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 2bxg_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 LVAASQAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.656 174.600 0.093 0.000 1.055 5 S CA 0.000 58.235 58.200 0.059 0.000 1.107 5 S CB 0.000 63.227 63.200 0.044 0.000 0.593 6 E N 2.865 123.122 120.200 0.095 0.000 2.127 6 E HA 0.153 4.385 4.350 -0.198 0.000 0.191 6 E C 1.722 178.416 176.600 0.157 0.000 0.964 6 E CA 1.595 58.078 56.400 0.138 0.000 0.832 6 E CB -0.231 29.527 29.700 0.096 0.000 0.790 6 E HN 0.509 nan 8.360 nan 0.000 0.465 7 V N 1.292 121.271 119.914 0.109 0.000 2.469 7 V HA -0.272 3.729 4.120 -0.198 0.000 0.251 7 V C 2.327 178.529 176.094 0.180 0.000 1.064 7 V CA 1.840 64.234 62.300 0.158 0.000 1.066 7 V CB -1.027 30.790 31.823 -0.009 0.000 0.667 7 V HN 0.392 nan 8.190 nan 0.000 0.461 8 A N -0.580 122.306 122.820 0.109 0.000 1.897 8 A HA -0.228 3.973 4.320 -0.198 0.000 0.215 8 A C 2.217 179.930 177.584 0.214 0.000 1.181 8 A CA 1.707 53.799 52.037 0.093 0.000 0.620 8 A CB -0.786 18.235 19.000 0.036 0.000 0.821 8 A HN 0.639 nan 8.150 nan 0.000 0.443 9 H N 0.707 119.836 119.070 0.099 0.000 2.265 9 H HA -0.140 4.298 4.556 -0.196 0.000 0.295 9 H C 2.161 177.576 175.328 0.144 0.000 1.084 9 H CA 2.255 58.364 56.048 0.103 0.000 1.261 9 H CB -0.169 29.642 29.762 0.083 0.000 1.360 9 H HN 0.268 nan 8.280 nan 0.000 0.487 10 R N -0.365 120.276 120.500 0.236 0.000 2.081 10 R HA -0.134 4.088 4.340 -0.198 0.000 0.235 10 R C 2.565 179.049 176.300 0.307 0.000 1.131 10 R CA 1.108 57.317 56.100 0.181 0.000 0.960 10 R CB -1.599 28.820 30.300 0.198 0.000 0.856 10 R HN 0.361 nan 8.270 nan 0.000 0.436 11 F N 2.563 122.618 119.950 0.175 0.000 2.069 11 F HA -0.298 4.111 4.527 -0.197 0.000 0.298 11 F C 2.392 178.208 175.800 0.028 0.000 1.113 11 F CA 1.940 59.926 58.000 -0.022 0.000 1.214 11 F CB -0.290 38.514 39.000 -0.326 0.000 0.978 11 F HN -0.163 nan 8.300 nan 0.000 0.474 12 K N 0.116 120.755 120.400 0.397 0.000 2.044 12 K HA -0.221 3.981 4.320 -0.198 0.000 0.210 12 K C 1.855 178.553 176.600 0.164 0.000 1.049 12 K CA 1.774 58.226 56.287 0.275 0.000 0.927 12 K CB -1.176 31.449 32.500 0.209 0.000 0.713 12 K HN 0.534 nan 8.250 nan 0.000 0.443 13 D N 0.344 120.849 120.400 0.176 0.000 2.097 13 D HA -0.063 4.458 4.640 -0.198 0.000 0.195 13 D C 2.004 178.345 176.300 0.068 0.000 0.989 13 D CA 1.443 55.519 54.000 0.127 0.000 0.827 13 D CB -0.078 40.807 40.800 0.142 0.000 0.966 13 D HN 0.243 nan 8.370 nan 0.000 0.456 14 L N 0.004 121.257 121.223 0.051 0.000 2.209 14 L HA 0.172 4.394 4.340 -0.198 0.000 0.207 14 L C 1.415 178.246 176.870 -0.065 0.000 1.094 14 L CA 0.453 55.300 54.840 0.013 0.000 0.790 14 L CB -0.419 41.674 42.059 0.056 0.000 0.932 14 L HN 0.089 nan 8.230 nan 0.000 0.447 15 G N 0.508 109.186 108.800 -0.204 0.000 2.756 15 G HA2 -0.284 3.557 3.960 -0.198 0.000 0.678 15 G HA3 -0.284 3.557 3.960 -0.198 0.000 0.678 15 G C 0.234 174.792 174.900 -0.570 0.000 1.349 15 G CA 0.110 45.018 45.100 -0.321 0.000 0.847 15 G HN 0.236 nan 8.290 nan 0.000 0.548 16 E N -0.297 119.617 120.200 -0.477 0.000 2.031 16 E HA -0.133 4.098 4.350 -0.198 0.000 0.193 16 E C 2.235 178.783 176.600 -0.087 0.000 0.994 16 E CA 2.088 58.290 56.400 -0.330 0.000 0.800 16 E CB -0.088 29.586 29.700 -0.042 0.000 0.752 16 E HN 0.534 nan 8.360 nan 0.000 0.447 17 E N 0.766 120.944 120.200 -0.036 0.000 2.002 17 E HA -0.226 4.005 4.350 -0.198 0.000 0.205 17 E C 1.937 178.559 176.600 0.037 0.000 1.020 17 E CA 1.373 57.784 56.400 0.019 0.000 0.856 17 E CB -0.851 28.862 29.700 0.020 0.000 0.788 17 E HN 0.326 nan 8.360 nan 0.000 0.477 18 N N 0.717 119.431 118.700 0.022 0.000 2.091 18 N HA -0.195 4.426 4.740 -0.198 0.000 0.193 18 N C 1.754 177.287 175.510 0.039 0.000 1.021 18 N CA 1.016 54.082 53.050 0.027 0.000 0.862 18 N CB -0.780 37.717 38.487 0.017 0.000 1.018 18 N HN 0.132 nan 8.380 nan 0.000 0.429 19 F N 1.936 121.813 119.950 -0.122 0.000 2.091 19 F HA -0.191 4.220 4.527 -0.195 0.000 0.299 19 F C 2.146 177.938 175.800 -0.013 0.000 1.103 19 F CA 1.614 59.554 58.000 -0.100 0.000 1.228 19 F CB -0.116 38.720 39.000 -0.272 0.000 0.984 19 F HN -0.061 nan 8.300 nan 0.000 0.477 20 K N 0.107 120.661 120.400 0.256 0.000 2.026 20 K HA -0.153 4.048 4.320 -0.198 0.000 0.208 20 K C 2.326 178.959 176.600 0.056 0.000 1.048 20 K CA 1.156 57.550 56.287 0.178 0.000 0.929 20 K CB -0.620 31.978 32.500 0.163 0.000 0.713 20 K HN 0.378 nan 8.250 nan 0.000 0.439 21 A N 1.782 124.629 122.820 0.046 0.000 1.841 21 A HA -0.200 4.002 4.320 -0.198 0.000 0.216 21 A C 2.164 179.744 177.584 -0.006 0.000 1.199 21 A CA 1.538 53.594 52.037 0.032 0.000 0.621 21 A CB -1.005 18.017 19.000 0.037 0.000 0.835 21 A HN 0.194 nan 8.150 nan 0.000 0.445 22 L N -0.440 120.754 121.223 -0.048 0.000 2.051 22 L HA -0.244 3.977 4.340 -0.198 0.000 0.214 22 L C 2.510 179.334 176.870 -0.076 0.000 1.076 22 L CA 1.495 56.282 54.840 -0.089 0.000 0.758 22 L CB -0.734 41.243 42.059 -0.137 0.000 0.890 22 L HN 0.283 nan 8.230 nan 0.000 0.433 23 V N -0.393 119.480 119.914 -0.067 0.000 2.427 23 V HA -0.254 3.748 4.120 -0.198 0.000 0.248 23 V C 2.301 178.546 176.094 0.251 0.000 1.051 23 V CA 1.498 63.886 62.300 0.146 0.000 1.048 23 V CB -0.320 31.564 31.823 0.102 0.000 0.666 23 V HN 0.327 nan 8.190 nan 0.000 0.456 24 L N 0.232 121.511 121.223 0.093 0.000 2.017 24 L HA -0.112 4.110 4.340 -0.198 0.000 0.208 24 L C 2.181 179.089 176.870 0.064 0.000 1.073 24 L CA 1.927 56.813 54.840 0.077 0.000 0.745 24 L CB -0.520 41.578 42.059 0.065 0.000 0.894 24 L HN 0.231 nan 8.230 nan 0.000 0.432 25 I N -0.207 120.368 120.570 0.008 0.000 2.264 25 I HA -0.308 3.743 4.170 -0.198 0.000 0.248 25 I C 2.598 178.645 176.117 -0.117 0.000 1.111 25 I CA 1.184 62.445 61.300 -0.066 0.000 1.382 25 I CB -0.777 37.172 38.000 -0.085 0.000 1.060 25 I HN 0.389 nan 8.210 nan 0.000 0.418 26 A N 0.804 123.560 122.820 -0.106 0.000 1.873 26 A HA -0.185 4.016 4.320 -0.198 0.000 0.215 26 A C 2.108 179.542 177.584 -0.251 0.000 1.186 26 A CA 1.471 53.339 52.037 -0.282 0.000 0.616 26 A CB -0.971 17.838 19.000 -0.319 0.000 0.823 26 A HN 0.307 nan 8.150 nan 0.000 0.442 27 F N 0.234 120.119 119.950 -0.109 0.000 2.134 27 F HA -0.096 4.312 4.527 -0.199 0.000 0.299 27 F C 2.793 178.449 175.800 -0.240 0.000 1.097 27 F CA 1.089 59.070 58.000 -0.031 0.000 1.264 27 F CB -0.445 38.575 39.000 0.033 0.000 1.001 27 F HN 0.261 nan 8.300 nan 0.000 0.479 28 A N -0.461 122.242 122.820 -0.196 0.000 1.902 28 A HA -0.231 3.970 4.320 -0.198 0.000 0.217 28 A C 2.087 179.570 177.584 -0.169 0.000 1.181 28 A CA 1.643 53.513 52.037 -0.280 0.000 0.623 28 A CB -0.756 18.131 19.000 -0.189 0.000 0.818 28 A HN 0.467 nan 8.150 nan 0.000 0.443 29 Q N -2.133 117.543 119.800 -0.207 0.000 2.297 29 Q HA -0.112 4.109 4.340 -0.198 0.000 0.204 29 Q C 1.633 177.517 176.000 -0.194 0.000 0.962 29 Q CA 1.035 56.692 55.803 -0.244 0.000 0.879 29 Q CB -0.143 28.385 28.738 -0.350 0.000 0.947 29 Q HN 0.796 nan 8.270 nan 0.000 0.462 30 Y N 0.215 120.402 120.300 -0.188 0.000 2.159 30 Y HA 0.037 4.471 4.550 -0.193 0.000 0.285 30 Y C 1.429 177.273 175.900 -0.092 0.000 1.106 30 Y CA 0.532 58.506 58.100 -0.210 0.000 1.095 30 Y CB -0.390 37.833 38.460 -0.395 0.000 1.015 30 Y HN 0.011 nan 8.280 nan 0.000 0.491 31 L N 0.988 122.325 121.223 0.190 0.000 2.407 31 L HA 0.366 4.587 4.340 -0.198 0.000 0.261 31 L C 0.870 177.887 176.870 0.245 0.000 1.108 31 L CA -0.211 54.752 54.840 0.205 0.000 0.995 31 L CB -0.764 41.449 42.059 0.257 0.000 1.349 31 L HN 0.319 nan 8.230 nan 0.000 0.423 32 Q N -0.330 119.546 119.800 0.128 0.000 2.291 32 Q HA -0.202 4.020 4.340 -0.198 0.000 0.206 32 Q C 1.737 177.796 176.000 0.097 0.000 0.976 32 Q CA 2.020 57.862 55.803 0.066 0.000 0.875 32 Q CB 0.224 28.958 28.738 -0.007 0.000 0.927 32 Q HN 0.965 nan 8.270 nan 0.000 0.450 33 Q N -0.768 119.105 119.800 0.122 0.000 2.354 33 Q HA 0.045 4.266 4.340 -0.198 0.000 0.203 33 Q C 0.518 176.605 176.000 0.145 0.000 0.933 33 Q CA -0.163 55.705 55.803 0.108 0.000 0.901 33 Q CB 0.423 29.205 28.738 0.074 0.000 1.007 33 Q HN 0.252 nan 8.270 nan 0.000 0.495 34 C N 2.302 121.707 119.300 0.175 0.000 2.665 34 C HA 0.135 4.477 4.460 -0.198 0.000 0.416 34 C C -1.998 173.077 174.990 0.143 0.000 1.305 34 C CA -1.469 57.586 59.018 0.061 0.000 1.903 34 C CB 0.214 27.875 27.740 -0.132 0.000 2.704 34 C HN 0.218 nan 8.230 nan 0.000 0.629 35 P HA 0.152 nan 4.420 nan 0.000 0.274 35 P C 0.489 177.776 177.300 -0.021 0.000 1.246 35 P CA -0.284 62.873 63.100 0.095 0.000 0.795 35 P CB 0.255 31.968 31.700 0.022 0.000 1.006 36 F N 2.321 122.048 119.950 -0.371 0.000 2.046 36 F HA -0.256 4.152 4.527 -0.198 0.000 0.297 36 F C 1.918 177.525 175.800 -0.321 0.000 1.123 36 F CA 1.936 59.504 58.000 -0.721 0.000 1.199 36 F CB -0.711 37.860 39.000 -0.715 0.000 0.972 36 F HN 0.290 nan 8.300 nan 0.000 0.474 37 E N 0.426 120.422 120.200 -0.341 0.000 2.065 37 E HA -0.276 3.956 4.350 -0.198 0.000 0.201 37 E C 1.823 178.223 176.600 -0.333 0.000 1.016 37 E CA 1.908 58.081 56.400 -0.378 0.000 0.818 37 E CB -1.242 28.356 29.700 -0.171 0.000 0.749 37 E HN 0.462 nan 8.360 nan 0.000 0.453 38 D N 0.342 120.587 120.400 -0.258 0.000 2.117 38 D HA -0.140 4.382 4.640 -0.198 0.000 0.197 38 D C 1.980 178.132 176.300 -0.248 0.000 0.987 38 D CA 1.111 54.968 54.000 -0.238 0.000 0.829 38 D CB -0.423 40.234 40.800 -0.239 0.000 0.961 38 D HN 0.323 nan 8.370 nan 0.000 0.460 39 H N 0.077 119.039 119.070 -0.181 0.000 2.326 39 H HA -0.008 4.431 4.556 -0.196 0.000 0.301 39 H C 2.423 177.558 175.328 -0.322 0.000 1.081 39 H CA 0.637 56.577 56.048 -0.181 0.000 1.334 39 H CB -0.559 29.180 29.762 -0.037 0.000 1.385 39 H HN 0.012 nan 8.280 nan 0.000 0.504 40 V N 1.413 121.139 119.914 -0.315 0.000 2.282 40 V HA -0.293 3.708 4.120 -0.198 0.000 0.249 40 V C 2.657 178.600 176.094 -0.252 0.000 1.057 40 V CA 2.158 64.242 62.300 -0.359 0.000 1.032 40 V CB -0.475 30.996 31.823 -0.586 0.000 0.645 40 V HN 0.355 nan 8.190 nan 0.000 0.447 41 K N -0.196 120.063 120.400 -0.235 0.000 2.020 41 K HA -0.204 3.997 4.320 -0.198 0.000 0.212 41 K C 2.104 178.610 176.600 -0.157 0.000 1.050 41 K CA 1.865 58.051 56.287 -0.167 0.000 0.929 41 K CB -0.267 32.148 32.500 -0.142 0.000 0.714 41 K HN 0.427 nan 8.250 nan 0.000 0.443 42 L N 0.589 121.692 121.223 -0.199 0.000 2.083 42 L HA -0.162 4.059 4.340 -0.198 0.000 0.209 42 L C 2.398 179.058 176.870 -0.351 0.000 1.083 42 L CA 0.703 55.397 54.840 -0.245 0.000 0.752 42 L CB -0.419 41.465 42.059 -0.290 0.000 0.899 42 L HN 0.055 nan 8.230 nan 0.000 0.433 43 V N 0.049 119.726 119.914 -0.395 0.000 2.307 43 V HA -0.242 3.759 4.120 -0.198 0.000 0.245 43 V C 2.281 178.317 176.094 -0.096 0.000 1.045 43 V CA 1.737 63.858 62.300 -0.298 0.000 1.024 43 V CB -0.653 31.044 31.823 -0.210 0.000 0.651 43 V HN 0.476 nan 8.190 nan 0.000 0.449 44 N N 0.364 119.014 118.700 -0.083 0.000 2.058 44 N HA -0.177 4.444 4.740 -0.198 0.000 0.191 44 N C 1.833 177.346 175.510 0.004 0.000 1.037 44 N CA 1.697 54.735 53.050 -0.020 0.000 0.848 44 N CB -0.378 38.084 38.487 -0.041 0.000 1.021 44 N HN 0.600 nan 8.380 nan 0.000 0.422 45 E N 0.530 120.717 120.200 -0.022 0.000 2.086 45 E HA -0.152 4.079 4.350 -0.198 0.000 0.200 45 E C 2.015 178.659 176.600 0.073 0.000 1.012 45 E CA 1.182 57.590 56.400 0.013 0.000 0.812 45 E CB -0.150 29.549 29.700 -0.003 0.000 0.743 45 E HN 0.090 nan 8.360 nan 0.000 0.453 46 V N 1.194 121.136 119.914 0.047 0.000 2.407 46 V HA -0.221 3.780 4.120 -0.198 0.000 0.248 46 V C 2.263 178.455 176.094 0.163 0.000 1.055 46 V CA 2.114 64.465 62.300 0.085 0.000 1.049 46 V CB -0.613 31.198 31.823 -0.019 0.000 0.662 46 V HN 0.342 nan 8.190 nan 0.000 0.455 47 T N -0.974 113.687 114.554 0.178 0.000 2.904 47 T HA -0.105 4.126 4.350 -0.198 0.000 0.267 47 T C 1.858 176.627 174.700 0.115 0.000 1.059 47 T CA 0.908 63.144 62.100 0.225 0.000 1.137 47 T CB -0.135 68.875 68.868 0.236 0.000 0.879 47 T HN 0.414 nan 8.240 nan 0.000 0.467 48 E N 1.036 121.295 120.200 0.098 0.000 2.017 48 E HA -0.054 4.177 4.350 -0.198 0.000 0.193 48 E C 1.810 178.472 176.600 0.105 0.000 0.997 48 E CA 0.845 57.282 56.400 0.062 0.000 0.804 48 E CB -0.654 29.070 29.700 0.040 0.000 0.757 48 E HN 0.571 nan 8.360 nan 0.000 0.448 49 F N 1.501 121.426 119.950 -0.042 0.000 2.063 49 F HA -0.351 4.058 4.527 -0.197 0.000 0.298 49 F C 2.316 178.065 175.800 -0.085 0.000 1.109 49 F CA 1.437 59.408 58.000 -0.049 0.000 1.212 49 F CB -0.046 38.940 39.000 -0.024 0.000 0.973 49 F HN 0.053 nan 8.300 nan 0.000 0.480 50 A N 0.601 123.485 122.820 0.106 0.000 1.903 50 A HA -0.351 3.850 4.320 -0.198 0.000 0.219 50 A C 2.234 179.636 177.584 -0.302 0.000 1.191 50 A CA 3.231 55.175 52.037 -0.156 0.000 0.638 50 A CB -1.629 17.232 19.000 -0.232 0.000 0.823 50 A HN 0.507 nan 8.150 nan 0.000 0.451 51 K N -0.720 119.491 120.400 -0.315 0.000 2.074 51 K HA -0.207 3.995 4.320 -0.198 0.000 0.209 51 K C 2.311 178.778 176.600 -0.222 0.000 1.048 51 K CA 2.745 58.796 56.287 -0.393 0.000 0.926 51 K CB -2.121 30.243 32.500 -0.226 0.000 0.713 51 K HN 0.990 nan 8.250 nan 0.000 0.444 52 T N -1.484 113.026 114.554 -0.074 0.000 2.788 52 T HA -0.191 4.040 4.350 -0.198 0.000 0.268 52 T C 2.245 176.935 174.700 -0.017 0.000 1.044 52 T CA 1.645 63.725 62.100 -0.033 0.000 1.139 52 T CB -1.122 67.745 68.868 -0.001 0.000 0.867 52 T HN 0.523 nan 8.240 nan 0.000 0.454 53 c N 1.334 119.950 118.600 0.027 0.000 2.425 53 c HA 0.160 4.612 4.570 -0.198 0.000 0.277 53 c C 3.253 177.310 174.090 -0.054 0.000 1.280 53 c CA 0.428 56.769 56.329 0.021 0.000 1.744 53 c CB -1.640 40.884 42.510 0.023 0.000 1.989 53 c HN 0.675 nan 8.230 nan 0.000 0.491 54 V N 0.834 120.658 119.914 -0.149 0.000 2.392 54 V HA -0.091 3.911 4.120 -0.198 0.000 0.249 54 V C 2.571 178.611 176.094 -0.089 0.000 1.059 54 V CA 2.997 65.205 62.300 -0.155 0.000 1.051 54 V CB -0.992 30.656 31.823 -0.292 0.000 0.658 54 V HN 0.473 nan 8.190 nan 0.000 0.455 55 A N 0.130 122.899 122.820 -0.084 0.000 1.844 55 A HA 0.286 4.487 4.320 -0.198 0.000 0.212 55 A C 1.556 179.122 177.584 -0.031 0.000 1.221 55 A CA 1.455 53.460 52.037 -0.053 0.000 0.607 55 A CB -0.829 18.138 19.000 -0.055 0.000 0.878 55 A HN 1.033 nan 8.150 nan 0.000 0.451 56 D N 0.199 120.586 120.400 -0.022 0.000 2.473 56 D HA 0.503 5.024 4.640 -0.198 0.000 0.226 56 D C -0.089 176.218 176.300 0.012 0.000 1.089 56 D CA -0.346 53.651 54.000 -0.005 0.000 0.883 56 D CB 0.014 40.811 40.800 -0.006 0.000 1.029 56 D HN 0.488 nan 8.370 nan 0.000 0.517 57 E N 0.534 120.740 120.200 0.010 0.000 2.780 57 E HA 0.154 4.385 4.350 -0.198 0.000 0.234 57 E C 0.600 177.221 176.600 0.036 0.000 1.425 57 E CA 0.211 56.624 56.400 0.023 0.000 1.481 57 E CB 0.047 29.756 29.700 0.014 0.000 1.357 57 E HN 0.459 nan 8.360 nan 0.000 0.431 58 S N -1.914 113.813 115.700 0.045 0.000 2.599 58 S HA 0.186 4.537 4.470 -0.198 0.000 0.217 58 S C 0.905 175.535 174.600 0.049 0.000 0.852 58 S CA 0.261 58.490 58.200 0.049 0.000 1.521 58 S CB -0.222 62.997 63.200 0.031 0.000 1.269 58 S HN 0.342 nan 8.310 nan 0.000 0.607 59 A N 1.808 124.658 122.820 0.049 0.000 2.365 59 A HA 0.050 4.251 4.320 -0.198 0.000 0.201 59 A C 1.891 179.481 177.584 0.011 0.000 1.169 59 A CA 2.658 54.707 52.037 0.020 0.000 0.869 59 A CB -1.636 17.370 19.000 0.009 0.000 0.810 59 A HN 0.985 nan 8.150 nan 0.000 0.540 60 E N -1.314 118.881 120.200 -0.007 0.000 2.023 60 E HA 0.015 4.247 4.350 -0.198 0.000 0.195 60 E C 1.285 177.936 176.600 0.085 0.000 0.964 60 E CA 1.330 57.707 56.400 -0.038 0.000 0.845 60 E CB -0.581 28.964 29.700 -0.258 0.000 0.813 60 E HN 0.684 nan 8.360 nan 0.000 0.476 61 N N -1.190 117.663 118.700 0.255 0.000 2.238 61 N HA 0.157 4.778 4.740 -0.198 0.000 0.235 61 N C 0.786 176.470 175.510 0.289 0.000 1.209 61 N CA 0.118 53.333 53.050 0.276 0.000 0.879 61 N CB 0.269 38.932 38.487 0.292 0.000 1.136 61 N HN 0.433 nan 8.380 nan 0.000 0.517 62 c N 1.369 120.163 118.600 0.325 0.000 2.388 62 c HA -0.139 4.312 4.570 -0.198 0.000 0.299 62 c C 1.891 176.029 174.090 0.081 0.000 1.390 62 c CA 1.017 57.444 56.329 0.162 0.000 1.808 62 c CB -0.957 41.653 42.510 0.167 0.000 1.831 62 c HN 0.588 nan 8.230 nan 0.000 0.548 63 D N -0.177 120.280 120.400 0.094 0.000 2.355 63 D HA -0.005 4.517 4.640 -0.198 0.000 0.218 63 D C 0.732 177.072 176.300 0.067 0.000 1.004 63 D CA 0.507 54.549 54.000 0.071 0.000 0.880 63 D CB 0.013 40.854 40.800 0.067 0.000 0.911 63 D HN 0.272 nan 8.370 nan 0.000 0.528 64 K N 1.095 121.538 120.400 0.070 0.000 2.118 64 K HA 0.245 4.446 4.320 -0.198 0.000 0.240 64 K C 0.419 177.055 176.600 0.060 0.000 1.035 64 K CA -0.397 55.932 56.287 0.070 0.000 0.899 64 K CB 0.861 33.409 32.500 0.080 0.000 1.085 64 K HN 0.103 nan 8.250 nan 0.000 0.498 65 S N 0.514 116.260 115.700 0.077 0.000 2.616 65 S HA 0.220 4.571 4.470 -0.198 0.000 0.277 65 S C 0.911 175.567 174.600 0.093 0.000 1.234 65 S CA -0.712 57.529 58.200 0.069 0.000 1.028 65 S CB 0.599 63.848 63.200 0.082 0.000 0.988 65 S HN 0.295 nan 8.310 nan 0.000 0.522 66 L N 1.326 122.595 121.223 0.078 0.000 2.127 66 L HA -0.096 4.126 4.340 -0.198 0.000 0.211 66 L C 2.470 179.575 176.870 0.392 0.000 1.089 66 L CA 1.750 56.755 54.840 0.276 0.000 0.757 66 L CB -2.305 39.901 42.059 0.245 0.000 0.899 66 L HN 0.786 nan 8.230 nan 0.000 0.434 67 H N -0.116 119.093 119.070 0.232 0.000 2.293 67 H HA -0.093 4.344 4.556 -0.200 0.000 0.300 67 H C 2.216 177.654 175.328 0.184 0.000 1.082 67 H CA 1.940 58.102 56.048 0.189 0.000 1.308 67 H CB -0.635 29.209 29.762 0.138 0.000 1.375 67 H HN 0.285 nan 8.280 nan 0.000 0.495 68 T N 1.929 116.650 114.554 0.279 0.000 2.708 68 T HA -0.093 4.138 4.350 -0.198 0.000 0.266 68 T C 2.509 177.309 174.700 0.166 0.000 1.037 68 T CA 1.146 63.359 62.100 0.188 0.000 1.146 68 T CB -0.474 68.481 68.868 0.144 0.000 0.865 68 T HN 0.125 nan 8.240 nan 0.000 0.435 69 L N -0.369 120.941 121.223 0.144 0.000 1.955 69 L HA -0.058 4.163 4.340 -0.198 0.000 0.213 69 L C 2.409 179.317 176.870 0.063 0.000 1.072 69 L CA 1.621 56.496 54.840 0.059 0.000 0.755 69 L CB -0.853 41.150 42.059 -0.092 0.000 0.888 69 L HN 0.155 nan 8.230 nan 0.000 0.432 70 F N 0.484 120.479 119.950 0.076 0.000 2.091 70 F HA -0.218 4.193 4.527 -0.194 0.000 0.299 70 F C 2.561 178.308 175.800 -0.087 0.000 1.103 70 F CA 1.682 59.686 58.000 0.007 0.000 1.228 70 F CB -1.232 37.733 39.000 -0.060 0.000 0.984 70 F HN 0.085 nan 8.300 nan 0.000 0.477 71 G N -0.652 108.243 108.800 0.157 0.000 2.459 71 G HA2 -0.281 3.560 3.960 -0.198 0.000 0.217 71 G HA3 -0.281 3.560 3.960 -0.198 0.000 0.217 71 G C 1.489 176.446 174.900 0.096 0.000 1.183 71 G CA 1.274 46.422 45.100 0.080 0.000 0.776 71 G HN 0.248 nan 8.290 nan 0.000 0.552 72 D N 0.258 120.729 120.400 0.117 0.000 2.144 72 D HA -0.066 4.455 4.640 -0.198 0.000 0.199 72 D C 2.548 178.914 176.300 0.111 0.000 0.984 72 D CA 0.682 54.747 54.000 0.108 0.000 0.834 72 D CB 0.024 40.887 40.800 0.106 0.000 0.955 72 D HN 0.099 nan 8.370 nan 0.000 0.465 73 K N 0.608 121.091 120.400 0.138 0.000 2.032 73 K HA -0.147 4.054 4.320 -0.198 0.000 0.209 73 K C 2.191 178.917 176.600 0.210 0.000 1.048 73 K CA 0.358 56.760 56.287 0.191 0.000 0.927 73 K CB -0.845 31.839 32.500 0.306 0.000 0.712 73 K HN 0.182 nan 8.250 nan 0.000 0.441 74 L N 1.222 122.551 121.223 0.177 0.000 2.083 74 L HA -0.122 4.099 4.340 -0.198 0.000 0.209 74 L C 1.860 178.772 176.870 0.071 0.000 1.083 74 L CA 1.524 56.428 54.840 0.106 0.000 0.752 74 L CB -0.509 41.422 42.059 -0.212 0.000 0.899 74 L HN 0.111 nan 8.230 nan 0.000 0.433 75 c N -0.099 118.549 118.600 0.080 0.000 2.503 75 c HA -0.012 4.439 4.570 -0.198 0.000 0.285 75 c C 2.284 176.416 174.090 0.069 0.000 1.473 75 c CA 0.979 57.365 56.329 0.096 0.000 1.708 75 c CB -2.302 40.275 42.510 0.112 0.000 1.638 75 c HN 0.750 nan 8.230 nan 0.000 0.585 76 T N -4.067 110.529 114.554 0.069 0.000 3.086 76 T HA 0.161 4.392 4.350 -0.198 0.000 0.250 76 T C 0.901 175.622 174.700 0.035 0.000 1.074 76 T CA 0.607 62.736 62.100 0.050 0.000 0.988 76 T CB 0.056 68.955 68.868 0.052 0.000 0.988 76 T HN 0.294 nan 8.240 nan 0.000 0.530 77 V N -0.628 119.310 119.914 0.040 0.000 3.309 77 V HA 0.478 4.479 4.120 -0.198 0.000 0.268 77 V C 2.583 178.694 176.094 0.029 0.000 1.631 77 V CA 0.161 62.475 62.300 0.023 0.000 1.018 77 V CB -0.204 31.625 31.823 0.010 0.000 0.841 77 V HN 0.440 nan 8.190 nan 0.000 0.418 78 A N 