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 3lu6_1_A DATA FIRST_RESID 5 DATA SEQUENCE SEVAHRFKDL GEENFKALVL IAFAQYLQQC PFEDHVKLVN EVTEFAKTcV DATA SEQUENCE ADESAENcDK SLHTLFGDKL cTVATLRETY GEMADccAKQ EPERNEcFLQ DATA SEQUENCE HKDDNPNLPR LVRPEVDVMc TAFHDNEETF LKKYLYEIAR RHPYFYAPEL DATA SEQUENCE LFFAKRYKAA FTEccQAADK AAcLLPKLDE LRDEGKASSA KQRLKcASLQ DATA SEQUENCE KFGERAFKAW AVARLSQRFP KAEFAEVSKL VTDLTKVHTE ccHGDLLEcA DATA SEQUENCE DDRADLAKYI cENQDSISSK LKEccEKPLL EKSHcIAEVE NDEMPADLPS DATA SEQUENCE LAADFVESKD VcKNYAEAKD VFLGMFLYEY ARRHPDYSVV LLLRLAKTYE DATA SEQUENCE TTLEKccAAA DPHEcYAKVF DEFKPLVEEP QNLIKQNcEL FEQLGEYKFQ DATA SEQUENCE NALLVRYTKK VPQVSTPTLV EVSRNLGKVG SKccKHPEAK RMPcAEDYLS DATA SEQUENCE VVLNQLcVLH EKTPVSDRVT KccTESLVNR RPcFSALEVD ETYVPKEFNA DATA SEQUENCE ETFTFHADIc TLSEKERQIK KQTALVELVK HKPKATKEQL KAVMDDFAAF DATA SEQUENCE VEKccKADDK ETcFAEEGKK LVAASQAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.649 174.600 0.081 0.000 1.055 5 S CA 0.000 58.224 58.200 0.040 0.000 1.107 5 S CB 0.000 63.210 63.200 0.017 0.000 0.593 6 E N 3.540 123.793 120.200 0.089 0.000 2.106 6 E HA -0.073 4.298 4.350 0.035 0.000 0.192 6 E C 1.751 178.443 176.600 0.153 0.000 0.984 6 E CA 1.693 58.176 56.400 0.138 0.000 0.806 6 E CB -0.037 29.710 29.700 0.078 0.000 0.750 6 E HN 0.549 nan 8.360 nan 0.000 0.458 7 V N 0.553 120.548 119.914 0.135 0.000 2.332 7 V HA -0.279 3.862 4.120 0.035 0.000 0.248 7 V C 2.172 178.394 176.094 0.214 0.000 1.055 7 V CA 2.314 64.746 62.300 0.220 0.000 1.038 7 V CB -0.479 31.498 31.823 0.256 0.000 0.651 7 V HN 0.490 nan 8.190 nan 0.000 0.450 8 A N -1.046 121.828 122.820 0.091 0.000 1.929 8 A HA -0.230 4.111 4.320 0.035 0.000 0.216 8 A C 2.069 179.749 177.584 0.159 0.000 1.176 8 A CA 1.777 53.844 52.037 0.051 0.000 0.628 8 A CB -0.939 18.039 19.000 -0.036 0.000 0.816 8 A HN 0.863 nan 8.150 nan 0.000 0.444 9 H N -0.209 118.907 119.070 0.076 0.000 2.421 9 H HA -0.040 4.535 4.556 0.033 0.000 0.298 9 H C 2.033 177.429 175.328 0.112 0.000 1.087 9 H CA 1.800 57.892 56.048 0.074 0.000 1.330 9 H CB 0.050 29.839 29.762 0.045 0.000 1.388 9 H HN 0.237 nan 8.280 nan 0.000 0.526 10 R N -0.437 120.056 120.500 -0.011 0.000 2.057 10 R HA -0.046 4.315 4.340 0.035 0.000 0.224 10 R C 2.291 178.698 176.300 0.179 0.000 1.136 10 R CA 1.039 57.134 56.100 -0.008 0.000 0.968 10 R CB -1.583 28.784 30.300 0.112 0.000 0.863 10 R HN 0.360 nan 8.270 nan 0.000 0.433 11 F N 2.305 122.357 119.950 0.171 0.000 2.087 11 F HA -0.300 4.247 4.527 0.033 0.000 0.299 11 F C 1.947 177.715 175.800 -0.053 0.000 1.100 11 F CA 1.935 59.908 58.000 -0.046 0.000 1.226 11 F CB 0.029 38.789 39.000 -0.400 0.000 0.983 11 F HN -0.028 nan 8.300 nan 0.000 0.479 12 K N -0.617 119.899 120.400 0.193 0.000 2.217 12 K HA -0.125 4.216 4.320 0.035 0.000 0.202 12 K C 1.611 178.220 176.600 0.016 0.000 1.051 12 K CA 1.273 57.630 56.287 0.117 0.000 0.952 12 K CB -0.155 32.421 32.500 0.127 0.000 0.736 12 K HN 0.226 nan 8.250 nan 0.000 0.453 13 D N 0.446 120.834 120.400 -0.019 0.000 2.137 13 D HA -0.020 4.641 4.640 0.035 0.000 0.202 13 D C 1.641 177.908 176.300 -0.054 0.000 0.970 13 D CA 0.962 54.932 54.000 -0.051 0.000 0.837 13 D CB 0.235 40.945 40.800 -0.150 0.000 0.981 13 D HN 0.056 nan 8.370 nan 0.000 0.475 14 L N -0.911 120.273 121.223 -0.065 0.000 2.357 14 L HA 0.327 4.688 4.340 0.035 0.000 0.211 14 L C 1.236 178.036 176.870 -0.116 0.000 1.075 14 L CA 0.357 55.157 54.840 -0.068 0.000 0.830 14 L CB -0.120 41.914 42.059 -0.042 0.000 0.996 14 L HN 0.082 nan 8.230 nan 0.000 0.467 15 G N 0.373 109.038 108.800 -0.226 0.000 2.712 15 G HA2 -0.249 3.732 3.960 0.035 0.000 0.683 15 G HA3 -0.249 3.732 3.960 0.035 0.000 0.683 15 G C 0.197 174.766 174.900 -0.552 0.000 1.320 15 G CA 0.072 44.954 45.100 -0.362 0.000 0.847 15 G HN 0.194 nan 8.290 nan 0.000 0.553 16 E N -0.500 119.333 120.200 -0.610 0.000 2.072 16 E HA -0.055 4.316 4.350 0.035 0.000 0.190 16 E C 2.088 178.583 176.600 -0.176 0.000 0.982 16 E CA 1.405 57.467 56.400 -0.563 0.000 0.803 16 E CB -0.092 29.447 29.700 -0.268 0.000 0.755 16 E HN 0.620 nan 8.360 nan 0.000 0.453 17 E N 0.174 120.302 120.200 -0.119 0.000 2.038 17 E HA -0.190 4.181 4.350 0.035 0.000 0.195 17 E C 1.994 178.570 176.600 -0.039 0.000 1.000 17 E CA 1.200 57.569 56.400 -0.052 0.000 0.803 17 E CB -0.039 29.637 29.700 -0.041 0.000 0.750 17 E HN 0.294 nan 8.360 nan 0.000 0.448 18 N N 0.381 119.050 118.700 -0.051 0.000 2.171 18 N HA -0.137 4.624 4.740 0.035 0.000 0.184 18 N C 1.695 177.175 175.510 -0.050 0.000 1.021 18 N CA 0.623 53.644 53.050 -0.049 0.000 0.854 18 N CB -0.596 37.861 38.487 -0.049 0.000 0.994 18 N HN 0.092 nan 8.380 nan 0.000 0.426 19 F N 2.476 122.306 119.950 -0.200 0.000 2.043 19 F HA -0.228 4.322 4.527 0.038 0.000 0.297 19 F C 2.163 177.869 175.800 -0.156 0.000 1.118 19 F CA 1.725 59.617 58.000 -0.179 0.000 1.202 19 F CB -0.165 38.670 39.000 -0.275 0.000 0.965 19 F HN -0.084 nan 8.300 nan 0.000 0.482 20 K N -0.265 120.249 120.400 0.190 0.000 2.103 20 K HA -0.171 4.170 4.320 0.035 0.000 0.207 20 K C 2.208 178.736 176.600 -0.121 0.000 1.048 20 K CA 1.292 57.609 56.287 0.049 0.000 0.930 20 K CB -0.486 32.041 32.500 0.046 0.000 0.716 20 K HN 0.408 nan 8.250 nan 0.000 0.444 21 A N 0.795 123.549 122.820 -0.110 0.000 1.935 21 A HA -0.009 4.332 4.320 0.035 0.000 0.214 21 A C 2.029 179.489 177.584 -0.205 0.000 1.178 21 A CA 0.717 52.674 52.037 -0.132 0.000 0.640 21 A CB -0.326 18.627 19.000 -0.078 0.000 0.825 21 A HN 0.116 nan 8.150 nan 0.000 0.447 22 L N -0.502 120.583 121.223 -0.230 0.000 2.056 22 L HA -0.144 4.217 4.340 0.035 0.000 0.207 22 L C 2.504 179.130 176.870 -0.407 0.000 1.078 22 L CA 0.871 55.545 54.840 -0.275 0.000 0.749 22 L CB -0.602 41.306 42.059 -0.252 0.000 0.901 22 L HN 0.227 nan 8.230 nan 0.000 0.433 23 V N 0.104 119.682 119.914 -0.559 0.000 2.214 23 V HA -0.336 3.805 4.120 0.035 0.000 0.245 23 V C 2.423 177.981 176.094 -0.893 0.000 1.047 23 V CA 1.989 63.761 62.300 -0.880 0.000 0.998 23 V CB -0.578 30.655 31.823 -0.983 0.000 0.633 23 V HN 0.348 nan 8.190 nan 0.000 0.446 24 L N -0.139 120.712 121.223 -0.621 0.000 2.103 24 L HA -0.232 4.129 4.340 0.035 0.000 0.215 24 L C 2.092 178.760 176.870 -0.337 0.000 1.080 24 L CA 1.945 56.526 54.840 -0.433 0.000 0.764 24 L CB -0.626 41.301 42.059 -0.221 0.000 0.890 24 L HN 0.290 nan 8.230 nan 0.000 0.435 25 I N -0.898 119.484 120.570 -0.314 0.000 2.202 25 I HA -0.268 3.923 4.170 0.035 0.000 0.242 25 I C 2.630 178.584 176.117 -0.271 0.000 1.091 25 I CA 1.098 62.248 61.300 -0.250 0.000 1.368 25 I CB -0.732 37.134 38.000 -0.224 0.000 1.058 25 I HN 0.357 nan 8.210 nan 0.000 0.410 26 A N 1.365 123.964 122.820 -0.369 0.000 1.884 26 A HA -0.248 4.093 4.320 0.035 0.000 0.219 26 A C 2.120 179.514 177.584 -0.317 0.000 1.197 26 A CA 1.985 53.785 52.037 -0.395 0.000 0.637 26 A CB -0.973 17.754 19.000 -0.456 0.000 0.827 26 A HN 0.331 nan 8.150 nan 0.000 0.450 27 F N -0.276 119.368 119.950 -0.510 0.000 2.098 27 F HA 0.026 4.571 4.527 0.029 0.000 0.294 27 F C 2.974 178.429 175.800 -0.576 0.000 1.107 27 F CA 0.201 57.849 58.000 -0.588 0.000 1.234 27 F CB -1.543 37.001 39.000 -0.760 0.000 1.002 27 F HN 0.294 nan 8.300 nan 0.000 0.472 28 A N -0.050 122.549 122.820 -0.368 0.000 1.940 28 A HA -0.287 4.054 4.320 0.035 0.000 0.221 28 A C 2.121 179.680 177.584 -0.041 0.000 1.190 28 A CA 2.123 54.065 52.037 -0.159 0.000 0.647 28 A CB -1.077 17.869 19.000 -0.089 0.000 0.821 28 A HN 0.535 nan 8.150 nan 0.000 0.457 29 Q N -2.809 116.966 119.800 -0.042 0.000 2.369 29 Q HA -0.082 4.280 4.340 0.035 0.000 0.206 29 Q C 1.404 177.502 176.000 0.164 0.000 0.963 29 Q CA 0.963 56.786 55.803 0.033 0.000 0.894 29 Q CB -0.037 28.710 28.738 0.015 0.000 0.965 29 Q HN 0.840 nan 8.270 nan 0.000 0.475 30 Y N -0.626 119.595 120.300 -0.132 0.000 2.464 30 Y HA 0.199 4.758 4.550 0.016 0.000 0.288 30 Y C 0.609 176.450 175.900 -0.098 0.000 1.133 30 Y CA 0.209 58.188 58.100 -0.202 0.000 1.223 30 Y CB 0.856 39.038 38.460 -0.462 0.000 1.187 30 Y HN -0.109 nan 8.280 nan 0.000 0.539 31 L N 0.971 122.279 121.223 0.141 0.000 2.408 31 L HA 0.274 4.635 4.340 0.035 0.000 0.257 31 L C 0.667 177.736 176.870 0.332 0.000 1.053 31 L CA -0.024 54.963 54.840 0.245 0.000 0.922 31 L CB 1.394 43.587 42.059 0.222 0.000 1.261 31 L HN 0.059 nan 8.230 nan 0.000 0.458 32 Q N 0.154 120.088 119.800 0.224 0.000 2.245 32 Q HA -0.075 4.286 4.340 0.035 0.000 0.201 32 Q C 1.407 177.483 176.000 0.127 0.000 0.955 32 Q CA 0.921 56.810 55.803 0.143 0.000 0.870 32 Q CB 0.325 29.102 28.738 0.064 0.000 0.945 32 Q HN 0.576 nan 8.270 nan 0.000 0.461 33 Q N -0.344 119.537 119.800 0.136 0.000 2.435 33 Q HA -0.013 4.348 4.340 0.035 0.000 0.207 33 Q C 0.493 176.520 176.000 0.044 0.000 0.956 33 Q CA 0.157 55.981 55.803 0.035 0.000 0.917 33 Q CB -0.235 28.449 28.738 -0.090 0.000 0.997 33 Q HN 0.284 nan 8.270 nan 0.000 0.497 34 C N 3.278 122.689 119.300 0.185 0.000 2.648 34 C HA 0.211 4.692 4.460 0.035 0.000 0.419 34 C C -2.068 172.955 174.990 0.055 0.000 1.352 34 C CA -1.402 57.677 59.018 0.101 0.000 1.816 34 C CB -0.002 27.719 27.740 -0.031 0.000 2.598 34 C HN 0.167 nan 8.230 nan 0.000 0.598 35 P HA 0.110 nan 4.420 nan 0.000 0.271 35 P C 0.540 177.816 177.300 -0.040 0.000 1.216 35 P CA -0.102 63.040 63.100 0.070 0.000 0.776 35 P CB 0.232 31.941 31.700 0.014 0.000 0.881 36 F N 3.483 123.196 119.950 -0.395 0.000 2.085 36 F HA -0.340 4.208 4.527 0.036 0.000 0.299 36 F C 1.842 177.431 175.800 -0.351 0.000 1.096 36 F CA 2.006 59.469 58.000 -0.894 0.000 1.227 36 F CB -0.289 38.076 39.000 -1.059 0.000 0.983 36 F HN 0.298 nan 8.300 nan 0.000 0.482 37 E N 0.396 120.507 120.200 -0.149 0.000 2.058 37 E HA -0.237 4.134 4.350 0.035 0.000 0.194 37 E C 2.027 178.504 176.600 -0.205 0.000 0.997 37 E CA 1.651 57.956 56.400 -0.158 0.000 0.801 37 E CB -0.970 28.717 29.700 -0.022 0.000 0.746 37 E HN 0.562 nan 8.360 nan 0.000 0.450 38 D N 0.128 120.427 120.400 -0.169 0.000 2.097 38 D HA -0.143 4.518 4.640 0.035 0.000 0.195 38 D C 1.951 178.184 176.300 -0.111 0.000 0.989 38 D CA 0.994 54.907 54.000 -0.145 0.000 0.827 38 D CB -0.179 40.524 40.800 -0.162 0.000 0.966 38 D HN 0.269 nan 8.370 nan 0.000 0.456 39 H N 0.495 119.502 119.070 -0.105 0.000 2.321 39 H HA -0.052 4.525 4.556 0.035 0.000 0.300 39 H C 2.500 177.757 175.328 -0.119 0.000 1.087 39 H CA 0.492 56.518 56.048 -0.037 0.000 1.319 39 H CB -0.518 29.266 29.762 0.036 0.000 1.379 39 H HN -0.011 nan 8.280 nan 0.000 0.501 40 V N 1.524 121.300 119.914 -0.230 0.000 2.332 40 V HA -0.260 3.881 4.120 0.035 0.000 0.248 40 V C 2.642 178.660 176.094 -0.127 0.000 1.055 40 V CA 1.892 64.019 62.300 -0.290 0.000 1.038 40 V CB -0.462 31.029 31.823 -0.553 0.000 0.651 40 V HN 0.369 nan 8.190 nan 0.000 0.450 41 K N 0.034 120.372 120.400 -0.104 0.000 2.020 41 K HA -0.222 4.119 4.320 0.035 0.000 0.212 41 K C 2.141 178.747 176.600 0.010 0.000 1.050 41 K CA 1.963 58.224 56.287 -0.043 0.000 0.929 41 K CB -0.308 32.164 32.500 -0.046 0.000 0.714 41 K HN 0.428 nan 8.250 nan 0.000 0.443 42 L N 0.644 121.901 121.223 0.057 0.000 2.046 42 L HA -0.177 4.184 4.340 0.035 0.000 0.208 42 L C 2.483 179.475 176.870 0.203 0.000 1.077 42 L CA 0.804 55.722 54.840 0.130 0.000 0.747 42 L CB -0.404 41.739 42.059 0.139 0.000 0.896 42 L HN 0.020 nan 8.230 nan 0.000 0.432 43 V N 0.230 120.229 119.914 0.142 0.000 2.407 43 V HA -0.243 3.898 4.120 0.035 0.000 0.248 43 V C 2.147 178.253 176.094 0.021 0.000 1.055 43 V CA 1.714 64.001 62.300 -0.020 0.000 1.049 43 V CB -0.664 31.073 31.823 -0.144 0.000 0.662 43 V HN 0.520 nan 8.190 nan 0.000 0.455 44 N N -0.097 118.619 118.700 0.027 0.000 2.300 44 N HA -0.108 4.653 4.740 0.035 0.000 0.179 44 N C 1.791 177.342 175.510 0.068 0.000 1.016 44 N CA 0.979 54.053 53.050 0.040 0.000 0.876 44 N CB -0.093 38.402 38.487 0.013 0.000 0.979 44 N HN 0.600 nan 8.380 nan 0.000 0.432 45 E N 0.801 121.045 120.200 0.073 0.000 2.038 45 E HA -0.107 4.265 4.350 0.035 0.000 0.195 45 E C 1.997 178.689 176.600 0.154 0.000 1.000 45 E CA 0.981 57.435 56.400 0.091 0.000 0.803 45 E CB -0.025 29.716 29.700 0.068 0.000 0.750 45 E HN 0.013 nan 8.360 nan 0.000 0.448 46 V N 1.177 121.198 119.914 0.177 0.000 2.332 46 V HA -0.296 3.845 4.120 0.035 0.000 0.248 46 V C 2.356 178.638 176.094 0.313 0.000 1.055 46 V CA 2.199 64.665 62.300 0.276 0.000 1.038 46 V CB -0.745 31.186 31.823 0.181 0.000 0.651 46 V HN 0.363 nan 8.190 nan 0.000 0.450 47 T N -0.821 113.868 114.554 0.225 0.000 2.652 47 T HA -0.261 4.110 4.350 0.035 0.000 0.267 47 T C 1.873 176.602 174.700 0.049 0.000 1.039 47 T CA 1.920 64.118 62.100 0.163 0.000 1.153 47 T CB -0.248 68.707 68.868 0.145 0.000 0.863 47 T HN 0.622 nan 8.240 nan 0.000 0.428 48 E N -0.160 120.083 120.200 0.072 0.000 2.065 48 E HA -0.217 4.154 4.350 0.035 0.000 0.201 48 E C 1.930 178.549 176.600 0.032 0.000 1.016 48 E CA 1.522 57.945 56.400 0.039 0.000 0.818 48 E CB -0.280 29.461 29.700 0.068 0.000 0.749 48 E HN 0.461 nan 8.360 nan 0.000 0.453 49 F N 0.872 120.806 119.950 -0.026 0.000 2.126 49 F HA -0.178 4.370 4.527 0.035 0.000 0.299 49 F C 2.008 177.750 175.800 -0.097 0.000 1.096 49 F CA 1.565 59.550 58.000 -0.026 0.000 1.255 49 F CB -0.695 38.333 39.000 0.047 0.000 0.997 49 F HN 0.086 nan 8.300 nan 0.000 0.479 50 A N 0.208 122.835 122.820 -0.321 0.000 1.902 50 A HA -0.220 4.121 4.320 0.035 0.000 0.217 50 A C 2.267 179.364 177.584 -0.812 0.000 1.181 50 A CA 1.962 53.642 52.037 -0.595 0.000 0.623 50 A CB -0.681 17.927 19.000 -0.654 0.000 0.818 50 A HN 0.466 nan 8.150 nan 0.000 0.443 51 K N -0.412 119.543 120.400 -0.742 0.000 2.026 51 K HA -0.132 4.209 4.320 0.035 0.000 0.208 51 K C 2.312 178.643 176.600 -0.449 0.000 1.048 51 K CA 1.920 57.806 56.287 -0.668 0.000 0.929 51 K CB -0.604 31.640 32.500 -0.426 0.000 0.713 51 K HN 0.738 nan 8.250 nan 0.000 0.439 52 T N -0.095 114.239 114.554 -0.366 0.000 2.624 52 T HA -0.279 4.092 4.350 0.035 0.000 0.268 52 T C 2.312 176.814 174.700 -0.330 0.000 1.041 52 T CA 1.741 63.670 62.100 -0.285 0.000 1.159 52 T CB -1.217 67.520 68.868 -0.218 0.000 0.863 52 T HN 0.246 nan 8.240 nan 0.000 0.434 53 c N 1.077 119.383 118.600 -0.490 0.000 2.413 53 c HA -0.022 4.569 4.570 0.035 0.000 0.276 53 c C 3.032 176.959 174.090 -0.271 0.000 1.236 53 c CA 0.528 56.621 56.329 -0.393 0.000 1.735 53 c CB -1.532 40.688 42.510 -0.483 0.000 2.031 53 c HN 0.506 nan 8.230 nan 0.000 0.474 54 V N 1.396 121.111 119.914 -0.332 0.000 2.282 54 V HA -0.295 3.846 4.120 0.035 0.000 0.249 54 V C 2.692 178.682 176.094 -0.173 0.000 1.057 54 V CA 2.462 64.615 62.300 -0.245 0.000 1.032 54 V CB -1.216 30.395 31.823 -0.354 0.000 0.645 54 V HN 0.648 nan 8.190 nan 0.000 0.447 55 A N -1.356 121.347 122.820 -0.195 0.000 1.929 55 A HA -0.097 4.244 4.320 0.035 0.000 0.216 55 A C 1.265 178.787 177.584 -0.103 0.000 1.176 55 A CA 1.608 53.565 52.037 -0.133 0.000 0.628 55 A CB -0.055 18.865 19.000 -0.134 0.000 0.816 55 A HN 0.544 nan 8.150 nan 0.000 0.444 56 D N -1.363 118.967 120.400 -0.117 0.000 2.319 56 D HA 0.212 4.873 4.640 0.035 0.000 0.237 56 D C 0.050 176.296 176.300 -0.089 0.000 1.353 56 D CA -0.278 53.672 54.000 -0.083 0.000 0.992 56 D CB 0.520 41.282 40.800 -0.064 0.000 1.368 56 D HN 0.307 nan 8.370 