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 1ao6_1_B DATA FIRST_RESID 5 DATA SEQUENCE SEVAHRFKDL GEENFKALVL IAFAQYLQQC PFEDHVKLVN EVTEFAKTcV DATA SEQUENCE ADESAENcDK SLHTLFGDKL cTVATLRETY GEMADccAKQ EPERNEcFLQ DATA SEQUENCE HKDDNPNLPR LVRPEVDVMc TAFHDNEETF LKKYLYEIAR RHPYFYAPEL DATA SEQUENCE LFFAKRYKAA FTEccQAADK AAcLLPKLDE LRDEGKASSA KQRLKcASLQ DATA SEQUENCE KFGERAFKAW AVARLSQRFP KAEFAEVSKL VTDLTKVHTE ccHGDLLEcA DATA SEQUENCE DDRADLAKYI cENQDSISSK LKEccEKPLL EKSHcIAEVE NDEMPADLPS DATA SEQUENCE LAADFVESKD VcKNYAEAKD VFLGMFLYEY ARRHPDYSVV LLLRLAKTYE DATA SEQUENCE TTLEKccAAA DPHEcYAKVF DEFKPLVEEP QNLIKQNcEL FEQLGEYKFQ DATA SEQUENCE NALLVRYTKK VPQVSTPTLV EVSRNLGKVG SKccKHPEAK RMPcAEDYLS DATA SEQUENCE VVLNQLcVLH EKTPVSDRVT KccTESLVNR RPcFSALEVD ETYVPKEFNA DATA SEQUENCE ETFTFHADIc TLSEKERQIK KQTALVELVK HKPKATKEQL KAVMDDFAAF DATA SEQUENCE VEKccKADDK ETcFAEEGKK LVAASQAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.645 174.600 0.075 0.000 1.055 5 S CA 0.000 58.221 58.200 0.035 0.000 1.107 5 S CB 0.000 63.205 63.200 0.007 0.000 0.593 6 E N 3.377 123.638 120.200 0.101 0.000 2.122 6 E HA 0.070 4.417 4.350 -0.004 0.000 0.190 6 E C 1.787 178.503 176.600 0.194 0.000 0.977 6 E CA 1.552 58.050 56.400 0.163 0.000 0.820 6 E CB -0.095 29.677 29.700 0.120 0.000 0.770 6 E HN 0.474 nan 8.360 nan 0.000 0.462 7 V N 0.297 120.313 119.914 0.171 0.000 2.407 7 V HA -0.210 3.908 4.120 -0.004 0.000 0.248 7 V C 2.042 178.239 176.094 0.171 0.000 1.055 7 V CA 2.155 64.604 62.300 0.248 0.000 1.049 7 V CB -0.481 31.520 31.823 0.297 0.000 0.662 7 V HN 0.423 nan 8.190 nan 0.000 0.455 8 A N -1.436 121.424 122.820 0.066 0.000 1.929 8 A HA -0.210 4.108 4.320 -0.004 0.000 0.216 8 A C 2.155 179.814 177.584 0.124 0.000 1.176 8 A CA 1.660 53.691 52.037 -0.011 0.000 0.628 8 A CB -0.979 17.985 19.000 -0.061 0.000 0.816 8 A HN 0.820 nan 8.150 nan 0.000 0.444 9 H N -0.389 118.713 119.070 0.053 0.000 2.253 9 H HA -0.155 4.398 4.556 -0.005 0.000 0.296 9 H C 2.311 177.707 175.328 0.115 0.000 1.074 9 H CA 1.506 57.595 56.048 0.069 0.000 1.263 9 H CB 0.009 29.807 29.762 0.060 0.000 1.363 9 H HN 0.249 nan 8.280 nan 0.000 0.489 10 R N 0.192 120.688 120.500 -0.006 0.000 2.083 10 R HA -0.171 4.167 4.340 -0.004 0.000 0.237 10 R C 2.402 178.779 176.300 0.128 0.000 1.137 10 R CA 1.163 57.243 56.100 -0.034 0.000 0.951 10 R CB -1.528 28.842 30.300 0.117 0.000 0.851 10 R HN 0.371 nan 8.270 nan 0.000 0.434 11 F N 2.219 122.173 119.950 0.007 0.000 2.063 11 F HA -0.293 4.232 4.527 -0.004 0.000 0.298 11 F C 2.177 177.907 175.800 -0.117 0.000 1.109 11 F CA 1.881 59.742 58.000 -0.232 0.000 1.212 11 F CB -0.113 38.556 39.000 -0.552 0.000 0.973 11 F HN -0.037 nan 8.300 nan 0.000 0.480 12 K N -0.401 120.141 120.400 0.238 0.000 2.097 12 K HA -0.179 4.139 4.320 -0.004 0.000 0.206 12 K C 1.748 178.385 176.600 0.061 0.000 1.049 12 K CA 1.586 57.967 56.287 0.158 0.000 0.933 12 K CB -0.320 32.261 32.500 0.136 0.000 0.717 12 K HN 0.251 nan 8.250 nan 0.000 0.442 13 D N 0.677 121.086 120.400 0.015 0.000 2.117 13 D HA -0.090 4.548 4.640 -0.004 0.000 0.198 13 D C 1.699 177.983 176.300 -0.027 0.000 0.982 13 D CA 1.084 55.070 54.000 -0.023 0.000 0.828 13 D CB 0.081 40.811 40.800 -0.118 0.000 0.967 13 D HN 0.138 nan 8.370 nan 0.000 0.464 14 L N -0.912 120.289 121.223 -0.037 0.000 2.513 14 L HA 0.307 4.644 4.340 -0.004 0.000 0.222 14 L C 1.032 177.844 176.870 -0.096 0.000 1.096 14 L CA 0.083 54.896 54.840 -0.045 0.000 0.857 14 L CB -0.256 41.796 42.059 -0.011 0.000 1.026 14 L HN 0.014 nan 8.230 nan 0.000 0.469 15 G N 1.065 109.761 108.800 -0.174 0.000 2.757 15 G HA2 -0.263 3.694 3.960 -0.004 0.000 0.686 15 G HA3 -0.263 3.694 3.960 -0.004 0.000 0.686 15 G C 0.380 174.997 174.900 -0.471 0.000 1.452 15 G CA 0.115 45.064 45.100 -0.251 0.000 0.922 15 G HN 0.318 nan 8.290 nan 0.000 0.588 16 E N 0.171 120.007 120.200 -0.606 0.000 2.147 16 E HA -0.217 4.130 4.350 -0.004 0.000 0.199 16 E C 2.154 178.645 176.600 -0.180 0.000 1.005 16 E CA 2.044 58.097 56.400 -0.577 0.000 0.810 16 E CB -0.040 29.560 29.700 -0.166 0.000 0.736 16 E HN 0.772 nan 8.360 nan 0.000 0.460 17 E N 0.103 120.241 120.200 -0.104 0.000 2.007 17 E HA -0.199 4.149 4.350 -0.004 0.000 0.194 17 E C 2.031 178.611 176.600 -0.034 0.000 0.999 17 E CA 1.318 57.696 56.400 -0.037 0.000 0.811 17 E CB -0.218 29.469 29.700 -0.020 0.000 0.762 17 E HN 0.254 nan 8.360 nan 0.000 0.450 18 N N 0.834 119.506 118.700 -0.046 0.000 2.080 18 N HA -0.148 4.589 4.740 -0.004 0.000 0.189 18 N C 1.651 177.120 175.510 -0.069 0.000 1.036 18 N CA 0.821 53.842 53.050 -0.050 0.000 0.846 18 N CB -0.708 37.753 38.487 -0.044 0.000 1.015 18 N HN 0.111 nan 8.380 nan 0.000 0.423 19 F N 2.175 121.991 119.950 -0.222 0.000 2.115 19 F HA -0.232 4.292 4.527 -0.005 0.000 0.300 19 F C 2.192 177.885 175.800 -0.179 0.000 1.092 19 F CA 1.682 59.549 58.000 -0.221 0.000 1.245 19 F CB -0.094 38.669 39.000 -0.396 0.000 0.995 19 F HN -0.013 nan 8.300 nan 0.000 0.481 20 K N 0.088 120.509 120.400 0.036 0.000 2.155 20 K HA -0.044 4.273 4.320 -0.004 0.000 0.203 20 K C 2.134 178.636 176.600 -0.163 0.000 1.052 20 K CA 0.984 57.259 56.287 -0.021 0.000 0.948 20 K CB -0.301 32.250 32.500 0.084 0.000 0.728 20 K HN 0.343 nan 8.250 nan 0.000 0.448 21 A N 1.171 123.906 122.820 -0.141 0.000 1.898 21 A HA -0.014 4.304 4.320 -0.004 0.000 0.214 21 A C 2.013 179.460 177.584 -0.228 0.000 1.183 21 A CA 0.794 52.746 52.037 -0.140 0.000 0.622 21 A CB -0.397 18.556 19.000 -0.079 0.000 0.824 21 A HN 0.283 nan 8.150 nan 0.000 0.444 22 L N -0.521 120.537 121.223 -0.276 0.000 2.217 22 L HA -0.095 4.242 4.340 -0.004 0.000 0.211 22 L C 2.354 178.930 176.870 -0.490 0.000 1.107 22 L CA 0.477 55.122 54.840 -0.324 0.000 0.783 22 L CB -0.304 41.586 42.059 -0.282 0.000 0.919 22 L HN 0.229 nan 8.230 nan 0.000 0.442 23 V N -0.238 119.285 119.914 -0.652 0.000 2.323 23 V HA -0.245 3.872 4.120 -0.004 0.000 0.244 23 V C 2.330 177.835 176.094 -0.983 0.000 1.041 23 V CA 1.327 63.035 62.300 -0.986 0.000 1.025 23 V CB -0.260 30.958 31.823 -1.008 0.000 0.656 23 V HN 0.309 nan 8.190 nan 0.000 0.451 24 L N 0.238 121.094 121.223 -0.612 0.000 2.043 24 L HA -0.191 4.146 4.340 -0.004 0.000 0.212 24 L C 2.157 178.789 176.870 -0.397 0.000 1.075 24 L CA 2.010 56.593 54.840 -0.428 0.000 0.752 24 L CB -0.554 41.380 42.059 -0.208 0.000 0.891 24 L HN 0.243 nan 8.230 nan 0.000 0.432 25 I N -0.538 119.809 120.570 -0.372 0.000 2.142 25 I HA -0.298 3.869 4.170 -0.004 0.000 0.240 25 I C 2.637 178.535 176.117 -0.365 0.000 1.078 25 I CA 1.227 62.337 61.300 -0.317 0.000 1.343 25 I CB -0.870 36.968 38.000 -0.269 0.000 1.046 25 I HN 0.372 nan 8.210 nan 0.000 0.405 26 A N 1.245 123.802 122.820 -0.438 0.000 1.917 26 A HA -0.221 4.097 4.320 -0.004 0.000 0.219 26 A C 2.106 179.542 177.584 -0.247 0.000 1.182 26 A CA 1.742 53.539 52.037 -0.401 0.000 0.633 26 A CB -0.862 17.897 19.000 -0.402 0.000 0.819 26 A HN 0.325 nan 8.150 nan 0.000 0.448 27 F N -0.039 119.670 119.950 -0.402 0.000 2.113 27 F HA -0.026 4.499 4.527 -0.004 0.000 0.297 27 F C 2.887 178.318 175.800 -0.616 0.000 1.103 27 F CA 0.262 57.995 58.000 -0.445 0.000 1.248 27 F CB -1.405 37.270 39.000 -0.541 0.000 0.999 27 F HN 0.285 nan 8.300 nan 0.000 0.475 28 A N -0.208 122.342 122.820 -0.450 0.000 1.978 28 A HA -0.219 4.098 4.320 -0.004 0.000 0.220 28 A C 2.153 179.589 177.584 -0.246 0.000 1.170 28 A CA 1.586 53.427 52.037 -0.326 0.000 0.636 28 A CB -0.784 18.112 19.000 -0.173 0.000 0.810 28 A HN 0.490 nan 8.150 nan 0.000 0.448 29 Q N -2.038 117.576 119.800 -0.309 0.000 2.172 29 Q HA -0.123 4.215 4.340 -0.004 0.000 0.200 29 Q C 1.827 177.613 176.000 -0.356 0.000 0.964 29 Q CA 1.262 56.854 55.803 -0.351 0.000 0.855 29 Q CB -0.224 28.252 28.738 -0.437 0.000 0.918 29 Q HN 0.791 nan 8.270 nan 0.000 0.444 30 Y N 0.544 120.707 120.300 -0.228 0.000 2.130 30 Y HA -0.031 4.516 4.550 -0.004 0.000 0.287 30 Y C 1.218 176.978 175.900 -0.234 0.000 1.124 30 Y CA 0.692 58.626 58.100 -0.277 0.000 1.118 30 Y CB 0.154 38.338 38.460 -0.461 0.000 0.994 30 Y HN -0.022 nan 8.280 nan 0.000 0.497 31 L N 1.482 122.683 121.223 -0.037 0.000 2.589 31 L HA 0.189 4.527 4.340 -0.004 0.000 0.244 31 L C 0.834 177.678 176.870 -0.045 0.000 1.159 31 L CA -0.072 54.711 54.840 -0.096 0.000 1.074 31 L CB 0.448 42.450 42.059 -0.095 0.000 1.391 31 L HN 0.237 nan 8.230 nan 0.000 0.423 32 Q N -0.110 119.636 119.800 -0.091 0.000 2.368 32 Q HA -0.174 4.163 4.340 -0.004 0.000 0.210 32 Q C 1.380 177.337 176.000 -0.071 0.000 0.982 32 Q CA 1.197 56.947 55.803 -0.087 0.000 0.884 32 Q CB 0.202 28.879 28.738 -0.101 0.000 0.933 32 Q HN 0.603 nan 8.270 nan 0.000 0.460 33 Q N -0.981 118.732 119.800 -0.146 0.000 2.392 33 Q HA 0.064 4.401 4.340 -0.004 0.000 0.203 33 Q C 0.263 176.300 176.000 0.061 0.000 0.917 33 Q CA 0.061 55.852 55.803 -0.021 0.000 0.939 33 Q CB 0.323 29.147 28.738 0.143 0.000 1.063 33 Q HN 0.250 nan 8.270 nan 0.000 0.516 34 C N 3.150 122.344 119.300 -0.176 0.000 2.585 34 C HA 0.285 4.742 4.460 -0.004 0.000 0.406 34 C C -1.930 173.072 174.990 0.020 0.000 1.312 34 C CA -1.190 57.761 59.018 -0.111 0.000 1.924 34 C CB 0.205 27.633 27.740 -0.520 0.000 2.578 34 C HN 0.185 nan 8.230 nan 0.000 0.580 35 P HA 0.039 nan 4.420 nan 0.000 0.269 35 P C 0.519 177.726 177.300 -0.155 0.000 1.215 35 P CA 0.032 63.165 63.100 0.055 0.000 0.780 35 P CB 0.259 31.974 31.700 0.024 0.000 0.898 36 F N 2.711 122.383 119.950 -0.464 0.000 2.065 36 F HA -0.261 4.263 4.527 -0.005 0.000 0.298 36 F C 1.774 177.341 175.800 -0.387 0.000 1.112 36 F CA 1.967 59.428 58.000 -0.897 0.000 1.212 36 F CB -0.609 37.897 39.000 -0.823 0.000 0.975 36 F HN 0.322 nan 8.300 nan 0.000 0.476 37 E N 0.415 120.429 120.200 -0.310 0.000 2.097 37 E HA -0.238 4.109 4.350 -0.004 0.000 0.196 37 E C 1.783 178.219 176.600 -0.274 0.000 1.000 37 E CA 1.902 58.138 56.400 -0.272 0.000 0.804 37 E CB -0.545 29.114 29.700 -0.070 0.000 0.740 37 E HN 0.492 nan 8.360 nan 0.000 0.454 38 D N -0.902 119.353 120.400 -0.242 0.000 2.137 38 D HA -0.082 4.555 4.640 -0.004 0.000 0.202 38 D C 1.746 177.950 176.300 -0.160 0.000 0.970 38 D CA 0.877 54.762 54.000 -0.191 0.000 0.837 38 D CB -0.155 40.537 40.800 -0.179 0.000 0.981 38 D HN 0.233 nan 8.370 nan 0.000 0.475 39 H N 0.082 119.052 119.070 -0.167 0.000 2.353 39 H HA -0.017 4.537 4.556 -0.004 0.000 0.300 39 H C 2.286 177.542 175.328 -0.121 0.000 1.090 39 H CA 0.564 56.569 56.048 -0.071 0.000 1.327 39 H CB -0.491 29.249 29.762 -0.037 0.000 1.383 39 H HN 0.015 nan 8.280 nan 0.000 0.508 40 V N 1.328 121.095 119.914 -0.244 0.000 2.287 40 V HA -0.289 3.828 4.120 -0.004 0.000 0.248 40 V C 2.626 178.661 176.094 -0.099 0.000 1.053 40 V CA 2.191 64.327 62.300 -0.274 0.000 1.027 40 V CB -0.488 31.034 31.823 -0.502 0.000 0.646 40 V HN 0.362 nan 8.190 nan 0.000 0.447 41 K N 0.217 120.563 120.400 -0.091 0.000 2.001 41 K HA -0.209 4.108 4.320 -0.004 0.000 0.214 41 K C 2.133 178.758 176.600 0.043 0.000 1.050 41 K CA 1.991 58.264 56.287 -0.024 0.000 0.934 41 K CB -0.373 32.106 32.500 -0.035 0.000 0.718 41 K HN 0.416 nan 8.250 nan 0.000 0.443 42 L N 0.942 122.211 121.223 0.077 0.000 2.129 42 L HA -0.195 4.143 4.340 -0.004 0.000 0.212 42 L C 2.438 179.482 176.870 0.289 0.000 1.087 42 L CA 0.995 55.934 54.840 0.165 0.000 0.757 42 L CB -0.536 41.609 42.059 0.143 0.000 0.896 42 L HN 0.119 nan 8.230 nan 0.000 0.434 43 V N -0.196 119.845 119.914 0.212 0.000 2.379 43 V HA -0.199 3.918 4.120 -0.004 0.000 0.245 43 V C 2.205 178.377 176.094 0.129 0.000 1.044 43 V CA 1.616 63.981 62.300 0.107 0.000 1.036 43 V CB -0.648 31.148 31.823 -0.044 0.000 0.664 43 V HN 0.462 nan 8.190 nan 0.000 0.453 44 N N 0.517 119.278 118.700 0.101 0.000 2.084 44 N HA -0.169 4.568 4.740 -0.004 0.000 0.190 44 N C 1.811 177.414 175.510 0.156 0.000 1.030 44 N CA 1.569 54.686 53.050 0.112 0.000 0.849 44 N CB -0.321 38.206 38.487 0.067 0.000 1.012 44 N HN 0.608 nan 8.380 nan 0.000 0.423 45 E N 0.427 120.719 120.200 0.154 0.000 2.038 45 E HA -0.113 4.234 4.350 -0.004 0.000 0.195 45 E C 1.934 178.695 176.600 0.268 0.000 1.000 45 E CA 1.084 57.590 56.400 0.177 0.000 0.803 45 E CB -0.146 29.638 29.700 0.140 0.000 0.750 45 E HN 0.056 nan 8.360 nan 0.000 0.448 46 V N 1.389 121.495 119.914 0.320 0.000 2.568 46 V HA -0.241 3.876 4.120 -0.004 0.000 0.253 46 V C 2.209 178.623 176.094 0.534 0.000 1.072 46 V CA 2.040 64.616 62.300 0.460 0.000 1.084 46 V CB -0.646 31.461 31.823 0.474 0.000 0.676 46 V HN 0.351 nan 8.190 nan 0.000 0.469 47 T N -0.966 113.850 114.554 0.436 0.000 2.770 47 T HA -0.155 4.192 4.350 -0.004 0.000 0.258 47 T C 1.851 176.685 174.700 0.224 0.000 1.039 47 T CA 1.382 63.747 62.100 0.441 0.000 1.143 47 T CB -0.133 68.959 68.868 0.373 0.000 0.866 47 T HN 0.540 nan 8.240 nan 0.000 0.428 48 E N 0.183 120.497 120.200 0.190 0.000 2.048 48 E HA -0.200 4.147 4.350 -0.004 0.000 0.202 48 E C 1.947 178.591 176.600 0.073 0.000 1.021 48 E CA 1.397 57.861 56.400 0.106 0.000 0.825 48 E CB -0.260 29.516 29.700 0.126 0.000 0.756 48 E HN 0.427 nan 8.360 nan 0.000 0.454 49 F N 1.063 121.052 119.950 0.064 0.000 2.091 49 F HA -0.248 4.276 4.527 -0.004 0.000 0.299 49 F C 2.074 177.869 175.800 -0.008 0.000 1.103 49 F CA 1.781 59.810 58.000 0.049 0.000 1.228 49 F CB -0.634 38.432 39.000 0.110 0.000 0.984 49 F HN 0.057 nan 8.300 nan 0.000 0.477 50 A N 0.019 122.752 122.820 -0.144 0.000 1.933 50 A HA -0.212 4.105 4.320 -0.004 0.000 0.218 50 A C 2.242 179.410 177.584 -0.694 0.000 1.175 50 A CA 1.857 53.656 52.037 -0.396 0.000 0.628 50 A CB -0.678 18.177 19.000 -0.242 0.000 0.814 50 A HN 0.501 nan 8.150 nan 0.000 0.444 51 K N -0.513 119.526 120.400 -0.601 0.000 2.097 51 K HA -0.103 4.214 4.320 -0.004 0.000 0.205 51 K C 2.127 178.479 176.600 -0.413 0.000 1.050 51 K CA 1.702 57.637 56.287 -0.588 0.000 0.938 51 K CB -0.351 31.937 32.500 -0.353 0.000 0.718 51 K HN 0.727 nan 8.250 nan 0.000 0.442 52 T N -1.568 112.770 114.554 -0.360 0.000 2.995 52 T HA -0.095 4.252 4.350 -0.004 0.000 0.269 52 T C 2.112 176.613 174.700 -0.331 0.000 1.091 52 T CA 0.899 62.828 62.100 -0.285 0.000 1.128 52 T CB -0.575 68.164 68.868 -0.214 0.000 0.891 52 T HN 0.173 nan 8.240 nan 0.000 0.492 53 c N 0.725 119.046 118.600 -0.465 0.000 2.485 53 c HA 0.226 4.793 4.570 -0.004 0.000 0.278 53 c C 2.852 176.781 174.090 -0.268 0.000 1.356 53 c CA -0.231 55.874 56.329 -0.373 0.000 1.747 53 c CB -0.941 41.305 42.510 -0.439 0.000 2.001 53 c HN 0.431 nan 8.230 nan 0.000 0.501 54 V N 1.558 121.275 119.914 -0.329 0.000 2.626 54 V HA -0.152 3.965 4.120 -0.004 0.000 0.252 54 V C 2.630 178.613 176.094 -0.185 0.000 1.067 54 V CA 2.049 64.192 62.300 -0.262 0.000 1.081 54 V CB -1.091 30.503 31.823 -0.381 0.000 0.686 54 V HN 0.590 nan 8.190 nan 0.000 0.468 55 A N -0.095 122.609 122.820 -0.194 0.000 1.854 55 A HA -0.090 4.227 4.320 -0.004 0.000 0.214 55 A C 1.196 178.717 177.584 -0.104 0.000 1.192 55 A CA 1.742 53.698 52.037 -0.135 0.000 0.611 55 A CB -0.109 18.811 19.000 -0.133 0.000 0.832 55 A HN 0.574 nan 8.150 nan 0.000 0.442 56 D N -1.983 118.349 120.400 -0.113 0.000 2.478 56 D HA 0.306 4.944 4.640 -0.004 0.000 0.240 56 D C 0.248 176.496 176.300 -0.086 0.000 1.364 56 D CA -0.363 53.588 54.000 -0.081 0.000 0.987 56 D CB 0.767 41.530 40.800 -0.061 0.000 1.328 56 D HN 0.266 nan 8.370 nan 0.000 0.584 57 E N 0.940 121.097 120.200 -0.073 0.000 2.219 57 E HA -0.119 4.228 4.350 -0.004 0.000 0.198 57 E C 0.867 177.446 176.600 -0.035 0.000 0.998 57 E CA 1.018 57.382 56.400 -0.060 0.000 0.818 57 E CB 0.115 29.790 29.700 -0.042 0.000 0.741 57 E HN 0.370 nan 8.360 nan 0.000 0.477 58 S N 0.636 116.319 115.700 -0.028 0.000 2.701 58 S HA 0.247 4.714 4.470 -0.004 0.000 0.220 58 S C 0.714 175.311 174.600 -0.004 0.000 0.954 58 S CA -0.039 58.155 58.200 -0.011 0.000 0.936 58 S CB 0.173 63.366 63.200 -0.011 0.000 0.777 58 S HN 0.292 nan 8.310 nan 0.000 0.518 59 A N 2.130 124.941 122.820 -0.015 0.000 2.227 59 A HA 0.187 4.505 4.320 -0.004 0.000 0.279 59 A C 1.492 179.103 177.584 0.044 0.000 1.367 59 A CA 0.014 52.051 52.037 -0.001 0.000 0.824 59 A CB -0.278 18.700 19.000 -0.036 0.000 1.214 59 A HN 0.356 nan 8.150 nan 0.000 0.514 60 E N -0.606 119.643 120.200 0.082 0.000 1.963 60 E HA -0.195 4.152 4.350 -0.004 0.000 0.215 60 E C 0.422 177.105 176.600 0.139 0.000 0.993 60 E CA 1.671 58.140 56.400 0.115 0.000 0.880 60 E CB -0.165 29.624 29.700 0.148 0.000 0.811 60 E HN 0.637 nan 8.360 nan 0.000 0.539 61 N N -0.340 118.506 118.700 0.243 0.000 2.321 61 N HA 0.082 4.819 4.740 -0.004 0.000 0.242 61 N C 0.423 176.135 175.510 0.337 0.000 1.141 61 N CA -0.121 53.051 53.050 0.202 0.000 0.864 61 N CB 0.380 38.907 38.487 0.066 0.000 1.100 61 N HN 0.221 nan 8.380 nan 0.000 0.510 62 c N 1.038 119.820 118.600 0.303 0.000 2.443 62 c HA -0.076 4.492 4.570 -0.004 0.000 0.290 62 c C 2.088 176.258 174.090 0.134 0.000 1.476 62 c CA 0.507 56.961 56.329 0.208 0.000 1.772 62 c CB -0.906 41.599 42.510 -0.008 0.000 1.714 62 c HN 0.551 nan 8.230 nan 0.000 0.562 63 D N 0.253 120.718 120.400 0.108 0.000 2.354 63 D HA -0.018 4.619 4.640 -0.004 0.000 0.209 63 D C 0.640 176.979 176.300 0.065 0.000 1.015 63 D CA 0.237 54.278 54.000 0.068 0.000 0.867 63 D CB -0.274 40.553 40.800 0.044 0.000 0.933 63 D HN 0.334 nan 8.370 nan 0.000 0.520 64 K N 0.996 121.443 120.400 0.079 0.000 2.380 64 K HA 0.125 4.443 4.320 -0.004 0.000 0.267 64 K C 0.653 177.268 176.600 0.025 0.000 0.990 64 K CA -0.053 56.259 56.287 0.042 0.000 0.946 64 K CB 0.652 33.164 32.500 0.020 0.000 0.937 64 K HN 0.170 nan 8.250 nan 0.000 0.491 65 S N 1.859 117.560 115.700 0.001 0.000 2.592 65 S HA 0.111 4.578 4.470 -0.004 0.000 0.271 65 S C 1.416 175.940 174.600 -0.127 0.000 1.326 65 S CA -0.709 57.477 58.200 -0.024 0.000 1.024 65 S CB 0.545 63.757 63.200 0.020 0.000 0.921 65 S HN 0.557 nan 8.310 nan 0.000 0.527 66 L N 0.866 121.946 121.223 -0.238 0.000 2.079 66 L HA -0.138 4.200 4.340 -0.004 0.000 0.210 66 L C 2.558 179.052 176.870 -0.628 0.000 1.081 66 L CA 1.364 55.820 54.840 -0.640 0.000 0.752 66 L CB -0.870 40.858 42.059 -0.551 0.000 0.896 66 L HN 0.787 nan 8.230 nan 0.000 0.433 67 H N -0.526 118.452 119.070 -0.153 0.000 2.428 67 H HA -0.070 4.483 4.556 -0.004 0.000 0.296 67 H C 2.332 177.660 175.328 0.001 0.000 1.062 67 H CA 1.640 57.690 56.048 0.004 0.000 1.350 67 H CB -0.125 29.689 29.762 0.086 0.000 1.403 67 H HN 0.288 nan 8.280 nan 0.000 0.533 68 T N 1.229 115.823 114.554 0.067 0.000 2.732 68 T HA -0.044 4.304 4.350 -0.004 0.000 0.261 68 T C 2.485 177.189 174.700 0.007 0.000 1.040 68 T CA 0.663 62.783 62.100 0.035 0.000 1.145 68 T CB -0.338 68.534 68.868 0.008 0.000 0.866 68 T HN 0.147 nan 8.240 nan 0.000 0.427 69 L N 0.081 121.258 121.223 -0.078 0.000 2.012 69 L HA -0.105 4.233 4.340 -0.004 0.000 0.210 69 L C 2.476 179.437 176.870 0.151 0.000 1.073 69 L CA 1.377 56.176 54.840 -0.067 0.000 0.748 69 L CB -0.704 41.267 42.059 -0.146 0.000 0.891 69 L HN 0.193 nan 8.230 nan 0.000 0.431 70 F N 0.219 120.257 119.950 0.147 0.000 2.146 70 F HA -0.052 4.472 4.527 -0.005 0.000 0.298 70 F C 2.537 178.361 175.800 0.040 0.000 1.096 70 F CA 0.953 59.078 58.000 0.209 0.000 1.275 70 F CB -1.762 37.452 39.000 0.356 0.000 1.008 70 F HN 0.009 nan 8.300 nan 0.000 0.480 71 G N -0.346 108.608 108.800 0.256 0.000 2.422 71 G HA2 -0.190 3.768 3.960 -0.004 0.000 0.218 71 G HA3 -0.190 3.768 3.960 -0.004 0.000 0.218 71 G C 1.305 176.261 174.900 0.094 0.000 1.140 71 G CA 0.843 46.051 45.100 0.181 0.000 0.775 71 G HN 0.222 nan 8.290 nan 0.000 0.545 72 D N 0.375 120.811 120.400 0.059 0.000 2.144 72 D HA -0.042 4.596 4.640 -0.004 0.000 0.200 72 D C 2.312 178.604 176.300 -0.012 0.000 0.978 72 D CA 0.905 54.913 54.000 0.014 0.000 0.833 72 D CB -0.028 40.765 40.800 -0.010 0.000 0.961 72 D HN 0.200 nan 8.370 nan 0.000 0.470 73 K N 0.621 121.007 120.400 -0.023 0.000 2.031 73 K HA 0.045 4.362 4.320 -0.004 0.000 0.205 73 K C 2.043 178.522 176.600 -0.202 0.000 1.049 73 K CA 0.629 56.862 56.287 -0.090 0.000 0.939 73 K CB -0.436 32.035 32.500 -0.048 0.000 0.717 73 K HN 0.078 nan 8.250 nan 0.000 0.438 74 L N -0.109 120.941 121.223 -0.289 0.000 2.275 74 L HA -0.157 4.180 4.340 -0.004 0.000 0.215 74 L C 1.982 178.800 176.870 -0.086 0.000 1.119 74 L CA 0.577 55.228 54.840 -0.315 0.000 0.790 74 L CB -0.224 41.571 42.059 -0.440 0.000 0.919 74 L HN 0.231 nan 8.230 nan 0.000 0.443 75 c N -0.844 117.753 118.600 -0.005 0.000 2.522 75 c HA -0.051 4.517 4.570 -0.004 0.000 0.271 75 c