1.162 124.010 122.820 0.046 0.000 1.930 78 A HA -0.140 4.061 4.320 -0.198 0.000 0.217 78 A C 2.194 179.798 177.584 0.034 0.000 1.175 78 A CA 2.382 54.451 52.037 0.054 0.000 0.627 78 A CB -0.851 18.208 19.000 0.100 0.000 0.815 78 A HN 0.521 nan 8.150 nan 0.000 0.443 79 T N -0.487 114.084 114.554 0.029 0.000 2.918 79 T HA -0.022 4.209 4.350 -0.198 0.000 0.271 79 T C 1.080 175.786 174.700 0.009 0.000 1.104 79 T CA 1.137 63.245 62.100 0.014 0.000 1.114 79 T CB -1.275 67.601 68.868 0.014 0.000 0.855 79 T HN 0.752 nan 8.240 nan 0.000 0.518 80 L N 1.627 122.857 121.223 0.011 0.000 2.382 80 L HA 0.801 5.022 4.340 -0.198 0.000 0.259 80 L C 2.176 179.050 176.870 0.008 0.000 1.291 80 L CA 0.291 55.136 54.840 0.008 0.000 1.176 80 L CB -2.280 39.783 42.059 0.007 0.000 1.373 80 L HN 0.563 nan 8.230 nan 0.000 0.426 81 R N 0.620 121.122 120.500 0.004 0.000 2.159 81 R HA -0.051 4.170 4.340 -0.198 0.000 0.237 81 R C 2.185 178.489 176.300 0.006 0.000 1.131 81 R CA 2.447 58.548 56.100 0.002 0.000 0.982 81 R CB -1.522 28.776 30.300 -0.003 0.000 0.868 81 R HN 1.380 nan 8.270 nan 0.000 0.453 82 E N -0.531 119.673 120.200 0.006 0.000 2.267 82 E HA -0.058 4.173 4.350 -0.198 0.000 0.197 82 E C 2.220 178.826 176.600 0.011 0.000 0.998 82 E CA 2.144 58.548 56.400 0.008 0.000 0.830 82 E CB -1.114 28.590 29.700 0.006 0.000 0.751 82 E HN 0.823 nan 8.360 nan 0.000 0.491 83 T N -2.972 111.589 114.554 0.013 0.000 3.087 83 T HA 0.445 4.676 4.350 -0.198 0.000 0.237 83 T C 1.168 175.882 174.700 0.023 0.000 0.990 83 T CA 1.262 63.372 62.100 0.017 0.000 1.160 83 T CB 0.325 69.203 68.868 0.016 0.000 0.923 83 T HN 0.916 nan 8.240 nan 0.000 0.442 84 Y N 1.641 121.953 120.300 0.021 0.000 2.748 84 Y HA 0.657 5.089 4.550 -0.198 0.000 0.359 84 Y C 1.390 177.296 175.900 0.008 0.000 1.030 84 Y CA -0.989 57.125 58.100 0.024 0.000 1.169 84 Y CB 0.083 38.563 38.460 0.033 0.000 1.127 84 Y HN 0.364 nan 8.280 nan 0.000 0.644 85 G N 0.520 109.326 108.800 0.009 0.000 2.639 85 G HA2 -0.278 3.564 3.960 -0.198 0.000 0.216 85 G HA3 -0.278 3.564 3.960 -0.198 0.000 0.216 85 G C 1.239 176.128 174.900 -0.019 0.000 1.267 85 G CA 1.351 46.451 45.100 0.000 0.000 0.801 85 G HN 0.749 nan 8.290 nan 0.000 0.592 86 E N 0.091 120.282 120.200 -0.015 0.000 2.333 86 E HA -0.120 4.111 4.350 -0.198 0.000 0.200 86 E C 2.469 178.952 176.600 -0.194 0.000 1.010 86 E CA 0.731 57.102 56.400 -0.049 0.000 0.841 86 E CB -0.158 29.571 29.700 0.049 0.000 0.757 86 E HN 0.298 nan 8.360 nan 0.000 0.508 87 M N 0.520 120.028 119.600 -0.153 0.000 2.156 87 M HA -0.023 4.339 4.480 -0.198 0.000 0.264 87 M C 2.514 178.743 176.300 -0.120 0.000 1.067 87 M CA 1.227 56.431 55.300 -0.160 0.000 1.131 87 M CB -1.142 31.448 32.600 -0.015 0.000 1.368 87 M HN 0.187 nan 8.290 nan 0.000 0.416 88 A N 1.191 123.971 122.820 -0.067 0.000 1.915 88 A HA -0.255 3.946 4.320 -0.198 0.000 0.220 88 A C 1.802 179.334 177.584 -0.086 0.000 1.198 88 A CA 2.374 54.380 52.037 -0.050 0.000 0.647 88 A CB -1.030 17.951 19.000 -0.031 0.000 0.825 88 A HN 0.494 nan 8.150 nan 0.000 0.456 89 D N -0.226 120.111 120.400 -0.105 0.000 2.126 89 D HA -0.198 4.324 4.640 -0.198 0.000 0.190 89 D C 2.055 178.253 176.300 -0.170 0.000 1.001 89 D CA 1.699 55.632 54.000 -0.112 0.000 0.841 89 D CB -1.104 39.638 40.800 -0.096 0.000 0.949 89 D HN 0.492 nan 8.370 nan 0.000 0.446 90 c N 0.727 119.162 118.600 -0.276 0.000 2.401 90 c HA -0.189 4.263 4.570 -0.198 0.000 0.276 90 c C 3.108 176.963 174.090 -0.392 0.000 1.233 90 c CA 0.422 56.478 56.329 -0.456 0.000 1.753 90 c CB -1.082 40.941 42.510 -0.812 0.000 2.029 90 c HN 0.469 nan 8.230 nan 0.000 0.478 91 c N 0.740 119.205 118.600 -0.226 0.000 2.432 91 c HA 0.046 4.497 4.570 -0.198 0.000 0.282 91 c C 2.854 176.901 174.090 -0.072 0.000 1.388 91 c CA 0.890 57.165 56.329 -0.090 0.000 1.777 91 c CB -1.615 40.899 42.510 0.006 0.000 1.882 91 c HN 0.716 nan 8.230 nan 0.000 0.520 92 A N -0.117 122.651 122.820 -0.086 0.000 2.206 92 A HA 0.025 4.226 4.320 -0.198 0.000 0.211 92 A C 1.314 178.859 177.584 -0.065 0.000 1.158 92 A CA 0.996 52.998 52.037 -0.059 0.000 0.761 92 A CB -0.114 18.854 19.000 -0.054 0.000 0.801 92 A HN 0.503 nan 8.150 nan 0.000 0.473 93 K N -0.574 119.766 120.400 -0.100 0.000 2.583 93 K HA 0.507 4.708 4.320 -0.198 0.000 0.266 93 K C -0.009 176.553 176.600 -0.064 0.000 1.037 93 K CA -0.103 56.127 56.287 -0.095 0.000 0.996 93 K CB -0.012 32.398 32.500 -0.150 0.000 1.307 93 K HN 0.197 nan 8.250 nan 0.000 0.502 94 Q N -1.169 118.599 119.800 -0.054 0.000 2.553 94 Q HA 0.372 4.593 4.340 -0.198 0.000 0.293 94 Q C 0.943 176.935 176.000 -0.013 0.000 1.038 94 Q CA 0.124 55.915 55.803 -0.020 0.000 0.777 94 Q CB 0.869 29.604 28.738 -0.005 0.000 1.487 94 Q HN 0.740 nan 8.270 nan 0.000 0.426 95 E N 0.217 120.430 120.200 0.021 0.000 2.831 95 E HA -0.328 3.903 4.350 -0.198 0.000 0.227 95 E C -0.922 175.682 176.600 0.006 0.000 0.895 95 E CA 2.887 59.312 56.400 0.042 0.000 1.313 95 E CB -2.987 26.749 29.700 0.060 0.000 1.338 95 E HN 0.686 nan 8.360 nan 0.000 0.485 96 P HA 0.077 nan 4.420 nan 0.000 0.213 96 P C 1.861 179.135 177.300 -0.043 0.000 1.170 96 P CA 2.968 66.059 63.100 -0.014 0.000 0.889 96 P CB -0.412 31.293 31.700 0.008 0.000 0.782 97 E N 0.253 120.427 120.200 -0.044 0.000 2.097 97 E HA -0.309 3.923 4.350 -0.198 0.000 0.196 97 E C 2.280 178.802 176.600 -0.130 0.000 1.000 97 E CA 2.537 58.895 56.400 -0.069 0.000 0.804 97 E CB -1.872 27.792 29.700 -0.061 0.000 0.740 97 E HN 0.266 nan 8.360 nan 0.000 0.454 98 R N 1.067 121.480 120.500 -0.145 0.000 2.083 98 R HA -0.100 4.122 4.340 -0.198 0.000 0.237 98 R C 2.219 178.331 176.300 -0.313 0.000 1.137 98 R CA 1.987 57.931 56.100 -0.260 0.000 0.951 98 R CB -1.615 28.601 30.300 -0.140 0.000 0.851 98 R HN 0.729 nan 8.270 nan 0.000 0.434 99 N N -0.356 118.267 118.700 -0.129 0.000 2.142 99 N HA -0.151 4.470 4.740 -0.198 0.000 0.186 99 N C 1.407 176.881 175.510 -0.059 0.000 1.023 99 N CA 1.167 54.181 53.050 -0.059 0.000 0.852 99 N CB 0.049 38.365 38.487 -0.286 0.000 0.998 99 N HN 0.506 nan 8.380 nan 0.000 0.424 100 E N 0.783 120.939 120.200 -0.073 0.000 2.110 100 E HA -0.160 4.071 4.350 -0.198 0.000 0.193 100 E C 2.123 178.709 176.600 -0.023 0.000 0.988 100 E CA 0.354 56.741 56.400 -0.023 0.000 0.804 100 E CB -0.872 28.828 29.700 -0.001 0.000 0.745 100 E HN 0.426 nan 8.360 nan 0.000 0.458 101 c N 0.392 118.925 118.600 -0.111 0.000 2.413 101 c HA -0.185 4.266 4.570 -0.198 0.000 0.277 101 c C 2.565 176.660 174.090 0.008 0.000 1.228 101 c CA 0.612 56.874 56.329 -0.111 0.000 1.731 101 c CB -1.311 40.990 42.510 -0.349 0.000 2.042 101 c HN 0.274 nan 8.230 nan 0.000 0.468 102 F N 1.280 121.214 119.950 -0.027 0.000 2.069 102 F HA -0.063 4.344 4.527 -0.200 0.000 0.298 102 F C 2.244 178.102 175.800 0.097 0.000 1.113 102 F CA 1.581 59.557 58.000 -0.039 0.000 1.214 102 F CB -1.164 37.645 39.000 -0.317 0.000 0.978 102 F HN 0.183 nan 8.300 nan 0.000 0.474 103 L N -0.493 120.887 121.223 0.262 0.000 2.079 103 L HA -0.290 3.931 4.340 -0.198 0.000 0.210 103 L C 2.638 179.583 176.870 0.125 0.000 1.081 103 L CA 1.790 56.714 54.840 0.141 0.000 0.752 103 L CB -1.229 40.843 42.059 0.021 0.000 0.896 103 L HN 0.220 nan 8.230 nan 0.000 0.433 104 Q N -0.514 119.352 119.800 0.111 0.000 2.224 104 Q HA -0.202 4.019 4.340 -0.198 0.000 0.203 104 Q C 1.687 177.671 176.000 -0.026 0.000 0.970 104 Q CA 1.504 57.324 55.803 0.028 0.000 0.865 104 Q CB -0.506 28.216 28.738 -0.027 0.000 0.922 104 Q HN 0.720 nan 8.270 nan 0.000 0.445 105 H N -0.064 119.044 119.070 0.064 0.000 2.524 105 H HA 0.363 4.800 4.556 -0.198 0.000 0.280 105 H C 0.114 175.489 175.328 0.078 0.000 1.018 105 H CA -0.030 56.058 56.048 0.067 0.000 1.165 105 H CB 0.266 30.072 29.762 0.074 0.000 1.411 105 H HN 0.300 nan 8.280 nan 0.000 0.569 106 K N 1.407 121.902 120.400 0.157 0.000 2.412 106 K HA -0.002 4.199 4.320 -0.198 0.000 0.281 106 K C -0.329 176.332 176.600 0.102 0.000 1.027 106 K CA -0.080 56.265 56.287 0.097 0.000 0.989 106 K CB 0.654 33.152 32.500 -0.003 0.000 0.935 106 K HN 0.153 nan 8.250 nan 0.000 0.475 107 D N 2.266 122.710 120.400 0.073 0.000 2.274 107 D HA 0.055 4.576 4.640 -0.198 0.000 0.239 107 D C 0.037 176.372 176.300 0.059 0.000 1.104 107 D CA -0.232 53.802 54.000 0.057 0.000 0.840 107 D CB 1.063 41.883 40.800 0.034 0.000 1.100 107 D HN 0.406 nan 8.370 nan 0.000 0.477 108 D N 2.529 122.970 120.400 0.068 0.000 2.355 108 D HA -0.047 4.474 4.640 -0.198 0.000 0.218 108 D C 0.052 176.354 176.300 0.002 0.000 1.004 108 D CA 0.573 54.610 54.000 0.062 0.000 0.880 108 D CB 0.386 41.212 40.800 0.043 0.000 0.911 108 D HN 0.456 nan 8.370 nan 0.000 0.528 109 N N 0.794 119.489 118.700 -0.010 0.000 2.711 109 N HA 0.163 4.784 4.740 -0.198 0.000 0.263 109 N C -2.830 172.662 175.510 -0.031 0.000 1.667 109 N CA -1.185 51.847 53.050 -0.030 0.000 0.785 109 N CB 1.457 39.931 38.487 -0.023 0.000 1.231 109 N HN -0.192 nan 8.380 nan 0.000 0.503 110 P HA -0.007 nan 4.420 nan 0.000 0.267 110 P C -0.362 176.917 177.300 -0.035 0.000 1.200 110 P CA 0.097 63.175 63.100 -0.036 0.000 0.772 110 P CB 0.562 32.226 31.700 -0.061 0.000 0.855 111 N N 1.968 120.657 118.700 -0.018 0.000 2.652 111 N HA 0.071 4.692 4.740 -0.198 0.000 0.259 111 N C -0.413 175.088 175.510 -0.015 0.000 1.240 111 N CA -0.212 52.830 53.050 -0.014 0.000 0.951 111 N CB -0.360 38.126 38.487 -0.003 0.000 1.281 111 N HN 0.304 nan 8.380 nan 0.000 0.507 112 L N 1.283 122.488 121.223 -0.031 0.000 2.395 112 L HA 0.411 4.632 4.340 -0.198 0.000 0.269 112 L C -1.793 175.061 176.870 -0.028 0.000 1.133 112 L CA -1.823 52.998 54.840 -0.031 0.000 0.812 112 L CB 0.430 42.453 42.059 -0.061 0.000 1.125 112 L HN 0.091 nan 8.230 nan 0.000 0.452 113 P HA 0.155 nan 4.420 nan 0.000 0.268 113 P C 0.003 177.293 177.300 -0.016 0.000 1.205 113 P CA -0.239 62.856 63.100 -0.009 0.000 0.771 113 P CB 0.422 32.124 31.700 0.003 0.000 0.858 114 R N 0.931 121.424 120.500 -0.011 0.000 2.802 114 R HA 0.355 4.576 4.340 -0.198 0.000 0.264 114 R C 0.229 176.523 176.300 -0.010 0.000 0.996 114 R CA 0.855 56.949 56.100 -0.011 0.000 1.123 114 R CB -1.347 28.952 30.300 -0.002 0.000 0.996 114 R HN 0.607 nan 8.270 nan 0.000 0.444 115 L N 2.222 123.438 121.223 -0.010 0.000 2.371 115 L HA 0.649 4.871 4.340 -0.198 0.000 0.262 115 L C 0.500 177.376 176.870 0.010 0.000 1.054 115 L CA -0.618 54.218 54.840 -0.008 0.000 0.924 115 L CB 0.405 42.449 42.059 -0.026 0.000 1.295 115 L HN 0.996 nan 8.230 nan 0.000 0.441 116 V N 3.491 123.415 119.914 0.016 0.000 2.881 116 V HA 0.725 4.726 4.120 -0.198 0.000 0.303 116 V C 0.675 176.791 176.094 0.037 0.000 1.070 116 V CA -0.367 61.949 62.300 0.026 0.000 1.074 116 V CB 1.608 33.446 31.823 0.025 0.000 1.012 116 V HN 1.091 nan 8.190 nan 0.000 0.482 117 R N 4.899 125.428 120.500 0.049 0.000 2.360 117 R HA 0.672 4.893 4.340 -0.198 0.000 0.318 117 R C -2.694 173.652 176.300 0.077 0.000 0.950 117 R CA -1.592 54.551 56.100 0.072 0.000 0.837 117 R CB 0.590 30.943 30.300 0.088 0.000 1.165 117 R HN 0.518 nan 8.270 nan 0.000 0.458 118 P HA -0.108 nan 4.420 nan 0.000 0.271 118 P C -0.324 177.026 177.300 0.084 0.000 1.228 118 P CA -0.063 63.085 63.100 0.080 0.000 0.797 118 P CB 0.491 32.245 31.700 0.090 0.000 0.914 119 E N 0.019 120.259 120.200 0.066 0.000 2.458 119 E HA -0.054 4.177 4.350 -0.198 0.000 0.264 119 E C 1.406 178.052 176.600 0.077 0.000 1.097 119 E CA 0.103 56.538 56.400 0.059 0.000 0.973 119 E CB 0.348 30.075 29.700 0.045 0.000 0.963 119 E HN 0.100 nan 8.360 nan 0.000 0.451 120 V N 2.202 122.154 119.914 0.064 0.000 2.568 120 V HA -0.248 3.754 4.120 -0.198 0.000 0.253 120 V C 1.566 177.706 176.094 0.076 0.000 1.072 120 V CA 1.755 64.099 62.300 0.073 0.000 1.084 120 V CB -0.363 31.480 31.823 0.034 0.000 0.676 120 V HN 0.517 nan 8.190 nan 0.000 0.469 121 D N -0.129 120.305 120.400 0.057 0.000 2.219 121 D HA -0.084 4.437 4.640 -0.198 0.000 0.205 121 D C 2.066 178.394 176.300 0.048 0.000 0.970 121 D CA 1.060 55.090 54.000 0.049 0.000 0.851 121 D CB 0.177 41.000 40.800 0.039 0.000 0.943 121 D HN 0.393 nan 8.370 nan 0.000 0.488 122 V N 0.629 120.577 119.914 0.057 0.000 2.500 122 V HA -0.123 3.878 4.120 -0.198 0.000 0.243 122 V C 2.482 178.599 176.094 0.039 0.000 1.039 122 V CA 0.824 63.153 62.300 0.050 0.000 1.053 122 V CB -0.294 31.567 31.823 0.063 0.000 0.695 122 V HN 0.122 nan 8.190 nan 0.000 0.463 123 M N -0.472 119.184 119.600 0.093 0.000 2.065 123 M HA -0.231 4.130 4.480 -0.198 0.000 0.259 123 M C 2.458 178.634 176.300 -0.206 0.000 1.069 123 M CA 2.023 57.372 55.300 0.082 0.000 1.110 123 M CB -0.898 31.939 32.600 0.395 0.000 1.328 123 M HN 0.371 nan 8.290 nan 0.000 0.405 124 c N 0.219 118.808 118.600 -0.018 0.000 2.413 124 c HA -0.139 4.312 4.570 -0.198 0.000 0.277 124 c C 2.934 176.944 174.090 -0.133 0.000 1.265 124 c CA 1.432 57.719 56.329 -0.070 0.000 1.752 124 c CB -1.121 41.403 42.510 0.023 0.000 1.998 124 c HN 0.588 nan 8.230 nan 0.000 0.489 125 T N 0.917 115.431 114.554 -0.067 0.000 2.701 125 T HA -0.091 4.140 4.350 -0.198 0.000 0.263 125 T C 2.171 176.799 174.700 -0.119 0.000 1.040 125 T CA 1.651 63.731 62.100 -0.034 0.000 1.147 125 T CB -0.477 68.387 68.868 -0.007 0.000 0.865 125 T HN 0.620 nan 8.240 nan 0.000 0.426 126 A N 1.163 123.871 122.820 -0.188 0.000 1.908 126 A HA -0.075 4.126 4.320 -0.198 0.000 0.218 126 A C 2.034 179.328 177.584 -0.484 0.000 1.181 126 A CA 1.616 53.513 52.037 -0.232 0.000 0.627 126 A CB -0.953 17.975 19.000 -0.119 0.000 0.818 126 A HN 0.506 nan 8.150 nan 0.000 0.445 127 F N 0.146 119.435 119.950 -1.102 0.000 2.084 127 F HA -0.153 4.256 4.527 -0.197 0.000 0.296 127 F C 2.354 177.889 175.800 -0.441 0.000 1.111 127 F CA 2.105 59.374 58.000 -1.217 0.000 1.224 127 F CB -0.530 37.578 39.000 -1.488 0.000 0.991 127 F HN 0.333 nan 8.300 nan 0.000 0.471 128 H N -0.107 118.609 119.070 -0.590 0.000 2.326 128 H HA -0.109 4.329 4.556 -0.197 0.000 0.301 128 H C 1.941 177.053 175.328 -0.359 0.000 1.081 128 H CA 1.723 57.459 56.048 -0.520 0.000 1.334 128 H CB -0.894 28.731 29.762 -0.228 0.000 1.385 128 H HN 0.384 nan 8.280 nan 0.000 0.504 129 D N 0.296 120.627 120.400 -0.114 0.000 2.088 129 D HA -0.156 4.366 4.640 -0.198 0.000 0.191 129 D C 0.543 176.777 176.300 -0.109 0.000 0.992 129 D CA 1.126 55.070 54.000 -0.093 0.000 0.831 129 D CB -0.007 40.755 40.800 -0.062 0.000 0.973 129 D HN 0.079 nan 8.370 nan 0.000 0.447 130 N N -0.256 118.376 118.700 -0.115 0.000 2.573 130 N HA 0.070 4.691 4.740 -0.198 0.000 0.262 130 N C -0.274 175.190 175.510 -0.076 0.000 1.029 130 N CA -0.176 52.835 53.050 -0.065 0.000 0.882 130 N CB 1.307 39.799 38.487 0.008 0.000 1.204 130 N HN 0.226 nan 8.380 nan 0.000 0.519 131 E N 2.077 122.195 120.200 -0.135 0.000 2.158 131 E HA -0.083 4.148 4.350 -0.198 0.000 0.191 131 E C 0.486 177.147 176.600 0.103 0.000 0.982 131 E CA 0.937 57.268 56.400 -0.115 0.000 0.823 131 E CB 0.430 29.983 29.700 -0.246 0.000 0.766 131 E HN 0.473 nan 8.360 nan 0.000 0.468 132 E N 0.208 120.455 120.200 0.078 0.000 2.015 132 E HA -0.121 4.110 4.350 -0.198 0.000 0.191 132 E C 2.212 178.909 176.600 0.163 0.000 0.991 132 E CA 1.535 58.002 56.400 0.112 0.000 0.802 132 E CB -0.750 28.997 29.700 0.078 0.000 0.759 132 E HN 0.210 nan 8.360 nan 0.000 0.447 133 T N 1.754 116.410 114.554 0.170 0.000 2.759 133 T HA -0.159 4.073 4.350 -0.198 0.000 0.269 133 T C 1.596 176.428 174.700 0.219 0.000 1.042 133 T CA 1.132 63.373 62.100 0.234 0.000 1.140 133 T CB -0.430 68.569 68.868 0.218 0.000 0.864 133 T HN 0.064 nan 8.240 nan 0.000 0.455 134 F N 1.738 121.711 119.950 0.037 0.000 2.026 134 F HA -0.086 4.325 4.527 -0.195 0.000 0.296 134 F C 2.072 177.882 175.800 0.017 0.000 1.133 134 F CA 1.216 59.212 58.000 -0.006 0.000 1.188 134 F CB -0.728 38.273 39.000 0.002 0.000 0.968 134 F HN 0.046 nan 8.300 nan 0.000 0.476 135 L N -0.107 121.200 121.223 0.141 0.000 2.079 135 L HA -0.284 3.937 4.340 -0.198 0.000 0.210 135 L C 2.491 179.416 176.870 0.092 0.000 1.081 135 L CA 1.640 56.518 54.840 0.063 0.000 0.752 135 L CB -0.743 41.394 42.059 0.130 0.000 0.896 135 L HN 0.161 nan 8.230 nan 0.000 0.433 136 K N 0.232 120.709 120.400 0.129 0.000 2.032 136 K HA -0.253 3.949 4.320 -0.198 0.000 0.209 136 K C 2.174 178.834 176.600 0.100 0.000 1.048 136 K CA 1.541 57.942 56.287 0.191 0.000 0.927 136 K CB -0.135 32.566 32.500 0.335 0.000 0.712 136 K HN 0.108 nan 8.250 nan 0.000 0.441 137 K N 0.295 120.594 120.400 -0.169 0.000 2.103 137 K HA -0.234 3.967 4.320 -0.198 0.000 0.207 137 K C 2.094 178.570 176.600 -0.206 0.000 1.048 137 K CA 1.431 57.404 56.287 -0.522 0.000 0.930 137 K CB -0.246 31.877 32.500 -0.628 0.000 0.716 137 K HN 0.166 nan 8.250 nan 0.000 0.444 138 Y N 1.010 121.141 120.300 -0.282 0.000 2.089 138 Y HA -0.195 4.236 4.550 -0.198 0.000 0.282 138 Y C 1.572 177.388 175.900 -0.141 0.000 1.139 138 Y CA 1.716 59.677 58.100 -0.232 0.000 1.123 138 Y CB -0.305 38.003 38.460 -0.253 0.000 0.980 138 Y HN -0.029 nan 8.280 nan 0.000 0.493 139 L N -0.643 120.532 121.223 -0.079 0.000 2.081 139 L HA -0.283 3.939 4.340 -0.198 0.000 0.212 139 L C 2.432 179.197 176.870 -0.176 0.000 1.080 139 L CA 2.048 56.789 54.840 -0.165 0.000 0.754 139 L CB -1.069 41.006 42.059 0.027 0.000 0.893 139 L HN 0.408 nan 8.230 nan 0.000 0.433 140 Y N 1.181 121.379 120.300 -0.170 0.000 2.114 140 Y HA -0.237 4.198 4.550 -0.192 0.000 0.284 140 Y C 2.646 178.440 175.900 -0.177 0.000 1.143 140 Y CA 1.623 59.655 58.100 -0.114 0.000 1.135 140 Y CB -0.135 38.331 38.460 0.010 0.000 0.980 140 Y HN 0.099 nan 8.280 nan 0.000 0.499 141 E N 0.294 120.282 120.200 -0.355 0.000 2.110 141 E HA -0.179 4.052 4.350 -0.198 0.000 0.193 141 E C 2.258 178.616 176.600 -0.403 0.000 0.988 141 E CA 1.355 57.500 56.400 -0.425 0.000 0.804 141 E CB -0.250 29.293 29.700 -0.263 0.000 0.745 141 E HN 0.502 nan 8.360 nan 0.000 0.458 142 I N 0.974 121.269 120.570 -0.458 0.000 2.193 142 I HA -0.142 3.909 4.170 -0.198 0.000 0.240 142 I C 2.487 178.442 176.117 -0.270 0.000 1.084 142 I CA 0.994 62.064 61.300 -0.384 0.000 1.365 142 I CB -1.654 35.928 38.000 -0.696 0.000 1.064 142 I HN -0.061 nan 8.210 nan 0.000 0.410 143 A N 2.023 124.647 122.820 -0.328 0.000 1.917 143 A HA -0.244 3.957 4.320 -0.198 0.000 0.219 143 A C 2.419 179.876 177.584 -0.212 0.000 1.182 143 A CA 2.227 54.125 52.037 -0.232 0.000 0.633 143 A CB -0.770 18.102 19.000 -0.213 0.000 0.819 143 A HN 0.580 nan 8.150 nan 0.000 0.448 144 R N -1.037 119.279 120.500 -0.307 0.000 2.189 144 R HA 0.023 4.245 4.340 -0.198 0.000 0.218 144 R C 1.808 177.965 176.300 -0.239 0.000 1.074 144 R CA 1.298 57.227 56.100 -0.285 0.000 0.991 144 R CB -0.274 29.771 30.300 -0.424 0.000 0.883 144 R HN 0.435 nan 8.270 nan 0.000 0.457 145 R N -0.226 120.105 120.500 -0.282 0.000 2.280 145 R HA 0.129 4.350 4.340 -0.198 0.000 0.195 145 R C -0.055 175.911 176.300 -0.557 0.000 0.935 145 R CA 0.283 56.152 56.100 -0.385 0.000 1.033 145 R CB 0.428 30.467 30.300 -0.434 0.000 0.964 145 R HN 0.335 nan 8.270 nan 0.000 0.489 146 H N 0.506 119.550 119.070 -0.044 0.000 2.488 146 H HA 0.155 4.590 4.556 -0.202 0.000 0.237 146 H C -2.021 173.331 175.328 0.040 0.000 1.395 146 H CA -1.868 54.216 56.048 0.060 0.000 1.491 146 H CB 1.490 31.359 29.762 0.179 0.000 1.567 146 H HN -0.008 nan 8.280 nan 0.000 0.508 147 P HA -0.131 nan 4.420 nan 0.000 0.234 147 P C 0.163 177.240 177.300 -0.371 0.000 1.162 147 P CA 1.119 64.109 63.100 -0.184 0.000 0.759 147 P CB 0.080 31.635 31.700 -0.241 0.000 0.813 148 Y N -2.908 117.429 120.300 0.061 0.000 2.675 148 Y HA 0.307 4.745 4.550 -0.186 0.000 0.248 148 Y C 0.805 176.762 175.900 0.095 0.000 1.161 148 Y CA -1.040 57.087 58.100 0.045 0.000 1.203 148 Y CB -0.274 38.188 38.460 0.004 0.000 1.262 148 Y HN -0.238 nan 8.280 nan 0.000 0.544 149 F N 1.182 121.191 119.950 0.100 0.000 2.608 149 F HA -0.044 4.403 4.527 -0.133 0.000 0.380 149 F C 0.446 176.328 175.800 0.137 0.000 1.083 149 F CA -0.640 57.399 58.000 0.066 0.000 1.266 149 F CB 0.227 39.209 39.000 -0.029 0.000 1.076 149 F HN 0.099 nan 8.300 nan 0.000 0.574 150 Y N 7.381 127.722 120.300 0.068 0.000 2.783 150 Y HA 0.209 4.643 4.550 -0.193 0.000 0.359 150 Y C 1.085 177.155 175.900 0.283 0.000 1.220 150 Y CA -0.579 57.611 58.100 0.151 0.000 1.649 150 Y CB -0.204 38.318 38.460 0.105 0.000 1.273 150 Y HN 0.761 nan 8.280 nan 0.000 0.506 151 A N 7.452 130.356 122.820 0.139 0.000 