nan 0.000 0.564 57 E N 0.330 120.486 120.200 -0.073 0.000 2.347 57 E HA -0.049 4.322 4.350 0.035 0.000 0.196 57 E C 1.279 177.861 176.600 -0.031 0.000 1.008 57 E CA 0.529 56.892 56.400 -0.062 0.000 0.852 57 E CB 0.363 30.037 29.700 -0.043 0.000 0.783 57 E HN 0.266 nan 8.360 nan 0.000 0.505 58 S N 1.039 116.724 115.700 -0.024 0.000 2.481 58 S HA 0.049 4.540 4.470 0.035 0.000 0.231 58 S C 1.051 175.655 174.600 0.006 0.000 0.996 58 S CA 0.206 58.403 58.200 -0.006 0.000 0.942 58 S CB 0.017 63.212 63.200 -0.007 0.000 0.768 58 S HN 0.310 nan 8.310 nan 0.000 0.520 59 A N 1.855 124.673 122.820 -0.003 0.000 2.521 59 A HA 0.128 4.469 4.320 0.035 0.000 0.237 59 A C 1.491 179.116 177.584 0.069 0.000 1.087 59 A CA 0.146 52.195 52.037 0.020 0.000 0.777 59 A CB -0.082 18.916 19.000 -0.004 0.000 1.035 59 A HN 0.290 nan 8.150 nan 0.000 0.510 60 E N 0.806 121.057 120.200 0.086 0.000 2.136 60 E HA -0.244 4.127 4.350 0.035 0.000 0.208 60 E C 0.796 177.465 176.600 0.115 0.000 1.035 60 E CA 2.667 59.120 56.400 0.088 0.000 0.838 60 E CB -0.055 29.693 29.700 0.079 0.000 0.748 60 E HN 0.692 nan 8.360 nan 0.000 0.459 61 N N -1.429 117.399 118.700 0.214 0.000 2.238 61 N HA 0.087 4.848 4.740 0.035 0.000 0.235 61 N C -0.258 175.487 175.510 0.392 0.000 1.209 61 N CA 0.169 53.354 53.050 0.224 0.000 0.879 61 N CB 0.453 38.981 38.487 0.068 0.000 1.136 61 N HN 0.181 nan 8.380 nan 0.000 0.517 62 c N 1.094 119.881 118.600 0.312 0.000 2.626 62 c HA 0.052 4.643 4.570 0.035 0.000 0.266 62 c C 1.896 176.064 174.090 0.131 0.000 1.317 62 c CA -0.134 56.323 56.329 0.214 0.000 1.716 62 c CB -0.814 41.701 42.510 0.008 0.000 1.819 62 c HN 0.467 nan 8.230 nan 0.000 0.578 63 D N 0.145 120.615 120.400 0.116 0.000 2.389 63 D HA -0.003 4.658 4.640 0.035 0.000 0.206 63 D C 0.532 176.873 176.300 0.069 0.000 1.055 63 D CA 0.124 54.167 54.000 0.072 0.000 0.856 63 D CB 0.039 40.869 40.800 0.051 0.000 0.957 63 D HN 0.353 nan 8.370 nan 0.000 0.509 64 K N 1.152 121.605 120.400 0.089 0.000 2.234 64 K HA 0.139 4.480 4.320 0.035 0.000 0.251 64 K C 0.697 177.325 176.600 0.046 0.000 1.011 64 K CA -0.147 56.179 56.287 0.064 0.000 0.889 64 K CB 0.653 33.191 32.500 0.063 0.000 1.011 64 K HN 0.098 nan 8.250 nan 0.000 0.505 65 S N 0.686 116.402 115.700 0.026 0.000 2.584 65 S HA 0.114 4.605 4.470 0.035 0.000 0.273 65 S C 1.351 175.901 174.600 -0.084 0.000 1.311 65 S CA -0.667 57.525 58.200 -0.013 0.000 1.034 65 S CB 0.480 63.692 63.200 0.020 0.000 0.939 65 S HN 0.553 nan 8.310 nan 0.000 0.513 66 L N 1.300 122.383 121.223 -0.233 0.000 2.042 66 L HA -0.157 4.204 4.340 0.035 0.000 0.210 66 L C 2.677 179.222 176.870 -0.542 0.000 1.076 66 L CA 1.496 55.995 54.840 -0.569 0.000 0.749 66 L CB -0.909 40.711 42.059 -0.731 0.000 0.893 66 L HN 0.783 nan 8.230 nan 0.000 0.432 67 H N -0.014 118.921 119.070 -0.225 0.000 2.267 67 H HA -0.153 4.449 4.556 0.076 0.000 0.297 67 H C 2.368 177.706 175.328 0.017 0.000 1.080 67 H CA 2.023 58.036 56.048 -0.059 0.000 1.278 67 H CB -0.783 29.001 29.762 0.036 0.000 1.365 67 H HN 0.298 nan 8.280 nan 0.000 0.489 68 T N 2.162 116.802 114.554 0.143 0.000 2.565 68 T HA -0.202 4.169 4.350 0.035 0.000 0.265 68 T C 2.524 177.291 174.700 0.111 0.000 1.082 68 T CA 1.745 63.909 62.100 0.107 0.000 1.173 68 T CB -0.759 68.148 68.868 0.066 0.000 0.864 68 T HN 0.170 nan 8.240 nan 0.000 0.425 69 L N -0.368 120.909 121.223 0.091 0.000 1.990 69 L HA -0.130 4.231 4.340 0.035 0.000 0.213 69 L C 2.610 179.712 176.870 0.387 0.000 1.072 69 L CA 1.529 56.473 54.840 0.173 0.000 0.755 69 L CB -0.694 41.494 42.059 0.215 0.000 0.889 69 L HN 0.206 nan 8.230 nan 0.000 0.432 70 F N 0.128 120.154 119.950 0.127 0.000 2.206 70 F HA -0.028 4.523 4.527 0.040 0.000 0.298 70 F C 2.496 178.324 175.800 0.046 0.000 1.090 70 F CA 0.792 58.898 58.000 0.177 0.000 1.323 70 F CB -1.789 37.333 39.000 0.203 0.000 1.028 70 F HN 0.012 nan 8.300 nan 0.000 0.492 71 G N 0.102 109.073 108.800 0.285 0.000 2.421 71 G HA2 -0.211 3.770 3.960 0.035 0.000 0.216 71 G HA3 -0.211 3.770 3.960 0.035 0.000 0.216 71 G C 1.478 176.462 174.900 0.139 0.000 1.171 71 G CA 0.944 46.190 45.100 0.244 0.000 0.775 71 G HN 0.249 nan 8.290 nan 0.000 0.543 72 D N 0.579 121.035 120.400 0.093 0.000 2.104 72 D HA -0.117 4.545 4.640 0.035 0.000 0.194 72 D C 2.368 178.654 176.300 -0.022 0.000 0.994 72 D CA 1.347 55.364 54.000 0.028 0.000 0.830 72 D CB -0.031 40.773 40.800 0.007 0.000 0.959 72 D HN 0.194 nan 8.370 nan 0.000 0.452 73 K N 1.132 121.512 120.400 -0.033 0.000 2.002 73 K HA -0.067 4.274 4.320 0.035 0.000 0.209 73 K C 2.335 178.771 176.600 -0.274 0.000 1.048 73 K CA 0.677 56.890 56.287 -0.122 0.000 0.930 73 K CB -0.658 31.800 32.500 -0.070 0.000 0.714 73 K HN 0.058 nan 8.250 nan 0.000 0.438 74 L N -0.116 120.866 121.223 -0.403 0.000 1.990 74 L HA -0.295 4.066 4.340 0.035 0.000 0.213 74 L C 2.369 179.113 176.870 -0.211 0.000 1.072 74 L CA 1.515 56.076 54.840 -0.465 0.000 0.755 74 L CB -0.479 41.285 42.059 -0.491 0.000 0.889 74 L HN 0.286 nan 8.230 nan 0.000 0.432 75 c N -0.249 118.312 118.600 -0.065 0.000 2.466 75 c HA -0.102 4.489 4.570 0.035 0.000 0.283 75 c C 2.840 176.877 174.090 -0.088 0.000 1.472 75 c CA 1.135 57.445 56.329 -0.032 0.000 1.765 75 c CB -1.491 41.034 42.510 0.026 0.000 1.724 75 c HN 0.685 nan 8.230 nan 0.000 0.560 76 T N -1.866 112.625 114.554 -0.105 0.000 2.833 76 T HA -0.107 4.264 4.350 0.035 0.000 0.269 76 T C 1.459 176.098 174.700 -0.102 0.000 1.054 76 T CA 1.996 64.041 62.100 -0.092 0.000 1.135 76 T CB -0.284 68.532 68.868 -0.088 0.000 0.869 76 T HN 0.354 nan 8.240 nan 0.000 0.466 77 V N 1.166 120.988 119.914 -0.153 0.000 2.788 77 V HA 0.367 4.509 4.120 0.035 0.000 0.241 77 V C 3.115 178.998 176.094 -0.353 0.000 1.083 77 V CA 0.621 62.821 62.300 -0.166 0.000 1.103 77 V CB -0.958 30.772 31.823 -0.154 0.000 0.800 77 V HN 0.568 nan 8.190 nan 0.000 0.476 78 A N 0.436 122.959 122.820 -0.495 0.000 2.019 78 A HA -0.196 4.145 4.320 0.035 0.000 0.219 78 A C 2.293 179.671 177.584 -0.345 0.000 1.164 78 A CA 2.282 53.884 52.037 -0.725 0.000 0.644 78 A CB -0.920 17.869 19.000 -0.351 0.000 0.805 78 A HN 0.493 nan 8.150 nan 0.000 0.449 79 T N 0.187 114.636 114.554 -0.176 0.000 2.737 79 T HA -0.106 4.265 4.350 0.035 0.000 0.269 79 T C 0.841 175.527 174.700 -0.023 0.000 1.040 79 T CA 0.738 62.789 62.100 -0.081 0.000 1.142 79 T CB -0.529 68.305 68.868 -0.058 0.000 0.861 79 T HN 0.364 nan 8.240 nan 0.000 0.456 80 L N 2.660 123.895 121.223 0.021 0.000 2.513 80 L HA 0.073 4.434 4.340 0.035 0.000 0.272 80 L C 1.566 178.529 176.870 0.156 0.000 1.187 80 L CA 0.027 54.925 54.840 0.097 0.000 0.895 80 L CB 0.554 42.698 42.059 0.141 0.000 1.147 80 L HN 0.294 nan 8.230 nan 0.000 0.483 81 R N 1.628 122.185 120.500 0.095 0.000 2.432 81 R HA 0.063 4.424 4.340 0.035 0.000 0.260 81 R C 1.072 177.411 176.300 0.064 0.000 0.935 81 R CA 0.011 56.165 56.100 0.091 0.000 1.080 81 R CB 0.131 30.461 30.300 0.050 0.000 1.155 81 R HN 0.656 nan 8.270 nan 0.000 0.531 82 E N 0.805 121.038 120.200 0.055 0.000 2.385 82 E HA 0.003 4.374 4.350 0.035 0.000 0.194 82 E C 0.517 177.120 176.600 0.006 0.000 1.013 82 E CA 1.104 57.519 56.400 0.025 0.000 0.866 82 E CB 0.422 30.132 29.700 0.017 0.000 0.832 82 E HN 0.320 nan 8.360 nan 0.000 0.500 83 T N -0.922 113.647 114.554 0.026 0.000 2.988 83 T HA 0.067 4.438 4.350 0.035 0.000 0.240 83 T C 0.810 175.384 174.700 -0.211 0.000 1.014 83 T CA 0.594 62.635 62.100 -0.099 0.000 1.155 83 T CB -0.224 68.588 68.868 -0.093 0.000 0.872 83 T HN 0.140 nan 8.240 nan 0.000 0.440 84 Y N 0.723 121.029 120.300 0.010 0.000 2.483 84 Y HA 0.464 5.037 4.550 0.039 0.000 0.243 84 Y C 2.474 178.386 175.900 0.020 0.000 1.024 84 Y CA 0.706 58.819 58.100 0.022 0.000 1.091 84 Y CB -0.448 38.032 38.460 0.033 0.000 1.034 84 Y HN 0.362 nan 8.280 nan 0.000 0.475 85 G N -0.946 107.976 108.800 0.203 0.000 2.561 85 G HA2 -0.211 3.771 3.960 0.035 0.000 0.203 85 G HA3 -0.211 3.771 3.960 0.035 0.000 0.203 85 G C 0.970 175.921 174.900 0.086 0.000 1.101 85 G CA 0.364 45.526 45.100 0.103 0.000 0.711 85 G HN 0.384 nan 8.290 nan 0.000 0.511 86 E N 0.054 120.326 120.200 0.120 0.000 2.372 86 E HA 0.287 4.659 4.350 0.035 0.000 0.201 86 E C 2.265 178.912 176.600 0.079 0.000 0.938 86 E CA 0.196 56.676 56.400 0.134 0.000 0.944 86 E CB 0.032 29.844 29.700 0.187 0.000 0.937 86 E HN 0.422 nan 8.360 nan 0.000 0.495 87 M N 0.693 120.335 119.600 0.070 0.000 2.349 87 M HA 0.104 4.605 4.480 0.035 0.000 0.266 87 M C 2.352 178.539 176.300 -0.187 0.000 1.076 87 M CA 0.645 55.895 55.300 -0.084 0.000 1.126 87 M CB -0.498 32.165 32.600 0.105 0.000 1.392 87 M HN 0.050 nan 8.290 nan 0.000 0.440 88 A N 0.710 123.476 122.820 -0.091 0.000 2.131 88 A HA -0.175 4.166 4.320 0.035 0.000 0.220 88 A C 1.781 179.279 177.584 -0.144 0.000 1.158 88 A CA 1.467 53.441 52.037 -0.106 0.000 0.665 88 A CB -0.657 18.318 19.000 -0.042 0.000 0.795 88 A HN 0.438 nan 8.150 nan 0.000 0.460 89 D N -0.067 120.233 120.400 -0.166 0.000 2.097 89 D HA -0.152 4.509 4.640 0.035 0.000 0.195 89 D C 1.960 178.092 176.300 -0.280 0.000 0.989 89 D CA 1.809 55.697 54.000 -0.187 0.000 0.827 89 D CB -0.366 40.331 40.800 -0.173 0.000 0.966 89 D HN 0.516 nan 8.370 nan 0.000 0.456 90 c N 0.844 119.170 118.600 -0.457 0.000 2.410 90 c HA -0.122 4.469 4.570 0.035 0.000 0.281 90 c C 3.055 176.870 174.090 -0.458 0.000 1.318 90 c CA -0.208 55.748 56.329 -0.621 0.000 1.776 90 c CB -1.274 40.499 42.510 -1.227 0.000 1.942 90 c HN 0.466 nan 8.230 nan 0.000 0.508 91 c N 1.115 119.522 118.600 -0.322 0.000 2.462 91 c HA -0.006 4.585 4.570 0.035 0.000 0.278 91 c C 3.155 177.169 174.090 -0.127 0.000 1.253 91 c CA 1.274 57.498 56.329 -0.175 0.000 1.713 91 c CB -1.460 40.980 42.510 -0.118 0.000 2.049 91 c HN 0.690 nan 8.230 nan 0.000 0.477 92 A N 0.070 122.816 122.820 -0.123 0.000 2.178 92 A HA -0.070 4.271 4.320 0.035 0.000 0.218 92 A C 0.927 178.457 177.584 -0.091 0.000 1.157 92 A CA 1.051 53.034 52.037 -0.090 0.000 0.689 92 A CB -0.347 18.606 19.000 -0.079 0.000 0.787 92 A HN 0.720 nan 8.150 nan 0.000 0.465 93 K N 0.314 120.639 120.400 -0.125 0.000 2.174 93 K HA 0.399 4.741 4.320 0.035 0.000 0.275 93 K C -0.299 176.249 176.600 -0.087 0.000 1.015 93 K CA -0.235 55.984 56.287 -0.113 0.000 0.933 93 K CB 0.695 33.102 32.500 -0.157 0.000 1.025 93 K HN 0.344 nan 8.250 nan 0.000 0.463 94 Q N 0.947 120.713 119.800 -0.056 0.000 2.194 94 Q HA 0.178 4.539 4.340 0.035 0.000 0.245 94 Q C -0.529 175.458 176.000 -0.022 0.000 0.993 94 Q CA -0.703 55.083 55.803 -0.029 0.000 0.930 94 Q CB 0.903 29.632 28.738 -0.016 0.000 1.238 94 Q HN 0.326 nan 8.270 nan 0.000 0.486 95 E N 1.736 121.940 120.200 0.007 0.000 2.383 95 E HA 0.057 4.428 4.350 0.035 0.000 0.264 95 E C -1.612 175.001 176.600 0.022 0.000 1.050 95 E CA -1.344 55.070 56.400 0.023 0.000 0.896 95 E CB 0.322 30.060 29.700 0.064 0.000 0.982 95 E HN 0.460 nan 8.360 nan 0.000 0.424 96 P HA 0.105 nan 4.420 nan 0.000 0.255 96 P C 0.411 177.709 177.300 -0.004 0.000 1.248 96 P CA 0.311 63.433 63.100 0.036 0.000 0.807 96 P CB 0.624 32.363 31.700 0.066 0.000 1.150 97 E N 0.640 120.825 120.200 -0.025 0.000 2.106 97 E HA -0.125 4.247 4.350 0.035 0.000 0.192 97 E C 2.243 178.776 176.600 -0.111 0.000 0.984 97 E CA 0.868 57.234 56.400 -0.057 0.000 0.806 97 E CB -0.421 29.245 29.700 -0.057 0.000 0.750 97 E HN 0.156 nan 8.360 nan 0.000 0.458 98 R N 0.597 121.028 120.500 -0.115 0.000 2.105 98 R HA -0.199 4.162 4.340 0.035 0.000 0.239 98 R C 1.918 178.111 176.300 -0.178 0.000 1.135 98 R CA 1.804 57.792 56.100 -0.188 0.000 0.967 98 R CB -0.139 30.098 30.300 -0.104 0.000 0.861 98 R HN 0.088 nan 8.270 nan 0.000 0.442 99 N N 0.285 118.922 118.700 -0.106 0.000 2.207 99 N HA -0.120 4.641 4.740 0.035 0.000 0.182 99 N C 1.297 176.721 175.510 -0.144 0.000 1.020 99 N CA 1.387 54.355 53.050 -0.137 0.000 0.858 99 N CB 0.082 38.291 38.487 -0.462 0.000 0.991 99 N HN 0.293 nan 8.380 nan 0.000 0.427 100 E N -0.324 119.812 120.200 -0.107 0.000 2.114 100 E HA -0.266 4.105 4.350 0.035 0.000 0.199 100 E C 2.027 178.570 176.600 -0.095 0.000 1.008 100 E CA 1.286 57.648 56.400 -0.063 0.000 0.810 100 E CB -0.275 29.406 29.700 -0.032 0.000 0.739 100 E HN 0.466 nan 8.360 nan 0.000 0.456 101 c N -0.088 118.403 118.600 -0.182 0.000 2.462 101 c HA -0.143 4.448 4.570 0.035 0.000 0.278 101 c C 2.384 176.288 174.090 -0.310 0.000 1.253 101 c CA 0.491 56.649 56.329 -0.284 0.000 1.713 101 c CB -1.199 41.031 42.510 -0.466 0.000 2.049 101 c HN 0.373 nan 8.230 nan 0.000 0.477 102 F N 1.473 121.212 119.950 -0.351 0.000 2.120 102 F HA -0.117 4.422 4.527 0.019 0.000 0.300 102 F C 2.221 177.701 175.800 -0.533 0.000 1.095 102 F CA 1.713 59.396 58.000 -0.529 0.000 1.249 102 F CB -0.925 37.559 39.000 -0.861 0.000 0.995 102 F HN 0.232 nan 8.300 nan 0.000 0.480 103 L N -0.940 120.146 121.223 -0.229 0.000 2.056 103 L HA -0.223 4.138 4.340 0.035 0.000 0.207 103 L C 2.425 179.299 176.870 0.006 0.000 1.078 103 L CA 1.215 55.975 54.840 -0.133 0.000 0.749 103 L CB -0.862 41.164 42.059 -0.054 0.000 0.901 103 L HN 0.176 nan 8.230 nan 0.000 0.433 104 Q N -0.580 119.249 119.800 0.048 0.000 2.096 104 Q HA -0.225 4.137 4.340 0.035 0.000 0.204 104 Q C 1.902 177.983 176.000 0.135 0.000 0.982 104 Q CA 1.560 57.431 55.803 0.114 0.000 0.850 104 Q CB -0.117 28.717 28.738 0.160 0.000 0.901 104 Q HN 0.540 nan 8.270 nan 0.000 0.422 105 H N 0.168 119.207 119.070 -0.053 0.000 2.547 105 H HA 0.144 4.723 4.556 0.040 0.000 0.266 105 H C -0.164 175.156 175.328 -0.014 0.000 0.988 105 H CA 0.278 56.309 56.048 -0.028 0.000 1.147 105 H CB 0.109 29.853 29.762 -0.030 0.000 1.365 105 H HN -0.023 nan 8.280 nan 0.000 0.589 106 K N 1.761 122.192 120.400 0.052 0.000 2.453 106 K HA -0.048 4.293 4.320 0.035 0.000 0.280 106 K C -0.296 176.350 176.600 0.077 0.000 1.045 106 K CA 0.186 56.475 56.287 0.003 0.000 1.059 106 K CB 0.308 32.720 32.500 -0.145 0.000 0.901 106 K HN 0.155 nan 8.250 nan 0.000 0.475 107 D N 3.239 123.673 120.400 0.056 0.000 2.427 107 D HA 0.059 4.720 4.640 0.035 0.000 0.226 107 D C 0.109 176.449 176.300 0.067 0.000 1.076 107 D CA -0.326 53.704 54.000 0.049 0.000 0.849 107 D CB 0.936 41.748 40.800 0.019 0.000 1.052 107 D HN 0.409 nan 8.370 nan 0.000 0.515 108 D N 2.496 122.956 120.400 0.099 0.000 2.310 108 D HA -0.115 4.546 4.640 0.035 0.000 0.212 108 D C 0.277 176.574 176.300 -0.005 0.000 0.965 108 D CA 0.832 54.880 54.000 0.080 0.000 0.879 108 D CB 0.279 41.115 40.800 0.060 0.000 0.921 108 D HN 0.503 nan 8.370 nan 0.000 0.510 109 N N 0.345 119.036 118.700 -0.015 0.000 2.727 109 N HA 0.149 4.910 4.740 0.035 0.000 0.252 109 N C -2.903 172.586 175.510 -0.034 0.000 1.283 109 N CA -1.234 51.794 53.050 -0.036 0.000 0.782 109 N CB 1.657 40.126 38.487 -0.031 0.000 1.199 109 N HN -0.207 nan 8.380 nan 0.000 0.520 110 P HA 0.286 nan 4.420 nan 0.000 0.297 110 P C -1.173 176.107 177.300 -0.034 0.000 1.331 110 P CA -0.582 62.499 63.100 -0.032 0.000 0.803 110 P CB 0.739 32.419 31.700 -0.033 0.000 0.929 111 N N 3.523 122.206 118.700 -0.029 0.000 2.657 111 N HA 0.052 4.813 4.740 0.035 0.000 0.308 111 N C -0.198 175.295 175.510 -0.028 0.000 1.212 111 N CA 0.684 53.717 53.050 -0.029 0.000 1.157 111 N CB -0.775 37.694 38.487 -0.030 0.000 1.462 111 N HN 