.719 58.000 0.118 0.000 1.300 149 F CB 0.270 39.276 39.000 0.010 0.000 1.035 149 F HN 0.067 nan 8.300 nan 0.000 0.581 150 Y N 6.998 127.330 120.300 0.052 0.000 2.697 150 Y HA 0.232 4.782 4.550 0.002 0.000 0.349 150 Y C 0.967 177.041 175.900 0.290 0.000 1.120 150 Y CA -0.785 57.406 58.100 0.153 0.000 1.468 150 Y CB 0.155 38.672 38.460 0.094 0.000 1.182 150 Y HN 0.733 nan 8.280 nan 0.000 0.525 151 A N 7.699 130.669 122.820 0.249 0.000 1.884 151 A HA -0.180 4.141 4.320 0.002 0.000 0.219 151 A C -0.411 177.165 177.584 -0.013 0.000 1.197 151 A CA 1.855 53.946 52.037 0.090 0.000 0.637 151 A CB -1.705 17.310 19.000 0.026 0.000 0.827 151 A HN 0.646 nan 8.150 nan 0.000 0.450 152 P HA -0.062 nan 4.420 nan 0.000 0.223 152 P C 1.189 178.451 177.300 -0.062 0.000 1.151 152 P CA 0.860 63.858 63.100 -0.170 0.000 0.787 152 P CB 0.053 31.577 31.700 -0.294 0.000 0.788 153 E N -0.632 119.536 120.200 -0.053 0.000 2.158 153 E HA -0.072 4.279 4.350 0.002 0.000 0.191 153 E C 1.799 178.772 176.600 0.621 0.000 0.982 153 E CA 0.558 57.129 56.400 0.285 0.000 0.823 153 E CB -0.764 29.175 29.700 0.397 0.000 0.766 153 E HN 0.147 nan 8.360 nan 0.000 0.468 154 L N 1.242 122.797 121.223 0.553 0.000 2.079 154 L HA -0.147 4.194 4.340 0.002 0.000 0.210 154 L C 2.159 179.202 176.870 0.289 0.000 1.081 154 L CA 1.330 56.396 54.840 0.376 0.000 0.752 154 L CB -0.631 41.423 42.059 -0.010 0.000 0.896 154 L HN 0.087 nan 8.230 nan 0.000 0.433 155 L N -1.972 119.374 121.223 0.206 0.000 2.079 155 L HA -0.251 4.090 4.340 0.002 0.000 0.210 155 L C 2.480 179.472 176.870 0.202 0.000 1.081 155 L CA 1.531 56.465 54.840 0.156 0.000 0.752 155 L CB -0.815 41.302 42.059 0.096 0.000 0.896 155 L HN 0.298 nan 8.230 nan 0.000 0.433 156 F N 0.376 120.367 119.950 0.069 0.000 2.146 156 F HA -0.164 4.364 4.527 0.001 0.000 0.298 156 F C 2.172 177.938 175.800 -0.057 0.000 1.096 156 F CA 1.107 59.081 58.000 -0.043 0.000 1.275 156 F CB -0.342 38.571 39.000 -0.146 0.000 1.008 156 F HN -0.154 nan 8.300 nan 0.000 0.480 157 F N 0.538 120.523 119.950 0.059 0.000 2.095 157 F HA -0.160 4.368 4.527 0.001 0.000 0.298 157 F C 2.644 178.431 175.800 -0.023 0.000 1.104 157 F CA 1.644 59.649 58.000 0.009 0.000 1.232 157 F CB -1.327 37.785 39.000 0.187 0.000 0.987 157 F HN 0.033 nan 8.300 nan 0.000 0.475 158 A N -0.436 122.538 122.820 0.256 0.000 1.972 158 A HA -0.221 4.100 4.320 0.002 0.000 0.219 158 A C 2.192 179.789 177.584 0.022 0.000 1.169 158 A CA 1.769 53.865 52.037 0.098 0.000 0.635 158 A CB -0.743 18.380 19.000 0.204 0.000 0.810 158 A HN 0.392 nan 8.150 nan 0.000 0.446 159 K N -0.420 119.970 120.400 -0.018 0.000 2.097 159 K HA -0.094 4.227 4.320 0.002 0.000 0.205 159 K C 2.210 178.733 176.600 -0.128 0.000 1.050 159 K CA 1.192 57.443 56.287 -0.060 0.000 0.938 159 K CB -0.165 32.296 32.500 -0.066 0.000 0.718 159 K HN 0.412 nan 8.250 nan 0.000 0.442 160 R N -0.826 119.523 120.500 -0.252 0.000 2.090 160 R HA -0.136 4.205 4.340 0.002 0.000 0.228 160 R C 2.239 178.487 176.300 -0.087 0.000 1.110 160 R CA 1.416 57.373 56.100 -0.237 0.000 0.973 160 R CB -0.346 29.720 30.300 -0.390 0.000 0.869 160 R HN 0.301 nan 8.270 nan 0.000 0.440 161 Y N 1.960 122.141 120.300 -0.197 0.000 2.145 161 Y HA -0.278 4.273 4.550 0.002 0.000 0.286 161 Y C 2.389 178.234 175.900 -0.091 0.000 1.145 161 Y CA 1.817 59.794 58.100 -0.205 0.000 1.148 161 Y CB -0.102 38.000 38.460 -0.597 0.000 0.981 161 Y HN -0.140 nan 8.280 nan 0.000 0.507 162 K N 0.135 120.535 120.400 -0.000 0.000 2.103 162 K HA -0.217 4.104 4.320 0.002 0.000 0.207 162 K C 2.138 178.710 176.600 -0.046 0.000 1.048 162 K CA 1.398 57.681 56.287 -0.005 0.000 0.930 162 K CB -0.430 32.132 32.500 0.102 0.000 0.716 162 K HN 0.394 nan 8.250 nan 0.000 0.444 163 A N 0.762 123.549 122.820 -0.055 0.000 1.930 163 A HA -0.030 4.291 4.320 0.002 0.000 0.217 163 A C 2.288 179.807 177.584 -0.108 0.000 1.175 163 A CA 1.617 53.618 52.037 -0.060 0.000 0.627 163 A CB -0.659 18.299 19.000 -0.071 0.000 0.815 163 A HN 0.494 nan 8.150 nan 0.000 0.443 164 A N -1.203 121.518 122.820 -0.166 0.000 1.898 164 A HA 0.060 4.381 4.320 0.002 0.000 0.216 164 A C 1.963 179.324 177.584 -0.372 0.000 1.181 164 A CA 1.321 53.208 52.037 -0.251 0.000 0.620 164 A CB -0.671 18.154 19.000 -0.291 0.000 0.819 164 A HN 0.455 nan 8.150 nan 0.000 0.442 165 F N 0.446 120.048 119.950 -0.581 0.000 2.146 165 F HA -0.119 4.409 4.527 0.002 0.000 0.298 165 F C 2.791 178.238 175.800 -0.588 0.000 1.096 165 F CA 1.895 59.395 58.000 -0.834 0.000 1.275 165 F CB -0.668 37.335 39.000 -1.662 0.000 1.008 165 F HN 0.125 nan 8.300 nan 0.000 0.480 166 T N -0.741 113.705 114.554 -0.180 0.000 2.759 166 T HA -0.264 4.087 4.350 0.002 0.000 0.269 166 T C 1.863 176.609 174.700 0.076 0.000 1.042 166 T CA 1.795 63.980 62.100 0.141 0.000 1.140 166 T CB -0.289 68.686 68.868 0.179 0.000 0.864 166 T HN 0.387 nan 8.240 nan 0.000 0.455 167 E N -0.520 119.663 120.200 -0.029 0.000 2.086 167 E HA -0.071 4.280 4.350 0.002 0.000 0.190 167 E C 2.001 178.567 176.600 -0.056 0.000 0.975 167 E CA 0.857 57.237 56.400 -0.033 0.000 0.813 167 E CB -0.031 29.635 29.700 -0.056 0.000 0.768 167 E HN 0.471 nan 8.360 nan 0.000 0.457 168 c N 0.270 118.792 118.600 -0.130 0.000 2.512 168 c HA 0.099 4.670 4.570 0.002 0.000 0.276 168 c C 2.469 176.493 174.090 -0.109 0.000 1.368 168 c CA -0.287 55.953 56.329 -0.148 0.000 1.755 168 c CB -0.743 41.620 42.510 -0.246 0.000 2.008 168 c HN 0.589 nan 8.230 nan 0.000 0.511 169 c N 1.911 120.463 118.600 -0.079 0.000 2.485 169 c HA -0.045 4.526 4.570 0.002 0.000 0.283 169 c C 1.700 175.866 174.090 0.126 0.000 1.478 169 c CA 0.768 57.123 56.329 0.044 0.000 1.741 169 c CB -2.142 40.453 42.510 0.142 0.000 1.675 169 c HN 0.718 nan 8.230 nan 0.000 0.573 170 Q N -0.522 119.316 119.800 0.063 0.000 2.215 170 Q HA 0.602 4.943 4.340 0.002 0.000 0.337 170 Q C -0.381 175.622 176.000 0.005 0.000 0.887 170 Q CA -0.078 55.749 55.803 0.040 0.000 1.134 170 Q CB 0.499 29.263 28.738 0.044 0.000 1.303 170 Q HN 0.403 nan 8.270 nan 0.000 0.421 171 A N 0.225 123.039 122.820 -0.010 0.000 2.386 171 A HA 0.840 5.161 4.320 0.002 0.000 0.308 171 A C 0.807 178.380 177.584 -0.020 0.000 1.128 171 A CA -0.072 51.952 52.037 -0.021 0.000 0.789 171 A CB 1.139 20.117 19.000 -0.038 0.000 1.325 171 A HN 0.294 nan 8.150 nan 0.000 0.437 172 A N 0.025 122.833 122.820 -0.019 0.000 1.859 172 A HA -0.058 4.263 4.320 0.002 0.000 0.217 172 A C 0.862 178.434 177.584 -0.020 0.000 1.198 172 A CA 2.177 54.204 52.037 -0.017 0.000 0.629 172 A CB -0.400 18.591 19.000 -0.016 0.000 0.830 172 A HN 0.733 nan 8.150 nan 0.000 0.446 173 D N -0.871 119.513 120.400 -0.026 0.000 2.473 173 D HA 0.320 4.961 4.640 0.002 0.000 0.226 173 D C 0.759 177.031 176.300 -0.046 0.000 1.089 173 D CA -0.216 53.765 54.000 -0.031 0.000 0.883 173 D CB 0.781 41.563 40.800 -0.029 0.000 1.029 173 D HN 0.317 nan 8.370 nan 0.000 0.517 174 K N 1.887 122.258 120.400 -0.050 0.000 2.001 174 K HA -0.102 4.219 4.320 0.002 0.000 0.208 174 K C 1.861 178.399 176.600 -0.103 0.000 1.048 174 K CA 1.220 57.460 56.287 -0.078 0.000 0.932 174 K CB -0.022 32.437 32.500 -0.069 0.000 0.715 174 K HN 0.356 nan 8.250 nan 0.000 0.437 175 A N 1.615 124.387 122.820 -0.080 0.000 1.978 175 A HA -0.138 4.183 4.320 0.002 0.000 0.220 175 A C 2.320 179.859 177.584 -0.076 0.000 1.170 175 A CA 1.912 53.901 52.037 -0.081 0.000 0.636 175 A CB -0.617 18.353 19.000 -0.050 0.000 0.810 175 A HN 0.375 nan 8.150 nan 0.000 0.448 176 A N -1.697 121.085 122.820 -0.063 0.000 2.067 176 A HA -0.031 4.290 4.320 0.002 0.000 0.217 176 A C 2.230 179.775 177.584 -0.066 0.000 1.156 176 A CA 1.364 53.368 52.037 -0.054 0.000 0.683 176 A CB -0.971 18.006 19.000 -0.040 0.000 0.808 176 A HN 0.852 nan 8.150 nan 0.000 0.455 177 c N -1.693 116.855 118.600 -0.087 0.000 2.527 177 c HA 0.250 4.821 4.570 0.002 0.000 0.280 177 c C 2.256 176.261 174.090 -0.143 0.000 1.353 177 c CA 0.976 57.245 56.329 -0.101 0.000 1.749 177 c CB -0.917 41.533 42.510 -0.099 0.000 2.088 177 c HN 0.498 nan 8.230 nan 0.000 0.508 178 L N 0.917 122.027 121.223 -0.188 0.000 2.130 178 L HA 0.279 4.620 4.340 0.002 0.000 0.200 178 L C 2.303 179.047 176.870 -0.210 0.000 1.075 178 L CA 1.773 56.443 54.840 -0.283 0.000 0.768 178 L CB -0.851 40.959 42.059 -0.415 0.000 0.933 178 L HN 0.316 nan 8.230 nan 0.000 0.451 179 L N 0.064 121.201 121.223 -0.144 0.000 2.079 179 L HA -0.147 4.194 4.340 0.002 0.000 0.210 179 L C -0.379 176.461 176.870 -0.050 0.000 1.081 179 L CA 1.122 55.912 54.840 -0.083 0.000 0.752 179 L CB -1.936 40.092 42.059 -0.053 0.000 0.896 179 L HN 0.282 nan 8.230 nan 0.000 0.433 180 P HA -0.103 nan 4.420 nan 0.000 0.225 180 P C 1.165 178.452 177.300 -0.022 0.000 1.156 180 P CA 1.146 64.230 63.100 -0.027 0.000 0.787 180 P CB 0.072 31.754 31.700 -0.030 0.000 0.802 181 K N -0.750 119.619 120.400 -0.052 0.000 2.211 181 K HA 0.119 4.440 4.320 0.002 0.000 0.201 181 K C 1.961 178.558 176.600 -0.005 0.000 1.052 181 K CA 0.751 57.012 56.287 -0.044 0.000 0.973 181 K CB -0.406 32.035 32.500 -0.099 0.000 0.766 181 K HN 0.173 nan 8.250 nan 0.000 0.466 182 L N 1.306 122.518 121.223 -0.018 0.000 2.072 182 L HA -0.145 4.196 4.340 0.002 0.000 0.205 182 L C 1.779 178.709 176.870 0.100 0.000 1.079 182 L CA 1.095 55.975 54.840 0.068 0.000 0.752 182 L CB -0.458 41.631 42.059 0.050 0.000 0.906 182 L HN 0.144 nan 8.230 nan 0.000 0.436 183 D N 0.003 120.439 120.400 0.060 0.000 2.144 183 D HA -0.218 4.423 4.640 0.002 0.000 0.199 183 D C 2.045 178.394 176.300 0.082 0.000 0.984 183 D CA 1.136 55.176 54.000 0.066 0.000 0.834 183 D CB 0.067 40.892 40.800 0.041 0.000 0.955 183 D HN 0.380 nan 8.370 nan 0.000 0.465 184 E N 0.265 120.512 120.200 0.078 0.000 2.107 184 E HA -0.097 4.254 4.350 0.002 0.000 0.191 184 E C 2.293 178.983 176.600 0.150 0.000 0.982 184 E CA 0.262 56.719 56.400 0.095 0.000 0.809 184 E CB -0.007 29.736 29.700 0.071 0.000 0.756 184 E HN 0.226 nan 8.360 nan 0.000 0.459 185 L N 0.711 122.038 121.223 0.174 0.000 2.056 185 L HA -0.137 4.204 4.340 0.002 0.000 0.207 185 L C 2.998 180.023 176.870 0.259 0.000 1.078 185 L CA 1.140 56.148 54.840 0.280 0.000 0.749 185 L CB -0.391 41.849 42.059 0.302 0.000 0.901 185 L HN 0.159 nan 8.230 nan 0.000 0.433 186 R N 0.179 120.784 120.500 0.176 0.000 2.081 186 R HA -0.188 4.153 4.340 0.002 0.000 0.235 186 R C 1.669 178.026 176.300 0.095 0.000 1.131 186 R CA 1.933 58.100 56.100 0.111 0.000 0.960 186 R CB -0.164 30.195 30.300 0.098 0.000 0.856 186 R HN 0.322 nan 8.270 nan 0.000 0.436 187 D N 0.282 120.752 120.400 0.117 0.000 2.144 187 D HA -0.151 4.490 4.640 0.002 0.000 0.200 187 D C 1.663 178.049 176.300 0.144 0.000 0.978 187 D CA 1.081 55.147 54.000 0.111 0.000 0.833 187 D CB -0.093 40.767 40.800 0.101 0.000 0.961 187 D HN 0.431 nan 8.370 nan 0.000 0.470 188 E N 0.017 120.349 120.200 0.219 0.000 2.072 188 E HA -0.073 4.278 4.350 0.002 0.000 0.190 188 E C 2.146 178.934 176.600 0.313 0.000 0.982 188 E CA 0.952 57.553 56.400 0.334 0.000 0.803 188 E CB -0.138 29.863 29.700 0.502 0.000 0.755 188 E HN 0.249 nan 8.360 nan 0.000 0.453 189 G N 1.077 109.943 108.800 0.109 0.000 2.418 189 G HA2 -0.277 3.684 3.960 0.002 0.000 0.217 189 G HA3 -0.277 3.684 3.960 0.002 0.000 0.217 189 G C 1.475 176.330 174.900 -0.075 0.000 1.158 189 G CA 0.787 45.755 45.100 -0.220 0.000 0.771 189 G HN 0.153 nan 8.290 nan 0.000 0.545 190 K N 0.446 120.838 120.400 -0.014 0.000 2.026 190 K HA 0.030 4.351 4.320 0.002 0.000 0.208 190 K C 2.971 179.582 176.600 0.019 0.000 1.048 190 K CA 1.074 57.363 56.287 0.004 0.000 0.929 190 K CB -0.226 32.304 32.500 0.051 0.000 0.713 190 K HN 0.267 nan 8.250 nan 0.000 0.439 191 A N 0.769 123.628 122.820 0.065 0.000 1.898 191 A HA -0.179 4.142 4.320 0.002 0.000 0.216 191 A C 2.195 179.802 177.584 0.038 0.000 1.181 191 A CA 1.961 54.051 52.037 0.088 0.000 0.620 191 A CB -0.736 18.342 19.000 0.130 0.000 0.819 191 A HN 0.291 nan 8.150 nan 0.000 0.442 192 S N -0.432 115.285 115.700 0.029 0.000 2.365 192 S HA -0.198 4.273 4.470 0.002 0.000 0.225 192 S C 2.364 176.801 174.600 -0.271 0.000 1.039 192 S CA 2.253 60.425 58.200 -0.048 0.000 1.033 192 S CB -0.499 62.719 63.200 0.032 0.000 0.887 192 S HN 0.666 nan 8.310 nan 0.000 0.447 193 S N 0.440 115.896 115.700 -0.406 0.000 2.383 193 S HA 0.033 4.504 4.470 0.002 0.000 0.227 193 S C 2.055 176.574 174.600 -0.135 0.000 1.026 193 S CA 1.389 59.362 58.200 -0.379 0.000 0.981 193 S CB -0.745 62.322 63.200 -0.221 0.000 0.818 193 S HN 0.693 nan 8.310 nan 0.000 0.472 194 A N 1.440 124.214 122.820 -0.076 0.000 1.898 194 A HA -0.039 4.282 4.320 0.002 0.000 0.216 194 A C 2.137 179.666 177.584 -0.092 0.000 1.181 194 A CA 1.501 53.503 52.037 -0.059 0.000 0.620 194 A CB -0.560 18.419 19.000 -0.034 0.000 0.819 194 A HN 0.621 nan 8.150 nan 0.000 0.442 195 K N -0.918 119.434 120.400 -0.081 0.000 2.032 195 K HA -0.234 4.087 4.320 0.002 0.000 0.209 195 K C 2.356 178.851 176.600 -0.174 0.000 1.048 195 K CA 1.758 57.980 56.287 -0.107 0.000 0.927 195 K CB -0.147 32.320 32.500 -0.055 0.000 0.712 195 K HN 0.493 nan 8.250 nan 0.000 0.441 196 Q N 1.225 120.925 119.800 -0.166 0.000 2.119 196 Q HA -0.145 4.196 4.340 0.002 0.000 0.201 196 Q C 1.939 177.848 176.000 -0.152 0.000 0.972 196 Q CA 1.422 57.115 55.803 -0.183 0.000 0.847 196 Q CB -0.060 28.597 28.738 -0.135 0.000 0.903 196 Q HN 0.039 nan 8.270 nan 0.000 0.433 197 R N -0.370 120.053 120.500 -0.129 0.000 2.120 197 R HA -0.093 4.248 4.340 0.002 0.000 0.234 197 R C 1.860 178.040 176.300 -0.199 0.000 1.123 197 R CA 1.152 57.152 56.100 -0.167 0.000 0.975 197 R CB -0.664 29.559 30.300 -0.128 0.000 0.866 197 R HN 0.424 nan 8.270 nan 0.000 0.446 198 L N 0.439 121.549 121.223 -0.189 0.000 2.156 198 L HA -0.009 4.332 4.340 0.002 0.000 0.208 198 L C 1.531 178.264 176.870 -0.228 0.000 1.095 198 L CA 1.772 56.492 54.840 -0.201 0.000 0.770 198 L CB -0.249 41.677 42.059 -0.222 0.000 0.914 198 L HN 0.066 nan 8.230 nan 0.000 0.439 199 K N -1.265 118.972 120.400 -0.271 0.000 2.057 199 K HA -0.139 4.182 4.320 0.002 0.000 0.206 199 K C 2.108 178.616 176.600 -0.153 0.000 1.050 199 K CA 1.624 57.762 56.287 -0.247 0.000 0.935 199 K CB -0.457 31.823 32.500 -0.366 0.000 0.715 199 K HN 0.423 nan 8.250 nan 0.000 0.439 200 c N 0.543 119.054 118.600 -0.149 0.000 2.466 200 c HA -0.011 4.560 4.570 0.002 0.000 0.278 200 c C 2.905 176.940 174.090 -0.092 0.000 1.288 200 c CA 0.640 56.909 56.329 -0.101 0.000 1.722 200 c CB -0.815 41.644 42.510 -0.086 0.000 2.017 200 c HN 0.533 nan 8.230 nan 0.000 0.488 201 A N 0.903 123.649 122.820 -0.123 0.000 1.908 201 A HA -0.192 4.129 4.320 0.002 0.000 0.218 201 A C 2.243 179.891 177.584 0.108 0.000 1.181 201 A CA 2.469 54.487 52.037 -0.031 0.000 0.627 201 A CB -0.886 18.100 19.000 -0.024 0.000 0.818 201 A HN 0.570 nan 8.150 nan 0.000 0.445 202 S N -0.019 115.737 115.700 0.093 0.000 2.351 202 S HA -0.175 4.296 4.470 0.002 0.000 0.220 202 S C 1.868 176.584 174.600 0.193 0.000 1.035 202 S CA 1.692 60.002 58.200 0.183 0.000 1.031 202 S CB -0.600 62.657 63.200 0.094 0.000 0.928 202 S HN 0.492 nan 8.310 nan 0.000 0.433 203 L N 1.143 122.423 121.223 0.094 0.000 2.012 203 L HA -0.204 4.137 4.340 0.002 0.000 0.210 203 L C 2.797 179.705 176.870 0.062 0.000 1.073 203 L CA 1.447 56.317 54.840 0.050 0.000 0.748 203 L CB -0.486 41.531 42.059 -0.071 0.000 0.891 203 L HN 0.366 nan 8.230 nan 0.000 0.431 204 Q N -1.001 118.828 119.800 0.049 0.000 2.137 204 Q HA -0.102 4.239 4.340 0.002 0.000 0.198 204 Q C 2.058 178.052 176.000 -0.010 0.000 0.960 204 Q CA 0.795 56.620 55.803 0.037 0.000 0.847 204 Q CB 0.225 28.987 28.738 0.040 0.000 0.915 204 Q HN 0.262 nan 8.270 nan 0.000 0.448 205 K N -0.600 119.776 120.400 -0.039 0.000 2.287 205 K HA 0.096 4.417 4.320 0.002 0.000 0.199 205 K C 1.324 177.659 176.600 -0.442 0.000 1.061 205 K CA 0.723 56.851 56.287 -0.266 0.000 0.976 205 K CB 0.394 32.667 32.500 -0.378 0.000 0.898 205 K HN 0.129 nan 8.250 nan 0.000 0.492 206 F N 0.219 120.182 119.950 0.023 0.000 2.717 206 F HA 0.274 4.802 4.527 0.002 0.000 0.297 206 F C 1.005 176.835 175.800 0.050 0.000 1.113 206 F CA 0.306 58.327 58.000 0.034 0.000 1.319 206 F CB 0.761 39.780 39.000 0.031 0.000 1.097 206 F HN 0.082 nan 8.300 nan 0.000 0.595 207 G N 0.717 109.626 108.800 0.181 0.000 2.612 207 G HA2 -0.214 3.747 3.960 0.002 0.000 0.686 207 G HA3 -0.214 3.747 3.960 0.002 0.000 0.686 207 G C 0.354 175.352 174.900 0.163 0.000 1.274 207 G CA -0.153 45.028 45.100 0.136 0.000 0.849 207 G HN 0.211 nan 8.290 nan 0.000 0.595 208 E N -0.235 120.045 120.200 0.132 0.000 2.118 208 E HA -0.198 4.153 4.350 0.002 0.000 0.195 208 E C 2.435 179.157 176.600 0.203 0.000 0.992 208 E CA 1.429 57.923 56.400 0.156 0.000 0.804 208 E CB -0.056 29.710 29.700 0.109 0.000 0.741 208 E HN 0.526 nan 8.360 nan 0.000 0.458 209 R N 0.012 120.612 120.500 0.167 0.000 2.096 209 R HA -0.164 4.177 4.340 0.002 0.000 0.235 209 R C 2.202 178.609 176.300 0.178 0.000 1.127 209 R CA 1.259 57.457 56.100 0.163 0.000 0.968 209 R CB -0.260 30.121 30.300 0.135 0.000 0.861 209 R HN 0.207 nan 8.270 nan 0.000 0.440 210 A N 0.582 123.516 122.820 0.190 0.000 1.858 210 A HA -0.215 4.106 4.320 0.002 0.000 0.216 210 A C 2.002 179.703 177.584 0.195 0.000 1.190 210 A CA 1.417 53.558 52.037 0.172 0.000 0.617 210 A CB -0.912 18.200 19.000 0.186 0.000 0.827 210 A HN 0.515 nan 8.150 nan 0.000 0.443 211 F N 0.779 120.792 119.950 0.105 0.000 2.126 211 F HA -0.199 4.330 4.527 0.002 0.000 0.299 211 F C 2.188 178.117 175.800 0.215 0.000 1.096 211 F CA 2.292 60.363 58.000 0.118 0.000 1.255 211 F CB -0.090 38.948 39.000 0.063 0.000 0.997 211 F HN 0.144 nan 8.300 nan 0.000 0.479 212 K N -0.058 120.514 120.400 0.287 0.000 2.148 212 K HA -0.071 4.250 4.320 0.002 0.000 0.204 212 K C 2.302 178.961 176.600 0.098 0.000 1.050 212 K CA 0.928 57.335 56.287 0.201 0.000 0.942 212 K CB -0.458 32.172 32.500 0.216 0.000 0.724 212 K HN 0.340 nan 8.250 nan 0.000 0.446 213 A N 1.113 123.999 122.820 0.110 0.000 1.877 213 A HA -0.210 4.111 4.320 0.002 0.000 0.216 213 A C 1.949 179.549 177.584 0.026 0.000 1.186 213 A CA 1.442 53.527 52.037 0.081 0.000 0.620 213 A CB -1.026 18.032 19.000 0.095 0.000 0.822 213 A HN 0.615 nan 8.150 nan 0.000 0.443 214 W N 0.695 121.890 121.300 -0.174 0.000 2.318 214 W HA -0.208 4.452 4.660 0.001 0.000 0.313 214 W C 2.379 178.730 176.519 -0.281 0.000 1.221 214 W CA 2.672 59.866 57.345 -0.251 0.000 1.266 214 W CB -0.202 29.046 29.460 -0.354 0.000 1.150 214 W HN 0.351 nan 8.180 nan 0.000 0.496 215 A N -0.378 122.299 122.820 -0.239 0.000 1.929 215 A HA -0.115 4.206 4.320 0.002 0.000 0.216 215 A C 2.002 179.413 177.584 -0.288 0.000 1.176 215 A CA 1.937 53.739 52.037 -0.391 0.000 0.628 215 A CB -1.158 17.771 19.000 -0.118 0.000 0.816 215 A HN 0.202 nan 8.150 nan 0.000 0.444 216 V N -0.005 119.831 119.914 -0.130 0.000 2.287 216 V HA -0.295 3.826 4.120 0.002 0.000 0.248 216 V C 3.075 179.116 176.094 -0.090 0.000 1.053 216 V CA 2.121 64.402 62.300 -0.032 0.000 1.027 216 V CB -1.234 30.635 31.823 0.076 0.000 0.646 216 V HN 0.617 nan 8.190 nan 0.000 0.447 217 A N -0.024 122.686 122.820 -0.184 0.000 1.877 217 A HA -0.251 4.070 4.320 0.002 0.000 0.216 217 A C 2.301 179.675 177.584 -0.349 0.000 1.186 217 A CA 2.177 54.076 52.037 -0.230 0.000 0.620 217 A CB -0.563 18.295 19.000 -0.237 0.000 0.822 217 A HN 0.436 nan 8.150 nan 0.000 0.443 218 R N 0.161 120.304 120.500 -0.595 0.000 2.070 218 R HA -0.011 4.330 4.340 0.002 0.000 0.233 218 R C 1.903 177.919 176.300 -0.474 0.000 1.137 218 R CA 1.777 57.481 56.100 -0.661 0.000 0.945 218 R CB -0.934 28.665 30.300 -1.168 0.000 0.845 218 R HN 0.524 nan 8.270 nan 0.000 0.430 219 L N -0.120 120.865 121.223 -0.396 0.000 2.275 219 L HA -0.060 4.281 4.340 0.002 0.000 0.215 219 L C 2.175 178.920 176.870 -0.209 0.000 1.119 219 L CA 1.112 55.763 54.840 -0.315 0.000 0.790 219 L CB -0.317 41.695 42.059 -0.079 0.000 0.919 219 L HN 0.175 nan 8.230 nan 0.000 0.443 220 S N -0.567 115.064 115.700 -0.115 0.000 2.371 220 S HA -0.168 4.303 4.470 0.002 0.000 0.224 220 S C 1.942 176.451 174.600 -0.151 0.000 1.029 220 S CA 0.966 59.148 58.200 -0.030 0.000 0.978 220 S CB -0.062 63.143 63.200 0.008 0.000 0.833 220 S HN 0.438 nan 8.310 nan 0.000 0.466 221 Q N 0.435 120.104 119.800 -0.219 0.000 2.135 221 Q HA -0.069 4.272 4.340 0.002 0.000 0.204 221 Q C 2.422 178.275 176.000 -0.245 0.000 0.981 221 Q CA 1.133 56.798 55.803 -0.229 0.000 0.856 221 Q CB -0.079 28.519 28.738 -0.234 0.000 0.902 221 Q HN 0.338 nan 8.270 nan 0.000 0.425 222 R N -0.531 119.749 120.500 -0.367 0.000 2.080 222 R HA -0.010 4.331 4.340 0.002 0.000 0.222 222 R C 0.028 176.090 176.300 -0.397 0.000 1.107 222 R CA 0.622 56.415 56.100 -0.511 0.000 0.980 222 R CB 0.436 30.208 30.300 -0.879 0.000 0.879 222 R HN 0.106 nan 8.270 nan 0.000 0.439 223 F N 0.621 120.550 119.950 -0.035 0.000 2.532 223 F HA 0.371 4.900 4.527 0.002 0.000 0.313 223 F C -1.849 173.956 175.800 0.007 0.000 1.301 223 F CA -3.105 54.891 58.000 -0.007 0.000 1.154 223 F CB 1.079 40.090 39.000 0.018 0.000 1.335 223 F HN -0.072 nan 8.300 nan 0.000 0.542 224 P HA -0.166 nan 4.420 nan 0.000 0.221 224 P C 1.172 178.503 177.300 0.052 0.000 1.145 224 P CA 1.500 64.601 63.100 0.001 0.000 0.795 224 P CB 0.252 31.911 31.700 -0.069 0.000 0.775 225 K N -0.829 119.627 120.400 0.093 0.000 2.314 225 K HA 0.194 4.515 4.320 0.002 0.000 0.198 225 K C 1.073 177.745 176.600 0.119 0.000 1.045 225 K CA 0.024 56.358 56.287 0.080 0.000 0.988 225 K CB -0.104 32.426 32.500 0.051 0.000 0.783 225 K HN 0.048 nan 8.250 nan 0.000 0.484 226 A N 2.566 125.483 122.820 0.162 0.000 2.462 226 A HA 0.017 4.338 4.320 0.002 0.000 0.243 226 A C 0.141 177.853 177.584 0.213 0.000 1.076 226 A CA -0.245 51.883 52.037 0.151 0.000 0.773 226 A CB 0.226 19.314 19.000 0.146 0.000 1.010 226 A HN 0.097 nan 8.150 nan 0.000 0.493 227 E N 0.890 121.166 120.200 0.127 0.000 2.442 227 E HA -0.035 4.316 4.350 0.002 0.000 0.260 227 E C 0.531 177.109 176.600 -0.038 0.000 1.148 227 E CA -0.057 56.404 56.400 0.101 0.000 0.976 227 E CB 0.126 29.861 29.700 0.059 0.000 0.967 227 E HN 0.667 nan 8.360 nan 0.000 0.454 228 F N 1.453 121.163 119.950 -0.399 0.000 2.186 228 F HA -0.093 4.434 4.527 0.002 0.000 0.299 228 F C 2.004 177.631 175.800 -0.288 0.000 1.090 228 F CA 1.586 59.166 58.000 -0.700 0.000 1.307 228 F CB -0.293 38.277 39.000 -0.717 0.000 1.019 228 F HN 0.506 nan 8.300 nan 0.000 0.489 229 A N -0.014 122.667 122.820 -0.231 0.000 1.930 229 A HA -0.151 4.170 4.320 0.002 0.000 0.217 229 A C 2.232 179.702 177.584 -0.190 0.000 1.175 229 A CA 1.626 53.522 52.037 -0.235 0.000 0.627 229 A CB -0.720 18.237 19.000 -0.073 0.000 0.815 229 A HN 0.404 nan 8.150 nan 0.000 0.443 230 E N -0.099 120.040 120.200 -0.103 0.000 2.106 230 E HA -0.105 4.246 4.350 0.002 0.000 0.192 230 E C 2.208 178.783 176.600 -0.041 0.000 0.984 230 E CA 1.286 57.668 56.400 -0.030 0.000 0.806 230 E CB -0.304 29.408 29.700 0.020 0.000 0.750 230 E HN 0.399 nan 8.360 nan 0.000 0.458 231 V N 1.178 121.037 119.914 -0.092 0.000 2.295 231 V HA -0.248 3.873 4.120 0.002 0.000 0.246 231 V C 2.380 178.392 176.094 -0.137 0.000 1.049 231 V CA 1.924 64.193 62.300 -0.051 0.000 1.024 231 V CB -0.608 31.198 31.823 -0.029 0.000 0.648 231 V HN 0.175 nan 8.190 nan 0.000 0.447 232 S N -0.435 115.060 115.700 -0.343 0.000 2.382 232 S HA -0.221 4.250 4.470 0.002 0.000 0.228 232 S C 2.061 176.571 174.600 -0.151 0.000 1.027 232 S CA 1.493 59.502 58.200 -0.317 0.000 0.991 232 S CB -0.338 62.555 63.200 -0.511 0.000 0.823 232 S HN 0.511 nan 8.310 nan 0.000 0.469 233 K N 1.584 121.903 120.400 -0.135 0.000 2.057 233 K HA -0.029 4.292 4.320 0.002 0.000 0.207 233 K C 1.977 178.534 176.600 -0.071 0.000 1.049 233 K CA 1.131 57.354 56.287 -0.106 0.000 0.931 233 K CB -0.491 31.937 32.500 -0.120 0.000 0.714 233 K HN 0.367 nan 8.250 nan 0.000 0.440 234 L N 0.637 121.852 121.223 -0.013 0.000 2.056 234 L HA -0.166 4.175 4.340 0.002 0.000 0.207 234 L C 2.580 179.503 176.870 0.089 0.000 1.078 234 L CA 0.778 55.654 54.840 0.060 0.000 0.749 234 L CB -0.535 41.609 42.059 0.142 0.000 0.901 234 L HN -0.087 nan 8.230 nan 0.000 0.433 235 V N -0.276 119.680 119.914 0.070 0.000 2.287 235 V HA -0.326 3.796 4.120 0.002 0.000 0.248 235 V C 2.592 178.769 176.094 0.138 0.000 1.053 235 V CA 2.485 64.850 62.300 0.109 0.000 1.027 235 V CB -0.867 30.992 31.823 0.060 0.000 0.646 235 V HN 0.499 nan 8.190 nan 0.000 0.447 236 T N -0.379 114.217 114.554 0.069 0.000 2.746 236 T HA -0.192 4.159 4.350 0.002 0.000 0.267 236 T C 1.630 176.373 174.700 0.072 0.000 1.039 236 T CA 1.752 63.891 62.100 0.064 0.000 1.142 236 T CB -0.381 68.493 68.868 0.009 0.000 0.866 236 T HN 0.508 nan 8.240 nan 0.000 0.444 237 D N 0.849 121.278 120.400 0.048 0.000 2.117 237 D HA -0.006 4.635 4.640 0.002 0.000 0.198 237 D C 1.996 178.364 176.300 0.114 0.000 0.982 237 D CA 0.468 54.497 54.000 0.048 0.000 0.828 237 D CB -0.479 40.319 40.800 -0.003 0.000 0.967 237 D HN 0.187 nan 8.370 nan 0.000 0.464 238 L N 0.732 122.066 121.223 0.185 0.000 2.141 238 L HA -0.077 4.264 4.340 0.002 0.000 0.209 238 L C 2.022 179.112 176.870 0.367 0.000 1.094 238 L CA 1.560 56.578 54.840 0.296 0.000 0.763 238 L CB -0.693 41.595 42.059 0.382 0.000 0.908 238 L HN -0.083 nan 8.230 nan 0.000 0.437 239 T N -0.741 114.016 114.554 0.339 0.000 2.821 239 T HA -0.178 4.173 4.350 0.002 0.000 0.267 239 T C 1.888 176.623 174.700 0.059 0.000 1.046 239 T CA 1.443 63.698 62.100 0.258 0.000 1.139 239 T CB -0.103 68.946 68.868 0.301 0.000 0.871 239 T HN 0.312 nan 8.240 nan 0.000 0.454 240 K N 0.836 121.281 120.400 0.074 0.000 2.026 240 K HA -0.088 4.233 4.320 0.002 0.000 0.208 240 K C 2.232 178.842 176.600 0.017 0.000 1.048 240 K CA 1.032 57.339 56.287 0.034 0.000 0.929 240 K CB -0.372 32.151 32.500 0.038 0.000 0.713 240 K HN 0.111 nan 8.250 nan 0.000 0.439 241 V N 1.412 121.336 119.914 0.017 0.000 2.231 241 V HA -0.317 3.804 4.120 0.002 0.000 0.250 241 V C 2.335 178.365 176.094 -0.106 0.000 1.058 241 V CA 2.083 64.358 62.300 -0.041 0.000 1.022 241 V CB -0.711 31.066 31.823 -0.077 0.000 0.640 241 V HN 0.464 nan 8.190 nan 0.000 0.445 242 H N -0.471 118.579 119.070 -0.034 0.000 2.457 242 H HA -0.074 4.483 4.556 0.002 0.000 0.294 242 H C 2.440 177.668 175.328 -0.166 0.000 1.064 242 H CA 1.759 57.710 56.048 -0.162 0.000 1.330 242 H CB -0.308 29.216 29.762 -0.397 0.000 1.395 242 H HN 0.444 nan 8.280 nan 0.000 0.541 243 T N 0.804 115.318 114.554 -0.067 0.000 2.777 243 T HA -0.108 4.243 4.350 0.002 0.000 0.266 243 T C 1.891 176.627 174.700 0.061 0.000 1.040 243 T CA 1.257 63.337 62.100 -0.035 0.000 1.141 243 T CB 0.019 68.859 68.868 -0.047 0.000 0.868 243 T HN 0.496 nan 8.240 nan 0.000 0.444 244 E N 0.117 120.357 120.200 0.065 0.000 2.047 244 E HA -0.088 4.263 4.350 0.002 0.000 0.191 244 E C 2.531 179.220 176.600 0.148 0.000 0.987 244 E CA 1.009 57.481 56.400 0.121 0.000 0.799 244 E CB -0.303 29.450 29.700 0.087 0.000 0.752 244 E HN 0.383 nan 8.360 nan 0.000 0.449 245 c N 0.422 119.093 118.600 0.118 0.000 2.413 245 c HA -0.179 4.392 4.570 0.002 0.000 0.277 245 c C 2.875 177.059 174.090 0.156 0.000 1.228 245 c CA 0.571 56.989 56.329 0.148 0.000 1.731 245 c CB -0.720 41.925 42.510 0.225 0.000 2.042 245 c HN 0.613 nan 8.230 nan 0.000 0.468 246 c N -1.401 117.295 118.600 0.160 0.000 2.419 246 c HA -0.113 4.458 4.570 0.002 0.000 0.283 246 c C 2.291 176.518 174.090 0.229 0.000 1.373 246 c CA 1.218 57.665 56.329 0.197 0.000 1.781 246 c CB -1.980 40.610 42.510 0.134 0.000 1.886 246 c HN 0.754 nan 8.230 nan 0.000 0.520 247 H N -0.293 118.848 119.070 0.119 0.000 2.539 247 H HA 0.278 4.835 4.556 0.002 0.000 0.269 247 H C 1.640 177.069 175.328 0.170 0.000 0.980 247 H CA 0.809 56.944 56.048 0.145 0.000 1.152 247 H CB -0.278 29.570 29.762 0.143 0.000 1.407 247 H HN 0.395 nan 8.280 nan 0.000 0.564 248 G N 0.566 109.418 108.800 0.087 0.000 2.141 248 G HA2 -0.233 3.728 3.960 0.002 0.000 0.242 248 G HA3 -0.233 3.728 3.960 0.002 0.000 0.242 248 G C -0.382 174.599 174.900 0.134 0.000 0.982 248 G CA 0.243 45.338 45.100 -0.007 0.000 0.662 248 G HN 0.475 nan 8.290 nan 0.000 0.527 249 D N 1.047 121.570 120.400 0.206 0.000 2.639 249 D HA 0.386 5.027 4.640 0.002 0.000 0.233 249 D C 1.958 178.327 176.300 0.114 0.000 1.161 249 D CA -0.343 53.783 54.000 0.209 0.000 1.003 249 D CB 0.288 41.228 40.800 0.234 0.000 1.034 249 D HN 0.342 nan 8.370 nan 0.000 0.514 250 L N -0.070 121.191 121.223 0.063 0.000 2.095 250 L HA -0.048 4.293 4.340 0.002 0.000 0.204 250 L C 2.356 179.218 176.870 -0.013 0.000 1.080 250 L CA 0.525 55.368 54.840 0.005 0.000 0.759 250 L CB -0.195 41.825 42.059 -0.064 0.000 0.914 250 L HN 0.258 nan 8.230 nan 0.000 0.439 251 L N 0.282 121.497 121.223 -0.013 0.000 2.012 251 L HA -0.213 4.128 4.340 0.002 0.000 0.210 251 L C 2.893 179.763 176.870 0.002 0.000 1.073 251 L CA 1.574 56.400 54.840 -0.024 0.000 0.748 251 L CB -0.673 41.390 42.059 0.007 0.000 0.891 251 L HN 0.451 nan 8.230 nan 0.000 0.431 252 E N -0.380 119.838 120.200 0.030 0.000 2.112 252 E HA -0.218 4.133 4.350 0.002 0.000 0.190 252 E C 2.368 178.985 176.600 0.028 0.000 0.979 252 E CA 1.343 57.761 56.400 0.031 0.000 0.814 252 E CB -0.952 28.779 29.700 0.051 0.000 0.762 252 E HN 0.536 nan 8.360 nan 0.000 0.460 253 c N 1.975 120.597 118.600 0.036 0.000 2.393 253 c HA -0.067 4.504 4.570 0.002 0.000 0.276 253 c C 3.119 177.214 174.090 0.009 0.000 1.215 253 c CA 1.858 58.208 56.329 0.034 0.000 1.743 253 c CB -1.121 41.425 42.510 0.059 0.000 2.044 253 c HN 0.561 nan 8.230 nan 0.000 0.464 254 A N -0.232 122.580 122.820 -0.013 0.000 1.908 254 A HA -0.208 4.113 4.320 0.002 0.000 0.218 254 A C 2.021 179.593 177.584 -0.021 0.000 1.181 254 A CA 2.407 54.422 52.037 -0.037 0.000 0.627 254 A CB -0.931 18.039 19.000 -0.050 0.000 0.818 254 A HN 0.717 nan 8.150 nan 0.000 0.445 255 D N -0.180 120.212 120.400 -0.014 0.000 2.097 255 D HA -0.124 4.517 4.640 0.002 0.000 0.197 255 D C 1.311 177.618 176.300 0.011 0.000 0.984 255 D CA 1.319 55.312 54.000 -0.012 0.000 0.826 255 D CB -0.272 40.507 40.800 -0.035 0.000 0.973 255 D HN 0.341 nan 8.370 nan 0.000 0.460 256 D N -0.092 120.320 120.400 0.020 0.000 2.178 256 D HA -0.138 4.503 4.640 0.002 0.000 0.201 256 D C 2.067 178.388 176.300 0.035 0.000 0.980 256 D CA 0.450 54.469 54.000 0.032 