1.882 151 A HA -0.270 3.931 4.320 -0.198 0.000 0.220 151 A C -0.190 177.344 177.584 -0.084 0.000 1.253 151 A CA 2.271 54.313 52.037 0.008 0.000 0.664 151 A CB -1.911 17.057 19.000 -0.054 0.000 0.838 151 A HN 0.648 nan 8.150 nan 0.000 0.460 152 P HA -0.173 nan 4.420 nan 0.000 0.217 152 P C 1.366 178.624 177.300 -0.069 0.000 1.151 152 P CA 1.521 64.470 63.100 -0.251 0.000 0.849 152 P CB -0.061 31.360 31.700 -0.464 0.000 0.787 153 E N -0.934 119.227 120.200 -0.066 0.000 2.106 153 E HA -0.126 4.105 4.350 -0.198 0.000 0.192 153 E C 1.852 178.872 176.600 0.701 0.000 0.984 153 E CA 0.743 57.368 56.400 0.375 0.000 0.806 153 E CB -0.873 29.150 29.700 0.539 0.000 0.750 153 E HN 0.155 nan 8.360 nan 0.000 0.458 154 L N 0.849 122.373 121.223 0.501 0.000 2.191 154 L HA -0.105 4.116 4.340 -0.198 0.000 0.212 154 L C 2.081 179.119 176.870 0.280 0.000 1.103 154 L CA 1.177 56.180 54.840 0.270 0.000 0.769 154 L CB -0.396 41.582 42.059 -0.134 0.000 0.908 154 L HN 0.075 nan 8.230 nan 0.000 0.438 155 L N -2.099 119.263 121.223 0.231 0.000 2.156 155 L HA -0.173 4.048 4.340 -0.198 0.000 0.208 155 L C 2.336 179.324 176.870 0.197 0.000 1.095 155 L CA 0.989 55.931 54.840 0.169 0.000 0.770 155 L CB -0.585 41.541 42.059 0.111 0.000 0.914 155 L HN 0.309 nan 8.230 nan 0.000 0.439 156 F N 0.235 120.254 119.950 0.115 0.000 2.206 156 F HA -0.143 4.262 4.527 -0.202 0.000 0.298 156 F C 2.039 177.804 175.800 -0.058 0.000 1.090 156 F CA 1.197 59.192 58.000 -0.008 0.000 1.323 156 F CB -0.196 38.754 39.000 -0.084 0.000 1.028 156 F HN -0.133 nan 8.300 nan 0.000 0.492 157 F N 0.633 120.597 119.950 0.023 0.000 2.186 157 F HA -0.025 4.389 4.527 -0.189 0.000 0.299 157 F C 2.616 178.318 175.800 -0.164 0.000 1.090 157 F CA 1.202 59.158 58.000 -0.073 0.000 1.307 157 F CB -1.326 37.771 39.000 0.162 0.000 1.019 157 F HN 0.065 nan 8.300 nan 0.000 0.489 158 A N -0.096 122.804 122.820 0.134 0.000 1.908 158 A HA -0.269 3.932 4.320 -0.198 0.000 0.218 158 A C 2.233 179.746 177.584 -0.118 0.000 1.181 158 A CA 2.064 54.098 52.037 -0.006 0.000 0.627 158 A CB -0.763 18.303 19.000 0.111 0.000 0.818 158 A HN 0.360 nan 8.150 nan 0.000 0.445 159 K N -0.623 119.693 120.400 -0.140 0.000 2.025 159 K HA -0.101 4.100 4.320 -0.198 0.000 0.207 159 K C 2.308 178.765 176.600 -0.239 0.000 1.049 159 K CA 1.276 57.465 56.287 -0.164 0.000 0.933 159 K CB -0.165 32.232 32.500 -0.172 0.000 0.714 159 K HN 0.410 nan 8.250 nan 0.000 0.438 160 R N -1.238 119.018 120.500 -0.405 0.000 2.115 160 R HA -0.182 4.040 4.340 -0.198 0.000 0.230 160 R C 2.641 178.791 176.300 -0.249 0.000 1.111 160 R CA 1.780 57.654 56.100 -0.378 0.000 0.976 160 R CB -0.622 29.350 30.300 -0.546 0.000 0.870 160 R HN 0.396 nan 8.270 nan 0.000 0.445 161 Y N 1.315 121.463 120.300 -0.253 0.000 2.242 161 Y HA -0.162 4.269 4.550 -0.198 0.000 0.291 161 Y C 2.209 178.044 175.900 -0.108 0.000 1.137 161 Y CA 1.888 59.841 58.100 -0.245 0.000 1.181 161 Y CB -0.500 37.629 38.460 -0.552 0.000 0.989 161 Y HN 0.084 nan 8.280 nan 0.000 0.527 162 K N 0.280 120.621 120.400 -0.099 0.000 2.097 162 K HA -0.026 4.176 4.320 -0.198 0.000 0.205 162 K C 2.501 179.091 176.600 -0.017 0.000 1.050 162 K CA 0.995 57.281 56.287 -0.003 0.000 0.938 162 K CB -0.377 32.161 32.500 0.063 0.000 0.718 162 K HN 0.507 nan 8.250 nan 0.000 0.442 163 A N 0.793 123.577 122.820 -0.059 0.000 2.014 163 A HA -0.010 4.191 4.320 -0.198 0.000 0.218 163 A C 2.189 179.715 177.584 -0.096 0.000 1.163 163 A CA 1.460 53.465 52.037 -0.054 0.000 0.652 163 A CB -0.455 18.498 19.000 -0.079 0.000 0.808 163 A HN 0.432 nan 8.150 nan 0.000 0.449 164 A N -0.620 122.104 122.820 -0.160 0.000 1.858 164 A HA 0.002 4.203 4.320 -0.198 0.000 0.216 164 A C 1.929 179.317 177.584 -0.327 0.000 1.190 164 A CA 1.550 53.433 52.037 -0.256 0.000 0.617 164 A CB -0.781 18.010 19.000 -0.349 0.000 0.827 164 A HN 0.444 nan 8.150 nan 0.000 0.443 165 F N 0.418 120.136 119.950 -0.386 0.000 2.113 165 F HA -0.112 4.295 4.527 -0.200 0.000 0.297 165 F C 2.772 178.328 175.800 -0.407 0.000 1.103 165 F CA 1.843 59.477 58.000 -0.610 0.000 1.248 165 F CB -0.972 37.199 39.000 -1.382 0.000 0.999 165 F HN 0.111 nan 8.300 nan 0.000 0.475 166 T N -0.779 113.745 114.554 -0.050 0.000 2.869 166 T HA -0.252 3.979 4.350 -0.198 0.000 0.270 166 T C 1.790 176.581 174.700 0.151 0.000 1.082 166 T CA 1.801 64.045 62.100 0.240 0.000 1.123 166 T CB -0.260 68.749 68.868 0.235 0.000 0.856 166 T HN 0.477 nan 8.240 nan 0.000 0.499 167 E N -1.039 119.183 120.200 0.037 0.000 2.175 167 E HA -0.003 4.228 4.350 -0.198 0.000 0.195 167 E C 2.206 178.808 176.600 0.003 0.000 0.934 167 E CA 0.321 56.734 56.400 0.022 0.000 0.870 167 E CB -0.273 29.418 29.700 -0.014 0.000 0.838 167 E HN 0.367 nan 8.360 nan 0.000 0.474 168 c N 0.879 119.443 118.600 -0.061 0.000 2.429 168 c HA -0.089 4.363 4.570 -0.198 0.000 0.277 168 c C 2.605 176.684 174.090 -0.017 0.000 1.262 168 c CA 0.644 56.929 56.329 -0.074 0.000 1.733 168 c CB -0.894 41.511 42.510 -0.175 0.000 2.010 168 c HN 0.652 nan 8.230 nan 0.000 0.483 169 c N 0.247 118.856 118.600 0.016 0.000 2.460 169 c HA -0.089 4.362 4.570 -0.198 0.000 0.291 169 c C 2.217 176.400 174.090 0.156 0.000 1.493 169 c CA 0.925 57.305 56.329 0.084 0.000 1.748 169 c CB -1.971 40.569 42.510 0.051 0.000 1.656 169 c HN 0.663 nan 8.230 nan 0.000 0.576 170 Q N -0.461 119.411 119.800 0.120 0.000 2.217 170 Q HA 0.296 4.517 4.340 -0.198 0.000 0.217 170 Q C 1.169 177.203 176.000 0.056 0.000 0.844 170 Q CA -0.199 55.667 55.803 0.106 0.000 0.957 170 Q CB 0.477 29.278 28.738 0.105 0.000 1.127 170 Q HN 0.686 nan 8.270 nan 0.000 0.503 171 A N 0.306 123.148 122.820 0.037 0.000 2.267 171 A HA 0.471 4.673 4.320 -0.198 0.000 0.276 171 A C 1.051 178.646 177.584 0.017 0.000 1.336 171 A CA 0.671 52.718 52.037 0.017 0.000 0.815 171 A CB -0.043 18.956 19.000 -0.002 0.000 1.256 171 A HN 0.298 nan 8.150 nan 0.000 0.512 172 A N -2.133 120.692 122.820 0.008 0.000 1.993 172 A HA 0.308 4.510 4.320 -0.198 0.000 0.207 172 A C 0.449 178.037 177.584 0.006 0.000 1.224 172 A CA 1.085 53.127 52.037 0.008 0.000 0.749 172 A CB 0.158 19.160 19.000 0.005 0.000 0.884 172 A HN 0.617 nan 8.150 nan 0.000 0.467 173 D N -0.369 120.031 120.400 -0.000 0.000 2.375 173 D HA 0.305 4.827 4.640 -0.198 0.000 0.259 173 D C 0.799 177.092 176.300 -0.012 0.000 1.235 173 D CA -0.182 53.816 54.000 -0.004 0.000 0.924 173 D CB 1.353 42.149 40.800 -0.007 0.000 1.143 173 D HN -0.048 nan 8.370 nan 0.000 0.529 174 K N 1.217 121.612 120.400 -0.008 0.000 2.002 174 K HA -0.092 4.109 4.320 -0.198 0.000 0.209 174 K C 2.136 178.712 176.600 -0.040 0.000 1.048 174 K CA 1.280 57.554 56.287 -0.021 0.000 0.930 174 K CB -0.606 31.894 32.500 -0.001 0.000 0.714 174 K HN 0.544 nan 8.250 nan 0.000 0.438 175 A N 1.217 124.023 122.820 -0.024 0.000 1.892 175 A HA -0.134 4.067 4.320 -0.198 0.000 0.218 175 A C 2.506 180.067 177.584 -0.038 0.000 1.188 175 A CA 2.296 54.316 52.037 -0.028 0.000 0.631 175 A CB -1.112 17.881 19.000 -0.011 0.000 0.822 175 A HN 0.521 nan 8.150 nan 0.000 0.447 176 A N -1.695 121.106 122.820 -0.030 0.000 2.015 176 A HA -0.118 4.083 4.320 -0.198 0.000 0.219 176 A C 2.352 179.909 177.584 -0.044 0.000 1.163 176 A CA 1.670 53.688 52.037 -0.031 0.000 0.646 176 A CB -1.113 17.874 19.000 -0.021 0.000 0.806 176 A HN 0.837 nan 8.150 nan 0.000 0.448 177 c N -1.635 116.931 118.600 -0.056 0.000 2.538 177 c HA 0.225 4.676 4.570 -0.198 0.000 0.281 177 c C 2.323 176.344 174.090 -0.115 0.000 1.320 177 c CA 0.855 57.140 56.329 -0.073 0.000 1.714 177 c CB -1.225 41.245 42.510 -0.066 0.000 2.095 177 c HN 0.552 nan 8.230 nan 0.000 0.497 178 L N 1.044 122.177 121.223 -0.150 0.000 1.960 178 L HA 0.088 4.309 4.340 -0.198 0.000 0.209 178 L C 2.427 179.188 176.870 -0.182 0.000 1.090 178 L CA 1.938 56.634 54.840 -0.239 0.000 0.759 178 L CB -0.987 40.884 42.059 -0.313 0.000 0.892 178 L HN 0.405 nan 8.230 nan 0.000 0.436 179 L N -0.522 120.624 121.223 -0.129 0.000 2.201 179 L HA -0.369 3.852 4.340 -0.198 0.000 0.233 179 L C -0.198 176.633 176.870 -0.066 0.000 1.115 179 L CA 2.404 57.196 54.840 -0.079 0.000 0.840 179 L CB -2.417 39.615 42.059 -0.045 0.000 0.924 179 L HN 0.325 nan 8.230 nan 0.000 0.450 180 P HA -0.189 nan 4.420 nan 0.000 0.214 180 P C 1.337 178.608 177.300 -0.048 0.000 1.163 180 P CA 1.525 64.600 63.100 -0.043 0.000 0.889 180 P CB -0.042 31.634 31.700 -0.041 0.000 0.790 181 K N -0.733 119.619 120.400 -0.080 0.000 2.152 181 K HA -0.101 4.100 4.320 -0.198 0.000 0.206 181 K C 2.070 178.621 176.600 -0.082 0.000 1.048 181 K CA 1.096 57.329 56.287 -0.089 0.000 0.933 181 K CB -0.649 31.767 32.500 -0.141 0.000 0.721 181 K HN 0.202 nan 8.250 nan 0.000 0.447 182 L N 0.827 121.991 121.223 -0.098 0.000 2.072 182 L HA -0.158 4.063 4.340 -0.198 0.000 0.205 182 L C 1.914 178.788 176.870 0.007 0.000 1.079 182 L CA 0.934 55.739 54.840 -0.059 0.000 0.752 182 L CB -0.406 41.606 42.059 -0.077 0.000 0.906 182 L HN 0.155 nan 8.230 nan 0.000 0.436 183 D N 0.217 120.619 120.400 0.002 0.000 2.092 183 D HA -0.254 4.268 4.640 -0.198 0.000 0.193 183 D C 1.961 178.289 176.300 0.046 0.000 0.994 183 D CA 1.459 55.475 54.000 0.026 0.000 0.828 183 D CB -0.038 40.771 40.800 0.015 0.000 0.963 183 D HN 0.368 nan 8.370 nan 0.000 0.450 184 E N 0.346 120.568 120.200 0.036 0.000 2.160 184 E HA -0.161 4.070 4.350 -0.198 0.000 0.195 184 E C 2.278 178.939 176.600 0.102 0.000 0.991 184 E CA 0.650 57.085 56.400 0.058 0.000 0.810 184 E CB -0.072 29.649 29.700 0.035 0.000 0.742 184 E HN 0.236 nan 8.360 nan 0.000 0.466 185 L N 0.077 121.360 121.223 0.101 0.000 2.095 185 L HA -0.078 4.143 4.340 -0.198 0.000 0.204 185 L C 2.725 179.719 176.870 0.207 0.000 1.080 185 L CA 0.504 55.455 54.840 0.185 0.000 0.759 185 L CB -0.337 41.810 42.059 0.147 0.000 0.914 185 L HN 0.091 nan 8.230 nan 0.000 0.439 186 R N 0.350 120.934 120.500 0.140 0.000 2.103 186 R HA -0.171 4.050 4.340 -0.198 0.000 0.242 186 R C 1.716 178.083 176.300 0.111 0.000 1.142 186 R CA 1.502 57.674 56.100 0.119 0.000 0.960 186 R CB -0.954 29.400 30.300 0.089 0.000 0.858 186 R HN 0.413 nan 8.270 nan 0.000 0.439 187 D N 0.564 121.031 120.400 0.112 0.000 2.077 187 D HA -0.166 4.356 4.640 -0.198 0.000 0.193 187 D C 1.789 178.170 176.300 0.135 0.000 0.989 187 D CA 1.080 55.145 54.000 0.108 0.000 0.831 187 D CB -0.395 40.463 40.800 0.098 0.000 0.979 187 D HN 0.340 nan 8.370 nan 0.000 0.449 188 E N 0.315 120.632 120.200 0.195 0.000 2.233 188 E HA -0.174 4.058 4.350 -0.198 0.000 0.199 188 E C 2.005 178.776 176.600 0.285 0.000 1.004 188 E CA 1.414 57.983 56.400 0.282 0.000 0.819 188 E CB -0.283 29.648 29.700 0.385 0.000 0.738 188 E HN 0.283 nan 8.360 nan 0.000 0.478 189 G N 0.177 109.096 108.800 0.198 0.000 2.404 189 G HA2 -0.272 3.570 3.960 -0.198 0.000 0.215 189 G HA3 -0.272 3.570 3.960 -0.198 0.000 0.215 189 G C 1.782 176.635 174.900 -0.078 0.000 1.174 189 G CA 0.781 45.875 45.100 -0.009 0.000 0.780 189 G HN 0.115 nan 8.290 nan 0.000 0.537 190 K N 0.714 121.088 120.400 -0.044 0.000 2.057 190 K HA 0.137 4.338 4.320 -0.198 0.000 0.207 190 K C 3.099 179.650 176.600 -0.082 0.000 1.049 190 K CA 1.253 57.491 56.287 -0.082 0.000 0.931 190 K CB -0.952 31.557 32.500 0.016 0.000 0.714 190 K HN 0.481 nan 8.250 nan 0.000 0.440 191 A N 0.610 123.427 122.820 -0.005 0.000 1.851 191 A HA -0.224 3.977 4.320 -0.198 0.000 0.216 191 A C 2.361 179.905 177.584 -0.067 0.000 1.195 191 A CA 2.413 54.457 52.037 0.012 0.000 0.622 191 A CB -1.277 17.787 19.000 0.106 0.000 0.831 191 A HN 0.440 nan 8.150 nan 0.000 0.444 192 S N -0.693 114.965 115.700 -0.069 0.000 2.359 192 S HA -0.211 4.140 4.470 -0.198 0.000 0.223 192 S C 2.370 176.709 174.600 -0.436 0.000 1.039 192 S CA 2.255 60.347 58.200 -0.180 0.000 1.042 192 S CB -0.574 62.527 63.200 -0.166 0.000 0.915 192 S HN 0.688 nan 8.310 nan 0.000 0.439 193 S N 0.538 115.875 115.700 -0.605 0.000 2.370 193 S HA -0.067 4.285 4.470 -0.198 0.000 0.226 193 S C 2.035 176.475 174.600 -0.267 0.000 1.033 193 S CA 1.565 59.434 58.200 -0.551 0.000 1.011 193 S CB -0.844 62.079 63.200 -0.462 0.000 0.852 193 S HN 0.704 nan 8.310 nan 0.000 0.457 194 A N 1.467 124.162 122.820 -0.209 0.000 1.845 194 A HA -0.113 4.088 4.320 -0.198 0.000 0.215 194 A C 2.110 179.569 177.584 -0.208 0.000 1.195 194 A CA 1.826 53.755 52.037 -0.180 0.000 0.616 194 A CB -0.838 18.052 19.000 -0.184 0.000 0.832 194 A HN 0.620 nan 8.150 nan 0.000 0.443 195 K N -1.106 119.171 120.400 -0.205 0.000 2.059 195 K HA -0.284 3.917 4.320 -0.198 0.000 0.212 195 K C 2.381 178.831 176.600 -0.249 0.000 1.050 195 K CA 2.011 58.169 56.287 -0.214 0.000 0.927 195 K CB -0.175 32.232 32.500 -0.154 0.000 0.714 195 K HN 0.507 nan 8.250 nan 0.000 0.447 196 Q N 0.918 120.578 119.800 -0.234 0.000 2.167 196 Q HA -0.149 4.072 4.340 -0.198 0.000 0.202 196 Q C 1.877 177.768 176.000 -0.183 0.000 0.970 196 Q CA 1.442 57.116 55.803 -0.216 0.000 0.855 196 Q CB -0.050 28.592 28.738 -0.161 0.000 0.911 196 Q HN 0.082 nan 8.270 nan 0.000 0.438 197 R N -0.569 119.821 120.500 -0.183 0.000 2.115 197 R HA -0.076 4.145 4.340 -0.198 0.000 0.230 197 R C 1.819 177.975 176.300 -0.240 0.000 1.111 197 R CA 1.024 56.992 56.100 -0.221 0.000 0.976 197 R CB -0.653 29.527 30.300 -0.201 0.000 0.870 197 R HN 0.395 nan 8.270 nan 0.000 0.445 198 L N 0.835 121.920 121.223 -0.231 0.000 2.056 198 L HA -0.076 4.145 4.340 -0.198 0.000 0.207 198 L C 1.506 178.236 176.870 -0.234 0.000 1.078 198 L CA 1.885 56.589 54.840 -0.227 0.000 0.749 198 L CB -0.421 41.479 42.059 -0.266 0.000 0.901 198 L HN 0.110 nan 8.230 nan 0.000 0.433 199 K N -1.315 118.912 120.400 -0.289 0.000 2.057 199 K HA -0.158 4.043 4.320 -0.198 0.000 0.207 199 K C 2.119 178.616 176.600 -0.171 0.000 1.049 199 K CA 1.663 57.796 56.287 -0.256 0.000 0.931 199 K CB -0.545 31.734 32.500 -0.368 0.000 0.714 199 K HN 0.418 nan 8.250 nan 0.000 0.440 200 c N 0.621 119.121 118.600 -0.166 0.000 2.440 200 c HA -0.012 4.439 4.570 -0.198 0.000 0.278 200 c C 2.932 176.949 174.090 -0.121 0.000 1.295 200 c CA 0.628 56.886 56.329 -0.118 0.000 1.738 200 c CB -0.833 41.639 42.510 -0.062 0.000 1.987 200 c HN 0.530 nan 8.230 nan 0.000 0.492 201 A N 0.843 123.573 122.820 -0.150 0.000 1.883 201 A HA -0.168 4.033 4.320 -0.198 0.000 0.217 201 A C 2.246 179.840 177.584 0.017 0.000 1.186 201 A CA 2.382 54.358 52.037 -0.101 0.000 0.624 201 A CB -0.869 18.080 19.000 -0.085 0.000 0.822 201 A HN 0.558 nan 8.150 nan 0.000 0.444 202 S N 0.048 115.794 115.700 0.077 0.000 2.359 202 S HA -0.183 4.168 4.470 -0.198 0.000 0.222 202 S C 1.883 176.590 174.600 0.178 0.000 1.038 202 S CA 1.684 60.020 58.200 0.225 0.000 1.051 202 S CB -0.624 62.655 63.200 0.132 0.000 0.944 202 S HN 0.493 nan 8.310 nan 0.000 0.433 203 L N 1.367 122.621 121.223 0.052 0.000 2.012 203 L HA -0.223 3.998 4.340 -0.198 0.000 0.210 203 L C 2.865 179.729 176.870 -0.010 0.000 1.073 203 L CA 1.471 56.307 54.840 -0.006 0.000 0.748 203 L CB -0.637 41.331 42.059 -0.152 0.000 0.891 203 L HN 0.416 nan 8.230 nan 0.000 0.431 204 Q N -0.744 119.033 119.800 -0.038 0.000 2.079 204 Q HA -0.168 4.053 4.340 -0.198 0.000 0.200 204 Q C 2.347 178.270 176.000 -0.128 0.000 0.974 204 Q CA 1.492 57.260 55.803 -0.057 0.000 0.840 204 Q CB -0.073 28.638 28.738 -0.046 0.000 0.898 204 Q HN 0.284 nan 8.270 nan 0.000 0.430 205 K N -0.488 119.767 120.400 -0.242 0.000 2.202 205 K HA 0.088 4.289 4.320 -0.198 0.000 0.201 205 K C 1.483 177.698 176.600 -0.641 0.000 1.051 205 K CA 0.552 56.528 56.287 -0.518 0.000 0.977 205 K CB 0.052 32.050 32.500 -0.835 0.000 0.792 205 K HN 0.227 nan 8.250 nan 0.000 0.469 206 F N 0.206 120.154 119.950 -0.004 0.000 2.731 206 F HA 0.451 4.852 4.527 -0.211 0.000 0.298 206 F C 1.281 177.096 175.800 0.025 0.000 1.106 206 F CA 0.287 58.293 58.000 0.010 0.000 1.329 206 F CB 0.386 39.392 39.000 0.010 0.000 1.100 206 F HN 0.323 nan 8.300 nan 0.000 0.592 207 G N 1.160 110.039 108.800 0.132 0.000 2.662 207 G HA2 -0.192 3.649 3.960 -0.198 0.000 0.686 207 G HA3 -0.192 3.649 3.960 -0.198 0.000 0.686 207 G C 0.495 175.478 174.900 0.138 0.000 1.271 207 G CA -0.204 44.960 45.100 0.106 0.000 0.816 207 G HN 0.401 nan 8.290 nan 0.000 0.608 208 E N 0.064 120.331 120.200 0.111 0.000 2.274 208 E HA -0.057 4.174 4.350 -0.198 0.000 0.194 208 E C 2.170 178.889 176.600 0.197 0.000 0.996 208 E CA 0.962 57.452 56.400 0.149 0.000 0.840 208 E CB 0.043 29.802 29.700 0.098 0.000 0.772 208 E HN 0.620 nan 8.360 nan 0.000 0.491 209 R N 0.783 121.375 120.500 0.154 0.000 2.105 209 R HA -0.134 4.087 4.340 -0.198 0.000 0.239 209 R C 2.184 178.581 176.300 0.162 0.000 1.135 209 R CA 1.502 57.690 56.100 0.146 0.000 0.967 209 R CB -0.333 30.037 30.300 0.117 0.000 0.861 209 R HN 0.318 nan 8.270 nan 0.000 0.442 210 A N -0.015 122.911 122.820 0.176 0.000 1.929 210 A HA -0.130 4.071 4.320 -0.198 0.000 0.216 210 A C 1.900 179.610 177.584 0.210 0.000 1.176 210 A CA 0.838 52.969 52.037 0.157 0.000 0.628 210 A CB -0.613 18.468 19.000 0.135 0.000 0.816 210 A HN 0.516 nan 8.150 nan 0.000 0.444 211 F N 0.693 120.713 119.950 0.118 0.000 2.234 211 F HA -0.078 4.320 4.527 -0.216 0.000 0.299 211 F C 2.066 178.008 175.800 0.238 0.000 1.087 211 F CA 1.841 59.933 58.000 0.153 0.000 1.340 211 F CB -0.044 39.011 39.000 0.091 0.000 1.031 211 F HN 0.100 nan 8.300 nan 0.000 0.500 212 K N 0.137 120.698 120.400 0.268 0.000 2.025 212 K HA -0.107 4.094 4.320 -0.198 0.000 0.207 212 K C 2.350 178.978 176.600 0.048 0.000 1.049 212 K CA 1.163 57.540 56.287 0.151 0.000 0.933 212 K CB -0.560 32.040 32.500 0.167 0.000 0.714 212 K HN 0.313 nan 8.250 nan 0.000 0.438 213 A N 0.845 123.712 122.820 0.077 0.000 1.908 213 A HA -0.218 3.983 4.320 -0.198 0.000 0.218 213 A C 1.932 179.497 177.584 -0.031 0.000 1.181 213 A CA 1.565 53.626 52.037 0.040 0.000 0.627 213 A CB -0.958 18.078 19.000 0.060 0.000 0.818 213 A HN 0.625 nan 8.150 nan 0.000 0.445 214 W N 0.641 121.835 121.300 -0.178 0.000 2.355 214 W HA -0.129 4.439 4.660 -0.154 0.000 0.309 214 W C 2.439 178.778 176.519 -0.300 0.000 1.206 214 W CA 2.271 59.461 57.345 -0.259 0.000 1.284 214 W CB -0.377 28.868 29.460 -0.358 0.000 1.145 214 W HN 0.348 nan 8.180 nan 0.000 0.502 215 A N -0.062 122.450 122.820 -0.513 0.000 1.902 215 A HA -0.170 4.031 4.320 -0.198 0.000 0.217 215 A C 2.072 179.376 177.584 -0.466 0.000 1.181 215 A CA 2.405 54.044 52.037 -0.664 0.000 0.623 215 A CB -1.293 17.526 19.000 -0.301 0.000 0.818 215 A HN 0.200 nan 8.150 nan 0.000 0.443 216 V N -0.042 119.723 119.914 -0.249 0.000 2.233 216 V HA -0.313 3.688 4.120 -0.198 0.000 0.247 216 V C 3.103 179.092 176.094 -0.175 0.000 1.050 216 V CA 2.238 64.464 62.300 -0.122 0.000 1.010 216 V CB -1.370 30.459 31.823 0.009 0.000 0.637 216 V HN 0.641 nan 8.190 nan 0.000 0.444 217 A N -0.413 122.262 122.820 -0.242 0.000 1.892 217 A HA -0.311 3.890 4.320 -0.198 0.000 0.218 217 A C 2.382 179.747 177.584 -0.365 0.000 1.188 217 A CA 2.473 54.351 52.037 -0.266 0.000 0.631 217 A CB -0.601 18.242 19.000 -0.261 0.000 0.822 217 A HN 0.494 nan 8.150 nan 0.000 0.447 218 R N -0.693 119.443 120.500 -0.606 0.000 2.090 218 R HA 0.096 4.317 4.340 -0.198 0.000 0.228 218 R C 2.012 178.012 176.300 -0.499 0.000 1.110 218 R CA 0.942 56.680 56.100 -0.603 0.000 0.973 218 R CB -0.274 29.471 30.300 -0.925 0.000 0.869 218 R HN 0.542 nan 8.270 nan 0.000 0.440 219 L N -0.187 120.752 121.223 -0.473 0.000 2.093 219 L HA -0.101 4.121 4.340 -0.198 0.000 0.208 219 L C 2.137 178.825 176.870 -0.304 0.000 1.085 219 L CA 1.094 55.684 54.840 -0.418 0.000 0.755 219 L CB -0.315 41.612 42.059 -0.220 0.000 0.904 219 L HN 0.210 nan 8.230 nan 0.000 0.435 220 S N -0.579 115.027 115.700 -0.156 0.000 2.423 220 S HA -0.193 4.158 4.470 -0.198 0.000 0.231 220 S C 1.908 176.422 174.600 -0.144 0.000 1.014 220 S CA 1.083 59.261 58.200 -0.037 0.000 0.965 220 S CB -0.095 63.115 63.200 0.016 0.000 0.785 220 S HN 0.461 nan 8.310 nan 0.000 0.495 221 Q N 0.429 120.096 119.800 -0.222 0.000 2.083 221 Q HA 0.078 4.300 4.340 -0.198 0.000 0.198 221 Q C 2.395 178.259 176.000 -0.228 0.000 0.969 221 Q CA 0.822 56.499 55.803 -0.209 0.000 0.838 221 Q CB -0.035 28.578 28.738 -0.208 0.000 0.900 221 Q HN 0.407 nan 8.270 nan 0.000 0.436 222 R N -0.452 119.818 120.500 -0.383 0.000 2.090 222 R HA -0.021 4.200 4.340 -0.198 0.000 0.228 222 R C -0.035 176.100 176.300 -0.276 0.000 1.110 222 R CA 0.657 56.465 56.100 -0.488 0.000 