C 2.688 176.789 174.090 0.018 0.000 1.425 75 c CA 0.824 57.181 56.329 0.048 0.000 1.751 75 c CB -1.018 41.524 42.510 0.053 0.000 1.775 75 c HN 0.519 nan 8.230 nan 0.000 0.557 76 T N 0.508 115.055 114.554 -0.011 0.000 2.857 76 T HA -0.071 4.276 4.350 -0.004 0.000 0.266 76 T C 1.519 176.220 174.700 0.002 0.000 1.048 76 T CA 1.390 63.484 62.100 -0.011 0.000 1.139 76 T CB -0.038 68.814 68.868 -0.026 0.000 0.874 76 T HN 0.410 nan 8.240 nan 0.000 0.455 77 V N 0.442 120.363 119.914 0.011 0.000 3.578 77 V HA 0.419 4.536 4.120 -0.004 0.000 0.290 77 V C 2.350 178.519 176.094 0.125 0.000 1.376 77 V CA 0.317 62.644 62.300 0.046 0.000 1.083 77 V CB -0.377 31.469 31.823 0.039 0.000 0.911 77 V HN 0.424 nan 8.190 nan 0.000 0.433 78 A N 0.893 123.786 122.820 0.122 0.000 1.898 78 A HA -0.099 4.219 4.320 -0.004 0.000 0.214 78 A C 2.070 179.743 177.584 0.149 0.000 1.183 78 A CA 1.927 54.083 52.037 0.198 0.000 0.622 78 A CB -0.822 18.282 19.000 0.174 0.000 0.824 78 A HN 0.477 nan 8.150 nan 0.000 0.444 79 T N 0.675 115.276 114.554 0.078 0.000 3.440 79 T HA 0.170 4.517 4.350 -0.004 0.000 0.260 79 T C 0.275 174.980 174.700 0.009 0.000 1.188 79 T CA 0.449 62.572 62.100 0.038 0.000 1.020 79 T CB -0.808 68.071 68.868 0.018 0.000 0.963 79 T HN 0.280 nan 8.240 nan 0.000 0.556 80 L N 2.180 123.401 121.223 -0.003 0.000 2.504 80 L HA 0.386 4.724 4.340 -0.004 0.000 0.249 80 L C 1.751 178.553 176.870 -0.114 0.000 1.120 80 L CA -0.835 53.965 54.840 -0.066 0.000 0.997 80 L CB 0.447 42.448 42.059 -0.097 0.000 1.349 80 L HN 0.189 nan 8.230 nan 0.000 0.439 81 R N -0.153 120.308 120.500 -0.064 0.000 2.159 81 R HA -0.185 4.152 4.340 -0.004 0.000 0.237 81 R C 0.928 177.166 176.300 -0.102 0.000 1.131 81 R CA 1.389 57.455 56.100 -0.058 0.000 0.982 81 R CB -0.191 30.093 30.300 -0.027 0.000 0.868 81 R HN 0.493 nan 8.270 nan 0.000 0.453 82 E N 0.376 120.507 120.200 -0.114 0.000 2.396 82 E HA -0.103 4.244 4.350 -0.004 0.000 0.200 82 E C 0.894 177.388 176.600 -0.177 0.000 1.023 82 E CA 1.604 57.936 56.400 -0.114 0.000 0.857 82 E CB 0.178 29.821 29.700 -0.095 0.000 0.775 82 E HN 0.513 nan 8.360 nan 0.000 0.525 83 T N -0.935 113.431 114.554 -0.313 0.000 3.071 83 T HA 0.023 4.370 4.350 -0.004 0.000 0.239 83 T C 0.060 174.397 174.700 -0.606 0.000 0.997 83 T CA 0.406 62.159 62.100 -0.578 0.000 1.134 83 T CB 0.172 68.464 68.868 -0.960 0.000 0.928 83 T HN 0.089 nan 8.240 nan 0.000 0.453 84 Y N 1.291 121.583 120.300 -0.014 0.000 2.517 84 Y HA 0.586 5.134 4.550 -0.004 0.000 0.330 84 Y C 1.530 177.415 175.900 -0.026 0.000 0.917 84 Y CA -1.684 56.408 58.100 -0.013 0.000 1.131 84 Y CB -0.467 37.995 38.460 0.003 0.000 1.175 84 Y HN 0.216 nan 8.280 nan 0.000 0.620 85 G N 1.293 110.116 108.800 0.039 0.000 3.903 85 G HA2 -0.458 3.499 3.960 -0.004 0.000 0.260 85 G HA3 -0.458 3.499 3.960 -0.004 0.000 0.260 85 G C 1.512 176.409 174.900 -0.005 0.000 0.882 85 G CA 1.918 47.021 45.100 0.004 0.000 0.749 85 G HN 0.559 nan 8.290 nan 0.000 1.415 86 E N -0.185 119.986 120.200 -0.049 0.000 2.219 86 E HA -0.106 4.241 4.350 -0.004 0.000 0.198 86 E C 2.396 178.906 176.600 -0.149 0.000 0.998 86 E CA 1.051 57.367 56.400 -0.140 0.000 0.818 86 E CB -0.177 29.359 29.700 -0.275 0.000 0.741 86 E HN 0.341 nan 8.360 nan 0.000 0.477 87 M N -0.191 119.386 119.600 -0.039 0.000 2.776 87 M HA -0.005 4.472 4.480 -0.004 0.000 0.233 87 M C 1.540 177.912 176.300 0.119 0.000 1.078 87 M CA 0.419 55.772 55.300 0.089 0.000 1.058 87 M CB -0.578 32.122 32.600 0.167 0.000 1.611 87 M HN 0.066 nan 8.290 nan 0.000 0.541 88 A N -0.979 121.874 122.820 0.054 0.000 2.169 88 A HA 0.004 4.321 4.320 -0.004 0.000 0.210 88 A C 1.785 179.371 177.584 0.003 0.000 1.168 88 A CA 0.403 52.465 52.037 0.040 0.000 0.813 88 A CB -0.088 18.926 19.000 0.024 0.000 0.861 88 A HN 0.241 nan 8.150 nan 0.000 0.481 89 D N 0.189 120.589 120.400 -0.000 0.000 2.078 89 D HA -0.148 4.489 4.640 -0.004 0.000 0.193 89 D C 1.918 178.169 176.300 -0.081 0.000 0.990 89 D CA 1.753 55.744 54.000 -0.015 0.000 0.827 89 D CB -0.429 40.398 40.800 0.045 0.000 0.975 89 D HN 0.458 nan 8.370 nan 0.000 0.451 90 c N 0.046 118.553 118.600 -0.155 0.000 2.410 90 c HA -0.127 4.440 4.570 -0.004 0.000 0.281 90 c C 2.799 176.669 174.090 -0.368 0.000 1.318 90 c CA -0.009 56.082 56.329 -0.397 0.000 1.776 90 c CB -1.296 40.662 42.510 -0.921 0.000 1.942 90 c HN 0.437 nan 8.230 nan 0.000 0.508 91 c N 1.121 119.596 118.600 -0.209 0.000 2.539 91 c HA 0.235 4.802 4.570 -0.004 0.000 0.271 91 c C 2.540 176.580 174.090 -0.084 0.000 1.412 91 c CA 0.741 57.001 56.329 -0.114 0.000 1.729 91 c CB -1.794 40.705 42.510 -0.019 0.000 1.739 91 c HN 0.717 nan 8.230 nan 0.000 0.570 92 A N -0.226 122.541 122.820 -0.090 0.000 2.345 92 A HA 0.218 4.536 4.320 -0.004 0.000 0.225 92 A C 0.743 178.282 177.584 -0.075 0.000 1.243 92 A CA 0.234 52.232 52.037 -0.065 0.000 0.875 92 A CB 0.010 18.979 19.000 -0.051 0.000 0.929 92 A HN 0.619 nan 8.150 nan 0.000 0.502 93 K N -0.619 119.717 120.400 -0.107 0.000 2.303 93 K HA 0.564 4.881 4.320 -0.004 0.000 0.233 93 K C -0.653 175.891 176.600 -0.093 0.000 1.046 93 K CA -0.617 55.607 56.287 -0.105 0.000 0.895 93 K CB 1.076 33.491 32.500 -0.142 0.000 1.220 93 K HN 0.241 nan 8.250 nan 0.000 0.470 94 Q N 0.998 120.751 119.800 -0.078 0.000 2.309 94 Q HA 0.167 4.504 4.340 -0.004 0.000 0.264 94 Q C -0.932 175.031 176.000 -0.060 0.000 1.008 94 Q CA -0.802 54.968 55.803 -0.056 0.000 0.853 94 Q CB 1.799 30.514 28.738 -0.037 0.000 1.314 94 Q HN 0.315 nan 8.270 nan 0.000 0.448 95 E N 2.594 122.769 120.200 -0.041 0.000 2.415 95 E HA 0.006 4.353 4.350 -0.004 0.000 0.262 95 E C -1.665 174.925 176.600 -0.018 0.000 1.038 95 E CA -1.142 55.239 56.400 -0.033 0.000 0.921 95 E CB 0.386 30.091 29.700 0.009 0.000 0.950 95 E HN 0.472 nan 8.360 nan 0.000 0.438 96 P HA 0.102 nan 4.420 nan 0.000 0.257 96 P C 0.300 177.563 177.300 -0.062 0.000 1.281 96 P CA 0.358 63.447 63.100 -0.020 0.000 0.826 96 P CB 0.455 32.173 31.700 0.030 0.000 1.237 97 E N 0.380 120.535 120.200 -0.075 0.000 2.208 97 E HA -0.101 4.246 4.350 -0.004 0.000 0.193 97 E C 2.154 178.646 176.600 -0.180 0.000 0.988 97 E CA 0.395 56.732 56.400 -0.105 0.000 0.828 97 E CB -0.091 29.556 29.700 -0.088 0.000 0.763 97 E HN 0.213 nan 8.360 nan 0.000 0.478 98 R N 1.132 121.507 120.500 -0.208 0.000 2.092 98 R HA -0.134 4.203 4.340 -0.004 0.000 0.231 98 R C 2.041 178.082 176.300 -0.432 0.000 1.119 98 R CA 1.541 57.428 56.100 -0.356 0.000 0.970 98 R CB -0.008 30.124 30.300 -0.280 0.000 0.864 98 R HN 0.026 nan 8.270 nan 0.000 0.440 99 N N 0.328 118.874 118.700 -0.256 0.000 2.051 99 N HA -0.165 4.572 4.740 -0.004 0.000 0.192 99 N C 1.397 176.794 175.510 -0.188 0.000 1.049 99 N CA 1.612 54.526 53.050 -0.227 0.000 0.845 99 N CB -0.018 38.213 38.487 -0.426 0.000 1.031 99 N HN 0.114 nan 8.380 nan 0.000 0.425 100 E N 0.234 120.320 120.200 -0.190 0.000 2.208 100 E HA -0.264 4.083 4.350 -0.004 0.000 0.202 100 E C 2.157 178.657 176.600 -0.167 0.000 1.014 100 E CA 0.907 57.219 56.400 -0.146 0.000 0.819 100 E CB -1.081 28.565 29.700 -0.091 0.000 0.735 100 E HN 0.518 nan 8.360 nan 0.000 0.469 101 c N 0.089 118.545 118.600 -0.240 0.000 2.462 101 c HA -0.132 4.435 4.570 -0.004 0.000 0.278 101 c C 2.541 176.451 174.090 -0.299 0.000 1.253 101 c CA 0.251 56.381 56.329 -0.330 0.000 1.713 101 c CB -1.325 40.966 42.510 -0.365 0.000 2.049 101 c HN 0.261 nan 8.230 nan 0.000 0.477 102 F N 1.686 121.535 119.950 -0.169 0.000 2.063 102 F HA -0.125 4.399 4.527 -0.004 0.000 0.298 102 F C 2.276 178.110 175.800 0.057 0.000 1.109 102 F CA 1.796 59.755 58.000 -0.069 0.000 1.212 102 F CB -1.207 37.605 39.000 -0.314 0.000 0.973 102 F HN 0.220 nan 8.300 nan 0.000 0.480 103 L N -0.604 120.762 121.223 0.239 0.000 2.083 103 L HA -0.244 4.093 4.340 -0.004 0.000 0.209 103 L C 2.372 179.280 176.870 0.063 0.000 1.083 103 L CA 1.652 56.563 54.840 0.120 0.000 0.752 103 L CB -0.963 41.114 42.059 0.030 0.000 0.899 103 L HN 0.256 nan 8.230 nan 0.000 0.433 104 Q N -0.533 119.234 119.800 -0.055 0.000 2.437 104 Q HA -0.184 4.153 4.340 -0.004 0.000 0.210 104 Q C 1.379 177.340 176.000 -0.065 0.000 0.972 104 Q CA 1.003 56.738 55.803 -0.114 0.000 0.903 104 Q CB 0.175 28.754 28.738 -0.265 0.000 0.967 104 Q HN 0.574 nan 8.270 nan 0.000 0.486 105 H N -0.374 118.761 119.070 0.109 0.000 2.586 105 H HA 0.264 4.817 4.556 -0.004 0.000 0.273 105 H C -0.253 175.124 175.328 0.083 0.000 0.997 105 H CA -0.055 56.053 56.048 0.099 0.000 1.177 105 H CB 0.379 30.214 29.762 0.120 0.000 1.471 105 H HN 0.068 nan 8.280 nan 0.000 0.538 106 K N 2.072 122.572 120.400 0.167 0.000 2.412 106 K HA -0.022 4.295 4.320 -0.004 0.000 0.284 106 K C -0.176 176.498 176.600 0.123 0.000 1.046 106 K CA 0.040 56.366 56.287 0.065 0.000 0.999 106 K CB 0.559 32.987 32.500 -0.120 0.000 0.941 106 K HN 0.032 nan 8.250 nan 0.000 0.474 107 D N 2.636 123.077 120.400 0.068 0.000 2.280 107 D HA 0.040 4.678 4.640 -0.004 0.000 0.243 107 D C 0.245 176.576 176.300 0.050 0.000 1.129 107 D CA -0.195 53.841 54.000 0.059 0.000 0.848 107 D CB 0.993 41.805 40.800 0.021 0.000 1.107 107 D HN 0.419 nan 8.370 nan 0.000 0.471 108 D N 2.551 122.993 120.400 0.070 0.000 2.317 108 D HA -0.096 4.541 4.640 -0.004 0.000 0.211 108 D C 0.077 176.362 176.300 -0.026 0.000 0.966 108 D CA 0.670 54.697 54.000 0.045 0.000 0.876 108 D CB 0.299 41.118 40.800 0.031 0.000 0.927 108 D HN 0.387 nan 8.370 nan 0.000 0.519 109 N N 0.400 119.083 118.700 -0.028 0.000 2.725 109 N HA 0.152 4.889 4.740 -0.004 0.000 0.248 109 N C -2.838 172.645 175.510 -0.045 0.000 1.402 109 N CA -1.154 51.866 53.050 -0.051 0.000 0.766 109 N CB 1.505 39.968 38.487 -0.039 0.000 1.223 109 N HN -0.214 nan 8.380 nan 0.000 0.515 110 P HA 0.195 nan 4.420 nan 0.000 0.275 110 P C -1.001 176.273 177.300 -0.044 0.000 1.228 110 P CA -0.320 62.753 63.100 -0.046 0.000 0.786 110 P CB 0.612 32.274 31.700 -0.063 0.000 0.927 111 N N 2.833 121.517 118.700 -0.027 0.000 2.663 111 N HA 0.207 4.945 4.740 -0.004 0.000 0.250 111 N C -0.366 175.133 175.510 -0.018 0.000 1.129 111 N CA 0.124 53.161 53.050 -0.022 0.000 0.995 111 N CB -0.257 38.221 38.487 -0.014 0.000 1.324 111 N HN 0.365 nan 8.380 nan 0.000 0.512 112 L N 1.493 122.698 121.223 -0.030 0.000 2.342 112 L HA 0.546 4.883 4.340 -0.004 0.000 0.271 112 L C -1.790 175.067 176.870 -0.022 0.000 1.008 112 L CA -1.930 52.894 54.840 -0.027 0.000 0.818 112 L CB 1.207 43.233 42.059 -0.055 0.000 1.296 112 L HN 0.106 nan 8.230 nan 0.000 0.427 113 P HA 0.062 nan 4.420 nan 0.000 0.269 113 P C -0.786 176.509 177.300 -0.009 0.000 1.211 113 P CA -0.468 62.629 63.100 -0.004 0.000 0.781 113 P CB 0.369 32.073 31.700 0.007 0.000 0.877 114 R N 2.026 122.525 120.500 -0.003 0.000 2.442 114 R HA 0.153 4.490 4.340 -0.004 0.000 0.291 114 R C -0.624 175.681 176.300 0.008 0.000 1.069 114 R CA -0.191 55.910 56.100 0.001 0.000 1.022 114 R CB -0.546 29.759 30.300 0.007 0.000 0.976 114 R HN 0.291 nan 8.270 nan 0.000 0.443 115 L N 6.449 127.677 121.223 0.008 0.000 2.415 115 L HA 0.218 4.555 4.340 -0.004 0.000 0.269 115 L C -0.660 176.231 176.870 0.036 0.000 1.244 115 L CA 0.292 55.141 54.840 0.016 0.000 1.113 115 L CB 0.260 42.324 42.059 0.008 0.000 1.352 115 L HN 0.485 nan 8.230 nan 0.000 0.433 116 V N 6.192 126.128 119.914 0.037 0.000 2.546 116 V HA 0.407 4.524 4.120 -0.004 0.000 0.284 116 V C 0.383 176.515 176.094 0.063 0.000 1.050 116 V CA -0.582 61.747 62.300 0.047 0.000 0.981 116 V CB 1.064 32.911 31.823 0.039 0.000 0.990 116 V HN 0.872 nan 8.190 nan 0.000 0.474 117 R N 6.137 126.683 120.500 0.077 0.000 2.404 117 R HA 0.696 5.033 4.340 -0.004 0.000 0.291 117 R C -2.587 173.768 176.300 0.091 0.000 1.025 117 R CA -1.447 54.714 56.100 0.102 0.000 0.991 117 R CB 0.394 30.770 30.300 0.127 0.000 1.053 117 R HN 0.500 nan 8.270 nan 0.000 0.479 118 P HA 0.135 nan 4.420 nan 0.000 0.282 118 P C -0.804 176.548 177.300 0.088 0.000 1.287 118 P CA -0.792 62.363 63.100 0.093 0.000 0.792 118 P CB 0.493 32.258 31.700 0.109 0.000 1.163 119 E N -0.724 119.517 120.200 0.069 0.000 2.459 119 E HA -0.034 4.313 4.350 -0.004 0.000 0.264 119 E C 1.091 177.730 176.600 0.065 0.000 1.055 119 E CA -0.146 56.286 56.400 0.053 0.000 0.957 119 E CB 0.355 30.081 29.700 0.044 0.000 0.952 119 E HN 0.068 nan 8.360 nan 0.000 0.448 120 V N 2.583 122.519 119.914 0.037 0.000 2.490 120 V HA -0.260 3.858 4.120 -0.004 0.000 0.250 120 V C 1.151 177.268 176.094 0.038 0.000 1.061 120 V CA 2.265 64.577 62.300 0.020 0.000 1.064 120 V CB -0.577 31.225 31.823 -0.036 0.000 0.670 120 V HN 0.632 nan 8.190 nan 0.000 0.461 121 D N -0.017 120.405 120.400 0.038 0.000 2.178 121 D HA -0.132 4.505 4.640 -0.004 0.000 0.202 121 D C 1.995 178.333 176.300 0.064 0.000 0.974 121 D CA 1.037 55.065 54.000 0.046 0.000 0.841 121 D CB -0.286 40.536 40.800 0.036 0.000 0.953 121 D HN 0.337 nan 8.370 nan 0.000 0.478 122 V N 0.581 120.539 119.914 0.073 0.000 2.307 122 V HA -0.228 3.889 4.120 -0.004 0.000 0.245 122 V C 2.296 178.456 176.094 0.110 0.000 1.045 122 V CA 1.458 63.811 62.300 0.088 0.000 1.024 122 V CB -0.485 31.393 31.823 0.091 0.000 0.651 122 V HN 0.228 nan 8.190 nan 0.000 0.449 123 M N -0.956 118.733 119.600 0.149 0.000 2.229 123 M HA -0.169 4.308 4.480 -0.004 0.000 0.264 123 M C 2.208 178.508 176.300 0.001 0.000 1.063 123 M CA 1.478 56.891 55.300 0.188 0.000 1.114 123 M CB -0.591 32.276 32.600 0.445 0.000 1.387 123 M HN 0.389 nan 8.290 nan 0.000 0.420 124 c N -0.469 118.169 118.600 0.063 0.000 2.495 124 c HA -0.007 4.560 4.570 -0.004 0.000 0.275 124 c C 2.783 176.943 174.090 0.115 0.000 1.392 124 c CA 0.781 57.147 56.329 0.061 0.000 1.766 124 c CB -0.765 41.808 42.510 0.104 0.000 1.933 124 c HN 0.528 nan 8.230 nan 0.000 0.519 125 T N 1.159 115.770 114.554 0.094 0.000 2.732 125 T HA -0.052 4.296 4.350 -0.004 0.000 0.261 125 T C 2.200 176.934 174.700 0.056 0.000 1.040 125 T CA 1.590 63.750 62.100 0.101 0.000 1.145 125 T CB -0.360 68.553 68.868 0.075 0.000 0.866 125 T HN 0.577 nan 8.240 nan 0.000 0.427 126 A N 1.447 124.279 122.820 0.020 0.000 1.865 126 A HA -0.092 4.225 4.320 -0.004 0.000 0.217 126 A C 2.023 179.541 177.584 -0.109 0.000 1.191 126 A CA 1.714 53.759 52.037 0.013 0.000 0.623 126 A CB -1.181 17.897 19.000 0.130 0.000 0.826 126 A HN 0.469 nan 8.150 nan 0.000 0.444 127 F N 0.505 120.071 119.950 -0.639 0.000 2.120 127 F HA -0.273 4.251 4.527 -0.005 0.000 0.300 127 F C 2.183 177.726 175.800 -0.428 0.000 1.095 127 F CA 2.453 59.947 58.000 -0.843 0.000 1.249 127 F CB -0.669 37.646 39.000 -1.143 0.000 0.995 127 F HN 0.459 nan 8.300 nan 0.000 0.480 128 H N -1.580 117.392 119.070 -0.164 0.000 2.462 128 H HA -0.076 4.478 4.556 -0.005 0.000 0.292 128 H C 1.790 177.023 175.328 -0.159 0.000 1.049 128 H CA 1.146 57.078 56.048 -0.192 0.000 1.334 128 H CB -0.110 29.622 29.762 -0.049 0.000 1.404 128 H HN 0.399 nan 8.280 nan 0.000 0.544 129 D N 0.088 120.484 120.400 -0.007 0.000 2.075 129 D HA -0.130 4.508 4.640 -0.004 0.000 0.196 129 D C 0.450 176.725 176.300 -0.041 0.000 0.985 129 D CA 0.884 54.880 54.000 -0.006 0.000 0.834 129 D CB 0.271 41.080 40.800 0.016 0.000 0.987 129 D HN 0.065 nan 8.370 nan 0.000 0.452 130 N N -0.146 118.523 118.700 -0.052 0.000 2.617 130 N HA 0.056 4.793 4.740 -0.004 0.000 0.263 130 N C -0.259 175.204 175.510 -0.078 0.000 1.074 130 N CA -0.179 52.844 53.050 -0.045 0.000 0.841 130 N CB 1.272 39.769 38.487 0.015 0.000 1.221 130 N HN 0.194 nan 8.380 nan 0.000 0.529 131 E N 2.043 122.123 120.200 -0.200 0.000 2.085 131 E HA -0.242 4.106 4.350 -0.004 0.000 0.194 131 E C 1.005 177.583 176.600 -0.036 0.000 0.994 131 E CA 1.395 57.617 56.400 -0.298 0.000 0.801 131 E CB 0.262 29.704 29.700 -0.430 0.000 0.743 131 E HN 0.715 nan 8.360 nan 0.000 0.453 132 E N -0.605 119.595 120.200 0.000 0.000 2.047 132 E HA -0.149 4.199 4.350 -0.004 0.000 0.191 132 E C 1.878 178.546 176.600 0.114 0.000 0.987 132 E CA 1.928 58.365 56.400 0.061 0.000 0.799 132 E CB -0.034 29.695 29.700 0.047 0.000 0.752 132 E HN 0.177 nan 8.360 nan 0.000 0.449 133 T N 0.252 114.877 114.554 0.118 0.000 2.821 133 T HA -0.116 4.231 4.350 -0.004 0.000 0.267 133 T C 1.342 176.101 174.700 0.098 0.000 1.046 133 T CA 1.025 63.215 62.100 0.149 0.000 1.139 133 T CB -0.424 68.526 68.868 0.137 0.000 0.871 133 T HN 0.239 nan 8.240 nan 0.000 0.454 134 F N 1.797 121.738 119.950 -0.015 0.000 2.126 134 F HA -0.048 4.476 4.527 -0.005 0.000 0.299 134 F C 1.834 177.652 175.800 0.029 0.000 1.096 134 F CA 1.235 59.220 58.000 -0.024 0.000 1.255 134 F CB -0.360 38.636 39.000 -0.007 0.000 0.997 134 F HN 0.050 nan 8.300 nan 0.000 0.479 135 L N -0.247 121.099 121.223 0.204 0.000 2.156 135 L HA -0.170 4.167 4.340 -0.004 0.000 0.208 135 L C 2.376 179.311 176.870 0.108 0.000 1.095 135 L CA 1.156 56.093 54.840 0.162 0.000 0.770 135 L CB -0.650 41.539 42.059 0.217 0.000 0.914 135 L HN 0.059 nan 8.230 nan 0.000 0.439 136 K N 0.407 120.876 120.400 0.115 0.000 2.026 136 K HA -0.214 4.104 4.320 -0.004 0.000 0.208 136 K C 2.179 178.866 176.600 0.146 0.000 1.048 136 K CA 1.365 57.776 56.287 0.206 0.000 0.929 136 K CB -0.031 32.714 32.500 0.409 0.000 0.713 136 K HN -0.009 nan 8.250 nan 0.000 0.439 137 K N -0.015 120.246 120.400 -0.232 0.000 2.152 137 K HA -0.205 4.112 4.320 -0.004 0.000 0.206 137 K C 1.957 178.472 176.600 -0.142 0.000 1.048 137 K CA 1.283 57.288 56.287 -0.471 0.000 0.933 137 K CB -0.243 31.868 32.500 -0.648 0.000 0.721 137 K HN 0.171 nan 8.250 nan 0.000 0.447 138 Y N 0.711 120.826 120.300 -0.308 0.000 2.114 138 Y HA -0.175 4.372 4.550 -0.005 0.000 0.284 138 Y C 1.504 177.242 175.900 -0.270 0.000 1.143 138 Y CA 1.625 59.495 58.100 -0.384 0.000 1.135 138 Y CB -0.260 37.837 38.460 -0.605 0.000 0.980 138 Y HN -0.043 nan 8.280 nan 0.000 0.499 139 L N -0.990 120.081 121.223 -0.253 0.000 2.012 139 L HA -0.259 4.078 4.340 -0.004 0.000 0.210 139 L C 2.425 179.150 176.870 -0.242 0.000 1.073 139 L CA 1.919 56.563 54.840 -0.328 0.000 0.748 139 L CB -1.052 40.939 42.059 -0.114 0.000 0.891 139 L HN 0.350 nan 8.230 nan 0.000 0.431 140 Y N 1.151 121.354 120.300 -0.161 0.000 2.128 140 Y HA -0.278 4.269 4.550 -0.005 0.000 0.284 140 Y C 2.567 178.393 175.900 -0.124 0.000 1.154 140 Y CA 1.759 59.824 58.100 -0.058 0.000 1.149 140 Y CB -0.115 38.462 38.460 0.195 0.000 0.976 140 Y HN 0.149 nan 8.280 nan 0.000 0.505 141 E N -0.134 119.889 120.200 -0.295 0.000 2.208 141 E HA -0.113 4.234 4.350 -0.004 0.000 0.193 141 E C 2.227 178.614 176.600 -0.354 0.000 0.988 141 E CA 0.894 57.063 56.400 -0.384 0.000 0.828 141 E CB 0.010 29.582 29.700 -0.215 0.000 0.763 141 E HN 0.522 nan 8.360 nan 0.000 0.478 142 I N 0.820 121.124 120.570 -0.443 0.000 2.277 142 I HA -0.092 4.075 4.170 -0.004 0.000 0.243 142 I C 2.433 178.417 176.117 -0.222 0.000 1.094 142 I CA 0.756 61.829 61.300 -0.379 0.000 1.393 142 I CB -1.421 36.125 38.000 -0.757 0.000 1.078 142 I HN -0.083 nan 8.210 nan 0.000 0.417 143 A N 2.007 124.637 122.820 -0.317 0.000 1.940 143 A HA -0.211 4.106 4.320 -0.004 0.000 0.219 143 A C 2.334 179.793 177.584 -0.210 0.000 1.176 143 A CA 1.776 53.670 52.037 -0.238 0.000 0.631 143 A CB -0.664 18.182 19.000 -0.256 0.000 0.814 143 A HN 0.565 nan 8.150 nan 0.000 0.446 144 R N -1.189 119.138 120.500 -0.289 0.000 2.313 144 R HA 0.152 4.489 4.340 -0.004 0.000 0.199 144 R C 1.499 177.663 176.300 -0.227 0.000 0.958 144 R CA 0.784 56.722 56.100 -0.270 0.000 1.047 144 R CB -0.137 29.939 30.300 -0.373 0.000 0.955 144 R HN 0.426 nan 8.270 nan 0.000 0.481 145 R N -0.400 119.970 120.500 -0.218 0.000 2.279 145 R HA 0.182 4.519 4.340 -0.004 0.000 0.195 145 R C 0.022 176.014 176.300 -0.513 0.000 0.905 145 R CA 0.224 56.136 56.100 -0.313 0.000 1.044 145 R CB 0.568 30.698 30.300 -0.284 0.000 1.056 145 R HN 0.322 nan 8.270 nan 0.000 0.535 146 H N 1.043 120.090 119.070 -0.039 0.000 2.348 146 H HA 0.170 4.723 4.556 -0.004 0.000 0.232 146 H C -1.977 173.372 175.328 0.036 0.000 1.419 146 H CA -1.738 54.343 56.048 0.055 0.000 1.416 146 H CB 1.351 31.231 29.762 0.197 0.000 1.510 146 H HN 0.034 nan 8.280 nan 0.000 0.507 147 P HA -0.178 nan 4.420 nan 0.000 0.226 147 P C 0.320 177.439 177.300 -0.301 0.000 1.146 147 P CA 1.247 64.234 63.100 -0.190 0.000 0.773 147 P CB 0.106 31.654 31.700 -0.254 0.000 0.772 148 Y N -2.662 117.655 120.300 0.027 0.000 2.584 148 Y HA 0.292 4.839 4.550 -0.005 0.000 0.254 148 Y C 0.979 176.926 175.900 0.079 0.000 1.177 148 Y CA -1.043 57.072 58.100 0.025 0.000 1.216 148 Y CB -0.344 38.108 38.460 -0.014 0.000 1.172 