0.000 0.842 256 D CB -0.152 40.668 40.800 0.034 0.000 0.948 256 D HN 0.255 nan 8.370 nan 0.000 0.472 257 R N 0.791 121.307 120.500 0.026 0.000 2.066 257 R HA -0.090 4.251 4.340 0.002 0.000 0.232 257 R C 2.148 178.470 176.300 0.037 0.000 1.131 257 R CA 1.354 57.476 56.100 0.036 0.000 0.955 257 R CB -0.204 30.103 30.300 0.011 0.000 0.851 257 R HN 0.073 nan 8.270 nan 0.000 0.432 258 A N 1.562 124.394 122.820 0.020 0.000 1.917 258 A HA -0.227 4.094 4.320 0.002 0.000 0.219 258 A C 1.689 179.298 177.584 0.043 0.000 1.182 258 A CA 2.092 54.143 52.037 0.024 0.000 0.633 258 A CB -0.648 18.359 19.000 0.012 0.000 0.819 258 A HN 0.420 nan 8.150 nan 0.000 0.448 259 D N -0.644 119.786 120.400 0.048 0.000 2.149 259 D HA -0.134 4.507 4.640 0.002 0.000 0.198 259 D C 1.816 178.173 176.300 0.095 0.000 0.990 259 D CA 1.370 55.409 54.000 0.065 0.000 0.839 259 D CB -0.372 40.462 40.800 0.057 0.000 0.948 259 D HN 0.381 nan 8.370 nan 0.000 0.460 260 L N 0.890 122.169 121.223 0.093 0.000 2.072 260 L HA 0.013 4.354 4.340 0.002 0.000 0.205 260 L C 2.153 179.113 176.870 0.150 0.000 1.079 260 L CA 1.603 56.522 54.840 0.131 0.000 0.752 260 L CB -0.870 41.257 42.059 0.114 0.000 0.906 260 L HN -0.036 nan 8.230 nan 0.000 0.436 261 A N -0.193 122.688 122.820 0.102 0.000 1.917 261 A HA -0.318 4.003 4.320 0.002 0.000 0.219 261 A C 2.481 180.099 177.584 0.057 0.000 1.182 261 A CA 2.347 54.428 52.037 0.073 0.000 0.633 261 A CB -0.734 18.295 19.000 0.048 0.000 0.819 261 A HN 0.554 nan 8.150 nan 0.000 0.448 262 K N -1.978 118.463 120.400 0.067 0.000 2.167 262 K HA -0.153 4.168 4.320 0.002 0.000 0.203 262 K C 1.937 178.569 176.600 0.054 0.000 1.052 262 K CA 1.357 57.672 56.287 0.047 0.000 0.956 262 K CB -0.343 32.187 32.500 0.050 0.000 0.735 262 K HN 0.524 nan 8.250 nan 0.000 0.451 263 Y N 1.675 121.974 120.300 -0.002 0.000 2.181 263 Y HA -0.164 4.387 4.550 0.002 0.000 0.288 263 Y C 1.764 177.646 175.900 -0.030 0.000 1.146 263 Y CA 1.562 59.656 58.100 -0.011 0.000 1.164 263 Y CB -0.135 38.323 38.460 -0.004 0.000 0.982 263 Y HN -0.018 nan 8.280 nan 0.000 0.515 264 I N -0.975 119.546 120.570 -0.081 0.000 2.202 264 I HA -0.332 3.839 4.170 0.002 0.000 0.242 264 I C 2.345 178.329 176.117 -0.222 0.000 1.091 264 I CA 1.238 62.422 61.300 -0.192 0.000 1.368 264 I CB -0.640 37.339 38.000 -0.037 0.000 1.058 264 I HN 0.271 nan 8.210 nan 0.000 0.410 265 c N 0.596 119.121 118.600 -0.125 0.000 2.422 265 c HA -0.126 4.445 4.570 0.002 0.000 0.286 265 c C 2.344 176.356 174.090 -0.131 0.000 1.412 265 c CA 0.734 57.000 56.329 -0.105 0.000 1.786 265 c CB -1.397 41.082 42.510 -0.053 0.000 1.835 265 c HN 0.470 nan 8.230 nan 0.000 0.533 266 E N 0.290 120.380 120.200 -0.183 0.000 2.478 266 E HA 0.028 4.379 4.350 0.002 0.000 0.194 266 E C 0.373 176.835 176.600 -0.230 0.000 1.045 266 E CA 0.305 56.599 56.400 -0.176 0.000 0.868 266 E CB 0.103 29.709 29.700 -0.156 0.000 0.885 266 E HN 0.652 nan 8.360 nan 0.000 0.505 267 N N 0.566 119.081 118.700 -0.309 0.000 2.598 267 N HA 0.059 4.800 4.740 0.002 0.000 0.295 267 N C 0.221 175.585 175.510 -0.242 0.000 1.729 267 N CA 0.080 52.948 53.050 -0.303 0.000 0.877 267 N CB 0.876 39.072 38.487 -0.485 0.000 1.405 267 N HN 0.120 nan 8.380 nan 0.000 0.491 268 Q N 0.348 120.037 119.800 -0.186 0.000 2.170 268 Q HA -0.097 4.244 4.340 0.002 0.000 0.203 268 Q C 0.662 176.587 176.000 -0.125 0.000 0.976 268 Q CA 1.100 56.808 55.803 -0.159 0.000 0.858 268 Q CB 0.127 28.798 28.738 -0.113 0.000 0.907 268 Q HN 0.331 nan 8.270 nan 0.000 0.433 269 D N 0.283 120.623 120.400 -0.100 0.000 2.263 269 D HA -0.084 4.557 4.640 0.002 0.000 0.208 269 D C 1.095 177.356 176.300 -0.066 0.000 0.971 269 D CA 1.035 54.993 54.000 -0.069 0.000 0.867 269 D CB 0.070 40.837 40.800 -0.055 0.000 0.929 269 D HN 0.124 nan 8.370 nan 0.000 0.492 270 S N -0.658 114.987 115.700 -0.091 0.000 2.539 270 S HA 0.254 4.725 4.470 0.002 0.000 0.221 270 S C 1.644 176.192 174.600 -0.086 0.000 0.987 270 S CA -0.286 57.872 58.200 -0.069 0.000 0.929 270 S CB 0.913 64.075 63.200 -0.064 0.000 0.832 270 S HN 0.217 nan 8.310 nan 0.000 0.492 271 I N -0.900 119.582 120.570 -0.147 0.000 3.746 271 I HA 0.274 4.445 4.170 0.002 0.000 0.262 271 I C 0.441 176.433 176.117 -0.208 0.000 1.153 271 I CA 0.125 61.269 61.300 -0.259 0.000 1.395 271 I CB 0.802 38.511 38.000 -0.486 0.000 1.589 271 I HN 0.163 nan 8.210 nan 0.000 0.441 272 S N -0.513 115.083 115.700 -0.173 0.000 2.565 272 S HA 0.210 4.681 4.470 0.002 0.000 0.274 272 S C 0.150 174.735 174.600 -0.024 0.000 1.144 272 S CA 0.034 58.217 58.200 -0.028 0.000 0.849 272 S CB 1.382 64.646 63.200 0.107 0.000 1.103 272 S HN 0.243 nan 8.310 nan 0.000 0.455 273 S N 1.896 117.603 115.700 0.012 0.000 2.575 273 S HA 0.236 4.707 4.470 0.002 0.000 0.215 273 S C 0.656 175.262 174.600 0.011 0.000 0.966 273 S CA -0.194 58.007 58.200 0.001 0.000 0.911 273 S CB -0.105 63.097 63.200 0.002 0.000 0.780 273 S HN 0.558 nan 8.310 nan 0.000 0.514 274 K N 1.166 121.587 120.400 0.034 0.000 2.410 274 K HA 0.379 4.700 4.320 0.002 0.000 0.200 274 K C 0.697 177.320 176.600 0.037 0.000 1.023 274 K CA 0.038 56.349 56.287 0.040 0.000 1.149 274 K CB -0.039 32.498 32.500 0.061 0.000 0.859 274 K HN 0.445 nan 8.250 nan 0.000 0.514 275 L N 0.115 121.348 121.223 0.016 0.000 2.607 275 L HA 0.065 4.406 4.340 0.002 0.000 0.228 275 L C 1.791 178.658 176.870 -0.004 0.000 1.123 275 L CA -0.032 54.812 54.840 0.006 0.000 0.890 275 L CB 0.046 42.086 42.059 -0.033 0.000 1.103 275 L HN -0.097 nan 8.230 nan 0.000 0.468 276 K N 1.031 121.429 120.400 -0.005 0.000 1.978 276 K HA -0.200 4.121 4.320 0.002 0.000 0.214 276 K C 1.998 178.599 176.600 0.001 0.000 1.049 276 K CA 1.754 58.037 56.287 -0.007 0.000 0.939 276 K CB -0.528 31.968 32.500 -0.006 0.000 0.721 276 K HN 0.339 nan 8.250 nan 0.000 0.441 277 E N 1.358 121.563 120.200 0.008 0.000 2.070 277 E HA -0.208 4.143 4.350 0.002 0.000 0.197 277 E C 2.205 178.815 176.600 0.017 0.000 1.004 277 E CA 1.694 58.102 56.400 0.014 0.000 0.805 277 E CB -1.002 28.709 29.700 0.019 0.000 0.744 277 E HN 0.231 nan 8.360 nan 0.000 0.451 278 c N 0.761 119.372 118.600 0.018 0.000 2.403 278 c HA -0.123 4.448 4.570 0.002 0.000 0.277 278 c C 2.713 176.810 174.090 0.011 0.000 1.248 278 c CA 0.993 57.334 56.329 0.019 0.000 1.762 278 c CB -1.189 41.334 42.510 0.022 0.000 2.014 278 c HN 0.565 nan 8.230 nan 0.000 0.486 279 c N 0.631 119.232 118.600 0.003 0.000 2.524 279 c HA 0.096 4.667 4.570 0.002 0.000 0.301 279 c C 1.736 175.825 174.090 -0.002 0.000 1.296 279 c CA 0.379 56.705 56.329 -0.005 0.000 1.683 279 c CB -2.061 40.438 42.510 -0.019 0.000 1.764 279 c HN 0.632 nan 8.230 nan 0.000 0.597 280 E N -0.200 120.003 120.200 0.005 0.000 2.562 280 E HA 0.085 4.437 4.350 0.002 0.000 0.214 280 E C 0.519 177.127 176.600 0.014 0.000 0.979 280 E CA -0.006 56.398 56.400 0.007 0.000 1.002 280 E CB 0.553 30.258 29.700 0.007 0.000 1.048 280 E HN 0.581 nan 8.360 nan 0.000 0.488 281 K N 1.536 121.946 120.400 0.017 0.000 2.120 281 K HA 0.233 4.554 4.320 0.002 0.000 0.245 281 K C -2.409 174.206 176.600 0.024 0.000 1.024 281 K CA -1.667 54.635 56.287 0.025 0.000 0.906 281 K CB 0.115 32.633 32.500 0.030 0.000 1.051 281 K HN -0.155 nan 8.250 nan 0.000 0.491 282 P HA -0.024 nan 4.420 nan 0.000 0.272 282 P C 0.636 177.954 177.300 0.031 0.000 1.230 282 P CA -0.271 62.851 63.100 0.036 0.000 0.788 282 P CB 0.476 32.207 31.700 0.051 0.000 0.949 283 L N 1.817 123.056 121.223 0.027 0.000 1.987 283 L HA -0.271 4.070 4.340 0.002 0.000 0.230 283 L C 2.146 179.019 176.870 0.005 0.000 1.089 283 L CA 2.053 56.903 54.840 0.016 0.000 0.802 283 L CB -1.039 41.030 42.059 0.016 0.000 0.905 283 L HN 0.347 nan 8.230 nan 0.000 0.441 284 L N -1.241 119.999 121.223 0.029 0.000 2.083 284 L HA -0.230 4.111 4.340 0.002 0.000 0.209 284 L C 2.502 179.268 176.870 -0.173 0.000 1.083 284 L CA 1.419 56.263 54.840 0.006 0.000 0.752 284 L CB -0.473 41.686 42.059 0.167 0.000 0.899 284 L HN 0.405 nan 8.230 nan 0.000 0.433 285 E N 0.287 120.439 120.200 -0.080 0.000 2.028 285 E HA -0.272 4.079 4.350 0.002 0.000 0.191 285 E C 2.218 178.737 176.600 -0.135 0.000 0.988 285 E CA 1.230 57.528 56.400 -0.171 0.000 0.799 285 E CB 0.045 29.782 29.700 0.061 0.000 0.755 285 E HN 0.234 nan 8.360 nan 0.000 0.447 286 K N 0.160 120.531 120.400 -0.049 0.000 2.059 286 K HA -0.216 4.105 4.320 0.002 0.000 0.212 286 K C 2.224 178.807 176.600 -0.028 0.000 1.050 286 K CA 1.940 58.215 56.287 -0.021 0.000 0.927 286 K CB -0.172 32.326 32.500 -0.004 0.000 0.714 286 K HN -0.003 nan 8.250 nan 0.000 0.447 287 S N -0.034 115.640 115.700 -0.044 0.000 2.368 287 S HA -0.171 4.300 4.470 0.002 0.000 0.224 287 S C 1.786 176.363 174.600 -0.038 0.000 1.029 287 S CA 1.057 59.244 58.200 -0.022 0.000 0.988 287 S CB -0.522 62.664 63.200 -0.023 0.000 0.838 287 S HN 0.476 nan 8.310 nan 0.000 0.462 288 H N 0.218 119.128 119.070 -0.266 0.000 2.319 288 H HA -0.143 4.414 4.556 0.002 0.000 0.299 288 H C 2.580 177.813 175.328 -0.158 0.000 1.092 288 H CA 1.874 57.734 56.048 -0.313 0.000 1.302 288 H CB -0.667 28.597 29.762 -0.830 0.000 1.373 288 H HN 0.484 nan 8.280 nan 0.000 0.497 289 c N 0.782 119.341 118.600 -0.068 0.000 2.436 289 c HA -0.110 4.461 4.570 0.002 0.000 0.277 289 c C 3.055 177.122 174.090 -0.039 0.000 1.241 289 c CA 0.986 57.293 56.329 -0.037 0.000 1.721 289 c CB -1.399 41.125 42.510 0.024 0.000 2.043 289 c HN 0.613 nan 8.230 nan 0.000 0.472 290 I N 1.356 121.926 120.570 -0.001 0.000 2.361 290 I HA -0.171 4.000 4.170 0.002 0.000 0.251 290 I C 2.715 178.873 176.117 0.068 0.000 1.133 290 I CA 1.496 62.829 61.300 0.055 0.000 1.413 290 I CB -0.444 37.601 38.000 0.075 0.000 1.073 290 I HN 0.462 nan 8.210 nan 0.000 0.424 291 A N -0.282 122.551 122.820 0.021 0.000 2.067 291 A HA -0.097 4.224 4.320 0.002 0.000 0.219 291 A C 1.727 179.302 177.584 -0.015 0.000 1.158 291 A CA 1.299 53.360 52.037 0.040 0.000 0.661 291 A CB -0.086 18.948 19.000 0.057 0.000 0.801 291 A HN 0.320 nan 8.150 nan 0.000 0.452 292 E N -0.752 119.405 120.200 -0.072 0.000 2.812 292 E HA 0.201 4.552 4.350 0.002 0.000 0.211 292 E C -0.355 176.219 176.600 -0.044 0.000 0.986 292 E CA -0.197 56.158 56.400 -0.075 0.000 1.119 292 E CB 0.327 29.945 29.700 -0.137 0.000 1.046 292 E HN 0.221 nan 8.360 nan 0.000 0.474 293 V N 2.292 122.198 119.914 -0.014 0.000 2.924 293 V HA 0.021 4.142 4.120 0.002 0.000 0.305 293 V C 0.536 176.621 176.094 -0.014 0.000 1.073 293 V CA -0.203 62.103 62.300 0.011 0.000 1.098 293 V CB 0.950 32.813 31.823 0.066 0.000 1.000 293 V HN 0.304 nan 8.190 nan 0.000 0.484 294 E N 5.044 125.240 120.200 -0.007 0.000 2.404 294 E HA 0.100 4.451 4.350 0.002 0.000 0.261 294 E C -0.352 176.223 176.600 -0.041 0.000 1.074 294 E CA -0.634 55.748 56.400 -0.029 0.000 0.917 294 E CB 0.304 29.995 29.700 -0.016 0.000 0.965 294 E HN 0.688 nan 8.360 nan 0.000 0.433 295 N N 2.629 121.283 118.700 -0.076 0.000 2.411 295 N HA -0.037 4.704 4.740 0.002 0.000 0.261 295 N C -0.488 174.997 175.510 -0.040 0.000 1.248 295 N CA 0.225 53.220 53.050 -0.092 0.000 0.885 295 N CB 0.408 38.825 38.487 -0.116 0.000 1.062 295 N HN 0.559 nan 8.380 nan 0.000 0.471 296 D N 0.925 121.324 120.400 -0.002 0.000 2.371 296 D HA 0.029 4.670 4.640 0.002 0.000 0.242 296 D C -0.397 175.893 176.300 -0.016 0.000 1.218 296 D CA 0.001 54.014 54.000 0.022 0.000 0.945 296 D CB 0.671 41.520 40.800 0.082 0.000 1.137 296 D HN 0.269 nan 8.370 nan 0.000 0.464 297 E N 0.525 120.716 120.200 -0.015 0.000 2.344 297 E HA 0.108 4.459 4.350 0.002 0.000 0.270 297 E C -0.133 176.442 176.600 -0.042 0.000 1.021 297 E CA -0.056 56.323 56.400 -0.035 0.000 0.887 297 E CB 0.652 30.334 29.700 -0.028 0.000 0.997 297 E HN 0.356 nan 8.360 nan 0.000 0.429 298 M N 4.621 124.177 119.600 -0.072 0.000 2.239 298 M HA 0.209 4.690 4.480 0.002 0.000 0.348 298 M C -2.072 174.183 176.300 -0.074 0.000 1.239 298 M CA -1.381 53.864 55.300 -0.091 0.000 1.114 298 M CB 0.537 33.052 32.600 -0.141 0.000 1.641 298 M HN 0.226 nan 8.290 nan 0.000 0.453 299 P HA 0.029 nan 4.420 nan 0.000 0.266 299 P C -0.270 176.995 177.300 -0.059 0.000 1.193 299 P CA 0.096 63.167 63.100 -0.048 0.000 0.770 299 P CB 0.466 32.143 31.700 -0.037 0.000 0.836 300 A N 3.122 125.915 122.820 -0.045 0.000 1.842 300 A HA -0.148 4.173 4.320 0.002 0.000 0.217 300 A C 0.824 178.376 177.584 -0.054 0.000 1.206 300 A CA 1.624 53.633 52.037 -0.047 0.000 0.630 300 A CB -0.790 18.190 19.000 -0.033 0.000 0.839 300 A HN 0.569 nan 8.150 nan 0.000 0.447 301 D N 0.473 120.847 120.400 -0.044 0.000 2.590 301 D HA 0.401 5.042 4.640 0.002 0.000 0.280 301 D C -0.905 175.368 176.300 -0.045 0.000 1.197 301 D CA -0.049 53.925 54.000 -0.043 0.000 0.967 301 D CB 0.395 41.178 40.800 -0.029 0.000 0.987 301 D HN 0.252 nan 8.370 nan 0.000 0.508 302 L N 2.115 123.297 121.223 -0.068 0.000 2.360 302 L HA 0.249 4.590 4.340 0.002 0.000 0.276 302 L C -1.598 175.237 176.870 -0.060 0.000 1.121 302 L CA -1.395 53.401 54.840 -0.072 0.000 0.845 302 L CB -0.058 41.929 42.059 -0.120 0.000 1.143 302 L HN -0.068 nan 8.230 nan 0.000 0.452 303 P HA 0.075 nan 4.420 nan 0.000 0.273 303 P C -0.311 176.983 177.300 -0.011 0.000 1.250 303 P CA -0.468 62.625 63.100 -0.012 0.000 0.793 303 P CB 0.582 32.288 31.700 0.009 0.000 1.011 304 S N -0.250 115.457 115.700 0.012 0.000 2.572 304 S HA 0.113 4.584 4.470 0.002 0.000 0.279 304 S C 1.118 175.771 174.600 0.087 0.000 1.341 304 S CA -0.484 57.739 58.200 0.039 0.000 1.043 304 S CB -0.299 62.932 63.200 0.051 0.000 0.887 304 S HN 0.330 nan 8.310 nan 0.000 0.516 305 L N 3.626 124.939 121.223 0.149 0.000 2.599 305 L HA 0.124 4.465 4.340 0.002 0.000 0.230 305 L C 2.283 179.341 176.870 0.312 0.000 1.141 305 L CA 0.390 55.397 54.840 0.278 0.000 0.877 305 L CB -0.734 41.490 42.059 0.274 0.000 1.009 305 L HN 0.814 nan 8.230 nan 0.000 0.447 306 A N 0.679 123.581 122.820 0.137 0.000 1.873 306 A HA -0.113 4.208 4.320 0.002 0.000 0.215 306 A C 2.607 180.214 177.584 0.038 0.000 1.186 306 A CA 1.530 53.553 52.037 -0.023 0.000 0.616 306 A CB -0.432 18.530 19.000 -0.063 0.000 0.823 306 A HN 0.365 nan 8.150 nan 0.000 0.442 307 A N 0.099 122.956 122.820 0.062 0.000 1.908 307 A HA -0.218 4.103 4.320 0.002 0.000 0.218 307 A C 1.724 179.335 177.584 0.045 0.000 1.181 307 A CA 2.158 54.227 52.037 0.053 0.000 0.627 307 A CB -0.566 18.460 19.000 0.044 0.000 0.818 307 A HN 0.466 nan 8.150 nan 0.000 0.445 308 D N -1.831 118.583 120.400 0.023 0.000 2.183 308 D HA 0.064 4.705 4.640 0.002 0.000 0.205 308 D C 1.141 177.304 176.300 -0.227 0.000 0.962 308 D CA 0.926 54.832 54.000 -0.157 0.000 0.849 308 D CB -0.176 40.411 40.800 -0.355 0.000 0.978 308 D HN 0.506 nan 8.370 nan 0.000 0.488 309 F N -0.763 119.273 119.950 0.143 0.000 2.720 309 F HA 0.177 4.705 4.527 0.002 0.000 0.301 309 F C 1.765 177.634 175.800 0.116 0.000 1.103 309 F CA -0.101 58.023 58.000 0.207 0.000 1.291 309 F CB 0.857 39.988 39.000 0.218 0.000 1.086 309 F HN -0.147 nan 8.300 nan 0.000 0.592 310 V N -2.185 117.811 119.914 0.137 0.000 3.245 310 V HA 0.187 4.308 4.120 0.002 0.000 0.246 310 V C 1.349 177.521 176.094 0.129 0.000 1.487 310 V CA 0.608 62.952 62.300 0.073 0.000 1.154 310 V