0.973 222 R CB 0.339 30.078 30.300 -0.936 0.000 0.869 222 R HN 0.079 nan 8.270 nan 0.000 0.440 223 F N -0.005 119.924 119.950 -0.034 0.000 2.449 223 F HA 0.363 4.773 4.527 -0.195 0.000 0.329 223 F C -1.968 173.839 175.800 0.011 0.000 1.245 223 F CA -3.380 54.617 58.000 -0.005 0.000 1.193 223 F CB 1.159 40.168 39.000 0.015 0.000 1.425 223 F HN -0.195 nan 8.300 nan 0.000 0.544 224 P HA -0.128 nan 4.420 nan 0.000 0.220 224 P C 1.312 178.651 177.300 0.066 0.000 1.148 224 P CA 1.302 64.416 63.100 0.023 0.000 0.803 224 P CB 0.319 31.995 31.700 -0.040 0.000 0.782 225 K N -0.809 119.648 120.400 0.096 0.000 2.418 225 K HA 0.192 4.393 4.320 -0.198 0.000 0.195 225 K C 1.091 177.762 176.600 0.119 0.000 1.035 225 K CA 0.183 56.519 56.287 0.082 0.000 1.003 225 K CB -0.308 32.221 32.500 0.048 0.000 0.793 225 K HN 0.079 nan 8.250 nan 0.000 0.494 226 A N 2.059 124.984 122.820 0.176 0.000 2.386 226 A HA 0.362 4.563 4.320 -0.198 0.000 0.248 226 A C 0.277 178.006 177.584 0.241 0.000 1.082 226 A CA 0.008 52.149 52.037 0.173 0.000 0.789 226 A CB 0.065 19.186 19.000 0.202 0.000 1.025 226 A HN 0.357 nan 8.150 nan 0.000 0.490 227 E N 0.153 120.435 120.200 0.135 0.000 2.283 227 E HA 0.478 4.709 4.350 -0.198 0.000 0.271 227 E C 0.415 176.956 176.600 -0.098 0.000 1.031 227 E CA -0.286 56.177 56.400 0.105 0.000 0.868 227 E CB 0.305 30.047 29.700 0.069 0.000 1.094 227 E HN 0.912 nan 8.360 nan 0.000 0.401 228 F N 1.712 121.358 119.950 -0.507 0.000 2.087 228 F HA -0.170 4.238 4.527 -0.199 0.000 0.299 228 F C 2.423 178.029 175.800 -0.322 0.000 1.100 228 F CA 2.816 60.349 58.000 -0.779 0.000 1.226 228 F CB -0.493 38.106 39.000 -0.667 0.000 0.983 228 F HN 0.573 nan 8.300 nan 0.000 0.479 229 A N -0.949 121.728 122.820 -0.238 0.000 2.067 229 A HA -0.160 4.041 4.320 -0.198 0.000 0.219 229 A C 2.014 179.470 177.584 -0.212 0.000 1.158 229 A CA 1.659 53.553 52.037 -0.239 0.000 0.661 229 A CB -0.694 18.271 19.000 -0.058 0.000 0.801 229 A HN 0.479 nan 8.150 nan 0.000 0.452 230 E N -0.191 119.916 120.200 -0.155 0.000 2.033 230 E HA -0.052 4.179 4.350 -0.198 0.000 0.189 230 E C 1.903 178.442 176.600 -0.102 0.000 0.979 230 E CA 1.286 57.643 56.400 -0.071 0.000 0.802 230 E CB -0.473 29.227 29.700 0.000 0.000 0.763 230 E HN 0.172 nan 8.360 nan 0.000 0.449 231 V N 0.692 120.522 119.914 -0.141 0.000 2.231 231 V HA -0.344 3.658 4.120 -0.198 0.000 0.248 231 V C 2.321 178.290 176.094 -0.208 0.000 1.054 231 V CA 2.250 64.482 62.300 -0.113 0.000 1.015 231 V CB -0.942 30.812 31.823 -0.114 0.000 0.638 231 V HN 0.281 nan 8.190 nan 0.000 0.444 232 S N -0.581 114.860 115.700 -0.431 0.000 2.400 232 S HA -0.324 4.028 4.470 -0.198 0.000 0.234 232 S C 2.038 176.512 174.600 -0.209 0.000 1.049 232 S CA 1.973 59.937 58.200 -0.393 0.000 1.039 232 S CB -0.416 62.430 63.200 -0.591 0.000 0.856 232 S HN 0.508 nan 8.310 nan 0.000 0.465 233 K N 1.394 121.682 120.400 -0.188 0.000 2.025 233 K HA 0.016 4.217 4.320 -0.198 0.000 0.207 233 K C 2.029 178.549 176.600 -0.132 0.000 1.049 233 K CA 1.101 57.296 56.287 -0.153 0.000 0.933 233 K CB -0.527 31.875 32.500 -0.164 0.000 0.714 233 K HN 0.382 nan 8.250 nan 0.000 0.438 234 L N 0.674 121.843 121.223 -0.091 0.000 2.017 234 L HA -0.176 4.046 4.340 -0.198 0.000 0.208 234 L C 2.582 179.456 176.870 0.007 0.000 1.073 234 L CA 0.939 55.764 54.840 -0.024 0.000 0.745 234 L CB -0.617 41.480 42.059 0.064 0.000 0.894 234 L HN -0.075 nan 8.230 nan 0.000 0.432 235 V N -0.005 119.901 119.914 -0.013 0.000 2.380 235 V HA -0.311 3.690 4.120 -0.198 0.000 0.251 235 V C 2.595 178.730 176.094 0.070 0.000 1.063 235 V CA 2.437 64.750 62.300 0.021 0.000 1.055 235 V CB -0.848 30.960 31.823 -0.024 0.000 0.657 235 V HN 0.552 nan 8.190 nan 0.000 0.455 236 T N -0.702 113.863 114.554 0.018 0.000 2.746 236 T HA -0.183 4.049 4.350 -0.198 0.000 0.267 236 T C 1.618 176.347 174.700 0.048 0.000 1.039 236 T CA 1.620 63.739 62.100 0.030 0.000 1.142 236 T CB -0.330 68.528 68.868 -0.017 0.000 0.866 236 T HN 0.491 nan 8.240 nan 0.000 0.444 237 D N 1.047 121.460 120.400 0.021 0.000 2.084 237 D HA -0.010 4.511 4.640 -0.198 0.000 0.196 237 D C 2.148 178.506 176.300 0.097 0.000 0.985 237 D CA 0.524 54.541 54.000 0.029 0.000 0.826 237 D CB -0.598 40.193 40.800 -0.016 0.000 0.978 237 D HN 0.098 nan 8.370 nan 0.000 0.456 238 L N 1.281 122.593 121.223 0.148 0.000 2.021 238 L HA -0.214 4.007 4.340 -0.198 0.000 0.215 238 L C 2.276 179.372 176.870 0.376 0.000 1.074 238 L CA 1.853 56.855 54.840 0.269 0.000 0.760 238 L CB -1.154 41.084 42.059 0.299 0.000 0.889 238 L HN -0.005 nan 8.230 nan 0.000 0.433 239 T N -0.656 114.121 114.554 0.372 0.000 2.684 239 T HA -0.251 3.980 4.350 -0.198 0.000 0.267 239 T C 1.934 176.688 174.700 0.091 0.000 1.036 239 T CA 1.744 64.040 62.100 0.327 0.000 1.148 239 T CB -0.199 68.846 68.868 0.295 0.000 0.863 239 T HN 0.347 nan 8.240 nan 0.000 0.436 240 K N 0.663 121.110 120.400 0.079 0.000 2.103 240 K HA -0.098 4.104 4.320 -0.198 0.000 0.207 240 K C 2.213 178.818 176.600 0.008 0.000 1.048 240 K CA 1.048 57.351 56.287 0.026 0.000 0.930 240 K CB -0.326 32.188 32.500 0.024 0.000 0.716 240 K HN 0.161 nan 8.250 nan 0.000 0.444 241 V N 1.240 121.167 119.914 0.020 0.000 2.220 241 V HA -0.278 3.723 4.120 -0.198 0.000 0.246 241 V C 2.348 178.392 176.094 -0.084 0.000 1.049 241 V CA 1.956 64.236 62.300 -0.033 0.000 1.003 241 V CB -0.664 31.125 31.823 -0.056 0.000 0.634 241 V HN 0.455 nan 8.190 nan 0.000 0.444 242 H N -0.019 119.045 119.070 -0.009 0.000 2.421 242 H HA -0.115 4.326 4.556 -0.192 0.000 0.298 242 H C 2.433 177.655 175.328 -0.175 0.000 1.087 242 H CA 1.938 57.906 56.048 -0.134 0.000 1.330 242 H CB -0.499 29.065 29.762 -0.331 0.000 1.388 242 H HN 0.454 nan 8.280 nan 0.000 0.526 243 T N 0.880 115.376 114.554 -0.096 0.000 2.720 243 T HA -0.128 4.103 4.350 -0.198 0.000 0.268 243 T C 1.866 176.567 174.700 0.000 0.000 1.037 243 T CA 1.361 63.410 62.100 -0.085 0.000 1.144 243 T CB -0.015 68.804 68.868 -0.081 0.000 0.864 243 T HN 0.539 nan 8.240 nan 0.000 0.444 244 E N 0.192 120.396 120.200 0.007 0.000 2.028 244 E HA -0.086 4.145 4.350 -0.198 0.000 0.191 244 E C 2.562 179.194 176.600 0.053 0.000 0.988 244 E CA 1.011 57.432 56.400 0.036 0.000 0.799 244 E CB -0.396 29.307 29.700 0.005 0.000 0.755 244 E HN 0.378 nan 8.360 nan 0.000 0.447 245 c N 0.737 119.369 118.600 0.053 0.000 2.401 245 c HA -0.178 4.273 4.570 -0.198 0.000 0.276 245 c C 2.885 177.024 174.090 0.082 0.000 1.233 245 c CA 0.591 56.971 56.329 0.085 0.000 1.753 245 c CB -0.774 41.869 42.510 0.222 0.000 2.029 245 c HN 0.602 nan 8.230 nan 0.000 0.478 246 c N -1.593 117.068 118.600 0.102 0.000 2.456 246 c HA -0.064 4.387 4.570 -0.198 0.000 0.279 246 c C 2.224 176.387 174.090 0.122 0.000 1.427 246 c CA 1.090 57.493 56.329 0.123 0.000 1.778 246 c CB -1.991 40.575 42.510 0.092 0.000 1.842 246 c HN 0.781 nan 8.230 nan 0.000 0.531 247 H N -0.520 118.555 119.070 0.009 0.000 2.575 247 H HA 0.297 4.733 4.556 -0.200 0.000 0.267 247 H C 1.687 177.008 175.328 -0.011 0.000 0.966 247 H CA 1.029 57.087 56.048 0.015 0.000 1.165 247 H CB -0.005 29.776 29.762 0.032 0.000 1.433 247 H HN 0.346 nan 8.280 nan 0.000 0.544 248 G N 0.210 108.958 108.800 -0.087 0.000 2.195 248 G HA2 -0.235 3.606 3.960 -0.198 0.000 0.224 248 G HA3 -0.235 3.606 3.960 -0.198 0.000 0.224 248 G C -0.145 174.641 174.900 -0.189 0.000 0.990 248 G CA 0.115 45.074 45.100 -0.235 0.000 0.639 248 G HN 0.484 nan 8.290 nan 0.000 0.514 249 D N 1.897 122.270 120.400 -0.044 0.000 2.600 249 D HA 0.278 4.800 4.640 -0.198 0.000 0.226 249 D C 2.044 178.269 176.300 -0.125 0.000 1.119 249 D CA -0.112 53.834 54.000 -0.091 0.000 1.051 249 D CB 0.089 40.890 40.800 0.002 0.000 1.106 249 D HN 0.385 nan 8.370 nan 0.000 0.491 250 L N -0.085 121.018 121.223 -0.200 0.000 2.046 250 L HA -0.180 4.041 4.340 -0.198 0.000 0.208 250 L C 2.411 179.196 176.870 -0.142 0.000 1.077 250 L CA 0.852 55.592 54.840 -0.167 0.000 0.747 250 L CB -0.329 41.605 42.059 -0.209 0.000 0.896 250 L HN 0.274 nan 8.230 nan 0.000 0.432 251 L N 0.005 121.130 121.223 -0.164 0.000 1.989 251 L HA -0.210 4.011 4.340 -0.198 0.000 0.211 251 L C 2.877 179.694 176.870 -0.087 0.000 1.071 251 L CA 1.430 56.199 54.840 -0.117 0.000 0.749 251 L CB -0.708 41.294 42.059 -0.094 0.000 0.890 251 L HN 0.412 nan 8.230 nan 0.000 0.431 252 E N -0.361 119.783 120.200 -0.094 0.000 2.204 252 E HA -0.231 4.000 4.350 -0.198 0.000 0.194 252 E C 2.328 178.894 176.600 -0.058 0.000 0.989 252 E CA 1.405 57.755 56.400 -0.083 0.000 0.824 252 E CB -1.100 28.552 29.700 -0.081 0.000 0.756 252 E HN 0.562 nan 8.360 nan 0.000 0.477 253 c N 1.602 120.168 118.600 -0.056 0.000 2.453 253 c HA 0.132 4.583 4.570 -0.198 0.000 0.277 253 c C 3.044 177.106 174.090 -0.047 0.000 1.262 253 c CA 1.404 57.711 56.329 -0.036 0.000 1.718 253 c CB -1.017 41.479 42.510 -0.024 0.000 2.031 253 c HN 0.539 nan 8.230 nan 0.000 0.480 254 A N -0.077 122.702 122.820 -0.068 0.000 1.902 254 A HA -0.170 4.031 4.320 -0.198 0.000 0.217 254 A C 2.047 179.612 177.584 -0.031 0.000 1.181 254 A CA 2.216 54.214 52.037 -0.066 0.000 0.623 254 A CB -0.860 18.100 19.000 -0.066 0.000 0.818 254 A HN 0.690 nan 8.150 nan 0.000 0.443 255 D N 0.142 120.524 120.400 -0.030 0.000 2.077 255 D HA -0.147 4.374 4.640 -0.198 0.000 0.193 255 D C 1.399 177.703 176.300 0.006 0.000 0.989 255 D CA 1.456 55.449 54.000 -0.012 0.000 0.831 255 D CB -0.335 40.438 40.800 -0.044 0.000 0.979 255 D HN 0.375 nan 8.370 nan 0.000 0.449 256 D N 0.139 120.539 120.400 -0.001 0.000 2.158 256 D HA -0.187 4.334 4.640 -0.198 0.000 0.197 256 D C 2.114 178.433 176.300 0.032 0.000 0.995 256 D CA 0.610 54.620 54.000 0.016 0.000 0.846 256 D CB -0.199 40.605 40.800 0.008 0.000 0.941 256 D HN 0.263 nan 8.370 nan 0.000 0.456 257 R N 0.710 121.226 120.500 0.026 0.000 2.096 257 R HA -0.090 4.131 4.340 -0.198 0.000 0.235 257 R C 2.136 178.470 176.300 0.056 0.000 1.127 257 R CA 1.259 57.388 56.100 0.049 0.000 0.968 257 R CB -0.033 30.285 30.300 0.031 0.000 0.861 257 R HN 0.094 nan 8.270 nan 0.000 0.440 258 A N 1.288 124.134 122.820 0.042 0.000 1.855 258 A HA -0.165 4.036 4.320 -0.198 0.000 0.215 258 A C 1.646 179.270 177.584 0.067 0.000 1.191 258 A CA 1.711 53.779 52.037 0.051 0.000 0.613 258 A CB -0.534 18.491 19.000 0.043 0.000 0.829 258 A HN 0.341 nan 8.150 nan 0.000 0.442 259 D N -0.209 120.231 120.400 0.066 0.000 2.106 259 D HA -0.182 4.339 4.640 -0.198 0.000 0.191 259 D C 1.853 178.218 176.300 0.108 0.000 0.997 259 D CA 1.585 55.634 54.000 0.082 0.000 0.834 259 D CB -0.615 40.227 40.800 0.071 0.000 0.956 259 D HN 0.318 nan 8.370 nan 0.000 0.448 260 L N 1.008 122.288 121.223 0.095 0.000 2.043 260 L HA -0.182 4.040 4.340 -0.198 0.000 0.212 260 L C 2.146 179.107 176.870 0.153 0.000 1.075 260 L CA 2.111 57.022 54.840 0.118 0.000 0.752 260 L CB -0.880 41.238 42.059 0.098 0.000 0.891 260 L HN 0.008 nan 8.230 nan 0.000 0.432 261 A N -0.830 122.060 122.820 0.116 0.000 1.902 261 A HA -0.261 3.940 4.320 -0.198 0.000 0.217 261 A C 2.448 180.086 177.584 0.089 0.000 1.181 261 A CA 1.966 54.063 52.037 0.099 0.000 0.623 261 A CB -0.616 18.431 19.000 0.078 0.000 0.818 261 A HN 0.530 nan 8.150 nan 0.000 0.443 262 K N -1.583 118.873 120.400 0.093 0.000 1.978 262 K HA -0.230 3.972 4.320 -0.198 0.000 0.214 262 K C 1.933 178.575 176.600 0.071 0.000 1.049 262 K CA 1.952 58.283 56.287 0.073 0.000 0.939 262 K CB -0.499 32.050 32.500 0.081 0.000 0.721 262 K HN 0.488 nan 8.250 nan 0.000 0.441 263 Y N 1.721 122.028 120.300 0.012 0.000 1.993 263 Y HA -0.314 4.117 4.550 -0.199 0.000 0.267 263 Y C 1.998 177.889 175.900 -0.015 0.000 1.155 263 Y CA 2.311 60.412 58.100 0.001 0.000 1.105 263 Y CB -0.487 37.977 38.460 0.007 0.000 0.960 263 Y HN 0.103 nan 8.280 nan 0.000 0.486 264 I N -0.761 119.915 120.570 0.177 0.000 2.290 264 I HA -0.486 3.566 4.170 -0.198 0.000 0.253 264 I C 2.487 178.539 176.117 -0.109 0.000 1.112 264 I CA 1.607 62.929 61.300 0.038 0.000 1.377 264 I CB -0.749 37.309 38.000 0.096 0.000 1.060 264 I HN 0.447 nan 8.210 nan 0.000 0.428 265 c N 0.382 118.935 118.600 -0.078 0.000 2.475 265 c HA -0.066 4.385 4.570 -0.198 0.000 0.279 265 c C 2.608 176.621 174.090 -0.129 0.000 1.322 265 c CA 0.429 56.707 56.329 -0.085 0.000 1.734 265 c CB -0.823 41.666 42.510 -0.037 0.000 2.005 265 c HN 0.496 nan 8.230 nan 0.000 0.495 266 E N 1.355 121.450 120.200 -0.176 0.000 2.031 266 E HA -0.162 4.069 4.350 -0.198 0.000 0.193 266 E C 0.699 177.156 176.600 -0.238 0.000 0.994 266 E CA 1.239 57.523 56.400 -0.194 0.000 0.800 266 E CB -0.324 29.243 29.700 -0.221 0.000 0.752 266 E HN 0.670 nan 8.360 nan 0.000 0.447 267 N N 1.289 119.762 118.700 -0.378 0.000 2.484 267 N HA -0.007 4.614 4.740 -0.198 0.000 0.245 267 N C 0.791 176.162 175.510 -0.232 0.000 1.184 267 N CA -0.018 52.837 53.050 -0.324 0.000 0.884 267 N CB 0.241 38.445 38.487 -0.472 0.000 1.182 267 N HN 0.168 nan 8.380 nan 0.000 0.493 268 Q N 0.785 120.472 119.800 -0.188 0.000 2.029 268 Q HA -0.230 3.991 4.340 -0.198 0.000 0.209 268 Q C 0.620 176.532 176.000 -0.146 0.000 0.999 268 Q CA 1.648 57.354 55.803 -0.161 0.000 0.857 268 Q CB 0.077 28.745 28.738 -0.115 0.000 0.926 268 Q HN 0.486 nan 8.270 nan 0.000 0.415 269 D N -0.464 119.870 120.400 -0.109 0.000 2.221 269 D HA -0.115 4.406 4.640 -0.198 0.000 0.204 269 D C 1.802 178.054 176.300 -0.079 0.000 0.982 269 D CA 1.187 55.138 54.000 -0.082 0.000 0.857 269 D CB -0.069 40.694 40.800 -0.062 0.000 0.934 269 D HN 0.172 nan 8.370 nan 0.000 0.475 270 S N -0.114 115.529 115.700 -0.095 0.000 2.446 270 S HA 0.063 4.414 4.470 -0.198 0.000 0.225 270 S C 2.073 176.620 174.600 -0.088 0.000 1.016 270 S CA 0.209 58.366 58.200 -0.072 0.000 0.943 270 S CB 0.427 63.588 63.200 -0.064 0.000 0.786 270 S HN 0.244 nan 8.310 nan 0.000 0.508 271 I N -0.555 119.912 120.570 -0.172 0.000 3.025 271 I HA 0.167 4.218 4.170 -0.198 0.000 0.236 271 I C 1.024 176.938 176.117 -0.338 0.000 1.063 271 I CA 0.252 61.368 61.300 -0.306 0.000 1.476 271 I CB 0.109 37.794 38.000 -0.525 0.000 1.331 271 I HN 0.112 nan 8.210 nan 0.000 0.457 272 S N -0.934 114.548 115.700 -0.365 0.000 2.627 272 S HA 0.344 4.695 4.470 -0.198 0.000 0.283 272 S C 0.477 175.020 174.600 -0.095 0.000 1.127 272 S CA -0.090 58.002 58.200 -0.180 0.000 0.863 272 S CB 1.624 64.722 63.200 -0.170 0.000 1.121 272 S HN 0.285 nan 8.310 nan 0.000 0.479 273 S N 0.798 116.483 115.700 -0.025 0.000 2.497 273 S HA 0.103 4.454 4.470 -0.198 0.000 0.218 273 S C 0.961 175.558 174.600 -0.005 0.000 1.023 273 S CA -0.147 58.041 58.200 -0.019 0.000 0.913 273 S CB -0.111 63.085 63.200 -0.007 0.000 0.800 273 S HN 0.450 nan 8.310 nan 0.000 0.505 274 K N 1.091 121.502 120.400 0.019 0.000 2.476 274 K HA 0.465 4.667 4.320 -0.198 0.000 0.196 274 K C 1.570 178.186 176.600 0.027 0.000 1.025 274 K CA 0.688 56.993 56.287 0.029 0.000 1.138 274 K CB -0.850 31.680 32.500 0.051 0.000 0.860 274 K HN 0.693 nan 8.250 nan 0.000 0.515 275 L N -0.709 120.514 121.223 0.000 0.000 2.592 275 L HA 0.187 4.408 4.340 -0.198 0.000 0.227 275 L C 2.297 179.160 176.870 -0.012 0.000 1.127 275 L CA 0.862 55.695 54.840 -0.010 0.000 0.884 275 L CB -1.158 40.862 42.059 -0.064 0.000 1.065 275 L HN 0.297 nan 8.230 nan 0.000 0.457 276 K N -0.559 119.835 120.400 -0.010 0.000 2.020 276 K HA -0.275 3.927 4.320 -0.198 0.000 0.212 276 K C 2.047 178.648 176.600 0.001 0.000 1.050 276 K CA 1.788 58.070 56.287 -0.008 0.000 0.929 276 K CB -0.504 31.993 32.500 -0.006 0.000 0.714 276 K HN 0.906 nan 8.250 nan 0.000 0.443 277 E N -0.567 119.638 120.200 0.009 0.000 2.152 277 E HA -0.136 4.096 4.350 -0.198 0.000 0.192 277 E C 2.038 178.650 176.600 0.021 0.000 0.983 277 E CA 1.220 57.630 56.400 0.016 0.000 0.818 277 E CB -0.121 29.591 29.700 0.020 0.000 0.758 277 E HN 0.456 nan 8.360 nan 0.000 0.467 278 c N 0.023 118.634 118.600 0.020 0.000 2.440 278 c HA -0.079 4.372 4.570 -0.198 0.000 0.278 278 c C 2.532 176.636 174.090 0.023 0.000 1.295 278 c CA 0.297 56.641 56.329 0.025 0.000 1.738 278 c CB -0.715 41.810 42.510 0.025 0.000 1.987 278 c HN 0.612 nan 8.230 nan 0.000 0.492 279 c N 0.895 119.502 118.600 0.012 0.000 2.539 279 c HA 0.156 4.607 4.570 -0.198 0.000 0.271 279 c C 2.396 176.493 174.090 0.011 0.000 1.412 279 c CA 1.093 57.426 56.329 0.008 0.000 1.729 279 c CB -2.031 40.473 42.510 -0.010 0.000 1.739 279 c HN 0.794 nan 8.230 nan 0.000 0.570 280 E N 1.390 121.600 120.200 0.016 0.000 2.474 280 E HA 0.095 4.326 4.350 -0.198 0.000 0.195 280 E C 0.599 177.214 176.600 0.026 0.000 1.039 280 E CA -0.013 56.398 56.400 0.018 0.000 0.881 280 E CB -0.103 29.606 29.700 0.015 0.000 0.970 280 E HN 0.902 nan 8.360 nan 0.000 0.486 281 K N -0.772 119.649 120.400 0.035 0.000 2.331 281 K HA 0.714 4.916 4.320 -0.198 0.000 0.238 281 K C -2.823 173.808 176.600 0.051 0.000 1.058 281 K CA -2.271 54.043 56.287 0.045 0.000 0.871 281 K CB 0.996 33.530 32.500 0.056 0.000 1.292 281 K HN -0.205 nan 8.250 nan 0.000 0.470 282 P HA -0.118 nan 4.420 nan 0.000 0.266 282 P C 0.714 178.059 177.300 0.075 0.000 1.193 282 P CA -0.353 62.786 63.100 0.065 0.000 0.770 282 P CB 0.303 32.047 31.700 0.073 0.000 0.836 283 L N 4.464 125.728 121.223 0.068 0.000 1.957 283 L HA -0.261 3.960 4.340 -0.198 0.000 0.228 283 L C 1.917 178.837 176.870 0.083 0.000 1.086 283 L CA 2.039 56.920 54.840 0.067 0.000 0.796 283 L CB -1.571 40.524 42.059 0.061 0.000 0.900 283 L HN 0.367 nan 8.230 nan 0.000 0.439 284 L N -0.885 120.404 121.223 0.110 0.000 2.051 284 L HA -0.277 3.945 4.340 -0.198 0.000 0.214 284 L C 2.537 179.503 176.870 0.159 0.000 1.076 284 L CA 1.995 56.930 54.840 0.158 0.000 0.758 284 L CB -0.867 41.337 42.059 0.241 0.000 0.890 284 L HN 0.429 nan 8.230 nan 0.000 0.433 285 E N -0.273 120.043 120.200 0.193 0.000 2.274 285 E HA -0.175 4.056 4.350 -0.198 0.000 0.194 285 E C 2.094 178.747 176.600 0.088 0.000 0.996 285 E CA 0.694 57.206 56.400 0.186 0.000 0.840 285 E CB 0.051 29.876 29.700 0.209 0.000 0.772 285 E HN 0.321 nan 8.360 nan 0.000 0.491 286 K N -0.032 120.411 120.400 0.071 0.000 2.076 286 K HA -0.017 4.185 4.320 -0.198 0.000 0.204 286 K C 2.067 178.688 176.600 0.035 0.000 1.051 286 K CA 1.265 57.582 56.287 0.050 0.000 0.949 286 K CB 0.035 32.565 32.500 0.049 0.000 0.726 286 K HN -0.054 nan 8.250 nan 0.000 0.443 287 S N -0.110 115.612 115.700 0.037 0.000 2.356 287 S HA -0.195 4.156 4.470 -0.198 0.000 0.223 287 S C 1.774 176.375 174.600 0.001 0.000 1.032 287 S CA 1.644 59.868 58.200 0.040 0.000 1.005 287 S CB -0.527 62.703 63.200 0.050 0.000 0.867 287 S HN 0.509 nan 8.310 nan 0.000 0.449 288 H N 0.100 119.052 119.070 -0.197 0.000 2.387 288 H HA -0.075 4.358 4.556 -0.204 0.000 0.299 288 H C 2.407 177.626 175.328 -0.183 0.000 1.090 288 H CA 1.672 57.515 56.048 -0.342 0.000 1.332 288 H CB -0.705 28.467 29.762 -0.983 0.000 1.386 288 H HN 0.438 nan 8.280 nan 0.000 0.516 289 c N -0.185 118.339 118.600 -0.128 0.000 2.462 289 c HA -0.080 4.371 4.570 -0.198 0.000 0.278 289 c C 2.760 176.808 174.090 -0.070 0.000 1.253 289 c CA 1.045 57.320 56.329 -0.090 0.000 1.713 289 c CB -1.314 41.199 42.510 0.005 0.000 2.049 289 c HN 0.686 nan 8.230 nan 0.000 0.477 290 I N 1.800 122.362 120.570 -0.012 0.000 2.127 290 I HA -0.201 3.850 4.170 -0.198 0.000 0.241 290 I C 2.860 178.999 176.117 0.037 0.000 1.075 290 I CA 1.906 63.236 61.300 0.049 0.000 1.334 290 I CB -0.800 37.252 38.000 0.086 0.000 1.040 290 I HN 0.412 nan 8.210 nan 0.000 0.405 291 A N -0.234 122.586 122.820 -0.000 0.000 2.131 291 A HA -0.154 4.047 4.320 -0.198 0.000 0.220 291 A C 1.748 179.291 177.584 -0.069 0.000 1.158 291 A CA 1.521 53.558 52.037 -0.001 0.000 0.665 291 A CB -0.284 18.735 19.000 0.032 0.000 0.795 291 A HN 0.422 nan 8.150 nan 0.000 0.460 292 E N -0.604 119.513 120.200 -0.139 0.000 2.685 292 E HA 0.205 4.436 4.350 -0.198 0.000 0.208 292 E C -0.512 176.041 176.600 -0.078 0.000 0.996 292 E CA -0.178 56.137 56.400 -0.141 0.000 1.054 292 E CB 0.431 29.970 29.700 -0.269 0.000 1.075 292 E HN 0.240 nan 8.360 nan 0.000 0.460 293 V N 1.401 121.294 119.914 -0.036 0.000 2.732 293 V HA 0.328 4.329 4.120 -0.198 0.000 0.297 293 V C 0.202 176.289 176.094 -0.013 0.000 1.060 293 V CA 0.107 62.411 62.300 0.006 0.000 1.038 293 V CB 1.116 32.990 31.823 0.085 0.000 1.003 293 V HN 0.375 nan 8.190 nan 0.000 0.481 294 E N 4.837 125.037 120.200 -0.001 0.000 2.366 294 E HA 0.276 4.508 4.350 -0.198 0.000 0.266 294 