148 Y HN -0.221 nan 8.280 nan 0.000 0.529 149 F N 0.851 120.865 119.950 0.107 0.000 2.602 149 F HA -0.025 4.499 4.527 -0.005 0.000 0.367 149 F C 0.249 176.137 175.800 0.147 0.000 1.126 149 F CA -0.742 57.309 58.000 0.087 0.000 1.321 149 F CB 0.223 39.215 39.000 -0.012 0.000 1.094 149 F HN 0.034 nan 8.300 nan 0.000 0.594 150 Y N 6.648 127.153 120.300 0.342 0.000 2.637 150 Y HA 0.304 4.851 4.550 -0.005 0.000 0.350 150 Y C 0.982 177.114 175.900 0.385 0.000 1.069 150 Y CA -0.770 57.514 58.100 0.307 0.000 1.397 150 Y CB 0.230 38.827 38.460 0.228 0.000 1.163 150 Y HN 0.747 nan 8.280 nan 0.000 0.527 151 A N 7.846 130.768 122.820 0.169 0.000 1.859 151 A HA -0.212 4.105 4.320 -0.004 0.000 0.218 151 A C -0.318 177.200 177.584 -0.111 0.000 1.209 151 A CA 2.062 54.089 52.037 -0.017 0.000 0.639 151 A CB -1.807 17.158 19.000 -0.057 0.000 0.835 151 A HN 0.652 nan 8.150 nan 0.000 0.450 152 P HA -0.159 nan 4.420 nan 0.000 0.216 152 P C 1.283 178.561 177.300 -0.037 0.000 1.153 152 P CA 1.400 64.375 63.100 -0.209 0.000 0.858 152 P CB -0.060 31.431 31.700 -0.348 0.000 0.789 153 E N -0.883 119.312 120.200 -0.008 0.000 2.153 153 E HA -0.146 4.201 4.350 -0.004 0.000 0.194 153 E C 1.825 178.771 176.600 0.576 0.000 0.988 153 E CA 0.766 57.432 56.400 0.444 0.000 0.811 153 E CB -0.858 29.263 29.700 0.702 0.000 0.746 153 E HN 0.172 nan 8.360 nan 0.000 0.466 154 L N 0.669 122.026 121.223 0.224 0.000 2.141 154 L HA -0.075 4.262 4.340 -0.004 0.000 0.209 154 L C 2.073 178.989 176.870 0.078 0.000 1.094 154 L CA 1.185 55.956 54.840 -0.116 0.000 0.763 154 L CB -0.478 41.287 42.059 -0.489 0.000 0.908 154 L HN 0.071 nan 8.230 nan 0.000 0.437 155 L N -2.025 119.256 121.223 0.097 0.000 2.093 155 L HA -0.198 4.139 4.340 -0.004 0.000 0.208 155 L C 2.423 179.408 176.870 0.192 0.000 1.085 155 L CA 1.086 55.989 54.840 0.105 0.000 0.755 155 L CB -0.716 41.378 42.059 0.058 0.000 0.904 155 L HN 0.275 nan 8.230 nan 0.000 0.435 156 F N 0.729 120.724 119.950 0.076 0.000 2.113 156 F HA -0.179 4.346 4.527 -0.003 0.000 0.297 156 F C 2.177 177.969 175.800 -0.013 0.000 1.103 156 F CA 1.188 59.185 58.000 -0.004 0.000 1.248 156 F CB -0.581 38.385 39.000 -0.057 0.000 0.999 156 F HN -0.123 nan 8.300 nan 0.000 0.475 157 F N 0.392 120.313 119.950 -0.047 0.000 2.250 157 F HA -0.118 4.407 4.527 -0.003 0.000 0.301 157 F C 2.486 178.273 175.800 -0.021 0.000 1.077 157 F CA 1.231 59.181 58.000 -0.083 0.000 1.348 157 F CB -1.002 38.037 39.000 0.065 0.000 1.040 157 F HN 0.075 nan 8.300 nan 0.000 0.509 158 A N -0.955 121.988 122.820 0.206 0.000 2.123 158 A HA -0.068 4.249 4.320 -0.004 0.000 0.214 158 A C 2.130 179.753 177.584 0.064 0.000 1.152 158 A CA 0.850 52.978 52.037 0.152 0.000 0.728 158 A CB -0.420 18.702 19.000 0.203 0.000 0.814 158 A HN 0.317 nan 8.150 nan 0.000 0.464 159 K N -0.151 120.243 120.400 -0.010 0.000 2.044 159 K HA -0.028 4.290 4.320 -0.004 0.000 0.204 159 K C 2.264 178.811 176.600 -0.088 0.000 1.049 159 K CA 0.808 57.078 56.287 -0.027 0.000 0.945 159 K CB -0.131 32.355 32.500 -0.022 0.000 0.724 159 K HN 0.362 nan 8.250 nan 0.000 0.440 160 R N -0.519 119.834 120.500 -0.246 0.000 2.080 160 R HA -0.197 4.141 4.340 -0.004 0.000 0.236 160 R C 2.339 178.590 176.300 -0.081 0.000 1.137 160 R CA 1.860 57.816 56.100 -0.239 0.000 0.943 160 R CB -0.729 29.311 30.300 -0.435 0.000 0.846 160 R HN 0.340 nan 8.270 nan 0.000 0.431 161 Y N 2.079 122.267 120.300 -0.187 0.000 2.384 161 Y HA -0.228 4.319 4.550 -0.005 0.000 0.289 161 Y C 2.391 178.275 175.900 -0.027 0.000 1.152 161 Y CA 1.534 59.538 58.100 -0.159 0.000 1.258 161 Y CB 0.001 38.172 38.460 -0.482 0.000 0.979 161 Y HN -0.054 nan 8.280 nan 0.000 0.549 162 K N -0.167 120.280 120.400 0.078 0.000 2.044 162 K HA -0.062 4.255 4.320 -0.004 0.000 0.204 162 K C 2.313 178.914 176.600 0.001 0.000 1.049 162 K CA 0.951 57.294 56.287 0.094 0.000 0.945 162 K CB -0.357 32.238 32.500 0.159 0.000 0.724 162 K HN 0.285 nan 8.250 nan 0.000 0.440 163 A N 1.225 124.035 122.820 -0.016 0.000 1.978 163 A HA -0.144 4.174 4.320 -0.004 0.000 0.220 163 A C 2.277 179.788 177.584 -0.122 0.000 1.170 163 A CA 1.940 53.950 52.037 -0.045 0.000 0.636 163 A CB -0.742 18.226 19.000 -0.054 0.000 0.810 163 A HN 0.498 nan 8.150 nan 0.000 0.448 164 A N -1.245 121.464 122.820 -0.186 0.000 1.902 164 A HA 0.016 4.333 4.320 -0.004 0.000 0.217 164 A C 1.944 179.229 177.584 -0.498 0.000 1.181 164 A CA 1.497 53.344 52.037 -0.316 0.000 0.623 164 A CB -0.679 18.103 19.000 -0.362 0.000 0.818 164 A HN 0.467 nan 8.150 nan 0.000 0.443 165 F N 0.437 120.005 119.950 -0.636 0.000 2.206 165 F HA -0.085 4.439 4.527 -0.005 0.000 0.298 165 F C 2.755 178.137 175.800 -0.696 0.000 1.090 165 F CA 1.785 59.227 58.000 -0.930 0.000 1.323 165 F CB -0.745 37.151 39.000 -1.840 0.000 1.028 165 F HN 0.128 nan 8.300 nan 0.000 0.492 166 T N -0.723 113.667 114.554 -0.273 0.000 2.708 166 T HA -0.245 4.102 4.350 -0.004 0.000 0.266 166 T C 1.913 176.620 174.700 0.012 0.000 1.037 166 T CA 1.758 63.894 62.100 0.060 0.000 1.146 166 T CB -0.279 68.676 68.868 0.144 0.000 0.865 166 T HN 0.363 nan 8.240 nan 0.000 0.435 167 E N -0.231 119.926 120.200 -0.071 0.000 2.076 167 E HA -0.088 4.260 4.350 -0.004 0.000 0.190 167 E C 1.998 178.541 176.600 -0.095 0.000 0.979 167 E CA 0.874 57.235 56.400 -0.065 0.000 0.807 167 E CB -0.107 29.547 29.700 -0.077 0.000 0.761 167 E HN 0.442 nan 8.360 nan 0.000 0.454 168 c N 0.467 118.957 118.600 -0.182 0.000 2.472 168 c HA 0.029 4.597 4.570 -0.004 0.000 0.278 168 c C 2.441 176.442 174.090 -0.148 0.000 1.447 168 c CA -0.117 56.094 56.329 -0.196 0.000 1.773 168 c CB -1.056 41.267 42.510 -0.311 0.000 1.793 168 c HN 0.609 nan 8.230 nan 0.000 0.544 169 c N 0.279 118.819 118.600 -0.100 0.000 2.539 169 c HA 0.011 4.578 4.570 -0.004 0.000 0.268 169 c C 2.464 176.599 174.090 0.075 0.000 1.395 169 c CA 0.568 56.909 56.329 0.020 0.000 1.757 169 c CB -0.982 41.617 42.510 0.148 0.000 1.851 169 c HN 0.619 nan 8.230 nan 0.000 0.545 170 Q N 0.909 120.733 119.800 0.040 0.000 2.392 170 Q HA 0.313 4.651 4.340 -0.004 0.000 0.219 170 Q C 1.216 177.213 176.000 -0.004 0.000 0.895 170 Q CA 0.325 56.144 55.803 0.027 0.000 0.929 170 Q CB -0.557 28.200 28.738 0.032 0.000 1.077 170 Q HN 0.596 nan 8.270 nan 0.000 0.532 171 A N 0.929 123.736 122.820 -0.022 0.000 2.475 171 A HA 0.340 4.657 4.320 -0.004 0.000 0.239 171 A C 1.341 178.909 177.584 -0.027 0.000 1.087 171 A CA 0.743 52.761 52.037 -0.032 0.000 0.779 171 A CB 0.199 19.168 19.000 -0.052 0.000 1.036 171 A HN 0.285 nan 8.150 nan 0.000 0.506 172 A N -0.101 122.703 122.820 -0.026 0.000 1.874 172 A HA 0.064 4.381 4.320 -0.004 0.000 0.214 172 A C 1.021 178.589 177.584 -0.026 0.000 1.189 172 A CA 1.576 53.600 52.037 -0.022 0.000 0.615 172 A CB -0.175 18.814 19.000 -0.019 0.000 0.830 172 A HN 0.761 nan 8.150 nan 0.000 0.443 173 D N -0.269 120.112 120.400 -0.032 0.000 2.485 173 D HA 0.268 4.905 4.640 -0.004 0.000 0.221 173 D C 0.723 176.992 176.300 -0.051 0.000 1.112 173 D CA -0.151 53.827 54.000 -0.036 0.000 0.911 173 D CB 0.618 41.398 40.800 -0.034 0.000 1.019 173 D HN 0.262 nan 8.370 nan 0.000 0.516 174 K N 1.722 122.091 120.400 -0.052 0.000 1.991 174 K HA -0.151 4.167 4.320 -0.004 0.000 0.212 174 K C 1.836 178.378 176.600 -0.096 0.000 1.049 174 K CA 1.387 57.628 56.287 -0.076 0.000 0.932 174 K CB -0.082 32.382 32.500 -0.060 0.000 0.717 174 K HN 0.369 nan 8.250 nan 0.000 0.441 175 A N 1.309 124.086 122.820 -0.072 0.000 2.084 175 A HA -0.149 4.168 4.320 -0.004 0.000 0.221 175 A C 2.219 179.758 177.584 -0.074 0.000 1.161 175 A CA 1.941 53.935 52.037 -0.072 0.000 0.653 175 A CB -0.549 18.425 19.000 -0.044 0.000 0.802 175 A HN 0.407 nan 8.150 nan 0.000 0.457 176 A N -1.897 120.882 122.820 -0.068 0.000 2.081 176 A HA 0.053 4.371 4.320 -0.004 0.000 0.214 176 A C 2.193 179.731 177.584 -0.076 0.000 1.158 176 A CA 1.167 53.167 52.037 -0.061 0.000 0.724 176 A CB -0.936 18.037 19.000 -0.045 0.000 0.826 176 A HN 0.750 nan 8.150 nan 0.000 0.463 177 c N -1.285 117.256 118.600 -0.099 0.000 2.602 177 c HA 0.132 4.700 4.570 -0.004 0.000 0.282 177 c C 2.314 176.305 174.090 -0.164 0.000 1.313 177 c CA 1.013 57.272 56.329 -0.117 0.000 1.699 177 c CB -1.148 41.290 42.510 -0.121 0.000 2.124 177 c HN 0.502 nan 8.230 nan 0.000 0.509 178 L N 1.576 122.667 121.223 -0.219 0.000 1.971 178 L HA -0.119 4.219 4.340 -0.004 0.000 0.215 178 L C 2.455 179.181 176.870 -0.241 0.000 1.072 178 L CA 2.150 56.798 54.840 -0.321 0.000 0.758 178 L CB -1.048 40.777 42.059 -0.391 0.000 0.889 178 L HN 0.431 nan 8.230 nan 0.000 0.433 179 L N 0.015 121.145 121.223 -0.155 0.000 2.013 179 L HA -0.181 4.156 4.340 -0.004 0.000 0.212 179 L C -0.204 176.629 176.870 -0.062 0.000 1.073 179 L CA 1.755 56.540 54.840 -0.092 0.000 0.753 179 L CB -2.433 39.592 42.059 -0.056 0.000 0.890 179 L HN 0.325 nan 8.230 nan 0.000 0.432 180 P HA -0.129 nan 4.420 nan 0.000 0.226 180 P C 1.085 178.365 177.300 -0.034 0.000 1.153 180 P CA 1.277 64.356 63.100 -0.035 0.000 0.777 180 P CB 0.026 31.705 31.700 -0.035 0.000 0.794 181 K N -0.250 120.108 120.400 -0.071 0.000 2.098 181 K HA 0.088 4.405 4.320 -0.004 0.000 0.203 181 K C 2.292 178.877 176.600 -0.025 0.000 1.051 181 K CA 0.733 56.978 56.287 -0.070 0.000 0.957 181 K CB -0.418 31.997 32.500 -0.142 0.000 0.738 181 K HN 0.152 nan 8.250 nan 0.000 0.447 182 L N 1.350 122.549 121.223 -0.040 0.000 2.083 182 L HA -0.198 4.140 4.340 -0.004 0.000 0.209 182 L C 1.660 178.585 176.870 0.091 0.000 1.083 182 L CA 1.154 56.026 54.840 0.055 0.000 0.752 182 L CB -0.536 41.551 42.059 0.046 0.000 0.899 182 L HN 0.156 nan 8.230 nan 0.000 0.433 183 D N -0.216 120.216 120.400 0.053 0.000 2.144 183 D HA -0.190 4.448 4.640 -0.004 0.000 0.200 183 D C 2.087 178.436 176.300 0.082 0.000 0.978 183 D CA 0.957 54.996 54.000 0.065 0.000 0.833 183 D CB 0.069 40.894 40.800 0.042 0.000 0.961 183 D HN 0.334 nan 8.370 nan 0.000 0.470 184 E N 0.280 120.523 120.200 0.072 0.000 2.028 184 E HA -0.126 4.222 4.350 -0.004 0.000 0.191 184 E C 2.253 178.940 176.600 0.146 0.000 0.988 184 E CA 0.497 56.949 56.400 0.088 0.000 0.799 184 E CB -0.095 29.638 29.700 0.054 0.000 0.755 184 E HN 0.206 nan 8.360 nan 0.000 0.447 185 L N 0.524 121.846 121.223 0.166 0.000 2.042 185 L HA -0.205 4.133 4.340 -0.004 0.000 0.210 185 L C 2.998 180.035 176.870 0.279 0.000 1.076 185 L CA 1.672 56.679 54.840 0.279 0.000 0.749 185 L CB -0.481 41.752 42.059 0.290 0.000 0.893 185 L HN 0.197 nan 8.230 nan 0.000 0.432 186 R N 0.412 121.030 120.500 0.197 0.000 2.081 186 R HA -0.198 4.139 4.340 -0.004 0.000 0.235 186 R C 1.683 178.054 176.300 0.120 0.000 1.131 186 R CA 2.122 58.309 56.100 0.145 0.000 0.960 186 R CB -0.181 30.195 30.300 0.127 0.000 0.856 186 R HN 0.280 nan 8.270 nan 0.000 0.436 187 D N -0.114 120.364 120.400 0.130 0.000 2.178 187 D HA -0.117 4.520 4.640 -0.004 0.000 0.202 187 D C 1.537 177.924 176.300 0.144 0.000 0.974 187 D CA 1.170 55.241 54.000 0.118 0.000 0.841 187 D CB 0.132 40.996 40.800 0.107 0.000 0.953 187 D HN 0.395 nan 8.370 nan 0.000 0.478 188 E N -0.388 119.945 120.200 0.223 0.000 2.158 188 E HA -0.028 4.319 4.350 -0.004 0.000 0.191 188 E C 2.184 178.942 176.600 0.264 0.000 0.982 188 E CA 0.609 57.211 56.400 0.337 0.000 0.823 188 E CB 0.002 30.021 29.700 0.531 0.000 0.766 188 E HN 0.292 nan 8.360 nan 0.000 0.468 189 G N 1.496 110.335 108.800 0.064 0.000 2.421 189 G HA2 -0.285 3.672 3.960 -0.004 0.000 0.216 189 G HA3 -0.285 3.672 3.960 -0.004 0.000 0.216 189 G C 1.451 176.232 174.900 -0.198 0.000 1.171 189 G CA 0.781 45.721 45.100 -0.268 0.000 0.775 189 G HN 0.132 nan 8.290 nan 0.000 0.543 190 K N 0.628 120.969 120.400 -0.099 0.000 2.057 190 K HA 0.093 4.410 4.320 -0.004 0.000 0.207 190 K C 2.904 179.471 176.600 -0.056 0.000 1.049 190 K CA 0.991 57.235 56.287 -0.072 0.000 0.931 190 K CB -0.236 32.280 32.500 0.027 0.000 0.714 190 K HN 0.256 nan 8.250 nan 0.000 0.440 191 A N 0.694 123.523 122.820 0.016 0.000 1.972 191 A HA -0.185 4.133 4.320 -0.004 0.000 0.219 191 A C 2.215 179.797 177.584 -0.004 0.000 1.169 191 A CA 2.023 54.093 52.037 0.055 0.000 0.635 191 A CB -0.544 18.532 19.000 0.127 0.000 0.810 191 A HN 0.256 nan 8.150 nan 0.000 0.446 192 S N -1.037 114.626 115.700 -0.060 0.000 2.362 192 S HA -0.107 4.361 4.470 -0.004 0.000 0.221 192 S C 2.360 176.702 174.600 -0.431 0.000 1.032 192 S CA 1.583 59.692 58.200 -0.152 0.000 0.973 192 S CB -0.439 62.710 63.200 -0.085 0.000 0.849 192 S HN 0.638 nan 8.310 nan 0.000 0.465 193 S N 0.921 116.220 115.700 -0.669 0.000 2.370 193 S HA -0.080 4.388 4.470 -0.004 0.000 0.226 193 S C 2.007 176.448 174.600 -0.264 0.000 1.033 193 S CA 1.613 59.432 58.200 -0.635 0.000 1.011 193 S CB -0.731 62.213 63.200 -0.427 0.000 0.852 193 S HN 0.643 nan 8.310 nan 0.000 0.457 194 A N 1.232 123.947 122.820 -0.175 0.000 1.873 194 A HA -0.020 4.297 4.320 -0.004 0.000 0.215 194 A C 2.172 179.660 177.584 -0.160 0.000 1.186 194 A CA 1.633 53.591 52.037 -0.132 0.000 0.616 194 A CB -0.770 18.165 19.000 -0.109 0.000 0.823 194 A HN 0.593 nan 8.150 nan 0.000 0.442 195 K N -0.990 119.322 120.400 -0.148 0.000 2.020 195 K HA -0.288 4.029 4.320 -0.004 0.000 0.212 195 K C 2.388 178.868 176.600 -0.200 0.000 1.050 195 K CA 2.131 58.333 56.287 -0.142 0.000 0.929 195 K CB -0.170 32.282 32.500 -0.079 0.000 0.714 195 K HN 0.452 nan 8.250 nan 0.000 0.443 196 Q N 0.730 120.403 119.800 -0.211 0.000 2.124 196 Q HA -0.175 4.162 4.340 -0.004 0.000 0.202 196 Q C 1.914 177.801 176.000 -0.189 0.000 0.977 196 Q CA 1.621 57.290 55.803 -0.224 0.000 0.850 196 Q CB -0.173 28.459 28.738 -0.177 0.000 0.901 196 Q HN 0.149 nan 8.270 nan 0.000 0.429 197 R N -0.209 120.190 120.500 -0.168 0.000 2.105 197 R HA -0.137 4.200 4.340 -0.004 0.000 0.239 197 R C 1.914 178.073 176.300 -0.234 0.000 1.135 197 R CA 1.426 57.411 56.100 -0.193 0.000 0.967 197 R CB -0.859 29.337 30.300 -0.173 0.000 0.861 197 R HN 0.428 nan 8.270 nan 0.000 0.442 198 L N 0.619 121.706 121.223 -0.227 0.000 2.201 198 L HA -0.064 4.273 4.340 -0.004 0.000 0.212 198 L C 1.425 178.130 176.870 -0.276 0.000 1.105 198 L CA 1.777 56.472 54.840 -0.241 0.000 0.775 198 L CB -0.223 41.686 42.059 -0.250 0.000 0.913 198 L HN 0.116 nan 8.230 nan 0.000 0.440 199 K N -1.293 118.922 120.400 -0.308 0.000 2.062 199 K HA -0.072 4.246 4.320 -0.004 0.000 0.205 199 K C 2.075 178.530 176.600 -0.242 0.000 1.051 199 K CA 1.469 57.563 56.287 -0.322 0.000 0.941 199 K CB -0.562 31.664 32.500 -0.456 0.000 0.719 199 K HN 0.403 nan 8.250 nan 0.000 0.440 200 c N 0.855 119.334 118.600 -0.201 0.000 2.432 200 c HA 0.015 4.582 4.570 -0.004 0.000 0.280 200 c C 2.852 176.867 174.090 -0.125 0.000 1.353 200 c CA 0.649 56.900 56.329 -0.130 0.000 1.766 200 c CB -0.797 41.676 42.510 -0.061 0.000 1.924 200 c HN 0.500 nan 8.230 nan 0.000 0.509 201 A N 0.525 123.254 122.820 -0.151 0.000 1.929 201 A HA -0.070 4.247 4.320 -0.004 0.000 0.216 201 A C 2.236 179.857 177.584 0.061 0.000 1.176 201 A CA 1.893 53.887 52.037 -0.071 0.000 0.628 201 A CB -0.594 18.359 19.000 -0.078 0.000 0.816 201 A HN 0.530 nan 8.150 nan 0.000 0.444 202 S N 0.263 115.978 115.700 0.025 0.000 2.348 202 S HA -0.118 4.350 4.470 -0.004 0.000 0.221 202 S C 1.862 176.556 174.600 0.157 0.000 1.033 202 S CA 1.472 59.744 58.200 0.121 0.000 1.010 202 S CB -0.510 62.698 63.200 0.013 0.000 0.891 202 S HN 0.505 nan 8.310 nan 0.000 0.442 203 L N 1.275 122.522 121.223 0.039 0.000 1.989 203 L HA -0.219 4.119 4.340 -0.004 0.000 0.211 203 L C 2.816 179.706 176.870 0.034 0.000 1.071 203 L CA 1.515 56.360 54.840 0.008 0.000 0.749 203 L CB -0.632 41.354 42.059 -0.122 0.000 0.890 203 L HN 0.397 nan 8.230 nan 0.000 0.431 204 Q N -0.632 119.181 119.800 0.022 0.000 2.123 204 Q HA -0.137 4.201 4.340 -0.004 0.000 0.199 204 Q C 2.122 178.109 176.000 -0.022 0.000 0.966 204 Q CA 0.941 56.755 55.803 0.018 0.000 0.845 204 Q CB 0.080 28.831 28.738 0.023 0.000 0.907 204 Q HN 0.348 nan 8.270 nan 0.000 0.439 205 K N -0.245 120.133 120.400 -0.037 0.000 2.168 205 K HA 0.058 4.376 4.320 -0.004 0.000 0.201 205 K C 1.481 177.823 176.600 -0.430 0.000 1.049 205 K CA 0.842 56.991 56.287 -0.230 0.000 0.974 205 K CB 0.195 32.531 32.500 -0.273 0.000 0.792 205 K HN 0.168 nan 8.250 nan 0.000 0.463 206 F N 0.445 120.396 119.950 0.001 0.000 2.731 206 F HA 0.291 4.815 4.527 -0.004 0.000 0.298 206 F C 0.994 176.814 175.800 0.033 0.000 1.106 206 F CA 0.250 58.260 58.000 0.016 0.000 1.329 206 F CB 0.598 39.608 39.000 0.016 0.000 1.100 206 F HN 0.117 nan 8.300 nan 0.000 0.592 207 G N 1.176 110.063 108.800 0.146 0.000 2.619 207 G HA2 -0.196 3.762 3.960 -0.004 0.000 0.686 207 G HA3 -0.196 3.762 3.960 -0.004 0.000 0.686 207 G C 0.470 175.456 174.900 0.143 0.000 1.256 207 G CA -0.214 44.954 45.100 0.114 0.000 0.826 207 G HN 0.390 nan 8.290 nan 0.000 0.619 208 E N -0.070 120.199 120.200 0.114 0.000 2.268 208 E HA -0.157 4.191 4.350 -0.004 0.000 0.195 208 E C 2.167 178.888 176.600 0.202 0.000 0.995 208 E CA 1.585 58.072 56.400 0.145 0.000 0.836 208 E CB -0.129 29.627 29.700 0.093 0.000 0.763 208 E HN 0.722 nan 8.360 nan 0.000 0.491 209 R N 0.875 121.474 120.500 0.165 0.000 2.148 209 R HA 0.109 4.446 4.340 -0.004 0.000 0.223 209 R C 2.203 178.608 176.300 0.175 0.000 1.088 209 R CA 1.268 57.464 56.100 0.161 0.000 0.985 209 R CB -0.660 29.718 30.300 0.130 0.000 0.880 209 R HN 0.189 nan 8.270 nan 0.000 0.451 210 A N 0.616 123.551 122.820 0.192 0.000 1.897 210 A HA -0.013 4.304 4.320 -0.004 0.000 0.215 210 A C 2.045 179.747 177.584 0.198 0.000 1.181 210 A CA 1.011 53.152 52.037 0.174 0.000 0.620 210 A CB -0.691 18.424 19.000 0.192 0.000 0.821 210 A HN 0.414 nan 8.150 nan 0.000 0.443 211 F N 0.748 120.745 119.950 0.078 0.000 2.146 211 F HA -0.085 4.439 4.527 -0.005 0.000 0.298 211 F C 2.108 178.012 175.800 0.173 0.000 1.096 211 F CA 1.932 59.975 58.000 0.071 0.000 1.275 211 F CB -0.068 38.934 39.000 0.004 0.000 1.008 211 F HN 0.082 nan 8.300 nan 0.000 0.480 212 K N 0.097 120.673 120.400 0.295 0.000 2.147 212 K HA -0.132 4.185 4.320 -0.004 0.000 0.205 212 K C 2.215 178.872 176.600 0.095 0.000 1.049 212 K CA 1.014 57.413 56.287 0.187 0.000 0.936 212 K CB -0.396 32.225 32.500 0.202 0.000 0.722 212 K HN 0.373 nan 8.250 nan 0.000 0.446 213 A N 0.438 123.323 122.820 0.108 0.000 1.897 213 A HA -0.164 4.154 4.320 -0.004 0.000 0.215 213 A C 1.893 179.501 177.584 0.040 0.000 1.181 213 A CA 0.905 52.991 52.037 0.082 0.000 0.620 213 A CB -0.768 18.287 19.000 0.092 0.000 0.821 213 A HN 0.594 nan 8.150 nan 0.000 0.443 214 W N 0.686 121.875 121.300 -0.184 0.000 2.388 214 W HA -0.068 4.590 4.660 -0.004 0.000 0.294 214 W C 2.294 178.625 176.519 -0.313 0.000 1.212 214 W CA 2.002 59.194 57.345 -0.255 0.000 1.271 214 W CB 0.047 29.315 29.460 -0.320 0.000 1.126 214 W HN 0.334 nan 8.180 nan 0.000 0.535 215 A N -0.384 122.396 122.820 -0.067 0.000 1.929 215 A HA -0.114 4.204 4.320 -0.004 0.000 0.216 215 A C 1.961 179.446 177.584 -0.164 0.000 1.176 215 A CA 1.796 53.737 52.037 -0.160 0.000 0.628 215 A CB -1.119 17.810 19.000 -0.119 0.000 0.816 215 A HN 0.170 nan 8.150 nan 0.000 0.444 216 V N -0.044 119.826 119.914 -0.073 0.000 2.295 216 V HA -0.270 3.847 4.120 -0.004 0.000 0.246 216 V C 3.076 179.128 176.094 -0.071 0.000 1.049 216 V CA 1.999 64.297 62.300 -0.003 0.000 1.024 216 V CB -1.154 30.723 31.823 0.090 0.000 0.648 216 V HN 0.619 nan 8.190 nan 0.000 0.447 217 A N 0.279 122.994 122.820 -0.175 0.000 1.865 217 A HA -0.303 4.014 4.320 -0.004 0.000 0.217 217 A C 2.288 179.667 177.584 -0.341 0.000 1.191 217 A CA 2.472 54.362 52.037 -0.246 0.000 0.623 217 A CB -0.622 18.193 19.000 -0.309 0.000 0.826 217 A HN 0.478 nan 8.150 nan 0.000 0.444 218 R N 0.202 120.359 120.500 -0.572 0.000 2.080 218 R HA -0.046 4.291 4.340 -0.004 0.000 0.236 218 R C 1.927 177.976 176.300 -0.418 0.000 1.137 218 R CA 1.963 57.687 56.100 -0.627 0.000 0.943 218 R CB -0.849 28.801 30.300 -1.082 0.000 0.846 218 R HN 0.500 nan 8.270 nan 0.000 0.431 219 L N 0.135 121.172 121.223 -0.311 0.000 2.201 219 L HA -0.060 4.277 4.340 -0.004 0.000 0.212 219 L C 2.159 178.947 176.870 -0.136 0.000 1.105 219 L CA 1.350 56.042 54.840 -0.248 0.000 0.775 219 L CB -0.536 41.527 42.059 0.007 0.000 0.913 219 L HN 0.230 nan 8.230 nan 0.000 0.440 220 S N -0.417 115.249 115.700 -0.056 0.000 2.402 220 S HA -0.169 4.299 4.470 -0.004 0.000 0.229 220 S C 1.951 176.493 174.600 -0.097 0.000 1.021 220 S CA 1.049 59.267 58.200 0.031 0.000 0.974 220 S CB -0.053 63.186 63.200 