0.406 nan 8.380 nan 0.000 0.509 112 L N 1.537 122.743 121.223 -0.028 0.000 2.362 112 L HA 0.569 4.930 4.340 0.035 0.000 0.271 112 L C -1.785 175.075 176.870 -0.017 0.000 1.002 112 L CA -1.995 52.831 54.840 -0.023 0.000 0.818 112 L CB 1.821 43.862 42.059 -0.030 0.000 1.298 112 L HN 0.201 nan 8.230 nan 0.000 0.420 113 P HA 0.269 nan 4.420 nan 0.000 0.275 113 P C -1.044 176.259 177.300 0.004 0.000 1.228 113 P CA -0.481 62.617 63.100 -0.004 0.000 0.786 113 P CB 0.778 32.478 31.700 0.001 0.000 0.927 114 R N 1.255 121.760 120.500 0.008 0.000 2.410 114 R HA 0.329 4.690 4.340 0.035 0.000 0.288 114 R C 0.101 176.417 176.300 0.027 0.000 1.051 114 R CA -0.988 55.124 56.100 0.020 0.000 1.021 114 R CB 0.601 30.915 30.300 0.023 0.000 1.032 114 R HN 0.447 nan 8.270 nan 0.000 0.481 115 L N 4.434 125.678 121.223 0.036 0.000 2.448 115 L HA 0.049 4.410 4.340 0.035 0.000 0.278 115 L C 0.098 176.998 176.870 0.049 0.000 1.201 115 L CA -0.006 54.858 54.840 0.040 0.000 1.036 115 L CB 0.497 42.581 42.059 0.041 0.000 1.325 115 L HN 0.396 nan 8.230 nan 0.000 0.441 116 V N 6.942 126.881 119.914 0.041 0.000 2.613 116 V HA -0.099 4.042 4.120 0.035 0.000 0.289 116 V C 0.739 176.868 176.094 0.058 0.000 0.985 116 V CA 0.166 62.492 62.300 0.044 0.000 1.181 116 V CB -0.419 31.424 31.823 0.033 0.000 0.883 116 V HN 0.871 nan 8.190 nan 0.000 0.465 117 R N 8.036 128.580 120.500 0.073 0.000 2.347 117 R HA 0.576 4.937 4.340 0.035 0.000 0.304 117 R C -2.277 174.079 176.300 0.093 0.000 1.072 117 R CA -1.353 54.806 56.100 0.098 0.000 0.980 117 R CB 0.337 30.710 30.300 0.123 0.000 0.986 117 R HN 0.606 nan 8.270 nan 0.000 0.448 118 P HA 0.149 nan 4.420 nan 0.000 0.276 118 P C -0.760 176.598 177.300 0.097 0.000 1.261 118 P CA -0.588 62.568 63.100 0.093 0.000 0.800 118 P CB 0.674 32.435 31.700 0.101 0.000 1.066 119 E N -0.707 119.535 120.200 0.071 0.000 2.461 119 E HA -0.040 4.331 4.350 0.035 0.000 0.263 119 E C 1.311 177.951 176.600 0.068 0.000 1.143 119 E CA 0.045 56.477 56.400 0.055 0.000 0.994 119 E CB 0.053 29.775 29.700 0.036 0.000 0.973 119 E HN 0.078 nan 8.360 nan 0.000 0.457 120 V N 1.359 121.295 119.914 0.037 0.000 2.490 120 V HA -0.229 3.912 4.120 0.035 0.000 0.250 120 V C 1.478 177.590 176.094 0.029 0.000 1.061 120 V CA 2.015 64.328 62.300 0.021 0.000 1.064 120 V CB -0.433 31.365 31.823 -0.042 0.000 0.670 120 V HN 0.655 nan 8.190 nan 0.000 0.461 121 D N -0.272 120.139 120.400 0.019 0.000 2.194 121 D HA -0.083 4.578 4.640 0.035 0.000 0.204 121 D C 2.030 178.349 176.300 0.032 0.000 0.964 121 D CA 0.775 54.781 54.000 0.010 0.000 0.846 121 D CB 0.110 40.908 40.800 -0.002 0.000 0.962 121 D HN 0.231 nan 8.370 nan 0.000 0.490 122 V N 0.439 120.387 119.914 0.056 0.000 2.323 122 V HA -0.230 3.911 4.120 0.035 0.000 0.244 122 V C 2.480 178.633 176.094 0.099 0.000 1.041 122 V CA 1.291 63.633 62.300 0.070 0.000 1.025 122 V CB -0.414 31.456 31.823 0.080 0.000 0.656 122 V HN 0.272 nan 8.190 nan 0.000 0.451 123 M N -0.753 118.950 119.600 0.172 0.000 2.073 123 M HA -0.266 4.235 4.480 0.035 0.000 0.258 123 M C 2.467 178.783 176.300 0.026 0.000 1.070 123 M CA 2.113 57.572 55.300 0.264 0.000 1.103 123 M CB -1.023 31.919 32.600 0.571 0.000 1.321 123 M HN 0.411 nan 8.290 nan 0.000 0.405 124 c N 0.221 118.886 118.600 0.107 0.000 2.413 124 c HA -0.144 4.447 4.570 0.035 0.000 0.276 124 c C 2.949 177.060 174.090 0.034 0.000 1.248 124 c CA 1.490 57.856 56.329 0.062 0.000 1.742 124 c CB -1.172 41.342 42.510 0.008 0.000 2.017 124 c HN 0.593 nan 8.230 nan 0.000 0.481 125 T N 1.054 115.613 114.554 0.008 0.000 2.701 125 T HA -0.103 4.268 4.350 0.035 0.000 0.263 125 T C 2.178 176.872 174.700 -0.009 0.000 1.040 125 T CA 1.667 63.773 62.100 0.010 0.000 1.147 125 T CB -0.528 68.347 68.868 0.012 0.000 0.865 125 T HN 0.631 nan 8.240 nan 0.000 0.426 126 A N 1.314 124.102 122.820 -0.054 0.000 1.892 126 A HA -0.121 4.220 4.320 0.035 0.000 0.218 126 A C 2.029 179.424 177.584 -0.315 0.000 1.188 126 A CA 1.768 53.745 52.037 -0.101 0.000 0.631 126 A CB -1.178 17.845 19.000 0.037 0.000 0.822 126 A HN 0.489 nan 8.150 nan 0.000 0.447 127 F N -0.160 119.279 119.950 -0.852 0.000 2.120 127 F HA -0.262 4.285 4.527 0.035 0.000 0.300 127 F C 2.204 177.855 175.800 -0.248 0.000 1.095 127 F CA 2.558 60.057 58.000 -0.835 0.000 1.249 127 F CB -0.324 38.242 39.000 -0.724 0.000 0.995 127 F HN 0.415 nan 8.300 nan 0.000 0.480 128 H N -0.403 118.559 119.070 -0.181 0.000 2.384 128 H HA -0.032 4.545 4.556 0.035 0.000 0.300 128 H C 2.099 177.333 175.328 -0.156 0.000 1.057 128 H CA 1.675 57.625 56.048 -0.163 0.000 1.370 128 H CB -0.419 29.328 29.762 -0.024 0.000 1.417 128 H HN 0.218 nan 8.280 nan 0.000 0.527 129 D N -0.044 120.357 120.400 0.003 0.000 2.182 129 D HA -0.128 4.533 4.640 0.035 0.000 0.201 129 D C 0.015 176.279 176.300 -0.060 0.000 0.986 129 D CA 1.088 55.077 54.000 -0.019 0.000 0.847 129 D CB 0.219 41.021 40.800 0.002 0.000 0.942 129 D HN 0.265 nan 8.370 nan 0.000 0.467 130 N N -0.424 118.216 118.700 -0.099 0.000 3.261 130 N HA -0.050 4.711 4.740 0.035 0.000 0.227 130 N C 0.565 176.001 175.510 -0.125 0.000 1.338 130 N CA 0.064 53.053 53.050 -0.101 0.000 0.833 130 N CB 1.148 39.620 38.487 -0.027 0.000 1.606 130 N HN 0.067 nan 8.380 nan 0.000 0.649 131 E N 1.410 121.443 120.200 -0.278 0.000 2.072 131 E HA -0.109 4.262 4.350 0.035 0.000 0.190 131 E C 0.667 177.235 176.600 -0.052 0.000 0.982 131 E CA 0.841 57.055 56.400 -0.309 0.000 0.803 131 E CB 0.035 29.271 29.700 -0.772 0.000 0.755 131 E HN 0.510 nan 8.360 nan 0.000 0.453 132 E N 0.618 120.778 120.200 -0.067 0.000 2.108 132 E HA -0.218 4.153 4.350 0.035 0.000 0.203 132 E C 2.193 178.837 176.600 0.074 0.000 1.022 132 E CA 2.174 58.575 56.400 0.002 0.000 0.823 132 E CB -0.272 29.421 29.700 -0.013 0.000 0.744 132 E HN 0.349 nan 8.360 nan 0.000 0.456 133 T N 0.724 115.335 114.554 0.094 0.000 2.674 133 T HA -0.161 4.210 4.350 0.035 0.000 0.265 133 T C 1.494 176.268 174.700 0.124 0.000 1.039 133 T CA 1.093 63.290 62.100 0.162 0.000 1.150 133 T CB -0.487 68.465 68.868 0.141 0.000 0.864 133 T HN 0.135 nan 8.240 nan 0.000 0.427 134 F N 1.792 121.712 119.950 -0.049 0.000 2.063 134 F HA -0.167 4.382 4.527 0.036 0.000 0.298 134 F C 1.981 177.766 175.800 -0.024 0.000 1.109 134 F CA 1.431 59.395 58.000 -0.061 0.000 1.212 134 F CB -0.509 38.463 39.000 -0.046 0.000 0.973 134 F HN 0.075 nan 8.300 nan 0.000 0.480 135 L N -0.484 120.839 121.223 0.165 0.000 2.093 135 L HA -0.208 4.153 4.340 0.035 0.000 0.208 135 L C 2.358 179.264 176.870 0.059 0.000 1.085 135 L CA 1.387 56.284 54.840 0.095 0.000 0.755 135 L CB -0.787 41.366 42.059 0.157 0.000 0.904 135 L HN 0.041 nan 8.230 nan 0.000 0.435 136 K N 0.558 121.026 120.400 0.114 0.000 2.074 136 K HA -0.251 4.090 4.320 0.035 0.000 0.209 136 K C 2.172 178.927 176.600 0.257 0.000 1.048 136 K CA 1.600 58.012 56.287 0.208 0.000 0.926 136 K CB -0.128 32.570 32.500 0.330 0.000 0.713 136 K HN 0.007 nan 8.250 nan 0.000 0.444 137 K N -0.027 120.372 120.400 -0.002 0.000 2.209 137 K HA -0.188 4.153 4.320 0.035 0.000 0.204 137 K C 1.887 178.422 176.600 -0.108 0.000 1.048 137 K CA 1.060 57.179 56.287 -0.280 0.000 0.940 137 K CB -0.187 31.900 32.500 -0.688 0.000 0.729 137 K HN 0.183 nan 8.250 nan 0.000 0.451 138 Y N 0.586 120.680 120.300 -0.344 0.000 2.184 138 Y HA -0.091 4.482 4.550 0.037 0.000 0.290 138 Y C 1.375 177.111 175.900 -0.273 0.000 1.129 138 Y CA 1.446 59.271 58.100 -0.458 0.000 1.144 138 Y CB -0.140 37.803 38.460 -0.863 0.000 0.995 138 Y HN -0.047 nan 8.280 nan 0.000 0.513 139 L N -0.933 120.157 121.223 -0.221 0.000 2.012 139 L HA -0.271 4.090 4.340 0.035 0.000 0.210 139 L C 2.421 179.184 176.870 -0.178 0.000 1.073 139 L CA 2.111 56.786 54.840 -0.275 0.000 0.748 139 L CB -1.232 40.756 42.059 -0.118 0.000 0.891 139 L HN 0.333 nan 8.230 nan 0.000 0.431 140 Y N 1.106 121.348 120.300 -0.096 0.000 2.128 140 Y HA -0.270 4.300 4.550 0.034 0.000 0.284 140 Y C 2.629 178.503 175.900 -0.043 0.000 1.154 140 Y CA 1.788 59.898 58.100 0.017 0.000 1.149 140 Y CB -0.103 38.535 38.460 0.297 0.000 0.976 140 Y HN 0.127 nan 8.280 nan 0.000 0.505 141 E N 0.186 120.303 120.200 -0.138 0.000 2.106 141 E HA -0.146 4.225 4.350 0.035 0.000 0.192 141 E C 2.275 178.738 176.600 -0.227 0.000 0.984 141 E CA 1.125 57.384 56.400 -0.234 0.000 0.806 141 E CB -0.159 29.491 29.700 -0.083 0.000 0.750 141 E HN 0.521 nan 8.360 nan 0.000 0.458 142 I N 1.056 121.436 120.570 -0.316 0.000 2.286 142 I HA -0.140 4.051 4.170 0.035 0.000 0.245 142 I C 2.419 178.440 176.117 -0.160 0.000 1.104 142 I CA 0.846 61.972 61.300 -0.289 0.000 1.397 142 I CB -1.496 36.087 38.000 -0.695 0.000 1.072 142 I HN -0.074 nan 8.210 nan 0.000 0.417 143 A N 1.200 123.862 122.820 -0.264 0.000 1.851 143 A HA -0.227 4.114 4.320 0.035 0.000 0.216 143 A C 2.459 179.986 177.584 -0.094 0.000 1.195 143 A CA 1.579 53.517 52.037 -0.165 0.000 0.622 143 A CB -0.756 18.129 19.000 -0.192 0.000 0.831 143 A HN 0.284 nan 8.150 nan 0.000 0.444 144 R N -0.784 119.600 120.500 -0.192 0.000 2.189 144 R HA -0.230 4.131 4.340 0.035 0.000 0.252 144 R C 2.192 178.435 176.300 -0.094 0.000 1.134 144 R CA 2.221 58.213 56.100 -0.181 0.000 0.954 144 R CB -0.361 29.733 30.300 -0.344 0.000 0.890 144 R HN 0.517 nan 8.270 nan 0.000 0.443 145 R N -0.955 119.506 120.500 -0.065 0.000 2.300 145 R HA 0.081 4.442 4.340 0.035 0.000 0.199 145 R C 0.198 176.333 176.300 -0.275 0.000 0.920 145 R CA 0.377 56.406 56.100 -0.118 0.000 1.046 145 R CB 0.415 30.674 30.300 -0.069 0.000 0.984 145 R HN 0.394 nan 8.270 nan 0.000 0.493 146 H N 0.632 119.726 119.070 0.040 0.000 2.429 146 H HA 0.152 4.728 4.556 0.034 0.000 0.231 146 H C -2.001 173.402 175.328 0.126 0.000 1.416 146 H CA -1.562 54.569 56.048 0.139 0.000 1.443 146 H CB 1.547 31.483 29.762 0.290 0.000 1.591 146 H HN -0.004 nan 8.280 nan 0.000 0.507 147 P HA -0.112 nan 4.420 nan 0.000 0.239 147 P C 0.270 177.415 177.300 -0.258 0.000 1.184 147 P CA 1.005 64.058 63.100 -0.079 0.000 0.760 147 P CB 0.060 31.653 31.700 -0.178 0.000 0.884 148 Y N -2.969 117.425 120.300 0.156 0.000 2.453 148 Y HA 0.284 4.854 4.550 0.033 0.000 0.247 148 Y C 1.005 177.023 175.900 0.197 0.000 1.124 148 Y CA -1.050 57.140 58.100 0.149 0.000 1.243 148 Y CB -0.478 38.033 38.460 0.086 0.000 1.213 148 Y HN -0.260 nan 8.280 nan 0.000 0.523 149 F N 1.855 121.922 119.950 0.195 0.000 2.500 149 F HA -0.200 4.347 4.527 0.033 0.000 0.409 149 F C 0.454 176.347 175.800 0.155 0.000 0.982 149 F CA -0.464 57.601 58.000 0.108 0.000 1.163 149 F CB -0.090 38.896 39.000 -0.024 0.000 0.942 149 F HN 0.080 nan 8.300 nan 0.000 0.535 150 Y N 7.171 127.655 120.300 0.308 0.000 2.828 150 Y HA 0.166 4.736 4.550 0.032 0.000 0.359 150 Y C 1.087 177.174 175.900 0.312 0.000 1.258 150 Y CA -0.428 57.838 58.100 0.277 0.000 1.652 150 Y CB -0.051 38.542 38.460 0.221 0.000 1.232 150 Y HN 0.717 nan 8.280 nan 0.000 0.513 151 A N 7.471 130.404 122.820 0.188 0.000 1.883 151 A HA -0.137 4.204 4.320 0.035 0.000 0.217 151 A C -0.284 177.234 177.584 -0.109 0.000 1.186 151 A CA 1.496 53.526 52.037 -0.012 0.000 0.624 151 A CB -1.585 17.388 19.000 -0.045 0.000 0.822 151 A HN 0.616 nan 8.150 nan 0.000 0.444 152 P HA -0.128 nan 4.420 nan 0.000 0.219 152 P C 1.192 178.427 177.300 -0.109 0.000 1.146 152 P CA 1.082 64.051 63.100 -0.218 0.000 0.808 152 P CB 0.001 31.491 31.700 -0.349 0.000 0.779 153 E N -0.765 119.363 120.200 -0.121 0.000 2.107 153 E HA -0.088 4.283 4.350 0.035 0.000 0.191 153 E C 1.826 178.645 176.600 0.365 0.000 0.982 153 E CA 0.618 57.164 56.400 0.243 0.000 0.809 153 E CB -0.855 29.081 29.700 0.393 0.000 0.756 153 E HN 0.164 nan 8.360 nan 0.000 0.459 154 L N 1.062 122.318 121.223 0.054 0.000 2.191 154 L HA -0.124 4.237 4.340 0.035 0.000 0.212 154 L C 2.051 178.894 176.870 -0.043 0.000 1.103 154 L CA 1.193 55.844 54.840 -0.315 0.000 0.769 154 L CB -0.453 41.164 42.059 -0.736 0.000 0.908 154 L HN 0.064 nan 8.230 nan 0.000 0.438 155 L N -2.117 119.134 121.223 0.046 0.000 2.044 155 L HA -0.196 4.165 4.340 0.035 0.000 0.205 155 L C 2.447 179.439 176.870 0.203 0.000 1.075 155 L CA 1.341 56.236 54.840 0.092 0.000 0.747 155 L CB -0.845 41.245 42.059 0.051 0.000 0.903 155 L HN 0.289 nan 8.230 nan 0.000 0.435 156 F N 0.741 120.782 119.950 0.151 0.000 2.154 156 F HA -0.284 4.263 4.527 0.034 0.000 0.301 156 F C 2.131 178.032 175.800 0.169 0.000 1.087 156 F CA 1.450 59.533 58.000 0.139 0.000 1.274 156 F CB -0.337 38.730 39.000 0.112 0.000 1.009 156 F HN -0.131 nan 8.300 nan 0.000 0.485 157 F N 0.772 120.713 119.950 -0.016 0.000 2.102 157 F HA -0.120 4.430 4.527 0.037 0.000 0.298 157 F C 2.679 178.529 175.800 0.082 0.000 1.105 157 F CA 1.403 59.404 58.000 0.003 0.000 1.239 157 F CB -1.534 37.585 39.000 0.197 0.000 0.991 157 F HN 0.087 nan 8.300 nan 0.000 0.474 158 A N -0.227 122.821 122.820 0.380 0.000 1.883 158 A HA -0.283 4.059 4.320 0.035 0.000 0.217 158 A C 2.276 179.943 177.584 0.137 0.000 1.186 158 A CA 2.103 54.326 52.037 0.310 0.000 0.624 158 A CB -0.886 18.259 19.000 0.241 0.000 0.822 158 A HN 0.364 nan 8.150 nan 0.000 0.444 159 K N -0.562 119.867 120.400 0.048 0.000 2.032 159 K HA -0.187 4.154 4.320 0.035 0.000 0.209 159 K C 2.334 178.905 176.600 -0.049 0.000 1.048 159 K CA 1.616 57.903 56.287 -0.001 0.000 0.927 159 K CB -0.212 32.258 32.500 -0.050 0.000 0.712 159 K HN 0.431 nan 8.250 nan 0.000 0.441 160 R N -0.757 119.631 120.500 -0.187 0.000 2.081 160 R HA -0.189 4.172 4.340 0.035 0.000 0.235 160 R C 2.369 178.625 176.300 -0.073 0.000 1.131 160 R CA 1.819 57.796 56.100 -0.204 0.000 0.960 160 R CB -0.514 29.545 30.300 -0.401 0.000 0.856 160 R HN 0.400 nan 8.270 nan 0.000 0.436 161 Y N 1.876 122.071 120.300 -0.176 0.000 2.224 161 Y HA -0.247 4.325 4.550 0.037 0.000 0.289 161 Y C 2.489 178.390 175.900 0.002 0.000 1.146 161 Y CA 1.606 59.584 58.100 -0.204 0.000 1.182 161 Y CB 0.013 38.034 38.460 -0.733 0.000 0.983 161 Y HN -0.117 nan 8.280 nan 0.000 0.524 162 K N 0.267 120.812 120.400 0.242 0.000 2.057 162 K HA -0.204 4.137 4.320 0.035 0.000 0.207 162 K C 2.185 178.871 176.600 0.144 0.000 1.049 162 K CA 1.272 57.736 56.287 0.294 0.000 0.931 162 K CB -0.396 32.262 32.500 0.264 0.000 0.714 162 K HN 0.416 nan 8.250 nan 0.000 0.440 163 A N 0.992 123.839 122.820 0.045 0.000 1.930 163 A HA -0.063 4.278 4.320 0.035 0.000 0.217 163 A C 2.293 179.819 177.584 -0.096 0.000 1.175 163 A CA 1.729 53.758 52.037 -0.013 0.000 0.627 163 A CB -0.610 18.366 19.000 -0.039 0.000 0.815 163 A HN 0.475 nan 8.150 nan 0.000 0.443 164 A N -0.954 121.773 122.820 -0.155 0.000 1.877 164 A HA -0.049 4.293 4.320 0.035 0.000 0.216 164 A C 1.968 179.310 177.584 -0.402 0.000 1.186 164 A CA 1.559 53.429 52.037 -0.278 0.000 0.620 164 A CB -0.812 17.977 19.000 -0.353 0.000 0.822 164 A HN 0.469 nan 8.150 nan 0.000 0.443 165 F N 0.701 120.326 119.950 -0.540 0.000 2.216 165 F HA -0.125 4.423 4.527 0.035 0.000 0.300 165 F C 2.680 177.981 175.800 -0.832 0.000 1.085 165 F CA 1.865 59.376 58.000 -0.816 0.000 1.326 165 F CB -0.422 37.814 39.000 -1.273 0.000 1.027 165 F HN 0.170 nan 8.300 nan 0.000 0.497 166 T N -1.231 113.082 114.554 -0.402 0.000 2.942 166 T HA -0.162 4.209 4.350 0.035 0.000 0.265 166 T C 1.732 176.380 174.700 -0.086 0.000 1.062 166 T CA 