E C 0.111 176.704 176.600 -0.012 0.000 1.051 294 E CA -0.637 55.752 56.400 -0.018 0.000 0.884 294 E CB 0.111 29.805 29.700 -0.009 0.000 1.006 294 E HN 0.864 nan 8.360 nan 0.000 0.417 295 N N 2.370 121.041 118.700 -0.049 0.000 2.407 295 N HA -0.002 4.619 4.740 -0.198 0.000 0.250 295 N C -0.308 175.204 175.510 0.004 0.000 1.236 295 N CA -0.055 52.964 53.050 -0.052 0.000 0.879 295 N CB 0.591 39.028 38.487 -0.083 0.000 1.088 295 N HN 0.720 nan 8.380 nan 0.000 0.450 296 D N 0.876 121.306 120.400 0.051 0.000 2.358 296 D HA 0.047 4.568 4.640 -0.198 0.000 0.244 296 D C -0.067 176.240 176.300 0.012 0.000 1.163 296 D CA -0.019 54.017 54.000 0.061 0.000 0.945 296 D CB 0.827 41.696 40.800 0.115 0.000 1.152 296 D HN 0.313 nan 8.370 nan 0.000 0.451 297 E N 0.835 121.036 120.200 0.002 0.000 2.390 297 E HA 0.049 4.280 4.350 -0.198 0.000 0.261 297 E C 0.178 176.760 176.600 -0.030 0.000 1.076 297 E CA -0.221 56.167 56.400 -0.020 0.000 0.905 297 E CB 0.935 30.624 29.700 -0.019 0.000 0.984 297 E HN 0.396 nan 8.360 nan 0.000 0.427 298 M N 3.439 123.007 119.600 -0.053 0.000 2.269 298 M HA 0.079 4.440 4.480 -0.198 0.000 0.350 298 M C -2.176 174.088 176.300 -0.060 0.000 1.429 298 M CA -1.314 53.942 55.300 -0.073 0.000 1.063 298 M CB 0.458 32.995 32.600 -0.106 0.000 1.841 298 M HN 0.101 nan 8.290 nan 0.000 0.455 299 P HA 0.048 nan 4.420 nan 0.000 0.262 299 P C -0.161 177.109 177.300 -0.050 0.000 1.199 299 P CA 0.008 63.083 63.100 -0.042 0.000 0.763 299 P CB 0.658 32.337 31.700 -0.035 0.000 0.790 300 A N 4.882 127.679 122.820 -0.038 0.000 2.292 300 A HA -0.219 3.983 4.320 -0.198 0.000 0.215 300 A C 0.647 178.205 177.584 -0.043 0.000 1.339 300 A CA 1.602 53.617 52.037 -0.038 0.000 0.895 300 A CB -1.370 17.614 19.000 -0.027 0.000 0.795 300 A HN 0.552 nan 8.150 nan 0.000 0.529 301 D N 0.595 120.975 120.400 -0.034 0.000 2.374 301 D HA 0.460 4.981 4.640 -0.198 0.000 0.240 301 D C -0.770 175.508 176.300 -0.037 0.000 1.229 301 D CA 0.451 54.431 54.000 -0.034 0.000 0.895 301 D CB 0.514 41.300 40.800 -0.023 0.000 1.046 301 D HN 0.280 nan 8.370 nan 0.000 0.498 302 L N 4.199 125.391 121.223 -0.052 0.000 2.333 302 L HA 0.342 4.563 4.340 -0.198 0.000 0.280 302 L C -1.676 175.162 176.870 -0.052 0.000 1.004 302 L CA -1.692 53.113 54.840 -0.058 0.000 0.820 302 L CB 1.899 43.903 42.059 -0.091 0.000 1.247 302 L HN 0.147 nan 8.230 nan 0.000 0.416 303 P HA 0.056 nan 4.420 nan 0.000 0.271 303 P C -0.393 176.890 177.300 -0.029 0.000 1.233 303 P CA -0.334 62.750 63.100 -0.027 0.000 0.789 303 P CB 1.056 32.747 31.700 -0.015 0.000 0.951 304 S N 0.020 115.708 115.700 -0.019 0.000 2.565 304 S HA 0.115 4.466 4.470 -0.198 0.000 0.276 304 S C 1.546 176.168 174.600 0.037 0.000 1.326 304 S CA -0.654 57.541 58.200 -0.009 0.000 1.045 304 S CB -0.114 63.077 63.200 -0.016 0.000 0.918 304 S HN 0.393 nan 8.310 nan 0.000 0.505 305 L N 4.374 125.649 121.223 0.086 0.000 2.127 305 L HA -0.108 4.113 4.340 -0.198 0.000 0.211 305 L C 2.792 179.840 176.870 0.297 0.000 1.089 305 L CA 1.548 56.550 54.840 0.270 0.000 0.757 305 L CB -0.741 41.488 42.059 0.283 0.000 0.899 305 L HN 0.893 nan 8.230 nan 0.000 0.434 306 A N 0.081 122.947 122.820 0.076 0.000 1.958 306 A HA -0.304 3.898 4.320 -0.198 0.000 0.221 306 A C 2.523 180.123 177.584 0.025 0.000 1.178 306 A CA 2.008 53.997 52.037 -0.080 0.000 0.642 306 A CB -0.817 18.046 19.000 -0.227 0.000 0.816 306 A HN 0.448 nan 8.150 nan 0.000 0.453 307 A N 0.148 122.981 122.820 0.021 0.000 1.852 307 A HA -0.260 3.941 4.320 -0.198 0.000 0.217 307 A C 1.740 179.317 177.584 -0.011 0.000 1.215 307 A CA 2.044 54.085 52.037 0.006 0.000 0.641 307 A CB -0.775 18.218 19.000 -0.011 0.000 0.838 307 A HN 0.482 nan 8.150 nan 0.000 0.450 308 D N -1.926 118.404 120.400 -0.117 0.000 2.323 308 D HA 0.079 4.600 4.640 -0.198 0.000 0.209 308 D C 1.074 177.134 176.300 -0.400 0.000 0.973 308 D CA 0.712 54.521 54.000 -0.318 0.000 0.874 308 D CB -0.066 40.385 40.800 -0.582 0.000 0.930 308 D HN 0.484 nan 8.370 nan 0.000 0.521 309 F N -0.486 119.604 119.950 0.233 0.000 2.712 309 F HA 0.052 4.461 4.527 -0.196 0.000 0.297 309 F C 1.984 177.977 175.800 0.322 0.000 1.114 309 F CA -0.006 58.196 58.000 0.337 0.000 1.305 309 F CB 0.346 39.556 39.000 0.350 0.000 1.086 309 F HN -0.133 nan 8.300 nan 0.000 0.599 310 V N -4.513 115.612 119.914 0.352 0.000 3.431 310 V HA 0.280 4.281 4.120 -0.198 0.000 0.255 310 V C 1.420 177.666 176.094 0.252 0.000 1.403 310 V CA 0.343 62.823 62.300 0.300 0.000 1.101 310 V CB 0.266 32.139 31.823 0.083 0.000 0.891 310 V HN 0.099 nan 8.190 nan 0.000 0.446 311 E N 1.522 121.841 120.200 0.199 0.000 2.127 311 E HA 0.139 4.371 4.350 -0.198 0.000 0.191 311 E C 1.374 178.210 176.600 0.394 0.000 0.964 311 E CA 0.738 57.306 56.400 0.279 0.000 0.832 311 E CB 0.224 30.006 29.700 0.136 0.000 0.790 311 E HN 0.575 nan 8.360 nan 0.000 0.465 312 S N -0.021 115.820 115.700 0.235 0.000 2.540 312 S HA -0.047 4.304 4.470 -0.198 0.000 0.272 312 S C 0.903 175.672 174.600 0.282 0.000 1.357 312 S CA 1.103 59.410 58.200 0.179 0.000 1.011 312 S CB 0.898 64.159 63.200 0.102 0.000 0.852 312 S HN 0.249 nan 8.310 nan 0.000 0.535 313 K N 0.892 121.388 120.400 0.161 0.000 2.355 313 K HA 0.211 4.412 4.320 -0.198 0.000 0.198 313 K C 0.821 177.506 176.600 0.142 0.000 1.039 313 K CA 0.626 57.014 56.287 0.170 0.000 1.075 313 K CB -0.154 32.356 32.500 0.017 0.000 0.870 313 K HN 0.756 nan 8.250 nan 0.000 0.540 314 D N 0.432 120.886 120.400 0.090 0.000 2.340 314 D HA 0.072 4.593 4.640 -0.198 0.000 0.217 314 D C 1.570 177.853 176.300 -0.027 0.000 1.081 314 D CA 0.165 54.183 54.000 0.030 0.000 0.842 314 D CB 0.491 41.294 40.800 0.005 0.000 0.934 314 D HN 0.117 nan 8.370 nan 0.000 0.511 315 V N 0.713 120.630 119.914 0.006 0.000 2.215 315 V HA -0.380 3.621 4.120 -0.198 0.000 0.249 315 V C 2.618 178.554 176.094 -0.264 0.000 1.054 315 V CA 1.763 63.976 62.300 -0.145 0.000 1.012 315 V CB -0.853 30.816 31.823 -0.257 0.000 0.639 315 V HN 0.342 nan 8.190 nan 0.000 0.448 316 c N -0.054 118.463 118.600 -0.139 0.000 2.403 316 c HA -0.178 4.273 4.570 -0.198 0.000 0.279 316 c C 3.149 177.216 174.090 -0.039 0.000 1.269 316 c CA 1.509 57.803 56.329 -0.059 0.000 1.774 316 c CB -1.497 41.041 42.510 0.047 0.000 1.993 316 c HN 0.744 nan 8.230 nan 0.000 0.496 317 K N 0.880 121.243 120.400 -0.061 0.000 2.025 317 K HA -0.131 4.070 4.320 -0.198 0.000 0.207 317 K C 1.652 178.182 176.600 -0.117 0.000 1.049 317 K CA 1.784 58.035 56.287 -0.060 0.000 0.933 317 K CB -0.951 31.527 32.500 -0.036 0.000 0.714 317 K HN 0.646 nan 8.250 nan 0.000 0.438 318 N N -0.710 117.859 118.700 -0.220 0.000 2.166 318 N HA -0.131 4.490 4.740 -0.198 0.000 0.186 318 N C 1.784 177.078 175.510 -0.361 0.000 1.019 318 N CA 1.587 54.456 53.050 -0.302 0.000 0.856 318 N CB -0.378 37.845 38.487 -0.440 0.000 0.993 318 N HN 0.567 nan 8.380 nan 0.000 0.426 319 Y N 2.173 122.071 120.300 -0.671 0.000 2.049 319 Y HA -0.207 4.223 4.550 -0.199 0.000 0.277 319 Y C 2.463 178.275 175.900 -0.147 0.000 1.143 319 Y CA 1.667 59.523 58.100 -0.406 0.000 1.115 319 Y CB -0.918 37.351 38.460 -0.317 0.000 0.975 319 Y HN 0.071 nan 8.280 nan 0.000 0.487 320 A N 0.292 123.011 122.820 -0.169 0.000 1.917 320 A HA -0.281 3.921 4.320 -0.198 0.000 0.219 320 A C 2.229 179.719 177.584 -0.157 0.000 1.182 320 A CA 3.083 54.992 52.037 -0.213 0.000 0.633 320 A CB -1.615 17.329 19.000 -0.093 0.000 0.819 320 A HN 0.660 nan 8.150 nan 0.000 0.448 321 E N -0.794 119.346 120.200 -0.101 0.000 2.023 321 E HA 0.200 4.431 4.350 -0.198 0.000 0.196 321 E C 1.182 177.763 176.600 -0.031 0.000 1.003 321 E CA 1.796 58.166 56.400 -0.051 0.000 0.809 321 E CB -0.667 29.016 29.700 -0.028 0.000 0.755 321 E HN 1.761 nan 8.360 nan 0.000 0.449 322 A N -0.525 122.291 122.820 -0.006 0.000 3.005 322 A HA 0.503 4.704 4.320 -0.198 0.000 0.308 322 A C 0.806 178.452 177.584 0.103 0.000 1.173 322 A CA 0.192 52.257 52.037 0.047 0.000 0.796 322 A CB 0.568 19.629 19.000 0.102 0.000 1.325 322 A HN 0.209 nan 8.150 nan 0.000 0.467 323 K N 0.291 120.674 120.400 -0.028 0.000 2.034 323 K HA -0.203 3.998 4.320 -0.198 0.000 0.214 323 K C 0.848 177.594 176.600 0.242 0.000 1.051 323 K CA 2.089 58.379 56.287 0.005 0.000 0.931 323 K CB 0.022 32.307 32.500 -0.357 0.000 0.715 323 K HN 0.604 nan 8.250 nan 0.000 0.446 324 D N 0.296 120.792 120.400 0.161 0.000 2.144 324 D HA -0.113 4.408 4.640 -0.198 0.000 0.199 324 D C 1.953 178.399 176.300 0.243 0.000 0.984 324 D CA 0.878 54.992 54.000 0.191 0.000 0.834 324 D CB -0.144 40.739 40.800 0.139 0.000 0.955 324 D HN -0.043 nan 8.370 nan 0.000 0.465 325 V N 0.484 120.550 119.914 0.252 0.000 2.427 325 V HA -0.183 3.818 4.120 -0.198 0.000 0.248 325 V C 2.119 178.382 176.094 0.282 0.000 1.051 325 V CA 1.082 63.562 62.300 0.299 0.000 1.048 325 V CB -0.544 31.443 31.823 0.274 0.000 0.666 325 V HN 0.118 nan 8.190 nan 0.000 0.456 326 F N 0.190 120.256 119.950 0.193 0.000 2.102 326 F HA -0.168 4.241 4.527 -0.197 0.000 0.298 326 F C 2.131 178.105 175.800 0.290 0.000 1.105 326 F CA 1.669 59.818 58.000 0.248 0.000 1.239 326 F CB -0.037 39.156 39.000 0.321 0.000 0.991 326 F HN 0.007 nan 8.300 nan 0.000 0.474 327 L N -0.161 121.249 121.223 0.311 0.000 2.046 327 L HA -0.171 4.050 4.340 -0.198 0.000 0.208 327 L C 2.818 179.779 176.870 0.151 0.000 1.077 327 L CA 1.351 56.321 54.840 0.216 0.000 0.747 327 L CB -1.520 40.702 42.059 0.271 0.000 0.896 327 L HN 0.333 nan 8.230 nan 0.000 0.432 328 G N -0.517 108.397 108.800 0.189 0.000 2.469 328 G HA2 -0.313 3.528 3.960 -0.198 0.000 0.219 328 G HA3 -0.313 3.528 3.960 -0.198 0.000 0.219 328 G C 1.641 176.605 174.900 0.107 0.000 1.150 328 G CA 0.870 46.122 45.100 0.254 0.000 0.763 328 G HN 0.211 nan 8.290 nan 0.000 0.561 329 M N -0.839 118.595 119.600 -0.277 0.000 2.175 329 M HA 0.089 4.450 4.480 -0.198 0.000 0.264 329 M C 2.272 178.441 176.300 -0.218 0.000 1.063 329 M CA 0.992 55.948 55.300 -0.574 0.000 1.119 329 M CB -0.227 32.044 32.600 -0.549 0.000 1.377 329 M HN 0.313 nan 8.290 nan 0.000 0.415 330 F N 0.972 120.626 119.950 -0.493 0.000 2.069 330 F HA -0.279 4.129 4.527 -0.199 0.000 0.298 330 F C 1.919 177.439 175.800 -0.466 0.000 1.113 330 F CA 1.488 58.939 58.000 -0.915 0.000 1.214 330 F CB -0.477 37.923 39.000 -1.000 0.000 0.978 330 F HN 0.003 nan 8.300 nan 0.000 0.474 331 L N 0.126 121.211 121.223 -0.230 0.000 2.012 331 L HA -0.230 3.992 4.340 -0.198 0.000 0.210 331 L C 2.329 179.092 176.870 -0.179 0.000 1.073 331 L CA 2.230 56.944 54.840 -0.209 0.000 0.748 331 L CB -1.735 40.325 42.059 0.002 0.000 0.891 331 L HN 0.467 nan 8.230 nan 0.000 0.431 332 Y N 0.315 120.531 120.300 -0.139 0.000 2.151 332 Y HA -0.254 4.176 4.550 -0.200 0.000 0.284 332 Y C 2.361 178.183 175.900 -0.130 0.000 1.166 332 Y CA 2.181 60.254 58.100 -0.046 0.000 1.163 332 Y CB -0.205 38.362 38.460 0.177 0.000 0.974 332 Y HN 0.292 nan 8.280 nan 0.000 0.511 333 E N -0.667 119.302 120.200 -0.385 0.000 2.047 333 E HA -0.226 4.005 4.350 -0.198 0.000 0.191 333 E C 2.096 178.418 176.600 -0.464 0.000 0.987 333 E CA 1.450 57.573 56.400 -0.461 0.000 0.799 333 E CB -0.913 28.651 29.700 -0.227 0.000 0.752 333 E HN 0.628 nan 8.360 nan 0.000 0.449 334 Y N 1.085 120.977 120.300 -0.679 0.000 2.242 334 Y HA -0.129 4.302 4.550 -0.197 0.000 0.291 334 Y C 2.253 177.921 175.900 -0.386 0.000 1.137 334 Y CA 1.224 58.966 58.100 -0.596 0.000 1.181 334 Y CB -0.329 37.567 38.460 -0.940 0.000 0.989 334 Y HN 0.020 nan 8.280 nan 0.000 0.527 335 A N 0.997 123.716 122.820 -0.169 0.000 1.872 335 A HA -0.178 4.023 4.320 -0.198 0.000 0.214 335 A C 2.285 179.749 177.584 -0.199 0.000 1.187 335 A CA 1.655 53.599 52.037 -0.156 0.000 0.614 335 A CB -0.741 18.154 19.000 -0.174 0.000 0.826 335 A HN 0.558 nan 8.150 nan 0.000 0.442 336 R N 0.387 120.711 120.500 -0.294 0.000 2.211 336 R HA -0.171 4.050 4.340 -0.198 0.000 0.240 336 R C 1.363 177.504 176.300 -0.265 0.000 1.144 336 R CA 1.704 57.626 56.100 -0.296 0.000 0.992 336 R CB -0.433 29.600 30.300 -0.444 0.000 0.869 336 R HN 0.656 nan 8.270 nan 0.000 0.462 337 R N -0.633 119.685 120.500 -0.304 0.000 2.577 337 R HA 0.225 4.446 4.340 -0.198 0.000 0.344 337 R C -0.268 175.687 176.300 -0.574 0.000 1.037 337 R CA -0.331 55.538 56.100 -0.385 0.000 1.102 337 R CB 0.280 30.332 30.300 -0.414 0.000 1.313 337 R HN 0.232 nan 8.270 nan 0.000 0.561 338 H N 1.380 120.266 119.070 -0.307 0.000 2.712 338 H HA 0.201 4.638 4.556 -0.199 0.000 0.226 338 H C -2.050 173.152 175.328 -0.210 0.000 1.422 338 H CA -1.468 54.361 56.048 -0.365 0.000 1.270 338 H CB 1.677 31.052 29.762 -0.644 0.000 1.891 338 H HN 0.118 nan 8.280 nan 0.000 0.518 339 P HA -0.079 nan 4.420 nan 0.000 0.230 339 P C 0.861 178.180 177.300 0.033 0.000 1.158 339 P CA 0.751 63.827 63.100 -0.039 0.000 0.769 339 P CB 0.289 31.942 31.700 -0.078 0.000 0.807 340 D N -1.940 118.524 120.400 0.107 0.000 2.336 340 D HA -0.088 4.433 4.640 -0.198 0.000 0.229 340 D C -0.128 176.391 176.300 0.366 0.000 1.061 340 D CA 0.022 54.136 54.000 0.189 0.000 0.875 340 D CB -0.469 40.455 40.800 0.207 0.000 0.904 340 D HN 0.116 nan 8.370 nan 0.000 0.525 341 Y N 1.295 121.594 120.300 -0.002 0.000 2.409 341 Y HA 0.318 4.748 4.550 -0.199 0.000 0.339 341 Y C 0.741 176.598 175.900 -0.072 0.000 1.033 341 Y CA -2.230 55.842 58.100 -0.047 0.000 1.094 341 Y CB 1.832 40.246 38.460 -0.077 0.000 1.210 341 Y HN -0.123 nan 8.280 nan 0.000 0.456 342 S N 0.298 116.010 115.700 0.020 0.000 2.601 342 S HA 0.262 4.613 4.470 -0.198 0.000 0.271 342 S C 0.866 175.457 174.600 -0.016 0.000 1.305 342 S CA -0.685 57.508 58.200 -0.011 0.000 1.022 342 S CB 1.096 64.273 63.200 -0.038 0.000 0.940 342 S HN 0.436 nan 8.310 nan 0.000 0.525 343 V N 2.519 122.427 119.914 -0.011 0.000 2.380 343 V HA -0.206 3.795 4.120 -0.198 0.000 0.251 343 V C 2.612 178.698 176.094 -0.012 0.000 1.063 343 V CA 2.057 64.344 62.300 -0.021 0.000 1.055 343 V CB -1.470 30.386 31.823 0.055 0.000 0.657 343 V HN 0.931 nan 8.190 nan 0.000 0.455 344 V N -1.544 118.366 119.914 -0.008 0.000 2.548 344 V HA -0.134 3.867 4.120 -0.198 0.000 0.249 344 V C 2.321 178.359 176.094 -0.095 0.000 1.055 344 V CA 1.861 64.135 62.300 -0.042 0.000 1.065 344 V CB -0.697 31.096 31.823 -0.049 0.000 0.681 344 V HN 0.431 nan 8.190 nan 0.000 0.462 345 L N 0.262 121.416 121.223 -0.114 0.000 2.027 345 L HA 0.002 4.223 4.340 -0.198 0.000 0.206 345 L C 2.338 179.081 176.870 -0.213 0.000 1.074 345 L CA 1.902 56.634 54.840 -0.180 0.000 0.745 345 L CB -0.839 41.078 42.059 -0.237 0.000 0.898 345 L HN 0.304 nan 8.230 nan 0.000 0.433 346 L N -1.062 120.065 121.223 -0.160 0.000 2.043 346 L HA -0.268 3.954 4.340 -0.198 0.000 0.212 346 L C 2.494 179.219 176.870 -0.241 0.000 1.075 346 L CA 1.462 56.163 54.840 -0.231 0.000 0.752 346 L CB -0.551 41.408 42.059 -0.166 0.000 0.891 346 L HN 0.312 nan 8.230 nan 0.000 0.432 347 L N -1.099 120.031 121.223 -0.155 0.000 2.291 347 L HA -0.129 4.092 4.340 -0.198 0.000 0.214 347 L C 2.695 179.483 176.870 -0.136 0.000 1.120 347 L CA 0.706 55.477 54.840 -0.116 0.000 0.799 347 L CB -0.363 41.657 42.059 -0.064 0.000 0.925 347 L HN 0.178 nan 8.230 nan 0.000 0.446 348 R N 0.152 120.548 120.500 -0.173 0.000 2.093 348 R HA -0.054 4.167 4.340 -0.198 0.000 0.224 348 R C 2.262 178.424 176.300 -0.231 0.000 1.101 348 R CA 0.945 56.942 56.100 -0.170 0.000 0.979 348 R CB -0.014 30.186 30.300 -0.166 0.000 0.877 348 R HN 0.290 nan 8.270 nan 0.000 0.441 349 L N -0.198 120.789 121.223 -0.394 0.000 2.027 349 L HA -0.095 4.126 4.340 -0.198 0.000 0.206 349 L C 2.647 179.274 176.870 -0.404 0.000 1.074 349 L CA 1.272 55.691 54.840 -0.702 0.000 0.745 349 L CB -0.641 40.682 42.059 -1.226 0.000 0.898 349 L HN 0.245 nan 8.230 nan 0.000 0.433 350 A N 0.079 122.755 122.820 -0.240 0.000 1.948 350 A HA -0.287 3.914 4.320 -0.198 0.000 0.220 350 A C 2.391 179.956 177.584 -0.031 0.000 1.177 350 A CA 2.194 54.203 52.037 -0.046 0.000 0.636 350 A CB -0.487 18.526 19.000 0.021 0.000 0.815 350 A HN 0.359 nan 8.150 nan 0.000 0.449 351 K N -1.429 118.939 120.400 -0.054 0.000 2.228 351 K HA -0.048 4.153 4.320 -0.198 0.000 0.202 351 K C 1.869 178.468 176.600 -0.002 0.000 1.051 351 K CA 1.331 57.605 56.287 -0.021 0.000 0.960 351 K CB -0.135 32.343 32.500 -0.036 0.000 0.743 351 K HN 0.420 nan 8.250 nan 0.000 0.458 352 T N 0.119 114.681 114.554 0.014 0.000 2.821 352 T HA -0.147 4.084 4.350 -0.198 0.000 0.267 352 T C 1.260 176.037 174.700 0.129 0.000 1.046 352 T CA 1.042 63.199 62.100 0.094 0.000 1.139 352 T CB -0.305 68.679 68.868 0.193 0.000 0.871 352 T HN 0.293 nan 8.240 nan 0.000 0.454 353 Y N 2.019 122.301 120.300 -0.031 0.000 2.114 353 Y HA -0.121 4.310 4.550 -0.199 0.000 0.284 353 Y C 2.505 178.270 175.900 -0.224 0.000 1.143 353 Y CA 1.794 59.781 58.100 -0.188 0.000 1.135 353 Y CB -0.403 37.728 38.460 -0.548 0.000 0.980 353 Y HN 0.289 nan 8.280 nan 0.000 0.499 354 E N -0.942 119.166 120.200 -0.153 0.000 2.038 354 E HA -0.225 4.006 4.350 -0.198 0.000 0.195 354 E C 1.927 178.434 176.600 -0.156 0.000 1.000 354 E CA 2.270 58.562 56.400 -0.180 0.000 0.803 354 E CB -0.260 29.442 29.700 0.002 0.000 0.750 354 E HN 0.484 nan 8.360 nan 0.000 0.448 355 T N 0.103 114.612 114.554 -0.076 0.000 2.720 355 T HA -0.139 4.092 4.350 -0.198 0.000 0.268 355 T C 1.879 176.530 174.700 -0.082 0.000 1.037 355 T CA 1.787 63.858 62.100 -0.048 0.000 1.144 355 T CB -0.486 68.372 68.868 -0.017 0.000 0.864 355 T HN 0.272 nan 8.240 nan 0.000 0.444 356 T N 2.370 116.851 114.554 -0.121 0.000 2.777 356 T HA 0.113 4.345 4.350 -0.198 0.000 0.266 356 T C 2.003 176.579 174.700 -0.207 0.000 1.040 356 T CA 0.697 62.722 62.100 -0.125 0.000 1.141 356 T CB -0.383 68.426 68.868 -0.099 0.000 0.868 356 T HN 0.251 nan 8.240 nan 0.000 0.444 357 L N 0.816 121.782 121.223 -0.428 0.000 2.083 357 L HA -0.080 4.141 4.340 -0.198 0.000 0.209 357 L C 2.915 179.625 176.870 -0.268 0.000 1.083 357 L CA 1.113 55.627 54.840 -0.544 0.000 0.752 357 L CB -0.519 40.865 42.059 -1.124 0.000 0.899 357 L HN 0.192 nan 8.230 nan 0.000 0.433 358 E N 0.666 120.777 120.200 -0.148 0.000 2.077 358 E HA -0.224 4.007 4.350 -0.198 0.000 0.193 358 E C 2.439 179.048 176.600 0.016 0.000 0.989 358 E CA 1.881 58.298 56.400 0.029 0.000 0.800 358 E CB -0.087 29.645 29.700 0.053 0.000 0.746 358 E HN 0.516 nan 8.360 nan 0.000 0.452 359 K N 0.671 121.063 120.400 -0.013 0.000 1.991 359 K HA -0.065 4.136 4.320 -0.198 0.000 0.207 359 K C 2.425 179.032 176.600 0.013 0.000 1.045 359 K CA 1.337 57.625 56.287 0.002 0.000 0.937 359 K CB -1.379 31.118 32.500 -0.005 0.000 0.720 359 K HN 0.199 nan 8.250 nan 0.000 0.438 360 c N 0.227 118.833 118.600 0.011 0.000 2.411 360 c HA -0.111 4.340 4.570 -0.198 0.000 0.279 360 c C 2.822 176.968 174.090 0.092 0.000 1.288 360 c CA 0.805 57.171 56.329 0.062 0.000 1.764 360 c CB -1.219 41.370 42.510 0.132 0.000 1.974 360 c HN 0.755 nan 8.230 nan 0.000 0.498 361 c N 0.410 119.046 118.600 0.061 0.000 2.500 361 c HA 0.170 4.621 4.570 -0.198 0.000 0.273 361 c C 2.459 176.591 174.090 0.068 0.000 1.428 361 c CA 0.798 57.176 56.329 0.081 0.000 1.766 361 c CB -1.548 41.012 42.510 0.084 0.000 1.817 361 c HN 0.701 nan 8.230 nan 0.000 0.543 362 A N -0.106 122.745 122.820 0.052 0.000 2.423 362 A HA 0.665 4.866 4.320 -0.198 0.000 0.246 362 A C 0.964 178.567 177.584 0.031 0.000 1.278 362 A CA 0.508 52.568 52.037 0.039 0.000 0.903 362 A CB -0.219 18.800 19.000 0.033 0.000 0.997 362 A HN 0.458 nan 8.150 nan 0.000 0.510 363 A N -1.092 121.749 122.820 0.035 0.000 2.239 363 A HA 0.702 4.903 4.320 -0.198 0.000 0.303 363 A C 1.375 178.971 177.584 0.021 0.000 1.114 363 A CA 0.158 52.209 52.037 0.023 0.000 0.871 363 A CB 0.240 19.251 19.000 0.019 0.000 1.201 363 A HN 0.990 nan 8.150 nan 0.000 0.506 364 A N -1.619 121.208 122.820 0.011 0.000 2.167 364 A HA 0.436 4.638 4.320 -0.198 0.000 0.214 364 A C 0.867 178.454 177.584 0.006 0.000 1.151 364 A CA 1.710 53.751 52.037 0.008 0.000 0.735 364 A CB -0.658 18.344 19.000 0.002 0.000 0.802 364 A HN 1.605 nan 8.150 nan 0.000 0.467 365 D N -0.741 119.660 120.400 0.002 0.000 2.752 365 D HA 0.450 4.971 4.640 -0.198 0.000 0.242 365 D C -1.917 174.366 176.300 -0.029 0.000 1.295 365 D CA -0.495 53.501 54.000 -0.007 0.000 0.846 365 D CB 0.154 40.943 40.800 -0.018 0.000 1.454 365 D HN -0.016 nan 8.370 nan 0.000 0.535 366 P HA -0.242 nan 4.420 nan 0.000 0.214 366 P C 1.489 178.530 177.300 -0.431 