0.065 0.000 0.800 220 S HN 0.477 nan 8.310 nan 0.000 0.484 221 Q N 0.470 120.160 119.800 -0.183 0.000 2.083 221 Q HA 0.004 4.342 4.340 -0.004 0.000 0.198 221 Q C 2.408 178.283 176.000 -0.208 0.000 0.969 221 Q CA 0.906 56.591 55.803 -0.197 0.000 0.838 221 Q CB -0.097 28.511 28.738 -0.216 0.000 0.900 221 Q HN 0.374 nan 8.270 nan 0.000 0.436 222 R N -0.298 120.008 120.500 -0.323 0.000 2.073 222 R HA -0.055 4.282 4.340 -0.004 0.000 0.229 222 R C -0.123 175.986 176.300 -0.318 0.000 1.120 222 R CA 0.854 56.671 56.100 -0.471 0.000 0.967 222 R CB 0.348 30.118 30.300 -0.883 0.000 0.862 222 R HN 0.065 nan 8.270 nan 0.000 0.436 223 F N 0.847 120.783 119.950 -0.023 0.000 2.471 223 F HA 0.362 4.887 4.527 -0.002 0.000 0.318 223 F C -1.788 174.022 175.800 0.018 0.000 1.308 223 F CA -3.135 54.866 58.000 0.002 0.000 1.162 223 F CB 1.629 40.642 39.000 0.023 0.000 1.383 223 F HN -0.025 nan 8.300 nan 0.000 0.552 224 P HA -0.134 nan 4.420 nan 0.000 0.225 224 P C 0.838 178.172 177.300 0.057 0.000 1.148 224 P CA 1.262 64.377 63.100 0.025 0.000 0.779 224 P CB 0.400 32.066 31.700 -0.056 0.000 0.780 225 K N -0.615 119.845 120.400 0.100 0.000 2.352 225 K HA 0.244 4.561 4.320 -0.004 0.000 0.194 225 K C 1.119 177.795 176.600 0.126 0.000 1.038 225 K CA -0.131 56.208 56.287 0.087 0.000 1.023 225 K CB 0.145 32.675 32.500 0.050 0.000 0.840 225 K HN 0.027 nan 8.250 nan 0.000 0.519 226 A N 2.168 125.085 122.820 0.161 0.000 2.498 226 A HA 0.001 4.318 4.320 -0.004 0.000 0.239 226 A C -0.187 177.528 177.584 0.217 0.000 1.068 226 A CA 0.097 52.217 52.037 0.139 0.000 0.766 226 A CB 0.100 19.180 19.000 0.133 0.000 1.003 226 A HN 0.206 nan 8.150 nan 0.000 0.497 227 E N 0.332 120.607 120.200 0.125 0.000 2.374 227 E HA 0.210 4.558 4.350 -0.004 0.000 0.260 227 E C 0.432 177.004 176.600 -0.046 0.000 1.101 227 E CA -0.317 56.152 56.400 0.115 0.000 0.907 227 E CB 0.427 30.173 29.700 0.077 0.000 1.014 227 E HN 0.633 nan 8.360 nan 0.000 0.427 228 F N 2.554 122.235 119.950 -0.448 0.000 2.087 228 F HA -0.278 4.247 4.527 -0.004 0.000 0.299 228 F C 1.918 177.546 175.800 -0.288 0.000 1.100 228 F CA 2.129 59.693 58.000 -0.727 0.000 1.226 228 F CB -0.416 38.144 39.000 -0.733 0.000 0.983 228 F HN 0.559 nan 8.300 nan 0.000 0.479 229 A N -0.379 122.282 122.820 -0.265 0.000 2.076 229 A HA -0.168 4.149 4.320 -0.004 0.000 0.220 229 A C 2.180 179.633 177.584 -0.218 0.000 1.160 229 A CA 1.747 53.621 52.037 -0.270 0.000 0.653 229 A CB -0.606 18.347 19.000 -0.079 0.000 0.801 229 A HN 0.473 nan 8.150 nan 0.000 0.455 230 E N -0.312 119.802 120.200 -0.144 0.000 2.033 230 E HA -0.059 4.288 4.350 -0.004 0.000 0.189 230 E C 2.288 178.848 176.600 -0.067 0.000 0.979 230 E CA 1.186 57.556 56.400 -0.049 0.000 0.802 230 E CB -0.591 29.107 29.700 -0.004 0.000 0.763 230 E HN 0.343 nan 8.360 nan 0.000 0.449 231 V N 1.764 121.614 119.914 -0.107 0.000 2.282 231 V HA -0.290 3.827 4.120 -0.004 0.000 0.249 231 V C 2.395 178.404 176.094 -0.143 0.000 1.057 231 V CA 2.037 64.307 62.300 -0.050 0.000 1.032 231 V CB -0.746 31.080 31.823 0.006 0.000 0.645 231 V HN 0.169 nan 8.190 nan 0.000 0.447 232 S N -0.326 115.142 115.700 -0.386 0.000 2.359 232 S HA -0.325 4.143 4.470 -0.004 0.000 0.222 232 S C 2.018 176.532 174.600 -0.144 0.000 1.038 232 S CA 2.170 60.162 58.200 -0.346 0.000 1.051 232 S CB -0.450 62.426 63.200 -0.540 0.000 0.944 232 S HN 0.640 nan 8.310 nan 0.000 0.433 233 K N 1.182 121.505 120.400 -0.128 0.000 2.044 233 K HA -0.121 4.197 4.320 -0.004 0.000 0.210 233 K C 2.137 178.729 176.600 -0.014 0.000 1.049 233 K CA 1.366 57.608 56.287 -0.075 0.000 0.927 233 K CB -0.404 32.038 32.500 -0.097 0.000 0.713 233 K HN 0.315 nan 8.250 nan 0.000 0.443 234 L N 0.786 122.034 121.223 0.042 0.000 2.042 234 L HA -0.190 4.147 4.340 -0.004 0.000 0.210 234 L C 2.512 179.459 176.870 0.130 0.000 1.076 234 L CA 0.932 55.843 54.840 0.119 0.000 0.749 234 L CB -0.458 41.706 42.059 0.175 0.000 0.893 234 L HN 0.042 nan 8.230 nan 0.000 0.432 235 V N -0.576 119.396 119.914 0.097 0.000 2.407 235 V HA -0.288 3.829 4.120 -0.004 0.000 0.248 235 V C 2.556 178.741 176.094 0.152 0.000 1.055 235 V CA 2.296 64.671 62.300 0.125 0.000 1.049 235 V CB -0.676 31.189 31.823 0.071 0.000 0.662 235 V HN 0.482 nan 8.190 nan 0.000 0.455 236 T N -0.364 114.242 114.554 0.086 0.000 2.708 236 T HA -0.182 4.166 4.350 -0.004 0.000 0.266 236 T C 1.648 176.405 174.700 0.095 0.000 1.037 236 T CA 1.781 63.929 62.100 0.081 0.000 1.146 236 T CB -0.365 68.516 68.868 0.022 0.000 0.865 236 T HN 0.477 nan 8.240 nan 0.000 0.435 237 D N 0.815 121.260 120.400 0.076 0.000 2.117 237 D HA -0.033 4.604 4.640 -0.004 0.000 0.197 237 D C 1.950 178.328 176.300 0.128 0.000 0.987 237 D CA 0.451 54.496 54.000 0.076 0.000 0.829 237 D CB -0.481 40.352 40.800 0.054 0.000 0.961 237 D HN 0.122 nan 8.370 nan 0.000 0.460 238 L N 0.666 122.008 121.223 0.199 0.000 2.042 238 L HA -0.140 4.197 4.340 -0.004 0.000 0.210 238 L C 2.138 179.219 176.870 0.351 0.000 1.076 238 L CA 1.706 56.725 54.840 0.298 0.000 0.749 238 L CB -0.943 41.355 42.059 0.398 0.000 0.893 238 L HN -0.008 nan 8.230 nan 0.000 0.432 239 T N -0.840 113.932 114.554 0.364 0.000 2.833 239 T HA -0.219 4.128 4.350 -0.004 0.000 0.269 239 T C 1.909 176.645 174.700 0.060 0.000 1.054 239 T CA 1.531 63.774 62.100 0.240 0.000 1.135 239 T CB -0.128 68.907 68.868 0.278 0.000 0.869 239 T HN 0.323 nan 8.240 nan 0.000 0.466 240 K N 0.752 121.197 120.400 0.076 0.000 2.025 240 K HA -0.053 4.265 4.320 -0.004 0.000 0.207 240 K C 2.247 178.856 176.600 0.016 0.000 1.049 240 K CA 0.927 57.235 56.287 0.035 0.000 0.933 240 K CB -0.297 32.226 32.500 0.039 0.000 0.714 240 K HN 0.110 nan 8.250 nan 0.000 0.438 241 V N 1.436 121.356 119.914 0.010 0.000 2.282 241 V HA -0.286 3.831 4.120 -0.004 0.000 0.249 241 V C 2.341 178.374 176.094 -0.102 0.000 1.057 241 V CA 1.937 64.210 62.300 -0.046 0.000 1.032 241 V CB -0.645 31.126 31.823 -0.087 0.000 0.645 241 V HN 0.443 nan 8.190 nan 0.000 0.447 242 H N -0.427 118.625 119.070 -0.029 0.000 2.436 242 H HA -0.051 4.502 4.556 -0.005 0.000 0.294 242 H C 2.476 177.710 175.328 -0.158 0.000 1.048 242 H CA 1.772 57.727 56.048 -0.155 0.000 1.353 242 H CB -0.415 29.097 29.762 -0.418 0.000 1.414 242 H HN 0.424 nan 8.280 nan 0.000 0.536 243 T N 1.181 115.700 114.554 -0.059 0.000 2.720 243 T HA -0.129 4.218 4.350 -0.004 0.000 0.268 243 T C 1.841 176.569 174.700 0.046 0.000 1.037 243 T CA 1.272 63.346 62.100 -0.043 0.000 1.144 243 T CB -0.024 68.810 68.868 -0.056 0.000 0.864 243 T HN 0.496 nan 8.240 nan 0.000 0.444 244 E N 0.227 120.458 120.200 0.050 0.000 2.023 244 E HA -0.142 4.205 4.350 -0.004 0.000 0.196 244 E C 2.580 179.267 176.600 0.145 0.000 1.003 244 E CA 1.243 57.702 56.400 0.098 0.000 0.809 244 E CB -0.420 29.319 29.700 0.066 0.000 0.755 244 E HN 0.416 nan 8.360 nan 0.000 0.449 245 c N 0.650 119.328 118.600 0.131 0.000 2.432 245 c HA -0.151 4.417 4.570 -0.004 0.000 0.277 245 c C 2.913 177.105 174.090 0.170 0.000 1.249 245 c CA 0.513 56.944 56.329 0.170 0.000 1.725 245 c CB -0.774 41.901 42.510 0.275 0.000 2.028 245 c HN 0.588 nan 8.230 nan 0.000 0.477 246 c N -1.103 117.598 118.600 0.168 0.000 2.443 246 c HA -0.085 4.482 4.570 -0.004 0.000 0.290 246 c C 2.160 176.388 174.090 0.229 0.000 1.476 246 c CA 0.686 57.127 56.329 0.186 0.000 1.772 246 c CB -2.218 40.364 42.510 0.120 0.000 1.714 246 c HN 0.702 nan 8.230 nan 0.000 0.562 247 H N -0.751 118.386 119.070 0.112 0.000 2.755 247 H HA 0.206 4.759 4.556 -0.004 0.000 0.273 247 H C 1.702 177.151 175.328 0.202 0.000 1.055 247 H CA 0.846 56.978 56.048 0.142 0.000 1.191 247 H CB 0.359 30.208 29.762 0.145 0.000 1.536 247 H HN 0.458 nan 8.280 nan 0.000 0.529 248 G N 1.715 110.632 108.800 0.195 0.000 2.131 248 G HA2 -0.190 3.768 3.960 -0.004 0.000 0.223 248 G HA3 -0.190 3.768 3.960 -0.004 0.000 0.223 248 G C -0.419 174.643 174.900 0.271 0.000 0.990 248 G CA 0.212 45.409 45.100 0.161 0.000 0.671 248 G HN 0.397 nan 8.290 nan 0.000 0.521 249 D N 1.137 121.686 120.400 0.247 0.000 2.639 249 D HA 0.358 4.995 4.640 -0.004 0.000 0.233 249 D C 2.058 178.410 176.300 0.088 0.000 1.161 249 D CA -0.382 53.713 54.000 0.158 0.000 1.003 249 D CB 0.218 41.128 40.800 0.183 0.000 1.034 249 D HN 0.345 nan 8.370 nan 0.000 0.514 250 L N -0.218 121.035 121.223 0.048 0.000 2.072 250 L HA -0.077 4.260 4.340 -0.004 0.000 0.205 250 L C 2.319 179.174 176.870 -0.025 0.000 1.079 250 L CA 0.697 55.531 54.840 -0.009 0.000 0.752 250 L CB -0.231 41.779 42.059 -0.082 0.000 0.906 250 L HN 0.269 nan 8.230 nan 0.000 0.436 251 L N 0.213 121.429 121.223 -0.012 0.000 2.083 251 L HA -0.177 4.161 4.340 -0.004 0.000 0.209 251 L C 2.812 179.683 176.870 0.002 0.000 1.083 251 L CA 1.220 56.054 54.840 -0.010 0.000 0.752 251 L CB -0.597 41.489 42.059 0.046 0.000 0.899 251 L HN 0.445 nan 8.230 nan 0.000 0.433 252 E N -0.546 119.666 120.200 0.020 0.000 2.230 252 E HA -0.180 4.168 4.350 -0.004 0.000 0.192 252 E C 2.313 178.924 176.600 0.019 0.000 0.987 252 E CA 1.081 57.493 56.400 0.020 0.000 0.841 252 E CB -0.896 28.827 29.700 0.040 0.000 0.783 252 E HN 0.467 nan 8.360 nan 0.000 0.481 253 c N 1.775 120.389 118.600 0.024 0.000 2.436 253 c HA 0.029 4.596 4.570 -0.004 0.000 0.277 253 c C 3.060 177.148 174.090 -0.003 0.000 1.241 253 c CA 1.662 58.006 56.329 0.026 0.000 1.721 253 c CB -1.038 41.501 42.510 0.049 0.000 2.043 253 c HN 0.562 nan 8.230 nan 0.000 0.472 254 A N 0.102 122.905 122.820 -0.030 0.000 1.859 254 A HA -0.261 4.056 4.320 -0.004 0.000 0.217 254 A C 2.032 179.599 177.584 -0.029 0.000 1.198 254 A CA 2.540 54.546 52.037 -0.051 0.000 0.629 254 A CB -1.175 17.789 19.000 -0.060 0.000 0.830 254 A HN 0.690 nan 8.150 nan 0.000 0.446 255 D N -0.225 120.161 120.400 -0.023 0.000 2.092 255 D HA -0.151 4.487 4.640 -0.004 0.000 0.193 255 D C 1.442 177.744 176.300 0.004 0.000 0.994 255 D CA 1.577 55.565 54.000 -0.020 0.000 0.828 255 D CB -0.364 40.410 40.800 -0.044 0.000 0.963 255 D HN 0.376 nan 8.370 nan 0.000 0.450 256 D N -0.316 120.092 120.400 0.014 0.000 2.178 256 D HA -0.141 4.496 4.640 -0.004 0.000 0.201 256 D C 2.072 178.394 176.300 0.037 0.000 0.980 256 D CA 0.521 54.538 54.000 0.029 0.000 0.842 256 D CB -0.205 40.613 40.800 0.031 0.000 0.948 256 D HN 0.257 nan 8.370 nan 0.000 0.472 257 R N 0.396 120.913 120.500 0.028 0.000 2.148 257 R HA 0.025 4.362 4.340 -0.004 0.000 0.223 257 R C 1.988 178.312 176.300 0.041 0.000 1.088 257 R CA 0.990 57.115 56.100 0.043 0.000 0.985 257 R CB 0.048 30.364 30.300 0.026 0.000 0.880 257 R HN 0.078 nan 8.270 nan 0.000 0.451 258 A N 1.290 124.123 122.820 0.023 0.000 1.873 258 A HA -0.155 4.162 4.320 -0.004 0.000 0.215 258 A C 1.568 179.177 177.584 0.042 0.000 1.186 258 A CA 1.703 53.754 52.037 0.023 0.000 0.616 258 A CB -0.468 18.538 19.000 0.010 0.000 0.823 258 A HN 0.329 nan 8.150 nan 0.000 0.442 259 D N -0.316 120.113 120.400 0.048 0.000 2.149 259 D HA -0.149 4.489 4.640 -0.004 0.000 0.198 259 D C 1.834 178.191 176.300 0.096 0.000 0.990 259 D CA 1.412 55.451 54.000 0.065 0.000 0.839 259 D CB -0.420 40.414 40.800 0.056 0.000 0.948 259 D HN 0.370 nan 8.370 nan 0.000 0.460 260 L N 0.942 122.224 121.223 0.097 0.000 2.027 260 L HA -0.036 4.301 4.340 -0.004 0.000 0.206 260 L C 2.145 179.101 176.870 0.144 0.000 1.074 260 L CA 1.932 56.856 54.840 0.140 0.000 0.745 260 L CB -0.898 41.238 42.059 0.128 0.000 0.898 260 L HN -0.021 nan 8.230 nan 0.000 0.433 261 A N -0.245 122.633 122.820 0.097 0.000 1.908 261 A HA -0.254 4.064 4.320 -0.004 0.000 0.218 261 A C 2.402 180.014 177.584 0.047 0.000 1.181 261 A CA 2.000 54.078 52.037 0.068 0.000 0.627 261 A CB -0.764 18.264 19.000 0.048 0.000 0.818 261 A HN 0.475 nan 8.150 nan 0.000 0.445 262 K N -0.770 119.667 120.400 0.061 0.000 2.001 262 K HA -0.236 4.082 4.320 -0.004 0.000 0.214 262 K C 1.896 178.528 176.600 0.054 0.000 1.050 262 K CA 2.352 58.670 56.287 0.052 0.000 0.934 262 K CB -0.831 31.709 32.500 0.067 0.000 0.718 262 K HN 0.521 nan 8.250 nan 0.000 0.443 263 Y N 1.529 121.829 120.300 0.001 0.000 2.207 263 Y HA -0.159 4.392 4.550 0.002 0.000 0.287 263 Y C 2.127 178.011 175.900 -0.027 0.000 1.156 263 Y CA 1.669 59.764 58.100 -0.009 0.000 1.182 263 Y CB -0.242 38.216 38.460 -0.003 0.000 0.979 263 Y HN 0.062 nan 8.280 nan 0.000 0.521 264 I N -1.332 119.142 120.570 -0.160 0.000 2.202 264 I HA -0.360 3.808 4.170 -0.004 0.000 0.242 264 I C 2.444 178.410 176.117 -0.252 0.000 1.091 264 I CA 1.315 62.461 61.300 -0.257 0.000 1.368 264 I CB -0.818 37.131 38.000 -0.086 0.000 1.058 264 I HN 0.273 nan 8.210 nan 0.000 0.410 265 c N 0.847 119.362 118.600 -0.142 0.000 2.419 265 c HA -0.119 4.448 4.570 -0.004 0.000 0.281 265 c C 2.601 176.613 174.090 -0.130 0.000 1.336 265 c CA 0.807 57.069 56.329 -0.111 0.000 1.770 265 c CB -1.112 41.366 42.510 -0.055 0.000 1.929 265 c HN 0.497 nan 8.230 nan 0.000 0.509 266 E N 1.117 121.218 120.200 -0.165 0.000 2.008 266 E HA -0.114 4.233 4.350 -0.004 0.000 0.191 266 E C 1.224 177.705 176.600 -0.198 0.000 0.986 266 E CA 1.068 57.379 56.400 -0.148 0.000 0.807 266 E CB -0.384 29.239 29.700 -0.128 0.000 0.766 266 E HN 0.620 nan 8.360 nan 0.000 0.450 267 N N 1.502 119.995 118.700 -0.344 0.000 2.567 267 N HA -0.092 4.645 4.740 -0.004 0.000 0.195 267 N C 1.224 176.567 175.510 -0.278 0.000 1.242 267 N CA 0.147 52.994 53.050 -0.339 0.000 0.884 267 N CB -0.087 38.072 38.487 -0.546 0.000 1.007 267 N HN 0.208 nan 8.380 nan 0.000 0.450 268 Q N 1.057 120.715 119.800 -0.237 0.000 2.084 268 Q HA -0.318 4.019 4.340 -0.004 0.000 0.215 268 Q C 0.787 176.693 176.000 -0.157 0.000 1.020 268 Q CA 2.064 57.753 55.803 -0.191 0.000 0.887 268 Q CB -0.062 28.598 28.738 -0.129 0.000 0.975 268 Q HN 0.403 nan 8.270 nan 0.000 0.413 269 D N -0.420 119.912 120.400 -0.114 0.000 2.133 269 D HA -0.123 4.514 4.640 -0.004 0.000 0.195 269 D C 1.589 177.840 176.300 -0.081 0.000 0.997 269 D CA 1.696 55.648 54.000 -0.081 0.000 0.840 269 D CB -0.173 40.592 40.800 -0.059 0.000 0.947 269 D HN 0.246 nan 8.370 nan 0.000 0.452 270 S N -0.361 115.280 115.700 -0.098 0.000 2.754 270 S HA 0.165 4.632 4.470 -0.004 0.000 0.223 270 S C 1.654 176.189 174.600 -0.108 0.000 0.951 270 S CA -0.037 58.115 58.200 -0.079 0.000 0.954 270 S CB 0.394 63.555 63.200 -0.065 0.000 0.780 270 S HN 0.275 nan 8.310 nan 0.000 0.509 271 I N -1.162 119.304 120.570 -0.173 0.000 3.669 271 I HA 0.243 4.410 4.170 -0.004 0.000 0.255 271 I C 0.531 176.500 176.117 -0.247 0.000 1.144 271 I CA 0.083 61.204 61.300 -0.299 0.000 1.447 271 I CB 0.545 38.234 38.000 -0.519 0.000 1.622 271 I HN 0.144 nan 8.210 nan 0.000 0.435 272 S N -0.400 115.181 115.700 -0.199 0.000 2.537 272 S HA 0.259 4.727 4.470 -0.004 0.000 0.271 272 S C 0.457 175.047 174.600 -0.017 0.000 1.148 272 S CA -0.071 58.111 58.200 -0.029 0.000 0.868 272 S CB 1.579 64.853 63.200 0.122 0.000 1.115 272 S HN 0.290 nan 8.310 nan 0.000 0.461 273 S N 2.716 118.426 115.700 0.017 0.000 2.496 273 S HA 0.096 4.564 4.470 -0.004 0.000 0.224 273 S C 0.996 175.606 174.600 0.016 0.000 0.996 273 S CA 0.137 58.341 58.200 0.006 0.000 0.927 273 S CB -0.193 63.011 63.200 0.007 0.000 0.774 273 S HN 0.642 nan 8.310 nan 0.000 0.524 274 K N 1.210 121.635 120.400 0.042 0.000 2.487 274 K HA 0.301 4.619 4.320 -0.004 0.000 0.192 274 K C 1.298 177.927 176.600 0.048 0.000 1.027 274 K CA 0.103 56.419 56.287 0.048 0.000 1.054 274 K CB -0.282 32.258 32.500 0.068 0.000 0.824 274 K HN 0.449 nan 8.250 nan 0.000 0.510 275 L N 0.901 122.142 121.223 0.031 0.000 2.418 275 L HA -0.082 4.255 4.340 -0.004 0.000 0.218 275 L C 1.855 178.727 176.870 0.003 0.000 1.125 275 L CA 0.533 55.384 54.840 0.019 0.000 0.835 275 L CB -0.338 41.708 42.059 -0.021 0.000 0.953 275 L HN 0.107 nan 8.230 nan 0.000 0.454 276 K N 0.808 121.206 120.400 -0.003 0.000 2.032 276 K HA -0.267 4.051 4.320 -0.004 0.000 0.218 276 K C 1.672 178.274 176.600 0.003 0.000 1.054 276 K CA 2.010 58.294 56.287 -0.005 0.000 0.941 276 K CB -0.681 31.817 32.500 -0.003 0.000 0.720 276 K HN 0.286 nan 8.250 nan 0.000 0.449 277 E N 0.571 120.778 120.200 0.012 0.000 2.171 277 E HA -0.198 4.149 4.350 -0.004 0.000 0.197 277 E C 2.287 178.897 176.600 0.018 0.000 0.997 277 E CA 1.474 57.883 56.400 0.016 0.000 0.810 277 E CB -0.417 29.296 29.700 0.022 0.000 0.738 277 E HN 0.424 nan 8.360 nan 0.000 0.467 278 c N 0.567 119.178 118.600 0.020 0.000 2.489 278 c HA -0.107 4.461 4.570 -0.004 0.000 0.279 278 c C 2.916 177.010 174.090 0.007 0.000 1.266 278 c CA 0.283 56.624 56.329 0.019 0.000 1.707 278 c CB -0.845 41.682 42.510 0.027 0.000 2.059 278 c HN 0.562 nan 8.230 nan 0.000 0.481 279 c N 1.204 119.804 118.600 0.000 0.000 2.413 279 c HA -0.087 4.480 4.570 -0.004 0.000 0.292 279 c C 1.579 175.666 174.090 -0.005 0.000 1.435 279 c CA 0.858 57.182 56.329 -0.008 0.000 1.791 279 c CB -2.036 40.461 42.510 -0.021 0.000 1.784 279 c HN 0.634 nan 8.230 nan 0.000 0.548 280 E N 0.591 120.791 120.200 0.000 0.000 2.411 280 E HA 0.152 4.500 4.350 -0.004 0.000 0.204 280 E C 0.012 176.616 176.600 0.006 0.000 1.059 280 E CA 0.173 56.574 56.400 0.002 0.000 1.112 280 E CB 0.253 29.955 29.700 0.003 0.000 1.168 280 E HN 0.644 nan 8.360 nan 0.000 0.445 281 K N 1.027 121.429 120.400 0.004 0.000 2.443 281 K HA 0.433 4.750 4.320 -0.004 0.000 0.251 281 K C -2.798 173.805 176.600 0.004 0.000 0.972 281 K CA -2.344 53.946 56.287 0.006 0.000 0.833 281 K CB 1.744 34.246 32.500 0.002 0.000 1.317 281 K HN -0.164 nan 8.250 nan 0.000 0.441 282 P HA -0.023 nan 4.420 nan 0.000 0.268 282 P C 0.704 178.005 177.300 0.000 0.000 1.205 282 P CA -0.268 62.840 63.100 0.014 0.000 0.771 282 P CB 0.485 32.204 31.700 0.031 0.000 0.858 283 L N 4.245 125.469 121.223 0.002 0.000 2.064 283 L HA -0.310 4.027 4.340 -0.004 0.000 0.234 283 L C 1.973 178.824 176.870 -0.032 0.000 1.103 283 L CA 2.106 56.942 54.840 -0.007 0.000 0.824 283 L CB -1.234 40.826 42.059 0.002 0.000 0.919 283 L HN 0.394 nan 8.230 nan 0.000 0.447 284 L N -1.320 119.892 121.223 -0.019 0.000 1.990 284 L HA -0.288 4.049 4.340 -0.004 0.000 0.213 284 L C 2.545 179.239 176.870 -0.294 0.000 1.072 284 L CA 2.006 56.812 54.840 -0.056 0.000 0.755 284 L CB -0.774 41.350 42.059 0.108 0.000 0.889 284 L HN 0.372 nan 8.230 nan 0.000 0.432 285 E N 0.055 120.093 120.200 -0.269 0.000 2.072 285 E HA -0.231 4.116 4.350 -0.004 0.000 0.191 285 E C 2.074 178.538 176.600 -0.227 0.000 0.985 285 E CA 1.166 57.312 56.400 -0.424 0.000 0.801 285 E CB -0.137 29.496 29.700 -0.111 0.000 0.750 285 E HN 0.334 nan 8.360 nan 0.000 0.452 286 K N 0.361 120.697 120.400 -0.105 0.000 2.097 286 K HA -0.112 4.205 4.320 -0.004 0.000 0.206 286 K C 1.971 178.556 176.600 -0.025 0.000 1.049 286 K CA 1.620 57.881 56.287 -0.042 0.000 0.933 286 K CB -0.060 32.428 32.500 -0.019 0.000 0.717 286 K HN -0.024 nan 8.250 nan 0.000 0.442 287 S N -0.255 115.420 115.700 -0.042 0.000 2.383 287 S HA -0.155 4.313 4.470 -0.004 0.000 0.227 287 S C 1.728 176.344 174.600 0.027 0.000 1.026 287 S CA 1.398 59.601 58.200 0.005 0.000 0.981 287 S CB -0.429 62.768 63.200 -0.005 0.000 0.818 287 S HN 0.584 nan 8.310 nan 0.000 0.472 288 H N -0.068 118.893 119.070 -0.181 0.000 2.363 288 H HA -0.034 4.518 4.556 -0.006 0.000 0.301 288 H C 2.451 177.731 175.328 -0.079 0.000 1.074 288 H CA 1.750 57.691 56.048 -0.177 0.000 1.354 288 H CB -0.586 28.840 29.762 -0.560 0.000 1.397 288 H HN 0.416 nan 8.280 nan 0.000 0.516 289 c N 0.105 118.742 118.600 0.063 0.000 2.442 289 c HA -0.127 4.440 4.570 -0.004 0.000 0.279 289 c C 2.752 176.862 174.090 0.033 0.000 1.237 289 c CA 1.241 57.607 56.329 0.062 0.000 1.722 289 c CB -1.333 41.206 42.510 0.050 0.000 2.056 289 c HN 0.725 nan 8.230 nan 0.000 0.469 290 I N 1.257 121.858 120.570 0.052 0.000 2.194 290 I HA -0.241 3.926 4.170 -0.004 0.000 0.246 290 I C 2.777 178.959 176.117 0.108 0.000 1.093 290 I CA 1.841 63.202 61.300 0.101 0.000 1.355 290 I CB -0.519 37.546 38.000 0.108 0.000 1.046 290 I HN 0.482 nan 8.210 nan 0.000 0.413 291 A N -0.361 122.500 122.820 0.069 0.000 2.015 291 A HA -0.142 4.175 4.320 -0.004 0.000 0.219 291 A C 1.967 179.548 177.584 -0.005 0.000 1.163 291 A CA 1.381 53.457 52.037 0.066 0.000 0.646 291 A CB -0.195 18.858 19.000 0.088 0.000 0.806 291 A HN 0.368 nan 8.150 nan 0.000 0.448 292 E N -0.582 119.581 120.200 -0.063 0.000 2.501 292 E HA 0.177 4.525 4.350 -0.004 0.000 0.201 292 E C 0.017 176.603 176.600 -0.023 0.000 1.016 292 E CA -0.253 56.105 56.400 -0.069 0.000 0.920 292 E CB 0.196 29.809 29.700 -0.145 0.000 1.023 292 