CB 0.386 32.117 31.823 -0.152 0.000 0.971 310 V HN 0.094 nan 8.190 nan 0.000 0.443 311 E N 0.974 121.230 120.200 0.093 0.000 2.140 311 E HA 0.123 4.474 4.350 0.002 0.000 0.191 311 E C 1.285 178.064 176.600 0.298 0.000 0.973 311 E CA 0.751 57.239 56.400 0.147 0.000 0.829 311 E CB 0.206 29.963 29.700 0.094 0.000 0.781 311 E HN 0.556 nan 8.360 nan 0.000 0.466 312 S N 0.567 116.392 115.700 0.207 0.000 2.580 312 S HA -0.066 4.405 4.470 0.002 0.000 0.261 312 S C 0.857 175.630 174.600 0.288 0.000 1.366 312 S CA 0.200 58.512 58.200 0.188 0.000 0.996 312 S CB 0.487 63.751 63.200 0.105 0.000 0.902 312 S HN 0.183 nan 8.310 nan 0.000 0.566 313 K N 0.565 121.073 120.400 0.179 0.000 2.358 313 K HA 0.271 4.592 4.320 0.002 0.000 0.200 313 K C -0.182 176.492 176.600 0.123 0.000 1.030 313 K CA -0.103 56.285 56.287 0.169 0.000 1.097 313 K CB 0.184 32.699 32.500 0.025 0.000 0.862 313 K HN 0.338 nan 8.250 nan 0.000 0.534 314 D N 1.255 121.707 120.400 0.087 0.000 2.339 314 D HA 0.012 4.653 4.640 0.002 0.000 0.217 314 D C 1.647 177.944 176.300 -0.004 0.000 1.050 314 D CA 0.018 54.040 54.000 0.038 0.000 0.856 314 D CB 0.280 41.092 40.800 0.020 0.000 0.922 314 D HN -0.113 nan 8.370 nan 0.000 0.518 315 V N 0.467 120.393 119.914 0.021 0.000 2.250 315 V HA -0.385 3.736 4.120 0.002 0.000 0.253 315 V C 2.476 178.433 176.094 -0.228 0.000 1.065 315 V CA 1.709 63.950 62.300 -0.097 0.000 1.039 315 V CB -0.577 31.166 31.823 -0.134 0.000 0.647 315 V HN 0.364 nan 8.190 nan 0.000 0.446 316 c N -0.739 117.813 118.600 -0.081 0.000 2.425 316 c HA -0.155 4.416 4.570 0.002 0.000 0.277 316 c C 2.776 176.841 174.090 -0.041 0.000 1.280 316 c CA 1.446 57.758 56.329 -0.028 0.000 1.744 316 c CB -0.961 41.589 42.510 0.066 0.000 1.989 316 c HN 0.630 nan 8.230 nan 0.000 0.491 317 K N 1.115 121.482 120.400 -0.056 0.000 2.025 317 K HA -0.124 4.197 4.320 0.002 0.000 0.207 317 K C 1.690 178.218 176.600 -0.120 0.000 1.049 317 K CA 1.664 57.913 56.287 -0.063 0.000 0.933 317 K CB -0.379 32.102 32.500 -0.033 0.000 0.714 317 K HN 0.596 nan 8.250 nan 0.000 0.438 318 N N -0.612 117.974 118.700 -0.190 0.000 2.149 318 N HA -0.216 4.525 4.740 0.002 0.000 0.188 318 N C 1.772 177.053 175.510 -0.382 0.000 1.019 318 N CA 1.168 54.075 53.050 -0.238 0.000 0.857 318 N CB -0.196 38.162 38.487 -0.215 0.000 0.997 318 N HN 0.222 nan 8.380 nan 0.000 0.426 319 Y N 1.803 121.618 120.300 -0.807 0.000 2.133 319 Y HA -0.076 4.475 4.550 0.002 0.000 0.287 319 Y C 2.347 178.123 175.900 -0.207 0.000 1.134 319 Y CA 1.361 59.083 58.100 -0.629 0.000 1.133 319 Y CB -0.686 37.422 38.460 -0.587 0.000 0.987 319 Y HN 0.003 nan 8.280 nan 0.000 0.502 320 A N 0.283 122.931 122.820 -0.287 0.000 2.019 320 A HA -0.176 4.145 4.320 0.002 0.000 0.219 320 A C 2.055 179.523 177.584 -0.192 0.000 1.164 320 A CA 1.669 53.529 52.037 -0.294 0.000 0.644 320 A CB -0.732 18.185 19.000 -0.137 0.000 0.805 320 A HN 0.669 nan 8.150 nan 0.000 0.449 321 E N -0.798 119.326 120.200 -0.127 0.000 2.118 321 E HA 0.011 4.362 4.350 0.002 0.000 0.195 321 E C 0.518 177.088 176.600 -0.050 0.000 0.992 321 E CA 0.956 57.317 56.400 -0.064 0.000 0.804 321 E CB -0.129 29.556 29.700 -0.026 0.000 0.741 321 E HN 0.580 nan 8.360 nan 0.000 0.458 322 A N 0.245 123.030 122.820 -0.058 0.000 2.599 322 A HA 0.185 4.506 4.320 0.002 0.000 0.300 322 A C 0.138 177.733 177.584 0.019 0.000 1.151 322 A CA -0.606 51.429 52.037 -0.004 0.000 0.883 322 A CB 0.602 19.645 19.000 0.071 0.000 1.480 322 A HN -0.049 nan 8.150 nan 0.000 0.401 323 K N 0.383 120.714 120.400 -0.116 0.000 2.057 323 K HA -0.140 4.181 4.320 0.002 0.000 0.207 323 K C 0.585 177.314 176.600 0.215 0.000 1.049 323 K CA 1.839 58.036 56.287 -0.148 0.000 0.931 323 K CB 0.097 32.351 32.500 -0.409 0.000 0.714 323 K HN 0.623 nan 8.250 nan 0.000 0.440 324 D N 0.419 120.919 120.400 0.167 0.000 2.224 324 D HA -0.076 4.565 4.640 0.002 0.000 0.205 324 D C 1.885 178.345 176.300 0.267 0.000 0.965 324 D CA 0.550 54.679 54.000 0.216 0.000 0.852 324 D CB -0.022 40.874 40.800 0.159 0.000 0.947 324 D HN -0.090 nan 8.370 nan 0.000 0.494 325 V N 0.458 120.532 119.914 0.267 0.000 2.358 325 V HA -0.198 3.923 4.120 0.002 0.000 0.246 325 V C 2.036 178.339 176.094 0.347 0.000 1.047 325 V CA 1.111 63.599 62.300 0.314 0.000 1.035 325 V CB -0.413 31.573 31.823 0.272 0.000 0.658 325 V HN 0.102 nan 8.190 nan 0.000 0.452 326 F N 0.027 120.127 119.950 0.250 0.000 2.163 326 F HA -0.074 4.454 4.527 0.002 0.000 0.297 326 F C 2.002 178.048 175.800 0.411 0.000 1.094 326 F CA 1.498 59.693 58.000 0.325 0.000 1.290 326 F CB -0.072 39.160 39.000 0.387 0.000 1.017 326 F HN 0.014 nan 8.300 nan 0.000 0.483 327 L N -0.697 120.814 121.223 0.480 0.000 2.156 327 L HA -0.066 4.275 4.340 0.002 0.000 0.208 327 L C 2.698 179.739 176.870 0.285 0.000 1.095 327 L CA 1.068 56.128 54.840 0.366 0.000 0.770 327 L CB -1.386 40.886 42.059 0.355 0.000 0.914 327 L HN 0.285 nan 8.230 nan 0.000 0.439 328 G N -0.185 108.781 108.800 0.276 0.000 2.404 328 G HA2 -0.233 3.728 3.960 0.002 0.000 0.215 328 G HA3 -0.233 3.728 3.960 0.002 0.000 0.215 328 G C 1.644 176.642 174.900 0.164 0.000 1.174 328 G CA 0.452 45.733 45.100 0.302 0.000 0.780 328 G HN 0.154 nan 8.290 nan 0.000 0.537 329 M N -0.372 119.133 119.600 -0.159 0.000 2.108 329 M HA 0.004 4.485 4.480 0.002 0.000 0.261 329 M C 2.342 178.578 176.300 -0.108 0.000 1.066 329 M CA 1.336 56.347 55.300 -0.482 0.000 1.107 329 M CB -0.441 31.899 32.600 -0.434 0.000 1.356 329 M HN 0.299 nan 8.290 nan 0.000 0.406 330 F N 1.069 120.855 119.950 -0.273 0.000 2.134 330 F HA -0.235 4.293 4.527 0.002 0.000 0.299 330 F C 1.969 177.551 175.800 -0.363 0.000 1.097 330 F CA 1.346 58.950 58.000 -0.659 0.000 1.264 330 F CB -0.179 38.376 39.000 -0.741 0.000 1.001 330 F HN -0.006 nan 8.300 nan 0.000 0.479 331 L N -0.257 120.914 121.223 -0.085 0.000 2.109 331 L HA -0.144 4.197 4.340 0.002 0.000 0.207 331 L C 2.222 179.027 176.870 -0.107 0.000 1.086 331 L CA 1.792 56.561 54.840 -0.118 0.000 0.760 331 L CB -1.410 40.689 42.059 0.067 0.000 0.910 331 L HN 0.405 nan 8.230 nan 0.000 0.437 332 Y N 0.236 120.472 120.300 -0.105 0.000 2.181 332 Y HA -0.214 4.337 4.550 0.002 0.000 0.288 332 Y C 2.311 178.131 175.900 -0.134 0.000 1.146 332 Y CA 2.026 60.102 58.100 -0.041 0.000 1.164 332 Y CB -0.112 38.422 38.460 0.123 0.000 0.982 332 Y HN 0.251 nan 8.280 nan 0.000 0.515 333 E N -0.726 119.243 120.200 -0.385 0.000 2.072 333 E HA -0.219 4.132 4.350 0.002 0.000 0.191 333 E C 2.084 178.391 176.600 -0.489 0.000 0.985 333 E CA 1.409 57.514 56.400 -0.492 0.000 0.801 333 E CB -0.813 28.703 29.700 -0.307 0.000 0.750 333 E HN 0.648 nan 8.360 nan 0.000 0.452 334 Y N 1.019 120.937 120.300 -0.636 0.000 2.220 334 Y HA -0.126 4.425 4.550 0.001 0.000 0.291 334 Y C 2.376 178.055 175.900 -0.368 0.000 1.129 334 Y CA 1.401 59.168 58.100 -0.556 0.000 1.161 334 Y CB -0.108 37.853 38.460 -0.833 0.000 0.997 334 Y HN 0.034 nan 8.280 nan 0.000 0.522 335 A N 0.937 123.648 122.820 -0.181 0.000 1.902 335 A HA -0.230 4.091 4.320 0.002 0.000 0.217 335 A C 2.158 179.594 177.584 -0.248 0.000 1.181 335 A CA 1.941 53.874 52.037 -0.174 0.000 0.623 335 A CB -0.728 18.172 19.000 -0.167 0.000 0.818 335 A HN 0.615 nan 8.150 nan 0.000 0.443 336 R N -0.650 119.646 120.500 -0.341 0.000 2.237 336 R HA 0.011 4.352 4.340 0.002 0.000 0.219 336 R C 1.585 177.673 176.300 -0.353 0.000 1.080 336 R CA 1.369 57.263 56.100 -0.342 0.000 0.995 336 R CB -0.284 29.759 30.300 -0.429 0.000 0.875 336 R HN 0.413 nan 8.270 nan 0.000 0.462 337 R N -0.176 120.064 120.500 -0.432 0.000 2.317 337 R HA 0.143 4.484 4.340 0.002 0.000 0.208 337 R C -0.031 175.762 176.300 -0.845 0.000 0.914 337 R CA 0.244 55.994 56.100 -0.583 0.000 1.060 337 R CB 0.366 30.271 30.300 -0.659 0.000 1.015 337 R HN 0.321 nan 8.270 nan 0.000 0.498 338 H N -0.231 118.578 119.070 -0.435 0.000 2.380 338 H HA 0.182 4.739 4.556 0.001 0.000 0.231 338 H C -2.127 172.985 175.328 -0.359 0.000 1.415 338 H CA -1.912 53.814 56.048 -0.537 0.000 1.433 338 H CB 1.497 30.706 29.762 -0.922 0.000 1.544 338 H HN -0.030 nan 8.280 nan 0.000 0.503 339 P HA -0.087 nan 4.420 nan 0.000 0.230 339 P C 1.148 178.398 177.300 -0.082 0.000 1.158 339 P CA 0.830 63.844 63.100 -0.144 0.000 0.769 339 P CB 0.329 31.939 31.700 -0.151 0.000 0.807 340 D N -2.696 117.667 120.400 -0.062 0.000 2.340 340 D HA -0.086 4.555 4.640 0.002 0.000 0.220 340 D C 0.128 176.576 176.300 0.246 0.000 1.039 340 D CA 0.208 54.237 54.000 0.049 0.000 0.866 340 D CB -0.500 40.335 40.800 0.058 0.000 0.913 340 D HN 0.099 nan 8.370 nan 0.000 0.523 341 Y N 1.637 121.923 120.300 -0.023 0.000 2.387 341 Y HA 0.347 4.897 4.550 0.001 0.000 0.330 341 Y C 1.103 176.958 175.900 -0.076 0.000 1.133 341 Y CA -2.563 55.500 58.100 -0.061 0.000 1.152 341 Y CB 1.361 39.765 38.460 -0.093 0.000 1.215 341 Y HN -0.127 nan 8.280 nan 0.000 0.466 342 S N 0.480 116.219 115.700 0.065 0.000 2.585 342 S HA 0.125 4.596 4.470 0.002 0.000 0.273 342 S C 1.137 175.731 174.600 -0.010 0.000 1.339 342 S CA -0.300 57.905 58.200 0.007 0.000 1.028 342 S CB 1.187 64.380 63.200 -0.013 0.000 0.906 342 S HN 0.669 nan 8.310 nan 0.000 0.528 343 V N 3.425 123.318 119.914 -0.034 0.000 2.407 343 V HA -0.164 3.957 4.120 0.002 0.000 0.248 343 V C 2.152 178.223 176.094 -0.039 0.000 1.055 343 V CA 2.430 64.686 62.300 -0.073 0.000 1.049 343 V CB -0.994 30.730 31.823 -0.164 0.000 0.662 343 V HN 0.939 nan 8.190 nan 0.000 0.455 344 V N -0.924 118.985 119.914 -0.009 0.000 2.407 344 V HA -0.195 3.926 4.120 0.002 0.000 0.248 344 V C 2.484 178.532 176.094 -0.076 0.000 1.055 344 V CA 2.262 64.546 62.300 -0.027 0.000 1.049 344 V CB -1.370 30.438 31.823 -0.024 0.000 0.662 344 V HN 0.558 nan 8.190 nan 0.000 0.455 345 L N 0.024 121.186 121.223 -0.100 0.000 2.046 345 L HA -0.028 4.313 4.340 0.002 0.000 0.208 345 L C 2.299 179.049 176.870 -0.201 0.000 1.077 345 L CA 1.842 56.578 54.840 -0.173 0.000 0.747 345 L CB -0.689 41.221 42.059 -0.249 0.000 0.896 345 L HN 0.281 nan 8.230 nan 0.000 0.432 346 L N -1.143 119.998 121.223 -0.137 0.000 2.046 346 L HA -0.227 4.114 4.340 0.002 0.000 0.208 346 L C 2.490 179.249 176.870 -0.186 0.000 1.077 346 L CA 1.367 56.106 54.840 -0.169 0.000 0.747 346 L CB -0.498 41.500 42.059 -0.102 0.000 0.896 346 L HN 0.296 nan 8.230 nan 0.000 0.432 347 L N -1.011 120.141 121.223 -0.118 0.000 2.083 347 L HA -0.193 4.148 4.340 0.002 0.000 0.209 347 L C 2.767 179.583 176.870 -0.090 0.000 1.083 347 L CA 1.102 55.896 54.840 -0.075 0.000 0.752 347 L CB -0.536 41.501 42.059 -0.038 0.000 0.899 347 L HN 0.194 nan 8.230 nan 0.000 0.433 348 R N 0.024 120.450 120.500 -0.123 0.000 2.096 348 R HA -0.109 4.232 4.340 0.002 0.000 0.235 348 R C 2.261 178.459 176.300 -0.170 0.000 1.127 348 R CA 1.152 57.178 56.100 -0.124 0.000 0.968 348 R CB -0.312 29.911 30.300 -0.128 0.000 0.861 348 R HN 0.377 nan 8.270 nan 0.000 0.440 349 L N -0.212 120.821 121.223 -0.317 0.000 2.044 349 L HA -0.083 4.258 4.340 0.002 0.000 0.205 349 L C 2.706 179.396 176.870 -0.299 0.000 1.075 349 L CA 1.158 55.651 54.840 -0.579 0.000 0.747 349 L CB -0.707 40.676 42.059 -1.126 0.000 0.903 349 L HN 0.188 nan 8.230 nan 0.000 0.435 350 A N 0.257 123.008 122.820 -0.115 0.000 1.940 350 A HA -0.218 4.103 4.320 0.002 0.000 0.219 350 A C 2.334 179.937 177.584 0.030 0.000 1.176 350 A CA 1.693 53.783 52.037 0.088 0.000 0.631 350 A CB -0.358 18.735 19.000 0.156 0.000 0.814 350 A HN 0.331 nan 8.150 nan 0.000 0.446 351 K N -1.124 119.280 120.400 0.006 0.000 2.155 351 K HA -0.057 4.264 4.320 0.002 0.000 0.203 351 K C 1.983 178.596 176.600 0.022 0.000 1.052 351 K CA 1.496 57.793 56.287 0.016 0.000 0.948 351 K CB -0.283 32.220 32.500 0.005 0.000 0.728 351 K HN 0.456 nan 8.250 nan 0.000 0.448 352 T N 0.524 115.104 114.554 0.043 0.000 2.821 352 T HA -0.168 4.183 4.350 0.002 0.000 0.267 352 T C 1.495 176.273 174.700 0.130 0.000 1.046 352 T CA 1.079 63.242 62.100 0.105 0.000 1.139 352 T CB -0.291 68.694 68.868 0.196 0.000 0.871 352 T HN 0.253 nan 8.240 nan 0.000 0.454 353 Y N 1.960 122.252 120.300 -0.013 0.000 2.133 353 Y HA -0.073 4.478 4.550 0.002 0.000 0.287 353 Y C 2.518 178.301 175.900 -0.195 0.000 1.134 353 Y CA 1.655 59.675 58.100 -0.133 0.000 1.133 353 Y CB -0.429 37.726 38.460 -0.509 0.000 0.987 353 Y HN 0.261 nan 8.280 nan 0.000 0.502 354 E N -0.705 119.357 120.200 -0.230 0.000 2.065 354 E HA -0.259 4.092 4.350 0.002 0.000 0.201 354 E C 1.952 178.447 176.600 -0.176 0.000 1.016 354 E CA 2.401 58.666 56.400 -0.224 0.000 0.818 354 E CB -0.313 29.377 29.700 -0.017 0.000 0.749 354 E HN 0.498 nan 8.360 nan 0.000 0.453 355 T N 0.002 114.505 114.554 -0.084 0.000 2.720 355 T HA -0.152 4.199 4.350 0.002 0.000 0.268 355 T C 1.854 176.507 174.700 -0.078 0.000 1.037 355 T CA 1.858 63.929 62.100 -0.047 0.000 1.144 355 T CB -0.472 68.390 68.868 -0.010 0.000 0.864 355 T HN 0.283 nan 8.240 nan 0.000 0.444 356 T N 2.078 116.559 114.554 -0.122 0.000 2.904 356 T HA 0.136 4.487 4.350 0.002 0.000 0.267 356 T C 1.944 176.533 174.700 -0.186 0.000 1.059 356 T CA 0.643 62.672 62.100 -0.118 0.000 1.137 356 T CB -0.244 68.574 68.868 -0.084 0.000 0.879 356 T HN 0.271 nan 8.240 nan 0.000 0.467 357 L N 0.617 121.607 121.223 -0.389 0.000 2.109 357 L HA -0.005 4.336 4.340 0.002 0.000 0.207 357 L C 2.861 179.626 176.870 -0.176 0.000 1.086 357 L CA 0.992 55.567 54.840 -0.442 0.000 0.760 357 L CB -0.495 40.982 42.059 -0.969 0.000 0.910 357 L HN 0.161 nan 8.230 nan 0.000 0.437 358 E N 0.706 120.849 120.200 -0.095 0.000 2.058 358 E HA -0.278 4.074 4.350 0.002 0.000 0.194 358 E C 2.058 178.671 176.600 0.021 0.000 0.997 358 E CA 1.457 57.878 56.400 0.036 0.000 0.801 358 E CB -0.085 29.642 29.700 0.046 0.000 0.746 358 E HN 0.420 nan 8.360 nan 0.000 0.450 359 K N 0.383 120.781 120.400 -0.003 0.000 2.025 359 K HA -0.088 4.233 4.320 0.002 0.000 0.207 359 K C 2.289 178.901 176.600 0.020 0.000 1.049 359 K CA 1.617 57.908 56.287 0.008 0.000 0.933 359 K CB -0.182 32.318 32.500 0.001 0.000 0.714 359 K HN 0.071 nan 8.250 nan 0.000 0.438 360 c N 0.511 119.127 118.600 0.028 0.000 2.457 360 c HA -0.001 4.570 4.570 0.002 0.000 0.278 360 c C 2.641 176.786 174.090 0.092 0.000 1.309 360 c CA 0.243 56.615 56.329 0.072 0.000 1.735 360 c CB -0.749 41.857 42.510 0.160 0.000 1.992 360 c HN 0.660 nan 8.230 nan 0.000 0.493 361 c N 1.063 119.716 118.600 0.087 0.000 2.466 361 c HA 0.127 4.698 4.570 0.002 0.000 0.283 361 c C 2.591 176.720 174.090 0.065 0.000 1.472 361 c CA 0.952 57.338 56.329 0.095 0.000 1.765 361 c CB -1.851 40.715 42.510 0.095 0.000 1.724 361 c HN 0.716 nan 8.230 nan 0.000 0.560 362 A N -0.091 122.759 122.820 0.050 0.000 2.252 362 A HA 0.616 4.937 4.320 0.002 0.000 0.213 362 A C 1.276 178.875 177.584 0.025 0.000 1.188 362 A CA 0.692 52.749 52.037 0.034 0.000 0.863 362 A CB -0.178 18.839 19.000 0.029 0.000 0.893 362 A HN 0.463 nan 8.150 nan 0.000 0.495 363 A N -0.791 122.044 122.820 0.025 0.000 2.280 363 A HA 0.617 4.938 4.320 0.002 0.000 0.268 363 A C 1.597 179.187 177.584 0.010 0.000 1.111 363 A CA 0.280 52.325 52.037 0.013 0.000 0.814 363 A CB -0.044 18.960 19.000 0.007 0.000 1.093 363 A HN 1.006 nan 8.150 nan 0.000 0.498 364 