0.000 1.172 366 P CA 1.641 64.752 63.100 0.019 0.000 0.925 366 P CB 0.069 31.913 31.700 0.240 0.000 0.793 367 H N -0.705 118.025 119.070 -0.567 0.000 2.431 367 H HA -0.196 4.241 4.556 -0.198 0.000 0.297 367 H C 1.969 176.892 175.328 -0.675 0.000 1.115 367 H CA 2.109 57.604 56.048 -0.922 0.000 1.277 367 H CB -0.187 29.371 29.762 -0.340 0.000 1.372 367 H HN 0.239 nan 8.280 nan 0.000 0.516 368 E N -1.228 118.787 120.200 -0.308 0.000 2.170 368 E HA -0.122 4.109 4.350 -0.198 0.000 0.191 368 E C 2.245 178.719 176.600 -0.211 0.000 0.981 368 E CA 0.774 57.055 56.400 -0.198 0.000 0.830 368 E CB -0.262 29.388 29.700 -0.084 0.000 0.775 368 E HN 0.535 nan 8.360 nan 0.000 0.470 369 c N 0.677 119.147 118.600 -0.215 0.000 2.518 369 c HA -0.057 4.394 4.570 -0.198 0.000 0.279 369 c C 2.388 176.427 174.090 -0.086 0.000 1.279 369 c CA 0.771 57.034 56.329 -0.110 0.000 1.703 369 c CB -1.080 41.407 42.510 -0.039 0.000 2.072 369 c HN 0.691 nan 8.230 nan 0.000 0.487 370 Y N 1.000 121.246 120.300 -0.090 0.000 2.470 370 Y HA 0.590 5.022 4.550 -0.197 0.000 0.302 370 Y C 1.674 177.502 175.900 -0.121 0.000 1.194 370 Y CA 0.090 58.130 58.100 -0.099 0.000 1.271 370 Y CB -1.339 37.057 38.460 -0.108 0.000 1.092 370 Y HN 0.219 nan 8.280 nan 0.000 0.513 371 A N 1.310 123.979 122.820 -0.253 0.000 2.014 371 A HA -0.018 4.183 4.320 -0.198 0.000 0.218 371 A C 1.748 179.277 177.584 -0.091 0.000 1.163 371 A CA 0.861 52.742 52.037 -0.260 0.000 0.652 371 A CB -0.236 18.561 19.000 -0.338 0.000 0.808 371 A HN 0.474 nan 8.150 nan 0.000 0.449 372 K N -0.386 119.989 120.400 -0.042 0.000 2.593 372 K HA 0.272 4.473 4.320 -0.198 0.000 0.208 372 K C 0.984 177.596 176.600 0.019 0.000 1.051 372 K CA -0.041 56.240 56.287 -0.010 0.000 1.111 372 K CB 0.656 33.145 32.500 -0.018 0.000 0.849 372 K HN 0.170 nan 8.250 nan 0.000 0.479 373 V N 0.479 120.426 119.914 0.054 0.000 2.324 373 V HA -0.264 3.737 4.120 -0.198 0.000 0.250 373 V C 1.422 177.363 176.094 -0.255 0.000 1.060 373 V CA 1.889 64.168 62.300 -0.035 0.000 1.042 373 V CB -0.365 31.483 31.823 0.042 0.000 0.650 373 V HN 0.309 nan 8.190 nan 0.000 0.450 374 F N 0.628 120.315 119.950 -0.438 0.000 2.373 374 F HA -0.099 4.310 4.527 -0.196 0.000 0.300 374 F C 2.045 177.736 175.800 -0.182 0.000 1.080 374 F CA 1.635 59.368 58.000 -0.446 0.000 1.417 374 F CB -0.865 38.063 39.000 -0.120 0.000 1.070 374 F HN 0.315 nan 8.300 nan 0.000 0.546 375 D N -0.021 120.407 120.400 0.047 0.000 2.224 375 D HA -0.063 4.458 4.640 -0.198 0.000 0.205 375 D C 2.339 178.667 176.300 0.046 0.000 0.965 375 D CA 1.309 55.343 54.000 0.056 0.000 0.852 375 D CB -0.029 40.793 40.800 0.036 0.000 0.947 375 D HN 0.421 nan 8.370 nan 0.000 0.494 376 E N -0.409 119.788 120.200 -0.005 0.000 2.435 376 E HA -0.037 4.194 4.350 -0.198 0.000 0.195 376 E C 1.488 178.229 176.600 0.234 0.000 1.029 376 E CA 0.306 56.745 56.400 0.065 0.000 0.865 376 E CB -0.743 28.979 29.700 0.036 0.000 0.833 376 E HN 0.200 nan 8.360 nan 0.000 0.510 377 F N 0.856 120.804 119.950 -0.002 0.000 2.335 377 F HA 0.191 4.601 4.527 -0.195 0.000 0.296 377 F C 2.204 177.990 175.800 -0.025 0.000 1.091 377 F CA 0.633 58.601 58.000 -0.053 0.000 1.399 377 F CB -0.390 38.543 39.000 -0.112 0.000 1.067 377 F HN 0.185 nan 8.300 nan 0.000 0.520 378 K N 0.671 121.199 120.400 0.214 0.000 2.034 378 K HA -0.221 3.980 4.320 -0.198 0.000 0.214 378 K C -0.696 175.944 176.600 0.068 0.000 1.051 378 K CA 2.173 58.536 56.287 0.128 0.000 0.931 378 K CB -1.218 31.347 32.500 0.108 0.000 0.715 378 K HN 0.114 nan 8.250 nan 0.000 0.446 379 P HA -0.132 nan 4.420 nan 0.000 0.216 379 P C 1.279 178.577 177.300 -0.004 0.000 1.153 379 P CA 1.201 64.316 63.100 0.025 0.000 0.848 379 P CB 0.002 31.720 31.700 0.029 0.000 0.787 380 L N -1.242 119.978 121.223 -0.005 0.000 2.079 380 L HA -0.155 4.066 4.340 -0.198 0.000 0.210 380 L C 2.287 179.081 176.870 -0.126 0.000 1.081 380 L CA 1.346 56.146 54.840 -0.067 0.000 0.752 380 L CB -1.034 40.970 42.059 -0.091 0.000 0.896 380 L HN -0.107 nan 8.230 nan 0.000 0.433 381 V N -0.579 119.259 119.914 -0.126 0.000 2.407 381 V HA -0.193 3.808 4.120 -0.198 0.000 0.245 381 V C 2.297 178.299 176.094 -0.153 0.000 1.041 381 V CA 1.469 63.637 62.300 -0.219 0.000 1.040 381 V CB -0.345 31.362 31.823 -0.194 0.000 0.671 381 V HN 0.413 nan 8.190 nan 0.000 0.455 382 E N -0.254 119.902 120.200 -0.073 0.000 2.106 382 E HA -0.208 4.023 4.350 -0.198 0.000 0.192 382 E C 2.314 178.887 176.600 -0.045 0.000 0.984 382 E CA 0.916 57.289 56.400 -0.045 0.000 0.806 382 E CB -0.096 29.597 29.700 -0.011 0.000 0.750 382 E HN 0.534 nan 8.360 nan 0.000 0.458 383 E N 0.684 120.856 120.200 -0.046 0.000 2.049 383 E HA -0.175 4.056 4.350 -0.198 0.000 0.198 383 E C -0.706 175.869 176.600 -0.041 0.000 1.007 383 E CA 1.616 57.994 56.400 -0.036 0.000 0.809 383 E CB -0.852 28.826 29.700 -0.037 0.000 0.749 383 E HN 0.177 nan 8.360 nan 0.000 0.450 384 P HA -0.125 nan 4.420 nan 0.000 0.216 384 P C 1.354 178.623 177.300 -0.052 0.000 1.153 384 P CA 1.547 64.610 63.100 -0.062 0.000 0.848 384 P CB -0.110 31.529 31.700 -0.102 0.000 0.787 385 Q N 0.053 119.813 119.800 -0.066 0.000 2.030 385 Q HA -0.183 4.038 4.340 -0.198 0.000 0.204 385 Q C 1.982 177.969 176.000 -0.021 0.000 0.986 385 Q CA 1.866 57.640 55.803 -0.049 0.000 0.843 385 Q CB -1.097 27.609 28.738 -0.054 0.000 0.904 385 Q HN 0.159 nan 8.270 nan 0.000 0.420 386 N N -0.255 118.435 118.700 -0.015 0.000 2.120 386 N HA -0.148 4.473 4.740 -0.198 0.000 0.188 386 N C 1.680 177.195 175.510 0.009 0.000 1.024 386 N CA 1.105 54.155 53.050 -0.000 0.000 0.852 386 N CB -0.400 38.088 38.487 0.001 0.000 1.003 386 N HN 0.237 nan 8.380 nan 0.000 0.424 387 L N 1.471 122.699 121.223 0.008 0.000 2.012 387 L HA -0.110 4.111 4.340 -0.198 0.000 0.210 387 L C 1.951 178.841 176.870 0.033 0.000 1.073 387 L CA 1.326 56.181 54.840 0.024 0.000 0.748 387 L CB -0.437 41.634 42.059 0.021 0.000 0.891 387 L HN 0.049 nan 8.230 nan 0.000 0.431 388 I N -0.295 120.284 120.570 0.016 0.000 2.226 388 I HA -0.290 3.761 4.170 -0.198 0.000 0.245 388 I C 2.481 178.607 176.117 0.016 0.000 1.100 388 I CA 1.409 62.717 61.300 0.013 0.000 1.374 388 I CB -1.406 36.590 38.000 -0.007 0.000 1.057 388 I HN 0.426 nan 8.210 nan 0.000 0.413 389 K N 0.975 121.383 120.400 0.013 0.000 2.032 389 K HA -0.255 3.946 4.320 -0.198 0.000 0.209 389 K C 2.374 178.991 176.600 0.029 0.000 1.048 389 K CA 2.255 58.552 56.287 0.016 0.000 0.927 389 K CB -0.032 32.476 32.500 0.013 0.000 0.712 389 K HN 0.420 nan 8.250 nan 0.000 0.441 390 Q N 1.226 121.049 119.800 0.039 0.000 2.046 390 Q HA -0.143 4.078 4.340 -0.198 0.000 0.200 390 Q C 1.713 177.765 176.000 0.087 0.000 0.975 390 Q CA 1.804 57.640 55.803 0.055 0.000 0.836 390 Q CB -0.939 27.831 28.738 0.054 0.000 0.896 390 Q HN 0.507 nan 8.270 nan 0.000 0.428 391 N N -0.463 118.302 118.700 0.108 0.000 2.331 391 N HA -0.083 4.538 4.740 -0.198 0.000 0.180 391 N C 1.870 177.430 175.510 0.084 0.000 1.019 391 N CA 1.316 54.478 53.050 0.186 0.000 0.881 391 N CB -0.165 38.463 38.487 0.234 0.000 0.972 391 N HN 0.587 nan 8.380 nan 0.000 0.435 392 c N 0.934 119.549 118.600 0.025 0.000 2.467 392 c HA 0.056 4.507 4.570 -0.198 0.000 0.279 392 c C 2.578 176.691 174.090 0.037 0.000 1.347 392 c CA 0.070 56.396 56.329 -0.006 0.000 1.748 392 c CB -0.583 41.918 42.510 -0.016 0.000 1.977 392 c HN 0.462 nan 8.230 nan 0.000 0.501 393 E N 0.305 120.526 120.200 0.035 0.000 2.077 393 E HA -0.218 4.013 4.350 -0.198 0.000 0.193 393 E C 1.986 178.598 176.600 0.021 0.000 0.989 393 E CA 0.983 57.398 56.400 0.026 0.000 0.800 393 E CB -0.181 29.537 29.700 0.029 0.000 0.746 393 E HN 0.453 nan 8.360 nan 0.000 0.452 394 L N 0.503 121.763 121.223 0.062 0.000 1.994 394 L HA -0.177 4.045 4.340 -0.198 0.000 0.208 394 L C 2.152 179.027 176.870 0.008 0.000 1.071 394 L CA 1.617 56.518 54.840 0.102 0.000 0.745 394 L CB -0.685 41.532 42.059 0.263 0.000 0.892 394 L HN 0.134 nan 8.230 nan 0.000 0.431 395 F N 0.773 120.512 119.950 -0.352 0.000 2.120 395 F HA -0.257 4.155 4.527 -0.192 0.000 0.300 395 F C 2.289 177.920 175.800 -0.282 0.000 1.095 395 F CA 2.103 59.705 58.000 -0.663 0.000 1.249 395 F CB -0.375 38.026 39.000 -0.999 0.000 0.995 395 F HN 0.261 nan 8.300 nan 0.000 0.480 396 E N -0.552 119.467 120.200 -0.301 0.000 2.338 396 E HA -0.203 4.028 4.350 -0.198 0.000 0.197 396 E C 2.239 178.688 176.600 -0.251 0.000 1.007 396 E CA 0.949 57.173 56.400 -0.293 0.000 0.849 396 E CB -0.168 29.484 29.700 -0.080 0.000 0.774 396 E HN 0.754 nan 8.360 nan 0.000 0.506 397 Q N 0.318 120.004 119.800 -0.189 0.000 2.287 397 Q HA 0.114 4.335 4.340 -0.198 0.000 0.201 397 Q C 1.961 177.893 176.000 -0.112 0.000 0.946 397 Q CA 0.247 55.983 55.803 -0.112 0.000 0.868 397 Q CB -0.362 28.351 28.738 -0.043 0.000 0.967 397 Q HN 0.203 nan 8.270 nan 0.000 0.516 398 L N -0.758 120.403 121.223 -0.103 0.000 2.209 398 L HA 0.428 4.650 4.340 -0.198 0.000 0.207 398 L C 1.426 178.237 176.870 -0.099 0.000 1.094 398 L CA 0.596 55.409 54.840 -0.044 0.000 0.790 398 L CB -0.171 41.931 42.059 0.073 0.000 0.932 398 L HN 0.703 nan 8.230 nan 0.000 0.447 399 G N 0.355 108.974 108.800 -0.301 0.000 2.712 399 G HA2 -0.254 3.587 3.960 -0.198 0.000 0.683 399 G HA3 -0.254 3.587 3.960 -0.198 0.000 0.683 399 G C 0.239 175.058 174.900 -0.135 0.000 1.320 399 G CA 0.068 44.969 45.100 -0.332 0.000 0.847 399 G HN 0.234 nan 8.290 nan 0.000 0.553 400 E N -0.831 119.388 120.200 0.033 0.000 2.038 400 E HA -0.208 4.024 4.350 -0.198 0.000 0.195 400 E C 2.067 178.851 176.600 0.307 0.000 1.000 400 E CA 2.037 58.628 56.400 0.317 0.000 0.803 400 E CB -0.206 29.681 29.700 0.311 0.000 0.750 400 E HN 0.681 nan 8.360 nan 0.000 0.448 401 Y N 1.406 121.778 120.300 0.119 0.000 2.097 401 Y HA -0.201 4.229 4.550 -0.200 0.000 0.282 401 Y C 1.995 177.952 175.900 0.095 0.000 1.152 401 Y CA 2.075 60.230 58.100 0.092 0.000 1.136 401 Y CB -0.120 38.372 38.460 0.054 0.000 0.975 401 Y HN -0.069 nan 8.280 nan 0.000 0.498 402 K N -1.112 119.262 120.400 -0.044 0.000 2.097 402 K HA -0.176 4.025 4.320 -0.198 0.000 0.205 402 K C 2.051 178.633 176.600 -0.029 0.000 1.050 402 K CA 1.477 57.684 56.287 -0.133 0.000 0.938 402 K CB -0.538 31.963 32.500 0.002 0.000 0.718 402 K HN 0.322 nan 8.250 nan 0.000 0.442 403 F N 2.599 122.524 119.950 -0.042 0.000 2.171 403 F HA -0.192 4.214 4.527 -0.203 0.000 0.300 403 F C 2.081 177.886 175.800 0.007 0.000 1.090 403 F CA 1.522 59.539 58.000 0.029 0.000 1.293 403 F CB -0.006 39.095 39.000 0.169 0.000 1.013 403 F HN 0.034 nan 8.300 nan 0.000 0.486 404 Q N -0.287 119.523 119.800 0.016 0.000 2.119 404 Q HA -0.178 4.043 4.340 -0.198 0.000 0.201 404 Q C 1.903 177.789 176.000 -0.189 0.000 0.972 404 Q CA 1.308 57.054 55.803 -0.095 0.000 0.847 404 Q CB -0.319 28.420 28.738 0.001 0.000 0.903 404 Q HN 0.379 nan 8.270 nan 0.000 0.433 405 N N 0.946 119.499 118.700 -0.245 0.000 2.084 405 N HA -0.137 4.484 4.740 -0.198 0.000 0.190 405 N C 1.706 177.111 175.510 -0.175 0.000 1.030 405 N CA 1.428 54.332 53.050 -0.243 0.000 0.849 405 N CB -0.424 37.858 38.487 -0.342 0.000 1.012 405 N HN 0.245 nan 8.380 nan 0.000 0.423 406 A N 1.390 124.099 122.820 -0.186 0.000 1.883 406 A HA -0.104 4.098 4.320 -0.198 0.000 0.217 406 A C 2.361 179.835 177.584 -0.182 0.000 1.186 406 A CA 1.134 53.071 52.037 -0.167 0.000 0.624 406 A CB -0.883 18.011 19.000 -0.177 0.000 0.822 406 A HN 0.259 nan 8.150 nan 0.000 0.444 407 L N -0.863 120.190 121.223 -0.284 0.000 2.191 407 L HA -0.152 4.069 4.340 -0.198 0.000 0.212 407 L C 2.557 179.405 176.870 -0.038 0.000 1.103 407 L CA 0.696 55.428 54.840 -0.180 0.000 0.769 407 L CB -0.497 41.378 42.059 -0.307 0.000 0.908 407 L HN 0.389 nan 8.230 nan 0.000 0.438 408 L N -0.828 120.345 121.223 -0.083 0.000 2.017 408 L HA -0.201 4.020 4.340 -0.198 0.000 0.208 408 L C 2.537 179.402 176.870 -0.009 0.000 1.073 408 L CA 1.055 55.871 54.840 -0.040 0.000 0.745 408 L CB -0.280 41.741 42.059 -0.063 0.000 0.894 408 L HN 0.045 nan 8.230 nan 0.000 0.432 409 V N -0.355 119.541 119.914 -0.031 0.000 2.287 409 V HA -0.333 3.668 4.120 -0.198 0.000 0.248 409 V C 2.578 178.658 176.094 -0.024 0.000 1.053 409 V CA 2.034 64.321 62.300 -0.022 0.000 1.027 409 V CB -0.700 31.107 31.823 -0.026 0.000 0.646 409 V HN 0.436 nan 8.190 nan 0.000 0.447 410 R N -1.132 119.354 120.500 -0.024 0.000 2.083 410 R HA -0.210 4.011 4.340 -0.198 0.000 0.237 410 R C 2.315 178.543 176.300 -0.120 0.000 1.137 410 R CA 2.119 58.184 56.100 -0.058 0.000 0.951 410 R CB -0.406 29.872 30.300 -0.036 0.000 0.851 410 R HN 0.543 nan 8.270 nan 0.000 0.434 411 Y N -0.207 120.036 120.300 -0.095 0.000 2.263 411 Y HA -0.093 4.342 4.550 -0.191 0.000 0.292 411 Y C 2.471 178.317 175.900 -0.090 0.000 1.130 411 Y CA 1.721 59.766 58.100 -0.093 0.000 1.179 411 Y CB -0.215 38.172 38.460 -0.122 0.000 0.998 411 Y HN 0.107 nan 8.280 nan 0.000 0.532 412 T N -0.200 114.362 114.554 0.013 0.000 2.833 412 T HA -0.172 4.060 4.350 -0.198 0.000 0.269 412 T C 1.782 176.411 174.700 -0.118 0.000 1.054 412 T CA 1.414 63.480 62.100 -0.057 0.000 1.135 412 T CB -0.138 68.702 68.868 -0.047 0.000 0.869 412 T HN 0.283 nan 8.240 nan 0.000 0.466 413 K N 0.762 121.103 120.400 -0.098 0.000 2.148 413 K HA 0.001 4.202 4.320 -0.198 0.000 0.204 413 K C 2.339 178.863 176.600 -0.127 0.000 1.050 413 K CA 0.911 57.137 56.287 -0.102 0.000 0.942 413 K CB 0.022 32.480 32.500 -0.071 0.000 0.724 413 K HN 0.303 nan 8.250 nan 0.000 0.446 414 K N 0.449 120.752 120.400 -0.163 0.000 2.021 414 K HA -0.036 4.165 4.320 -0.198 0.000 0.205 414 K C 0.923 177.454 176.600 -0.115 0.000 1.047 414 K CA 1.120 57.310 56.287 -0.161 0.000 0.943 414 K CB 0.346 32.686 32.500 -0.266 0.000 0.725 414 K HN 0.011 nan 8.250 nan 0.000 0.439 415 V N -1.146 118.707 119.914 -0.102 0.000 2.320 415 V HA 0.252 4.253 4.120 -0.198 0.000 0.257 415 V C -2.629 173.384 176.094 -0.135 0.000 0.996 415 V CA -1.633 60.622 62.300 -0.076 0.000 0.928 415 V CB 0.973 32.800 31.823 0.007 0.000 1.169 415 V HN -0.060 nan 8.190 nan 0.000 0.475 416 P HA -0.121 nan 4.420 nan 0.000 0.219 416 P C 1.450 178.545 177.300 -0.341 0.000 1.146 416 P CA 1.368 64.168 63.100 -0.500 0.000 0.808 416 P CB 0.287 31.243 31.700 -1.240 0.000 0.779 417 Q N -0.626 119.064 119.800 -0.183 0.000 2.084 417 Q HA -0.050 4.172 4.340 -0.198 0.000 0.202 417 Q C 0.729 176.731 176.000 0.002 0.000 0.978 417 Q CA 0.576 56.361 55.803 -0.029 0.000 0.844 417 Q CB -1.510 27.254 28.738 0.044 0.000 0.898 417 Q HN 0.081 nan 8.270 nan 0.000 0.426 418 V N 2.441 122.365 119.914 0.017 0.000 2.752 418 V HA -0.107 3.895 4.120 -0.198 0.000 0.306 418 V C 0.536 176.636 176.094 0.011 0.000 1.099 418 V CA 0.321 62.653 62.300 0.053 0.000 1.240 418 V CB 0.216 32.073 31.823 0.056 0.000 0.887 418 V HN 0.456 nan 8.190 nan 0.000 0.499 419 S N 3.338 119.049 115.700 0.018 0.000 2.537 419 S HA 0.011 4.363 4.470 -0.198 0.000 0.286 419 S C 1.277 175.867 174.600 -0.016 0.000 1.299 419 S CA 0.112 58.311 58.200 -0.003 0.000 1.067 419 S CB 0.931 64.129 63.200 -0.004 0.000 0.864 419 S HN 0.814 nan 8.310 nan 0.000 0.494 420 T N 4.901 119.439 114.554 -0.027 0.000 2.649 420 T HA -0.100 4.132 4.350 -0.198 0.000 0.268 420 T C -0.845 173.836 174.700 -0.033 0.000 1.036 420 T CA 2.137 64.215 62.100 -0.036 0.000 1.157 420 T CB -1.663 67.176 68.868 -0.049 0.000 0.861 420 T HN 0.608 nan 8.240 nan 0.000 0.445 421 P HA -0.061 nan 4.420 nan 0.000 0.215 421 P C 1.714 178.999 177.300 -0.026 0.000 1.157 421 P CA 1.299 64.383 63.100 -0.026 0.000 0.868 421 P CB -0.296 31.391 31.700 -0.023 0.000 0.788 422 T N -0.137 114.404 114.554 -0.022 0.000 2.720 422 T HA -0.141 4.091 4.350 -0.198 0.000 0.268 422 T C 1.753 176.427 174.700 -0.043 0.000 1.037 422 T CA 1.175 63.260 62.100 -0.025 0.000 1.144 422 T CB -1.005 67.860 68.868 -0.004 0.000 0.864 422 T HN 0.052 nan 8.240 nan 0.000 0.444 423 L N 0.634 121.835 121.223 -0.037 0.000 2.083 423 L HA -0.091 4.130 4.340 -0.198 0.000 0.209 423 L C 2.662 179.493 176.870 -0.064 0.000 1.083 423 L CA 0.868 55.678 54.840 -0.050 0.000 0.752 423 L CB -0.678 41.364 42.059 -0.028 0.000 0.899 423 L HN 0.162 nan 8.230 nan 0.000 0.433 424 V N -0.195 119.691 119.914 -0.046 0.000 2.295 424 V HA -0.271 3.730 4.120 -0.198 0.000 0.246 424 V C 2.499 178.567 176.094 -0.044 0.000 1.049 424 V CA 1.959 64.236 62.300 -0.039 0.000 1.024 424 V CB -0.419 31.391 31.823 -0.023 0.000 0.648 424 V HN 0.435 nan 8.190 nan 0.000 0.447 425 E N 0.625 120.799 120.200 -0.044 0.000 2.023 425 E HA -0.192 4.040 4.350 -0.198 0.000 0.196 425 E C 2.062 178.619 176.600 -0.072 0.000 1.003 425 E CA 1.984 58.359 56.400 -0.042 0.000 0.809 425 E CB -0.554 29.123 29.700 -0.037 0.000 0.755 425 E HN 0.294 nan 8.360 nan 0.000 0.449 426 V N 0.385 120.232 119.914 -0.113 0.000 2.407 426 V HA -0.236 3.766 4.120 -0.198 0.000 0.248 426 V C 2.349 178.306 176.094 -0.229 0.000 1.055 426 V CA 1.999 64.189 62.300 -0.184 0.000 1.049 426 V CB -0.530 31.146 31.823 -0.244 0.000 0.662 426 V HN 0.251 nan 8.190 nan 0.000 0.455 427 S N -0.737 114.840 115.700 -0.205 0.000 2.406 427 S HA -0.077 4.274 4.470 -0.198 0.000 0.228 427 S C 2.052 176.580 174.600 -0.120 0.000 1.020 427 S CA 0.908 58.979 58.200 -0.214 0.000 0.965 427 S CB -0.184 62.919 63.200 -0.162 0.000 0.798 427 S HN 0.563 nan 8.310 nan 0.000 0.488 428 R N 1.573 122.035 120.500 -0.063 0.000 2.073 428 R HA 0.063 4.285 4.340 -0.198 0.000 0.229 428 R C 1.796 178.109 176.300 0.022 0.000 1.120 428 R CA 1.169 57.270 56.100 0.001 0.000 0.967 428 R CB -0.406 29.907 30.300 0.022 0.000 0.862 428 R HN 0.333 nan 8.270 nan 0.000 0.436 429 N N 1.248 119.947 118.700 -0.001 0.000 2.084 429 N HA -0.119 4.503 4.740 -0.198 0.000 0.190 429 N C 2.004 177.558 175.510 0.073 0.000 1.030 429 N CA 1.092 54.168 53.050 0.043 0.000 0.849 429 N CB -0.372 38.114 38.487 -0.003 0.000 1.012 429 N HN 0.157 nan 8.380 nan 0.000 0.423 430 L N 0.434 121.644 121.223 -0.022 0.000 2.043 430 L HA -0.139 4.082 4.340 -0.198 0.000 0.212 430 L C 2.424 179.342 176.870 0.080 0.000 1.075 430 L CA 1.546 56.376 54.840 -0.015 0.000 0.752 430 L CB -0.982 40.968 42.059 -0.183 0.000 0.891 430 L HN 0.246 nan 8.230 nan 0.000 0.432 431 G N -0.302 108.551 108.800 0.089 0.000 2.432 431 G HA2 -0.220 3.621 3.960 -0.198 0.000 0.219 431 G HA3 -0.220 3.621 3.960 -0.198 0.000 0.219 431 G C 1.623 176.624 174.900 0.170 0.000 1.135 431 G CA 0.337 45.597 45.100 0.267 0.000 0.767 431 G HN 0.319 nan 8.290 nan 0.000 0.550 432 K N 0.137 120.588 120.400 0.084 0.000 2.442 432 K HA 0.049 4.250 4.320 -0.198 0.000 0.198 432 K C 2.203 178.691 176.600 -0.187 0.000 1.042 432 K CA 0.332 56.616 56.287 -0.005 0.000 0.958 432 K CB 0.119 32.647 32.500 0.046 0.000 0.766 432 K HN 0.279 nan 8.250 nan 0.000 0.474 433 V N -0.062 119.749 119.914 -0.171 0.000 2.871 433 V HA -0.084 3.918 4.120 -0.198 0.000 0.256 433 V C 2.150 177.990 176.094 -0.424 0.000 1.082 433 V CA 1.816 63.897 62.300 -0.365 0.000 1.105 433 V CB -0.314 31.452 31.823 -0.096 0.000 0.713 433 V HN 0.402 nan 8.190 nan 0.000 0.473 434 G N -0.344 108.127 108.800 -0.550 0.000 2.494 434 G HA2 -0.123 3.718 3.960 -0.198 0.000 0.216 434 G HA3 -0.123 3.718 3.960 -0.198 0.000 0.216 434 G C 1.723 175.791 174.900 -1.386 0.000 1.140 434 G CA 0.909 45.320 45.100 -1.148 0.000 0.801 434 G HN 0.513 nan 8.290 nan 0.000 0.536 435 S N -0.057 115.124 115.700 -0.864 0.000 2.387 435 S HA -0.051 4.300 4.470 -0.198 0.000 0.226 435 S C 2.292 176.706 174.600 -0.311 0.000 1.026 435 S CA 1.270 59.238 58.200 -0.386 0.000 0.972 435 S CB 0.052 63.198 63.200 -0.090 0.000 0.814 435 S HN 0.363 nan 8.310 nan 0.000 0.477 436 K N 0.577 120.762 120.400 -0.358 0.000 2.044 436 K HA 0.030 4.231 4.320 -0.198 0.000 0.204 436 K C 2.036 178.481 176.600 -0.259 0.000 1.049 436 K CA 1.365 57.468 56.287 -0.306 0.000 0.945 436 K CB -0.900 31.342 32.500 -0.430 0.000 0.724 436 K HN 0.634 nan 8.250 nan 0.000 0.440 437 c N -0.698 117.741 118.600 -0.269 0.000 2.609 437 c HA 0.293 4.744 4.570 -0.198 0.000 0.305 437 c C 2.753 176.772 174.090 -0.118 0.000 1.319 437 c CA -0.106 56.165 56.329 -0.097 0.000 1.793 437 c CB -0.904 41.553 42.510 -0.089 0.000 2.260 437 c HN 0.721 nan 8.230 nan 0.000 0.535 438 c N 1.663 120.114 118.600 -0.248 0.000 2.409 438 c HA -0.062 4.389 4.570 -0.198 0.000 0.284 438 c C 2.994 177.026 174.090 -0.098 0.000 1.354 438 c CA 1.852 58.082 56.329 -0.166 0.000 1.787 438 c CB -1.465 