E HN 0.259 nan 8.360 nan 0.000 0.474 293 V N 2.211 122.129 119.914 0.007 0.000 2.928 293 V HA -0.116 4.001 4.120 -0.004 0.000 0.307 293 V C 0.629 176.717 176.094 -0.010 0.000 1.105 293 V CA 0.479 62.798 62.300 0.032 0.000 1.223 293 V CB 0.793 32.680 31.823 0.107 0.000 0.930 293 V HN 0.211 nan 8.190 nan 0.000 0.499 294 E N 5.115 125.318 120.200 0.005 0.000 2.366 294 E HA 0.120 4.467 4.350 -0.004 0.000 0.266 294 E C -0.170 176.411 176.600 -0.032 0.000 1.051 294 E CA -0.793 55.596 56.400 -0.018 0.000 0.884 294 E CB 0.536 30.237 29.700 0.002 0.000 1.006 294 E HN 0.771 nan 8.360 nan 0.000 0.417 295 N N 3.414 122.074 118.700 -0.067 0.000 2.412 295 N HA -0.046 4.691 4.740 -0.004 0.000 0.258 295 N C -0.443 175.052 175.510 -0.026 0.000 1.236 295 N CA 0.237 53.239 53.050 -0.080 0.000 0.882 295 N CB 0.481 38.906 38.487 -0.102 0.000 1.066 295 N HN 0.529 nan 8.380 nan 0.000 0.465 296 D N 0.867 121.273 120.400 0.009 0.000 2.371 296 D HA 0.009 4.647 4.640 -0.004 0.000 0.242 296 D C -0.166 176.131 176.300 -0.003 0.000 1.218 296 D CA -0.068 53.953 54.000 0.035 0.000 0.945 296 D CB 0.690 41.550 40.800 0.099 0.000 1.137 296 D HN 0.257 nan 8.370 nan 0.000 0.464 297 E N 1.232 121.430 120.200 -0.003 0.000 2.344 297 E HA 0.033 4.381 4.350 -0.004 0.000 0.270 297 E C 0.198 176.779 176.600 -0.032 0.000 1.021 297 E CA -0.110 56.276 56.400 -0.023 0.000 0.887 297 E CB 0.749 30.439 29.700 -0.017 0.000 0.997 297 E HN 0.484 nan 8.360 nan 0.000 0.429 298 M N 3.633 123.197 119.600 -0.060 0.000 2.248 298 M HA 0.130 4.607 4.480 -0.004 0.000 0.337 298 M C -2.146 174.114 176.300 -0.066 0.000 1.121 298 M CA -1.232 54.020 55.300 -0.081 0.000 1.155 298 M CB 0.463 32.989 32.600 -0.123 0.000 1.514 298 M HN 0.074 nan 8.290 nan 0.000 0.452 299 P HA 0.068 nan 4.420 nan 0.000 0.269 299 P C -0.691 176.575 177.300 -0.057 0.000 1.209 299 P CA 0.038 63.109 63.100 -0.047 0.000 0.776 299 P CB 0.681 32.357 31.700 -0.040 0.000 0.876 300 A N 2.064 124.859 122.820 -0.042 0.000 1.874 300 A HA -0.081 4.236 4.320 -0.004 0.000 0.214 300 A C 1.248 178.806 177.584 -0.043 0.000 1.189 300 A CA 1.262 53.274 52.037 -0.043 0.000 0.615 300 A CB -0.877 18.104 19.000 -0.032 0.000 0.830 300 A HN 0.547 nan 8.150 nan 0.000 0.443 301 D N 0.378 120.758 120.400 -0.034 0.000 2.845 301 D HA 0.325 4.962 4.640 -0.004 0.000 0.235 301 D C -0.716 175.563 176.300 -0.035 0.000 1.158 301 D CA 0.048 54.030 54.000 -0.030 0.000 0.990 301 D CB -0.437 40.352 40.800 -0.018 0.000 1.094 301 D HN 0.192 nan 8.370 nan 0.000 0.486 302 L N 3.238 124.430 121.223 -0.053 0.000 2.265 302 L HA 0.423 4.760 4.340 -0.004 0.000 0.289 302 L C -1.293 175.541 176.870 -0.061 0.000 1.033 302 L CA -1.559 53.243 54.840 -0.063 0.000 0.814 302 L CB 1.152 43.151 42.059 -0.099 0.000 1.203 302 L HN 0.248 nan 8.230 nan 0.000 0.423 303 P HA 0.086 nan 4.420 nan 0.000 0.288 303 P C -0.380 176.895 177.300 -0.041 0.000 1.291 303 P CA -0.438 62.641 63.100 -0.035 0.000 0.766 303 P CB 0.779 32.467 31.700 -0.019 0.000 1.242 304 S N -1.520 114.162 115.700 -0.031 0.000 2.617 304 S HA 0.288 4.755 4.470 -0.004 0.000 0.283 304 S C 1.344 175.956 174.600 0.020 0.000 1.189 304 S CA -0.812 57.370 58.200 -0.029 0.000 1.036 304 S CB 0.144 63.316 63.200 -0.046 0.000 1.014 304 S HN 0.354 nan 8.310 nan 0.000 0.522 305 L N 3.190 124.455 121.223 0.069 0.000 2.068 305 L HA 0.070 4.408 4.340 -0.004 0.000 0.204 305 L C 2.885 179.909 176.870 0.256 0.000 1.076 305 L CA 1.176 56.181 54.840 0.274 0.000 0.753 305 L CB -1.059 41.251 42.059 0.418 0.000 0.910 305 L HN 0.875 nan 8.230 nan 0.000 0.439 306 A N 0.802 123.632 122.820 0.017 0.000 1.944 306 A HA -0.395 3.923 4.320 -0.004 0.000 0.222 306 A C 2.473 180.083 177.584 0.044 0.000 1.237 306 A CA 2.667 54.629 52.037 -0.125 0.000 0.668 306 A CB -0.978 17.849 19.000 -0.289 0.000 0.830 306 A HN 0.475 nan 8.150 nan 0.000 0.471 307 A N -0.503 122.332 122.820 0.024 0.000 1.933 307 A HA -0.115 4.203 4.320 -0.004 0.000 0.218 307 A C 1.641 179.235 177.584 0.018 0.000 1.175 307 A CA 2.021 54.072 52.037 0.024 0.000 0.628 307 A CB -0.569 18.429 19.000 -0.003 0.000 0.814 307 A HN 0.615 nan 8.150 nan 0.000 0.444 308 D N -1.622 118.744 120.400 -0.056 0.000 2.277 308 D HA 0.077 4.714 4.640 -0.004 0.000 0.209 308 D C 1.038 177.196 176.300 -0.236 0.000 0.970 308 D CA 0.634 54.500 54.000 -0.223 0.000 0.874 308 D CB -0.206 40.301 40.800 -0.487 0.000 0.982 308 D HN 0.461 nan 8.370 nan 0.000 0.504 309 F N -0.280 119.825 119.950 0.258 0.000 2.714 309 F HA 0.253 4.777 4.527 -0.005 0.000 0.294 309 F C 1.724 177.737 175.800 0.355 0.000 1.120 309 F CA 0.127 58.339 58.000 0.353 0.000 1.398 309 F CB 0.570 39.759 39.000 0.314 0.000 1.120 309 F HN -0.160 nan 8.300 nan 0.000 0.589 310 V N -1.783 118.382 119.914 0.419 0.000 3.332 310 V HA 0.074 4.191 4.120 -0.004 0.000 0.263 310 V C 1.422 177.760 176.094 0.407 0.000 1.562 310 V CA 0.469 63.026 62.300 0.428 0.000 1.040 310 V CB 0.740 32.836 31.823 0.455 0.000 0.857 310 V HN 0.083 nan 8.190 nan 0.000 0.428 311 E N -0.034 120.312 120.200 0.244 0.000 2.251 311 E HA 0.114 4.462 4.350 -0.004 0.000 0.194 311 E C 1.075 177.768 176.600 0.156 0.000 0.964 311 E CA 0.314 56.816 56.400 0.170 0.000 0.868 311 E CB 0.428 30.171 29.700 0.072 0.000 0.828 311 E HN 0.348 nan 8.360 nan 0.000 0.481 312 S N 1.702 117.492 115.700 0.149 0.000 2.563 312 S HA -0.062 4.406 4.470 -0.004 0.000 0.294 312 S C 0.853 175.574 174.600 0.202 0.000 1.279 312 S CA -0.094 58.178 58.200 0.120 0.000 1.069 312 S CB 0.353 63.610 63.200 0.095 0.000 0.828 312 S HN 0.175 nan 8.310 nan 0.000 0.497 313 K N 3.117 123.589 120.400 0.119 0.000 2.522 313 K HA 0.142 4.460 4.320 -0.004 0.000 0.194 313 K C -0.384 176.425 176.600 0.348 0.000 1.026 313 K CA 0.198 56.593 56.287 0.181 0.000 1.119 313 K CB 0.075 32.467 32.500 -0.181 0.000 0.856 313 K HN 0.512 nan 8.250 nan 0.000 0.513 314 D N 0.956 121.488 120.400 0.219 0.000 2.599 314 D HA 0.032 4.670 4.640 -0.004 0.000 0.249 314 D C 1.120 177.462 176.300 0.070 0.000 1.313 314 D CA -0.056 54.027 54.000 0.137 0.000 0.815 314 D CB 0.911 41.760 40.800 0.082 0.000 1.077 314 D HN -0.067 nan 8.370 nan 0.000 0.492 315 V N 0.412 120.387 119.914 0.102 0.000 2.392 315 V HA -0.269 3.848 4.120 -0.004 0.000 0.249 315 V C 2.499 178.471 176.094 -0.202 0.000 1.059 315 V CA 1.503 63.770 62.300 -0.055 0.000 1.051 315 V CB -0.464 31.268 31.823 -0.153 0.000 0.658 315 V HN 0.414 nan 8.190 nan 0.000 0.455 316 c N -0.661 117.909 118.600 -0.050 0.000 2.448 316 c HA -0.061 4.506 4.570 -0.004 0.000 0.280 316 c C 2.685 176.750 174.090 -0.042 0.000 1.398 316 c CA 0.763 57.082 56.329 -0.016 0.000 1.774 316 c CB -0.872 41.663 42.510 0.041 0.000 1.888 316 c HN 0.604 nan 8.230 nan 0.000 0.519 317 K N 1.586 121.956 120.400 -0.049 0.000 1.973 317 K HA -0.132 4.186 4.320 -0.004 0.000 0.212 317 K C 1.952 178.487 176.600 -0.109 0.000 1.047 317 K CA 1.551 57.808 56.287 -0.049 0.000 0.937 317 K CB -0.273 32.221 32.500 -0.010 0.000 0.721 317 K HN 0.460 nan 8.250 nan 0.000 0.440 318 N N -0.269 118.320 118.700 -0.186 0.000 2.104 318 N HA -0.216 4.522 4.740 -0.004 0.000 0.190 318 N C 1.843 177.145 175.510 -0.346 0.000 1.024 318 N CA 1.319 54.223 53.050 -0.244 0.000 0.853 318 N CB -0.307 37.985 38.487 -0.325 0.000 1.008 318 N HN 0.276 nan 8.380 nan 0.000 0.424 319 Y N 1.742 121.629 120.300 -0.689 0.000 2.333 319 Y HA -0.104 4.443 4.550 -0.005 0.000 0.290 319 Y C 2.266 178.056 175.900 -0.184 0.000 1.144 319 Y CA 0.977 58.796 58.100 -0.468 0.000 1.228 319 Y CB -0.320 37.873 38.460 -0.446 0.000 0.985 319 Y HN 0.049 nan 8.280 nan 0.000 0.542 320 A N -0.173 122.503 122.820 -0.240 0.000 1.878 320 A HA -0.063 4.254 4.320 -0.004 0.000 0.213 320 A C 2.070 179.552 177.584 -0.170 0.000 1.192 320 A CA 1.129 53.032 52.037 -0.223 0.000 0.619 320 A CB -0.567 18.368 19.000 -0.109 0.000 0.837 320 A HN 0.515 nan 8.150 nan 0.000 0.446 321 E N -0.015 120.120 120.200 -0.108 0.000 2.012 321 E HA -0.088 4.260 4.350 -0.004 0.000 0.211 321 E C 0.851 177.425 176.600 -0.043 0.000 1.029 321 E CA 1.254 57.622 56.400 -0.054 0.000 0.867 321 E CB -0.201 29.488 29.700 -0.019 0.000 0.790 321 E HN 0.491 nan 8.360 nan 0.000 0.482 322 A N 0.917 123.732 122.820 -0.008 0.000 3.030 322 A HA 0.165 4.483 4.320 -0.004 0.000 0.335 322 A C 0.775 178.409 177.584 0.083 0.000 1.089 322 A CA -0.511 51.548 52.037 0.037 0.000 0.807 322 A CB 0.126 19.180 19.000 0.089 0.000 1.099 322 A HN 0.301 nan 8.150 nan 0.000 0.474 323 K N -0.038 120.340 120.400 -0.036 0.000 2.218 323 K HA -0.224 4.094 4.320 -0.004 0.000 0.205 323 K C 0.471 177.214 176.600 0.239 0.000 1.046 323 K CA 2.210 58.504 56.287 0.012 0.000 0.933 323 K CB -0.041 32.169 32.500 -0.483 0.000 0.728 323 K HN 0.355 nan 8.250 nan 0.000 0.454 324 D N 0.405 120.903 120.400 0.165 0.000 2.183 324 D HA -0.047 4.590 4.640 -0.004 0.000 0.203 324 D C 1.771 178.214 176.300 0.237 0.000 0.969 324 D CA 0.630 54.745 54.000 0.191 0.000 0.842 324 D CB 0.306 41.189 40.800 0.138 0.000 0.957 324 D HN 0.094 nan 8.370 nan 0.000 0.484 325 V N 0.105 120.170 119.914 0.250 0.000 2.446 325 V HA -0.108 4.009 4.120 -0.004 0.000 0.244 325 V C 1.945 178.186 176.094 0.245 0.000 1.039 325 V CA 0.752 63.216 62.300 0.273 0.000 1.045 325 V CB -0.487 31.493 31.823 0.261 0.000 0.681 325 V HN 0.136 nan 8.190 nan 0.000 0.459 326 F N 0.873 120.929 119.950 0.177 0.000 2.065 326 F HA -0.245 4.280 4.527 -0.004 0.000 0.298 326 F C 2.040 178.017 175.800 0.295 0.000 1.112 326 F CA 1.875 60.025 58.000 0.251 0.000 1.212 326 F CB -0.311 38.877 39.000 0.314 0.000 0.975 326 F HN 0.024 nan 8.300 nan 0.000 0.476 327 L N -0.592 120.845 121.223 0.358 0.000 2.141 327 L HA -0.114 4.223 4.340 -0.004 0.000 0.209 327 L C 2.762 179.722 176.870 0.150 0.000 1.094 327 L CA 1.161 56.156 54.840 0.258 0.000 0.763 327 L CB -1.465 40.788 42.059 0.322 0.000 0.908 327 L HN 0.329 nan 8.230 nan 0.000 0.437 328 G N -0.428 108.463 108.800 0.152 0.000 2.422 328 G HA2 -0.240 3.717 3.960 -0.004 0.000 0.218 328 G HA3 -0.240 3.717 3.960 -0.004 0.000 0.218 328 G C 1.650 176.529 174.900 -0.035 0.000 1.146 328 G CA 0.484 45.687 45.100 0.171 0.000 0.769 328 G HN 0.181 nan 8.290 nan 0.000 0.547 329 M N -0.582 118.818 119.600 -0.332 0.000 2.175 329 M HA 0.078 4.555 4.480 -0.004 0.000 0.264 329 M C 2.281 178.452 176.300 -0.214 0.000 1.063 329 M CA 1.033 56.054 55.300 -0.465 0.000 1.119 329 M CB -0.293 32.067 32.600 -0.399 0.000 1.377 329 M HN 0.293 nan 8.290 nan 0.000 0.415 330 F N 1.158 120.788 119.950 -0.533 0.000 2.102 330 F HA -0.238 4.287 4.527 -0.003 0.000 0.298 330 F C 1.944 177.433 175.800 -0.518 0.000 1.105 330 F CA 1.374 58.741 58.000 -1.056 0.000 1.239 330 F CB -0.419 37.867 39.000 -1.191 0.000 0.991 330 F HN -0.010 nan 8.300 nan 0.000 0.474 331 L N 0.000 121.007 121.223 -0.360 0.000 2.042 331 L HA -0.211 4.127 4.340 -0.004 0.000 0.210 331 L C 2.287 179.037 176.870 -0.200 0.000 1.076 331 L CA 2.215 56.882 54.840 -0.287 0.000 0.749 331 L CB -1.481 40.554 42.059 -0.040 0.000 0.893 331 L HN 0.465 nan 8.230 nan 0.000 0.432 332 Y N -0.044 120.145 120.300 -0.185 0.000 2.163 332 Y HA -0.162 4.384 4.550 -0.006 0.000 0.288 332 Y C 2.331 178.154 175.900 -0.129 0.000 1.136 332 Y CA 1.827 59.886 58.100 -0.068 0.000 1.147 332 Y CB -0.280 38.252 38.460 0.121 0.000 0.987 332 Y HN 0.229 nan 8.280 nan 0.000 0.509 333 E N -0.208 119.773 120.200 -0.366 0.000 2.038 333 E HA -0.276 4.072 4.350 -0.004 0.000 0.195 333 E C 2.101 178.459 176.600 -0.404 0.000 1.000 333 E CA 1.834 57.980 56.400 -0.423 0.000 0.803 333 E CB -1.009 28.615 29.700 -0.127 0.000 0.750 333 E HN 0.636 nan 8.360 nan 0.000 0.448 334 Y N 0.909 120.834 120.300 -0.625 0.000 2.242 334 Y HA -0.117 4.431 4.550 -0.004 0.000 0.291 334 Y C 2.319 178.020 175.900 -0.332 0.000 1.137 334 Y CA 1.287 59.075 58.100 -0.519 0.000 1.181 334 Y CB -0.263 37.664 38.460 -0.887 0.000 0.989 334 Y HN 0.031 nan 8.280 nan 0.000 0.527 335 A N 0.781 123.520 122.820 -0.134 0.000 1.929 335 A HA -0.156 4.162 4.320 -0.004 0.000 0.216 335 A C 2.269 179.736 177.584 -0.195 0.000 1.176 335 A CA 1.481 53.444 52.037 -0.124 0.000 0.628 335 A CB -0.669 18.242 19.000 -0.148 0.000 0.816 335 A HN 0.575 nan 8.150 nan 0.000 0.444 336 R N -0.471 119.853 120.500 -0.294 0.000 2.189 336 R HA -0.031 4.306 4.340 -0.004 0.000 0.223 336 R C 1.649 177.769 176.300 -0.301 0.000 1.092 336 R CA 1.487 57.400 56.100 -0.312 0.000 0.989 336 R CB -0.295 29.720 30.300 -0.475 0.000 0.876 336 R HN 0.441 nan 8.270 nan 0.000 0.457 337 R N -0.555 119.732 120.500 -0.356 0.000 2.265 337 R HA 0.142 4.480 4.340 -0.004 0.000 0.194 337 R C 0.115 176.014 176.300 -0.669 0.000 0.931 337 R CA 0.278 56.092 56.100 -0.476 0.000 1.032 337 R CB 0.375 30.343 30.300 -0.554 0.000 0.980 337 R HN 0.280 nan 8.270 nan 0.000 0.497 338 H N 1.048 119.892 119.070 -0.376 0.000 2.418 338 H HA 0.170 4.724 4.556 -0.004 0.000 0.238 338 H C -1.930 173.192 175.328 -0.343 0.000 1.403 338 H CA -1.895 53.861 56.048 -0.487 0.000 1.419 338 H CB 1.491 30.762 29.762 -0.818 0.000 1.463 338 H HN 0.043 nan 8.280 nan 0.000 0.515 339 P HA -0.025 nan 4.420 nan 0.000 0.249 339 P C 0.599 177.846 177.300 -0.088 0.000 1.229 339 P CA 0.396 63.415 63.100 -0.135 0.000 0.788 339 P CB 0.425 32.041 31.700 -0.140 0.000 1.072 340 D N -2.031 118.320 120.400 -0.083 0.000 2.328 340 D HA -0.038 4.599 4.640 -0.004 0.000 0.221 340 D C 0.108 176.535 176.300 0.213 0.000 1.072 340 D CA -0.065 53.943 54.000 0.014 0.000 0.850 340 D CB -0.368 40.441 40.800 0.014 0.000 0.922 340 D HN 0.084 nan 8.370 nan 0.000 0.516 341 Y N 1.196 121.488 120.300 -0.014 0.000 2.567 341 Y HA 0.416 4.964 4.550 -0.004 0.000 0.333 341 Y C 0.844 176.693 175.900 -0.085 0.000 1.106 341 Y CA -2.563 55.502 58.100 -0.058 0.000 1.157 341 Y CB 1.603 40.013 38.460 -0.085 0.000 1.277 341 Y HN -0.141 nan 8.280 nan 0.000 0.490 342 S N -0.670 115.072 115.700 0.070 0.000 2.616 342 S HA 0.368 4.835 4.470 -0.004 0.000 0.277 342 S C 0.778 175.344 174.600 -0.057 0.000 1.234 342 S CA -0.735 57.457 58.200 -0.014 0.000 1.028 342 S CB 1.382 64.567 63.200 -0.025 0.000 0.988 342 S HN 0.354 nan 8.310 nan 0.000 0.522 343 V N 1.954 121.799 119.914 -0.115 0.000 2.469 343 V HA -0.189 3.928 4.120 -0.004 0.000 0.251 343 V C 2.545 178.565 176.094 -0.124 0.000 1.064 343 V CA 1.946 64.125 62.300 -0.201 0.000 1.066 343 V CB -1.287 30.283 31.823 -0.421 0.000 0.667 343 V HN 0.895 nan 8.190 nan 0.000 0.461 344 V N -1.345 118.535 119.914 -0.056 0.000 2.427 344 V HA -0.183 3.935 4.120 -0.004 0.000 0.248 344 V C 2.337 178.371 176.094 -0.100 0.000 1.051 344 V CA 1.971 64.244 62.300 -0.046 0.000 1.048 344 V CB -0.877 30.931 31.823 -0.024 0.000 0.666 344 V HN 0.468 nan 8.190 nan 0.000 0.456 345 L N 0.009 121.155 121.223 -0.128 0.000 2.072 345 L HA 0.051 4.389 4.340 -0.004 0.000 0.205 345 L C 2.282 179.006 176.870 -0.244 0.000 1.079 345 L CA 1.725 56.442 54.840 -0.205 0.000 0.752 345 L CB -0.667 41.224 42.059 -0.280 0.000 0.906 345 L HN 0.256 nan 8.230 nan 0.000 0.436 346 L N -1.090 120.023 121.223 -0.182 0.000 2.083 346 L HA -0.225 4.112 4.340 -0.004 0.000 0.209 346 L C 2.490 179.220 176.870 -0.233 0.000 1.083 346 L CA 1.160 55.874 54.840 -0.210 0.000 0.752 346 L CB -0.485 41.496 42.059 -0.130 0.000 0.899 346 L HN 0.322 nan 8.230 nan 0.000 0.433 347 L N -0.879 120.244 121.223 -0.165 0.000 2.141 347 L HA -0.163 4.175 4.340 -0.004 0.000 0.209 347 L C 2.720 179.513 176.870 -0.127 0.000 1.094 347 L CA 1.017 55.788 54.840 -0.116 0.000 0.763 347 L CB -0.400 41.622 42.059 -0.063 0.000 0.908 347 L HN 0.205 nan 8.230 nan 0.000 0.437 348 R N -0.046 120.357 120.500 -0.162 0.000 2.115 348 R HA -0.083 4.255 4.340 -0.004 0.000 0.230 348 R C 2.222 178.387 176.300 -0.226 0.000 1.111 348 R CA 1.031 57.034 56.100 -0.162 0.000 0.976 348 R CB -0.182 30.022 30.300 -0.161 0.000 0.870 348 R HN 0.337 nan 8.270 nan 0.000 0.445 349 L N -0.412 120.582 121.223 -0.382 0.000 2.095 349 L HA 0.001 4.338 4.340 -0.004 0.000 0.204 349 L C 2.652 179.294 176.870 -0.380 0.000 1.080 349 L CA 0.952 55.400 54.840 -0.653 0.000 0.759 349 L CB -0.644 40.692 42.059 -1.204 0.000 0.914 349 L HN 0.168 nan 8.230 nan 0.000 0.439 350 A N 0.658 123.366 122.820 -0.186 0.000 1.877 350 A HA -0.260 4.058 4.320 -0.004 0.000 0.216 350 A C 2.336 179.925 177.584 0.008 0.000 1.186 350 A CA 2.064 54.119 52.037 0.030 0.000 0.620 350 A CB -0.476 18.567 19.000 0.072 0.000 0.822 350 A HN 0.214 nan 8.150 nan 0.000 0.443 351 K N -0.249 120.137 120.400 -0.023 0.000 2.074 351 K HA -0.123 4.194 4.320 -0.004 0.000 0.209 351 K C 1.946 178.545 176.600 -0.002 0.000 1.048 351 K CA 2.429 58.715 56.287 -0.002 0.000 0.926 351 K CB -1.097 31.393 32.500 -0.016 0.000 0.713 351 K HN 0.446 nan 8.250 nan 0.000 0.444 352 T N -0.227 114.322 114.554 -0.007 0.000 2.821 352 T HA -0.129 4.218 4.350 -0.004 0.000 0.267 352 T C 1.395 176.138 174.700 0.072 0.000 1.046 352 T CA 1.368 63.497 62.100 0.049 0.000 1.139 352 T CB -0.509 68.431 68.868 0.120 0.000 0.871 352 T HN 0.293 nan 8.240 nan 0.000 0.454 353 Y N 1.946 122.181 120.300 -0.109 0.000 2.224 353 Y HA -0.099 4.448 4.550 -0.004 0.000 0.289 353 Y C 2.507 178.254 175.900 -0.255 0.000 1.146 353 Y CA 1.500 59.445 58.100 -0.258 0.000 1.182 353 Y CB -0.210 37.838 38.460 -0.687 0.000 0.983 353 Y HN 0.260 nan 8.280 nan 0.000 0.524 354 E N -0.723 119.398 120.200 -0.133 0.000 2.072 354 E HA -0.187 4.160 4.350 -0.004 0.000 0.191 354 E C 1.942 178.451 176.600 -0.150 0.000 0.985 354 E CA 2.068 58.376 56.400 -0.155 0.000 0.801 354 E CB -0.141 29.581 29.700 0.037 0.000 0.750 354 E HN 0.612 nan 8.360 nan 0.000 0.452 355 T N -1.525 112.982 114.554 -0.078 0.000 2.821 355 T HA -0.081 4.266 4.350 -0.004 0.000 0.267 355 T C 2.009 176.649 174.700 -0.100 0.000 1.046 355 T CA 1.558 63.626 62.100 -0.053 0.000 1.139 355 T CB -0.694 68.164 68.868 -0.016 0.000 0.871 355 T HN 0.019 nan 8.240 nan 0.000 0.454 356 T N 2.135 116.602 114.554 -0.145 0.000 2.833 356 T HA 0.136 4.484 4.350 -0.004 0.000 0.269 356 T C 1.835 176.401 174.700 -0.224 0.000 1.054 356 T CA 0.837 62.848 62.100 -0.149 0.000 1.135 356 T CB -0.406 68.384 68.868 -0.130 0.000 0.869 356 T HN 0.297 nan 8.240 nan 0.000 0.466 357 L N 0.542 121.505 121.223 -0.433 0.000 2.044 357 L HA -0.004 4.333 4.340 -0.004 0.000 0.205 357 L C 2.843 179.547 176.870 -0.276 0.000 1.075 357 L CA 1.009 55.509 54.840 -0.568 0.000 0.747 357 L CB -0.440 40.861 42.059 -1.263 0.000 0.903 357 L HN 0.146 nan 8.230 nan 0.000 0.435 358 E N 0.456 120.573 120.200 -0.139 0.000 2.171 358 E HA -0.284 4.063 4.350 -0.004 0.000 0.197 358 E C 1.967 178.583 176.600 0.027 0.000 0.997 358 E CA 1.349 57.792 56.400 0.072 0.000 0.810 358 E CB -0.033 29.720 29.700 0.088 0.000 0.738 358 E HN 0.472 nan 8.360 nan 0.000 0.467 359 K N 0.283 120.671 120.400 -0.019 0.000 2.063 359 K HA -0.031 4.287 4.320 -0.004 0.000 0.204 359 K C 2.306 178.901 176.600 -0.007 0.000 1.039 359 K CA 1.140 57.421 56.287 -0.010 0.000 0.957 359 K CB -0.262 32.227 32.500 -0.018 0.000 0.764 359 K HN 0.057 nan 8.250 nan 0.000 0.447 360 c N 1.133 119.726 118.600 -0.012 0.000 2.440 360 c HA -0.039 4.528 4.570 -0.004 0.000 0.278 360 c C 2.625 176.733 174.090 0.030 0.000 1.295 360 c CA 0.360 56.699 56.329 0.018 0.000 1.738 360 c CB -0.917 41.641 42.510 0.079 0.000 1.987 360 c HN 0.642 nan 8.230 nan 0.000 0.492 361 c N 0.881 119.501 118.600 0.033 0.000 2.511 361 c HA 0.190 4.757 4.570 -0.004 0.000 0.277 361 c C 2.413 176.522 174.090 0.032 0.000 1.451 361 c CA 0.983 57.342 56.329 0.049 0.000 1.735 361 c CB -1.982 40.585 42.510 0.094 0.000 1.704 361 c HN 0.724 nan 8.230 nan 0.000 0.571 362 A N -0.424 122.406 122.820 0.017 0.000 2.211 362 A HA 0.625 4.942 4.320 -0.004 0.000 0.208 362 A C 1.233 178.812 177.584 -0.008 0.000 1.250 362 A CA 0.654 52.695 52.037 0.007 0.000 0.935 362 A CB -0.333 18.675 19.000 0.013 0.000 0.982 362 A HN 0.440 nan 8.150 nan 0.000 0.490 363 A N -0.342 122.468 122.820 -0.016 0.000 2.386 363 A HA 0.544 4.861 4.320 -0.004 0.000 0.246 363 A C 1.710 179.270 177.584 -0.041 0.000 1.089 363 A CA 0.389 52.410 52.037 -0.028 0.000 0.790 363 A CB -0.256 18.724 19.000 -0.034 0.000 1.042 363 A HN 1.358 nan 8.150 nan 0.000 0.497 364 A N 0.538 123.335 122.820 -0.038 0.000 1.877 364 A HA -0.144 4.173 4.320 -0.004 0.000 0.218 364 A C 0.710 178.256 177.584 -0.064 0.000 1.301 364 A CA 2.068 54.081 52.037 -0.040 0.000 0.699 364 A CB -0.565 18.415 19.000 -0.033 0.000 0.844 364 A HN 0.760 nan 8.150 nan 0.000 0.464 365 D N -1.156 