A N -0.954 121.867 122.820 0.001 0.000 1.929 364 A HA 0.114 4.435 4.320 0.002 0.000 0.216 364 A C 0.738 178.319 177.584 -0.006 0.000 1.176 364 A CA 1.956 53.992 52.037 -0.002 0.000 0.628 364 A CB -0.171 18.825 19.000 -0.005 0.000 0.816 364 A HN 0.730 nan 8.150 nan 0.000 0.444 365 D N -1.989 118.401 120.400 -0.016 0.000 2.378 365 D HA 0.376 5.017 4.640 0.002 0.000 0.265 365 D C -2.226 174.037 176.300 -0.061 0.000 1.229 365 D CA -1.968 52.015 54.000 -0.029 0.000 0.914 365 D CB 1.196 41.976 40.800 -0.033 0.000 1.140 365 D HN -0.054 nan 8.370 nan 0.000 0.516 366 P HA -0.174 nan 4.420 nan 0.000 0.215 366 P C 1.385 178.358 177.300 -0.546 0.000 1.153 366 P CA 0.909 63.961 63.100 -0.080 0.000 0.853 366 P CB 0.060 31.848 31.700 0.147 0.000 0.788 367 H N 0.183 118.897 119.070 -0.593 0.000 2.319 367 H HA -0.211 4.346 4.556 0.002 0.000 0.297 367 H C 1.992 176.913 175.328 -0.678 0.000 1.097 367 H CA 2.315 57.857 56.048 -0.843 0.000 1.285 367 H CB -0.144 29.434 29.762 -0.307 0.000 1.368 367 H HN 0.052 nan 8.280 nan 0.000 0.495 368 E N 0.456 120.507 120.200 -0.248 0.000 2.110 368 E HA -0.136 4.215 4.350 0.002 0.000 0.193 368 E C 2.649 179.114 176.600 -0.225 0.000 0.988 368 E CA 1.355 57.647 56.400 -0.180 0.000 0.804 368 E CB -0.997 28.655 29.700 -0.079 0.000 0.745 368 E HN 0.408 nan 8.360 nan 0.000 0.458 369 c N 0.436 118.892 118.600 -0.240 0.000 2.446 369 c HA -0.091 4.480 4.570 0.002 0.000 0.277 369 c C 2.395 176.422 174.090 -0.104 0.000 1.275 369 c CA 1.101 57.348 56.329 -0.137 0.000 1.727 369 c CB -1.363 41.105 42.510 -0.070 0.000 2.010 369 c HN 0.696 nan 8.230 nan 0.000 0.486 370 Y N 0.466 120.719 120.300 -0.079 0.000 2.468 370 Y HA 0.601 5.151 4.550 0.001 0.000 0.268 370 Y C 1.805 177.632 175.900 -0.123 0.000 1.177 370 Y CA 0.052 58.097 58.100 -0.091 0.000 1.265 370 Y CB -1.452 36.953 38.460 -0.091 0.000 1.103 370 Y HN 0.165 nan 8.280 nan 0.000 0.522 371 A N 2.172 124.882 122.820 -0.184 0.000 2.076 371 A HA -0.153 4.168 4.320 0.002 0.000 0.220 371 A C 1.811 179.353 177.584 -0.070 0.000 1.160 371 A CA 1.592 53.523 52.037 -0.176 0.000 0.653 371 A CB -0.450 18.413 19.000 -0.228 0.000 0.801 371 A HN 0.570 nan 8.150 nan 0.000 0.455 372 K N -0.160 120.221 120.400 -0.032 0.000 2.618 372 K HA 0.331 4.652 4.320 0.002 0.000 0.207 372 K C 0.642 177.235 176.600 -0.013 0.000 1.058 372 K CA 0.459 56.732 56.287 -0.023 0.000 1.086 372 K CB 0.068 32.554 32.500 -0.023 0.000 0.827 372 K HN 0.147 nan 8.250 nan 0.000 0.481 373 V N -0.267 119.658 119.914 0.018 0.000 2.287 373 V HA -0.237 3.884 4.120 0.002 0.000 0.248 373 V C 1.841 177.808 176.094 -0.212 0.000 1.053 373 V CA 1.441 63.739 62.300 -0.004 0.000 1.027 373 V CB -0.990 30.938 31.823 0.175 0.000 0.646 373 V HN 0.177 nan 8.190 nan 0.000 0.447 374 F N 1.218 120.898 119.950 -0.450 0.000 2.307 374 F HA -0.100 4.428 4.527 0.002 0.000 0.301 374 F C 2.060 177.616 175.800 -0.405 0.000 1.076 374 F CA 1.081 58.703 58.000 -0.631 0.000 1.383 374 F CB -1.091 37.822 39.000 -0.144 0.000 1.055 374 F HN 0.256 nan 8.300 nan 0.000 0.526 375 D N -0.157 120.212 120.400 -0.052 0.000 2.219 375 D HA -0.130 4.511 4.640 0.002 0.000 0.205 375 D C 2.033 178.313 176.300 -0.033 0.000 0.970 375 D CA 0.921 54.913 54.000 -0.015 0.000 0.851 375 D CB -0.270 40.531 40.800 0.002 0.000 0.943 375 D HN 0.354 nan 8.370 nan 0.000 0.488 376 E N -0.611 119.527 120.200 -0.103 0.000 2.268 376 E HA -0.115 4.236 4.350 0.002 0.000 0.195 376 E C 1.337 178.017 176.600 0.133 0.000 0.995 376 E CA 0.375 56.770 56.400 -0.007 0.000 0.836 376 E CB -0.018 29.683 29.700 0.003 0.000 0.763 376 E HN 0.287 nan 8.360 nan 0.000 0.491 377 F N 1.448 121.402 119.950 0.006 0.000 2.259 377 F HA -0.039 4.489 4.527 0.001 0.000 0.298 377 F C 1.912 177.676 175.800 -0.061 0.000 1.088 377 F CA 0.672 58.634 58.000 -0.063 0.000 1.358 377 F CB -0.590 38.339 39.000 -0.118 0.000 1.040 377 F HN -0.097 nan 8.300 nan 0.000 0.505 378 K N 0.164 120.658 120.400 0.156 0.000 2.009 378 K HA -0.167 4.154 4.320 0.002 0.000 0.210 378 K C -0.353 176.268 176.600 0.034 0.000 1.049 378 K CA 1.761 58.097 56.287 0.083 0.000 0.929 378 K CB -1.735 30.809 32.500 0.072 0.000 0.714 378 K HN 0.199 nan 8.250 nan 0.000 0.440 379 P HA -0.158 nan 4.420 nan 0.000 0.216 379 P C 1.226 178.518 177.300 -0.014 0.000 1.150 379 P CA 1.246 64.352 63.100 0.010 0.000 0.837 379 P CB -0.002 31.708 31.700 0.017 0.000 0.786 380 L N -1.616 119.600 121.223 -0.011 0.000 2.156 380 L HA -0.094 4.247 4.340 0.002 0.000 0.208 380 L C 2.334 179.119 176.870 -0.142 0.000 1.095 380 L CA 0.992 55.794 54.840 -0.064 0.000 0.770 380 L CB -0.861 41.163 42.059 -0.058 0.000 0.914 380 L HN -0.139 nan 8.230 nan 0.000 0.439 381 V N -0.291 119.525 119.914 -0.164 0.000 2.453 381 V HA -0.211 3.910 4.120 0.002 0.000 0.247 381 V C 2.278 178.263 176.094 -0.182 0.000 1.048 381 V CA 1.562 63.693 62.300 -0.282 0.000 1.049 381 V CB -0.276 31.385 31.823 -0.269 0.000 0.672 381 V HN 0.424 nan 8.190 nan 0.000 0.457 382 E N -0.527 119.617 120.200 -0.093 0.000 2.158 382 E HA -0.171 4.180 4.350 0.002 0.000 0.191 382 E C 2.305 178.876 176.600 -0.047 0.000 0.982 382 E CA 0.615 56.983 56.400 -0.053 0.000 0.823 382 E CB -0.048 29.640 29.700 -0.021 0.000 0.766 382 E HN 0.510 nan 8.360 nan 0.000 0.468 383 E N 0.820 120.989 120.200 -0.052 0.000 2.049 383 E HA -0.168 4.183 4.350 0.002 0.000 0.198 383 E C -0.735 175.843 176.600 -0.037 0.000 1.007 383 E CA 1.523 57.901 56.400 -0.037 0.000 0.809 383 E CB -0.806 28.871 29.700 -0.038 0.000 0.749 383 E HN 0.187 nan 8.360 nan 0.000 0.450 384 P HA -0.085 nan 4.420 nan 0.000 0.217 384 P C 1.328 178.608 177.300 -0.034 0.000 1.151 384 P CA 1.329 64.399 63.100 -0.051 0.000 0.828 384 P CB -0.124 31.522 31.700 -0.091 0.000 0.788 385 Q N -0.350 119.422 119.800 -0.046 0.000 2.050 385 Q HA -0.179 4.162 4.340 0.002 0.000 0.202 385 Q C 2.018 178.018 176.000 0.000 0.000 0.980 385 Q CA 1.694 57.484 55.803 -0.020 0.000 0.840 385 Q CB -0.682 28.043 28.738 -0.023 0.000 0.898 385 Q HN 0.435 nan 8.270 nan 0.000 0.424 386 N N 0.466 119.166 118.700 -0.000 0.000 2.084 386 N HA -0.168 4.573 4.740 0.002 0.000 0.190 386 N C 1.832 177.356 175.510 0.023 0.000 1.030 386 N CA 0.743 53.800 53.050 0.012 0.000 0.849 386 N CB -0.135 38.357 38.487 0.009 0.000 1.012 386 N HN 0.079 nan 8.380 nan 0.000 0.423 387 L N 1.400 122.636 121.223 0.022 0.000 2.013 387 L HA -0.165 4.176 4.340 0.002 0.000 0.212 387 L C 1.862 178.766 176.870 0.056 0.000 1.073 387 L CA 1.589 56.453 54.840 0.040 0.000 0.753 387 L CB -0.265 41.815 42.059 0.036 0.000 0.890 387 L HN 0.202 nan 8.230 nan 0.000 0.432 388 I N -0.856 119.740 120.570 0.044 0.000 2.286 388 I HA -0.261 3.910 4.170 0.002 0.000 0.245 388 I C 2.543 178.688 176.117 0.046 0.000 1.104 388 I CA 1.320 62.649 61.300 0.049 0.000 1.397 388 I CB -0.457 37.563 38.000 0.034 0.000 1.072 388 I HN 0.264 nan 8.210 nan 0.000 0.417 389 K N 1.009 121.431 120.400 0.037 0.000 2.044 389 K HA -0.299 4.022 4.320 0.002 0.000 0.210 389 K C 2.271 178.897 176.600 0.043 0.000 1.049 389 K CA 1.889 58.197 56.287 0.035 0.000 0.927 389 K CB -0.141 32.376 32.500 0.028 0.000 0.713 389 K HN 0.309 nan 8.250 nan 0.000 0.443 390 Q N 0.175 120.006 119.800 0.052 0.000 2.046 390 Q HA -0.145 4.196 4.340 0.002 0.000 0.200 390 Q C 1.799 177.855 176.000 0.094 0.000 0.975 390 Q CA 1.362 57.203 55.803 0.064 0.000 0.836 390 Q CB -0.041 28.735 28.738 0.063 0.000 0.896 390 Q HN 0.418 nan 8.270 nan 0.000 0.428 391 N N -0.073 118.700 118.700 0.121 0.000 2.166 391 N HA -0.138 4.603 4.740 0.002 0.000 0.186 391 N C 1.842 177.401 175.510 0.083 0.000 1.019 391 N CA 1.283 54.454 53.050 0.200 0.000 0.856 391 N CB -0.132 38.519 38.487 0.273 0.000 0.993 391 N HN 0.344 nan 8.380 nan 0.000 0.426 392 c N 1.118 119.740 118.600 0.037 0.000 2.457 392 c HA -0.000 4.571 4.570 0.002 0.000 0.278 392 c C 2.513 176.630 174.090 0.045 0.000 1.309 392 c CA 0.199 56.535 56.329 0.013 0.000 1.735 392 c CB -0.750 41.771 42.510 0.019 0.000 1.992 392 c HN 0.482 nan 8.230 nan 0.000 0.493 393 E N 0.492 120.715 120.200 0.038 0.000 2.038 393 E HA -0.271 4.080 4.350 0.002 0.000 0.195 393 E C 2.000 178.607 176.600 0.012 0.000 1.000 393 E CA 1.288 57.703 56.400 0.025 0.000 0.803 393 E CB -0.351 29.369 29.700 0.032 0.000 0.750 393 E HN 0.479 nan 8.360 nan 0.000 0.448 394 L N 0.662 121.913 121.223 0.047 0.000 2.013 394 L HA -0.209 4.132 4.340 0.002 0.000 0.212 394 L C 2.244 179.101 176.870 -0.022 0.000 1.073 394 L CA 1.641 56.527 54.840 0.076 0.000 0.753 394 L CB -0.551 41.641 42.059 0.221 0.000 0.890 394 L HN 0.134 nan 8.230 nan 0.000 0.432 395 F N 0.666 120.360 119.950 -0.427 0.000 2.126 395 F HA -0.241 4.287 4.527 0.003 0.000 0.299 395 F C 2.283 177.902 175.800 -0.301 0.000 1.096 395 F CA 2.127 59.687 58.000 -0.732 0.000 1.255 395 F CB -0.419 37.952 39.000 -1.048 0.000 0.997 395 F HN 0.248 nan 8.300 nan 0.000 0.479 396 E N -0.265 119.724 120.200 -0.351 0.000 2.268 396 E HA -0.232 4.119 4.350 0.002 0.000 0.195 396 E C 1.971 178.402 176.600 -0.282 0.000 0.995 396 E CA 1.259 57.434 56.400 -0.376 0.000 0.836 396 E CB -0.231 29.397 29.700 -0.120 0.000 0.763 396 E HN 0.733 nan 8.360 nan 0.000 0.491 397 Q N -0.522 119.167 119.800 -0.185 0.000 2.396 397 Q HA 0.033 4.374 4.340 0.002 0.000 0.209 397 Q C 1.600 177.539 176.000 -0.103 0.000 0.906 397 Q CA 0.237 55.973 55.803 -0.112 0.000 0.927 397 Q CB 0.240 28.948 28.738 -0.049 0.000 1.069 397 Q HN 0.102 nan 8.270 nan 0.000 0.523 398 L N 0.455 121.603 121.223 -0.125 0.000 2.357 398 L HA 0.324 4.665 4.340 0.002 0.000 0.211 398 L C 0.976 177.792 176.870 -0.090 0.000 1.075 398 L CA 1.666 56.477 54.840 -0.048 0.000 0.830 398 L CB -0.335 41.771 42.059 0.078 0.000 0.996 398 L HN 0.418 nan 8.230 nan 0.000 0.467 399 G N -0.230 108.398 108.800 -0.286 0.000 2.787 399 G HA2 -0.292 3.669 3.960 0.002 0.000 0.685 399 G HA3 -0.292 3.669 3.960 0.002 0.000 0.685 399 G C 0.617 175.502 174.900 -0.026 0.000 1.437 399 G CA 0.228 45.160 45.100 -0.279 0.000 0.872 399 G HN 0.277 nan 8.290 nan 0.000 0.566 400 E N -0.396 119.883 120.200 0.133 0.000 2.038 400 E HA -0.233 4.118 4.350 0.002 0.000 0.195 400 E C 2.072 178.890 176.600 0.363 0.000 1.000 400 E CA 2.045 58.683 56.400 0.397 0.000 0.803 400 E CB -0.216 29.708 29.700 0.373 0.000 0.750 400 E HN 0.742 nan 8.360 nan 0.000 0.448 401 Y N 1.489 121.885 120.300 0.160 0.000 2.128 401 Y HA -0.199 4.352 4.550 0.002 0.000 0.284 401 Y C 1.865 177.845 175.900 0.134 0.000 1.154 401 Y CA 2.006 60.183 58.100 0.128 0.000 1.149 401 Y CB -0.108 38.408 38.460 0.092 0.000 0.976 401 Y HN -0.070 nan 8.280 nan 0.000 0.505 402 K N -1.157 119.204 120.400 -0.065 0.000 2.217 402 K HA -0.128 4.193 4.320 0.002 0.000 0.202 402 K C 1.993 178.615 176.600 0.036 0.000 1.051 402 K CA 1.029 57.230 56.287 -0.144 0.000 0.952 402 K CB -0.452 32.025 32.500 -0.040 0.000 0.736 402 K HN 0.303 nan 8.250 nan 0.000 0.453 403 F N 2.840 122.795 119.950 0.007 0.000 2.102 403 F HA -0.206 4.322 4.527 0.002 0.000 0.298 403 F C 2.180 178.006 175.800 0.043 0.000 1.105 403 F CA 1.568 59.614 58.000 0.077 0.000 1.239 403 F CB -0.337 38.805 39.000 0.236 0.000 0.991 403 F HN 0.003 nan 8.300 nan 0.000 0.474 404 Q N -0.065 119.758 119.800 0.039 0.000 2.112 404 Q HA -0.267 4.074 4.340 0.002 0.000 0.206 404 Q C 1.922 177.839 176.000 -0.138 0.000 0.987 404 Q CA 1.880 57.635 55.803 -0.080 0.000 0.858 404 Q CB -0.369 28.396 28.738 0.045 0.000 0.905 404 Q HN 0.414 nan 8.270 nan 0.000 0.420 405 N N 0.180 118.780 118.700 -0.165 0.000 2.142 405 N HA -0.110 4.631 4.740 0.002 0.000 0.186 405 N C 1.534 176.975 175.510 -0.114 0.000 1.023 405 N CA 1.310 54.261 53.050 -0.166 0.000 0.852 405 N CB -0.420 37.915 38.487 -0.254 0.000 0.998 405 N HN 0.261 nan 8.380 nan 0.000 0.424 406 A N 0.977 123.732 122.820 -0.109 0.000 1.933 406 A HA -0.058 4.263 4.320 0.002 0.000 0.218 406 A C 2.284 179.805 177.584 -0.104 0.000 1.175 406 A CA 0.972 52.960 52.037 -0.081 0.000 0.628 406 A CB -0.676 18.301 19.000 -0.038 0.000 0.814 406 A HN 0.226 nan 8.150 nan 0.000 0.444 407 L N -1.356 119.750 121.223 -0.194 0.000 2.109 407 L HA -0.104 4.237 4.340 0.002 0.000 0.207 407 L C 2.513 179.374 176.870 -0.014 0.000 1.086 407 L CA 0.783 55.541 54.840 -0.135 0.000 0.760 407 L CB -0.511 41.366 42.059 -0.304 0.000 0.910 407 L HN 0.400 nan 8.230 nan 0.000 0.437 408 L N -0.326 120.857 121.223 -0.066 0.000 2.042 408 L HA -0.191 4.150 4.340 0.002 0.000 0.210 408 L C 2.398 179.273 176.870 0.008 0.000 1.076 408 L CA 1.608 56.431 54.840 -0.028 0.000 0.749 408 L CB -0.301 41.730 42.059 -0.048 0.000 0.893 408 L HN -0.069 nan 8.230 nan 0.000 0.432 409 V N -0.551 119.358 119.914 -0.008 0.000 2.295 409 V HA -0.286 3.835 4.120 0.002 0.000 0.246 409 V C 2.682 178.776 176.094 0.001 0.000 1.049 409 V CA 1.953 64.250 62.300 -0.004 0.000 1.024 409 V CB -0.691 31.125 31.823 -0.012 0.000 0.648 409 V HN 0.425 nan 8.190 nan 0.000 0.447 410 R N -1.108 119.398 120.500 0.010 0.000 2.094 410 R HA -0.204 4.137 4.340 0.002 0.000 0.239 410 R C 2.342 178.597 176.300 -0.074 0.000 1.137 410 R CA 2.382 58.468 56.100 -0.024 0.000 0.943 410 R CB -0.509 29.792 30.300 0.001 0.000 0.850 410 R HN 0.544 nan 8.270 nan 0.000 0.433 411 Y N -0.028 120.224 120.300 -0.079 0.000 2.293 411 Y HA -0.154 4.397 4.550 0.001 0.000 0.291 411 Y C 2.630 178.482 175.900 -0.080 0.000 1.137 411 Y CA 1.454 59.506 58.100 -0.081 0.000 1.202 411 Y CB -0.075 38.316 38.460 -0.114 0.000 0.990 411 Y HN 0.098 nan 8.280 nan 0.000 0.537 412 T N -0.269 114.311 114.554 0.043 0.000 2.867 412 T HA -0.151 4.200 4.350 0.002 0.000 0.268 412 T C 1.694 176.341 174.700 -0.089 0.000 1.057 412 T CA 1.343 63.429 62.100 -0.024 0.000 1.136 412 T CB -0.127 68.733 68.868 -0.013 0.000 0.874 412 T HN 0.283 nan 8.240 nan 0.000 0.466 413 K N 0.927 121.280 120.400 -0.077 0.000 2.103 413 K HA 0.010 4.331 4.320 0.002 0.000 0.204 413 K C 2.378 178.905 176.600 -0.121 0.000 1.052 413 K CA 0.949 57.177 56.287 -0.097 0.000 0.945 413 K CB 0.013 32.472 32.500 -0.068 0.000 0.722 413 K HN 0.269 nan 8.250 nan 0.000 0.443 414 K N 0.497 120.814 120.400 -0.138 0.000 2.001 414 K HA -0.072 4.249 4.320 0.002 0.000 0.208 414 K C 0.973 177.513 176.600 -0.100 0.000 1.048 414 K CA 1.411 57.614 56.287 -0.140 0.000 0.932 414 K CB 0.170 32.535 32.500 -0.225 0.000 0.715 414 K HN 0.066 nan 8.250 nan 0.000 0.437 415 V N -1.422 118.441 119.914 -0.086 0.000 2.361 415 V HA 0.253 4.375 4.120 0.002 0.000 0.252 415 V C -2.605 173.416 176.094 -0.122 0.000 0.986 415 V CA -1.530 60.729 62.300 -0.067 0.000 1.033 415 V CB 1.005 32.836 31.823 0.014 0.000 1.282 415 V HN -0.041 nan 8.190 nan 0.000 0.514 416 P HA -0.036 nan 4.420 nan 0.000 0.228 416 P C 1.150 178.286 177.300 -0.273 0.000 1.151 416 P CA 1.067 63.897 63.100 -0.450 0.000 0.770 416 P CB 0.302 31.265 31.700 -1.227 0.000 0.786 417 Q N -0.988 118.748 119.800 -0.107 0.000 2.331 417 Q HA 0.042 4.383 4.340 0.002 0.000 0.203 417 Q C 0.662 176.699 176.000 0.063 0.000 0.944 417 Q CA 0.266 56.101 55.803 0.053 0.000 0.892 417 Q CB -0.635 28.168 28.738 0.108 0.000 0.983 417 Q HN 0.081 nan 8.270 nan 0.000 0.482 418 V N 2.200 122.137 119.914 0.038 0.000 2.763 418 V HA -0.009 4.112 4.120 