1.311 63.349 62.100 -0.104 0.000 1.139 166 T CB -0.180 68.766 68.868 0.130 0.000 0.883 166 T HN 0.305 nan 8.240 nan 0.000 0.468 167 E N 0.329 120.451 120.200 -0.130 0.000 2.016 167 E HA -0.100 4.271 4.350 0.035 0.000 0.190 167 E C 1.962 178.473 176.600 -0.149 0.000 0.985 167 E CA 1.268 57.599 56.400 -0.115 0.000 0.802 167 E CB -0.305 29.324 29.700 -0.118 0.000 0.762 167 E HN 0.416 nan 8.360 nan 0.000 0.448 168 c N 0.211 118.673 118.600 -0.230 0.000 2.456 168 c HA 0.042 4.634 4.570 0.035 0.000 0.279 168 c C 2.644 176.602 174.090 -0.219 0.000 1.427 168 c CA -0.050 56.133 56.329 -0.243 0.000 1.778 168 c CB -1.027 41.276 42.510 -0.345 0.000 1.842 168 c HN 0.652 nan 8.230 nan 0.000 0.531 169 c N 0.038 118.509 118.600 -0.215 0.000 2.475 169 c HA -0.061 4.530 4.570 0.035 0.000 0.279 169 c C 2.712 176.734 174.090 -0.113 0.000 1.322 169 c CA 0.657 56.892 56.329 -0.156 0.000 1.734 169 c CB -1.069 41.362 42.510 -0.131 0.000 2.005 169 c HN 0.594 nan 8.230 nan 0.000 0.495 170 Q N 1.172 120.916 119.800 -0.093 0.000 2.369 170 Q HA 0.147 4.508 4.340 0.035 0.000 0.206 170 Q C 1.118 177.078 176.000 -0.066 0.000 0.963 170 Q CA 0.613 56.377 55.803 -0.066 0.000 0.894 170 Q CB -0.470 28.248 28.738 -0.034 0.000 0.965 170 Q HN 0.696 nan 8.270 nan 0.000 0.475 171 A N 0.648 123.419 122.820 -0.081 0.000 2.386 171 A HA 0.423 4.764 4.320 0.035 0.000 0.248 171 A C 1.376 178.921 177.584 -0.066 0.000 1.082 171 A CA 0.517 52.510 52.037 -0.073 0.000 0.789 171 A CB 0.371 19.318 19.000 -0.088 0.000 1.025 171 A HN 0.260 nan 8.150 nan 0.000 0.490 172 A N 0.937 123.725 122.820 -0.054 0.000 1.849 172 A HA -0.110 4.231 4.320 0.035 0.000 0.217 172 A C 1.127 178.681 177.584 -0.051 0.000 1.202 172 A CA 1.914 53.923 52.037 -0.047 0.000 0.629 172 A CB -0.493 18.485 19.000 -0.038 0.000 0.834 172 A HN 0.809 nan 8.150 nan 0.000 0.447 173 D N -0.581 119.787 120.400 -0.054 0.000 2.380 173 D HA 0.298 4.959 4.640 0.035 0.000 0.230 173 D C 0.619 176.873 176.300 -0.078 0.000 1.154 173 D CA -0.097 53.868 54.000 -0.058 0.000 0.859 173 D CB 0.954 41.724 40.800 -0.050 0.000 1.045 173 D HN 0.307 nan 8.370 nan 0.000 0.495 174 K N 2.132 122.481 120.400 -0.084 0.000 2.217 174 K HA -0.028 4.313 4.320 0.035 0.000 0.202 174 K C 1.687 178.206 176.600 -0.135 0.000 1.051 174 K CA 0.884 57.101 56.287 -0.116 0.000 0.952 174 K CB 0.291 32.727 32.500 -0.107 0.000 0.736 174 K HN 0.341 nan 8.250 nan 0.000 0.453 175 A N 1.286 124.045 122.820 -0.101 0.000 1.903 175 A HA 0.113 4.454 4.320 0.035 0.000 0.213 175 A C 2.325 179.851 177.584 -0.096 0.000 1.185 175 A CA 1.161 53.140 52.037 -0.097 0.000 0.628 175 A CB -0.495 18.468 19.000 -0.062 0.000 0.830 175 A HN 0.252 nan 8.150 nan 0.000 0.446 176 A N -1.229 121.543 122.820 -0.080 0.000 2.067 176 A HA -0.119 4.222 4.320 0.035 0.000 0.219 176 A C 2.246 179.778 177.584 -0.087 0.000 1.158 176 A CA 1.518 53.513 52.037 -0.070 0.000 0.661 176 A CB -1.122 17.845 19.000 -0.054 0.000 0.801 176 A HN 0.688 nan 8.150 nan 0.000 0.452 177 c N -1.430 117.103 118.600 -0.112 0.000 2.543 177 c HA 0.113 4.705 4.570 0.035 0.000 0.281 177 c C 2.413 176.394 174.090 -0.180 0.000 1.276 177 c CA 1.125 57.373 56.329 -0.135 0.000 1.700 177 c CB -1.154 41.268 42.510 -0.148 0.000 2.093 177 c HN 0.573 nan 8.230 nan 0.000 0.488 178 L N 0.832 121.913 121.223 -0.236 0.000 2.072 178 L HA 0.047 4.408 4.340 0.035 0.000 0.205 178 L C 2.378 179.092 176.870 -0.259 0.000 1.079 178 L CA 1.835 56.466 54.840 -0.347 0.000 0.752 178 L CB -0.628 41.141 42.059 -0.483 0.000 0.906 178 L HN 0.371 nan 8.230 nan 0.000 0.436 179 L N 0.150 121.271 121.223 -0.170 0.000 2.046 179 L HA -0.120 4.242 4.340 0.035 0.000 0.208 179 L C -0.175 176.651 176.870 -0.074 0.000 1.077 179 L CA 1.367 56.145 54.840 -0.103 0.000 0.747 179 L CB -2.325 39.697 42.059 -0.063 0.000 0.896 179 L HN 0.313 nan 8.230 nan 0.000 0.432 180 P HA -0.158 nan 4.420 nan 0.000 0.216 180 P C 1.432 178.699 177.300 -0.055 0.000 1.153 180 P CA 1.374 64.444 63.100 -0.050 0.000 0.844 180 P CB 0.026 31.697 31.700 -0.049 0.000 0.787 181 K N -0.268 120.074 120.400 -0.096 0.000 2.044 181 K HA -0.123 4.218 4.320 0.035 0.000 0.210 181 K C 2.336 178.891 176.600 -0.075 0.000 1.049 181 K CA 1.347 57.571 56.287 -0.104 0.000 0.927 181 K CB -0.761 31.638 32.500 -0.169 0.000 0.713 181 K HN 0.083 nan 8.250 nan 0.000 0.443 182 L N 0.905 122.073 121.223 -0.091 0.000 1.989 182 L HA -0.267 4.094 4.340 0.035 0.000 0.211 182 L C 1.904 178.818 176.870 0.072 0.000 1.071 182 L CA 1.379 56.217 54.840 -0.004 0.000 0.749 182 L CB -0.619 41.438 42.059 -0.004 0.000 0.890 182 L HN 0.262 nan 8.230 nan 0.000 0.431 183 D N -0.342 120.086 120.400 0.047 0.000 2.182 183 D HA -0.231 4.430 4.640 0.035 0.000 0.201 183 D C 1.985 178.332 176.300 0.079 0.000 0.986 183 D CA 1.150 55.192 54.000 0.071 0.000 0.847 183 D CB -0.116 40.713 40.800 0.047 0.000 0.942 183 D HN 0.410 nan 8.370 nan 0.000 0.467 184 E N 0.335 120.566 120.200 0.051 0.000 2.077 184 E HA -0.142 4.229 4.350 0.035 0.000 0.193 184 E C 2.204 178.855 176.600 0.085 0.000 0.989 184 E CA 0.558 56.989 56.400 0.052 0.000 0.800 184 E CB -0.048 29.663 29.700 0.017 0.000 0.746 184 E HN 0.223 nan 8.360 nan 0.000 0.452 185 L N 0.338 121.621 121.223 0.101 0.000 2.027 185 L HA -0.164 4.197 4.340 0.035 0.000 0.206 185 L C 2.961 180.018 176.870 0.313 0.000 1.074 185 L CA 1.329 56.276 54.840 0.178 0.000 0.745 185 L CB -0.583 41.616 42.059 0.233 0.000 0.898 185 L HN 0.206 nan 8.230 nan 0.000 0.433 186 R N 0.475 121.137 120.500 0.271 0.000 2.122 186 R HA -0.236 4.125 4.340 0.035 0.000 0.236 186 R C 1.955 178.396 176.300 0.235 0.000 1.129 186 R CA 2.485 58.741 56.100 0.259 0.000 0.925 186 R CB -0.332 30.088 30.300 0.200 0.000 0.850 186 R HN 0.344 nan 8.270 nan 0.000 0.431 187 D N 0.063 120.573 120.400 0.183 0.000 2.106 187 D HA -0.216 4.445 4.640 0.035 0.000 0.191 187 D C 1.776 178.192 176.300 0.194 0.000 0.997 187 D CA 1.552 55.648 54.000 0.159 0.000 0.834 187 D CB -0.428 40.443 40.800 0.117 0.000 0.956 187 D HN 0.438 nan 8.370 nan 0.000 0.448 188 E N -0.016 120.316 120.200 0.221 0.000 2.209 188 E HA -0.119 4.252 4.350 0.035 0.000 0.196 188 E C 2.066 178.957 176.600 0.484 0.000 0.993 188 E CA 1.235 57.797 56.400 0.271 0.000 0.819 188 E CB -0.225 29.569 29.700 0.157 0.000 0.745 188 E HN 0.309 nan 8.360 nan 0.000 0.477 189 G N 0.445 109.591 108.800 0.577 0.000 2.408 189 G HA2 -0.194 3.787 3.960 0.035 0.000 0.215 189 G HA3 -0.194 3.787 3.960 0.035 0.000 0.215 189 G C 1.418 176.364 174.900 0.076 0.000 1.156 189 G CA 0.369 45.741 45.100 0.454 0.000 0.793 189 G HN 0.115 nan 8.290 nan 0.000 0.535 190 K N 0.536 121.011 120.400 0.125 0.000 2.097 190 K HA 0.074 4.415 4.320 0.035 0.000 0.205 190 K C 2.921 179.559 176.600 0.064 0.000 1.050 190 K CA 0.885 57.229 56.287 0.094 0.000 0.938 190 K CB -0.163 32.423 32.500 0.143 0.000 0.718 190 K HN 0.248 nan 8.250 nan 0.000 0.442 191 A N 0.843 123.723 122.820 0.099 0.000 1.902 191 A HA -0.187 4.154 4.320 0.035 0.000 0.217 191 A C 2.245 179.849 177.584 0.032 0.000 1.181 191 A CA 2.019 54.114 52.037 0.097 0.000 0.623 191 A CB -0.606 18.469 19.000 0.126 0.000 0.818 191 A HN 0.240 nan 8.150 nan 0.000 0.443 192 S N -0.817 114.883 115.700 -0.001 0.000 2.345 192 S HA -0.144 4.347 4.470 0.035 0.000 0.220 192 S C 2.404 176.797 174.600 -0.344 0.000 1.031 192 S CA 1.774 59.907 58.200 -0.111 0.000 0.996 192 S CB -0.506 62.645 63.200 -0.082 0.000 0.882 192 S HN 0.714 nan 8.310 nan 0.000 0.445 193 S N 1.267 116.620 115.700 -0.578 0.000 2.369 193 S HA -0.178 4.313 4.470 0.035 0.000 0.225 193 S C 2.073 176.581 174.600 -0.154 0.000 1.043 193 S CA 1.949 59.883 58.200 -0.443 0.000 1.074 193 S CB -1.039 62.058 63.200 -0.172 0.000 0.962 193 S HN 0.665 nan 8.310 nan 0.000 0.433 194 A N 1.546 124.317 122.820 -0.081 0.000 1.859 194 A HA -0.193 4.149 4.320 0.035 0.000 0.217 194 A C 2.136 179.662 177.584 -0.096 0.000 1.198 194 A CA 2.160 54.161 52.037 -0.059 0.000 0.629 194 A CB -0.991 17.998 19.000 -0.019 0.000 0.830 194 A HN 0.703 nan 8.150 nan 0.000 0.446 195 K N -1.146 119.204 120.400 -0.084 0.000 2.127 195 K HA -0.261 4.080 4.320 0.035 0.000 0.208 195 K C 2.348 178.844 176.600 -0.172 0.000 1.047 195 K CA 1.872 58.091 56.287 -0.114 0.000 0.927 195 K CB -0.149 32.312 32.500 -0.066 0.000 0.716 195 K HN 0.525 nan 8.250 nan 0.000 0.450 196 Q N 0.839 120.547 119.800 -0.154 0.000 2.172 196 Q HA -0.107 4.255 4.340 0.035 0.000 0.200 196 Q C 1.911 177.838 176.000 -0.122 0.000 0.964 196 Q CA 1.350 57.062 55.803 -0.152 0.000 0.855 196 Q CB -0.002 28.690 28.738 -0.077 0.000 0.918 196 Q HN 0.055 nan 8.270 nan 0.000 0.444 197 R N -0.161 120.268 120.500 -0.118 0.000 2.096 197 R HA -0.027 4.334 4.340 0.035 0.000 0.235 197 R C 2.053 178.234 176.300 -0.198 0.000 1.127 197 R CA 1.184 57.182 56.100 -0.171 0.000 0.968 197 R CB -0.778 29.422 30.300 -0.166 0.000 0.861 197 R HN 0.442 nan 8.270 nan 0.000 0.440 198 L N 0.307 121.409 121.223 -0.202 0.000 2.079 198 L HA -0.257 4.104 4.340 0.035 0.000 0.210 198 L C 1.792 178.514 176.870 -0.245 0.000 1.081 198 L CA 1.810 56.502 54.840 -0.246 0.000 0.752 198 L CB -0.185 41.672 42.059 -0.336 0.000 0.896 198 L HN 0.267 nan 8.230 nan 0.000 0.433 199 K N -1.201 119.061 120.400 -0.230 0.000 2.031 199 K HA -0.137 4.204 4.320 0.035 0.000 0.205 199 K C 2.065 178.631 176.600 -0.057 0.000 1.049 199 K CA 1.565 57.772 56.287 -0.133 0.000 0.939 199 K CB -0.212 32.144 32.500 -0.240 0.000 0.717 199 K HN 0.422 nan 8.250 nan 0.000 0.438 200 c N 0.792 119.348 118.600 -0.073 0.000 2.440 200 c HA -0.046 4.546 4.570 0.035 0.000 0.278 200 c C 2.874 176.944 174.090 -0.034 0.000 1.295 200 c CA 0.641 56.957 56.329 -0.021 0.000 1.738 200 c CB -0.926 41.603 42.510 0.031 0.000 1.987 200 c HN 0.533 nan 8.230 nan 0.000 0.492 201 A N 1.264 124.036 122.820 -0.081 0.000 1.849 201 A HA -0.206 4.135 4.320 0.035 0.000 0.217 201 A C 2.269 179.927 177.584 0.123 0.000 1.202 201 A CA 2.622 54.651 52.037 -0.013 0.000 0.629 201 A CB -1.130 17.851 19.000 -0.030 0.000 0.834 201 A HN 0.562 nan 8.150 nan 0.000 0.447 202 S N 0.025 115.795 115.700 0.117 0.000 2.365 202 S HA -0.181 4.310 4.470 0.035 0.000 0.225 202 S C 1.858 176.614 174.600 0.261 0.000 1.039 202 S CA 1.733 60.080 58.200 0.244 0.000 1.033 202 S CB -0.592 62.685 63.200 0.129 0.000 0.887 202 S HN 0.461 nan 8.310 nan 0.000 0.447 203 L N 0.816 122.124 121.223 0.142 0.000 2.056 203 L HA -0.132 4.229 4.340 0.035 0.000 0.207 203 L C 2.500 179.407 176.870 0.063 0.000 1.078 203 L CA 1.289 56.172 54.840 0.072 0.000 0.749 203 L CB -0.392 41.629 42.059 -0.064 0.000 0.901 203 L HN 0.340 nan 8.230 nan 0.000 0.433 204 Q N -1.032 118.798 119.800 0.050 0.000 2.392 204 Q HA -0.008 4.353 4.340 0.035 0.000 0.203 204 Q C 1.534 177.511 176.000 -0.039 0.000 0.917 204 Q CA 0.370 56.188 55.803 0.025 0.000 0.939 204 Q CB 0.486 29.251 28.738 0.046 0.000 1.063 204 Q HN 0.284 nan 8.270 nan 0.000 0.516 205 K N -0.747 119.599 120.400 -0.091 0.000 2.380 205 K HA 0.146 4.487 4.320 0.035 0.000 0.200 205 K C 0.730 176.999 176.600 -0.552 0.000 1.201 205 K CA 0.609 56.669 56.287 -0.378 0.000 0.916 205 K CB 0.388 32.526 32.500 -0.602 0.000 1.187 205 K HN 0.098 nan 8.250 nan 0.000 0.498 206 F N 1.381 121.360 119.950 0.048 0.000 2.639 206 F HA 0.345 4.895 4.527 0.039 0.000 0.302 206 F C 0.978 176.823 175.800 0.075 0.000 1.097 206 F CA 0.011 58.049 58.000 0.063 0.000 1.294 206 F CB 0.265 39.312 39.000 0.079 0.000 1.027 206 F HN 0.126 nan 8.300 nan 0.000 0.550 207 G N 1.597 110.494 108.800 0.162 0.000 2.846 207 G HA2 -0.282 3.699 3.960 0.035 0.000 0.660 207 G HA3 -0.282 3.699 3.960 0.035 0.000 0.660 207 G C 0.843 175.849 174.900 0.177 0.000 1.464 207 G CA 0.058 45.237 45.100 0.131 0.000 0.891 207 G HN 0.490 nan 8.290 nan 0.000 0.552 208 E N 0.116 120.400 120.200 0.140 0.000 2.072 208 E HA -0.085 4.286 4.350 0.035 0.000 0.190 208 E C 2.311 179.057 176.600 0.243 0.000 0.982 208 E CA 0.949 57.457 56.400 0.181 0.000 0.803 208 E CB -0.043 29.722 29.700 0.107 0.000 0.755 208 E HN 0.590 nan 8.360 nan 0.000 0.453 209 R N 0.663 121.271 120.500 0.180 0.000 2.153 209 R HA -0.206 4.155 4.340 0.035 0.000 0.252 209 R C 2.391 178.805 176.300 0.189 0.000 1.158 209 R CA 1.793 57.993 56.100 0.168 0.000 0.975 209 R CB -0.423 29.955 30.300 0.129 0.000 0.871 209 R HN 0.371 nan 8.270 nan 0.000 0.450 210 A N -0.054 122.899 122.820 0.220 0.000 1.898 210 A HA -0.135 4.206 4.320 0.035 0.000 0.214 210 A C 1.897 179.654 177.584 0.289 0.000 1.183 210 A CA 0.777 52.953 52.037 0.232 0.000 0.622 210 A CB -0.541 18.612 19.000 0.256 0.000 0.824 210 A HN 0.390 nan 8.150 nan 0.000 0.444 211 F N 0.947 120.992 119.950 0.159 0.000 2.102 211 F HA -0.168 4.385 4.527 0.043 0.000 0.298 211 F C 2.193 178.096 175.800 0.171 0.000 1.105 211 F CA 2.192 60.273 58.000 0.136 0.000 1.239 211 F CB -0.136 38.909 39.000 0.074 0.000 0.991 211 F HN 0.074 nan 8.300 nan 0.000 0.474 212 K N 0.286 120.891 120.400 0.341 0.000 2.074 212 K HA -0.241 4.100 4.320 0.035 0.000 0.209 212 K C 2.277 178.947 176.600 0.117 0.000 1.048 212 K CA 1.416 57.834 56.287 0.220 0.000 0.926 212 K CB -0.703 31.932 32.500 0.225 0.000 0.713 212 K HN 0.412 nan 8.250 nan 0.000 0.444 213 A N 0.950 123.846 122.820 0.126 0.000 1.940 213 A HA -0.197 4.144 4.320 0.035 0.000 0.219 213 A C 1.884 179.484 177.584 0.028 0.000 1.176 213 A CA 1.130 53.212 52.037 0.076 0.000 0.631 213 A CB -0.688 18.350 19.000 0.062 0.000 0.814 213 A HN 0.533 nan 8.150 nan 0.000 0.446 214 W N 0.249 121.459 121.300 -0.150 0.000 2.443 214 W HA 0.010 4.692 4.660 0.037 0.000 0.296 214 W C 2.521 178.895 176.519 -0.241 0.000 1.202 214 W CA 1.433 58.651 57.345 -0.212 0.000 1.312 214 W CB -0.438 28.848 29.460 -0.289 0.000 1.120 214 W HN 0.420 nan 8.180 nan 0.000 0.536 215 A N 0.090 122.880 122.820 -0.049 0.000 1.855 215 A HA -0.178 4.163 4.320 0.035 0.000 0.215 215 A C 2.083 179.684 177.584 0.028 0.000 1.191 215 A CA 1.971 53.963 52.037 -0.075 0.000 0.613 215 A CB -1.426 17.467 19.000 -0.178 0.000 0.829 215 A HN 0.031 nan 8.150 nan 0.000 0.442 216 V N -0.028 119.921 119.914 0.058 0.000 2.370 216 V HA -0.293 3.848 4.120 0.035 0.000 0.252 216 V C 2.831 178.985 176.094 0.100 0.000 1.068 216 V CA 2.459 64.831 62.300 0.120 0.000 1.061 216 V CB -0.791 31.132 31.823 0.167 0.000 0.656 216 V HN 0.622 nan 8.190 nan 0.000 0.455 217 A N -0.614 122.219 122.820 0.021 0.000 1.898 217 A HA -0.190 4.151 4.320 0.035 0.000 0.216 217 A C 2.241 179.803 177.584 -0.036 0.000 1.181 217 A CA 1.871 53.884 52.037 -0.040 0.000 0.620 217 A CB -0.525 18.379 19.000 -0.159 0.000 0.819 217 A HN 0.531 nan 8.150 nan 0.000 0.442 218 R N -0.076 120.414 120.500 -0.017 0.000 2.057 218 R HA 0.097 4.458 4.340 0.035 0.000 0.229 218 R C 1.998 178.263 176.300 -0.058 0.000 1.136 218 R CA 1.374 57.464 56.100 -0.016 0.000 0.952 218 R CB -0.630 29.699 30.300 0.048 0.000 0.848 218 R HN 0.489 nan 8.270 nan 0.000 0.430 219 L N -0.114 121.100 121.223 -0.016 0.000 2.083 219 L HA -0.152 4.209 4.340 0.035 0.000 0.209 219 L C 2.175 179.046 176.870 0.001 0.000 1.083 219 L CA 1.557 56.378 54.840 -0.031 0.000 0.752 219 L CB -0.469 41.692 42.059 0.170 0.000 0.899 219 L HN 0.219 nan 8.230 nan 0.000 0.433 220 S N -0.837 114.917 115.700 0.090 0.000 2.406 220 S