119.194 120.400 -0.083 0.000 2.461 365 D HA 0.415 5.052 4.640 -0.004 0.000 0.240 365 D C -1.931 174.238 176.300 -0.218 0.000 1.094 365 D CA -1.428 52.491 54.000 -0.134 0.000 0.868 365 D CB 1.340 42.096 40.800 -0.073 0.000 1.062 365 D HN 0.021 nan 8.370 nan 0.000 0.530 366 P HA -0.181 nan 4.420 nan 0.000 0.213 366 P C 0.948 177.776 177.300 -0.786 0.000 1.170 366 P CA 1.456 64.333 63.100 -0.372 0.000 0.902 366 P CB 0.153 31.714 31.700 -0.233 0.000 0.789 367 H N -1.169 117.533 119.070 -0.614 0.000 2.472 367 H HA -0.191 4.362 4.556 -0.004 0.000 0.296 367 H C 2.027 177.043 175.328 -0.519 0.000 1.120 367 H CA 1.347 56.980 56.048 -0.692 0.000 1.250 367 H CB -0.275 29.335 29.762 -0.253 0.000 1.366 367 H HN 0.341 nan 8.280 nan 0.000 0.524 368 E N 0.078 120.119 120.200 -0.266 0.000 2.060 368 E HA -0.108 4.239 4.350 -0.004 0.000 0.189 368 E C 2.230 178.738 176.600 -0.153 0.000 0.974 368 E CA 1.084 57.390 56.400 -0.156 0.000 0.808 368 E CB 0.142 29.788 29.700 -0.089 0.000 0.768 368 E HN 0.639 nan 8.360 nan 0.000 0.453 369 c N 0.532 119.030 118.600 -0.170 0.000 2.492 369 c HA 0.070 4.637 4.570 -0.004 0.000 0.279 369 c C 2.665 176.748 174.090 -0.011 0.000 1.335 369 c CA 0.059 56.342 56.329 -0.077 0.000 1.734 369 c CB -1.511 40.972 42.510 -0.045 0.000 2.027 369 c HN 0.579 nan 8.230 nan 0.000 0.496 370 Y N 2.419 122.711 120.300 -0.013 0.000 2.571 370 Y HA 0.383 4.931 4.550 -0.004 0.000 0.294 370 Y C 2.190 178.123 175.900 0.056 0.000 1.141 370 Y CA -0.002 58.096 58.100 -0.005 0.000 1.308 370 Y CB -1.474 36.967 38.460 -0.032 0.000 1.002 370 Y HN 0.265 nan 8.280 nan 0.000 0.551 371 A N 1.175 124.061 122.820 0.109 0.000 2.186 371 A HA -0.151 4.166 4.320 -0.004 0.000 0.219 371 A C 1.995 179.657 177.584 0.129 0.000 1.159 371 A CA 1.524 53.645 52.037 0.140 0.000 0.680 371 A CB -0.561 18.450 19.000 0.018 0.000 0.787 371 A HN 0.597 nan 8.150 nan 0.000 0.467 372 K N -0.917 119.540 120.400 0.096 0.000 2.356 372 K HA 0.190 4.507 4.320 -0.004 0.000 0.195 372 K C 1.513 178.132 176.600 0.031 0.000 1.037 372 K CA 0.486 56.808 56.287 0.059 0.000 1.014 372 K CB -0.041 32.473 32.500 0.024 0.000 0.815 372 K HN 0.185 nan 8.250 nan 0.000 0.507 373 V N 1.465 121.395 119.914 0.027 0.000 2.243 373 V HA -0.339 3.779 4.120 -0.004 0.000 0.258 373 V C 1.749 177.460 176.094 -0.640 0.000 1.073 373 V CA 2.117 64.283 62.300 -0.223 0.000 1.069 373 V CB -0.656 31.096 31.823 -0.119 0.000 0.681 373 V HN 0.240 nan 8.190 nan 0.000 0.457 374 F N 0.063 119.683 119.950 -0.550 0.000 2.664 374 F HA -0.096 4.428 4.527 -0.005 0.000 0.297 374 F C 1.898 177.589 175.800 -0.181 0.000 1.164 374 F CA 1.618 59.344 58.000 -0.457 0.000 1.472 374 F CB -0.589 38.390 39.000 -0.035 0.000 1.108 374 F HN 0.267 nan 8.300 nan 0.000 0.596 375 D N -0.636 119.748 120.400 -0.027 0.000 2.324 375 D HA -0.032 4.606 4.640 -0.004 0.000 0.212 375 D C 1.966 178.272 176.300 0.011 0.000 0.984 375 D CA 0.604 54.624 54.000 0.033 0.000 0.885 375 D CB 0.083 40.902 40.800 0.031 0.000 0.996 375 D HN 0.202 nan 8.370 nan 0.000 0.505 376 E N -0.599 119.557 120.200 -0.074 0.000 2.274 376 E HA -0.094 4.253 4.350 -0.004 0.000 0.194 376 E C 1.285 177.983 176.600 0.164 0.000 0.996 376 E CA 0.329 56.735 56.400 0.009 0.000 0.840 376 E CB 0.057 29.746 29.700 -0.019 0.000 0.772 376 E HN 0.311 nan 8.360 nan 0.000 0.491 377 F N 1.724 121.658 119.950 -0.027 0.000 2.186 377 F HA -0.093 4.432 4.527 -0.004 0.000 0.299 377 F C 2.033 177.804 175.800 -0.048 0.000 1.090 377 F CA 0.727 58.684 58.000 -0.071 0.000 1.307 377 F CB -0.710 38.237 39.000 -0.089 0.000 1.019 377 F HN -0.090 nan 8.300 nan 0.000 0.489 378 K N 0.126 120.645 120.400 0.197 0.000 2.000 378 K HA -0.216 4.102 4.320 -0.004 0.000 0.218 378 K C -0.174 176.456 176.600 0.051 0.000 1.053 378 K CA 2.178 58.532 56.287 0.111 0.000 0.946 378 K CB -1.762 30.798 32.500 0.100 0.000 0.723 378 K HN 0.166 nan 8.250 nan 0.000 0.446 379 P HA -0.208 nan 4.420 nan 0.000 0.217 379 P C 1.365 178.658 177.300 -0.012 0.000 1.162 379 P CA 1.416 64.526 63.100 0.017 0.000 0.901 379 P CB -0.057 31.655 31.700 0.021 0.000 0.793 380 L N -1.456 119.754 121.223 -0.022 0.000 2.079 380 L HA -0.165 4.172 4.340 -0.004 0.000 0.210 380 L C 2.317 179.100 176.870 -0.144 0.000 1.081 380 L CA 1.437 56.227 54.840 -0.082 0.000 0.752 380 L CB -1.051 40.942 42.059 -0.111 0.000 0.896 380 L HN -0.086 nan 8.230 nan 0.000 0.433 381 V N -0.427 119.396 119.914 -0.152 0.000 2.453 381 V HA -0.197 3.920 4.120 -0.004 0.000 0.247 381 V C 2.248 178.260 176.094 -0.136 0.000 1.048 381 V CA 1.542 63.700 62.300 -0.237 0.000 1.049 381 V CB -0.437 31.259 31.823 -0.212 0.000 0.672 381 V HN 0.454 nan 8.190 nan 0.000 0.457 382 E N -0.290 119.873 120.200 -0.061 0.000 2.152 382 E HA -0.173 4.174 4.350 -0.004 0.000 0.192 382 E C 2.242 178.826 176.600 -0.026 0.000 0.983 382 E CA 0.644 57.028 56.400 -0.026 0.000 0.818 382 E CB -0.084 29.616 29.700 0.001 0.000 0.758 382 E HN 0.525 nan 8.360 nan 0.000 0.467 383 E N 1.028 121.207 120.200 -0.035 0.000 2.033 383 E HA -0.162 4.186 4.350 -0.004 0.000 0.199 383 E C -0.661 175.925 176.600 -0.022 0.000 1.011 383 E CA 1.597 57.983 56.400 -0.024 0.000 0.815 383 E CB -0.965 28.717 29.700 -0.030 0.000 0.755 383 E HN 0.142 nan 8.360 nan 0.000 0.451 384 P HA -0.129 nan 4.420 nan 0.000 0.216 384 P C 1.349 178.641 177.300 -0.014 0.000 1.150 384 P CA 1.618 64.697 63.100 -0.036 0.000 0.837 384 P CB -0.107 31.546 31.700 -0.079 0.000 0.786 385 Q N -0.715 119.073 119.800 -0.020 0.000 2.050 385 Q HA -0.173 4.164 4.340 -0.004 0.000 0.202 385 Q C 2.049 178.060 176.000 0.020 0.000 0.980 385 Q CA 1.532 57.338 55.803 0.006 0.000 0.840 385 Q CB -0.672 28.072 28.738 0.009 0.000 0.898 385 Q HN 0.426 nan 8.270 nan 0.000 0.424 386 N N 0.365 119.075 118.700 0.016 0.000 2.069 386 N HA -0.187 4.550 4.740 -0.004 0.000 0.191 386 N C 1.753 177.284 175.510 0.036 0.000 1.031 386 N CA 0.808 53.873 53.050 0.025 0.000 0.852 386 N CB -0.089 38.410 38.487 0.020 0.000 1.018 386 N HN 0.080 nan 8.380 nan 0.000 0.423 387 L N 0.952 122.197 121.223 0.037 0.000 2.093 387 L HA -0.095 4.242 4.340 -0.004 0.000 0.208 387 L C 1.726 178.638 176.870 0.070 0.000 1.085 387 L CA 1.191 56.064 54.840 0.056 0.000 0.755 387 L CB -0.214 41.877 42.059 0.054 0.000 0.904 387 L HN 0.165 nan 8.230 nan 0.000 0.435 388 I N -0.224 120.380 120.570 0.056 0.000 2.163 388 I HA -0.270 3.898 4.170 -0.004 0.000 0.240 388 I C 2.449 178.600 176.117 0.058 0.000 1.081 388 I CA 1.338 62.673 61.300 0.059 0.000 1.353 388 I CB -1.486 36.540 38.000 0.043 0.000 1.054 388 I HN 0.381 nan 8.210 nan 0.000 0.407 389 K N 0.916 121.345 120.400 0.049 0.000 2.001 389 K HA -0.277 4.040 4.320 -0.004 0.000 0.214 389 K C 2.235 178.866 176.600 0.052 0.000 1.050 389 K CA 2.072 58.386 56.287 0.046 0.000 0.934 389 K CB -0.248 32.276 32.500 0.039 0.000 0.718 389 K HN 0.339 nan 8.250 nan 0.000 0.443 390 Q N 0.458 120.293 119.800 0.058 0.000 2.061 390 Q HA -0.198 4.140 4.340 -0.004 0.000 0.204 390 Q C 1.711 177.768 176.000 0.095 0.000 0.984 390 Q CA 1.819 57.663 55.803 0.068 0.000 0.846 390 Q CB -0.136 28.642 28.738 0.067 0.000 0.902 390 Q HN 0.442 nan 8.270 nan 0.000 0.421 391 N N -0.563 118.210 118.700 0.121 0.000 2.396 391 N HA -0.092 4.646 4.740 -0.004 0.000 0.180 391 N C 1.660 177.234 175.510 0.106 0.000 1.028 391 N CA 0.878 54.044 53.050 0.194 0.000 0.893 391 N CB 0.028 38.662 38.487 0.245 0.000 0.967 391 N HN 0.349 nan 8.380 nan 0.000 0.440 392 c N 0.896 119.532 118.600 0.060 0.000 2.475 392 c HA 0.041 4.608 4.570 -0.004 0.000 0.279 392 c C 2.444 176.556 174.090 0.036 0.000 1.322 392 c CA 0.113 56.463 56.329 0.034 0.000 1.734 392 c CB -0.597 41.941 42.510 0.047 0.000 2.005 392 c HN 0.467 nan 8.230 nan 0.000 0.495 393 E N 0.599 120.819 120.200 0.032 0.000 2.012 393 E HA -0.268 4.080 4.350 -0.004 0.000 0.197 393 E C 1.983 178.575 176.600 -0.013 0.000 1.007 393 E CA 1.236 57.644 56.400 0.014 0.000 0.816 393 E CB -0.399 29.317 29.700 0.028 0.000 0.762 393 E HN 0.355 nan 8.360 nan 0.000 0.451 394 L N 0.672 121.908 121.223 0.022 0.000 2.103 394 L HA -0.233 4.104 4.340 -0.004 0.000 0.215 394 L C 2.110 178.924 176.870 -0.094 0.000 1.080 394 L CA 1.621 56.488 54.840 0.045 0.000 0.764 394 L CB -0.639 41.543 42.059 0.205 0.000 0.890 394 L HN 0.158 nan 8.230 nan 0.000 0.435 395 F N 0.583 120.241 119.950 -0.488 0.000 2.031 395 F HA -0.186 4.338 4.527 -0.004 0.000 0.295 395 F C 2.419 178.042 175.800 -0.296 0.000 1.133 395 F CA 1.880 59.453 58.000 -0.712 0.000 1.188 395 F CB -0.571 37.929 39.000 -0.833 0.000 0.974 395 F HN 0.150 nan 8.300 nan 0.000 0.473 396 E N 0.308 120.214 120.200 -0.491 0.000 2.219 396 E HA -0.273 4.074 4.350 -0.004 0.000 0.198 396 E C 2.046 178.430 176.600 -0.361 0.000 0.998 396 E CA 1.725 57.836 56.400 -0.481 0.000 0.818 396 E CB -0.487 29.110 29.700 -0.173 0.000 0.741 396 E HN 0.687 nan 8.360 nan 0.000 0.477 397 Q N -0.360 119.292 119.800 -0.248 0.000 2.165 397 Q HA 0.096 4.433 4.340 -0.004 0.000 0.197 397 Q C 2.383 178.306 176.000 -0.128 0.000 0.952 397 Q CA 0.545 56.261 55.803 -0.145 0.000 0.848 397 Q CB 0.202 28.901 28.738 -0.066 0.000 0.931 397 Q HN 0.221 nan 8.270 nan 0.000 0.470 398 L N -0.698 120.454 121.223 -0.118 0.000 2.202 398 L HA 0.234 4.571 4.340 -0.004 0.000 0.205 398 L C 0.954 177.791 176.870 -0.056 0.000 1.083 398 L CA 0.397 55.226 54.840 -0.018 0.000 0.790 398 L CB -0.267 41.861 42.059 0.115 0.000 0.942 398 L HN 0.293 nan 8.230 nan 0.000 0.452 399 G N 0.462 109.107 108.800 -0.259 0.000 2.730 399 G HA2 -0.258 3.699 3.960 -0.004 0.000 0.686 399 G HA3 -0.258 3.699 3.960 -0.004 0.000 0.686 399 G C 0.265 175.262 174.900 0.163 0.000 1.343 399 G CA 0.097 45.014 45.100 -0.304 0.000 0.826 399 G HN 0.278 nan 8.290 nan 0.000 0.582 400 E N -0.355 120.098 120.200 0.422 0.000 2.103 400 E HA -0.337 4.010 4.350 -0.004 0.000 0.229 400 E C 2.010 178.875 176.600 0.442 0.000 1.061 400 E CA 2.767 59.495 56.400 0.548 0.000 0.916 400 E CB -0.288 29.665 29.700 0.421 0.000 0.806 400 E HN 0.802 nan 8.360 nan 0.000 0.489 401 Y N 0.939 121.368 120.300 0.214 0.000 2.081 401 Y HA -0.248 4.299 4.550 -0.005 0.000 0.280 401 Y C 2.235 178.234 175.900 0.165 0.000 1.163 401 Y CA 2.347 60.544 58.100 0.161 0.000 1.135 401 Y CB -0.140 38.388 38.460 0.114 0.000 0.970 401 Y HN -0.009 nan 8.280 nan 0.000 0.498 402 K N -1.052 119.462 120.400 0.190 0.000 2.147 402 K HA -0.180 4.138 4.320 -0.004 0.000 0.205 402 K C 1.988 178.659 176.600 0.118 0.000 1.049 402 K CA 1.318 57.648 56.287 0.072 0.000 0.936 402 K CB -0.468 32.120 32.500 0.146 0.000 0.722 402 K HN 0.337 nan 8.250 nan 0.000 0.446 403 F N 2.454 122.440 119.950 0.060 0.000 2.146 403 F HA -0.185 4.339 4.527 -0.005 0.000 0.298 403 F C 2.037 177.870 175.800 0.054 0.000 1.096 403 F CA 1.525 59.586 58.000 0.101 0.000 1.275 403 F CB -0.245 38.898 39.000 0.239 0.000 1.008 403 F HN 0.012 nan 8.300 nan 0.000 0.480 404 Q N -0.020 119.758 119.800 -0.037 0.000 2.084 404 Q HA -0.219 4.118 4.340 -0.004 0.000 0.202 404 Q C 1.935 177.816 176.000 -0.198 0.000 0.978 404 Q CA 1.631 57.322 55.803 -0.188 0.000 0.844 404 Q CB -0.396 28.294 28.738 -0.080 0.000 0.898 404 Q HN 0.384 nan 8.270 nan 0.000 0.426 405 N N 0.578 119.148 118.700 -0.216 0.000 2.149 405 N HA -0.149 4.588 4.740 -0.004 0.000 0.188 405 N C 1.541 176.996 175.510 -0.091 0.000 1.019 405 N CA 1.394 54.334 53.050 -0.184 0.000 0.857 405 N CB -0.341 38.007 38.487 -0.232 0.000 0.997 405 N HN 0.270 nan 8.380 nan 0.000 0.426 406 A N 0.784 123.564 122.820 -0.068 0.000 1.898 406 A HA 0.006 4.324 4.320 -0.004 0.000 0.216 406 A C 2.319 179.870 177.584 -0.054 0.000 1.181 406 A CA 0.788 52.811 52.037 -0.024 0.000 0.620 406 A CB -0.649 18.381 19.000 0.050 0.000 0.819 406 A HN 0.213 nan 8.150 nan 0.000 0.442 407 L N -0.969 120.162 121.223 -0.154 0.000 2.141 407 L HA -0.129 4.208 4.340 -0.004 0.000 0.209 407 L C 2.478 179.372 176.870 0.041 0.000 1.094 407 L CA 0.590 55.382 54.840 -0.080 0.000 0.763 407 L CB -0.440 41.464 42.059 -0.258 0.000 0.908 407 L HN 0.403 nan 8.230 nan 0.000 0.437 408 L N -0.506 120.694 121.223 -0.037 0.000 1.994 408 L HA -0.177 4.160 4.340 -0.004 0.000 0.208 408 L C 2.413 179.298 176.870 0.026 0.000 1.071 408 L CA 1.707 56.541 54.840 -0.011 0.000 0.745 408 L CB -0.418 41.611 42.059 -0.050 0.000 0.892 408 L HN -0.086 nan 8.230 nan 0.000 0.431 409 V N -0.061 119.859 119.914 0.010 0.000 2.261 409 V HA -0.313 3.804 4.120 -0.004 0.000 0.246 409 V C 2.761 178.858 176.094 0.004 0.000 1.047 409 V CA 2.124 64.433 62.300 0.015 0.000 1.015 409 V CB -0.742 31.092 31.823 0.018 0.000 0.642 409 V HN 0.522 nan 8.190 nan 0.000 0.446 410 R N -1.107 119.391 120.500 -0.003 0.000 2.094 410 R HA -0.238 4.099 4.340 -0.004 0.000 0.239 410 R C 2.328 178.534 176.300 -0.156 0.000 1.137 410 R CA 2.418 58.477 56.100 -0.069 0.000 0.943 410 R CB -0.440 29.823 30.300 -0.060 0.000 0.850 410 R HN 0.551 nan 8.270 nan 0.000 0.433 411 Y N 0.195 120.462 120.300 -0.056 0.000 2.263 411 Y HA -0.107 4.440 4.550 -0.004 0.000 0.292 411 Y C 2.638 178.504 175.900 -0.058 0.000 1.130 411 Y CA 1.865 59.931 58.100 -0.056 0.000 1.179 411 Y CB -0.258 38.148 38.460 -0.090 0.000 0.998 411 Y HN 0.144 nan 8.280 nan 0.000 0.532 412 T N -0.208 114.378 114.554 0.054 0.000 2.759 412 T HA -0.194 4.153 4.350 -0.004 0.000 0.269 412 T C 1.744 176.401 174.700 -0.071 0.000 1.042 412 T CA 1.623 63.713 62.100 -0.018 0.000 1.140 412 T CB -0.166 68.690 68.868 -0.020 0.000 0.864 412 T HN 0.280 nan 8.240 nan 0.000 0.455 413 K N 0.852 121.219 120.400 -0.055 0.000 2.062 413 K HA 0.034 4.352 4.320 -0.004 0.000 0.205 413 K C 2.468 179.024 176.600 -0.075 0.000 1.051 413 K CA 0.903 57.157 56.287 -0.055 0.000 0.941 413 K CB -0.027 32.455 32.500 -0.031 0.000 0.719 413 K HN 0.239 nan 8.250 nan 0.000 0.440 414 K N 0.469 120.808 120.400 -0.101 0.000 2.009 414 K HA -0.114 4.203 4.320 -0.004 0.000 0.210 414 K C 1.121 177.690 176.600 -0.052 0.000 1.049 414 K CA 1.651 57.879 56.287 -0.099 0.000 0.929 414 K CB 0.115 32.502 32.500 -0.188 0.000 0.714 414 K HN 0.101 nan 8.250 nan 0.000 0.440 415 V N -2.147 117.747 119.914 -0.034 0.000 2.647 415 V HA 0.209 4.326 4.120 -0.004 0.000 0.305 415 V C -2.253 173.771 176.094 -0.116 0.000 1.162 415 V CA -1.245 61.038 62.300 -0.029 0.000 1.248 415 V CB 0.704 32.570 31.823 0.071 0.000 1.508 415 V HN -0.011 nan 8.190 nan 0.000 0.647 416 P HA -0.220 nan 4.420 nan 0.000 0.222 416 P C 1.028 178.032 177.300 -0.494 0.000 1.139 416 P CA 1.511 64.282 63.100 -0.547 0.000 0.790 416 P CB 0.415 31.404 31.700 -1.185 0.000 0.757 417 Q N -0.508 119.137 119.800 -0.258 0.000 2.212 417 Q HA 0.035 4.373 4.340 -0.004 0.000 0.199 417 Q C 0.876 176.864 176.000 -0.019 0.000 0.950 417 Q CA 0.206 55.961 55.803 -0.081 0.000 0.863 417 Q CB -0.808 27.946 28.738 0.026 0.000 0.944 417 Q HN 0.107 nan 8.270 nan 0.000 0.465 418 V N 1.476 121.391 119.914 0.000 0.000 2.752 418 V HA -0.101 4.017 4.120 -0.004 0.000 0.306 418 V C 0.721 176.815 176.094 0.001 0.000 1.099 418 V CA -0.033 62.294 62.300 0.045 0.000 1.240 418 V CB 0.673 32.527 31.823 0.052 0.000 0.887 418 V HN 0.191 nan 8.190 nan 0.000 0.499 419 S N 3.252 118.957 115.700 0.008 0.000 2.558 419 S HA -0.015 4.452 4.470 -0.004 0.000 0.287 419 S C 1.525 176.108 174.600 -0.028 0.000 1.321 419 S CA 0.246 58.437 58.200 -0.015 0.000 1.048 419 S CB 0.672 63.862 63.200 -0.016 0.000 0.844 419 S HN 0.954 nan 8.310 nan 0.000 0.512 420 T N 6.085 120.615 114.554 -0.041 0.000 2.746 420 T HA -0.050 4.297 4.350 -0.004 0.000 0.267 420 T C -1.014 173.660 174.700 -0.044 0.000 1.039 420 T CA 1.426 63.496 62.100 -0.050 0.000 1.142 420 T CB -1.169 67.659 68.868 -0.067 0.000 0.866 420 T HN 0.553 nan 8.240 nan 0.000 0.444 421 P HA -0.066 nan 4.420 nan 0.000 0.215 421 P C 1.685 178.963 177.300 -0.037 0.000 1.157 421 P CA 1.239 64.317 63.100 -0.036 0.000 0.868 421 P CB -0.266 31.413 31.700 -0.035 0.000 0.788 422 T N -0.160 114.372 114.554 -0.036 0.000 2.622 422 T HA -0.140 4.208 4.350 -0.004 0.000 0.266 422 T C 1.778 176.443 174.700 -0.058 0.000 1.047 422 T CA 1.170 63.246 62.100 -0.041 0.000 1.159 422 T CB -1.088 67.768 68.868 -0.021 0.000 0.863 422 T HN 0.020 nan 8.240 nan 0.000 0.422 423 L N 0.703 121.896 121.223 -0.050 0.000 1.990 423 L HA -0.165 4.173 4.340 -0.004 0.000 0.213 423 L C 2.716 179.543 176.870 -0.071 0.000 1.072 423 L CA 1.274 56.079 54.840 -0.059 0.000 0.755 423 L CB -0.863 41.174 42.059 -0.037 0.000 0.889 423 L HN 0.158 nan 8.230 nan 0.000 0.432 424 V N -0.083 119.800 119.914 -0.051 0.000 2.252 424 V HA -0.365 3.753 4.120 -0.004 0.000 0.249 424 V C 2.495 178.560 176.094 -0.049 0.000 1.056 424 V CA 2.317 64.592 62.300 -0.040 0.000 1.022 424 V CB -0.565 31.247 31.823 -0.019 0.000 0.641 424 V HN 0.538 nan 8.190 nan 0.000 0.445 425 E N -0.326 119.844 120.200 -0.049 0.000 2.110 425 E HA -0.189 4.159 4.350 -0.004 0.000 0.193 425 E C 2.150 178.697 176.600 -0.088 0.000 0.988 425 E CA 1.560 57.930 56.400 -0.050 0.000 0.804 425 E CB 0.008 29.682 29.700 -0.044 0.000 0.745 425 E HN 0.433 nan 8.360 nan 0.000 0.458 426 V N 0.456 120.289 119.914 -0.134 0.000 2.453 426 V HA -0.178 3.939 4.120 -0.004 0.000 0.247 426 V C 2.234 178.173 176.094 -0.258 0.000 1.048 426 V CA 1.769 63.940 62.300 -0.214 0.000 1.049 426 V CB -0.085 31.572 31.823 -0.277 0.000 0.672 426 V HN 0.249 nan 8.190 nan 0.000 0.457 427 S N -0.375 115.190 115.700 -0.224 0.000 2.387 427 S HA -0.100 4.367 4.470 -0.004 0.000 0.226 427 S C 2.051 176.561 174.600 -0.150 0.000 1.026 427 S CA 0.912 58.977 58.200 -0.226 0.000 0.972 427 S CB -0.252 62.855 63.200 -0.155 0.000 0.814 427 S HN 0.512 nan 8.310 nan 0.000 0.477 428 R N 1.682 122.129 120.500 -0.088 0.000 2.083 428 R HA -0.038 4.300 4.340 -0.004 0.000 0.237 428 R C 1.869 178.164 176.300 -0.008 0.000 1.137 428 R CA 1.466 57.550 56.100 -0.026 0.000 0.951 428 R CB -0.480 29.827 30.300 0.011 0.000 0.851 428 R HN 0.329 nan 8.270 nan 0.000 0.434 429 N N 0.784 119.467 118.700 -0.027 0.000 2.166 429 N HA -0.103 4.635 4.740 -0.004 0.000 0.186 429 N C 1.857 177.394 175.510 0.045 0.000 1.019 429 N CA 0.964 54.025 53.050 0.019 0.000 0.856 429 N CB -0.162 38.297 38.487 -0.046 0.000 0.993 429 N HN 0.190 nan 8.380 nan 0.000 0.426 430 L N -0.026 121.142 121.223 -0.092 0.000 2.093 430 L HA -0.029 4.309 4.340 -0.004 0.000 0.208 430 L C 2.303 179.165 176.870 -0.012 0.000 1.085 430 L CA 1.141 55.925 54.840 -0.093 0.000 0.755 430 L CB -0.697 41.186 42.059 -0.294 0.000 0.904 430 L HN 0.197 nan 8.230 nan 0.000 0.435 431 G N -0.221 108.523 108.800 -0.094 0.000 2.448 431 G HA2 -0.226 3.732 3.960 -0.004 0.000 0.219 431 G HA3 -0.226 3.732 3.960 -0.004 0.000 0.219 431 G C 1.589 176.602 174.900 0.188 0.000 1.127 431 G CA 0.345 45.398 45.100 -0.078 0.000 0.766 431 G HN 0.319 nan 8.290 nan 0.000 0.552 432 K N 0.085 120.558 120.400 0.121 0.000 2.362 432 K HA 0.060 4.378 4.320 -0.004 0.000 0.200 432 K C 2.327 178.857 176.600 -0.117 0.000 1.046 432 K CA 0.352 56.663 56.287 0.040 0.000 0.952 432 K CB -0.109 32.424 32.500 0.055 0.000 0.753 432 K HN 0.210 nan 8.250 nan 0.000 0.466 433 V N 1.369 121.278 119.914 -0.007 0.000 2.324 433 V HA -0.245 3.873 4.120 -0.004 0.000 0.250 433 V C 2.093 178.052 176.094 -0.225 0.000 1.060 433 V CA 2.442 64.674 62.300 -0.113 0.000 1.042 433 V CB -0.676 31.244 31.823 0.161 0.000 0.650 433 V HN 0.491 nan 8.190 nan 0.000 0.450 434 G N -0.823 107.787 108.800 -0.316 0.000 2.446 434 G HA2 -0.247 3.711 3.960 -0.004 0.000 0.217 434 G HA3 -0.247 3.711 3.960 -0.004 0.000 0.217 434 G C 1.693 175.970 174.900 -1.039 0.000 1.168 434 G CA 1.148 45.661 45.100 -0.977 0.000 0.771 434 G HN 0.620 nan 8.290 nan 0.000 0.551 435 S N 0.327 115.579 115.700 -0.747 0.000 2.481 435 S HA 0.052 4.519 4.470 -0.004 0.000 0.231 435 S C 2.007 176.476 174.600 -0.218 0.000 0.996 435 S CA 0.806 58.801 58.200 -0.343 0.000 0.942 435 S CB 0.070 63.197 63.200 -0.121 0.000 0.768 435 S HN 0.391 nan 8.310 nan 0.000 0.520 436 K N 0.274 120.522 120.400 -0.254 0.000 2.137 436 K HA 0.126 4.443 4.320 -0.004 0.000 0.202 436 K C 1.336 177.925 176.600 -0.018 0.000 1.052 436 K CA 1.158 57.341 56.287 -0.173 0.000 0.961 436 K CB 0.014 32.306 32.500 -0.346 0.000 0.741 436 K HN 0.410 nan 8.250 nan 0.000 0.452 437 c N -1.158 117.415 118.600 -0.045 0.000 3.637 437 c HA 0.166 4.733 4.570 -0.004 0.000 0.439 437 c C 2.237 176.399 174.090 0.120 0.000 1.443 437 c CA -0.685 55.744 56.329 0.166 0.000 2.037 437 c CB -0.476 42.050 42.510 0.026 0.000 2.957 437 c HN 0.454 nan 8.230 