0.002 0.000 0.306 418 V C 0.642 176.760 176.094 0.040 0.000 1.059 418 V CA -0.139 62.197 62.300 0.060 0.000 1.138 418 V CB 0.773 32.617 31.823 0.035 0.000 0.940 418 V HN 0.383 nan 8.190 nan 0.000 0.489 419 S N 3.137 118.863 115.700 0.044 0.000 2.573 419 S HA 0.021 4.492 4.470 0.002 0.000 0.277 419 S C 1.182 175.787 174.600 0.008 0.000 1.346 419 S CA 0.211 58.425 58.200 0.024 0.000 1.034 419 S CB 0.865 64.075 63.200 0.017 0.000 0.879 419 S HN 0.768 nan 8.310 nan 0.000 0.528 420 T N 3.315 117.868 114.554 -0.000 0.000 2.708 420 T HA 0.004 4.355 4.350 0.002 0.000 0.266 420 T C -0.907 173.783 174.700 -0.016 0.000 1.037 420 T CA 1.655 63.749 62.100 -0.010 0.000 1.146 420 T CB -1.473 67.384 68.868 -0.018 0.000 0.865 420 T HN 0.601 nan 8.240 nan 0.000 0.435 421 P HA -0.042 nan 4.420 nan 0.000 0.215 421 P C 1.616 178.903 177.300 -0.022 0.000 1.153 421 P CA 1.218 64.306 63.100 -0.021 0.000 0.853 421 P CB -0.272 31.415 31.700 -0.021 0.000 0.788 422 T N -0.313 114.230 114.554 -0.018 0.000 2.746 422 T HA -0.102 4.249 4.350 0.002 0.000 0.267 422 T C 1.749 176.424 174.700 -0.041 0.000 1.039 422 T CA 1.065 63.151 62.100 -0.023 0.000 1.142 422 T CB -0.896 67.970 68.868 -0.004 0.000 0.866 422 T HN 0.047 nan 8.240 nan 0.000 0.444 423 L N 0.521 121.724 121.223 -0.033 0.000 2.093 423 L HA -0.071 4.270 4.340 0.002 0.000 0.208 423 L C 2.594 179.427 176.870 -0.061 0.000 1.085 423 L CA 0.796 55.608 54.840 -0.046 0.000 0.755 423 L CB -0.442 41.604 42.059 -0.021 0.000 0.904 423 L HN 0.156 nan 8.230 nan 0.000 0.435 424 V N -0.727 119.162 119.914 -0.041 0.000 2.307 424 V HA -0.230 3.891 4.120 0.002 0.000 0.245 424 V C 2.530 178.600 176.094 -0.041 0.000 1.045 424 V CA 1.550 63.831 62.300 -0.033 0.000 1.024 424 V CB -0.381 31.433 31.823 -0.014 0.000 0.651 424 V HN 0.409 nan 8.190 nan 0.000 0.449 425 E N 0.124 120.299 120.200 -0.041 0.000 2.051 425 E HA -0.174 4.177 4.350 0.002 0.000 0.192 425 E C 2.282 178.838 176.600 -0.073 0.000 0.991 425 E CA 1.495 57.871 56.400 -0.041 0.000 0.799 425 E CB -0.209 29.471 29.700 -0.034 0.000 0.748 425 E HN 0.434 nan 8.360 nan 0.000 0.449 426 V N 0.815 120.660 119.914 -0.115 0.000 2.295 426 V HA -0.232 3.889 4.120 0.002 0.000 0.246 426 V C 2.466 178.415 176.094 -0.241 0.000 1.049 426 V CA 1.847 64.034 62.300 -0.189 0.000 1.024 426 V CB -0.515 31.168 31.823 -0.234 0.000 0.648 426 V HN 0.178 nan 8.190 nan 0.000 0.447 427 S N -0.372 115.189 115.700 -0.232 0.000 2.368 427 S HA -0.199 4.272 4.470 0.002 0.000 0.225 427 S C 2.059 176.567 174.600 -0.153 0.000 1.030 427 S CA 1.534 59.583 58.200 -0.251 0.000 0.999 427 S CB -0.315 62.777 63.200 -0.180 0.000 0.844 427 S HN 0.555 nan 8.310 nan 0.000 0.459 428 R N 1.500 121.955 120.500 -0.076 0.000 2.083 428 R HA -0.038 4.303 4.340 0.002 0.000 0.237 428 R C 1.906 178.214 176.300 0.014 0.000 1.137 428 R CA 1.491 57.587 56.100 -0.006 0.000 0.951 428 R CB -0.490 29.825 30.300 0.026 0.000 0.851 428 R HN 0.326 nan 8.270 nan 0.000 0.434 429 N N 0.860 119.551 118.700 -0.013 0.000 2.188 429 N HA -0.091 4.650 4.740 0.002 0.000 0.184 429 N C 1.863 177.415 175.510 0.069 0.000 1.018 429 N CA 1.008 54.080 53.050 0.037 0.000 0.858 429 N CB -0.169 38.310 38.487 -0.013 0.000 0.989 429 N HN 0.196 nan 8.380 nan 0.000 0.426 430 L N -0.069 121.114 121.223 -0.067 0.000 2.093 430 L HA -0.033 4.308 4.340 0.002 0.000 0.208 430 L C 2.329 179.236 176.870 0.061 0.000 1.085 430 L CA 1.225 56.028 54.840 -0.062 0.000 0.755 430 L CB -0.732 41.169 42.059 -0.264 0.000 0.904 430 L HN 0.198 nan 8.230 nan 0.000 0.435 431 G N -0.124 108.686 108.800 0.018 0.000 2.443 431 G HA2 -0.196 3.765 3.960 0.002 0.000 0.219 431 G HA3 -0.196 3.765 3.960 0.002 0.000 0.219 431 G C 1.540 176.597 174.900 0.262 0.000 1.131 431 G CA 0.185 45.370 45.100 0.141 0.000 0.775 431 G HN 0.324 nan 8.290 nan 0.000 0.547 432 K N 0.221 120.719 120.400 0.164 0.000 2.519 432 K HA 0.061 4.382 4.320 0.002 0.000 0.196 432 K C 2.167 178.717 176.600 -0.085 0.000 1.041 432 K CA 0.191 56.517 56.287 0.064 0.000 0.954 432 K CB 0.016 32.557 32.500 0.068 0.000 0.774 432 K HN 0.230 nan 8.250 nan 0.000 0.480 433 V N 0.986 120.915 119.914 0.024 0.000 2.515 433 V HA -0.143 3.978 4.120 0.002 0.000 0.250 433 V C 2.037 177.968 176.094 -0.272 0.000 1.058 433 V CA 2.129 64.379 62.300 -0.082 0.000 1.064 433 V CB -0.416 31.515 31.823 0.180 0.000 0.675 433 V HN 0.458 nan 8.190 nan 0.000 0.461 434 G N -1.274 107.243 108.800 -0.470 0.000 2.433 434 G HA2 -0.302 3.659 3.960 0.002 0.000 0.216 434 G HA3 -0.302 3.659 3.960 0.002 0.000 0.216 434 G C 1.905 176.028 174.900 -1.295 0.000 1.186 434 G CA 1.167 45.450 45.100 -1.361 0.000 0.779 434 G HN 0.522 nan 8.290 nan 0.000 0.543 435 S N 0.007 115.218 115.700 -0.815 0.000 2.382 435 S HA -0.055 4.416 4.470 0.002 0.000 0.228 435 S C 2.319 176.790 174.600 -0.216 0.000 1.027 435 S CA 1.731 59.766 58.200 -0.274 0.000 0.991 435 S CB -0.217 62.962 63.200 -0.035 0.000 0.823 435 S HN 0.426 nan 8.310 nan 0.000 0.469 436 K N -0.687 119.559 120.400 -0.256 0.000 2.167 436 K HA 0.080 4.401 4.320 0.002 0.000 0.203 436 K C 1.815 178.341 176.600 -0.123 0.000 1.052 436 K CA 1.262 57.429 56.287 -0.201 0.000 0.956 436 K CB -0.041 32.272 32.500 -0.312 0.000 0.735 436 K HN 0.415 nan 8.250 nan 0.000 0.451 437 c N -1.368 117.151 118.600 -0.135 0.000 3.294 437 c HA 0.133 4.704 4.570 0.002 0.000 0.441 437 c C 2.385 176.476 174.090 0.003 0.000 1.364 437 c CA -0.609 55.740 56.329 0.033 0.000 2.059 437 c CB -0.279 42.234 42.510 0.004 0.000 2.925 437 c HN 0.517 nan 8.230 nan 0.000 0.633 438 c N 2.520 121.048 118.600 -0.120 0.000 2.432 438 c HA -0.089 4.482 4.570 0.002 0.000 0.282 438 c C 2.652 176.729 174.090 -0.022 0.000 1.388 438 c CA 1.306 57.600 56.329 -0.058 0.000 1.777 438 c CB -1.438 41.034 42.510 -0.064 0.000 1.882 438 c HN 0.754 nan 8.230 nan 0.000 0.520 439 K N 0.106 120.451 120.400 -0.091 0.000 2.148 439 K HA -0.076 4.245 4.320 0.002 0.000 0.204 439 K C 0.721 177.236 176.600 -0.141 0.000 1.050 439 K CA 0.965 57.173 56.287 -0.132 0.000 0.942 439 K CB -0.377 31.994 32.500 -0.215 0.000 0.724 439 K HN 0.543 nan 8.250 nan 0.000 0.446 440 H N 2.075 121.135 119.070 -0.017 0.000 2.679 440 H HA 0.157 4.714 4.556 0.002 0.000 0.369 440 H C -2.055 173.269 175.328 -0.007 0.000 1.178 440 H CA -1.970 54.070 56.048 -0.014 0.000 1.419 440 H CB 0.141 29.891 29.762 -0.020 0.000 1.458 440 H HN 0.053 nan 8.280 nan 0.000 0.605 441 P HA -0.006 nan 4.420 nan 0.000 0.271 441 P C 0.583 177.922 177.300 0.065 0.000 1.238 441 P CA -0.029 63.115 63.100 0.074 0.000 0.794 441 P CB 0.812 32.545 31.700 0.055 0.000 0.959 442 E N 0.678 120.905 120.200 0.044 0.000 2.110 442 E HA -0.161 4.190 4.350 0.002 0.000 0.193 442 E C 1.589 178.211 176.600 0.035 0.000 0.988 442 E CA 1.458 57.881 56.400 0.039 0.000 0.804 442 E CB -0.443 29.277 29.700 0.034 0.000 0.745 442 E HN 0.458 nan 8.360 nan 0.000 0.458 443 A N 0.524 123.360 122.820 0.028 0.000 2.261 443 A HA -0.022 4.299 4.320 0.002 0.000 0.208 443 A C 1.647 179.230 177.584 -0.002 0.000 1.223 443 A CA 0.624 52.674 52.037 0.021 0.000 0.833 443 A CB -0.064 18.940 19.000 0.007 0.000 0.830 443 A HN 0.017 nan 8.150 nan 0.000 0.483 444 K N -1.588 118.806 120.400 -0.009 0.000 2.558 444 K HA 0.232 4.553 4.320 0.002 0.000 0.215 444 K C 1.655 178.199 176.600 -0.092 0.000 1.298 444 K CA -0.147 56.094 56.287 -0.076 0.000 1.008 444 K CB 0.322 32.764 32.500 -0.097 0.000 1.073 444 K HN 0.315 nan 8.250 nan 0.000 0.606 445 R N 0.173 120.667 120.500 -0.010 0.000 2.119 445 R HA 0.075 4.416 4.340 0.002 0.000 0.222 445 R C 2.121 178.423 176.300 0.003 0.000 1.088 445 R CA 1.119 57.228 56.100 0.014 0.000 0.984 445 R CB 0.061 30.385 30.300 0.039 0.000 0.884 445 R HN 0.215 nan 8.270 nan 0.000 0.447 446 M N 0.903 120.507 119.600 0.006 0.000 2.160 446 M HA -0.014 4.467 4.480 0.002 0.000 0.264 446 M C -1.054 175.248 176.300 0.004 0.000 1.073 446 M CA 1.315 56.620 55.300 0.008 0.000 1.142 446 M CB -0.526 32.080 32.600 0.009 0.000 1.358 446 M HN -0.114 nan 8.290 nan 0.000 0.422 447 P HA -0.168 nan 4.420 nan 0.000 0.214 447 P C 1.802 179.098 177.300 -0.006 0.000 1.163 447 P CA 1.409 64.501 63.100 -0.014 0.000 0.889 447 P CB -0.468 31.204 31.700 -0.046 0.000 0.790 448 c N -0.347 118.230 118.600 -0.039 0.000 2.413 448 c HA -0.128 4.443 4.570 0.002 0.000 0.277 448 c C 2.836 176.954 174.090 0.046 0.000 1.228 448 c CA 1.919 58.234 56.329 -0.023 0.000 1.731 448 c CB -1.684 40.782 42.510 -0.073 0.000 2.042 448 c HN 0.223 nan 8.230 nan 0.000 0.468 449 A N -0.676 122.171 122.820 0.045 0.000 1.854 449 A HA -0.118 4.203 4.320 0.002 0.000 0.214 449 A C 2.222 179.871 177.584 0.108 0.000 1.192 449 A CA 1.652 53.740 52.037 0.084 0.000 0.611 449 A CB -0.892 18.141 19.000 0.054 0.000 0.832 449 A HN 0.763 nan 8.150 nan 0.000 0.442 450 E N -0.429 119.807 120.200 0.060 0.000 2.107 450 E HA -0.168 4.183 4.350 0.002 0.000 0.191 450 E C 1.125 177.749 176.600 0.041 0.000 0.982 450 E CA 1.077 57.501 56.400 0.041 0.000 0.809 450 E CB -0.041 29.663 29.700 0.008 0.000 0.756 450 E HN 0.510 nan 8.360 nan 0.000 0.459 451 D N -0.303 120.132 120.400 0.058 0.000 2.183 451 D HA -0.155 4.486 4.640 0.002 0.000 0.203 451 D C 1.642 177.988 176.300 0.076 0.000 0.969 451 D CA 0.657 54.696 54.000 0.065 0.000 0.842 451 D CB -0.295 40.557 40.800 0.086 0.000 0.957 451 D HN 0.250 nan 8.370 nan 0.000 0.484 452 Y N 1.861 122.157 120.300 -0.007 0.000 2.145 452 Y HA -0.165 4.386 4.550 0.002 0.000 0.286 452 Y C 2.193 178.075 175.900 -0.030 0.000 1.145 452 Y CA 1.266 59.357 58.100 -0.015 0.000 1.148 452 Y CB -0.523 37.930 38.460 -0.011 0.000 0.981 452 Y HN -0.121 nan 8.280 nan 0.000 0.507 453 L N -0.788 120.370 121.223 -0.107 0.000 2.081 453 L HA -0.289 4.052 4.340 0.002 0.000 0.212 453 L C 2.521 179.270 176.870 -0.202 0.000 1.080 453 L CA 1.646 56.371 54.840 -0.191 0.000 0.754 453 L CB -0.808 41.229 42.059 -0.037 0.000 0.893 453 L HN 0.170 nan 8.230 nan 0.000 0.433 454 S N -0.565 115.061 115.700 -0.124 0.000 2.382 454 S HA -0.143 4.328 4.470 0.002 0.000 0.228 454 S C 2.032 176.535 174.600 -0.161 0.000 1.027 454 S CA 1.227 59.361 58.200 -0.109 0.000 0.991 454 S CB -0.197 62.963 63.200 -0.066 0.000 0.823 454 S HN 0.184 nan 8.310 nan 0.000 0.469 455 V N 1.404 121.194 119.914 -0.206 0.000 2.295 455 V HA -0.127 3.994 4.120 0.002 0.000 0.246 455 V C 2.279 178.211 176.094 -0.271 0.000 1.049 455 V CA 1.438 63.605 62.300 -0.223 0.000 1.024 455 V CB -0.744 30.961 31.823 -0.198 0.000 0.648 455 V HN 0.353 nan 8.190 nan 0.000 0.447 456 V N -0.396 119.273 119.914 -0.408 0.000 2.515 456 V HA -0.198 3.923 4.120 0.002 0.000 0.250 456 V C 2.223 178.149 176.094 -0.282 0.000 1.058 456 V CA 1.608 63.685 62.300 -0.370 0.000 1.064 456 V CB -0.506 31.022 31.823 -0.491 0.000 0.675 456 V HN 0.438 nan 8.190 nan 0.000 0.461 457 L N 0.137 121.206 121.223 -0.258 0.000 2.179 457 L HA -0.096 4.245 4.340 0.002 0.000 0.208 457 L C 2.406 179.193 176.870 -0.138 0.000 1.096 457 L CA 1.431 56.128 54.840 -0.239 0.000 0.779 457 L CB -0.578 41.368 42.059 -0.189 0.000 0.922 457 L HN 0.417 nan 8.230 nan 0.000 0.443 458 N N 0.169 118.801 118.700 -0.113 0.000 2.104 458 N HA -0.243 4.498 4.740 0.002 0.000 0.190 458 N C 1.865 177.330 175.510 -0.075 0.000 1.024 458 N CA 1.462 54.469 53.050 -0.071 0.000 0.853 458 N CB 0.046 38.477 38.487 -0.092 0.000 1.008 458 N HN 0.265 nan 8.380 nan 0.000 0.424 459 Q N -0.534 119.200 119.800 -0.109 0.000 2.077 459 Q HA -0.183 4.158 4.340 0.002 0.000 0.206 459 Q C 1.995 177.952 176.000 -0.072 0.000 0.989 459 Q CA 1.604 57.352 55.803 -0.091 0.000 0.853 459 Q CB -0.314 28.361 28.738 -0.105 0.000 0.907 459 Q HN 0.402 nan 8.270 nan 0.000 0.418 460 L N 0.275 121.434 121.223 -0.107 0.000 2.042 460 L HA -0.213 4.128 4.340 0.002 0.000 0.210 460 L C 2.136 179.008 176.870 0.003 0.000 1.076 460 L CA 1.817 56.603 54.840 -0.090 0.000 0.749 460 L CB -0.690 41.245 42.059 -0.206 0.000 0.893 460 L HN 0.308 nan 8.230 nan 0.000 0.432 461 c N -1.387 117.227 118.600 0.024 0.000 2.446 461 c HA -0.114 4.457 4.570 0.002 0.000 0.277 461 c C 2.861 177.004 174.090 0.087 0.000 1.275 461 c CA 0.941 57.329 56.329 0.099 0.000 1.727 461 c CB -1.149 41.433 42.510 0.121 0.000 2.010 461 c HN 0.642 nan 8.230 nan 0.000 0.486 462 V N -0.506 119.424 119.914 0.028 0.000 2.427 462 V HA -0.103 4.018 4.120 0.002 0.000 0.248 462 V C 2.202 178.306 176.094 0.016 0.000 1.051 462 V CA 1.743 64.045 62.300 0.004 0.000 1.048 462 V CB -0.946 30.847 31.823 -0.049 0.000 0.666 462 V HN 0.344 nan 8.190 nan 0.000 0.456 463 L N 0.589 121.825 121.223 0.021 0.000 2.017 463 L HA -0.123 4.218 4.340 0.002 0.000 0.208 463 L C 2.801 179.704 176.870 0.055 0.000 1.073 463 L CA 2.464 57.318 54.840 0.025 0.000 0.745 463 L CB -1.661 40.407 42.059 0.015 0.000 0.894 463 L HN 0.579 nan 8.230 nan 0.000 0.432 464 H N -0.486 118.584 119.070 -0.001 0.000 2.428 464 H HA -0.133 4.424 4.556 0.002 0.000 0.296 464 H C 2.067 177.402 175.328 0.012 0.000 1.062 464 H CA 1.372 57.428 56.048 0.012 0.000 1.350 464 H CB 0.434 30.218 29.762 0.035 0.000 1.403 464 H HN 0.496 nan 8.280 nan 0.000 0.533 465 E N 1.022 121.238 120.200 0.027 0.000 2.160 465 E HA -0.188 4.163 4.350 0.002 0.000 0.195 465 E C 2.324 178.873 176.600 -0.084 0.000 0.991 465 E CA 0.985 57.368 56.400 -0.029 0.000 0.810 465 E CB 0.016 29.725 29.700 0.017 0.000 0.742 465 E HN 0.383 nan 8.360 nan 0.000 0.466 466 K N 0.102 120.461 120.400 -0.068 0.000 2.147 466 K HA -0.101 4.220 4.320 0.002 0.000 0.205 466 K C 0.263 176.806 176.600 -0.095 0.000 1.049 466 K CA 1.608 57.856 56.287 -0.066 0.000 0.936 466 K CB 0.107 32.582 32.500 -0.042 0.000 0.722 466 K HN 0.143 nan 8.250 nan 0.000 0.446 467 T N 0.018 114.485 114.554 -0.146 0.000 3.160 467 T HA 0.368 4.719 4.350 0.002 0.000 0.346 467 T C -2.953 171.575 174.700 -0.287 0.000 1.027 467 T CA -1.884 60.123 62.100 -0.155 0.000 1.287 467 T CB 1.442 70.256 68.868 -0.091 0.000 0.997 467 T HN -0.134 nan 8.240 nan 0.000 0.518 468 P HA 0.427 nan 4.420 nan 0.000 0.271 468 P C 0.308 177.488 177.300 -0.200 0.000 1.218 468 P CA -0.381 62.410 63.100 -0.515 0.000 0.780 468 P CB 1.371 32.932 31.700 -0.231 0.000 0.901 469 V N -0.436 119.482 119.914 0.006 0.000 3.188 469 V HA 0.095 4.216 4.120 0.002 0.000 0.258 469 V C 0.269 176.492 176.094 0.215 0.000 1.702 469 V CA 0.296 62.671 62.300 0.125 0.000 1.020 469 V CB 0.763 32.656 31.823 0.116 0.000 0.884 469 V HN 0.579 nan 8.190 nan 0.000 0.399 470 S N 0.485 116.428 115.700 0.406 0.000 2.659 470 S HA 0.343 4.814 4.470 0.002 0.000 0.312 470 S C 0.267 174.955 174.600 0.145 0.000 1.114 470 S CA -0.512 57.805 58.200 0.195 0.000 1.063 470 S CB 1.292 64.534 63.200 0.071 0.000 0.996 470 S HN 0.319 nan 8.310 nan 0.000 0.478 471 D N 3.849 124.304 120.400 0.091 0.000 2.269 471 D HA -0.020 4.621 4.640 0.002 0.000 0.208 471 D C 1.589 177.893 176.300 0.006 0.000 0.963 471 D CA 0.736 54.771 54.000 0.059 0.000 0.864 471 D CB 0.231 41.056 40.800 0.042 0.000 0.936 471 D HN 0.578 nan 8.370 nan 0.000 0.505 472 R N 0.260 120.750 120.500 -0.018 0.000 2.115 472 R HA -0.023 4.318 4.340 0.002 0.000 0.226 472 R C 2.395 178.622 176.300 -0.122 0.000 1.100 472 R CA 0.413 56.471 