HA -0.166 4.325 4.470 0.035 0.000 0.228 220 S C 1.913 176.500 174.600 -0.023 0.000 1.020 220 S CA 0.883 59.147 58.200 0.106 0.000 0.965 220 S CB -0.084 63.195 63.200 0.131 0.000 0.798 220 S HN 0.432 nan 8.310 nan 0.000 0.488 221 Q N 0.595 120.357 119.800 -0.064 0.000 2.050 221 Q HA -0.015 4.347 4.340 0.035 0.000 0.202 221 Q C 2.447 178.373 176.000 -0.123 0.000 0.980 221 Q CA 0.968 56.718 55.803 -0.089 0.000 0.840 221 Q CB -0.055 28.637 28.738 -0.077 0.000 0.898 221 Q HN 0.315 nan 8.270 nan 0.000 0.424 222 R N -0.319 120.045 120.500 -0.225 0.000 2.073 222 R HA -0.037 4.324 4.340 0.035 0.000 0.229 222 R C 0.422 176.553 176.300 -0.281 0.000 1.120 222 R CA 0.853 56.721 56.100 -0.387 0.000 0.967 222 R CB 0.126 29.971 30.300 -0.758 0.000 0.862 222 R HN 0.167 nan 8.270 nan 0.000 0.436 223 F N 1.319 121.289 119.950 0.033 0.000 2.701 223 F HA 0.303 4.850 4.527 0.034 0.000 0.315 223 F C -1.474 174.355 175.800 0.049 0.000 1.277 223 F CA -3.169 54.860 58.000 0.048 0.000 1.180 223 F CB 0.609 39.655 39.000 0.078 0.000 1.273 223 F HN -0.065 nan 8.300 nan 0.000 0.532 224 P HA -0.216 nan 4.420 nan 0.000 0.215 224 P C 1.221 178.571 177.300 0.083 0.000 1.153 224 P CA 1.641 64.764 63.100 0.037 0.000 0.853 224 P CB 0.336 32.018 31.700 -0.031 0.000 0.788 225 K N -0.169 120.294 120.400 0.105 0.000 2.280 225 K HA 0.047 4.388 4.320 0.035 0.000 0.202 225 K C 1.335 178.019 176.600 0.139 0.000 1.047 225 K CA 0.413 56.758 56.287 0.097 0.000 0.942 225 K CB -0.476 32.066 32.500 0.069 0.000 0.739 225 K HN 0.124 nan 8.250 nan 0.000 0.457 226 A N 2.337 125.267 122.820 0.183 0.000 2.466 226 A HA -0.015 4.326 4.320 0.035 0.000 0.238 226 A C 0.509 178.262 177.584 0.282 0.000 1.074 226 A CA -0.138 52.007 52.037 0.181 0.000 0.774 226 A CB 0.285 19.390 19.000 0.175 0.000 1.015 226 A HN 0.086 nan 8.150 nan 0.000 0.498 227 E N -0.144 120.160 120.200 0.174 0.000 2.451 227 E HA 0.037 4.408 4.350 0.035 0.000 0.256 227 E C 0.741 177.310 176.600 -0.051 0.000 1.294 227 E CA 0.045 56.528 56.400 0.138 0.000 1.005 227 E CB 0.061 29.792 29.700 0.053 0.000 0.990 227 E HN 0.655 nan 8.360 nan 0.000 0.505 228 F N 1.034 120.643 119.950 -0.569 0.000 2.149 228 F HA 0.001 4.549 4.527 0.035 0.000 0.294 228 F C 1.920 177.517 175.800 -0.338 0.000 1.095 228 F CA 1.675 59.105 58.000 -0.951 0.000 1.276 228 F CB -0.478 37.976 39.000 -0.910 0.000 1.023 228 F HN 0.437 nan 8.300 nan 0.000 0.480 229 A N -0.028 122.532 122.820 -0.433 0.000 1.972 229 A HA -0.222 4.119 4.320 0.035 0.000 0.219 229 A C 2.048 179.454 177.584 -0.296 0.000 1.169 229 A CA 1.855 53.643 52.037 -0.416 0.000 0.635 229 A CB -0.923 17.996 19.000 -0.136 0.000 0.810 229 A HN 0.480 nan 8.150 nan 0.000 0.446 230 E N -0.300 119.798 120.200 -0.169 0.000 2.274 230 E HA -0.061 4.310 4.350 0.035 0.000 0.194 230 E C 1.654 178.219 176.600 -0.058 0.000 0.996 230 E CA 1.225 57.587 56.400 -0.063 0.000 0.840 230 E CB -0.192 29.512 29.700 0.006 0.000 0.772 230 E HN 0.290 nan 8.360 nan 0.000 0.491 231 V N -0.514 119.330 119.914 -0.116 0.000 2.446 231 V HA -0.107 4.034 4.120 0.035 0.000 0.244 231 V C 2.286 178.322 176.094 -0.097 0.000 1.039 231 V CA 1.449 63.744 62.300 -0.008 0.000 1.045 231 V CB -0.450 31.453 31.823 0.133 0.000 0.681 231 V HN 0.216 nan 8.190 nan 0.000 0.459 232 S N -0.421 115.077 115.700 -0.337 0.000 2.370 232 S HA -0.252 4.240 4.470 0.035 0.000 0.226 232 S C 2.144 176.655 174.600 -0.149 0.000 1.033 232 S CA 1.739 59.765 58.200 -0.290 0.000 1.011 232 S CB -0.303 62.576 63.200 -0.535 0.000 0.852 232 S HN 0.459 nan 8.310 nan 0.000 0.457 233 K N 1.088 121.389 120.400 -0.164 0.000 2.009 233 K HA -0.104 4.237 4.320 0.035 0.000 0.210 233 K C 2.068 178.602 176.600 -0.111 0.000 1.049 233 K CA 1.398 57.603 56.287 -0.136 0.000 0.929 233 K CB -0.595 31.814 32.500 -0.152 0.000 0.714 233 K HN 0.362 nan 8.250 nan 0.000 0.440 234 L N 0.678 121.865 121.223 -0.060 0.000 2.012 234 L HA -0.198 4.163 4.340 0.035 0.000 0.210 234 L C 2.620 179.529 176.870 0.066 0.000 1.073 234 L CA 0.964 55.811 54.840 0.012 0.000 0.748 234 L CB -0.557 41.570 42.059 0.113 0.000 0.891 234 L HN -0.007 nan 8.230 nan 0.000 0.431 235 V N -0.462 119.495 119.914 0.073 0.000 2.255 235 V HA -0.343 3.798 4.120 0.035 0.000 0.247 235 V C 2.611 178.791 176.094 0.143 0.000 1.051 235 V CA 2.490 64.863 62.300 0.122 0.000 1.018 235 V CB -0.664 31.220 31.823 0.102 0.000 0.641 235 V HN 0.474 nan 8.190 nan 0.000 0.445 236 T N -0.395 114.203 114.554 0.073 0.000 2.635 236 T HA -0.246 4.125 4.350 0.035 0.000 0.267 236 T C 1.642 176.379 174.700 0.062 0.000 1.040 236 T CA 2.029 64.168 62.100 0.064 0.000 1.156 236 T CB -0.451 68.422 68.868 0.009 0.000 0.863 236 T HN 0.525 nan 8.240 nan 0.000 0.430 237 D N 0.602 121.016 120.400 0.022 0.000 2.104 237 D HA -0.057 4.604 4.640 0.035 0.000 0.194 237 D C 2.036 178.375 176.300 0.065 0.000 0.994 237 D CA 0.621 54.626 54.000 0.009 0.000 0.830 237 D CB -0.609 40.161 40.800 -0.050 0.000 0.959 237 D HN 0.181 nan 8.370 nan 0.000 0.452 238 L N 0.782 122.086 121.223 0.136 0.000 1.990 238 L HA -0.205 4.156 4.340 0.035 0.000 0.213 238 L C 2.298 179.331 176.870 0.270 0.000 1.072 238 L CA 1.759 56.740 54.840 0.235 0.000 0.755 238 L CB -0.893 41.374 42.059 0.346 0.000 0.889 238 L HN 0.027 nan 8.230 nan 0.000 0.432 239 T N -0.850 113.890 114.554 0.310 0.000 2.699 239 T HA -0.291 4.081 4.350 0.035 0.000 0.268 239 T C 1.923 176.589 174.700 -0.057 0.000 1.036 239 T CA 1.820 63.985 62.100 0.108 0.000 1.147 239 T CB -0.279 68.698 68.868 0.182 0.000 0.862 239 T HN 0.310 nan 8.240 nan 0.000 0.446 240 K N 0.591 120.993 120.400 0.003 0.000 2.148 240 K HA -0.055 4.286 4.320 0.035 0.000 0.204 240 K C 2.235 178.820 176.600 -0.024 0.000 1.050 240 K CA 0.811 57.088 56.287 -0.017 0.000 0.942 240 K CB -0.229 32.269 32.500 -0.003 0.000 0.724 240 K HN 0.169 nan 8.250 nan 0.000 0.446 241 V N 0.969 120.867 119.914 -0.026 0.000 2.244 241 V HA -0.232 3.909 4.120 0.035 0.000 0.244 241 V C 2.301 178.343 176.094 -0.086 0.000 1.042 241 V CA 1.718 63.986 62.300 -0.054 0.000 1.006 241 V CB -0.512 31.262 31.823 -0.080 0.000 0.641 241 V HN 0.429 nan 8.190 nan 0.000 0.446 242 H N -0.118 118.926 119.070 -0.044 0.000 2.357 242 H HA -0.109 4.466 4.556 0.033 0.000 0.301 242 H C 2.468 177.702 175.328 -0.157 0.000 1.082 242 H CA 1.922 57.879 56.048 -0.152 0.000 1.342 242 H CB -0.634 28.917 29.762 -0.352 0.000 1.389 242 H HN 0.398 nan 8.280 nan 0.000 0.511 243 T N 1.077 115.564 114.554 -0.112 0.000 2.624 243 T HA -0.195 4.176 4.350 0.035 0.000 0.268 243 T C 1.917 176.650 174.700 0.056 0.000 1.041 243 T CA 1.843 63.908 62.100 -0.059 0.000 1.159 243 T CB -0.155 68.663 68.868 -0.082 0.000 0.863 243 T HN 0.508 nan 8.240 nan 0.000 0.434 244 E N -0.410 119.821 120.200 0.052 0.000 2.072 244 E HA -0.076 4.295 4.350 0.035 0.000 0.191 244 E C 2.538 179.232 176.600 0.156 0.000 0.985 244 E CA 0.885 57.348 56.400 0.105 0.000 0.801 244 E CB -0.213 29.518 29.700 0.053 0.000 0.750 244 E HN 0.415 nan 8.360 nan 0.000 0.452 245 c N 0.180 118.870 118.600 0.150 0.000 2.446 245 c HA -0.126 4.465 4.570 0.035 0.000 0.277 245 c C 2.648 176.869 174.090 0.219 0.000 1.275 245 c CA 0.414 56.864 56.329 0.201 0.000 1.727 245 c CB -0.571 42.132 42.510 0.320 0.000 2.010 245 c HN 0.578 nan 8.230 nan 0.000 0.486 246 c N -0.844 117.884 118.600 0.214 0.000 2.539 246 c HA -0.026 4.565 4.570 0.035 0.000 0.271 246 c C 2.139 176.387 174.090 0.264 0.000 1.412 246 c CA 0.487 56.958 56.329 0.237 0.000 1.729 246 c CB -2.164 40.450 42.510 0.172 0.000 1.739 246 c HN 0.727 nan 8.230 nan 0.000 0.570 247 H N -0.534 118.629 119.070 0.155 0.000 2.755 247 H HA 0.199 4.743 4.556 -0.019 0.000 0.273 247 H C 1.692 177.174 175.328 0.256 0.000 1.055 247 H CA 0.965 57.119 56.048 0.177 0.000 1.191 247 H CB 0.341 30.193 29.762 0.150 0.000 1.536 247 H HN 0.418 nan 8.280 nan 0.000 0.529 248 G N 1.705 110.623 108.800 0.197 0.000 2.176 248 G HA2 -0.206 3.775 3.960 0.035 0.000 0.232 248 G HA3 -0.206 3.775 3.960 0.035 0.000 0.232 248 G C -0.307 174.672 174.900 0.131 0.000 0.986 248 G CA 0.218 45.420 45.100 0.170 0.000 0.643 248 G HN 0.450 nan 8.290 nan 0.000 0.522 249 D N 1.362 121.860 120.400 0.164 0.000 2.688 249 D HA 0.310 4.971 4.640 0.035 0.000 0.228 249 D C 2.045 178.347 176.300 0.003 0.000 1.116 249 D CA -0.243 53.775 54.000 0.031 0.000 1.023 249 D CB 0.043 40.887 40.800 0.073 0.000 1.100 249 D HN 0.381 nan 8.370 nan 0.000 0.487 250 L N -0.237 120.971 121.223 -0.024 0.000 2.156 250 L HA -0.089 4.272 4.340 0.035 0.000 0.208 250 L C 2.247 179.074 176.870 -0.072 0.000 1.095 250 L CA 0.578 55.397 54.840 -0.035 0.000 0.770 250 L CB -0.121 41.895 42.059 -0.072 0.000 0.914 250 L HN 0.259 nan 8.230 nan 0.000 0.439 251 L N 0.070 121.233 121.223 -0.099 0.000 2.056 251 L HA -0.174 4.187 4.340 0.035 0.000 0.207 251 L C 2.793 179.611 176.870 -0.087 0.000 1.078 251 L CA 1.249 56.016 54.840 -0.120 0.000 0.749 251 L CB -0.403 41.566 42.059 -0.149 0.000 0.901 251 L HN 0.385 nan 8.230 nan 0.000 0.433 252 E N -0.782 119.375 120.200 -0.071 0.000 2.358 252 E HA -0.188 4.183 4.350 0.035 0.000 0.195 252 E C 2.268 178.854 176.600 -0.024 0.000 1.010 252 E CA 0.986 57.359 56.400 -0.045 0.000 0.856 252 E CB -0.778 28.906 29.700 -0.026 0.000 0.795 252 E HN 0.496 nan 8.360 nan 0.000 0.504 253 c N 1.688 120.278 118.600 -0.017 0.000 2.442 253 c HA -0.004 4.587 4.570 0.035 0.000 0.279 253 c C 3.080 177.155 174.090 -0.024 0.000 1.237 253 c CA 1.710 58.041 56.329 0.003 0.000 1.722 253 c CB -1.036 41.497 42.510 0.038 0.000 2.056 253 c HN 0.579 nan 8.230 nan 0.000 0.469 254 A N -0.282 122.506 122.820 -0.053 0.000 1.908 254 A HA -0.204 4.138 4.320 0.035 0.000 0.218 254 A C 2.001 179.558 177.584 -0.045 0.000 1.181 254 A CA 2.336 54.333 52.037 -0.068 0.000 0.627 254 A CB -0.893 18.059 19.000 -0.080 0.000 0.818 254 A HN 0.703 nan 8.150 nan 0.000 0.445 255 D N -0.144 120.229 120.400 -0.044 0.000 2.097 255 D HA -0.129 4.532 4.640 0.035 0.000 0.195 255 D C 1.302 177.598 176.300 -0.006 0.000 0.989 255 D CA 1.404 55.383 54.000 -0.035 0.000 0.827 255 D CB -0.218 40.545 40.800 -0.062 0.000 0.966 255 D HN 0.351 nan 8.370 nan 0.000 0.456 256 D N -0.355 120.044 120.400 -0.001 0.000 2.149 256 D HA -0.080 4.582 4.640 0.035 0.000 0.201 256 D C 2.083 178.394 176.300 0.019 0.000 0.972 256 D CA 0.368 54.375 54.000 0.013 0.000 0.835 256 D CB -0.143 40.663 40.800 0.010 0.000 0.966 256 D HN 0.183 nan 8.370 nan 0.000 0.476 257 R N 0.720 121.227 120.500 0.013 0.000 2.073 257 R HA -0.115 4.246 4.340 0.035 0.000 0.234 257 R C 2.113 178.435 176.300 0.037 0.000 1.134 257 R CA 1.491 57.607 56.100 0.028 0.000 0.952 257 R CB -0.166 30.135 30.300 0.002 0.000 0.850 257 R HN 0.084 nan 8.270 nan 0.000 0.433 258 A N 1.161 123.993 122.820 0.020 0.000 1.948 258 A HA -0.221 4.120 4.320 0.035 0.000 0.220 258 A C 1.660 179.273 177.584 0.048 0.000 1.177 258 A CA 2.034 54.089 52.037 0.030 0.000 0.636 258 A CB -0.576 18.432 19.000 0.014 0.000 0.815 258 A HN 0.402 nan 8.150 nan 0.000 0.449 259 D N -0.569 119.860 120.400 0.048 0.000 2.097 259 D HA -0.122 4.539 4.640 0.035 0.000 0.195 259 D C 1.853 178.214 176.300 0.102 0.000 0.989 259 D CA 1.254 55.295 54.000 0.067 0.000 0.827 259 D CB -0.461 40.371 40.800 0.055 0.000 0.966 259 D HN 0.320 nan 8.370 nan 0.000 0.456 260 L N 1.036 122.313 121.223 0.090 0.000 2.042 260 L HA -0.114 4.247 4.340 0.035 0.000 0.210 260 L C 2.161 179.128 176.870 0.161 0.000 1.076 260 L CA 1.766 56.680 54.840 0.122 0.000 0.749 260 L CB -0.923 41.190 42.059 0.089 0.000 0.893 260 L HN -0.020 nan 8.230 nan 0.000 0.432 261 A N -0.222 122.668 122.820 0.116 0.000 1.873 261 A HA -0.341 4.000 4.320 0.035 0.000 0.218 261 A C 2.452 180.090 177.584 0.089 0.000 1.193 261 A CA 2.410 54.506 52.037 0.099 0.000 0.629 261 A CB -0.798 18.247 19.000 0.074 0.000 0.826 261 A HN 0.558 nan 8.150 nan 0.000 0.447 262 K N -1.856 118.595 120.400 0.085 0.000 2.063 262 K HA -0.243 4.098 4.320 0.035 0.000 0.208 262 K C 1.986 178.627 176.600 0.067 0.000 1.048 262 K CA 1.954 58.280 56.287 0.065 0.000 0.928 262 K CB -0.478 32.060 32.500 0.064 0.000 0.713 262 K HN 0.535 nan 8.250 nan 0.000 0.442 263 Y N 1.453 121.758 120.300 0.007 0.000 2.114 263 Y HA -0.202 4.370 4.550 0.037 0.000 0.284 263 Y C 1.903 177.791 175.900 -0.020 0.000 1.143 263 Y CA 1.931 60.029 58.100 -0.003 0.000 1.135 263 Y CB -0.194 38.267 38.460 0.001 0.000 0.980 263 Y HN 0.020 nan 8.280 nan 0.000 0.499 264 I N -0.686 119.957 120.570 0.122 0.000 2.151 264 I HA -0.432 3.759 4.170 0.035 0.000 0.243 264 I C 2.423 178.466 176.117 -0.123 0.000 1.080 264 I CA 1.581 62.873 61.300 -0.014 0.000 1.339 264 I CB -0.678 37.364 38.000 0.071 0.000 1.039 264 I HN 0.366 nan 8.210 nan 0.000 0.409 265 c N 0.344 118.907 118.600 -0.062 0.000 2.432 265 c HA -0.111 4.481 4.570 0.035 0.000 0.282 265 c C 2.488 176.519 174.090 -0.099 0.000 1.388 265 c CA 0.701 56.995 56.329 -0.059 0.000 1.777 265 c CB -1.204 41.296 42.510 -0.016 0.000 1.882 265 c HN 0.486 nan 8.230 nan 0.000 0.520 266 E N 0.489 120.595 120.200 -0.158 0.000 2.318 266 E HA -0.011 4.360 4.350 0.035 0.000 0.193 266 E C 0.509 176.976 176.600 -0.220 0.000 0.998 266 E CA 0.474 56.772 56.400 -0.169 0.000 0.859 266 E CB 0.074 29.677 29.700 -0.163 0.000 0.812 266 E HN 0.605 nan 8.360 nan 0.000 0.492 267 N N 0.466 118.978 118.700 -0.314 0.000 2.338 267 N HA 0.047 4.808 4.740 0.035 0.000 0.251 267 N C 0.607 175.992 175.510 -0.208 0.000 1.199 267 N CA -0.012 52.869 53.050 -0.283 0.000 0.879 267 N CB 0.574 38.810 38.487 -0.419 0.000 1.159 267 N HN 0.084 nan 8.380 nan 0.000 0.514 268 Q N 0.784 120.486 119.800 -0.164 0.000 2.103 268 Q HA -0.259 4.102 4.340 0.035 0.000 0.213 268 Q C 0.448 176.384 176.000 -0.107 0.000 1.008 268 Q CA 2.241 57.969 55.803 -0.126 0.000 0.879 268 Q CB 0.081 28.773 28.738 -0.077 0.000 0.946 268 Q HN 0.295 nan 8.270 nan 0.000 0.413 269 D N -0.798 119.552 120.400 -0.083 0.000 2.116 269 D HA -0.144 4.517 4.640 0.035 0.000 0.193 269 D C 1.814 178.079 176.300 -0.058 0.000 0.998 269 D CA 1.694 55.660 54.000 -0.057 0.000 0.836 269 D CB -0.227 40.545 40.800 -0.047 0.000 0.951 269 D HN 0.105 nan 8.370 nan 0.000 0.449 270 S N -0.920 114.733 115.700 -0.079 0.000 2.522 270 S HA 0.114 4.605 4.470 0.035 0.000 0.227 270 S C 1.771 176.322 174.600 -0.081 0.000 0.986 270 S CA 0.269 58.431 58.200 -0.063 0.000 0.929 270 S CB 0.212 63.373 63.200 -0.065 0.000 0.769 270 S HN 0.262 nan 8.310 nan 0.000 0.529 271 I N -1.057 119.422 120.570 -0.152 0.000 3.565 271 I HA 0.212 4.403 4.170 0.035 0.000 0.287 271 I C 0.683 176.651 176.117 -0.247 0.000 1.193 271 I CA 0.165 61.291 61.300 -0.289 0.000 1.402 271 I CB 0.676 38.368 38.000 -0.513 0.000 1.284 271 I HN 0.101 nan 8.210 nan 0.000 0.454 272 S N -0.704 114.914 115.700 -0.137 0.000 2.552 272 S HA 0.190 4.682 4.470 0.035 0.000 0.272 272 S C 0.446 175.058 174.600 0.021 0.000 1.150 272 S CA -0.092 58.118 58.200 0.018 0.000 0.849 272 S CB 1.327 64.608 63.200 0.135 0.000 1.113 272 S HN 0.193 nan 8.310 nan 0.000 0.458 273 S N 2.178 117.909 115.700 0.050 0.000 2.527 273 S HA 0.239 4.731 4.470 0.035 0.000 0.222 273 S C 0.805 175.429 174.600 0.041 0.000 0.985 273 S CA 0.098 58.318 58.200 0.033 0.000 0.921 273 S CB -0.126 63.092 63.200 0.030 0.000 0.772 