40.915 42.510 -0.218 0.000 1.900 438 c HN 0.746 nan 8.230 nan 0.000 0.520 439 K N -0.272 120.023 120.400 -0.176 0.000 2.486 439 K HA -0.015 4.186 4.320 -0.198 0.000 0.194 439 K C 0.703 177.188 176.600 -0.193 0.000 1.033 439 K CA 0.822 57.002 56.287 -0.178 0.000 1.004 439 K CB -0.569 31.791 32.500 -0.234 0.000 0.798 439 K HN 0.697 nan 8.250 nan 0.000 0.495 440 H N 0.006 119.050 119.070 -0.044 0.000 2.509 440 H HA 0.337 4.772 4.556 -0.201 0.000 0.359 440 H C -2.343 172.971 175.328 -0.024 0.000 1.253 440 H CA -2.318 53.710 56.048 -0.034 0.000 1.373 440 H CB 1.218 30.955 29.762 -0.042 0.000 1.555 440 H HN 0.061 nan 8.280 nan 0.000 0.586 441 P HA 0.084 nan 4.420 nan 0.000 0.276 441 P C 0.443 177.773 177.300 0.050 0.000 1.244 441 P CA -0.302 62.839 63.100 0.067 0.000 0.801 441 P CB 0.953 32.683 31.700 0.050 0.000 1.006 442 E N 1.390 121.609 120.200 0.031 0.000 2.187 442 E HA -0.257 3.974 4.350 -0.198 0.000 0.199 442 E C 1.942 178.551 176.600 0.014 0.000 1.004 442 E CA 2.091 58.503 56.400 0.020 0.000 0.813 442 E CB -0.731 28.980 29.700 0.017 0.000 0.736 442 E HN 0.496 nan 8.360 nan 0.000 0.468 443 A N 0.659 123.487 122.820 0.015 0.000 1.978 443 A HA -0.208 3.994 4.320 -0.198 0.000 0.220 443 A C 1.565 179.141 177.584 -0.014 0.000 1.170 443 A CA 1.536 53.580 52.037 0.011 0.000 0.636 443 A CB -0.054 18.950 19.000 0.006 0.000 0.810 443 A HN 0.065 nan 8.150 nan 0.000 0.448 444 K N -1.570 118.802 120.400 -0.048 0.000 2.413 444 K HA 0.218 4.419 4.320 -0.198 0.000 0.204 444 K C 1.503 178.033 176.600 -0.117 0.000 1.041 444 K CA -0.243 55.966 56.287 -0.130 0.000 1.082 444 K CB 0.559 32.891 32.500 -0.280 0.000 0.871 444 K HN 0.349 nan 8.250 nan 0.000 0.535 445 R N 0.883 121.367 120.500 -0.027 0.000 2.073 445 R HA 0.132 4.354 4.340 -0.198 0.000 0.229 445 R C 2.236 178.525 176.300 -0.018 0.000 1.120 445 R CA 0.992 57.096 56.100 0.006 0.000 0.967 445 R CB 0.077 30.388 30.300 0.018 0.000 0.862 445 R HN 0.113 nan 8.270 nan 0.000 0.436 446 M N 1.092 120.672 119.600 -0.033 0.000 2.156 446 M HA -0.033 4.329 4.480 -0.198 0.000 0.264 446 M C -1.016 175.258 176.300 -0.042 0.000 1.067 446 M CA 1.231 56.504 55.300 -0.046 0.000 1.131 446 M CB -0.696 31.855 32.600 -0.081 0.000 1.368 446 M HN -0.071 nan 8.290 nan 0.000 0.416 447 P HA -0.138 nan 4.420 nan 0.000 0.217 447 P C 1.847 179.138 177.300 -0.014 0.000 1.150 447 P CA 1.358 64.441 63.100 -0.028 0.000 0.832 447 P CB -0.499 31.185 31.700 -0.026 0.000 0.787 448 c N 0.351 118.934 118.600 -0.028 0.000 2.455 448 c HA -0.038 4.413 4.570 -0.198 0.000 0.281 448 c C 3.040 177.150 174.090 0.033 0.000 1.237 448 c CA 1.960 58.286 56.329 -0.005 0.000 1.726 448 c CB -1.556 40.947 42.510 -0.013 0.000 2.068 448 c HN 0.269 nan 8.230 nan 0.000 0.466 449 A N -0.020 122.806 122.820 0.009 0.000 1.841 449 A HA -0.261 3.940 4.320 -0.198 0.000 0.216 449 A C 2.090 179.710 177.584 0.059 0.000 1.199 449 A CA 2.283 54.333 52.037 0.023 0.000 0.621 449 A CB -1.277 17.719 19.000 -0.006 0.000 0.835 449 A HN 0.798 nan 8.150 nan 0.000 0.445 450 E N -0.471 119.742 120.200 0.021 0.000 2.118 450 E HA -0.213 4.018 4.350 -0.198 0.000 0.195 450 E C 1.305 177.916 176.600 0.020 0.000 0.992 450 E CA 1.510 57.917 56.400 0.011 0.000 0.804 450 E CB -0.083 29.602 29.700 -0.025 0.000 0.741 450 E HN 0.568 nan 8.360 nan 0.000 0.458 451 D N -0.824 119.598 120.400 0.036 0.000 2.194 451 D HA -0.138 4.384 4.640 -0.198 0.000 0.204 451 D C 1.462 177.787 176.300 0.040 0.000 0.964 451 D CA 0.672 54.692 54.000 0.033 0.000 0.846 451 D CB -0.223 40.607 40.800 0.051 0.000 0.962 451 D HN 0.294 nan 8.370 nan 0.000 0.490 452 Y N 1.376 121.653 120.300 -0.039 0.000 2.242 452 Y HA -0.066 4.406 4.550 -0.129 0.000 0.291 452 Y C 2.186 178.051 175.900 -0.058 0.000 1.137 452 Y CA 1.011 59.084 58.100 -0.046 0.000 1.181 452 Y CB -0.188 38.247 38.460 -0.040 0.000 0.989 452 Y HN -0.122 nan 8.280 nan 0.000 0.527 453 L N -1.185 120.083 121.223 0.075 0.000 2.191 453 L HA -0.211 4.010 4.340 -0.198 0.000 0.212 453 L C 2.667 179.482 176.870 -0.092 0.000 1.103 453 L CA 1.401 56.236 54.840 -0.009 0.000 0.769 453 L CB -0.596 41.478 42.059 0.026 0.000 0.908 453 L HN 0.161 nan 8.230 nan 0.000 0.438 454 S N -0.760 114.885 115.700 -0.091 0.000 2.402 454 S HA -0.101 4.250 4.470 -0.198 0.000 0.229 454 S C 1.890 176.389 174.600 -0.169 0.000 1.021 454 S CA 0.800 58.935 58.200 -0.107 0.000 0.974 454 S CB 0.069 63.211 63.200 -0.097 0.000 0.800 454 S HN 0.186 nan 8.310 nan 0.000 0.484 455 V N 1.047 120.809 119.914 -0.252 0.000 2.302 455 V HA -0.067 3.934 4.120 -0.198 0.000 0.243 455 V C 2.386 178.297 176.094 -0.306 0.000 1.036 455 V CA 1.554 63.665 62.300 -0.315 0.000 1.020 455 V CB -0.552 30.996 31.823 -0.458 0.000 0.657 455 V HN 0.374 nan 8.190 nan 0.000 0.453 456 V N 0.072 119.771 119.914 -0.358 0.000 2.261 456 V HA -0.269 3.733 4.120 -0.198 0.000 0.246 456 V C 2.323 178.282 176.094 -0.224 0.000 1.047 456 V CA 1.982 64.116 62.300 -0.275 0.000 1.015 456 V CB -0.659 31.024 31.823 -0.233 0.000 0.642 456 V HN 0.439 nan 8.190 nan 0.000 0.446 457 L N 0.480 121.579 121.223 -0.207 0.000 2.265 457 L HA -0.185 4.036 4.340 -0.198 0.000 0.215 457 L C 2.352 179.154 176.870 -0.114 0.000 1.117 457 L CA 1.728 56.448 54.840 -0.201 0.000 0.782 457 L CB -0.737 41.241 42.059 -0.134 0.000 0.914 457 L HN 0.475 nan 8.230 nan 0.000 0.441 458 N N 0.018 118.653 118.700 -0.109 0.000 2.216 458 N HA -0.219 4.402 4.740 -0.198 0.000 0.183 458 N C 1.889 177.348 175.510 -0.085 0.000 1.017 458 N CA 0.970 53.975 53.050 -0.073 0.000 0.861 458 N CB 0.027 38.453 38.487 -0.103 0.000 0.986 458 N HN 0.266 nan 8.380 nan 0.000 0.428 459 Q N -0.102 119.627 119.800 -0.118 0.000 2.045 459 Q HA -0.212 4.009 4.340 -0.198 0.000 0.206 459 Q C 2.020 177.975 176.000 -0.074 0.000 0.991 459 Q CA 1.808 57.549 55.803 -0.103 0.000 0.851 459 Q CB -0.325 28.342 28.738 -0.118 0.000 0.911 459 Q HN 0.461 nan 8.270 nan 0.000 0.418 460 L N 0.625 121.790 121.223 -0.097 0.000 2.012 460 L HA -0.212 4.009 4.340 -0.198 0.000 0.210 460 L C 2.368 179.248 176.870 0.016 0.000 1.073 460 L CA 2.048 56.846 54.840 -0.070 0.000 0.748 460 L CB -1.010 40.947 42.059 -0.169 0.000 0.891 460 L HN 0.435 nan 8.230 nan 0.000 0.431 461 c N -1.089 117.525 118.600 0.024 0.000 2.413 461 c HA -0.148 4.303 4.570 -0.198 0.000 0.276 461 c C 2.825 176.960 174.090 0.076 0.000 1.248 461 c CA 1.096 57.478 56.329 0.088 0.000 1.742 461 c CB -1.184 41.384 42.510 0.097 0.000 2.017 461 c HN 0.669 nan 8.230 nan 0.000 0.481 462 V N -0.710 119.211 119.914 0.011 0.000 2.379 462 V HA -0.093 3.908 4.120 -0.198 0.000 0.245 462 V C 2.147 178.242 176.094 0.002 0.000 1.044 462 V CA 1.670 63.959 62.300 -0.018 0.000 1.036 462 V CB -1.059 30.715 31.823 -0.081 0.000 0.664 462 V HN 0.540 nan 8.190 nan 0.000 0.453 463 L N 0.154 121.383 121.223 0.009 0.000 2.079 463 L HA -0.184 4.037 4.340 -0.198 0.000 0.210 463 L C 2.790 179.679 176.870 0.033 0.000 1.081 463 L CA 2.465 57.311 54.840 0.011 0.000 0.752 463 L CB -0.873 41.189 42.059 0.005 0.000 0.896 463 L HN 0.492 nan 8.230 nan 0.000 0.433 464 H N -0.027 119.034 119.070 -0.014 0.000 2.395 464 H HA -0.184 4.251 4.556 -0.202 0.000 0.299 464 H C 2.207 177.533 175.328 -0.004 0.000 1.070 464 H CA 1.612 57.659 56.048 -0.001 0.000 1.356 464 H CB 0.214 29.990 29.762 0.025 0.000 1.401 464 H HN 0.285 nan 8.280 nan 0.000 0.524 465 E N 0.228 120.451 120.200 0.038 0.000 2.267 465 E HA -0.226 4.005 4.350 -0.198 0.000 0.197 465 E C 2.336 178.883 176.600 -0.087 0.000 0.998 465 E CA 1.442 57.831 56.400 -0.019 0.000 0.830 465 E CB -0.036 29.666 29.700 0.003 0.000 0.751 465 E HN 0.605 nan 8.360 nan 0.000 0.491 466 K N 0.269 120.617 120.400 -0.086 0.000 1.985 466 K HA -0.087 4.114 4.320 -0.198 0.000 0.210 466 K C 1.500 178.032 176.600 -0.114 0.000 1.047 466 K CA 1.793 58.031 56.287 -0.082 0.000 0.932 466 K CB -1.195 31.270 32.500 -0.058 0.000 0.716 466 K HN 0.321 nan 8.250 nan 0.000 0.439 467 T N -0.056 114.401 114.554 -0.163 0.000 3.150 467 T HA 0.408 4.639 4.350 -0.198 0.000 0.383 467 T C -3.062 171.443 174.700 -0.325 0.000 1.313 467 T CA -1.831 60.165 62.100 -0.174 0.000 1.235 467 T CB 1.413 70.214 68.868 -0.112 0.000 1.088 467 T HN 0.239 nan 8.240 nan 0.000 0.556 468 P HA 0.176 nan 4.420 nan 0.000 0.267 468 P C 0.810 177.989 177.300 -0.201 0.000 1.209 468 P CA -0.322 62.473 63.100 -0.508 0.000 0.763 468 P CB 1.442 33.031 31.700 -0.186 0.000 0.816 469 V N 0.047 119.929 119.914 -0.054 0.000 3.426 469 V HA 0.268 4.270 4.120 -0.198 0.000 0.271 469 V C 0.615 176.808 176.094 0.165 0.000 1.530 469 V CA 0.248 62.594 62.300 0.076 0.000 1.021 469 V CB 0.275 32.134 31.823 0.060 0.000 0.824 469 V HN 0.526 nan 8.190 nan 0.000 0.432 470 S N 1.092 116.985 115.700 0.321 0.000 2.596 470 S HA 0.433 4.784 4.470 -0.198 0.000 0.318 470 S C 0.130 174.796 174.600 0.110 0.000 1.097 470 S CA -0.221 58.074 58.200 0.157 0.000 1.080 470 S CB 1.451 64.698 63.200 0.078 0.000 0.991 470 S HN 0.430 nan 8.310 nan 0.000 0.471 471 D N 3.376 123.813 120.400 0.062 0.000 2.312 471 D HA 0.033 4.554 4.640 -0.198 0.000 0.211 471 D C 1.679 177.966 176.300 -0.023 0.000 0.964 471 D CA 0.678 54.697 54.000 0.032 0.000 0.877 471 D CB 0.139 40.951 40.800 0.020 0.000 0.924 471 D HN 0.493 nan 8.370 nan 0.000 0.515 472 R N 0.022 120.496 120.500 -0.044 0.000 2.200 472 R HA 0.081 4.303 4.340 -0.198 0.000 0.208 472 R C 1.752 177.958 176.300 -0.157 0.000 1.033 472 R CA 0.211 56.255 56.100 -0.094 0.000 1.000 472 R CB 0.108 30.364 30.300 -0.075 0.000 0.906 472 R HN 0.108 nan 8.270 nan 0.000 0.462 473 V N 0.144 119.968 119.914 -0.150 0.000 2.379 473 V HA -0.166 3.835 4.120 -0.198 0.000 0.243 473 V C 1.967 177.952 176.094 -0.181 0.000 1.035 473 V CA 1.938 64.114 62.300 -0.206 0.000 1.035 473 V CB -0.209 31.239 31.823 -0.626 0.000 0.673 473 V HN 0.324 nan 8.190 nan 0.000 0.457 474 T N -0.102 114.389 114.554 -0.105 0.000 2.635 474 T HA -0.301 3.930 4.350 -0.198 0.000 0.267 474 T C 1.952 176.631 174.700 -0.034 0.000 1.040 474 T CA 2.051 64.159 62.100 0.013 0.000 1.156 474 T CB -0.262 68.650 68.868 0.074 0.000 0.863 474 T HN 0.361 nan 8.240 nan 0.000 0.430 475 K N 0.185 120.542 120.400 -0.071 0.000 2.020 475 K HA -0.140 4.061 4.320 -0.198 0.000 0.212 475 K C 2.432 178.948 176.600 -0.139 0.000 1.050 475 K CA 1.664 57.898 56.287 -0.088 0.000 0.929 475 K CB -0.520 31.920 32.500 -0.099 0.000 0.714 475 K HN 0.330 nan 8.250 nan 0.000 0.443 476 c N 0.222 118.656 118.600 -0.278 0.000 2.437 476 c HA -0.058 4.393 4.570 -0.198 0.000 0.283 476 c C 2.658 176.615 174.090 -0.222 0.000 1.424 476 c CA 0.207 56.281 56.329 -0.425 0.000 1.782 476 c CB -1.105 40.752 42.510 -1.089 0.000 1.833 476 c HN 0.626 nan 8.230 nan 0.000 0.532 477 c N -0.112 118.447 118.600 -0.070 0.000 2.527 477 c HA 0.016 4.467 4.570 -0.198 0.000 0.280 477 c C 2.748 176.932 174.090 0.158 0.000 1.353 477 c CA 1.420 57.804 56.329 0.092 0.000 1.749 477 c CB -1.177 41.403 42.510 0.117 0.000 2.088 477 c HN 0.803 nan 8.230 nan 0.000 0.508 478 T N -2.010 112.602 114.554 0.097 0.000 3.040 478 T HA 0.029 4.260 4.350 -0.198 0.000 0.252 478 T C 1.480 176.280 174.700 0.166 0.000 1.064 478 T CA 0.640 62.814 62.100 0.122 0.000 1.110 478 T CB -0.305 68.584 68.868 0.035 0.000 0.921 478 T HN 0.481 nan 8.240 nan 0.000 0.480 479 E N 1.413 121.661 120.200 0.080 0.000 2.110 479 E HA -0.006 4.225 4.350 -0.198 0.000 0.193 479 E C 0.474 177.114 176.600 0.067 0.000 0.988 479 E CA 0.946 57.379 56.400 0.056 0.000 0.804 479 E CB 0.131 29.825 29.700 -0.010 0.000 0.745 479 E HN 0.529 nan 8.360 nan 0.000 0.458 480 S N -0.802 114.919 115.700 0.035 0.000 2.590 480 S HA 0.079 4.430 4.470 -0.198 0.000 0.286 480 S C 0.044 174.493 174.600 -0.253 0.000 1.147 480 S CA -0.735 57.410 58.200 -0.092 0.000 0.963 480 S CB 1.045 64.193 63.200 -0.086 0.000 1.124 480 S HN 0.084 nan 8.310 nan 0.000 0.458 481 L N 5.692 126.496 121.223 -0.697 0.000 1.970 481 L HA 0.091 4.313 4.340 -0.198 0.000 0.212 481 L C 2.228 178.885 176.870 -0.356 0.000 1.071 481 L CA 2.342 56.706 54.840 -0.793 0.000 0.751 481 L CB -0.866 40.348 42.059 -1.408 0.000 0.889 481 L HN 0.724 nan 8.230 nan 0.000 0.432 482 V N -0.102 119.630 119.914 -0.302 0.000 2.720 482 V HA -0.270 3.731 4.120 -0.198 0.000 0.256 482 V C 1.748 177.768 176.094 -0.124 0.000 1.082 482 V CA 2.090 64.284 62.300 -0.177 0.000 1.101 482 V CB -1.034 30.700 31.823 -0.149 0.000 0.693 482 V HN 0.572 nan 8.190 nan 0.000 0.479 483 N N -1.063 117.566 118.700 -0.119 0.000 2.236 483 N HA 0.111 4.732 4.740 -0.198 0.000 0.196 483 N C 1.720 177.201 175.510 -0.049 0.000 1.114 483 N CA -0.290 52.713 53.050 -0.079 0.000 0.859 483 N CB 0.163 38.603 38.487 -0.079 0.000 0.982 483 N HN 0.370 nan 8.380 nan 0.000 0.493 484 R N 1.030 121.509 120.500 -0.034 0.000 2.112 484 R HA -0.171 4.050 4.340 -0.198 0.000 0.242 484 R C 2.124 178.519 176.300 0.158 0.000 1.137 484 R CA 1.319 57.449 56.100 0.050 0.000 0.944 484 R CB -0.226 30.140 30.300 0.111 0.000 0.857 484 R HN 0.183 nan 8.270 nan 0.000 0.435 485 R N 0.593 121.167 120.500 0.123 0.000 2.083 485 R HA -0.094 4.127 4.340 -0.198 0.000 0.237 485 R C -0.799 175.572 176.300 0.118 0.000 1.137 485 R CA 1.720 57.908 56.100 0.148 0.000 0.951 485 R CB -1.359 28.981 30.300 0.065 0.000 0.851 485 R HN 0.164 nan 8.270 nan 0.000 0.434 486 P HA -0.132 nan 4.420 nan 0.000 0.215 486 P C 1.692 178.991 177.300 -0.002 0.000 1.157 486 P CA 1.157 64.263 63.100 0.011 0.000 0.868 486 P CB -0.274 31.413 31.700 -0.022 0.000 0.788 487 c N -1.852 116.722 118.600 -0.042 0.000 2.413 487 c HA -0.178 4.273 4.570 -0.198 0.000 0.276 487 c C 2.422 176.418 174.090 -0.158 0.000 1.236 487 c CA 0.855 57.102 56.329 -0.138 0.000 1.735 487 c CB -2.160 40.208 42.510 -0.238 0.000 2.031 487 c HN 0.071 nan 8.230 nan 0.000 0.474 488 F N 1.248 121.185 119.950 -0.023 0.000 2.186 488 F HA -0.055 4.354 4.527 -0.196 0.000 0.299 488 F C 2.768 178.533 175.800 -0.059 0.000 1.090 488 F CA 1.856 59.842 58.000 -0.025 0.000 1.307 488 F CB -0.704 38.333 39.000 0.061 0.000 1.019 488 F HN 0.137 nan 8.300 nan 0.000 0.489 489 S N -0.443 115.345 115.700 0.146 0.000 2.423 489 S HA -0.105 4.246 4.470 -0.198 0.000 0.231 489 S C 2.246 176.849 174.600 0.005 0.000 1.014 489 S CA 0.856 59.095 58.200 0.065 0.000 0.965 489 S CB -0.447 62.788 63.200 0.059 0.000 0.785 489 S HN 0.352 nan 8.310 nan 0.000 0.495 490 A N 0.804 123.616 122.820 -0.014 0.000 2.016 490 A HA 0.255 4.457 4.320 -0.198 0.000 0.217 490 A C 0.823 178.376 177.584 -0.052 0.000 1.162 490 A CA 0.286 52.302 52.037 -0.036 0.000 0.662 490 A CB -0.305 18.667 19.000 -0.048 0.000 0.812 490 A HN 0.407 nan 8.150 nan 0.000 0.450 491 L N 0.184 121.368 121.223 -0.065 0.000 2.453 491 L HA 0.145 4.366 4.340 -0.198 0.000 0.272 491 L C 1.243 178.059 176.870 -0.090 0.000 1.182 491 L CA -0.290 54.502 54.840 -0.081 0.000 0.858 491 L CB 0.746 42.752 42.059 -0.087 0.000 1.120 491 L HN 0.417 nan 8.230 nan 0.000 0.474 492 E N 2.705 122.859 120.200 -0.077 0.000 2.587 492 E HA 0.240 4.471 4.350 -0.198 0.000 0.260 492 E C -0.722 175.830 176.600 -0.079 0.000 0.928 492 E CA 0.106 56.462 56.400 -0.072 0.000 1.084 492 E CB 0.663 30.335 29.700 -0.046 0.000 2.100 492 E HN 0.301 nan 8.360 nan 0.000 0.551 493 V N 0.256 120.138 119.914 -0.053 0.000 2.841 493 V HA 0.485 4.486 4.120 -0.198 0.000 0.310 493 V C -1.318 174.762 176.094 -0.022 0.000 1.090 493 V CA -0.946 61.328 62.300 -0.044 0.000 0.930 493 V CB 1.831 33.640 31.823 -0.022 0.000 1.014 493 V HN 0.325 nan 8.190 nan 0.000 0.425 494 D N 3.433 123.823 120.400 -0.016 0.000 2.342 494 D HA 0.192 4.713 4.640 -0.198 0.000 0.260 494 D C 1.035 177.374 176.300 0.065 0.000 1.278 494 D CA 0.348 54.358 54.000 0.017 0.000 0.910 494 D CB 1.345 42.153 40.800 0.015 0.000 1.079 494 D HN 0.786 nan 8.370 nan 0.000 0.496 495 E N 1.151 121.377 120.200 0.043 0.000 2.418 495 E HA -0.093 4.138 4.350 -0.198 0.000 0.197 495 E C 1.550 178.182 176.600 0.053 0.000 1.026 495 E CA 0.761 57.188 56.400 0.044 0.000 0.862 495 E CB 0.227 29.939 29.700 0.021 0.000 0.799 495 E HN 0.548 nan 8.360 nan 0.000 0.518 496 T N -1.964 112.630 114.554 0.067 0.000 3.065 496 T HA -0.068 4.163 4.350 -0.198 0.000 0.252 496 T C 0.523 175.281 174.700 0.096 0.000 1.099 496 T CA -0.386 61.750 62.100 0.061 0.000 1.063 496 T CB -0.273 68.624 68.868 0.049 0.000 0.948 496 T HN 0.070 nan 8.240 nan 0.000 0.506 497 Y N 2.738 123.036 120.300 -0.002 0.000 2.620 497 Y HA 0.397 4.829 4.550 -0.196 0.000 0.330 497 Y C -0.066 175.835 175.900 0.003 0.000 1.186 497 Y CA -1.419 56.681 58.100 -0.000 0.000 1.467 497 Y CB 0.586 39.044 38.460 -0.003 0.000 1.262 497 Y HN 0.069 nan 8.280 nan 0.000 0.550 498 V N 9.711 129.265 119.914 -0.601 0.000 2.350 498 V HA 0.464 4.465 4.120 -0.198 0.000 0.276 498 V C -2.400 173.133 176.094 -0.935 0.000 1.028 498 V CA -2.524 59.452 62.300 -0.541 0.000 0.860 498 V CB 0.712 32.377 31.823 -0.264 0.000 0.990 498 V HN 0.795 nan 8.190 nan 0.000 0.453 499 P HA 0.016 nan 4.420 nan 0.000 0.263 499 P C -0.562 176.619 177.300 -0.198 0.000 1.175 499 P CA 0.364 63.230 63.100 -0.390 0.000 0.761 499 P CB 0.284 31.918 31.700 -0.110 0.000 0.794 500 K N 2.719 123.086 120.400 -0.054 0.000 2.319 500 K HA 0.074 4.276 4.320 -0.198 0.000 0.265 500 K C -0.088 176.682 176.600 0.283 0.000 1.000 500 K CA -0.063 56.258 56.287 0.057 0.000 0.943 500 K CB 0.392 32.818 32.500 -0.124 0.000 0.950 500 K HN 0.425 nan 8.250 nan 0.000 0.485 501 E N 3.291 123.638 120.200 0.246 0.000 2.113 501 E HA 0.068 4.299 4.350 -0.198 0.000 0.273 501 E C -0.690 176.059 176.600 0.249 0.000 0.924 501 E CA -0.655 55.877 56.400 0.221 0.000 0.764 501 E CB 0.639 30.407 29.700 0.112 0.000 1.104 501 E HN 0.415 nan 8.360 nan 0.000 0.406 502 F N 3.738 123.612 119.950 -0.126 0.000 2.516 502 F HA -0.200 4.209 4.527 -0.197 0.000 0.350 502 F C 0.157 175.915 175.800 -0.071 0.000 1.016 502 F CA 0.980 58.764 58.000 -0.359 0.000 1.253 502 F CB 0.357 39.049 39.000 -0.513 0.000 0.930 502 F HN 0.365 nan 8.300 nan 0.000 0.608 503 N N 3.957 122.157 118.700 -0.834 0.000 2.480 503 N HA 0.390 5.011 4.740 -0.198 0.000 0.289 503 N C 0.325 175.378 175.510 -0.762 0.000 1.073 503 N CA 0.247 53.038 53.050 -0.432 0.000 0.885 503 N CB 1.882 40.291 38.487 -0.130 0.000 1.421 503 N HN 0.796 nan 8.380 nan 0.000 0.503 504 A N 3.405 126.093 122.820 -0.220 0.000 1.884 504 A HA -0.288 3.913 4.320 -0.198 0.000 0.219 504 A C 1.974 179.554 177.584 -0.006 0.000 1.197 504 A CA 2.862 54.940 52.037 0.068 0.000 0.637 504 A CB -1.134 17.983 19.000 0.195 0.000 0.827 504 A HN 0.799 nan 8.150 nan 0.000 0.450 505 E N -1.147 119.043 120.200 -0.016 0.000 2.130 505 E HA -0.210 4.021 4.350 -0.198 0.000 0.196 505 E C 1.970 178.556 176.600 -0.024 0.000 0.998 505 E CA 2.164 58.563 56.400 -0.002 0.000 0.806 505 E CB -1.795 27.903 29.700 -0.003 0.000 0.738 505 E HN 0.698 nan 8.360 nan 0.000 0.459 506 T N -0.403 114.118 114.554 -0.054 0.000 2.833 506 T HA 0.006 4.238 4.350 -0.198 0.000 0.269 506 T C 0.809 175.348 174.700 -0.268 0.000 1.054 506 T CA 1.184 63.212 62.100 -0.121 0.000 1.135 506 T CB -0.243 68.590 68.868 -0.057 0.000 0.869 506 T HN 0.459 nan 8.240 nan 0.000 0.466 507 F N 1.173 121.013 119.950 -0.183 0.000 2.668 507 F HA 0.307 4.716 4.527 -0.197 0.000 0.301 507 F C 0.634 176.412 175.800 -0.036 0.000 1.106 507 F CA -0.628 57.333 58.000 -0.065 0.000 1.289 507 F CB -0.154 38.866 39.000 0.033 0.000 1.006 507 F HN -0.170 nan 8.300 nan 0.000 0.535 508 T N 1.228 115.837 114.554 0.091 0.000 2.733 508 T HA 0.483 4.715 4.350 -0.198 0.000 0.294 508 T C -0.147 174.598 174.700 0.076 0.000 0.956 508 T CA -0.135 62.010 62.100 0.075 0.000 0.987 508 T CB -0.181 68.740 68.868 0.088 0.000 0.920 508 T HN 0.092 nan 8.240 nan 0.000 0.470 509 F N 0.642 120.667 119.950 0.126 0.000 2.410 509 F HA 0.697 5.105 4.527 -0.198 0.000 0.349 509 F C 0.602 176.565 175.800 0.273 0.000 1.117 509 F CA -1.669 56.469 58.000 0.230 0.000 1.104 509 F CB -0.804 38.427 39.000 0.385 0.000 1.122 509 F HN 1.065 nan 8.300 nan 0.000 0.483 510 H N 0.794 119.957 119.070 0.155 0.000 2.508 510 H HA 0.745 5.182 4.556 -0.198 0.000 0.344 510 H C 1.254 176.627 175.328 0.076 0.000 1.192 510 H CA -0.176 55.939 56.048 0.112 0.000 1.290 510 H CB 1.437 31.243 29.762 0.072 0.000 1.571 510 H HN 1.594 nan 8.280 nan 0.000 0.555 511 A N 0.409 123.255 122.820 0.043 0.000 2.067 511 A HA -0.106 4.096 4.320 -0.198 0.000 0.219 511 A