56.100 -0.071 0.000 0.980 472 R CB -0.098 30.166 30.300 -0.060 0.000 0.875 472 R HN 0.031 nan 8.270 nan 0.000 0.445 473 V N 0.319 120.164 119.914 -0.114 0.000 2.323 473 V HA -0.207 3.914 4.120 0.002 0.000 0.244 473 V C 2.049 178.090 176.094 -0.089 0.000 1.041 473 V CA 2.096 64.313 62.300 -0.139 0.000 1.025 473 V CB -0.540 30.977 31.823 -0.511 0.000 0.656 473 V HN 0.354 nan 8.190 nan 0.000 0.451 474 T N -0.020 114.525 114.554 -0.014 0.000 2.635 474 T HA -0.322 4.029 4.350 0.002 0.000 0.267 474 T C 1.937 176.647 174.700 0.016 0.000 1.040 474 T CA 2.263 64.414 62.100 0.085 0.000 1.156 474 T CB -0.259 68.688 68.868 0.132 0.000 0.863 474 T HN 0.477 nan 8.240 nan 0.000 0.430 475 K N 0.132 120.511 120.400 -0.035 0.000 1.991 475 K HA -0.128 4.193 4.320 0.002 0.000 0.212 475 K C 2.526 179.058 176.600 -0.113 0.000 1.049 475 K CA 1.739 57.988 56.287 -0.063 0.000 0.932 475 K CB -0.520 31.932 32.500 -0.080 0.000 0.717 475 K HN 0.333 nan 8.250 nan 0.000 0.441 476 c N 0.573 119.020 118.600 -0.256 0.000 2.422 476 c HA -0.107 4.464 4.570 0.002 0.000 0.279 476 c C 2.875 176.855 174.090 -0.184 0.000 1.305 476 c CA 0.506 56.584 56.329 -0.419 0.000 1.757 476 c CB -1.010 40.815 42.510 -1.142 0.000 1.962 476 c HN 0.667 nan 8.230 nan 0.000 0.499 477 c N 0.488 119.072 118.600 -0.027 0.000 2.450 477 c HA -0.038 4.533 4.570 0.002 0.000 0.279 477 c C 2.732 176.944 174.090 0.203 0.000 1.335 477 c CA 1.807 58.223 56.329 0.144 0.000 1.749 477 c CB -1.485 41.133 42.510 0.181 0.000 1.963 477 c HN 0.840 nan 8.230 nan 0.000 0.501 478 T N -2.410 112.226 114.554 0.138 0.000 2.969 478 T HA 0.041 4.392 4.350 0.002 0.000 0.250 478 T C 1.480 176.284 174.700 0.173 0.000 1.021 478 T CA 0.571 62.769 62.100 0.164 0.000 1.003 478 T CB -0.255 68.642 68.868 0.048 0.000 1.040 478 T HN 0.576 nan 8.240 nan 0.000 0.492 479 E N 1.560 121.817 120.200 0.095 0.000 2.051 479 E HA -0.066 4.285 4.350 0.002 0.000 0.192 479 E C 0.372 177.034 176.600 0.104 0.000 0.991 479 E CA 1.005 57.445 56.400 0.067 0.000 0.799 479 E CB 0.089 29.790 29.700 0.002 0.000 0.748 479 E HN 0.459 nan 8.360 nan 0.000 0.449 480 S N -1.080 114.675 115.700 0.090 0.000 2.626 480 S HA 0.141 4.612 4.470 0.002 0.000 0.275 480 S C 0.077 174.610 174.600 -0.112 0.000 1.175 480 S CA -0.781 57.437 58.200 0.030 0.000 0.982 480 S CB 1.282 64.475 63.200 -0.012 0.000 1.093 480 S HN 0.241 nan 8.310 nan 0.000 0.472 481 L N 6.141 127.107 121.223 -0.428 0.000 2.017 481 L HA 0.096 4.437 4.340 0.002 0.000 0.208 481 L C 1.931 178.602 176.870 -0.330 0.000 1.073 481 L CA 2.218 56.618 54.840 -0.734 0.000 0.745 481 L CB -0.607 40.596 42.059 -1.426 0.000 0.894 481 L HN 0.662 nan 8.230 nan 0.000 0.432 482 V N 0.131 119.906 119.914 -0.231 0.000 2.667 482 V HA -0.120 4.001 4.120 0.002 0.000 0.252 482 V C 1.559 177.601 176.094 -0.087 0.000 1.065 482 V CA 1.386 63.608 62.300 -0.130 0.000 1.083 482 V CB -0.838 30.929 31.823 -0.094 0.000 0.692 482 V HN 0.514 nan 8.190 nan 0.000 0.468 483 N N -0.118 118.535 118.700 -0.078 0.000 2.314 483 N HA 0.102 4.843 4.740 0.002 0.000 0.200 483 N C 1.633 177.122 175.510 -0.035 0.000 1.135 483 N CA 0.033 53.051 53.050 -0.052 0.000 0.835 483 N CB 0.077 38.535 38.487 -0.048 0.000 0.989 483 N HN 0.454 nan 8.380 nan 0.000 0.478 484 R N 1.018 121.505 120.500 -0.022 0.000 2.083 484 R HA -0.167 4.174 4.340 0.002 0.000 0.237 484 R C 2.240 178.629 176.300 0.149 0.000 1.137 484 R CA 1.770 57.904 56.100 0.057 0.000 0.951 484 R CB -0.040 30.320 30.300 0.099 0.000 0.851 484 R HN 0.299 nan 8.270 nan 0.000 0.434 485 R N 0.340 120.900 120.500 0.101 0.000 2.075 485 R HA 0.002 4.343 4.340 0.002 0.000 0.232 485 R C -0.971 175.388 176.300 0.097 0.000 1.126 485 R CA 0.961 57.136 56.100 0.125 0.000 0.963 485 R CB -1.497 28.838 30.300 0.059 0.000 0.858 485 R HN 0.165 nan 8.270 nan 0.000 0.435 486 P HA -0.102 nan 4.420 nan 0.000 0.218 486 P C 1.179 178.474 177.300 -0.009 0.000 1.149 486 P CA 0.969 64.074 63.100 0.007 0.000 0.817 486 P CB -0.167 31.521 31.700 -0.019 0.000 0.785 487 c N -1.756 116.821 118.600 -0.038 0.000 2.462 487 c HA -0.125 4.446 4.570 0.002 0.000 0.278 487 c C 2.409 176.392 174.090 -0.177 0.000 1.253 487 c CA 0.639 56.884 56.329 -0.141 0.000 1.713 487 c CB -2.037 40.330 42.510 -0.238 0.000 2.049 487 c HN 0.065 nan 8.230 nan 0.000 0.477 488 F N 1.403 121.329 119.950 -0.040 0.000 2.171 488 F HA -0.103 4.425 4.527 0.001 0.000 0.300 488 F C 2.808 178.540 175.800 -0.114 0.000 1.090 488 F CA 1.930 59.890 58.000 -0.065 0.000 1.293 488 F CB -0.895 38.111 39.000 0.011 0.000 1.013 488 F HN 0.142 nan 8.300 nan 0.000 0.486 489 S N -0.231 115.530 115.700 0.101 0.000 2.370 489 S HA -0.208 4.263 4.470 0.002 0.000 0.226 489 S C 2.286 176.872 174.600 -0.024 0.000 1.033 489 S CA 1.127 59.342 58.200 0.025 0.000 1.011 489 S CB -0.630 62.592 63.200 0.037 0.000 0.852 489 S HN 0.374 nan 8.310 nan 0.000 0.457 490 A N 0.508 123.309 122.820 -0.032 0.000 2.119 490 A HA 0.182 4.503 4.320 0.002 0.000 0.217 490 A C 0.666 178.212 177.584 -0.063 0.000 1.153 490 A CA 0.409 52.418 52.037 -0.047 0.000 0.692 490 A CB -0.292 18.678 19.000 -0.050 0.000 0.799 490 A HN 0.324 nan 8.150 nan 0.000 0.458 491 L N 0.178 121.353 121.223 -0.080 0.000 2.483 491 L HA 0.151 4.492 4.340 0.002 0.000 0.276 491 L C 1.217 178.030 176.870 -0.096 0.000 1.213 491 L CA 0.659 55.444 54.840 -0.091 0.000 0.843 491 L CB 0.274 42.273 42.059 -0.099 0.000 1.107 491 L HN 0.334 nan 8.230 nan 0.000 0.487 492 E N 1.147 121.298 120.200 -0.083 0.000 3.034 492 E HA 0.374 4.725 4.350 0.002 0.000 0.237 492 E C -1.005 175.550 176.600 -0.075 0.000 1.117 492 E CA 0.079 56.433 56.400 -0.076 0.000 0.969 492 E CB 0.642 30.312 29.700 -0.051 0.000 2.998 492 E HN 0.238 nan 8.360 nan 0.000 0.581 493 V N 2.811 122.694 119.914 -0.052 0.000 2.540 493 V HA 0.187 4.308 4.120 0.002 0.000 0.302 493 V C -0.645 175.432 176.094 -0.027 0.000 1.035 493 V CA -0.908 61.367 62.300 -0.042 0.000 0.873 493 V CB 1.712 33.522 31.823 -0.022 0.000 0.992 493 V HN 0.260 nan 8.190 nan 0.000 0.428 494 D N 3.417 123.800 120.400 -0.029 0.000 2.367 494 D HA 0.072 4.713 4.640 0.002 0.000 0.255 494 D C 1.054 177.387 176.300 0.055 0.000 1.300 494 D CA 0.214 54.215 54.000 0.002 0.000 0.959 494 D CB 0.926 41.718 40.800 -0.013 0.000 1.064 494 D HN 0.656 nan 8.370 nan 0.000 0.509 495 E N 1.361 121.584 120.200 0.038 0.000 2.418 495 E HA -0.096 4.255 4.350 0.002 0.000 0.197 495 E C 1.254 177.890 176.600 0.059 0.000 1.026 495 E CA 0.572 56.998 56.400 0.043 0.000 0.862 495 E CB 0.329 30.041 29.700 0.019 0.000 0.799 495 E HN 0.311 nan 8.360 nan 0.000 0.518 496 T N -0.482 114.116 114.554 0.075 0.000 3.081 496 T HA -0.041 4.310 4.350 0.002 0.000 0.250 496 T C -0.315 174.445 174.700 0.100 0.000 1.100 496 T CA -0.255 61.886 62.100 0.068 0.000 1.038 496 T CB -0.080 68.820 68.868 0.053 0.000 0.962 496 T HN 0.117 nan 8.240 nan 0.000 0.516 497 Y N 2.373 122.675 120.300 0.004 0.000 2.402 497 Y HA 0.419 4.970 4.550 0.002 0.000 0.333 497 Y C -0.407 175.499 175.900 0.011 0.000 1.076 497 Y CA -1.069 57.037 58.100 0.010 0.000 1.299 497 Y CB 0.515 38.983 38.460 0.012 0.000 1.197 497 Y HN -0.175 nan 8.280 nan 0.000 0.517 498 V N 9.545 129.110 119.914 -0.583 0.000 2.408 498 V HA 0.228 4.349 4.120 0.002 0.000 0.267 498 V C -1.977 173.638 176.094 -0.798 0.000 1.047 498 V CA -1.941 60.058 62.300 -0.501 0.000 0.937 498 V CB 0.381 32.035 31.823 -0.282 0.000 0.999 498 V HN 0.757 nan 8.190 nan 0.000 0.472 499 P HA 0.016 nan 4.420 nan 0.000 0.263 499 P C -0.126 177.114 177.300 -0.101 0.000 1.175 499 P CA -0.003 62.983 63.100 -0.190 0.000 0.761 499 P CB 0.433 32.090 31.700 -0.071 0.000 0.794 500 K N 2.944 123.397 120.400 0.088 0.000 2.448 500 K HA 0.021 4.342 4.320 0.002 0.000 0.278 500 K C 0.229 176.989 176.600 0.266 0.000 1.009 500 K CA -0.028 56.357 56.287 0.164 0.000 0.995 500 K CB 0.309 32.961 32.500 0.253 0.000 0.917 500 K HN 0.419 nan 8.250 nan 0.000 0.481 501 E N 2.643 122.954 120.200 0.186 0.000 2.392 501 E HA -0.054 4.297 4.350 0.002 0.000 0.264 501 E C -0.340 176.407 176.600 0.245 0.000 1.024 501 E CA -0.168 56.368 56.400 0.225 0.000 0.903 501 E CB 0.412 30.189 29.700 0.129 0.000 0.963 501 E HN 0.369 nan 8.360 nan 0.000 0.432 502 F N 3.260 123.272 119.950 0.104 0.000 2.607 502 F HA -0.008 4.520 4.527 0.002 0.000 0.374 502 F C 0.194 176.004 175.800 0.016 0.000 1.104 502 F CA 0.286 58.233 58.000 -0.089 0.000 1.296 502 F CB 0.234 39.176 39.000 -0.097 0.000 1.085 502 F HN 0.264 nan 8.300 nan 0.000 0.584 503 N N 4.222 122.484 118.700 -0.730 0.000 2.519 503 N HA 0.444 5.185 4.740 0.002 0.000 0.286 503 N C 0.106 175.192 175.510 -0.706 0.000 1.079 503 N CA 0.085 52.805 53.050 -0.550 0.000 0.878 503 N CB 1.677 39.991 38.487 -0.288 0.000 1.375 503 N HN 0.645 nan 8.380 nan 0.000 0.514 504 A N 3.196 125.685 122.820 -0.551 0.000 1.902 504 A HA -0.105 4.216 4.320 0.002 0.000 0.217 504 A C 1.571 179.080 177.584 -0.125 0.000 1.181 504 A CA 1.516 53.382 52.037 -0.285 0.000 0.623 504 A CB -0.424 18.541 19.000 -0.059 0.000 0.818 504 A HN 0.756 nan 8.150 nan 0.000 0.443 505 E N -0.304 119.809 120.200 -0.145 0.000 2.085 505 E HA -0.134 4.217 4.350 0.002 0.000 0.194 505 E C 1.992 178.488 176.600 -0.173 0.000 0.994 505 E CA 1.823 58.152 56.400 -0.119 0.000 0.801 505 E CB -0.717 28.912 29.700 -0.118 0.000 0.743 505 E HN 0.571 nan 8.360 nan 0.000 0.453 506 T N 0.184 114.546 114.554 -0.319 0.000 2.803 506 T HA -0.141 4.210 4.350 0.002 0.000 0.269 506 T C 0.347 174.655 174.700 -0.654 0.000 1.052 506 T CA 1.035 62.800 62.100 -0.559 0.000 1.136 506 T CB -0.227 68.134 68.868 -0.844 0.000 0.864 506 T HN 0.082 nan 8.240 nan 0.000 0.467 507 F N 1.296 121.206 119.950 -0.067 0.000 2.848 507 F HA 0.449 4.977 4.527 0.002 0.000 0.321 507 F C 0.702 176.570 175.800 0.112 0.000 1.281 507 F CA -0.666 57.357 58.000 0.038 0.000 1.209 507 F CB 0.152 39.188 39.000 0.059 0.000 1.152 507 F HN -0.085 nan 8.300 nan 0.000 0.521 508 T N -0.147 114.529 114.554 0.203 0.000 2.841 508 T HA 0.591 4.942 4.350 0.002 0.000 0.276 508 T C -0.199 174.708 174.700 0.345 0.000 1.003 508 T CA -0.487 61.756 62.100 0.239 0.000 0.995 508 T CB 0.851 69.765 68.868 0.078 0.000 1.260 508 T HN 0.135 nan 8.240 nan 0.000 0.581 509 F N -0.097 120.027 119.950 0.290 0.000 2.362 509 F HA 0.698 5.226 4.527 0.002 0.000 0.340 509 F C 0.969 176.861 175.800 0.154 0.000 1.088 509 F CA -0.267 57.935 58.000 0.336 0.000 1.096 509 F CB 0.447 39.748 39.000 0.501 0.000 1.486 509 F HN 0.769 nan 8.300 nan 0.000 0.500 510 H N -1.515 117.561 119.070 0.010 0.000 2.707 510 H HA 0.307 4.864 4.556 0.002 0.000 0.180 510 H C 1.163 176.337 175.328 -0.256 0.000 0.931 510 H CA 0.773 56.684 56.048 -0.228 0.000 0.818 510 H CB 0.298 29.960 29.762 -0.168 0.000 0.876 510 H HN 1.010 nan 8.280 nan 0.000 0.533 511 A N 0.581 122.899 122.820 -0.836 0.000 4.411 511 A HA -0.372 3.949 4.320 0.002 0.000 0.252 511 A C 1.477 178.874 177.584 -0.312 0.000 0.659 511 A CA 2.454 53.995 52.037 -0.827 0.000 1.147 511 A CB -2.146 16.699 19.000 -0.259 0.000 1.142 511 A HN 0.580 nan 8.150 nan 0.000 0.682 512 D N -0.784 119.506 120.400 -0.184 0.000 2.328 512 D HA 0.253 4.894 4.640 0.002 0.000 0.221 512 D C 1.230 177.665 176.300 0.224 0.000 1.072 512 D CA 0.496 54.531 54.000 0.058 0.000 0.850 512 D CB -0.329 40.479 40.800 0.013 0.000 0.922 512 D HN 0.646 nan 8.370 nan 0.000 0.516 513 I N 0.074 120.732 120.570 0.145 0.000 2.361 513 I HA -0.154 4.017 4.170 0.002 0.000 0.251 513 I C 0.491 176.659 176.117 0.085 0.000 1.133 513 I CA 0.257 61.613 61.300 0.094 0.000 1.413 513 I CB -0.003 38.070 38.000 0.122 0.000 1.073 513 I HN 0.096 nan 8.210 nan 0.000 0.424 514 c N 1.177 119.823 118.600 0.078 0.000 2.758 514 c HA 0.084 4.655 4.570 0.002 0.000 0.371 514 c C 1.974 176.095 174.090 0.051 0.000 1.342 514 c CA 0.486 56.858 56.329 0.072 0.000 2.257 514 c CB 0.397 42.955 42.510 0.081 0.000 2.621 514 c HN 0.742 nan 8.230 nan 0.000 0.730 515 T N -2.516 112.061 114.554 0.038 0.000 8.089 515 T HA -0.267 4.084 4.350 0.002 0.000 0.315 515 T C -0.103 174.614 174.700 0.029 0.000 2.025 515 T CA 1.412 63.529 62.100 0.029 0.000 3.021 515 T CB -2.109 66.775 68.868 0.027 0.000 2.356 515 T HN 0.652 nan 8.240 nan 0.000 1.220 516 L N 2.496 123.739 121.223 0.033 0.000 2.371 516 L HA 0.517 4.858 4.340 0.002 0.000 0.272 516 L C 1.452 178.332 176.870 0.016 0.000 1.124 516 L CA -0.179 54.676 54.840 0.025 0.000 0.816 516 L CB 1.179 43.252 42.059 0.024 0.000 1.129 516 L HN 0.635 nan 8.230 nan 0.000 0.448 517 S N 1.151 116.857 115.700 0.010 0.000 2.587 517 S HA -0.034 4.437 4.470 0.002 0.000 0.260 517 S C 0.873 175.471 174.600 -0.004 0.000 1.353 517 S CA -0.344 57.859 58.200 0.004 0.000 0.995 517 S CB 1.238 64.441 63.200 0.005 0.000 0.912 517 S HN 0.686 nan 8.310 nan 0.000 0.568 518 E N 1.913 122.105 120.200 -0.013 0.000 2.007 518 E HA -0.246 4.105 4.350 0.002 0.000 0.203 518 E C 2.066 178.642 176.600 -0.041 0.000 1.020 518 E CA 2.430 58.809 56.400 -0.036 0.000 0.845 518 E CB -0.541 29.135 29.700 -0.040 0.000 0.779 518 E HN 0.827 nan 8.360 nan 0.000 0.466 519 K N 0.300 120.685 120.400 -0.025 0.000 2.090 519 K HA -0.329 3.992 4.320 0.002 0.000 0.218 519 K C 2.105 178.703 176.600 -0.003 0.000 1.055 519 K CA 2.238 58.519 56.287 -0.010 0.000 0.941 519 K CB -0.780 31.724 32.500 0.006 0.000 0.722 519 K HN 0.261 nan 8.250 nan 0.000 0.458 520 E N 0.411 120.611 120.200 -0.000 0.000 2.110 520 E HA -0.150 4.201 4.350 0.002 0.000 0.193 520 E C 2.372 178.978 176.600 0.010 0.000 0.988 520 E CA 0.999 57.401 56.400 0.003 0.000 0.804 520 E CB -0.080 29.620 29.700 0.000 0.000 0.745 520 E HN 0.340 nan 8.360 nan 0.000 0.458 521 R N 0.761 121.268 120.500 0.011 0.000 2.090 521 R HA -0.112 4.229 4.340 0.002 0.000 0.228 521 R C 2.247 178.578 176.300 0.051 0.000 1.110 521 R CA 1.205 57.327 56.100 0.037 0.000 0.973 521 R CB 0.133 30.454 30.300 0.036 0.000 0.869 521 R HN 0.169 nan 8.270 nan 0.000 0.440 522 Q N 0.025 119.819 119.800 -0.010 0.000 2.079 522 Q HA -0.133 4.208 4.340 0.002 0.000 0.200 522 Q C 2.065 178.135 176.000 0.118 0.000 0.974 522 Q CA 1.202 57.009 55.803 0.006 0.000 0.840 522 Q CB 0.029 28.653 28.738 -0.190 0.000 0.898 522 Q HN 0.336 nan 8.270 nan 0.000 0.430 523 I N 1.013 121.624 120.570 0.068 0.000 2.208 523 I HA -0.297 3.874 4.170 0.002 0.000 0.245 523 I C 2.211 178.359 176.117 0.050 0.000 1.097 523 I CA 1.562 62.897 61.300 0.059 0.000 1.363 523 I CB -0.675 37.342 38.000 0.029 0.000 1.051 523 I HN 0.231 nan 8.210 nan 0.000 0.413 524 K N 1.092 121.521 120.400 0.050 0.000 2.057 524 K HA -0.160 4.161 4.320 0.002 0.000 0.206 524 K C 2.127 178.764 176.600 0.061 0.000 1.050 524 K CA 1.305 57.616 56.287 0.041 0.000 0.935 524 K CB 0.082 32.609 32.500 0.045 0.000 0.715 524 K HN 0.167 nan 8.250 nan 0.000 0.439 525 K N 0.267 120.736 120.400 0.114 0.000 2.097 525 K HA -0.150 4.171 4.320 0.002 0.000 0.205 525 K C 2.196 178.810 176.600 0.025 0.000 1.050 525 K CA 1.436 57.767 56.287 0.074 0.000 0.938 525 K CB 0.039 32.675 32.500 0.227 0.000 0.718 525 K HN 0.180 nan 8.250 nan 0.000 0.442 526 Q N -0.174 119.677 119.800 0.084 0.000 2.119 526 Q HA -0.097 4.244 4.340 0.002 0.000 0.201 526 Q C 1.992 