273 S HN 0.533 nan 8.310 nan 0.000 0.529 274 K N 0.837 121.278 120.400 0.070 0.000 2.514 274 K HA 0.428 4.769 4.320 0.035 0.000 0.207 274 K C 0.199 176.844 176.600 0.075 0.000 1.035 274 K CA 0.027 56.355 56.287 0.070 0.000 1.113 274 K CB 0.346 32.895 32.500 0.080 0.000 0.846 274 K HN 0.424 nan 8.250 nan 0.000 0.491 275 L N 0.227 121.487 121.223 0.062 0.000 2.858 275 L HA 0.087 4.449 4.340 0.035 0.000 0.251 275 L C 1.542 178.432 176.870 0.033 0.000 1.149 275 L CA -0.046 54.829 54.840 0.058 0.000 0.955 275 L CB 0.201 42.292 42.059 0.053 0.000 1.289 275 L HN 0.034 nan 8.230 nan 0.000 0.542 276 K N 0.909 121.324 120.400 0.025 0.000 2.001 276 K HA -0.260 4.081 4.320 0.035 0.000 0.223 276 K C 1.376 177.989 176.600 0.022 0.000 1.055 276 K CA 2.038 58.336 56.287 0.017 0.000 0.965 276 K CB -0.421 32.089 32.500 0.015 0.000 0.730 276 K HN 0.259 nan 8.250 nan 0.000 0.449 277 E N 0.089 120.305 120.200 0.026 0.000 2.347 277 E HA -0.062 4.309 4.350 0.035 0.000 0.196 277 E C 2.067 178.688 176.600 0.036 0.000 1.008 277 E CA 0.490 56.907 56.400 0.030 0.000 0.852 277 E CB -0.074 29.644 29.700 0.030 0.000 0.783 277 E HN 0.372 nan 8.360 nan 0.000 0.505 278 c N -0.094 118.529 118.600 0.038 0.000 2.453 278 c HA -0.109 4.483 4.570 0.035 0.000 0.277 278 c C 2.509 176.625 174.090 0.042 0.000 1.262 278 c CA 0.422 56.777 56.329 0.043 0.000 1.718 278 c CB -0.448 42.091 42.510 0.049 0.000 2.031 278 c HN 0.533 nan 8.230 nan 0.000 0.480 279 c N 0.778 119.398 118.600 0.034 0.000 2.576 279 c HA 0.048 4.639 4.570 0.035 0.000 0.267 279 c C 1.930 176.035 174.090 0.025 0.000 1.364 279 c CA 0.469 56.814 56.329 0.027 0.000 1.723 279 c CB -1.987 40.531 42.510 0.013 0.000 1.778 279 c HN 0.635 nan 8.230 nan 0.000 0.572 280 E N 0.208 120.426 120.200 0.029 0.000 2.474 280 E HA 0.050 4.422 4.350 0.035 0.000 0.195 280 E C 0.486 177.109 176.600 0.038 0.000 1.039 280 E CA 0.150 56.567 56.400 0.029 0.000 0.881 280 E CB 0.364 30.079 29.700 0.025 0.000 0.970 280 E HN 0.608 nan 8.360 nan 0.000 0.486 281 K N 1.893 122.322 120.400 0.048 0.000 2.154 281 K HA 0.226 4.567 4.320 0.035 0.000 0.264 281 K C -2.407 174.232 176.600 0.064 0.000 1.008 281 K CA -1.813 54.511 56.287 0.063 0.000 0.937 281 K CB 0.317 32.866 32.500 0.082 0.000 1.002 281 K HN -0.164 nan 8.250 nan 0.000 0.469 282 P HA -0.139 nan 4.420 nan 0.000 0.271 282 P C 0.928 178.278 177.300 0.083 0.000 1.233 282 P CA -0.238 62.904 63.100 0.071 0.000 0.795 282 P CB 0.335 32.080 31.700 0.075 0.000 0.936 283 L N 2.049 123.314 121.223 0.070 0.000 2.131 283 L HA -0.295 4.066 4.340 0.035 0.000 0.247 283 L C 1.985 178.912 176.870 0.095 0.000 1.112 283 L CA 2.193 57.074 54.840 0.069 0.000 0.843 283 L CB -1.553 40.539 42.059 0.055 0.000 0.948 283 L HN 0.350 nan 8.230 nan 0.000 0.444 284 L N -1.193 120.111 121.223 0.136 0.000 2.027 284 L HA -0.202 4.159 4.340 0.035 0.000 0.206 284 L C 2.570 179.584 176.870 0.240 0.000 1.074 284 L CA 1.724 56.686 54.840 0.203 0.000 0.745 284 L CB -0.512 41.715 42.059 0.281 0.000 0.898 284 L HN 0.451 nan 8.230 nan 0.000 0.433 285 E N 0.041 120.431 120.200 0.318 0.000 2.070 285 E HA -0.329 4.042 4.350 0.035 0.000 0.197 285 E C 2.048 178.702 176.600 0.089 0.000 1.004 285 E CA 1.676 58.243 56.400 0.280 0.000 0.805 285 E CB -0.106 29.779 29.700 0.308 0.000 0.744 285 E HN 0.235 nan 8.360 nan 0.000 0.451 286 K N 0.373 120.828 120.400 0.092 0.000 2.107 286 K HA -0.241 4.100 4.320 0.035 0.000 0.211 286 K C 2.066 178.691 176.600 0.041 0.000 1.049 286 K CA 1.964 58.288 56.287 0.062 0.000 0.927 286 K CB -0.077 32.460 32.500 0.062 0.000 0.714 286 K HN -0.029 nan 8.250 nan 0.000 0.452 287 S N -1.145 114.573 115.700 0.031 0.000 2.388 287 S HA -0.085 4.406 4.470 0.035 0.000 0.223 287 S C 1.627 176.228 174.600 0.001 0.000 1.034 287 S CA 0.910 59.131 58.200 0.035 0.000 0.963 287 S CB -0.410 62.816 63.200 0.044 0.000 0.827 287 S HN 0.498 nan 8.310 nan 0.000 0.481 288 H N 0.925 119.851 119.070 -0.239 0.000 2.319 288 H HA -0.116 4.460 4.556 0.035 0.000 0.299 288 H C 2.441 177.657 175.328 -0.187 0.000 1.092 288 H CA 1.845 57.672 56.048 -0.368 0.000 1.302 288 H CB -0.881 28.203 29.762 -1.129 0.000 1.373 288 H HN 0.419 nan 8.280 nan 0.000 0.497 289 c N 0.019 118.529 118.600 -0.150 0.000 2.396 289 c HA -0.194 4.397 4.570 0.035 0.000 0.281 289 c C 2.865 176.914 174.090 -0.069 0.000 1.208 289 c CA 1.540 57.812 56.329 -0.096 0.000 1.754 289 c CB -1.424 41.089 42.510 0.005 0.000 2.044 289 c HN 0.713 nan 8.230 nan 0.000 0.449 290 I N 1.512 122.083 120.570 0.002 0.000 2.113 290 I HA -0.320 3.871 4.170 0.035 0.000 0.242 290 I C 2.844 178.994 176.117 0.054 0.000 1.057 290 I CA 2.147 63.488 61.300 0.067 0.000 1.314 290 I CB -0.710 37.356 38.000 0.109 0.000 1.022 290 I HN 0.547 nan 8.210 nan 0.000 0.408 291 A N -0.505 122.325 122.820 0.018 0.000 1.948 291 A HA -0.259 4.082 4.320 0.035 0.000 0.220 291 A C 2.034 179.586 177.584 -0.053 0.000 1.177 291 A CA 2.061 54.105 52.037 0.013 0.000 0.636 291 A CB -0.445 18.572 19.000 0.028 0.000 0.815 291 A HN 0.552 nan 8.150 nan 0.000 0.449 292 E N -1.038 119.090 120.200 -0.121 0.000 2.685 292 E HA 0.332 4.703 4.350 0.035 0.000 0.208 292 E C -0.279 176.268 176.600 -0.088 0.000 0.996 292 E CA -0.399 55.924 56.400 -0.128 0.000 1.054 292 E CB 0.588 30.153 29.700 -0.225 0.000 1.075 292 E HN 0.293 nan 8.360 nan 0.000 0.460 293 V N 1.682 121.564 119.914 -0.053 0.000 3.441 293 V HA 0.017 4.159 4.120 0.035 0.000 0.300 293 V C 0.360 176.434 176.094 -0.035 0.000 1.091 293 V CA -0.049 62.240 62.300 -0.019 0.000 1.099 293 V CB 1.164 33.009 31.823 0.037 0.000 1.138 293 V HN 0.346 nan 8.190 nan 0.000 0.471 294 E N 2.911 123.102 120.200 -0.015 0.000 2.345 294 E HA 0.210 4.581 4.350 0.035 0.000 0.259 294 E C -0.616 175.963 176.600 -0.036 0.000 1.117 294 E CA -0.843 55.542 56.400 -0.025 0.000 0.913 294 E CB 0.386 30.081 29.700 -0.009 0.000 1.057 294 E HN 0.629 nan 8.360 nan 0.000 0.432 295 N N 1.917 120.587 118.700 -0.050 0.000 2.458 295 N HA -0.011 4.751 4.740 0.035 0.000 0.258 295 N C -0.491 175.009 175.510 -0.017 0.000 1.219 295 N CA 0.166 53.182 53.050 -0.057 0.000 0.902 295 N CB 0.422 38.874 38.487 -0.060 0.000 1.076 295 N HN 0.501 nan 8.380 nan 0.000 0.455 296 D N 0.965 121.370 120.400 0.008 0.000 2.358 296 D HA 0.043 4.704 4.640 0.035 0.000 0.244 296 D C -0.087 176.219 176.300 0.009 0.000 1.163 296 D CA -0.140 53.884 54.000 0.040 0.000 0.945 296 D CB 0.821 41.683 40.800 0.104 0.000 1.152 296 D HN 0.270 nan 8.370 nan 0.000 0.451 297 E N 0.865 121.071 120.200 0.010 0.000 2.408 297 E HA 0.054 4.426 4.350 0.035 0.000 0.259 297 E C -0.015 176.576 176.600 -0.016 0.000 1.110 297 E CA -0.018 56.377 56.400 -0.009 0.000 0.929 297 E CB 0.633 30.330 29.700 -0.005 0.000 0.971 297 E HN 0.447 nan 8.360 nan 0.000 0.438 298 M N 2.720 122.298 119.600 -0.038 0.000 2.188 298 M HA 0.208 4.709 4.480 0.035 0.000 0.357 298 M C -2.207 174.067 176.300 -0.044 0.000 1.204 298 M CA -1.819 53.447 55.300 -0.056 0.000 1.095 298 M CB 1.048 33.593 32.600 -0.092 0.000 1.604 298 M HN 0.010 nan 8.290 nan 0.000 0.464 299 P HA 0.006 nan 4.420 nan 0.000 0.261 299 P C -0.026 177.252 177.300 -0.037 0.000 1.183 299 P CA 0.156 63.241 63.100 -0.025 0.000 0.761 299 P CB 0.316 32.007 31.700 -0.015 0.000 0.785 300 A N 4.146 126.950 122.820 -0.028 0.000 2.623 300 A HA -0.272 4.069 4.320 0.035 0.000 0.245 300 A C 0.948 178.505 177.584 -0.044 0.000 1.768 300 A CA 2.128 54.146 52.037 -0.032 0.000 1.045 300 A CB -1.443 17.544 19.000 -0.023 0.000 0.578 300 A HN 0.574 nan 8.150 nan 0.000 0.475 301 D N -0.411 119.964 120.400 -0.041 0.000 2.414 301 D HA 0.552 5.213 4.640 0.035 0.000 0.232 301 D C -0.674 175.593 176.300 -0.055 0.000 1.070 301 D CA -0.262 53.708 54.000 -0.050 0.000 0.839 301 D CB 0.277 41.052 40.800 -0.041 0.000 1.079 301 D HN 0.341 nan 8.370 nan 0.000 0.521 302 L N 4.592 125.769 121.223 -0.075 0.000 2.357 302 L HA 0.520 4.881 4.340 0.035 0.000 0.273 302 L C -1.356 175.464 176.870 -0.084 0.000 1.080 302 L CA -1.537 53.254 54.840 -0.082 0.000 0.803 302 L CB 0.939 42.929 42.059 -0.115 0.000 1.174 302 L HN 0.331 nan 8.230 nan 0.000 0.443 303 P HA 0.108 nan 4.420 nan 0.000 0.286 303 P C -0.585 176.656 177.300 -0.099 0.000 1.293 303 P CA -0.498 62.555 63.100 -0.077 0.000 0.770 303 P CB 0.792 32.452 31.700 -0.066 0.000 1.206 304 S N -1.303 114.338 115.700 -0.099 0.000 2.610 304 S HA 0.190 4.681 4.470 0.035 0.000 0.273 304 S C 1.499 176.040 174.600 -0.099 0.000 1.274 304 S CA -0.684 57.444 58.200 -0.120 0.000 1.023 304 S CB -0.171 62.953 63.200 -0.126 0.000 0.962 304 S HN 0.330 nan 8.310 nan 0.000 0.523 305 L N 3.360 124.530 121.223 -0.089 0.000 2.046 305 L HA -0.034 4.327 4.340 0.035 0.000 0.208 305 L C 2.912 179.871 176.870 0.148 0.000 1.077 305 L CA 1.544 56.459 54.840 0.126 0.000 0.747 305 L CB -1.018 41.155 42.059 0.190 0.000 0.896 305 L HN 0.885 nan 8.230 nan 0.000 0.432 306 A N 0.440 123.223 122.820 -0.063 0.000 1.859 306 A HA -0.319 4.022 4.320 0.035 0.000 0.218 306 A C 2.578 180.201 177.584 0.065 0.000 1.209 306 A CA 2.425 54.464 52.037 0.004 0.000 0.639 306 A CB -1.185 17.750 19.000 -0.108 0.000 0.835 306 A HN 0.405 nan 8.150 nan 0.000 0.450 307 A N -0.087 122.723 122.820 -0.015 0.000 1.893 307 A HA -0.369 3.973 4.320 0.035 0.000 0.222 307 A C 1.792 179.358 177.584 -0.030 0.000 1.309 307 A CA 2.493 54.519 52.037 -0.019 0.000 0.681 307 A CB -1.073 17.896 19.000 -0.053 0.000 0.842 307 A HN 0.605 nan 8.150 nan 0.000 0.468 308 D N -1.513 118.777 120.400 -0.183 0.000 2.123 308 D HA -0.038 4.623 4.640 0.035 0.000 0.200 308 D C 1.255 177.475 176.300 -0.134 0.000 0.976 308 D CA 1.120 54.939 54.000 -0.301 0.000 0.831 308 D CB -0.295 40.056 40.800 -0.748 0.000 0.974 308 D HN 0.508 nan 8.370 nan 0.000 0.469 309 F N -0.240 119.859 119.950 0.248 0.000 2.727 309 F HA 0.156 4.704 4.527 0.035 0.000 0.302 309 F C 1.565 177.579 175.800 0.356 0.000 1.097 309 F CA -0.132 58.086 58.000 0.364 0.000 1.330 309 F CB 0.407 39.615 39.000 0.347 0.000 1.084 309 F HN -0.219 nan 8.300 nan 0.000 0.578 310 V N -1.637 118.508 119.914 0.385 0.000 4.655 310 V HA -0.012 4.129 4.120 0.035 0.000 0.145 310 V C 1.525 177.844 176.094 0.374 0.000 1.292 310 V CA -0.027 62.505 62.300 0.386 0.000 1.119 310 V CB 0.082 32.146 31.823 0.400 0.000 1.286 310 V HN -0.078 nan 8.190 nan 0.000 0.626 311 E N 1.017 121.361 120.200 0.239 0.000 2.347 311 E HA 0.012 4.383 4.350 0.035 0.000 0.196 311 E C 1.104 177.806 176.600 0.170 0.000 1.008 311 E CA 0.747 57.254 56.400 0.178 0.000 0.852 311 E CB 0.192 29.945 29.700 0.087 0.000 0.783 311 E HN 0.429 nan 8.360 nan 0.000 0.505 312 S N 0.564 116.371 115.700 0.178 0.000 2.593 312 S HA 0.041 4.532 4.470 0.035 0.000 0.269 312 S C 0.696 175.452 174.600 0.259 0.000 1.334 312 S CA -0.341 57.956 58.200 0.161 0.000 1.015 312 S CB 0.695 63.967 63.200 0.121 0.000 0.912 312 S HN 0.039 nan 8.310 nan 0.000 0.541 313 K N 1.308 121.842 120.400 0.223 0.000 2.397 313 K HA 0.227 4.568 4.320 0.035 0.000 0.202 313 K C -0.685 176.042 176.600 0.212 0.000 1.022 313 K CA -0.107 56.376 56.287 0.327 0.000 1.141 313 K CB 0.279 32.912 32.500 0.221 0.000 0.857 313 K HN 0.430 nan 8.250 nan 0.000 0.514 314 D N 1.103 121.586 120.400 0.138 0.000 2.945 314 D HA 0.069 4.730 4.640 0.035 0.000 0.366 314 D C 1.064 177.363 176.300 -0.000 0.000 1.352 314 D CA -0.059 53.977 54.000 0.060 0.000 0.810 314 D CB 1.017 41.841 40.800 0.040 0.000 1.170 314 D HN -0.209 nan 8.370 nan 0.000 0.461 315 V N -0.166 119.753 119.914 0.008 0.000 2.223 315 V HA -0.281 3.860 4.120 0.035 0.000 0.244 315 V C 2.509 178.494 176.094 -0.183 0.000 1.045 315 V CA 1.520 63.762 62.300 -0.096 0.000 1.000 315 V CB -0.350 31.363 31.823 -0.183 0.000 0.635 315 V HN 0.433 nan 8.190 nan 0.000 0.445 316 c N -0.396 118.149 118.600 -0.091 0.000 2.403 316 c HA -0.201 4.390 4.570 0.035 0.000 0.277 316 c C 2.787 176.864 174.090 -0.020 0.000 1.248 316 c CA 1.481 57.785 56.329 -0.042 0.000 1.762 316 c CB -1.041 41.455 42.510 -0.023 0.000 2.014 316 c HN 0.571 nan 8.230 nan 0.000 0.486 317 K N 0.786 121.156 120.400 -0.051 0.000 2.002 317 K HA -0.167 4.174 4.320 0.035 0.000 0.209 317 K C 2.101 178.635 176.600 -0.109 0.000 1.048 317 K CA 1.411 57.667 56.287 -0.051 0.000 0.930 317 K CB -0.303 32.178 32.500 -0.031 0.000 0.714 317 K HN 0.400 nan 8.250 nan 0.000 0.438 318 N N -0.091 118.475 118.700 -0.223 0.000 2.188 318 N HA -0.178 4.583 4.740 0.035 0.000 0.184 318 N C 1.740 176.935 175.510 -0.524 0.000 1.018 318 N CA 1.038 53.860 53.050 -0.380 0.000 0.858 318 N CB -0.130 38.030 38.487 -0.544 0.000 0.989 318 N HN 0.234 nan 8.380 nan 0.000 0.426 319 Y N 1.383 121.261 120.300 -0.703 0.000 2.089 319 Y HA -0.105 4.467 4.550 0.036 0.000 0.282 319 Y C 2.304 178.121 175.900 -0.137 0.000 1.139 319 Y CA 2.255 60.133 58.100 -0.369 0.000 1.123 319 Y CB -0.700 37.623 38.460 -0.227 0.000 0.980 319 Y HN 0.092 nan 8.280 nan 0.000 0.493 320 A N -0.289 122.532 122.820 0.001 0.000 2.168 320 A HA -0.101 4.240 4.320 0.035 0.000 0.215 320 A C 2.044 179.592 177.584 -0.060 0.000 1.152 320 A CA 1.346 53.368 52.037 -0.025 0.000 0.716 320 A CB -0.626 18.403 19.000 0.049 0.000 0.794 320 A HN 0.658 nan 8.150 nan 0.000 0.465 321 E N -0.676 119.483 120.200 -0.067 0.000 2.046 321 E HA 0.118 4.489 4.350 0.035 0.000 0.190 321 E C 0.421 176.996 176.600 -0.041 0.000 0.982 321 E CA 0.992 57.367 56.400 -0.040 0.000 0.800 321 E CB -0.008 29.676 29.700 -0.026 0.000 0.756 321 E HN 0.510 nan 8.360 nan 0.000 0.449 322 A N 0.663 123.447 122.820 -0.060 0.000 2.599 322 A HA 0.134 4.476 4.320 0.035 0.000 0.300 322 A C 0.350 177.902 177.584 -0.054 0.000 1.151 322 A CA -0.569 51.443 52.037 -0.041 0.000 0.883 322 A CB 0.367 19.383 19.000 0.026 0.000 1.480 322 A HN 0.150 nan 8.150 nan 0.000 0.401 323 K N 0.649 120.920 120.400 -0.214 0.000 2.147 323 K HA -0.173 4.169 4.320 0.035 0.000 0.205 323 K C 0.603 177.203 176.600 0.000 0.000 1.049 323 K CA 1.882 57.985 56.287 -0.307 0.000 0.936 323 K CB -0.002 32.015 32.500 -0.805 0.000 0.722 323 K HN 0.430 nan 8.250 nan 0.000 0.446 324 D N 1.379 121.790 120.400 0.018 0.000 2.087 324 D HA -0.136 4.525 4.640 0.035 0.000 0.192 324 D C 2.142 178.538 176.300 0.160 0.000 0.993 324 D CA 1.511 55.564 54.000 0.088 0.000 0.828 324 D CB -0.436 40.412 40.800 0.079 0.000 0.968 324 D HN 0.063 nan 8.370 nan 0.000 0.448 325 V N 0.929 120.953 119.914 0.183 0.000 2.332 325 V HA -0.248 3.893 4.120 0.035 0.000 0.248 325 V C 2.191 178.425 176.094 0.233 0.000 1.055 325 V CA 1.321 63.779 62.300 0.263 0.000 1.038 325 V CB -0.566 31.413 31.823 0.259 0.000 0.651 325 V HN 0.077 nan 8.190 nan 0.000 0.450 326 F N 0.488 120.487 119.950 0.081 0.000 2.051 326 F HA -0.160 4.387 4.527 0.034 0.000 0.296 326 F C 2.083 177.978 175.800 0.158 0.000 1.122 326 F CA 1.654 59.729 58.000 0.125 0.000 1.201 326 F CB -0.465 38.640 39.000 0.175 0.000 0.978 326 F HN 0.013 nan 8.300 nan 0.000 0.472 327 L N -0.327 121.001 121.223 0.174 0.000 2.191 327 L HA -0.153 4.209 4.340 0.035 0.000 0.212 327 L C 2.706 179.625 176.870 0.081 0.000 1.103 327 L CA 1.202 56.084 54.840 0.070 0.000 0.769 327 L CB -1.411 40.720 42.059 0.120 0.000 0.908 327 L HN 0.340 nan 8.230 nan 0.000 0.438 328 G N -0.697 108.181 108.800 0.129 0.000 2.408 328 G HA2 -0.280 3.701 