nan 0.000 0.669 438 c N 2.523 121.099 118.600 -0.039 0.000 2.511 438 c HA -0.039 4.529 4.570 -0.004 0.000 0.277 438 c C 2.236 176.346 174.090 0.033 0.000 1.451 438 c CA 0.871 57.204 56.329 0.005 0.000 1.735 438 c CB -1.884 40.624 42.510 -0.004 0.000 1.704 438 c HN 0.737 nan 8.230 nan 0.000 0.571 439 K N -0.280 120.102 120.400 -0.030 0.000 2.410 439 K HA 0.144 4.461 4.320 -0.004 0.000 0.200 439 K C 0.055 176.535 176.600 -0.200 0.000 1.023 439 K CA 0.177 56.404 56.287 -0.099 0.000 1.149 439 K CB -0.080 32.323 32.500 -0.162 0.000 0.859 439 K HN 0.526 nan 8.250 nan 0.000 0.514 440 H N 1.924 120.989 119.070 -0.008 0.000 2.499 440 H HA 0.304 4.857 4.556 -0.005 0.000 0.340 440 H C -2.398 172.930 175.328 0.000 0.000 1.148 440 H CA -2.187 53.856 56.048 -0.007 0.000 1.215 440 H CB 1.554 31.306 29.762 -0.015 0.000 1.529 440 H HN 0.045 nan 8.280 nan 0.000 0.510 441 P HA -0.024 nan 4.420 nan 0.000 0.266 441 P C 0.535 177.879 177.300 0.072 0.000 1.195 441 P CA 0.136 63.283 63.100 0.078 0.000 0.768 441 P CB 1.006 32.741 31.700 0.059 0.000 0.838 442 E N 1.457 121.689 120.200 0.053 0.000 2.395 442 E HA -0.313 4.035 4.350 -0.004 0.000 0.214 442 E C 1.599 178.227 176.600 0.047 0.000 1.076 442 E CA 1.948 58.377 56.400 0.048 0.000 0.855 442 E CB -0.217 29.507 29.700 0.040 0.000 0.745 442 E HN 0.572 nan 8.360 nan 0.000 0.485 443 A N 1.451 124.295 122.820 0.040 0.000 1.865 443 A HA -0.083 4.234 4.320 -0.004 0.000 0.216 443 A C 1.767 179.360 177.584 0.014 0.000 1.315 443 A CA 0.840 52.895 52.037 0.030 0.000 0.605 443 A CB -0.280 18.729 19.000 0.014 0.000 0.984 443 A HN 0.003 nan 8.150 nan 0.000 0.470 444 K N 0.136 120.531 120.400 -0.008 0.000 2.587 444 K HA -0.171 4.147 4.320 -0.004 0.000 0.196 444 K C 1.931 178.450 176.600 -0.135 0.000 1.046 444 K CA 1.035 57.271 56.287 -0.085 0.000 0.930 444 K CB -0.206 32.221 32.500 -0.121 0.000 0.771 444 K HN 0.386 nan 8.250 nan 0.000 0.492 445 R N 0.050 120.527 120.500 -0.037 0.000 2.062 445 R HA -0.007 4.330 4.340 -0.004 0.000 0.226 445 R C 2.326 178.616 176.300 -0.017 0.000 1.125 445 R CA 1.119 57.207 56.100 -0.021 0.000 0.966 445 R CB -0.241 30.079 30.300 0.033 0.000 0.861 445 R HN 0.252 nan 8.270 nan 0.000 0.433 446 M N 1.537 121.142 119.600 0.008 0.000 2.065 446 M HA -0.101 4.377 4.480 -0.004 0.000 0.259 446 M C -0.814 175.487 176.300 0.003 0.000 1.069 446 M CA 1.895 57.205 55.300 0.016 0.000 1.110 446 M CB -0.856 31.766 32.600 0.037 0.000 1.328 446 M HN -0.061 nan 8.290 nan 0.000 0.405 447 P HA -0.116 nan 4.420 nan 0.000 0.217 447 P C 1.799 179.081 177.300 -0.030 0.000 1.151 447 P CA 1.381 64.466 63.100 -0.026 0.000 0.828 447 P CB -0.487 31.184 31.700 -0.048 0.000 0.788 448 c N 0.032 118.589 118.600 -0.071 0.000 2.429 448 c HA 0.018 4.585 4.570 -0.004 0.000 0.277 448 c C 3.019 177.118 174.090 0.014 0.000 1.262 448 c CA 1.671 57.956 56.329 -0.074 0.000 1.733 448 c CB -1.671 40.719 42.510 -0.199 0.000 2.010 448 c HN 0.250 nan 8.230 nan 0.000 0.483 449 A N -0.549 122.283 122.820 0.019 0.000 1.850 449 A HA -0.058 4.259 4.320 -0.004 0.000 0.212 449 A C 2.216 179.860 177.584 0.101 0.000 1.208 449 A CA 1.352 53.433 52.037 0.073 0.000 0.609 449 A CB -0.921 18.110 19.000 0.052 0.000 0.860 449 A HN 0.691 nan 8.150 nan 0.000 0.448 450 E N -0.186 120.047 120.200 0.054 0.000 2.110 450 E HA -0.209 4.138 4.350 -0.004 0.000 0.193 450 E C 1.133 177.756 176.600 0.038 0.000 0.988 450 E CA 1.329 57.753 56.400 0.039 0.000 0.804 450 E CB -0.119 29.586 29.700 0.008 0.000 0.745 450 E HN 0.501 nan 8.360 nan 0.000 0.458 451 D N -0.643 119.787 120.400 0.051 0.000 2.224 451 D HA -0.139 4.498 4.640 -0.004 0.000 0.205 451 D C 1.588 177.927 176.300 0.064 0.000 0.965 451 D CA 0.604 54.640 54.000 0.060 0.000 0.852 451 D CB -0.087 40.754 40.800 0.070 0.000 0.947 451 D HN 0.282 nan 8.370 nan 0.000 0.494 452 Y N 1.418 121.709 120.300 -0.015 0.000 2.337 452 Y HA -0.026 4.522 4.550 -0.005 0.000 0.293 452 Y C 2.071 177.944 175.900 -0.046 0.000 1.123 452 Y CA 0.894 58.979 58.100 -0.026 0.000 1.201 452 Y CB -0.205 38.242 38.460 -0.023 0.000 1.011 452 Y HN -0.135 nan 8.280 nan 0.000 0.545 453 L N -0.977 120.189 121.223 -0.094 0.000 2.141 453 L HA -0.161 4.176 4.340 -0.004 0.000 0.209 453 L C 2.385 179.125 176.870 -0.217 0.000 1.094 453 L CA 1.240 55.972 54.840 -0.180 0.000 0.763 453 L CB -0.724 41.309 42.059 -0.044 0.000 0.908 453 L HN 0.094 nan 8.230 nan 0.000 0.437 454 S N -0.268 115.347 115.700 -0.142 0.000 2.382 454 S HA -0.124 4.343 4.470 -0.004 0.000 0.228 454 S C 2.058 176.545 174.600 -0.188 0.000 1.027 454 S CA 0.990 59.113 58.200 -0.127 0.000 0.991 454 S CB -0.170 62.991 63.200 -0.065 0.000 0.823 454 S HN 0.166 nan 8.310 nan 0.000 0.469 455 V N 1.367 121.137 119.914 -0.239 0.000 2.453 455 V HA -0.086 4.031 4.120 -0.004 0.000 0.247 455 V C 2.199 178.101 176.094 -0.321 0.000 1.048 455 V CA 1.231 63.371 62.300 -0.267 0.000 1.049 455 V CB -0.445 31.212 31.823 -0.277 0.000 0.672 455 V HN 0.353 nan 8.190 nan 0.000 0.457 456 V N -0.384 119.273 119.914 -0.428 0.000 2.488 456 V HA -0.139 3.979 4.120 -0.004 0.000 0.246 456 V C 2.159 178.045 176.094 -0.347 0.000 1.046 456 V CA 1.465 63.521 62.300 -0.407 0.000 1.053 456 V CB -0.427 31.101 31.823 -0.491 0.000 0.679 456 V HN 0.430 nan 8.190 nan 0.000 0.458 457 L N 0.494 121.510 121.223 -0.345 0.000 2.217 457 L HA -0.079 4.258 4.340 -0.004 0.000 0.211 457 L C 2.398 179.126 176.870 -0.236 0.000 1.107 457 L CA 1.363 55.979 54.840 -0.375 0.000 0.783 457 L CB -0.681 41.139 42.059 -0.398 0.000 0.919 457 L HN 0.399 nan 8.230 nan 0.000 0.442 458 N N 0.302 118.890 118.700 -0.186 0.000 2.120 458 N HA -0.254 4.484 4.740 -0.004 0.000 0.188 458 N C 1.870 177.298 175.510 -0.136 0.000 1.024 458 N CA 1.409 54.380 53.050 -0.132 0.000 0.852 458 N CB -0.033 38.366 38.487 -0.147 0.000 1.003 458 N HN 0.287 nan 8.380 nan 0.000 0.424 459 Q N -0.400 119.298 119.800 -0.171 0.000 2.014 459 Q HA -0.210 4.127 4.340 -0.004 0.000 0.207 459 Q C 2.004 177.927 176.000 -0.128 0.000 0.993 459 Q CA 1.918 57.632 55.803 -0.149 0.000 0.850 459 Q CB -0.387 28.251 28.738 -0.167 0.000 0.916 459 Q HN 0.445 nan 8.270 nan 0.000 0.417 460 L N 0.692 121.811 121.223 -0.173 0.000 2.013 460 L HA -0.244 4.093 4.340 -0.004 0.000 0.212 460 L C 2.352 179.190 176.870 -0.053 0.000 1.073 460 L CA 2.072 56.824 54.840 -0.148 0.000 0.753 460 L CB -1.131 40.761 42.059 -0.280 0.000 0.890 460 L HN 0.471 nan 8.230 nan 0.000 0.432 461 c N -1.105 117.467 118.600 -0.045 0.000 2.413 461 c HA -0.183 4.384 4.570 -0.004 0.000 0.277 461 c C 2.890 177.010 174.090 0.050 0.000 1.228 461 c CA 1.292 57.643 56.329 0.037 0.000 1.731 461 c CB -1.394 41.149 42.510 0.056 0.000 2.042 461 c HN 0.665 nan 8.230 nan 0.000 0.468 462 V N -0.128 119.780 119.914 -0.011 0.000 2.490 462 V HA -0.149 3.969 4.120 -0.004 0.000 0.250 462 V C 1.998 178.094 176.094 0.002 0.000 1.061 462 V CA 1.984 64.270 62.300 -0.024 0.000 1.064 462 V CB -0.962 30.804 31.823 -0.095 0.000 0.670 462 V HN 0.621 nan 8.190 nan 0.000 0.461 463 L N -0.168 121.059 121.223 0.006 0.000 2.313 463 L HA -0.019 4.318 4.340 -0.004 0.000 0.214 463 L C 2.626 179.528 176.870 0.053 0.000 1.119 463 L CA 1.825 56.672 54.840 0.012 0.000 0.809 463 L CB -0.646 41.406 42.059 -0.011 0.000 0.933 463 L HN 0.516 nan 8.230 nan 0.000 0.449 464 H N -0.307 118.753 119.070 -0.017 0.000 2.465 464 H HA -0.085 4.468 4.556 -0.004 0.000 0.289 464 H C 2.165 177.496 175.328 0.005 0.000 1.022 464 H CA 1.005 57.053 56.048 0.000 0.000 1.340 464 H CB 0.402 30.177 29.762 0.021 0.000 1.437 464 H HN 0.208 nan 8.280 nan 0.000 0.539 465 E N 0.739 121.004 120.200 0.109 0.000 2.130 465 E HA -0.226 4.121 4.350 -0.004 0.000 0.196 465 E C 1.732 178.315 176.600 -0.028 0.000 0.998 465 E CA 1.318 57.747 56.400 0.048 0.000 0.806 465 E CB 0.134 29.864 29.700 0.049 0.000 0.738 465 E HN 0.480 nan 8.360 nan 0.000 0.459 466 K N -0.376 120.007 120.400 -0.029 0.000 1.965 466 K HA -0.107 4.210 4.320 -0.004 0.000 0.218 466 K C 0.976 177.534 176.600 -0.070 0.000 1.048 466 K CA 1.737 58.005 56.287 -0.031 0.000 0.960 466 K CB -0.342 32.146 32.500 -0.021 0.000 0.732 466 K HN 0.174 nan 8.250 nan 0.000 0.444 467 T N 1.731 116.215 114.554 -0.115 0.000 3.145 467 T HA 0.270 4.617 4.350 -0.004 0.000 0.362 467 T C -2.595 171.926 174.700 -0.298 0.000 1.340 467 T CA -1.977 60.036 62.100 -0.144 0.000 1.069 467 T CB 1.040 69.850 68.868 -0.097 0.000 1.129 467 T HN -0.004 nan 8.240 nan 0.000 0.585 468 P HA 0.235 nan 4.420 nan 0.000 0.276 468 P C 0.252 177.397 177.300 -0.258 0.000 1.253 468 P CA -0.353 62.450 63.100 -0.493 0.000 0.766 468 P CB 1.721 33.297 31.700 -0.208 0.000 0.845 469 V N 1.896 121.678 119.914 -0.220 0.000 3.058 469 V HA 0.073 4.190 4.120 -0.004 0.000 0.233 469 V C 1.172 177.349 176.094 0.139 0.000 1.255 469 V CA 0.689 62.996 62.300 0.011 0.000 1.267 469 V CB -0.052 31.785 31.823 0.023 0.000 1.049 469 V HN 0.592 nan 8.190 nan 0.000 0.486 470 S N 0.970 116.865 115.700 0.325 0.000 2.475 470 S HA 0.153 4.620 4.470 -0.004 0.000 0.281 470 S C 0.595 175.302 174.600 0.179 0.000 1.198 470 S CA -0.504 57.819 58.200 0.205 0.000 1.063 470 S CB 0.709 63.991 63.200 0.136 0.000 0.972 470 S HN 0.427 nan 8.310 nan 0.000 0.486 471 D N 4.640 125.095 120.400 0.093 0.000 2.269 471 D HA -0.053 4.585 4.640 -0.004 0.000 0.208 471 D C 1.624 177.923 176.300 -0.002 0.000 0.963 471 D CA 0.747 54.782 54.000 0.058 0.000 0.864 471 D CB 0.109 40.931 40.800 0.037 0.000 0.936 471 D HN 0.650 nan 8.370 nan 0.000 0.505 472 R N 0.634 121.114 120.500 -0.033 0.000 2.115 472 R HA 0.005 4.342 4.340 -0.004 0.000 0.226 472 R C 2.433 178.616 176.300 -0.195 0.000 1.100 472 R CA 0.350 56.387 56.100 -0.105 0.000 0.980 472 R CB -0.224 30.019 30.300 -0.095 0.000 0.875 472 R HN 0.023 nan 8.270 nan 0.000 0.445 473 V N 0.610 120.423 119.914 -0.168 0.000 2.379 473 V HA -0.207 3.910 4.120 -0.004 0.000 0.245 473 V C 2.093 178.074 176.094 -0.188 0.000 1.044 473 V CA 2.057 64.231 62.300 -0.209 0.000 1.036 473 V CB -0.393 31.102 31.823 -0.547 0.000 0.664 473 V HN 0.355 nan 8.190 nan 0.000 0.453 474 T N -0.333 114.155 114.554 -0.110 0.000 2.674 474 T HA -0.221 4.126 4.350 -0.004 0.000 0.265 474 T C 2.005 176.698 174.700 -0.011 0.000 1.039 474 T CA 1.848 63.967 62.100 0.031 0.000 1.150 474 T CB -0.201 68.743 68.868 0.126 0.000 0.864 474 T HN 0.408 nan 8.240 nan 0.000 0.427 475 K N 0.394 120.763 120.400 -0.051 0.000 2.002 475 K HA -0.119 4.198 4.320 -0.004 0.000 0.209 475 K C 2.505 179.044 176.600 -0.102 0.000 1.048 475 K CA 1.593 57.841 56.287 -0.065 0.000 0.930 475 K CB -0.645 31.805 32.500 -0.082 0.000 0.714 475 K HN 0.333 nan 8.250 nan 0.000 0.438 476 c N 0.712 119.174 118.600 -0.230 0.000 2.422 476 c HA -0.124 4.444 4.570 -0.004 0.000 0.279 476 c C 3.005 177.034 174.090 -0.101 0.000 1.305 476 c CA 0.600 56.741 56.329 -0.313 0.000 1.757 476 c CB -1.027 40.946 42.510 -0.894 0.000 1.962 476 c HN 0.646 nan 8.230 nan 0.000 0.499 477 c N -0.639 117.961 118.600 -0.000 0.000 2.476 477 c HA -0.063 4.504 4.570 -0.004 0.000 0.278 477 c C 2.885 177.095 174.090 0.200 0.000 1.274 477 c CA 1.479 57.890 56.329 0.136 0.000 1.713 477 c CB -1.482 41.110 42.510 0.137 0.000 2.039 477 c HN 0.647 nan 8.230 nan 0.000 0.484 478 T N 0.254 114.887 114.554 0.132 0.000 2.812 478 T HA -0.149 4.199 4.350 -0.004 0.000 0.264 478 T C 1.687 176.486 174.700 0.165 0.000 1.042 478 T CA 1.446 63.620 62.100 0.123 0.000 1.140 478 T CB -0.277 68.614 68.868 0.038 0.000 0.870 478 T HN 0.549 nan 8.240 nan 0.000 0.445 479 E N 0.735 121.001 120.200 0.109 0.000 2.160 479 E HA -0.023 4.325 4.350 -0.004 0.000 0.195 479 E C 0.513 177.201 176.600 0.146 0.000 0.991 479 E CA 0.594 57.048 56.400 0.091 0.000 0.810 479 E CB 0.193 29.904 29.700 0.018 0.000 0.742 479 E HN 0.260 nan 8.360 nan 0.000 0.466 480 S N -2.389 113.417 115.700 0.176 0.000 2.580 480 S HA 0.178 4.645 4.470 -0.004 0.000 0.281 480 S C -0.320 174.181 174.600 -0.166 0.000 1.129 480 S CA -0.759 57.486 58.200 0.075 0.000 0.862 480 S CB 0.644 63.845 63.200 0.003 0.000 1.090 480 S HN 0.120 nan 8.310 nan 0.000 0.451 481 L N 5.092 125.981 121.223 -0.558 0.000 2.168 481 L HA 0.273 4.610 4.340 -0.004 0.000 0.203 481 L C 2.190 178.857 176.870 -0.339 0.000 1.078 481 L CA 2.301 56.659 54.840 -0.804 0.000 0.780 481 L CB -0.247 41.056 42.059 -1.260 0.000 0.939 481 L HN 0.810 nan 8.230 nan 0.000 0.451 482 V N -3.265 116.513 119.914 -0.226 0.000 2.951 482 V HA 0.008 4.125 4.120 -0.004 0.000 0.255 482 V C 1.479 177.526 176.094 -0.080 0.000 1.088 482 V CA 1.687 63.915 62.300 -0.120 0.000 1.109 482 V CB -1.143 30.628 31.823 -0.087 0.000 0.724 482 V HN 0.534 nan 8.190 nan 0.000 0.471 483 N N -0.001 118.655 118.700 -0.073 0.000 2.322 483 N HA 0.192 4.929 4.740 -0.004 0.000 0.194 483 N C 1.711 177.210 175.510 -0.018 0.000 1.126 483 N CA -0.158 52.865 53.050 -0.044 0.000 0.845 483 N CB -0.014 38.449 38.487 -0.041 0.000 0.976 483 N HN 0.437 nan 8.380 nan 0.000 0.475 484 R N 0.768 121.265 120.500 -0.006 0.000 2.091 484 R HA -0.073 4.264 4.340 -0.004 0.000 0.238 484 R C 2.226 178.638 176.300 0.187 0.000 1.136 484 R CA 1.175 57.326 56.100 0.085 0.000 0.959 484 R CB -0.017 30.336 30.300 0.088 0.000 0.856 484 R HN 0.151 nan 8.270 nan 0.000 0.437 485 R N 0.475 121.040 120.500 0.107 0.000 2.062 485 R HA -0.056 4.281 4.340 -0.004 0.000 0.231 485 R C -0.869 175.501 176.300 0.117 0.000 1.136 485 R CA 1.481 57.654 56.100 0.122 0.000 0.948 485 R CB -1.258 29.073 30.300 0.051 0.000 0.845 485 R HN 0.156 nan 8.270 nan 0.000 0.430 486 P HA -0.101 nan 4.420 nan 0.000 0.218 486 P C 1.608 178.917 177.300 0.016 0.000 1.149 486 P CA 0.914 64.029 63.100 0.024 0.000 0.817 486 P CB -0.212 31.483 31.700 -0.008 0.000 0.785 487 c N -1.987 116.611 118.600 -0.004 0.000 2.453 487 c HA -0.111 4.456 4.570 -0.004 0.000 0.277 487 c C 2.378 176.397 174.090 -0.119 0.000 1.262 487 c CA 0.666 56.939 56.329 -0.093 0.000 1.718 487 c CB -2.058 40.351 42.510 -0.170 0.000 2.031 487 c HN 0.068 nan 8.230 nan 0.000 0.480 488 F N 1.230 121.178 119.950 -0.004 0.000 2.186 488 F HA -0.044 4.481 4.527 -0.004 0.000 0.299 488 F C 2.776 178.561 175.800 -0.025 0.000 1.090 488 F CA 1.835 59.843 58.000 0.013 0.000 1.307 488 F CB -0.600 38.460 39.000 0.101 0.000 1.019 488 F HN 0.131 nan 8.300 nan 0.000 0.489 489 S N -0.285 115.515 115.700 0.167 0.000 2.382 489 S HA -0.151 4.317 4.470 -0.004 0.000 0.228 489 S C 2.242 176.846 174.600 0.006 0.000 1.027 489 S CA 1.014 59.257 58.200 0.072 0.000 0.991 489 S CB -0.550 62.693 63.200 0.071 0.000 0.823 489 S HN 0.347 nan 8.310 nan 0.000 0.469 490 A N 0.770 123.586 122.820 -0.007 0.000 2.168 490 A HA 0.238 4.556 4.320 -0.004 0.000 0.215 490 A C 0.888 178.442 177.584 -0.051 0.000 1.152 490 A CA 0.255 52.273 52.037 -0.031 0.000 0.716 490 A CB -0.403 18.576 19.000 -0.034 0.000 0.794 490 A HN 0.397 nan 8.150 nan 0.000 0.465 491 L N 0.445 121.628 121.223 -0.067 0.000 2.492 491 L HA 0.083 4.421 4.340 -0.004 0.000 0.280 491 L C 0.592 177.418 176.870 -0.073 0.000 1.240 491 L CA 0.280 55.073 54.840 -0.079 0.000 0.831 491 L CB 0.241 42.247 42.059 -0.087 0.000 1.100 491 L HN 0.406 nan 8.230 nan 0.000 0.505 492 E N 0.180 120.344 120.200 -0.061 0.000 2.404 492 E HA 0.267 4.615 4.350 -0.004 0.000 0.264 492 E C -1.130 175.442 176.600 -0.046 0.000 0.946 492 E CA -0.918 55.452 56.400 -0.050 0.000 0.806 492 E CB 2.205 31.887 29.700 -0.030 0.000 1.334 492 E HN 0.278 nan 8.360 nan 0.000 0.429 493 V N 1.642 121.537 119.914 -0.031 0.000 2.673 493 V HA -0.042 4.075 4.120 -0.004 0.000 0.303 493 V C -0.059 176.038 176.094 0.005 0.000 1.046 493 V CA 0.269 62.560 62.300 -0.015 0.000 1.126 493 V CB 0.670 32.495 31.823 0.003 0.000 0.934 493 V HN 0.533 nan 8.190 nan 0.000 0.487 494 D N 4.713 125.123 120.400 0.017 0.000 2.338 494 D HA 0.049 4.686 4.640 -0.004 0.000 0.255 494 D C 0.836 177.190 176.300 0.091 0.000 1.237 494 D CA 0.354 54.382 54.000 0.047 0.000 0.883 494 D CB 1.393 42.219 40.800 0.044 0.000 1.087 494 D HN 0.886 nan 8.370 nan 0.000 0.485 495 E N 2.114 122.353 120.200 0.064 0.000 2.112 495 E HA -0.128 4.219 4.350 -0.004 0.000 0.190 495 E C 1.117 177.759 176.600 0.071 0.000 0.979 495 E CA 0.775 57.212 56.400 0.061 0.000 0.814 495 E CB 0.358 30.079 29.700 0.035 0.000 0.762 495 E HN 0.438 nan 8.360 nan 0.000 0.460 496 T N 0.435 115.035 114.554 0.076 0.000 2.759 496 T HA -0.218 4.129 4.350 -0.004 0.000 0.269 496 T C 0.429 175.192 174.700 0.105 0.000 1.042 496 T CA 0.855 63.000 62.100 0.076 0.000 1.140 496 T CB -0.454 68.459 68.868 0.076 0.000 0.864 496 T HN 0.251 nan 8.240 nan 0.000 0.455 497 Y N 2.594 122.905 120.300 0.017 0.000 2.810 497 Y HA 0.201 4.748 4.550 -0.004 0.000 0.332 497 Y C 0.022 175.939 175.900 0.028 0.000 1.243 497 Y CA -1.012 57.102 58.100 0.023 0.000 1.537 497 Y CB 0.223 38.696 38.460 0.023 0.000 1.265 497 Y HN -0.072 nan 8.280 nan 0.000 0.572 498 V N 9.767 129.294 119.914 -0.646 0.000 2.347 498 V HA 0.495 4.613 4.120 -0.004 0.000 0.280 498 V C -2.448 173.118 176.094 -0.879 0.000 1.021 498 V CA -2.236 59.728 62.300 -0.561 0.000 0.847 498 V CB 0.811 32.499 31.823 -0.225 0.000 0.990 498 V HN 0.780 nan 8.190 nan 0.000 0.444 499 P HA 0.330 nan 4.420 nan 0.000 0.275 499 P C -1.337 175.947 177.300 -0.026 0.000 1.228 499 P CA -0.364 62.569 63.100 -0.278 0.000 0.786 499 P CB 0.482 32.141 31.700 -0.068 0.000 0.927 500 K N 2.189 122.689 120.400 0.166 0.000 2.292 500 K HA 0.097 4.414 4.320 -0.004 0.000 0.270 500 K C 0.959 177.706 176.600 0.245 0.000 1.062 500 K CA -0.302 56.102 56.287 0.195 0.000 0.916 500 K CB 0.375 33.011 32.500 0.226 0.000 1.166 500 K HN 0.282 nan 8.250 nan 0.000 0.458 501 E N 3.393 123.660 120.200 0.112 0.000 2.507 501 E HA -0.287 4.061 4.350 -0.004 0.000 0.243 501 E C -0.731 175.845 176.600 -0.041 0.000 0.925 501 E CA 2.276 58.712 56.400 0.061 0.000 1.067 501 E CB -0.082 29.651 29.700 0.055 0.000 1.075 501 E HN 0.494 nan 8.360 nan 0.000 0.528 502 F N -0.631 119.173 119.950 -0.244 0.000 2.775 502 F HA 0.297 4.821 4.527 -0.004 0.000 0.339 502 F C -1.819 173.938 175.800 -0.072 0.000 1.159 502 F CA -0.735 57.070 58.000 -0.325 0.000 1.145 502 F CB 0.565 39.400 39.000 -0.275 0.000 1.408 502 F HN -0.017 nan 8.300 nan 0.000 0.597 503 N N 4.506 122.952 118.700 -0.423 0.000 2.419 503 N HA 0.557 5.294 4.740 -0.004 0.000 0.264 503 N C 0.671 175.942 175.510 -0.398 0.000 1.031 503 N CA 0.359 53.258 53.050 -0.251 0.000 0.951 503 N CB 1.956 40.351 38.487 -0.154 0.000 1.101 503 N HN 0.684 nan 8.380 nan 0.000 0.488 504 A N 2.218 124.951 122.820 -0.146 0.000 1.898 504 A HA -0.182 4.135 4.320 -0.004 0.000 0.216 504 A C 1.939 179.511 177.584 -0.020 0.000 1.181 504 A CA 1.308 53.345 52.037 -0.001 0.000 0.620 504 A CB -0.518 18.562 19.000 0.134 0.000 0.819 504 A HN 0.718 nan 8.150 nan 0.000 0.442 505 E N -0.031 120.139 120.200 -0.050 0.000 2.187 505 E HA -0.173 4.175 4.350 -0.004 0.000 0.199 505 E C 1.257 177.775 176.600 -0.136 0.000 1.004 505 E CA 1.974 58.333 56.400 -0.069 0.000 0.813 505 E CB -0.351 29.308 29.700 -0.069 0.000 0.736 505 E HN 0.513 nan 8.360 nan 0.000 0.468 506 T N -0.863 113.557 114.554 -0.223 0.000 3.145 506 T HA 0.169 4.517 4.350 -0.004 0.000 0.255 506 T C -0.028 174.266 174.700 -0.675 0.000 1.039 506 T CA -0.114 61.737 62.100 -0.414 0.000 0.928 506 T CB -0.058 68.529 68.868 -0.469 0.000 1.029 506 T HN 0.073 nan 8.240 nan 0.000 0.554 507 F N 2.014 121.777 119.950 -0.312 0.000 2.683 507 F HA 0.212 4.737 4.527 -0.004 0.000 0.306 507 F C 1.039 176.643 175.800 -0.327 0.000 1.102 507 F CA -0.701 57.086 58.000 -0.356 0.000 1.244 507 F CB 0.454 39.353 39.000 -0.168 0.000 1.029 507 F HN -0.004 nan 8.300 nan 0.000 0.545 508 T N -1.651 112.831 114.554 -0.120 0.000 2.753 508 T HA 0.492 4.839 4.350 -0.004 0.000 0.297 508 T C -0.428 174.281 174.700 0.015 0.000 0.981 508 T CA -0.410 61.730 62.100 0.067 0.000 0.956 508 T CB 0.131 69.079 68.868 0.134 0.000 0.936 508 T HN -0.083 nan 8.240 nan 0.000 0.463 509 F N 2.485 122.692 119.950 0.428 0.000 2.384 509 F HA 0.364 4.888 4.527 -0.004 0.000 0.338 509 F C 1.446 177.358 175.800 0.186 0.000 1.103 509 F CA -0.667 57.556 58.000 0.372 0.000 1.157 509 F CB 0.795 40.214 39.000 0.698 0.000 1.167 509 F HN 0.650 nan 8.300 nan 0.000 0.529 510 H N 0.787 119.806 119.070 -0.085 0.000 2.645 510 H HA 0.489 5.043 4.556 -0.004 0.000 0.308 510 H C 0.452 175.256 175.328 -0.873 0.000 1.495 510 H CA -0.109 55.746 56.048 -0.321 0.000 1.518 510 H CB 1.677 31.349 29.762 -0.149 0.000 1.752 510 H HN 0.685 