C 1.862 179.454 177.584 0.014 0.000 1.158 511 A CA 1.543 53.586 52.037 0.010 0.000 0.661 511 A CB -0.563 18.435 19.000 -0.003 0.000 0.801 511 A HN 0.920 nan 8.150 nan 0.000 0.452 512 D N 0.042 120.455 120.400 0.023 0.000 2.411 512 D HA -0.139 4.382 4.640 -0.198 0.000 0.226 512 D C 1.267 177.578 176.300 0.018 0.000 0.988 512 D CA 0.712 54.723 54.000 0.018 0.000 0.938 512 D CB -0.398 40.414 40.800 0.021 0.000 0.883 512 D HN 0.543 nan 8.370 nan 0.000 0.525 513 I N -0.223 120.361 120.570 0.022 0.000 3.228 513 I HA -0.080 3.971 4.170 -0.198 0.000 0.279 513 I C 1.251 177.374 176.117 0.011 0.000 1.221 513 I CA 0.171 61.484 61.300 0.023 0.000 1.458 513 I CB 0.210 38.235 38.000 0.042 0.000 1.105 513 I HN -0.014 nan 8.210 nan 0.000 0.445 514 c N 0.088 118.689 118.600 0.001 0.000 2.539 514 c HA 0.019 4.470 4.570 -0.198 0.000 0.271 514 c C 2.350 176.436 174.090 -0.006 0.000 1.412 514 c CA 0.867 57.191 56.329 -0.009 0.000 1.729 514 c CB -1.885 40.612 42.510 -0.021 0.000 1.739 514 c HN 0.559 nan 8.230 nan 0.000 0.570 515 T N -0.428 114.126 114.554 -0.000 0.000 2.990 515 T HA 0.285 4.516 4.350 -0.198 0.000 0.250 515 T C 0.568 175.270 174.700 0.002 0.000 1.041 515 T CA 0.036 62.137 62.100 0.001 0.000 1.010 515 T CB -0.020 68.850 68.868 0.004 0.000 1.003 515 T HN 0.326 nan 8.240 nan 0.000 0.499 516 L N 3.009 124.234 121.223 0.004 0.000 2.476 516 L HA 0.341 4.562 4.340 -0.198 0.000 0.264 516 L C 1.115 177.985 176.870 0.000 0.000 1.224 516 L CA -0.717 54.126 54.840 0.004 0.000 0.821 516 L CB 0.460 42.523 42.059 0.007 0.000 1.101 516 L HN 0.279 nan 8.230 nan 0.000 0.488 517 S N -0.341 115.359 115.700 0.001 0.000 2.589 517 S HA 0.009 4.360 4.470 -0.198 0.000 0.265 517 S C 0.988 175.581 174.600 -0.011 0.000 1.342 517 S CA -0.192 58.005 58.200 -0.004 0.000 1.005 517 S CB 0.626 63.826 63.200 0.000 0.000 0.909 517 S HN 0.776 nan 8.310 nan 0.000 0.555 518 E N 0.924 121.112 120.200 -0.020 0.000 2.130 518 E HA -0.225 4.006 4.350 -0.198 0.000 0.196 518 E C 2.116 178.690 176.600 -0.043 0.000 0.998 518 E CA 1.525 57.903 56.400 -0.038 0.000 0.806 518 E CB -0.904 28.768 29.700 -0.046 0.000 0.738 518 E HN 0.764 nan 8.360 nan 0.000 0.459 519 K N 1.218 121.603 120.400 -0.024 0.000 1.965 519 K HA -0.140 4.062 4.320 -0.198 0.000 0.214 519 K C 2.421 179.021 176.600 0.001 0.000 1.046 519 K CA 2.220 58.501 56.287 -0.011 0.000 0.944 519 K CB -1.953 30.551 32.500 0.006 0.000 0.726 519 K HN 0.456 nan 8.250 nan 0.000 0.441 520 E N 0.857 121.061 120.200 0.006 0.000 2.394 520 E HA -0.235 3.996 4.350 -0.198 0.000 0.202 520 E C 2.063 178.671 176.600 0.013 0.000 1.029 520 E CA 1.835 58.242 56.400 0.012 0.000 0.855 520 E CB -0.620 29.086 29.700 0.010 0.000 0.770 520 E HN 0.642 nan 8.360 nan 0.000 0.527 521 R N -1.281 119.221 120.500 0.003 0.000 2.052 521 R HA -0.041 4.180 4.340 -0.198 0.000 0.226 521 R C 3.094 179.405 176.300 0.017 0.000 1.145 521 R CA 1.826 57.929 56.100 0.005 0.000 0.952 521 R CB -0.319 29.972 30.300 -0.015 0.000 0.847 521 R HN 0.478 nan 8.270 nan 0.000 0.431 522 Q N 0.709 120.505 119.800 -0.006 0.000 2.170 522 Q HA -0.074 4.148 4.340 -0.198 0.000 0.203 522 Q C 1.958 178.038 176.000 0.133 0.000 0.976 522 Q CA 1.801 57.629 55.803 0.042 0.000 0.858 522 Q CB -0.747 27.930 28.738 -0.100 0.000 0.907 522 Q HN 0.547 nan 8.270 nan 0.000 0.433 523 I N 0.414 121.032 120.570 0.080 0.000 2.493 523 I HA -0.173 3.879 4.170 -0.198 0.000 0.254 523 I C 3.091 179.236 176.117 0.046 0.000 1.160 523 I CA 1.443 62.784 61.300 0.067 0.000 1.445 523 I CB -0.224 37.801 38.000 0.041 0.000 1.086 523 I HN 0.508 nan 8.210 nan 0.000 0.433 524 K N 1.320 121.745 120.400 0.042 0.000 2.031 524 K HA -0.125 4.076 4.320 -0.198 0.000 0.205 524 K C 2.032 178.652 176.600 0.033 0.000 1.049 524 K CA 1.266 57.569 56.287 0.027 0.000 0.939 524 K CB -0.679 31.841 32.500 0.033 0.000 0.717 524 K HN 0.297 nan 8.250 nan 0.000 0.438 525 K N 0.179 120.621 120.400 0.071 0.000 2.009 525 K HA -0.194 4.007 4.320 -0.198 0.000 0.210 525 K C 2.673 179.314 176.600 0.068 0.000 1.049 525 K CA 1.777 58.117 56.287 0.088 0.000 0.929 525 K CB -0.144 32.447 32.500 0.152 0.000 0.714 525 K HN 0.500 nan 8.250 nan 0.000 0.440 526 Q N 0.050 119.903 119.800 0.088 0.000 2.152 526 Q HA -0.161 4.060 4.340 -0.198 0.000 0.206 526 Q C 1.934 177.936 176.000 0.003 0.000 0.985 526 Q CA 2.022 57.852 55.803 0.045 0.000 0.863 526 Q CB -0.105 28.670 28.738 0.061 0.000 0.904 526 Q HN 0.303 nan 8.270 nan 0.000 0.422 527 T N -0.087 114.461 114.554 -0.010 0.000 2.962 527 T HA -0.055 4.176 4.350 -0.198 0.000 0.270 527 T C 1.605 176.247 174.700 -0.098 0.000 1.088 527 T CA 0.908 62.977 62.100 -0.051 0.000 1.127 527 T CB -0.070 68.763 68.868 -0.059 0.000 0.883 527 T HN 0.384 nan 8.240 nan 0.000 0.493 528 A N 1.329 124.099 122.820 -0.082 0.000 1.878 528 A HA 0.141 4.342 4.320 -0.198 0.000 0.213 528 A C 2.124 179.700 177.584 -0.014 0.000 1.192 528 A CA 0.689 52.651 52.037 -0.125 0.000 0.619 528 A CB -0.785 18.180 19.000 -0.059 0.000 0.837 528 A HN 0.380 nan 8.150 nan 0.000 0.446 529 L N 0.356 121.593 121.223 0.024 0.000 2.081 529 L HA -0.159 4.062 4.340 -0.198 0.000 0.212 529 L C 2.328 179.225 176.870 0.046 0.000 1.080 529 L CA 1.954 56.823 54.840 0.048 0.000 0.754 529 L CB -0.596 41.475 42.059 0.021 0.000 0.893 529 L HN 0.171 nan 8.230 nan 0.000 0.433 530 V N -0.652 119.268 119.914 0.009 0.000 2.270 530 V HA -0.207 3.794 4.120 -0.198 0.000 0.245 530 V C 2.636 178.745 176.094 0.023 0.000 1.043 530 V CA 1.715 64.015 62.300 -0.001 0.000 1.014 530 V CB -0.650 31.156 31.823 -0.029 0.000 0.645 530 V HN 0.408 nan 8.190 nan 0.000 0.447 531 E N 0.253 120.459 120.200 0.011 0.000 2.085 531 E HA -0.216 4.015 4.350 -0.198 0.000 0.194 531 E C 2.365 179.217 176.600 0.420 0.000 0.994 531 E CA 1.755 58.213 56.400 0.097 0.000 0.801 531 E CB -0.763 28.821 29.700 -0.193 0.000 0.743 531 E HN 0.564 nan 8.360 nan 0.000 0.453 532 L N 0.764 122.232 121.223 0.409 0.000 1.944 532 L HA -0.197 4.024 4.340 -0.198 0.000 0.218 532 L C 2.953 179.996 176.870 0.289 0.000 1.075 532 L CA 2.550 57.657 54.840 0.445 0.000 0.767 532 L CB -1.833 40.398 42.059 0.287 0.000 0.890 532 L HN 0.120 nan 8.230 nan 0.000 0.434 533 V N -0.348 119.665 119.914 0.165 0.000 2.527 533 V HA -0.363 3.638 4.120 -0.198 0.000 0.255 533 V C 2.717 178.872 176.094 0.102 0.000 1.081 533 V CA 2.338 64.702 62.300 0.107 0.000 1.092 533 V CB -1.187 30.665 31.823 0.048 0.000 0.673 533 V HN 0.747 nan 8.190 nan 0.000 0.470 534 K N -1.306 119.134 120.400 0.067 0.000 2.155 534 K HA -0.088 4.113 4.320 -0.198 0.000 0.203 534 K C 2.125 178.798 176.600 0.123 0.000 1.052 534 K CA 1.002 57.318 56.287 0.048 0.000 0.948 534 K CB -0.212 32.243 32.500 -0.074 0.000 0.728 534 K HN 0.584 nan 8.250 nan 0.000 0.448 535 H N 0.317 119.523 119.070 0.226 0.000 2.372 535 H HA -0.010 4.428 4.556 -0.197 0.000 0.301 535 H C 1.134 176.537 175.328 0.125 0.000 1.065 535 H CA 1.293 57.440 56.048 0.165 0.000 1.364 535 H CB 0.256 30.100 29.762 0.137 0.000 1.406 535 H HN 0.045 nan 8.280 nan 0.000 0.521 536 K N 1.491 122.030 120.400 0.230 0.000 2.682 536 K HA 0.294 4.495 4.320 -0.198 0.000 0.189 536 K C -2.367 174.310 176.600 0.128 0.000 1.062 536 K CA -1.536 54.840 56.287 0.148 0.000 0.997 536 K CB 0.523 33.091 32.500 0.113 0.000 1.405 536 K HN 0.048 nan 8.250 nan 0.000 0.588 537 P HA -0.256 nan 4.420 nan 0.000 0.215 537 P C 2.024 179.373 177.300 0.082 0.000 1.163 537 P CA 2.524 65.705 63.100 0.135 0.000 0.894 537 P CB 0.275 32.111 31.700 0.226 0.000 0.791 538 K N -0.427 120.017 120.400 0.075 0.000 2.360 538 K HA 0.121 4.323 4.320 -0.198 0.000 0.201 538 K C 1.310 177.933 176.600 0.039 0.000 1.046 538 K CA 1.207 57.523 56.287 0.048 0.000 0.945 538 K CB -1.601 30.922 32.500 0.039 0.000 0.750 538 K HN 0.378 nan 8.250 nan 0.000 0.464 539 A N 1.154 124.003 122.820 0.047 0.000 2.552 539 A HA 0.392 4.593 4.320 -0.198 0.000 0.241 539 A C 0.903 178.506 177.584 0.031 0.000 1.103 539 A CA 0.782 52.843 52.037 0.040 0.000 0.789 539 A CB -0.271 18.761 19.000 0.053 0.000 1.050 539 A HN 0.926 nan 8.150 nan 0.000 0.515 540 T N -3.427 111.142 114.554 0.025 0.000 2.942 540 T HA 0.667 4.898 4.350 -0.198 0.000 0.289 540 T C 0.814 175.525 174.700 0.018 0.000 1.044 540 T CA 0.004 62.115 62.100 0.018 0.000 1.023 540 T CB 1.516 70.393 68.868 0.015 0.000 1.123 540 T HN 1.126 nan 8.240 nan 0.000 0.512 541 K N 0.275 120.682 120.400 0.012 0.000 2.585 541 K HA -0.022 4.179 4.320 -0.198 0.000 0.194 541 K C 1.568 178.175 176.600 0.012 0.000 1.037 541 K CA 1.369 57.661 56.287 0.009 0.000 0.964 541 K CB -0.989 31.513 32.500 0.004 0.000 0.787 541 K HN 0.797 nan 8.250 nan 0.000 0.488 542 E N 0.576 120.785 120.200 0.015 0.000 2.035 542 E HA -0.166 4.066 4.350 -0.198 0.000 0.191 542 E C 2.378 178.989 176.600 0.019 0.000 0.966 542 E CA 1.029 57.438 56.400 0.016 0.000 0.823 542 E CB -0.427 29.282 29.700 0.014 0.000 0.791 542 E HN 0.842 nan 8.360 nan 0.000 0.459 543 Q N 1.513 121.325 119.800 0.021 0.000 2.045 543 Q HA -0.157 4.065 4.340 -0.198 0.000 0.206 543 Q C 2.580 178.598 176.000 0.031 0.000 0.991 543 Q CA 1.399 57.217 55.803 0.024 0.000 0.851 543 Q CB -0.907 27.845 28.738 0.023 0.000 0.911 543 Q HN 0.179 nan 8.270 nan 0.000 0.418 544 L N 1.360 122.604 121.223 0.035 0.000 2.054 544 L HA -0.346 3.875 4.340 -0.198 0.000 0.220 544 L C 3.107 180.002 176.870 0.042 0.000 1.081 544 L CA 2.636 57.502 54.840 0.043 0.000 0.780 544 L CB -1.409 40.673 42.059 0.037 0.000 0.893 544 L HN 0.470 nan 8.230 nan 0.000 0.438 545 K N 0.188 120.608 120.400 0.033 0.000 1.988 545 K HA -0.239 3.962 4.320 -0.198 0.000 0.221 545 K C 2.267 178.892 176.600 0.042 0.000 1.053 545 K CA 2.165 58.473 56.287 0.036 0.000 0.959 545 K CB -1.639 30.878 32.500 0.029 0.000 0.728 545 K HN 0.446 nan 8.250 nan 0.000 0.447 546 A N 0.385 123.227 122.820 0.036 0.000 1.909 546 A HA -0.188 4.013 4.320 -0.198 0.000 0.221 546 A C 2.640 180.250 177.584 0.044 0.000 1.223 546 A CA 2.974 55.032 52.037 0.036 0.000 0.658 546 A CB -1.072 17.945 19.000 0.028 0.000 0.831 546 A HN 0.598 nan 8.150 nan 0.000 0.462 547 V N -1.559 118.383 119.914 0.047 0.000 2.307 547 V HA -0.287 3.714 4.120 -0.198 0.000 0.245 547 V C 2.749 178.885 176.094 0.071 0.000 1.045 547 V CA 2.227 64.561 62.300 0.056 0.000 1.024 547 V CB -0.974 30.887 31.823 0.063 0.000 0.651 547 V HN 0.599 nan 8.190 nan 0.000 0.449 548 M N -0.201 119.443 119.600 0.072 0.000 2.149 548 M HA -0.200 4.161 4.480 -0.198 0.000 0.261 548 M C 2.033 178.385 176.300 0.086 0.000 1.064 548 M CA 2.023 57.373 55.300 0.082 0.000 1.102 548 M CB -1.280 31.363 32.600 0.072 0.000 1.369 548 M HN 0.667 nan 8.290 nan 0.000 0.408 549 D N -0.250 120.194 120.400 0.073 0.000 2.092 549 D HA -0.183 4.338 4.640 -0.198 0.000 0.193 549 D C 1.823 178.171 176.300 0.080 0.000 0.994 549 D CA 1.775 55.818 54.000 0.072 0.000 0.828 549 D CB -0.756 40.078 40.800 0.057 0.000 0.963 549 D HN 0.461 nan 8.370 nan 0.000 0.450 550 D N -0.196 120.249 120.400 0.076 0.000 2.116 550 D HA -0.202 4.319 4.640 -0.198 0.000 0.193 550 D C 2.323 178.695 176.300 0.120 0.000 0.998 550 D CA 1.231 55.282 54.000 0.086 0.000 0.836 550 D CB -0.547 40.294 40.800 0.068 0.000 0.951 550 D HN 0.290 nan 8.370 nan 0.000 0.449 551 F N 1.195 121.213 119.950 0.114 0.000 2.115 551 F HA -0.133 4.275 4.527 -0.198 0.000 0.300 551 F C 2.729 178.642 175.800 0.188 0.000 1.092 551 F CA 2.247 60.332 58.000 0.141 0.000 1.245 551 F CB -1.314 37.757 39.000 0.119 0.000 0.995 551 F HN 0.234 nan 8.300 nan 0.000 0.481 552 A N 0.170 123.075 122.820 0.142 0.000 1.877 552 A HA 0.131 4.332 4.320 -0.198 0.000 0.216 552 A C 2.683 180.339 177.584 0.120 0.000 1.186 552 A CA 2.375 54.484 52.037 0.121 0.000 0.620 552 A CB -1.587 17.467 19.000 0.090 0.000 0.822 552 A HN 1.571 nan 8.150 nan 0.000 0.443 553 A N -1.164 121.727 122.820 0.119 0.000 1.958 553 A HA -0.163 4.038 4.320 -0.198 0.000 0.221 553 A C 2.034 179.695 177.584 0.129 0.000 1.178 553 A CA 1.888 53.987 52.037 0.103 0.000 0.642 553 A CB -0.767 18.292 19.000 0.099 0.000 0.816 553 A HN 0.766 nan 8.150 nan 0.000 0.453 554 F N 0.862 120.834 119.950 0.036 0.000 2.075 554 F HA -0.155 4.253 4.527 -0.199 0.000 0.297 554 F C 2.231 178.050 175.800 0.031 0.000 1.113 554 F CA 2.132 60.154 58.000 0.037 0.000 1.218 554 F CB -0.431 38.599 39.000 0.049 0.000 0.984 554 F HN 0.043 nan 8.300 nan 0.000 0.472 555 V N 1.756 121.670 119.914 0.001 0.000 2.307 555 V HA -0.285 3.716 4.120 -0.198 0.000 0.245 555 V C 2.340 178.364 176.094 -0.118 0.000 1.045 555 V CA 2.097 64.333 62.300 -0.106 0.000 1.024 555 V CB -1.423 30.433 31.823 0.054 0.000 0.651 555 V HN 0.532 nan 8.190 nan 0.000 0.449 556 E N 1.756 121.929 120.200 -0.046 0.000 2.033 556 E HA -0.327 3.904 4.350 -0.198 0.000 0.199 556 E C 2.238 178.794 176.600 -0.073 0.000 1.011 556 E CA 1.910 58.285 56.400 -0.042 0.000 0.815 556 E CB -0.514 29.179 29.700 -0.010 0.000 0.755 556 E HN 0.586 nan 8.360 nan 0.000 0.451 557 K N 0.778 121.131 120.400 -0.079 0.000 1.977 557 K HA -0.227 3.974 4.320 -0.198 0.000 0.218 557 K C 2.361 178.876 176.600 -0.141 0.000 1.051 557 K CA 1.936 58.171 56.287 -0.087 0.000 0.953 557 K CB -0.713 31.749 32.500 -0.064 0.000 0.727 557 K HN 0.347 nan 8.250 nan 0.000 0.445 558 c N 0.988 119.429 118.600 -0.265 0.000 2.401 558 c HA -0.135 4.316 4.570 -0.198 0.000 0.286 558 c C 2.864 176.818 174.090 -0.226 0.000 1.332 558 c CA 0.911 57.043 56.329 -0.329 0.000 1.795 558 c CB -1.327 40.746 42.510 -0.728 0.000 1.922 558 c HN 0.704 nan 8.230 nan 0.000 0.520 559 c N -0.147 118.342 118.600 -0.185 0.000 2.505 559 c HA 0.113 4.564 4.570 -0.198 0.000 0.279 559 c C 3.086 177.130 174.090 -0.076 0.000 1.316 559 c CA 1.543 57.804 56.329 -0.114 0.000 1.720 559 c CB -1.092 41.366 42.510 -0.087 0.000 2.050 559 c HN 0.732 nan 8.230 nan 0.000 0.493 560 K N 0.129 120.487 120.400 -0.070 0.000 2.366 560 K HA 0.490 4.691 4.320 -0.198 0.000 0.198 560 K C 0.833 177.408 176.600 -0.042 0.000 1.044 560 K CA 1.102 57.361 56.287 -0.047 0.000 0.973 560 K CB -0.570 31.906 32.500 -0.039 0.000 0.767 560 K HN 0.601 nan 8.250 nan 0.000 0.475 561 A N 1.168 123.957 122.820 -0.052 0.000 2.366 561 A HA 0.487 4.688 4.320 -0.198 0.000 0.272 561 A C 0.290 177.853 177.584 -0.035 0.000 1.135 561 A CA 0.266 52.278 52.037 -0.041 0.000 0.804 561 A CB -0.356 18.615 19.000 -0.047 0.000 1.064 561 A HN 0.635 nan 8.150 nan 0.000 0.499 562 D N 2.526 122.912 120.400 -0.023 0.000 2.522 562 D HA 0.413 4.934 4.640 -0.198 0.000 0.218 562 D C 0.046 176.338 176.300 -0.014 0.000 1.149 562 D CA 0.086 54.076 54.000 -0.017 0.000 0.981 562 D CB 0.030 40.822 40.800 -0.012 0.000 1.041 562 D HN 0.647 nan 8.370 nan 0.000 0.518 563 D N -0.581 119.809 120.400 -0.016 0.000 2.636 563 D HA 0.328 4.849 4.640 -0.198 0.000 0.270 563 D C 0.428 176.724 176.300 -0.006 0.000 1.430 563 D CA 0.372 54.366 54.000 -0.010 0.000 0.796 563 D CB -0.440 40.353 40.800 -0.011 0.000 1.117 563 D HN 0.831 nan 8.370 nan 0.000 0.480 564 K N -0.256 120.140 120.400 -0.007 0.000 7.076 564 K HA 0.067 4.268 4.320 -0.198 0.000 0.747 564 K C 0.503 177.101 176.600 -0.003 0.000 2.505 564 K CA 1.029 57.316 56.287 -0.002 0.000 1.814 564 K CB -2.691 29.812 32.500 0.004 0.000 2.142 564 K HN 0.766 nan 8.250 nan 0.000 0.274 565 E N 1.122 121.320 120.200 -0.003 0.000 2.625 565 E HA 0.222 4.453 4.350 -0.198 0.000 0.213 565 E C 2.018 178.627 176.600 0.015 0.000 1.386 565 E CA 2.460 58.858 56.400 -0.003 0.000 1.145 565 E CB -1.739 27.963 29.700 0.004 0.000 1.140 565 E HN 2.136 nan 8.360 nan 0.000 0.501 566 T N -1.054 113.509 114.554 0.015 0.000 2.937 566 T HA -0.035 4.196 4.350 -0.198 0.000 0.260 566 T C 2.349 177.077 174.700 0.046 0.000 1.051 566 T CA 1.699 63.818 62.100 0.032 0.000 1.141 566 T CB -0.910 67.973 68.868 0.025 0.000 0.879 566 T HN 1.012 nan 8.240 nan 0.000 0.459 567 c N 0.104 118.716 118.600 0.020 0.000 2.403 567 c HA 0.105 4.556 4.570 -0.198 0.000 0.282 567 c C 2.596 176.744 174.090 0.096 0.000 1.297 567 c CA 0.733 57.079 56.329 0.028 0.000 1.785 567 c CB -2.340 40.140 42.510 -0.049 0.000 1.963 567 c HN 0.513 nan 8.230 nan 0.000 0.507 568 F N 1.162 121.158 119.950 0.077 0.000 2.186 568 F HA 0.336 4.744 4.527 -0.198 0.000 0.299 568 F C 2.665 178.648 175.800 0.304 0.000 1.090 568 F CA 1.800 59.943 58.000 0.237 0.000 1.307 568 F CB -1.331 37.752 39.000 0.139 0.000 1.019 568 F HN 0.580 nan 8.300 nan 0.000 0.489 569 A N -0.530 122.393 122.820 0.171 0.000 1.874 569 A HA -0.008 4.194 4.320 -0.198 0.000 0.214 569 A C 1.974 179.634 177.584 0.126 0.000 1.189 569 A CA 1.303 53.419 52.037 0.132 0.000 0.615 569 A CB -0.863 18.189 19.000 0.087 0.000 0.830 569 A HN 0.591 nan 8.150 nan 0.000 0.443 570 E N -0.321 119.949 120.200 0.118 0.000 2.016 570 E HA -0.156 4.075 4.350 -0.198 0.000 0.190 570 E C 1.859 178.537 176.600 0.130 0.000 0.985 570 E CA 1.254 57.714 56.400 0.099 0.000 0.802 570 E CB -0.173 29.571 29.700 0.074 0.000 0.762 570 E HN 0.525 nan 8.360 nan 0.000 0.448 571 E N 0.184 120.510 120.200 0.210 0.000 2.409 571 E HA -0.070 4.161 4.350 -0.198 0.000 0.198 571 E C 1.722 178.487 176.600 0.276 0.000 1.024 571 E CA 0.683 57.260 56.400 0.294 0.000 0.861 571 E CB -0.225 29.720 29.700 0.408 0.000 0.788 571 E HN 0.345 nan 8.360 nan 0.000 0.521 572 G N 0.809 109.737 108.800 0.213 0.000 2.403 572 G HA2 -0.248 3.593 3.960 -0.198 0.000 0.216 572 G HA3 -0.248 3.593 3.960 -0.198 0.000 0.216 572 G C 1.297 176.157 174.900 -0.067 0.000 1.154 572 G CA 0.412 45.469 45.100 -0.072 0.000 0.784 572 G HN 0.210 nan 8.290 nan 0.000 0.538 573 K N 0.378 120.783 120.400 0.008 0.000 2.228 573 K HA 0.081 4.282 4.320 -0.198 0.000 0.202 573 K C 2.274 178.846 176.600 -0.046 0.000 1.051 573 K CA 0.713 56.990 56.287 -0.017 0.000 0.960 573 K CB 0.015 32.517 32.500 0.003 0.000 0.743 573 K HN 0.291 nan 8.250 nan 0.000 0.458 574 K N 1.928 122.320 120.400 -0.014 0.000 1.991 574 K HA -0.195 4.007 4.320 -0.198 0.000 0.212 574 K C 2.396 178.972 176.600 -0.039 0.000 1.049 574 K CA 1.618 57.900 56.287 -0.008 0.000 0.932 574 K CB -0.641 31.887 32.500 0.047 0.000 0.717 574 K HN 0.092 nan 8.250 nan 0.000 0.441 575 L N 1.352 122.540 121.223 -0.058 0.000 2.081 575 L HA -0.109 4.113 4.340 -0.198 0.000 0.212 575 L C 3.119 179.936 176.870 -0.088 0.000 1.080 575 L CA 2.568 57.367 54.840 -0.069 0.000 0.754 575 L CB -2.077 39.904 42.059 -0.130 0.000 0.893 575 L HN 0.415 nan 8.230 nan 0.000 0.433 576 V N -1.104 118.734 119.914 -0.128 0.000 2.392 576 V HA -0.069 3.932 4.120 -0.198 0.000 0.249 576 V C 2.922 178.880 176.094 -0.227 0.000 1.059 576 V CA 3.495 65.662 62.300 -0.223 0.000 1.051 576 V CB -1.264 30.345 31.823 -0.357 0.000 0.658 576 V HN 0.864 nan 8.190 nan 0.000 0.455 577 A N -0.109 122.613 122.820 -0.163 0.000 1.898 577 A HA 0.166 4.367 4.320 -0.198 0.000 0.216 577 A C 2.635 180.160 177.584 -0.098 0.000 1.181 577 A CA 2.334 54.291 52.037 -0.134 0.000 0.620 577 A CB -0.790 18.153 19.000 -0.095 0.000 0.819 577 A HN 1.236 nan 8.150 nan 0.000 0.442 578 A N 0.595 123.374 122.820 -0.069 0.000 1.858 578 A HA -0.130 4.072 4.320 -0.198 0.000 0.216 578 A C 2.538 180.094 177.584 -0.047 0.000 1.190 578 A CA 2.644 54.655 52.037 -0.043 0.000 0.617 578 A CB -1.235 17.753 19.000 -0.020 0.000 0.827 578 A HN 0.987 nan 8.150 nan 0.000 0.443 579 S N -0.693 114.973 115.700 -0.056 0.000 2.377 579 S HA -0.293 4.058 4.470 -0.198 0.000 0.224 579 S C 2.275 176.836 174.600 -0.065 0.000 1.042 579 S CA 2.586 60.756 58.200 -0.049 0.000 1.086 579 S CB -1.459 61.706 63.200 -0.060 0.000 0.995 579 S HN 1.106 nan 8.310 nan 0.000 0.428 580 Q N 1.256 120.990 119.800 -0.110 0.000 2.217 580 Q HA -0.013 4.208 4.340 -0.198 0.000 0.209 580 Q C 2.491 178.448 176.000 -0.071 0.000 0.988 580 Q CA 2.553 58.290 55.803 -0.110 0.000 0.878 580 Q CB -1.698 26.945 28.738 -0.158 0.000 0.909 580 Q HN 1.092 nan 8.270 nan 0.000 0.424 581 A N 0.139 122.923 122.820 -0.061 0.000 1.930 581 A HA 0.465 4.666 4.320 -0.198 0.000 0.217 581 A C 1.813 179.381 177.584 -0.028 0.000 1.175 581 A CA 1.301 53.313 52.037 -0.042 0.000 0.627 581 A CB -0.593 18.385 19.000 -0.036 0.000 0.815 581 A HN 1.186 nan 8.150 nan 0.000 0.443 582 A N 0.000 122.807 122.820 -0.022 0.000 2.254 582 A HA 0.000 4.201 4.320 -0.198 0.000 0.244 582 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 582 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 582 A HN 0.000 nan 8.150 nan 0.000 0.486