3.960 0.035 0.000 0.217 328 G HA3 -0.280 3.701 3.960 0.035 0.000 0.217 328 G C 1.643 176.604 174.900 0.103 0.000 1.150 328 G CA 0.575 45.802 45.100 0.212 0.000 0.776 328 G HN 0.196 nan 8.290 nan 0.000 0.542 329 M N -0.655 118.808 119.600 -0.227 0.000 2.099 329 M HA 0.088 4.589 4.480 0.035 0.000 0.262 329 M C 2.241 178.529 176.300 -0.020 0.000 1.067 329 M CA 1.309 56.352 55.300 -0.429 0.000 1.124 329 M CB -0.197 32.151 32.600 -0.419 0.000 1.353 329 M HN 0.283 nan 8.290 nan 0.000 0.410 330 F N 0.470 120.193 119.950 -0.378 0.000 2.095 330 F HA -0.289 4.258 4.527 0.035 0.000 0.298 330 F C 1.709 177.307 175.800 -0.337 0.000 1.104 330 F CA 1.413 58.931 58.000 -0.803 0.000 1.232 330 F CB -0.316 37.959 39.000 -1.207 0.000 0.987 330 F HN 0.064 nan 8.300 nan 0.000 0.475 331 L N -0.249 120.952 121.223 -0.036 0.000 2.083 331 L HA -0.210 4.151 4.340 0.035 0.000 0.209 331 L C 2.160 179.026 176.870 -0.006 0.000 1.083 331 L CA 1.786 56.604 54.840 -0.037 0.000 0.752 331 L CB -1.611 40.499 42.059 0.085 0.000 0.899 331 L HN 0.444 nan 8.230 nan 0.000 0.433 332 Y N 0.312 120.601 120.300 -0.019 0.000 2.109 332 Y HA -0.194 4.377 4.550 0.035 0.000 0.285 332 Y C 2.488 178.386 175.900 -0.002 0.000 1.131 332 Y CA 1.820 59.960 58.100 0.067 0.000 1.121 332 Y CB -0.087 38.505 38.460 0.220 0.000 0.987 332 Y HN 0.168 nan 8.280 nan 0.000 0.495 333 E N -0.622 119.551 120.200 -0.044 0.000 2.077 333 E HA -0.243 4.128 4.350 0.035 0.000 0.193 333 E C 2.108 178.579 176.600 -0.214 0.000 0.989 333 E CA 1.467 57.788 56.400 -0.132 0.000 0.800 333 E CB -0.861 28.968 29.700 0.214 0.000 0.746 333 E HN 0.609 nan 8.360 nan 0.000 0.452 334 Y N 1.038 121.073 120.300 -0.442 0.000 2.200 334 Y HA -0.162 4.410 4.550 0.036 0.000 0.290 334 Y C 2.271 178.015 175.900 -0.260 0.000 1.137 334 Y CA 1.407 59.247 58.100 -0.433 0.000 1.163 334 Y CB -0.305 37.636 38.460 -0.864 0.000 0.988 334 Y HN 0.019 nan 8.280 nan 0.000 0.518 335 A N 0.896 123.687 122.820 -0.048 0.000 1.898 335 A HA -0.128 4.213 4.320 0.035 0.000 0.214 335 A C 2.321 179.832 177.584 -0.122 0.000 1.183 335 A CA 1.392 53.403 52.037 -0.043 0.000 0.622 335 A CB -0.692 18.269 19.000 -0.065 0.000 0.824 335 A HN 0.545 nan 8.150 nan 0.000 0.444 336 R N -0.249 120.113 120.500 -0.230 0.000 2.127 336 R HA -0.126 4.236 4.340 0.035 0.000 0.238 336 R C 1.771 177.923 176.300 -0.247 0.000 1.134 336 R CA 1.773 57.720 56.100 -0.254 0.000 0.975 336 R CB -0.438 29.623 30.300 -0.398 0.000 0.865 336 R HN 0.406 nan 8.270 nan 0.000 0.447 337 R N -0.306 120.012 120.500 -0.304 0.000 2.276 337 R HA 0.078 4.439 4.340 0.035 0.000 0.203 337 R C 0.090 175.981 176.300 -0.682 0.000 1.017 337 R CA 0.601 56.426 56.100 -0.458 0.000 1.010 337 R CB 0.181 30.166 30.300 -0.525 0.000 0.900 337 R HN 0.352 nan 8.270 nan 0.000 0.469 338 H N -0.437 118.470 119.070 -0.272 0.000 2.607 338 H HA 0.151 4.728 4.556 0.035 0.000 0.248 338 H C -2.028 173.193 175.328 -0.177 0.000 1.355 338 H CA -1.870 53.982 56.048 -0.326 0.000 1.524 338 H CB 1.615 30.985 29.762 -0.653 0.000 1.563 338 H HN 0.004 nan 8.280 nan 0.000 0.509 339 P HA -0.081 nan 4.420 nan 0.000 0.229 339 P C 0.726 178.040 177.300 0.023 0.000 1.160 339 P CA 0.740 63.826 63.100 -0.024 0.000 0.777 339 P CB 0.327 31.994 31.700 -0.055 0.000 0.814 340 D N -2.514 117.923 120.400 0.061 0.000 2.336 340 D HA -0.071 4.590 4.640 0.035 0.000 0.229 340 D C 0.086 176.540 176.300 0.257 0.000 1.061 340 D CA -0.070 53.999 54.000 0.115 0.000 0.875 340 D CB -0.790 40.079 40.800 0.115 0.000 0.904 340 D HN 0.103 nan 8.370 nan 0.000 0.525 341 Y N 1.219 121.514 120.300 -0.009 0.000 2.420 341 Y HA 0.385 4.956 4.550 0.035 0.000 0.334 341 Y C 0.850 176.698 175.900 -0.087 0.000 1.094 341 Y CA -2.456 55.609 58.100 -0.058 0.000 1.126 341 Y CB 1.640 40.057 38.460 -0.072 0.000 1.217 341 Y HN -0.099 nan 8.280 nan 0.000 0.462 342 S N 0.572 116.239 115.700 -0.055 0.000 2.592 342 S HA 0.265 4.756 4.470 0.035 0.000 0.271 342 S C 0.572 175.071 174.600 -0.168 0.000 1.326 342 S CA -0.614 57.527 58.200 -0.099 0.000 1.024 342 S CB 1.000 64.124 63.200 -0.128 0.000 0.921 342 S HN 0.399 nan 8.310 nan 0.000 0.527 343 V N 2.803 122.588 119.914 -0.215 0.000 2.649 343 V HA -0.078 4.063 4.120 0.035 0.000 0.248 343 V C 2.517 178.213 176.094 -0.663 0.000 1.054 343 V CA 1.338 63.383 62.300 -0.424 0.000 1.073 343 V CB -0.958 30.576 31.823 -0.481 0.000 0.699 343 V HN 0.902 nan 8.190 nan 0.000 0.463 344 V N -0.906 118.675 119.914 -0.554 0.000 2.358 344 V HA -0.198 3.943 4.120 0.035 0.000 0.246 344 V C 2.381 178.243 176.094 -0.387 0.000 1.047 344 V CA 1.972 63.960 62.300 -0.519 0.000 1.035 344 V CB -0.894 30.784 31.823 -0.242 0.000 0.658 344 V HN 0.447 nan 8.190 nan 0.000 0.452 345 L N 0.352 121.376 121.223 -0.332 0.000 1.955 345 L HA -0.111 4.250 4.340 0.035 0.000 0.213 345 L C 2.412 179.039 176.870 -0.404 0.000 1.072 345 L CA 2.207 56.837 54.840 -0.350 0.000 0.755 345 L CB -0.944 40.877 42.059 -0.397 0.000 0.888 345 L HN 0.284 nan 8.230 nan 0.000 0.432 346 L N -0.940 120.045 121.223 -0.398 0.000 2.034 346 L HA -0.321 4.040 4.340 0.035 0.000 0.217 346 L C 2.586 179.216 176.870 -0.399 0.000 1.077 346 L CA 1.774 56.360 54.840 -0.424 0.000 0.769 346 L CB -0.515 41.352 42.059 -0.319 0.000 0.890 346 L HN 0.395 nan 8.230 nan 0.000 0.435 347 L N -1.233 119.754 121.223 -0.394 0.000 2.131 347 L HA -0.244 4.117 4.340 0.035 0.000 0.210 347 L C 2.711 179.416 176.870 -0.275 0.000 1.092 347 L CA 1.238 55.879 54.840 -0.331 0.000 0.759 347 L CB -0.595 41.215 42.059 -0.416 0.000 0.903 347 L HN 0.301 nan 8.230 nan 0.000 0.435 348 R N 0.110 120.431 120.500 -0.299 0.000 2.090 348 R HA -0.092 4.270 4.340 0.035 0.000 0.228 348 R C 2.343 178.468 176.300 -0.292 0.000 1.110 348 R CA 0.949 56.899 56.100 -0.251 0.000 0.973 348 R CB -0.045 30.116 30.300 -0.231 0.000 0.869 348 R HN 0.318 nan 8.270 nan 0.000 0.440 349 L N -0.356 120.597 121.223 -0.450 0.000 2.005 349 L HA -0.111 4.250 4.340 0.035 0.000 0.207 349 L C 2.630 179.199 176.870 -0.501 0.000 1.072 349 L CA 1.324 55.731 54.840 -0.722 0.000 0.744 349 L CB -0.648 40.690 42.059 -1.202 0.000 0.895 349 L HN 0.216 nan 8.230 nan 0.000 0.433 350 A N -0.048 122.569 122.820 -0.338 0.000 2.024 350 A HA -0.254 4.087 4.320 0.035 0.000 0.220 350 A C 2.292 179.732 177.584 -0.240 0.000 1.164 350 A CA 2.030 53.877 52.037 -0.316 0.000 0.643 350 A CB -0.375 18.587 19.000 -0.063 0.000 0.806 350 A HN 0.239 nan 8.150 nan 0.000 0.451 351 K N -0.798 119.503 120.400 -0.165 0.000 2.137 351 K HA 0.003 4.344 4.320 0.035 0.000 0.202 351 K C 1.965 178.528 176.600 -0.061 0.000 1.052 351 K CA 1.696 57.929 56.287 -0.090 0.000 0.961 351 K CB -0.614 31.836 32.500 -0.082 0.000 0.741 351 K HN 0.364 nan 8.250 nan 0.000 0.452 352 T N 0.135 114.654 114.554 -0.058 0.000 2.684 352 T HA -0.191 4.180 4.350 0.035 0.000 0.267 352 T C 1.332 176.040 174.700 0.014 0.000 1.036 352 T CA 1.684 63.791 62.100 0.011 0.000 1.148 352 T CB -0.543 68.393 68.868 0.114 0.000 0.863 352 T HN 0.245 nan 8.240 nan 0.000 0.436 353 Y N 1.730 121.925 120.300 -0.175 0.000 2.097 353 Y HA -0.193 4.378 4.550 0.035 0.000 0.282 353 Y C 2.628 178.410 175.900 -0.198 0.000 1.152 353 Y CA 1.971 59.906 58.100 -0.276 0.000 1.136 353 Y CB -0.344 37.704 38.460 -0.686 0.000 0.975 353 Y HN 0.282 nan 8.280 nan 0.000 0.498 354 E N -0.749 119.427 120.200 -0.040 0.000 2.049 354 E HA -0.268 4.103 4.350 0.035 0.000 0.198 354 E C 2.033 178.615 176.600 -0.031 0.000 1.007 354 E CA 2.566 58.983 56.400 0.028 0.000 0.809 354 E CB -0.237 29.509 29.700 0.077 0.000 0.749 354 E HN 0.651 nan 8.360 nan 0.000 0.450 355 T N -1.406 113.124 114.554 -0.040 0.000 2.708 355 T HA -0.148 4.223 4.350 0.035 0.000 0.266 355 T C 2.045 176.687 174.700 -0.097 0.000 1.037 355 T CA 1.946 64.019 62.100 -0.043 0.000 1.146 355 T CB -1.054 67.797 68.868 -0.028 0.000 0.865 355 T HN 0.102 nan 8.240 nan 0.000 0.435 356 T N 2.737 117.210 114.554 -0.135 0.000 2.833 356 T HA 0.103 4.474 4.350 0.035 0.000 0.269 356 T C 1.890 176.450 174.700 -0.233 0.000 1.054 356 T CA 0.967 62.974 62.100 -0.156 0.000 1.135 356 T CB -0.502 68.279 68.868 -0.145 0.000 0.869 356 T HN 0.306 nan 8.240 nan 0.000 0.466 357 L N 0.681 121.660 121.223 -0.408 0.000 2.275 357 L HA -0.001 4.360 4.340 0.035 0.000 0.215 357 L C 2.616 179.201 176.870 -0.476 0.000 1.119 357 L CA 1.007 55.496 54.840 -0.585 0.000 0.790 357 L CB -0.500 40.925 42.059 -1.057 0.000 0.919 357 L HN 0.246 nan 8.230 nan 0.000 0.443 358 E N 0.379 120.415 120.200 -0.274 0.000 2.299 358 E HA -0.151 4.220 4.350 0.035 0.000 0.193 358 E C 1.964 178.516 176.600 -0.081 0.000 0.998 358 E CA 0.491 56.822 56.400 -0.116 0.000 0.851 358 E CB 0.228 29.921 29.700 -0.013 0.000 0.795 358 E HN 0.471 nan 8.360 nan 0.000 0.492 359 K N 0.533 120.879 120.400 -0.089 0.000 2.116 359 K HA -0.028 4.313 4.320 0.035 0.000 0.203 359 K C 2.020 178.582 176.600 -0.064 0.000 1.052 359 K CA 1.129 57.378 56.287 -0.062 0.000 0.952 359 K CB -0.006 32.461 32.500 -0.056 0.000 0.729 359 K HN 0.016 nan 8.250 nan 0.000 0.446 360 c N 0.385 118.941 118.600 -0.073 0.000 2.505 360 c HA 0.062 4.653 4.570 0.035 0.000 0.279 360 c C 2.831 176.884 174.090 -0.063 0.000 1.316 360 c CA -0.047 56.249 56.329 -0.055 0.000 1.720 360 c CB -0.729 41.803 42.510 0.037 0.000 2.050 360 c HN 0.670 nan 8.230 nan 0.000 0.493 361 c N 1.240 119.792 118.600 -0.080 0.000 2.413 361 c HA -0.094 4.497 4.570 0.035 0.000 0.277 361 c C 3.033 177.094 174.090 -0.047 0.000 1.265 361 c CA 1.447 57.734 56.329 -0.070 0.000 1.752 361 c CB -1.457 40.995 42.510 -0.098 0.000 1.998 361 c HN 0.700 nan 8.230 nan 0.000 0.489 362 A N 0.109 122.902 122.820 -0.045 0.000 2.121 362 A HA 0.380 4.721 4.320 0.035 0.000 0.218 362 A C 1.294 178.859 177.584 -0.030 0.000 1.154 362 A CA 1.241 53.261 52.037 -0.028 0.000 0.679 362 A CB -0.448 18.539 19.000 -0.023 0.000 0.795 362 A HN 0.592 nan 8.150 nan 0.000 0.458 363 A N -1.384 121.411 122.820 -0.043 0.000 2.272 363 A HA 0.623 4.964 4.320 0.035 0.000 0.275 363 A C 1.605 179.165 177.584 -0.041 0.000 1.096 363 A CA 0.229 52.240 52.037 -0.043 0.000 0.822 363 A CB 0.056 19.021 19.000 -0.058 0.000 1.088 363 A HN 0.977 nan 8.150 nan 0.000 0.495 364 A N -0.328 122.471 122.820 -0.035 0.000 1.897 364 A HA 0.066 4.407 4.320 0.035 0.000 0.215 364 A C 0.847 178.409 177.584 -0.037 0.000 1.181 364 A CA 1.817 53.837 52.037 -0.028 0.000 0.620 364 A CB -0.550 18.439 19.000 -0.019 0.000 0.821 364 A HN 0.849 nan 8.150 nan 0.000 0.443 365 D N -1.392 118.979 120.400 -0.049 0.000 2.274 365 D HA 0.428 5.089 4.640 0.035 0.000 0.239 365 D C -1.775 174.442 176.300 -0.138 0.000 1.104 365 D CA -1.932 52.029 54.000 -0.065 0.000 0.840 365 D CB 1.569 42.342 40.800 -0.045 0.000 1.100 365 D HN -0.001 nan 8.370 nan 0.000 0.477 366 P HA -0.013 nan 4.420 nan 0.000 0.216 366 P C 0.696 177.531 177.300 -0.775 0.000 1.154 366 P CA 0.994 63.867 63.100 -0.378 0.000 0.857 366 P CB 0.260 31.745 31.700 -0.357 0.000 0.787 367 H N -0.148 118.571 119.070 -0.585 0.000 2.293 367 H HA -0.091 4.486 4.556 0.035 0.000 0.300 367 H C 2.174 177.131 175.328 -0.618 0.000 1.082 367 H CA 1.675 57.231 56.048 -0.820 0.000 1.308 367 H CB -0.526 29.052 29.762 -0.306 0.000 1.375 367 H HN 0.189 nan 8.280 nan 0.000 0.495 368 E N 0.587 120.670 120.200 -0.196 0.000 2.086 368 E HA -0.255 4.116 4.350 0.035 0.000 0.200 368 E C 2.237 178.767 176.600 -0.117 0.000 1.012 368 E CA 1.956 58.289 56.400 -0.112 0.000 0.812 368 E CB -0.079 29.578 29.700 -0.071 0.000 0.743 368 E HN 0.656 nan 8.360 nan 0.000 0.453 369 c N 0.437 118.942 118.600 -0.159 0.000 2.476 369 c HA -0.053 4.538 4.570 0.035 0.000 0.278 369 c C 2.695 176.775 174.090 -0.017 0.000 1.274 369 c CA 0.435 56.714 56.329 -0.083 0.000 1.713 369 c CB -1.754 40.710 42.510 -0.077 0.000 2.039 369 c HN 0.612 nan 8.230 nan 0.000 0.484 370 Y N 2.249 122.539 120.300 -0.018 0.000 2.578 370 Y HA 0.543 5.114 4.550 0.035 0.000 0.297 370 Y C 2.069 178.016 175.900 0.079 0.000 1.176 370 Y CA -0.513 57.581 58.100 -0.010 0.000 1.315 370 Y CB -1.461 36.958 38.460 -0.069 0.000 1.031 370 Y HN 0.285 nan 8.280 nan 0.000 0.524 371 A N 1.473 124.432 122.820 0.231 0.000 2.015 371 A HA -0.083 4.259 4.320 0.035 0.000 0.219 371 A C 1.923 179.616 177.584 0.182 0.000 1.163 371 A CA 1.004 53.179 52.037 0.231 0.000 0.646 371 A CB -0.427 18.643 19.000 0.116 0.000 0.806 371 A HN 0.497 nan 8.150 nan 0.000 0.448 372 K N -0.099 120.370 120.400 0.116 0.000 2.476 372 K HA 0.231 4.572 4.320 0.035 0.000 0.196 372 K C 1.171 177.783 176.600 0.021 0.000 1.025 372 K CA 0.031 56.358 56.287 0.067 0.000 1.138 372 K CB 0.183 32.700 32.500 0.027 0.000 0.860 372 K HN 0.244 nan 8.250 nan 0.000 0.515 373 V N 0.571 120.509 119.914 0.040 0.000 2.255 373 V HA -0.235 3.906 4.120 0.035 0.000 0.247 373 V C 1.406 177.119 176.094 -0.635 0.000 1.051 373 V CA 1.804 63.966 62.300 -0.229 0.000 1.018 373 V CB -0.378 31.354 31.823 -0.152 0.000 0.641 373 V HN 0.290 nan 8.190 nan 0.000 0.445 374 F N -0.161 119.547 119.950 -0.403 0.000 2.795 374 F HA 0.038 4.586 4.527 0.036 0.000 0.303 374 F C 1.899 177.588 175.800 -0.184 0.000 1.186 374 F CA 0.639 58.376 58.000 -0.439 0.000 1.415 374 F CB -0.259 38.676 39.000 -0.107 0.000 1.106 374 F HN 0.204 nan 8.300 nan 0.000 0.558 375 D N 0.331 120.709 120.400 -0.037 0.000 2.259 375 D HA -0.083 4.578 4.640 0.035 0.000 0.216 375 D C 1.786 178.083 176.300 -0.005 0.000 0.961 375 D CA 0.739 54.748 54.000 0.015 0.000 0.878 375 D CB 0.162 40.976 40.800 0.024 0.000 1.009 375 D HN 0.297 nan 8.370 nan 0.000 0.490 376 E N -0.340 119.808 120.200 -0.086 0.000 2.267 376 E HA -0.164 4.207 4.350 0.035 0.000 0.197 376 E C 1.780 178.487 176.600 0.179 0.000 0.998 376 E CA 0.537 56.936 56.400 -0.001 0.000 0.830 376 E CB -0.056 29.623 29.700 -0.035 0.000 0.751 376 E HN 0.331 nan 8.360 nan 0.000 0.491 377 F N 1.167 121.111 119.950 -0.010 0.000 2.187 377 F HA -0.014 4.535 4.527 0.036 0.000 0.295 377 F C 2.116 177.918 175.800 0.004 0.000 1.091 377 F CA 0.594 58.584 58.000 -0.017 0.000 1.308 377 F CB -0.785 38.230 39.000 0.025 0.000 1.030 377 F HN -0.138 nan 8.300 nan 0.000 0.487 378 K N -0.066 120.473 120.400 0.231 0.000 2.089 378 K HA -0.204 4.137 4.320 0.035 0.000 0.210 378 K C -0.521 176.126 176.600 0.078 0.000 1.048 378 K CA 2.110 58.482 56.287 0.141 0.000 0.926 378 K CB -1.359 31.209 32.500 0.113 0.000 0.714 378 K HN 0.251 nan 8.250 nan 0.000 0.448 379 P HA -0.081 nan 4.420 nan 0.000 0.218 379 P C 1.138 178.442 177.300 0.006 0.000 1.152 379 P CA 0.985 64.103 63.100 0.031 0.000 0.826 379 P CB 0.056 31.774 31.700 0.029 0.000 0.790 380 L N -0.983 120.245 121.223 0.007 0.000 2.083 380 L HA -0.132 4.229 4.340 0.035 0.000 0.209 380 L C 2.343 179.154 176.870 -0.099 0.000 1.083 380 L CA 1.260 56.071 54.840 -0.049 0.000 0.752 380 L CB -1.098 40.920 42.059 -0.068 0.000 0.899 380 L HN -0.141 nan 8.230 nan 0.000 0.433 381 V N -0.420 119.441 119.914 -0.088 0.000 2.379 381 V HA -0.232 3.909 4.120 0.035 0.000 0.245 381 V C 2.404 178.436 176.094 -0.103 0.000 1.044 381 V CA 1.728 63.936 62.300 -0.154 0.000 1.036 381 V CB -0.399 31.361 31.823 -0.105 0.000 0.664 381 V HN 0.469 nan 8.190 nan 0.000 0.453 382 E N -0.322 119.854 120.200 -0.041 0.000 2.285 382 E HA -0.188 4.183 4.350 0.035 0.000 0.194 382 