177.998 176.000 0.010 0.000 0.972 526 Q CA 1.584 57.419 55.803 0.053 0.000 0.847 526 Q CB -0.006 28.784 28.738 0.087 0.000 0.903 526 Q HN 0.267 nan 8.270 nan 0.000 0.433 527 T N 0.810 115.365 114.554 0.002 0.000 2.720 527 T HA -0.207 4.144 4.350 0.002 0.000 0.268 527 T C 1.853 176.531 174.700 -0.038 0.000 1.037 527 T CA 1.332 63.418 62.100 -0.023 0.000 1.144 527 T CB -0.279 68.568 68.868 -0.035 0.000 0.864 527 T HN 0.409 nan 8.240 nan 0.000 0.444 528 A N 0.870 123.660 122.820 -0.049 0.000 1.969 528 A HA 0.044 4.365 4.320 0.002 0.000 0.218 528 A C 2.195 179.800 177.584 0.035 0.000 1.169 528 A CA 0.995 53.005 52.037 -0.045 0.000 0.635 528 A CB -0.627 18.308 19.000 -0.108 0.000 0.810 528 A HN 0.394 nan 8.150 nan 0.000 0.445 529 L N -0.021 121.197 121.223 -0.009 0.000 2.005 529 L HA -0.086 4.255 4.340 0.002 0.000 0.207 529 L C 2.410 179.310 176.870 0.050 0.000 1.072 529 L CA 1.886 56.735 54.840 0.015 0.000 0.744 529 L CB -0.757 41.291 42.059 -0.017 0.000 0.895 529 L HN 0.152 nan 8.230 nan 0.000 0.433 530 V N 0.220 120.152 119.914 0.029 0.000 2.278 530 V HA -0.318 3.803 4.120 0.002 0.000 0.251 530 V C 2.682 178.822 176.094 0.076 0.000 1.062 530 V CA 2.112 64.432 62.300 0.034 0.000 1.038 530 V CB -0.762 31.067 31.823 0.010 0.000 0.646 530 V HN 0.497 nan 8.190 nan 0.000 0.447 531 E N -0.343 119.908 120.200 0.085 0.000 2.106 531 E HA -0.197 4.154 4.350 0.002 0.000 0.192 531 E C 2.128 178.943 176.600 0.357 0.000 0.984 531 E CA 1.136 57.622 56.400 0.143 0.000 0.806 531 E CB -0.419 29.252 29.700 -0.048 0.000 0.750 531 E HN 0.512 nan 8.360 nan 0.000 0.458 532 L N 0.877 122.337 121.223 0.394 0.000 2.046 532 L HA -0.148 4.193 4.340 0.002 0.000 0.208 532 L C 2.238 179.246 176.870 0.229 0.000 1.077 532 L CA 1.329 56.367 54.840 0.331 0.000 0.747 532 L CB -0.415 41.758 42.059 0.190 0.000 0.896 532 L HN -0.117 nan 8.230 nan 0.000 0.432 533 V N -0.355 119.653 119.914 0.157 0.000 2.358 533 V HA -0.258 3.863 4.120 0.002 0.000 0.246 533 V C 2.574 178.749 176.094 0.134 0.000 1.047 533 V CA 1.931 64.294 62.300 0.106 0.000 1.035 533 V CB -0.763 31.090 31.823 0.051 0.000 0.658 533 V HN 0.446 nan 8.190 nan 0.000 0.452 534 K N -0.486 120.015 120.400 0.168 0.000 2.103 534 K HA -0.250 4.071 4.320 0.002 0.000 0.207 534 K C 2.245 179.055 176.600 0.349 0.000 1.048 534 K CA 1.900 58.328 56.287 0.234 0.000 0.930 534 K CB -0.321 32.311 32.500 0.220 0.000 0.716 534 K HN 0.532 nan 8.250 nan 0.000 0.444 535 H N 0.710 119.917 119.070 0.228 0.000 2.389 535 H HA 0.028 4.585 4.556 0.002 0.000 0.299 535 H C -0.110 175.304 175.328 0.142 0.000 1.081 535 H CA 1.252 57.425 56.048 0.209 0.000 1.345 535 H CB 0.454 30.366 29.762 0.249 0.000 1.393 535 H HN -0.179 nan 8.280 nan 0.000 0.520 536 K N 0.152 120.581 120.400 0.047 0.000 2.920 536 K HA 0.180 4.501 4.320 0.002 0.000 0.175 536 K C -2.414 174.199 176.600 0.022 0.000 1.099 536 K CA -1.453 54.805 56.287 -0.049 0.000 0.939 536 K CB 1.745 34.206 32.500 -0.065 0.000 1.148 536 K HN 0.197 nan 8.250 nan 0.000 0.613 537 P HA -0.127 nan 4.420 nan 0.000 0.222 537 P C 0.227 177.541 177.300 0.024 0.000 1.147 537 P CA 1.125 64.260 63.100 0.058 0.000 0.790 537 P CB 0.302 32.074 31.700 0.121 0.000 0.780 538 K N -1.223 119.184 120.400 0.012 0.000 2.372 538 K HA 0.379 4.700 4.320 0.002 0.000 0.200 538 K C 0.666 177.262 176.600 -0.007 0.000 1.022 538 K CA -0.187 56.100 56.287 0.000 0.000 1.125 538 K CB -0.028 32.470 32.500 -0.003 0.000 0.855 538 K HN -0.050 nan 8.250 nan 0.000 0.524 539 A N 1.288 124.104 122.820 -0.008 0.000 2.511 539 A HA 0.122 4.443 4.320 0.002 0.000 0.242 539 A C 0.536 178.117 177.584 -0.004 0.000 1.069 539 A CA 0.125 52.156 52.037 -0.009 0.000 0.763 539 A CB 0.131 19.128 19.000 -0.006 0.000 1.001 539 A HN 0.256 nan 8.150 nan 0.000 0.498 540 T N 0.405 114.956 114.554 -0.005 0.000 2.770 540 T HA 0.162 4.513 4.350 0.002 0.000 0.281 540 T C 1.492 176.193 174.700 0.001 0.000 0.981 540 T CA -0.024 62.074 62.100 -0.002 0.000 0.955 540 T CB 0.457 69.323 68.868 -0.003 0.000 1.060 540 T HN 0.680 nan 8.240 nan 0.000 0.531 541 K N -0.084 120.318 120.400 0.003 0.000 2.097 541 K HA -0.117 4.204 4.320 0.002 0.000 0.206 541 K C 2.028 178.633 176.600 0.008 0.000 1.049 541 K CA 1.660 57.950 56.287 0.006 0.000 0.933 541 K CB -0.094 32.411 32.500 0.008 0.000 0.717 541 K HN 0.559 nan 8.250 nan 0.000 0.442 542 E N 0.759 120.963 120.200 0.007 0.000 2.112 542 E HA -0.139 4.212 4.350 0.002 0.000 0.190 542 E C 1.773 178.378 176.600 0.008 0.000 0.979 542 E CA 1.357 57.762 56.400 0.008 0.000 0.814 542 E CB 0.141 29.844 29.700 0.006 0.000 0.762 542 E HN 0.283 nan 8.360 nan 0.000 0.460 543 Q N -0.210 119.592 119.800 0.004 0.000 2.079 543 Q HA -0.039 4.302 4.340 0.002 0.000 0.200 543 Q C 2.299 178.304 176.000 0.008 0.000 0.974 543 Q CA 1.292 57.097 55.803 0.002 0.000 0.840 543 Q CB -0.077 28.658 28.738 -0.005 0.000 0.898 543 Q HN 0.317 nan 8.270 nan 0.000 0.430 544 L N 0.674 121.903 121.223 0.009 0.000 2.141 544 L HA -0.190 4.151 4.340 0.002 0.000 0.209 544 L C 2.419 179.302 176.870 0.022 0.000 1.094 544 L CA 0.934 55.782 54.840 0.014 0.000 0.763 544 L CB -0.298 41.767 42.059 0.010 0.000 0.908 544 L HN 0.143 nan 8.230 nan 0.000 0.437 545 K N 0.965 121.378 120.400 0.022 0.000 1.985 545 K HA -0.166 4.155 4.320 0.002 0.000 0.210 545 K C 2.082 178.706 176.600 0.041 0.000 1.047 545 K CA 1.788 58.093 56.287 0.030 0.000 0.932 545 K CB -0.448 32.067 32.500 0.025 0.000 0.716 545 K HN 0.159 nan 8.250 nan 0.000 0.439 546 A N 0.407 123.247 122.820 0.034 0.000 1.948 546 A HA -0.157 4.164 4.320 0.002 0.000 0.220 546 A C 2.427 180.043 177.584 0.053 0.000 1.177 546 A CA 2.038 54.098 52.037 0.038 0.000 0.636 546 A CB -1.032 17.982 19.000 0.024 0.000 0.815 546 A HN 0.262 nan 8.150 nan 0.000 0.449 547 V N -0.561 119.383 119.914 0.049 0.000 2.379 547 V HA -0.184 3.937 4.120 0.002 0.000 0.245 547 V C 2.386 178.552 176.094 0.121 0.000 1.044 547 V CA 2.131 64.470 62.300 0.064 0.000 1.036 547 V CB -0.403 31.440 31.823 0.032 0.000 0.664 547 V HN 0.515 nan 8.190 nan 0.000 0.453 548 M N -0.325 119.340 119.600 0.108 0.000 2.132 548 M HA -0.106 4.375 4.480 0.002 0.000 0.263 548 M C 1.931 178.362 176.300 0.218 0.000 1.065 548 M CA 1.750 57.144 55.300 0.156 0.000 1.122 548 M CB -1.503 31.153 32.600 0.095 0.000 1.365 548 M HN 0.366 nan 8.290 nan 0.000 0.411 549 D N 0.604 121.092 120.400 0.148 0.000 2.178 549 D HA -0.142 4.499 4.640 0.002 0.000 0.201 549 D C 1.547 177.934 176.300 0.145 0.000 0.980 549 D CA 1.133 55.214 54.000 0.134 0.000 0.842 549 D CB -0.267 40.585 40.800 0.088 0.000 0.948 549 D HN 0.296 nan 8.370 nan 0.000 0.472 550 D N -0.663 119.825 120.400 0.146 0.000 2.144 550 D HA -0.101 4.540 4.640 0.002 0.000 0.200 550 D C 1.675 178.100 176.300 0.209 0.000 0.978 550 D CA 0.325 54.408 54.000 0.138 0.000 0.833 550 D CB -0.302 40.556 40.800 0.097 0.000 0.961 550 D HN 0.170 nan 8.370 nan 0.000 0.470 551 F N 1.412 121.442 119.950 0.134 0.000 2.113 551 F HA -0.111 4.416 4.527 0.001 0.000 0.297 551 F C 2.173 178.134 175.800 0.268 0.000 1.103 551 F CA 1.577 59.714 58.000 0.228 0.000 1.248 551 F CB -0.323 38.799 39.000 0.202 0.000 0.999 551 F HN -0.052 nan 8.300 nan 0.000 0.475 552 A N 0.438 123.437 122.820 0.298 0.000 1.940 552 A HA -0.127 4.194 4.320 0.002 0.000 0.219 552 A C 2.352 179.946 177.584 0.016 0.000 1.176 552 A CA 1.940 54.072 52.037 0.158 0.000 0.631 552 A CB -1.574 17.556 19.000 0.216 0.000 0.814 552 A HN 0.536 nan 8.150 nan 0.000 0.446 553 A N -1.308 121.542 122.820 0.050 0.000 1.968 553 A HA 0.096 4.417 4.320 0.002 0.000 0.217 553 A C 1.980 179.549 177.584 -0.026 0.000 1.169 553 A CA 1.363 53.408 52.037 0.014 0.000 0.638 553 A CB -0.630 18.396 19.000 0.044 0.000 0.812 553 A HN 0.798 nan 8.150 nan 0.000 0.446 554 F N 0.823 120.666 119.950 -0.179 0.000 2.113 554 F HA -0.124 4.403 4.527 0.001 0.000 0.297 554 F C 2.012 177.597 175.800 -0.357 0.000 1.103 554 F CA 1.935 59.785 58.000 -0.250 0.000 1.248 554 F CB -0.484 38.377 39.000 -0.230 0.000 0.999 554 F HN 0.001 nan 8.300 nan 0.000 0.475 555 V N 0.541 120.030 119.914 -0.708 0.000 2.343 555 V HA -0.278 3.843 4.120 0.002 0.000 0.247 555 V C 2.370 178.209 176.094 -0.425 0.000 1.051 555 V CA 2.266 64.149 62.300 -0.695 0.000 1.036 555 V CB -0.768 30.814 31.823 -0.401 0.000 0.654 555 V HN 0.294 nan 8.190 nan 0.000 0.451 556 E N 0.106 120.150 120.200 -0.260 0.000 2.110 556 E HA -0.232 4.119 4.350 0.002 0.000 0.193 556 E C 2.269 178.753 176.600 -0.193 0.000 0.988 556 E CA 1.386 57.690 56.400 -0.160 0.000 0.804 556 E CB -0.217 29.429 29.700 -0.089 0.000 0.745 556 E HN 0.553 nan 8.360 nan 0.000 0.458 557 K N -0.498 119.751 120.400 -0.252 0.000 2.057 557 K HA -0.107 4.214 4.320 0.002 0.000 0.206 557 K C 1.609 178.018 176.600 -0.319 0.000 1.050 557 K CA 1.531 57.676 56.287 -0.235 0.000 0.935 557 K CB -0.165 32.218 32.500 -0.195 0.000 0.715 557 K HN 0.224 nan 8.250 nan 0.000 0.439 558 c N 0.132 118.389 118.600 -0.572 0.000 2.563 558 c HA 0.119 4.690 4.570 0.002 0.000 0.268 558 c C 2.491 176.382 174.090 -0.331 0.000 1.365 558 c CA -0.328 55.585 56.329 -0.693 0.000 1.754 558 c CB -0.860 40.677 42.510 -1.622 0.000 1.932 558 c HN 0.637 nan 8.230 nan 0.000 0.536 559 c N 1.522 120.009 118.600 -0.189 0.000 2.495 559 c HA -0.021 4.550 4.570 0.002 0.000 0.275 559 c C 2.496 176.577 174.090 -0.015 0.000 1.392 559 c CA 0.810 57.147 56.329 0.013 0.000 1.766 559 c CB -1.082 41.446 42.510 0.030 0.000 1.933 559 c HN 0.731 nan 8.230 nan 0.000 0.519 560 K N 0.733 121.096 120.400 -0.063 0.000 2.358 560 K HA 0.368 4.689 4.320 0.002 0.000 0.200 560 K C 0.631 177.201 176.600 -0.049 0.000 1.030 560 K CA 0.169 56.429 56.287 -0.045 0.000 1.097 560 K CB 0.180 32.653 32.500 -0.045 0.000 0.862 560 K HN 0.241 nan 8.250 nan 0.000 0.534 561 A N 1.961 124.738 122.820 -0.071 0.000 2.448 561 A HA 0.008 4.329 4.320 0.002 0.000 0.239 561 A C 0.213 177.778 177.584 -0.033 0.000 1.080 561 A CA 0.016 52.014 52.037 -0.064 0.000 0.779 561 A CB 0.224 19.167 19.000 -0.095 0.000 1.026 561 A HN 0.221 nan 8.150 nan 0.000 0.499 562 D N -0.206 120.177 120.400 -0.028 0.000 2.103 562 D HA -0.042 4.599 4.640 0.002 0.000 0.199 562 D C 0.111 176.405 176.300 -0.009 0.000 0.978 562 D CA 1.488 55.479 54.000 -0.015 0.000 0.829 562 D CB 0.044 40.836 40.800 -0.014 0.000 0.981 562 D HN 0.593 nan 8.370 nan 0.000 0.464 563 D N 0.249 120.640 120.400 -0.015 0.000 2.485 563 D HA 0.104 4.745 4.640 0.002 0.000 0.221 563 D C 0.668 176.962 176.300 -0.010 0.000 1.112 563 D CA -0.137 53.858 54.000 -0.009 0.000 0.911 563 D CB 0.534 41.327 40.800 -0.012 0.000 1.019 563 D HN -0.097 nan 8.370 nan 0.000 0.516 564 K N 1.692 122.104 120.400 0.021 0.000 2.062 564 K HA -0.114 4.207 4.320 0.002 0.000 0.205 564 K C 1.280 177.961 176.600 0.135 0.000 1.051 564 K CA 1.042 57.379 56.287 0.083 0.000 0.941 564 K CB 0.395 32.981 32.500 0.143 0.000 0.719 564 K HN 0.245 nan 8.250 nan 0.000 0.440 565 E N 0.123 120.355 120.200 0.053 0.000 2.106 565 E HA -0.098 4.253 4.350 0.002 0.000 0.192 565 E C 1.904 178.370 176.600 -0.223 0.000 0.984 565 E CA 1.308 57.678 56.400 -0.052 0.000 0.806 565 E CB -0.323 29.419 29.700 0.070 0.000 0.750 565 E HN 0.164 nan 8.360 nan 0.000 0.458 566 T N -0.061 114.437 114.554 -0.094 0.000 2.821 566 T HA -0.177 4.174 4.350 0.002 0.000 0.267 566 T C 1.995 176.624 174.700 -0.119 0.000 1.046 566 T CA 1.187 63.233 62.100 -0.089 0.000 1.139 566 T CB -0.540 68.306 68.868 -0.036 0.000 0.871 566 T HN 0.370 nan 8.240 nan 0.000 0.454 567 c N 0.654 119.181 118.600 -0.121 0.000 2.453 567 c HA -0.025 4.546 4.570 0.002 0.000 0.277 567 c C 2.318 176.295 174.090 -0.188 0.000 1.262 567 c CA 0.244 56.482 56.329 -0.153 0.000 1.718 567 c CB -1.679 40.705 42.510 -0.208 0.000 2.031 567 c HN 0.519 nan 8.230 nan 0.000 0.480 568 F N 1.812 121.562 119.950 -0.334 0.000 2.095 568 F HA -0.084 4.444 4.527 0.002 0.000 0.298 568 F C 2.601 178.179 175.800 -0.370 0.000 1.104 568 F CA 2.073 59.853 58.000 -0.366 0.000 1.232 568 F CB -0.820 37.762 39.000 -0.697 0.000 0.987 568 F HN 0.315 nan 8.300 nan 0.000 0.475 569 A N -0.347 122.122 122.820 -0.585 0.000 1.855 569 A HA -0.175 4.146 4.320 0.002 0.000 0.215 569 A C 2.115 179.738 177.584 0.065 0.000 1.191 569 A CA 1.864 53.833 52.037 -0.114 0.000 0.613 569 A CB -0.706 18.278 19.000 -0.026 0.000 0.829 569 A HN 0.434 nan 8.150 nan 0.000 0.442 570 E N -0.678 119.526 120.200 0.008 0.000 2.086 570 E HA -0.089 4.262 4.350 0.002 0.000 0.190 570 E C 1.707 178.331 176.600 0.042 0.000 0.975 570 E CA 0.719 57.138 56.400 0.031 0.000 0.813 570 E CB -0.080 29.626 29.700 0.010 0.000 0.768 570 E HN 0.431 nan 8.360 nan 0.000 0.457 571 E N 0.354 120.595 120.200 0.068 0.000 2.418 571 E HA -0.062 4.289 4.350 0.002 0.000 0.197 571 E C 1.900 178.502 176.600 0.002 0.000 1.026 571 E CA 0.544 57.008 56.400 0.106 0.000 0.862 571 E CB -0.183 29.640 29.700 0.206 0.000 0.799 571 E HN 0.329 nan 8.360 nan 0.000 0.518 572 G N 1.316 110.141 108.800 0.042 0.000 2.394 572 G HA2 -0.234 3.727 3.960 0.002 0.000 0.214 572 G HA3 -0.234 3.727 3.960 0.002 0.000 0.214 572 G C 1.610 176.461 174.900 -0.081 0.000 1.176 572 G CA 0.325 45.340 45.100 -0.141 0.000 0.786 572 G HN 0.223 nan 8.290 nan 0.000 0.533 573 K N 0.407 120.820 120.400 0.022 0.000 2.147 573 K HA -0.048 4.273 4.320 0.002 0.000 0.205 573 K C 2.520 179.114 176.600 -0.010 0.000 1.049 573 K CA 0.982 57.289 56.287 0.034 0.000 0.936 573 K CB 0.061 32.595 32.500 0.057 0.000 0.722 573 K HN 0.079 nan 8.250 nan 0.000 0.446 574 K N 0.833 121.213 120.400 -0.034 0.000 2.057 574 K HA -0.125 4.196 4.320 0.002 0.000 0.206 574 K C 2.093 178.652 176.600 -0.069 0.000 1.050 574 K CA 0.852 57.115 56.287 -0.040 0.000 0.935 574 K CB -0.648 31.835 32.500 -0.028 0.000 0.715 574 K HN 0.084 nan 8.250 nan 0.000 0.439 575 L N 1.392 122.531 121.223 -0.139 0.000 1.989 575 L HA -0.142 4.199 4.340 0.002 0.000 0.211 575 L C 2.209 179.025 176.870 -0.090 0.000 1.071 575 L CA 1.407 56.154 54.840 -0.155 0.000 0.749 575 L CB -0.648 41.200 42.059 -0.352 0.000 0.890 575 L HN -0.106 nan 8.230 nan 0.000 0.431 576 V N 0.225 120.096 119.914 -0.071 0.000 2.324 576 V HA -0.378 3.743 4.120 0.002 0.000 0.250 576 V C 2.790 178.844 176.094 -0.068 0.000 1.060 576 V CA 1.894 64.172 62.300 -0.037 0.000 1.042 576 V CB -1.330 30.525 31.823 0.053 0.000 0.650 576 V HN 0.671 nan 8.190 nan 0.000 0.450 577 A N -0.219 122.570 122.820 -0.051 0.000 1.873 577 A HA 0.137 4.458 4.320 0.002 0.000 0.215 577 A C 1.648 179.197 177.584 -0.058 0.000 1.186 577 A CA 1.105 53.110 52.037 -0.053 0.000 0.616 577 A CB -0.618 18.363 19.000 -0.032 0.000 0.823 577 A HN 0.669 nan 8.150 nan 0.000 0.442 578 A N 0.615 123.405 122.820 -0.049 0.000 2.476 578 A HA 0.521 4.842 4.320 0.002 0.000 0.275 578 A C 0.496 178.051 177.584 -0.048 0.000 1.133 578 A CA 0.571 52.584 52.037 -0.041 0.000 0.797 578 A CB -0.690 18.293 19.000 -0.028 0.000 1.081 578 A HN 1.390 nan 8.150 nan 0.000 0.510 579 S N 0.000 115.669 115.700 -0.051 0.000 2.498 579 S HA 0.000 4.471 4.470 0.002 0.000 0.327 579 S CA 0.000 58.166 58.200 -0.056 0.000 1.107 579 S CB 0.000 63.148 63.200 -0.086 0.000 0.593 579 S HN 0.000 nan 8.310 nan 0.000 0.517