nan 8.280 nan 0.000 0.797 511 A N 0.222 122.501 122.820 -0.902 0.000 2.218 511 A HA -0.064 4.253 4.320 -0.004 0.000 0.209 511 A C 1.071 178.453 177.584 -0.337 0.000 1.168 511 A CA 0.789 52.407 52.037 -0.697 0.000 0.804 511 A CB -0.394 18.340 19.000 -0.444 0.000 0.834 511 A HN 0.744 nan 8.150 nan 0.000 0.482 512 D N -0.505 119.777 120.400 -0.196 0.000 2.349 512 D HA -0.008 4.630 4.640 -0.004 0.000 0.224 512 D C 1.287 177.558 176.300 -0.049 0.000 1.029 512 D CA 0.050 54.013 54.000 -0.062 0.000 0.879 512 D CB -0.377 40.439 40.800 0.026 0.000 0.906 512 D HN 0.462 nan 8.370 nan 0.000 0.528 513 I N -0.006 120.505 120.570 -0.098 0.000 2.546 513 I HA -0.183 3.984 4.170 -0.004 0.000 0.255 513 I C 0.858 176.977 176.117 0.003 0.000 1.163 513 I CA 0.618 61.907 61.300 -0.019 0.000 1.457 513 I CB 0.138 38.147 38.000 0.016 0.000 1.092 513 I HN 0.088 nan 8.210 nan 0.000 0.434 514 c N 0.667 119.258 118.600 -0.015 0.000 2.491 514 c HA -0.028 4.540 4.570 -0.004 0.000 0.277 514 c C 2.584 176.678 174.090 0.007 0.000 1.455 514 c CA 1.138 57.477 56.329 0.018 0.000 1.758 514 c CB -1.898 40.630 42.510 0.030 0.000 1.745 514 c HN 0.675 nan 8.230 nan 0.000 0.558 515 T N -2.119 112.435 114.554 0.000 0.000 3.037 515 T HA 0.258 4.605 4.350 -0.004 0.000 0.252 515 T C 0.545 175.252 174.700 0.012 0.000 1.073 515 T CA 0.154 62.257 62.100 0.005 0.000 1.091 515 T CB -0.096 68.774 68.868 0.003 0.000 0.935 515 T HN 0.358 nan 8.240 nan 0.000 0.488 516 L N 2.919 124.151 121.223 0.016 0.000 2.466 516 L HA 0.463 4.800 4.340 -0.004 0.000 0.257 516 L C 1.080 177.962 176.870 0.021 0.000 1.189 516 L CA -0.988 53.865 54.840 0.022 0.000 0.813 516 L CB 0.357 42.435 42.059 0.032 0.000 1.118 516 L HN 0.281 nan 8.230 nan 0.000 0.471 517 S N -0.572 115.142 115.700 0.022 0.000 2.608 517 S HA -0.001 4.466 4.470 -0.004 0.000 0.261 517 S C 0.746 175.355 174.600 0.014 0.000 1.314 517 S CA -0.349 57.862 58.200 0.018 0.000 0.992 517 S CB 1.177 64.390 63.200 0.022 0.000 0.935 517 S HN 0.688 nan 8.310 nan 0.000 0.564 518 E N 0.786 120.987 120.200 0.002 0.000 2.204 518 E HA -0.131 4.216 4.350 -0.004 0.000 0.194 518 E C 1.828 178.422 176.600 -0.009 0.000 0.989 518 E CA 1.546 57.937 56.400 -0.015 0.000 0.824 518 E CB -0.251 29.429 29.700 -0.034 0.000 0.756 518 E HN 0.747 nan 8.360 nan 0.000 0.477 519 K N 0.531 120.939 120.400 0.013 0.000 2.001 519 K HA -0.175 4.143 4.320 -0.004 0.000 0.208 519 K C 1.731 178.363 176.600 0.054 0.000 1.048 519 K CA 1.701 58.010 56.287 0.036 0.000 0.932 519 K CB -0.121 32.406 32.500 0.045 0.000 0.715 519 K HN 0.173 nan 8.250 nan 0.000 0.437 520 E N -0.071 120.158 120.200 0.049 0.000 2.338 520 E HA -0.142 4.205 4.350 -0.004 0.000 0.197 520 E C 2.082 178.725 176.600 0.072 0.000 1.007 520 E CA 0.545 56.980 56.400 0.058 0.000 0.849 520 E CB 0.047 29.776 29.700 0.048 0.000 0.774 520 E HN 0.246 nan 8.360 nan 0.000 0.506 521 R N 0.620 121.155 120.500 0.059 0.000 2.173 521 R HA -0.018 4.319 4.340 -0.004 0.000 0.208 521 R C 2.060 178.412 176.300 0.087 0.000 1.035 521 R CA 0.645 56.786 56.100 0.067 0.000 1.004 521 R CB 0.236 30.555 30.300 0.032 0.000 0.917 521 R HN 0.161 nan 8.270 nan 0.000 0.462 522 Q N 0.177 120.022 119.800 0.076 0.000 2.079 522 Q HA -0.119 4.219 4.340 -0.004 0.000 0.200 522 Q C 2.019 178.164 176.000 0.243 0.000 0.974 522 Q CA 1.389 57.285 55.803 0.154 0.000 0.840 522 Q CB -0.002 28.818 28.738 0.137 0.000 0.898 522 Q HN 0.337 nan 8.270 nan 0.000 0.430 523 I N 0.878 121.549 120.570 0.169 0.000 2.248 523 I HA -0.323 3.845 4.170 -0.004 0.000 0.248 523 I C 2.126 178.326 176.117 0.139 0.000 1.107 523 I CA 1.250 62.634 61.300 0.139 0.000 1.373 523 I CB -0.139 37.917 38.000 0.094 0.000 1.055 523 I HN 0.161 nan 8.210 nan 0.000 0.418 524 K N 0.573 121.074 120.400 0.169 0.000 2.167 524 K HA -0.101 4.217 4.320 -0.004 0.000 0.203 524 K C 2.053 178.843 176.600 0.317 0.000 1.052 524 K CA 0.906 57.330 56.287 0.227 0.000 0.956 524 K CB -0.043 32.644 32.500 0.311 0.000 0.735 524 K HN 0.303 nan 8.250 nan 0.000 0.451 525 K N 1.071 121.645 120.400 0.289 0.000 2.148 525 K HA -0.120 4.197 4.320 -0.004 0.000 0.204 525 K C 2.156 178.907 176.600 0.252 0.000 1.050 525 K CA 1.131 57.595 56.287 0.295 0.000 0.942 525 K CB 0.058 32.721 32.500 0.272 0.000 0.724 525 K HN 0.156 nan 8.250 nan 0.000 0.446 526 Q N -0.269 119.655 119.800 0.207 0.000 2.245 526 Q HA -0.047 4.291 4.340 -0.004 0.000 0.201 526 Q C 1.773 177.819 176.000 0.077 0.000 0.955 526 Q CA 1.161 57.037 55.803 0.121 0.000 0.870 526 Q CB 0.248 29.045 28.738 0.098 0.000 0.945 526 Q HN 0.242 nan 8.270 nan 0.000 0.461 527 T N 0.467 115.064 114.554 0.071 0.000 2.867 527 T HA -0.089 4.258 4.350 -0.004 0.000 0.268 527 T C 1.752 176.434 174.700 -0.031 0.000 1.057 527 T CA 1.140 63.242 62.100 0.003 0.000 1.136 527 T CB -0.066 68.789 68.868 -0.020 0.000 0.874 527 T HN 0.338 nan 8.240 nan 0.000 0.466 528 A N 0.899 123.728 122.820 0.015 0.000 2.016 528 A HA 0.147 4.464 4.320 -0.004 0.000 0.217 528 A C 2.126 179.801 177.584 0.153 0.000 1.162 528 A CA 0.647 52.689 52.037 0.008 0.000 0.662 528 A CB -0.520 18.506 19.000 0.043 0.000 0.812 528 A HN 0.389 nan 8.150 nan 0.000 0.450 529 L N 0.241 121.555 121.223 0.151 0.000 2.017 529 L HA -0.097 4.241 4.340 -0.004 0.000 0.208 529 L C 2.351 179.283 176.870 0.104 0.000 1.073 529 L CA 1.960 56.895 54.840 0.157 0.000 0.745 529 L CB -0.737 41.390 42.059 0.113 0.000 0.894 529 L HN 0.164 nan 8.230 nan 0.000 0.432 530 V N -0.079 119.864 119.914 0.047 0.000 2.255 530 V HA -0.268 3.849 4.120 -0.004 0.000 0.247 530 V C 2.659 178.746 176.094 -0.010 0.000 1.051 530 V CA 1.937 64.240 62.300 0.006 0.000 1.018 530 V CB -0.863 30.945 31.823 -0.026 0.000 0.641 530 V HN 0.444 nan 8.190 nan 0.000 0.445 531 E N 0.078 120.265 120.200 -0.022 0.000 2.118 531 E HA -0.183 4.164 4.350 -0.004 0.000 0.195 531 E C 2.229 178.847 176.600 0.030 0.000 0.992 531 E CA 1.173 57.529 56.400 -0.074 0.000 0.804 531 E CB -0.360 29.266 29.700 -0.124 0.000 0.741 531 E HN 0.543 nan 8.360 nan 0.000 0.458 532 L N 0.299 121.696 121.223 0.289 0.000 1.989 532 L HA -0.200 4.137 4.340 -0.004 0.000 0.211 532 L C 2.603 179.591 176.870 0.197 0.000 1.071 532 L CA 1.014 56.072 54.840 0.364 0.000 0.749 532 L CB -0.709 41.552 42.059 0.338 0.000 0.890 532 L HN 0.002 nan 8.230 nan 0.000 0.431 533 V N -0.002 119.985 119.914 0.121 0.000 2.282 533 V HA -0.349 3.769 4.120 -0.004 0.000 0.249 533 V C 2.343 178.486 176.094 0.081 0.000 1.057 533 V CA 1.950 64.304 62.300 0.090 0.000 1.032 533 V CB -0.649 31.207 31.823 0.055 0.000 0.645 533 V HN 0.432 nan 8.190 nan 0.000 0.447 534 K N -1.150 119.242 120.400 -0.013 0.000 2.442 534 K HA -0.141 4.176 4.320 -0.004 0.000 0.198 534 K C 1.898 178.544 176.600 0.077 0.000 1.044 534 K CA 0.953 57.257 56.287 0.028 0.000 0.948 534 K CB -0.146 32.292 32.500 -0.103 0.000 0.762 534 K HN 0.618 nan 8.250 nan 0.000 0.472 535 H N -0.534 118.677 119.070 0.235 0.000 2.604 535 H HA 0.119 4.673 4.556 -0.004 0.000 0.273 535 H C 0.423 175.839 175.328 0.147 0.000 0.971 535 H CA 0.652 56.820 56.048 0.201 0.000 1.249 535 H CB 0.586 30.497 29.762 0.248 0.000 1.449 535 H HN -0.042 nan 8.280 nan 0.000 0.512 536 K N 1.129 121.672 120.400 0.239 0.000 2.895 536 K HA 0.207 4.524 4.320 -0.004 0.000 0.191 536 K C -2.609 174.071 176.600 0.133 0.000 1.117 536 K CA -1.493 54.890 56.287 0.160 0.000 0.988 536 K CB 1.444 34.027 32.500 0.139 0.000 1.181 536 K HN -0.104 nan 8.250 nan 0.000 0.598 537 P HA 0.019 nan 4.420 nan 0.000 0.222 537 P C 0.600 177.953 177.300 0.089 0.000 1.157 537 P CA 0.454 63.629 63.100 0.124 0.000 0.816 537 P CB 0.379 32.192 31.700 0.187 0.000 0.813 538 K N 0.333 120.781 120.400 0.080 0.000 1.977 538 K HA -0.041 4.277 4.320 -0.004 0.000 0.218 538 K C 0.978 177.606 176.600 0.046 0.000 1.051 538 K CA 1.536 57.857 56.287 0.056 0.000 0.953 538 K CB -0.682 31.845 32.500 0.045 0.000 0.727 538 K HN 0.032 nan 8.250 nan 0.000 0.445 539 A N 1.933 124.781 122.820 0.045 0.000 2.412 539 A HA 0.264 4.581 4.320 -0.004 0.000 0.334 539 A C -0.742 176.868 177.584 0.044 0.000 1.419 539 A CA -0.563 51.497 52.037 0.038 0.000 0.930 539 A CB 0.206 19.224 19.000 0.029 0.000 1.149 539 A HN 0.304 nan 8.150 nan 0.000 0.515 540 T N 0.484 115.064 114.554 0.043 0.000 3.068 540 T HA 0.434 4.781 4.350 -0.004 0.000 0.364 540 T C -0.011 174.713 174.700 0.040 0.000 1.161 540 T CA -0.839 61.290 62.100 0.048 0.000 1.155 540 T CB 0.979 69.881 68.868 0.057 0.000 1.060 540 T HN 0.449 nan 8.240 nan 0.000 0.513 541 K N 1.956 122.378 120.400 0.037 0.000 2.552 541 K HA 0.288 4.605 4.320 -0.004 0.000 0.288 541 K C 1.853 178.474 176.600 0.036 0.000 0.976 541 K CA -0.316 55.990 56.287 0.032 0.000 1.407 541 K CB 0.347 32.863 32.500 0.027 0.000 1.832 541 K HN 0.718 nan 8.250 nan 0.000 0.806 542 E N 1.017 121.237 120.200 0.033 0.000 2.150 542 E HA -0.249 4.098 4.350 -0.004 0.000 0.193 542 E C 1.775 178.398 176.600 0.038 0.000 0.985 542 E CA 1.398 57.820 56.400 0.036 0.000 0.814 542 E CB -0.374 29.344 29.700 0.031 0.000 0.752 542 E HN 0.497 nan 8.360 nan 0.000 0.466 543 Q N 1.225 121.045 119.800 0.033 0.000 2.197 543 Q HA -0.248 4.089 4.340 -0.004 0.000 0.211 543 Q C 2.322 178.349 176.000 0.045 0.000 0.993 543 Q CA 1.949 57.771 55.803 0.032 0.000 0.883 543 Q CB -0.659 28.095 28.738 0.026 0.000 0.916 543 Q HN 0.399 nan 8.270 nan 0.000 0.418 544 L N 0.583 121.840 121.223 0.056 0.000 2.012 544 L HA -0.190 4.147 4.340 -0.004 0.000 0.210 544 L C 2.764 179.685 176.870 0.086 0.000 1.073 544 L CA 1.964 56.851 54.840 0.078 0.000 0.748 544 L CB -0.421 41.684 42.059 0.078 0.000 0.891 544 L HN 0.363 nan 8.230 nan 0.000 0.431 545 K N -0.394 120.049 120.400 0.071 0.000 2.218 545 K HA -0.215 4.102 4.320 -0.004 0.000 0.205 545 K C 1.919 178.565 176.600 0.077 0.000 1.046 545 K CA 1.336 57.667 56.287 0.074 0.000 0.933 545 K CB 0.028 32.564 32.500 0.061 0.000 0.728 545 K HN 0.363 nan 8.250 nan 0.000 0.454 546 A N 0.104 122.960 122.820 0.060 0.000 1.855 546 A HA -0.053 4.264 4.320 -0.004 0.000 0.213 546 A C 2.103 179.710 177.584 0.038 0.000 1.195 546 A CA 1.162 53.225 52.037 0.043 0.000 0.610 546 A CB -0.445 18.570 19.000 0.024 0.000 0.837 546 A HN 0.120 nan 8.150 nan 0.000 0.444 547 V N -0.193 119.748 119.914 0.044 0.000 2.688 547 V HA -0.287 3.831 4.120 -0.004 0.000 0.256 547 V C 2.519 178.667 176.094 0.088 0.000 1.084 547 V CA 2.278 64.592 62.300 0.024 0.000 1.103 547 V CB -0.837 31.025 31.823 0.065 0.000 0.688 547 V HN 0.661 nan 8.190 nan 0.000 0.480 548 M N 0.416 120.123 119.600 0.177 0.000 2.123 548 M HA -0.096 4.382 4.480 -0.004 0.000 0.263 548 M C 1.726 178.161 176.300 0.225 0.000 1.069 548 M CA 1.740 57.212 55.300 0.287 0.000 1.133 548 M CB -0.567 32.175 32.600 0.236 0.000 1.356 548 M HN 0.213 nan 8.290 nan 0.000 0.415 549 D N 0.219 120.700 120.400 0.135 0.000 2.221 549 D HA -0.196 4.442 4.640 -0.004 0.000 0.204 549 D C 1.495 177.830 176.300 0.057 0.000 0.982 549 D CA 1.550 55.610 54.000 0.101 0.000 0.857 549 D CB -0.409 40.432 40.800 0.069 0.000 0.934 549 D HN 0.568 nan 8.370 nan 0.000 0.475 550 D N -0.503 119.887 120.400 -0.016 0.000 2.117 550 D HA -0.158 4.479 4.640 -0.004 0.000 0.198 550 D C 1.720 177.974 176.300 -0.075 0.000 0.982 550 D CA 0.747 54.675 54.000 -0.120 0.000 0.828 550 D CB -0.200 40.425 40.800 -0.292 0.000 0.967 550 D HN 0.047 nan 8.370 nan 0.000 0.464 551 F N 0.676 120.713 119.950 0.145 0.000 2.365 551 F HA 0.157 4.682 4.527 -0.004 0.000 0.300 551 F C 2.409 178.255 175.800 0.077 0.000 1.090 551 F CA 0.737 58.843 58.000 0.176 0.000 1.408 551 F CB -0.757 38.367 39.000 0.208 0.000 1.060 551 F HN 0.028 nan 8.300 nan 0.000 0.534 552 A N 0.031 122.981 122.820 0.216 0.000 1.873 552 A HA -0.022 4.295 4.320 -0.004 0.000 0.215 552 A C 2.471 180.080 177.584 0.042 0.000 1.186 552 A CA 1.733 53.836 52.037 0.109 0.000 0.616 552 A CB -1.242 17.823 19.000 0.108 0.000 0.823 552 A HN 0.273 nan 8.150 nan 0.000 0.442 553 A N -0.940 121.910 122.820 0.050 0.000 1.873 553 A HA -0.000 4.317 4.320 -0.004 0.000 0.215 553 A C 2.030 179.609 177.584 -0.008 0.000 1.186 553 A CA 1.626 53.669 52.037 0.011 0.000 0.616 553 A CB -0.842 18.167 19.000 0.015 0.000 0.823 553 A HN 0.768 nan 8.150 nan 0.000 0.442 554 F N 1.284 121.179 119.950 -0.092 0.000 2.087 554 F HA -0.249 4.276 4.527 -0.004 0.000 0.299 554 F C 2.128 177.779 175.800 -0.249 0.000 1.100 554 F CA 2.239 60.157 58.000 -0.135 0.000 1.226 554 F CB -0.740 38.243 39.000 -0.028 0.000 0.983 554 F HN 0.039 nan 8.300 nan 0.000 0.479 555 V N 0.831 120.441 119.914 -0.506 0.000 2.244 555 V HA -0.240 3.878 4.120 -0.004 0.000 0.244 555 V C 2.502 178.398 176.094 -0.330 0.000 1.042 555 V CA 2.145 64.117 62.300 -0.547 0.000 1.006 555 V CB -0.850 30.828 31.823 -0.242 0.000 0.641 555 V HN 0.268 nan 8.190 nan 0.000 0.446 556 E N 0.455 120.547 120.200 -0.181 0.000 2.114 556 E HA -0.292 4.056 4.350 -0.004 0.000 0.199 556 E C 2.108 178.626 176.600 -0.136 0.000 1.008 556 E CA 1.770 58.101 56.400 -0.115 0.000 0.810 556 E CB -0.316 29.341 29.700 -0.071 0.000 0.739 556 E HN 0.613 nan 8.360 nan 0.000 0.456 557 K N 0.562 120.856 120.400 -0.176 0.000 1.963 557 K HA -0.103 4.215 4.320 -0.004 0.000 0.216 557 K C 2.269 178.741 176.600 -0.212 0.000 1.045 557 K CA 1.637 57.828 56.287 -0.160 0.000 0.954 557 K CB -0.356 32.066 32.500 -0.129 0.000 0.732 557 K HN 0.115 nan 8.250 nan 0.000 0.442 558 c N 0.942 119.299 118.600 -0.405 0.000 2.409 558 c HA -0.105 4.462 4.570 -0.004 0.000 0.288 558 c C 2.726 176.711 174.090 -0.175 0.000 1.395 558 c CA 0.344 56.418 56.329 -0.425 0.000 1.792 558 c CB -1.370 40.587 42.510 -0.922 0.000 1.847 558 c HN 0.632 nan 8.230 nan 0.000 0.534 559 c N 0.272 118.800 118.600 -0.119 0.000 2.500 559 c HA 0.004 4.571 4.570 -0.004 0.000 0.273 559 c C 1.661 175.759 174.090 0.013 0.000 1.428 559 c CA 0.897 57.256 56.329 0.049 0.000 1.766 559 c CB -1.173 41.362 42.510 0.043 0.000 1.817 559 c HN 0.616 nan 8.230 nan 0.000 0.543 560 K N -0.472 119.913 120.400 -0.025 0.000 2.826 560 K HA 0.299 4.616 4.320 -0.004 0.000 0.206 560 K C 0.613 177.202 176.600 -0.018 0.000 1.116 560 K CA 0.009 56.286 56.287 -0.017 0.000 1.045 560 K CB 0.571 33.056 32.500 -0.025 0.000 0.758 560 K HN 0.177 nan 8.250 nan 0.000 0.465 561 A N 1.075 123.886 122.820 -0.014 0.000 2.308 561 A HA 0.071 4.388 4.320 -0.004 0.000 0.217 561 A C -0.126 177.462 177.584 0.006 0.000 1.216 561 A CA 0.023 52.054 52.037 -0.010 0.000 0.864 561 A CB -0.053 18.937 19.000 -0.017 0.000 0.902 561 A HN 0.379 nan 8.150 nan 0.000 0.499 562 D N 1.217 121.623 120.400 0.011 0.000 2.811 562 D HA -0.160 4.477 4.640 -0.004 0.000 0.231 562 D C 0.049 176.361 176.300 0.020 0.000 1.157 562 D CA 1.463 55.471 54.000 0.014 0.000 0.716 562 D CB -1.417 39.388 40.800 0.009 0.000 1.077 562 D HN 0.825 nan 8.370 nan 0.000 0.428 563 D N -0.322 120.096 120.400 0.029 0.000 2.356 563 D HA 0.070 4.708 4.640 -0.004 0.000 0.258 563 D C 0.703 177.023 176.300 0.034 0.000 1.279 563 D CA -0.178 53.845 54.000 0.038 0.000 1.016 563 D CB 0.774 41.609 40.800 0.060 0.000 1.107 563 D HN -0.127 nan 8.370 nan 0.000 0.544 564 K N -0.518 119.905 120.400 0.039 0.000 3.045 564 K HA 0.146 4.464 4.320 -0.004 0.000 0.211 564 K C -0.400 176.218 176.600 0.029 0.000 1.141 564 K CA -0.335 55.969 56.287 0.029 0.000 1.036 564 K CB 0.416 32.935 32.500 0.030 0.000 0.851 564 K HN 0.550 nan 8.250 nan 0.000 0.462 565 E N -1.192 119.028 120.200 0.033 0.000 3.801 565 E HA -0.228 4.119 4.350 -0.004 0.000 0.319 565 E C 0.464 177.123 176.600 0.098 0.000 0.784 565 E CA 1.310 57.722 56.400 0.021 0.000 1.183 565 E CB -1.531 28.125 29.700 -0.075 0.000 1.601 565 E HN 0.343 nan 8.360 nan 0.000 0.441 566 T N 0.054 114.668 114.554 0.100 0.000 2.558 566 T HA -0.258 4.089 4.350 -0.004 0.000 0.247 566 T C 2.225 177.018 174.700 0.156 0.000 1.146 566 T CA 1.550 63.718 62.100 0.112 0.000 1.289 566 T CB -0.935 67.980 68.868 0.079 0.000 0.905 566 T HN 0.621 nan 8.240 nan 0.000 0.397 567 c N 1.409 120.085 118.600 0.127 0.000 2.385 567 c HA -0.195 4.372 4.570 -0.004 0.000 0.275 567 c C 2.327 176.536 174.090 0.199 0.000 1.199 567 c CA 0.663 57.067 56.329 0.125 0.000 1.782 567 c CB -2.091 40.453 42.510 0.057 0.000 2.068 567 c HN 0.405 nan 8.230 nan 0.000 0.471 568 F N 2.547 122.570 119.950 0.122 0.000 2.046 568 F HA 0.016 4.541 4.527 -0.004 0.000 0.297 568 F C 2.693 178.717 175.800 0.374 0.000 1.123 568 F CA 2.185 60.292 58.000 0.178 0.000 1.199 568 F CB -1.046 37.976 39.000 0.037 0.000 0.972 568 F HN 0.327 nan 8.300 nan 0.000 0.474 569 A N -0.206 122.926 122.820 0.521 0.000 1.858 569 A HA -0.157 4.161 4.320 -0.004 0.000 0.216 569 A C 2.098 179.870 177.584 0.314 0.000 1.190 569 A CA 1.739 54.019 52.037 0.404 0.000 0.617 569 A CB -0.743 18.418 19.000 0.269 0.000 0.827 569 A HN 0.439 nan 8.150 nan 0.000 0.443 570 E N -0.048 120.298 120.200 0.243 0.000 2.208 570 E HA -0.127 4.220 4.350 -0.004 0.000 0.193 570 E C 1.707 178.405 176.600 0.163 0.000 0.988 570 E CA 0.791 57.295 56.400 0.174 0.000 0.828 570 E CB -0.224 29.553 29.700 0.128 0.000 0.763 570 E HN 0.587 nan 8.360 nan 0.000 0.478 571 E N 0.313 120.649 120.200 0.227 0.000 2.158 571 E HA -0.039 4.309 4.350 -0.004 0.000 0.191 571 E C 2.134 178.770 176.600 0.060 0.000 0.982 571 E CA 0.772 57.285 56.400 0.190 0.000 0.823 571 E CB -0.332 29.568 29.700 0.334 0.000 0.766 571 E HN 0.323 nan 8.360 nan 0.000 0.468 572 G N 1.644 110.514 108.800 0.116 0.000 2.418 572 G HA2 -0.314 3.643 3.960 -0.004 0.000 0.217 572 G HA3 -0.314 3.643 3.960 -0.004 0.000 0.217 572 G C 1.749 176.681 174.900 0.053 0.000 1.158 572 G CA 1.152 46.222 45.100 -0.051 0.000 0.771 572 G HN 0.185 nan 8.290 nan 0.000 0.545 573 K N 0.748 121.216 120.400 0.113 0.000 2.044 573 K HA -0.086 4.231 4.320 -0.004 0.000 0.210 573 K C 2.434 179.062 176.600 0.046 0.000 1.049 573 K CA 1.267 57.611 56.287 0.096 0.000 0.927 573 K CB -0.101 32.459 32.500 0.099 0.000 0.713 573 K HN 0.089 nan 8.250 nan 0.000 0.443 574 K N 0.118 120.533 120.400 0.025 0.000 2.217 574 K HA 0.023 4.340 4.320 -0.004 0.000 0.202 574 K C 1.972 178.543 176.600 -0.049 0.000 1.051 574 K CA 0.905 57.187 56.287 -0.008 0.000 0.952 574 K CB -0.049 32.451 32.500 -0.000 0.000 0.736 574 K HN 0.259 nan 8.250 nan 0.000 0.453 575 L N 1.087 122.262 121.223 -0.079 0.000 2.418 575 L HA -0.037 4.300 4.340 -0.004 0.000 0.218 575 L C 2.144 178.965 176.870 -0.082 0.000 1.125 575 L CA 0.356 55.109 54.840 -0.146 0.000 0.835 575 L CB -0.449 41.428 42.059 -0.304 0.000 0.953 575 L HN -0.101 nan 8.230 nan 0.000 0.454 576 V N -3.411 116.511 119.914 0.014 0.000 2.951 576 V HA 0.079 4.196 4.120 -0.004 0.000 0.255 576 V C 2.446 178.457 176.094 -0.139 0.000 1.088 576 V CA 1.180 63.522 62.300 0.071 0.000 1.109 576 V CB -0.628 31.351 31.823 0.260 0.000 0.724 576 V HN 0.239 nan 8.190 nan 0.000 0.471 577 A N 0.739 123.488 122.820 -0.118 0.000 1.930 577 A HA 0.321 4.638 4.320 -0.004 0.000 0.215 577 A C 2.409 179.889 177.584 -0.173 0.000 1.176 577 A CA 1.609 53.546 52.037 -0.166 0.000 0.632 577 A CB -0.739 18.203 19.000 -0.097 0.000 0.819 577 A HN 0.808 nan 8.150 nan 0.000 0.445 578 A N 0.416 123.152 122.820 -0.141 0.000 1.929 578 A HA -0.039 4.279 4.320 -0.004 0.000 0.216 578 A C 2.446 179.943 177.584 -0.145 0.000 1.176 578 A CA 2.078 54.035 52.037 -0.134 0.000 0.628 578 A CB -0.763 18.158 19.000 -0.131 0.000 0.816 578 A HN 0.803 nan 8.150 nan 0.000 0.444 579 S N -0.983 114.623 115.700 -0.158 0.000 2.414 579 S HA -0.147 4.321 4.470 -0.004 0.000 0.227 579 S C 1.960 176.461 174.600 -0.165 0.000 1.022 579 S CA 0.995 59.121 58.200 -0.122 0.000 0.958 579 S CB -0.341 62.838 63.200 -0.035 0.000 0.797 579 S HN 0.515 nan 8.310 nan 0.000 0.493 580 Q N 1.977 121.591 119.800 -0.310 0.000 2.096 580 Q HA -0.040 4.297 4.340 -0.004 0.000 0.204 580 Q C 2.272 178.134 176.000 -0.230 0.000 0.982 580 Q CA 1.888 57.441 55.803 -0.417 0.000 0.850 580 Q CB -0.744 27.609 28.738 -0.642 0.000 0.901 580 Q HN 0.659 nan 8.270 nan 0.000 0.422 581 A N 0.785 123.498 122.820 -0.179 0.000 1.972 581 A HA 0.108 4.426 4.320 -0.004 0.000 0.219 581 A C 1.455 178.991 177.584 -0.079 0.000 1.169 581 A CA 1.109 53.076 52.037 -0.117 0.000 0.635 581 A CB -0.762 18.178 19.000 -0.100 0.000 0.810 581 A HN 0.474 nan 8.150 nan 0.000 0.446 582 A N 0.000 122.777 122.820 -0.072 0.000 2.254 582 A HA 0.000 4.317 4.320 -0.004 0.000 0.244 582 A CA 0.000 52.015 52.037 -0.036 0.000 0.836 582 A CB 0.000 18.986 19.000 -0.024 0.000 0.831 582 A HN 0.000 nan 8.150 nan 0.000 0.486