E C 2.178 178.763 176.600 -0.026 0.000 0.997 382 E CA 0.415 56.801 56.400 -0.022 0.000 0.845 382 E CB 0.129 29.831 29.700 0.004 0.000 0.782 382 E HN 0.496 nan 8.360 nan 0.000 0.491 383 E N 0.606 120.785 120.200 -0.035 0.000 2.017 383 E HA -0.118 4.253 4.350 0.035 0.000 0.193 383 E C -0.696 175.885 176.600 -0.031 0.000 0.997 383 E CA 1.298 57.681 56.400 -0.028 0.000 0.804 383 E CB -1.088 28.592 29.700 -0.032 0.000 0.757 383 E HN 0.287 nan 8.360 nan 0.000 0.448 384 P HA -0.120 nan 4.420 nan 0.000 0.216 384 P C 1.399 178.677 177.300 -0.037 0.000 1.150 384 P CA 1.481 64.550 63.100 -0.051 0.000 0.837 384 P CB -0.098 31.545 31.700 -0.095 0.000 0.786 385 Q N -0.559 119.214 119.800 -0.045 0.000 2.061 385 Q HA -0.208 4.153 4.340 0.035 0.000 0.204 385 Q C 2.002 178.000 176.000 -0.003 0.000 0.984 385 Q CA 1.823 57.611 55.803 -0.024 0.000 0.846 385 Q CB -0.557 28.168 28.738 -0.022 0.000 0.902 385 Q HN 0.442 nan 8.270 nan 0.000 0.421 386 N N 0.077 118.777 118.700 0.000 0.000 2.142 386 N HA -0.142 4.619 4.740 0.035 0.000 0.186 386 N C 1.802 177.324 175.510 0.021 0.000 1.023 386 N CA 0.633 53.691 53.050 0.012 0.000 0.852 386 N CB -0.084 38.410 38.487 0.011 0.000 0.998 386 N HN 0.103 nan 8.380 nan 0.000 0.424 387 L N 0.988 122.224 121.223 0.021 0.000 2.083 387 L HA -0.130 4.232 4.340 0.035 0.000 0.209 387 L C 1.693 178.594 176.870 0.051 0.000 1.083 387 L CA 1.173 56.036 54.840 0.039 0.000 0.752 387 L CB -0.118 41.964 42.059 0.038 0.000 0.899 387 L HN 0.169 nan 8.230 nan 0.000 0.433 388 I N -0.477 120.115 120.570 0.038 0.000 2.333 388 I HA -0.183 4.008 4.170 0.035 0.000 0.246 388 I C 2.374 178.512 176.117 0.035 0.000 1.106 388 I CA 1.157 62.480 61.300 0.039 0.000 1.411 388 I CB -1.201 36.813 38.000 0.024 0.000 1.082 388 I HN 0.223 nan 8.210 nan 0.000 0.420 389 K N 0.734 121.152 120.400 0.030 0.000 2.365 389 K HA -0.101 4.240 4.320 0.035 0.000 0.199 389 K C 2.085 178.706 176.600 0.036 0.000 1.045 389 K CA 0.801 57.106 56.287 0.029 0.000 0.962 389 K CB 0.009 32.524 32.500 0.025 0.000 0.759 389 K HN 0.279 nan 8.250 nan 0.000 0.469 390 Q N -0.380 119.447 119.800 0.045 0.000 2.123 390 Q HA 0.003 4.364 4.340 0.035 0.000 0.196 390 Q C 1.126 177.173 176.000 0.077 0.000 0.958 390 Q CA 1.022 56.858 55.803 0.056 0.000 0.841 390 Q CB 0.198 28.971 28.738 0.057 0.000 0.915 390 Q HN 0.302 nan 8.270 nan 0.000 0.455 391 N N -0.440 118.318 118.700 0.097 0.000 2.409 391 N HA -0.082 4.679 4.740 0.035 0.000 0.179 391 N C 1.477 177.005 175.510 0.028 0.000 1.032 391 N CA 0.638 53.776 53.050 0.146 0.000 0.898 391 N CB -0.220 38.408 38.487 0.234 0.000 0.971 391 N HN 0.247 nan 8.380 nan 0.000 0.441 392 c N 0.800 119.405 118.600 0.008 0.000 2.475 392 c HA 0.047 4.639 4.570 0.035 0.000 0.279 392 c C 2.611 176.724 174.090 0.038 0.000 1.322 392 c CA 0.077 56.402 56.329 -0.007 0.000 1.734 392 c CB -0.496 42.016 42.510 0.003 0.000 2.005 392 c HN 0.462 nan 8.230 nan 0.000 0.495 393 E N 0.860 121.078 120.200 0.029 0.000 2.077 393 E HA -0.200 4.171 4.350 0.035 0.000 0.193 393 E C 1.975 178.579 176.600 0.007 0.000 0.989 393 E CA 1.132 57.544 56.400 0.020 0.000 0.800 393 E CB -0.363 29.352 29.700 0.024 0.000 0.746 393 E HN 0.487 nan 8.360 nan 0.000 0.452 394 L N 0.688 121.930 121.223 0.031 0.000 2.353 394 L HA -0.099 4.262 4.340 0.035 0.000 0.220 394 L C 1.960 178.831 176.870 0.001 0.000 1.133 394 L CA 1.142 56.022 54.840 0.067 0.000 0.798 394 L CB -0.560 41.600 42.059 0.168 0.000 0.922 394 L HN 0.154 nan 8.230 nan 0.000 0.445 395 F N -0.324 119.398 119.950 -0.380 0.000 2.148 395 F HA 0.008 4.557 4.527 0.036 0.000 0.285 395 F C 2.246 177.892 175.800 -0.257 0.000 1.092 395 F CA 0.963 58.572 58.000 -0.652 0.000 1.218 395 F CB -0.306 38.083 39.000 -1.019 0.000 1.059 395 F HN -0.030 nan 8.300 nan 0.000 0.490 396 E N 0.811 120.729 120.200 -0.469 0.000 2.267 396 E HA -0.243 4.128 4.350 0.035 0.000 0.197 396 E C 2.058 178.454 176.600 -0.339 0.000 0.998 396 E CA 1.167 57.264 56.400 -0.505 0.000 0.830 396 E CB -0.429 29.193 29.700 -0.131 0.000 0.751 396 E HN 0.680 nan 8.360 nan 0.000 0.491 397 Q N -0.034 119.635 119.800 -0.218 0.000 1.993 397 Q HA -0.096 4.265 4.340 0.035 0.000 0.202 397 Q C 2.422 178.338 176.000 -0.139 0.000 0.984 397 Q CA 1.156 56.882 55.803 -0.128 0.000 0.837 397 Q CB -0.031 28.675 28.738 -0.054 0.000 0.902 397 Q HN 0.291 nan 8.270 nan 0.000 0.423 398 L N -1.113 120.020 121.223 -0.150 0.000 2.162 398 L HA 0.148 4.509 4.340 0.035 0.000 0.205 398 L C 1.042 177.857 176.870 -0.091 0.000 1.086 398 L CA 0.488 55.296 54.840 -0.054 0.000 0.778 398 L CB -0.311 41.796 42.059 0.080 0.000 0.928 398 L HN 0.362 nan 8.230 nan 0.000 0.446 399 G N 0.151 108.759 108.800 -0.320 0.000 2.690 399 G HA2 -0.223 3.759 3.960 0.035 0.000 0.686 399 G HA3 -0.223 3.759 3.960 0.035 0.000 0.686 399 G C 0.241 175.185 174.900 0.074 0.000 1.277 399 G CA -0.011 44.929 45.100 -0.268 0.000 0.799 399 G HN 0.212 nan 8.290 nan 0.000 0.613 400 E N -0.524 119.850 120.200 0.290 0.000 2.130 400 E HA -0.239 4.132 4.350 0.035 0.000 0.196 400 E C 1.851 178.695 176.600 0.407 0.000 0.998 400 E CA 2.216 58.938 56.400 0.536 0.000 0.806 400 E CB -0.076 29.878 29.700 0.424 0.000 0.738 400 E HN 0.651 nan 8.360 nan 0.000 0.459 401 Y N 1.197 121.615 120.300 0.196 0.000 2.114 401 Y HA -0.112 4.459 4.550 0.035 0.000 0.284 401 Y C 2.078 178.066 175.900 0.146 0.000 1.119 401 Y CA 1.785 59.972 58.100 0.146 0.000 1.108 401 Y CB -0.215 38.307 38.460 0.104 0.000 0.995 401 Y HN -0.171 nan 8.280 nan 0.000 0.491 402 K N -0.482 119.925 120.400 0.012 0.000 2.044 402 K HA -0.255 4.086 4.320 0.035 0.000 0.210 402 K C 2.037 178.633 176.600 -0.006 0.000 1.049 402 K CA 2.062 58.298 56.287 -0.086 0.000 0.927 402 K CB -0.744 31.803 32.500 0.078 0.000 0.713 402 K HN 0.382 nan 8.250 nan 0.000 0.443 403 F N 2.447 122.394 119.950 -0.005 0.000 2.333 403 F HA -0.156 4.392 4.527 0.035 0.000 0.300 403 F C 2.014 177.839 175.800 0.042 0.000 1.083 403 F CA 1.339 59.381 58.000 0.070 0.000 1.395 403 F CB -0.045 39.099 39.000 0.240 0.000 1.056 403 F HN 0.042 nan 8.300 nan 0.000 0.529 404 Q N -0.184 119.549 119.800 -0.112 0.000 2.245 404 Q HA -0.123 4.239 4.340 0.035 0.000 0.201 404 Q C 1.826 177.687 176.000 -0.231 0.000 0.955 404 Q CA 1.186 56.861 55.803 -0.214 0.000 0.870 404 Q CB -0.130 28.562 28.738 -0.076 0.000 0.945 404 Q HN 0.472 nan 8.270 nan 0.000 0.461 405 N N 0.314 118.868 118.700 -0.244 0.000 2.270 405 N HA -0.069 4.692 4.740 0.035 0.000 0.181 405 N C 1.600 177.037 175.510 -0.122 0.000 1.016 405 N CA 1.019 53.956 53.050 -0.189 0.000 0.870 405 N CB 0.002 38.348 38.487 -0.235 0.000 0.979 405 N HN 0.166 nan 8.380 nan 0.000 0.431 406 A N 1.446 124.189 122.820 -0.128 0.000 1.933 406 A HA -0.050 4.291 4.320 0.035 0.000 0.218 406 A C 2.359 179.875 177.584 -0.112 0.000 1.175 406 A CA 0.895 52.881 52.037 -0.086 0.000 0.628 406 A CB -0.588 18.392 19.000 -0.032 0.000 0.814 406 A HN 0.116 nan 8.150 nan 0.000 0.444 407 L N -0.739 120.349 121.223 -0.226 0.000 2.005 407 L HA -0.129 4.232 4.340 0.035 0.000 0.207 407 L C 2.526 179.384 176.870 -0.020 0.000 1.072 407 L CA 1.158 55.916 54.840 -0.136 0.000 0.744 407 L CB -0.559 41.318 42.059 -0.302 0.000 0.895 407 L HN 0.375 nan 8.230 nan 0.000 0.433 408 L N -1.144 120.033 121.223 -0.077 0.000 1.987 408 L HA -0.358 4.003 4.340 0.035 0.000 0.230 408 L C 2.536 179.418 176.870 0.020 0.000 1.089 408 L CA 1.642 56.465 54.840 -0.028 0.000 0.802 408 L CB -0.894 41.138 42.059 -0.046 0.000 0.905 408 L HN 0.045 nan 8.230 nan 0.000 0.441 409 V N -0.327 119.590 119.914 0.005 0.000 2.313 409 V HA -0.393 3.748 4.120 0.035 0.000 0.253 409 V C 2.775 178.886 176.094 0.027 0.000 1.070 409 V CA 2.515 64.826 62.300 0.019 0.000 1.057 409 V CB -0.518 31.310 31.823 0.009 0.000 0.653 409 V HN 0.490 nan 8.190 nan 0.000 0.450 410 R N -1.568 118.953 120.500 0.036 0.000 2.055 410 R HA -0.149 4.212 4.340 0.035 0.000 0.228 410 R C 2.289 178.584 176.300 -0.009 0.000 1.143 410 R CA 1.953 58.061 56.100 0.013 0.000 0.945 410 R CB -0.601 29.711 30.300 0.021 0.000 0.841 410 R HN 0.491 nan 8.270 nan 0.000 0.429 411 Y N 1.092 121.361 120.300 -0.053 0.000 2.274 411 Y HA -0.140 4.431 4.550 0.035 0.000 0.290 411 Y C 2.462 178.334 175.900 -0.047 0.000 1.145 411 Y CA 1.980 60.050 58.100 -0.050 0.000 1.203 411 Y CB -0.334 38.079 38.460 -0.078 0.000 0.984 411 Y HN 0.192 nan 8.280 nan 0.000 0.533 412 T N -0.113 114.498 114.554 0.094 0.000 2.622 412 T HA -0.221 4.151 4.350 0.035 0.000 0.266 412 T C 1.843 176.532 174.700 -0.018 0.000 1.047 412 T CA 1.844 63.963 62.100 0.032 0.000 1.159 412 T CB -0.241 68.649 68.868 0.037 0.000 0.863 412 T HN 0.258 nan 8.240 nan 0.000 0.422 413 K N 0.817 121.211 120.400 -0.011 0.000 2.057 413 K HA -0.077 4.264 4.320 0.035 0.000 0.207 413 K C 2.422 178.986 176.600 -0.060 0.000 1.049 413 K CA 1.106 57.377 56.287 -0.025 0.000 0.931 413 K CB -0.138 32.360 32.500 -0.004 0.000 0.714 413 K HN 0.220 nan 8.250 nan 0.000 0.440 414 K N 0.889 121.240 120.400 -0.081 0.000 2.001 414 K HA -0.142 4.199 4.320 0.035 0.000 0.214 414 K C 0.677 177.223 176.600 -0.090 0.000 1.050 414 K CA 1.711 57.929 56.287 -0.115 0.000 0.934 414 K CB 0.177 32.537 32.500 -0.233 0.000 0.718 414 K HN 0.105 nan 8.250 nan 0.000 0.443 415 V N -1.498 118.375 119.914 -0.069 0.000 2.361 415 V HA 0.317 4.458 4.120 0.035 0.000 0.252 415 V C -2.285 173.737 176.094 -0.120 0.000 0.986 415 V CA -1.351 60.909 62.300 -0.065 0.000 1.033 415 V CB 0.903 32.732 31.823 0.010 0.000 1.282 415 V HN 0.117 nan 8.190 nan 0.000 0.514 416 P HA -0.055 nan 4.420 nan 0.000 0.230 416 P C 1.189 178.235 177.300 -0.424 0.000 1.158 416 P CA 0.903 63.732 63.100 -0.452 0.000 0.769 416 P CB 0.548 31.680 31.700 -0.947 0.000 0.807 417 Q N -0.130 119.513 119.800 -0.261 0.000 2.170 417 Q HA -0.037 4.324 4.340 0.035 0.000 0.203 417 Q C 0.965 176.989 176.000 0.040 0.000 0.976 417 Q CA 0.641 56.418 55.803 -0.044 0.000 0.858 417 Q CB -1.076 27.691 28.738 0.048 0.000 0.907 417 Q HN 0.123 nan 8.270 nan 0.000 0.433 418 V N 1.656 121.601 119.914 0.051 0.000 2.872 418 V HA -0.007 4.134 4.120 0.035 0.000 0.307 418 V C 0.480 176.613 176.094 0.065 0.000 1.072 418 V CA -0.057 62.307 62.300 0.108 0.000 1.148 418 V CB 1.050 32.937 31.823 0.106 0.000 0.954 418 V HN 0.383 nan 8.190 nan 0.000 0.490 419 S N 2.729 118.467 115.700 0.063 0.000 2.549 419 S HA 0.036 4.527 4.470 0.035 0.000 0.283 419 S C 1.190 175.808 174.600 0.031 0.000 1.320 419 S CA 0.109 58.331 58.200 0.038 0.000 1.058 419 S CB 1.014 64.225 63.200 0.020 0.000 0.882 419 S HN 0.786 nan 8.310 nan 0.000 0.498 420 T N 4.700 119.273 114.554 0.031 0.000 2.665 420 T HA -0.069 4.302 4.350 0.035 0.000 0.268 420 T C -0.902 173.804 174.700 0.011 0.000 1.035 420 T CA 1.978 64.095 62.100 0.028 0.000 1.151 420 T CB -1.608 67.281 68.868 0.035 0.000 0.862 420 T HN 0.606 nan 8.240 nan 0.000 0.438 421 P HA -0.087 nan 4.420 nan 0.000 0.214 421 P C 1.718 179.012 177.300 -0.010 0.000 1.163 421 P CA 1.366 64.462 63.100 -0.007 0.000 0.889 421 P CB -0.357 31.336 31.700 -0.012 0.000 0.790 422 T N 0.153 114.704 114.554 -0.005 0.000 2.635 422 T HA -0.167 4.204 4.350 0.035 0.000 0.267 422 T C 1.798 176.481 174.700 -0.028 0.000 1.040 422 T CA 1.287 63.381 62.100 -0.010 0.000 1.156 422 T CB -1.129 67.750 68.868 0.018 0.000 0.863 422 T HN 0.044 nan 8.240 nan 0.000 0.430 423 L N 0.650 121.865 121.223 -0.013 0.000 2.013 423 L HA -0.132 4.229 4.340 0.035 0.000 0.212 423 L C 2.724 179.566 176.870 -0.047 0.000 1.073 423 L CA 1.156 55.980 54.840 -0.027 0.000 0.753 423 L CB -0.870 41.192 42.059 0.005 0.000 0.890 423 L HN 0.161 nan 8.230 nan 0.000 0.432 424 V N -0.229 119.670 119.914 -0.025 0.000 2.407 424 V HA -0.291 3.850 4.120 0.035 0.000 0.248 424 V C 2.458 178.530 176.094 -0.035 0.000 1.055 424 V CA 2.021 64.307 62.300 -0.022 0.000 1.049 424 V CB -0.371 31.451 31.823 -0.002 0.000 0.662 424 V HN 0.493 nan 8.190 nan 0.000 0.455 425 E N -0.287 119.889 120.200 -0.040 0.000 2.051 425 E HA -0.137 4.234 4.350 0.035 0.000 0.189 425 E C 2.246 178.798 176.600 -0.079 0.000 0.979 425 E CA 1.171 57.547 56.400 -0.041 0.000 0.803 425 E CB 0.088 29.768 29.700 -0.033 0.000 0.761 425 E HN 0.370 nan 8.360 nan 0.000 0.451 426 V N 0.672 120.514 119.914 -0.119 0.000 2.343 426 V HA -0.226 3.915 4.120 0.035 0.000 0.247 426 V C 2.288 178.227 176.094 -0.258 0.000 1.051 426 V CA 1.978 64.159 62.300 -0.197 0.000 1.036 426 V CB -0.316 31.365 31.823 -0.236 0.000 0.654 426 V HN 0.245 nan 8.190 nan 0.000 0.451 427 S N -0.866 114.685 115.700 -0.249 0.000 2.402 427 S HA -0.125 4.366 4.470 0.035 0.000 0.229 427 S C 2.071 176.566 174.600 -0.175 0.000 1.021 427 S CA 1.038 59.071 58.200 -0.278 0.000 0.974 427 S CB -0.261 62.807 63.200 -0.220 0.000 0.800 427 S HN 0.492 nan 8.310 nan 0.000 0.484 428 R N 1.419 121.859 120.500 -0.099 0.000 2.092 428 R HA 0.033 4.394 4.340 0.035 0.000 0.231 428 R C 1.708 178.008 176.300 -0.000 0.000 1.119 428 R CA 1.239 57.322 56.100 -0.028 0.000 0.970 428 R CB -0.203 30.102 30.300 0.008 0.000 0.864 428 R HN 0.322 nan 8.270 nan 0.000 0.440 429 N N 0.475 119.155 118.700 -0.033 0.000 2.300 429 N HA -0.065 4.696 4.740 0.035 0.000 0.179 429 N C 1.807 177.303 175.510 -0.023 0.000 1.016 429 N CA 0.835 53.888 53.050 0.005 0.000 0.876 429 N CB -0.046 38.409 38.487 -0.053 0.000 0.979 429 N HN 0.173 nan 8.380 nan 0.000 0.432 430 L N 0.136 121.267 121.223 -0.152 0.000 2.093 430 L HA -0.034 4.327 4.340 0.035 0.000 0.208 430 L C 2.194 179.050 176.870 -0.024 0.000 1.085 430 L CA 1.281 56.007 54.840 -0.190 0.000 0.755 430 L CB -0.554 41.283 42.059 -0.370 0.000 0.904 430 L HN 0.199 nan 8.230 nan 0.000 0.435 431 G N -1.007 107.776 108.800 -0.027 0.000 2.712 431 G HA2 -0.124 3.857 3.960 0.035 0.000 0.212 431 G HA3 -0.124 3.857 3.960 0.035 0.000 0.212 431 G C 1.555 176.614 174.900 0.265 0.000 1.142 431 G CA -0.082 45.084 45.100 0.109 0.000 0.789 431 G HN 0.235 nan 8.290 nan 0.000 0.535 432 K N 0.083 120.604 120.400 0.202 0.000 2.442 432 K HA 0.069 4.410 4.320 0.035 0.000 0.198 432 K C 2.322 178.983 176.600 0.101 0.000 1.042 432 K CA 0.159 56.547 56.287 0.169 0.000 0.958 432 K CB 0.020 32.631 32.500 0.185 0.000 0.766 432 K HN 0.196 nan 8.250 nan 0.000 0.474 433 V N 0.795 120.857 119.914 0.246 0.000 2.332 433 V HA -0.197 3.944 4.120 0.035 0.000 0.248 433 V C 2.032 178.052 176.094 -0.123 0.000 1.055 433 V CA 2.378 64.763 62.300 0.141 0.000 1.038 433 V CB -0.544 31.456 31.823 0.295 0.000 0.651 433 V HN 0.490 nan 8.190 nan 0.000 0.450 434 G N -1.167 107.486 108.800 -0.244 0.000 2.462 434 G HA2 -0.225 3.756 3.960 0.035 0.000 0.220 434 G HA3 -0.225 3.756 3.960 0.035 0.000 0.220 434 G C 1.711 175.904 174.900 -1.180 0.000 1.121 434 G CA 1.187 45.711 45.100 -0.960 0.000 0.758 434 G HN 0.578 nan 8.290 nan 0.000 0.559 435 S N 0.279 115.635 115.700 -0.573 0.000 2.329 435 S HA -0.005 4.486 4.470 0.035 0.000 0.215 435 S C 2.122 176.592 174.600 -0.217 0.000 1.031 435 S CA 1.073 59.116 58.200 -0.262 0.000 0.985 435 S CB -0.209 62.955 63.200 -0.059 0.000 0.917 435 S HN 0.332 nan 8.310 nan 0.000 0.441 436 K N -0.191 120.086 120.400 -0.205 0.000 2.296 436 K HA 0.097 4.438 4.320 0.035 0.000 0.200 436 K C 1.854 178.381 176.600 -0.122 0.000 1.048 436 K CA 0.655 56.836 56.287 -0.177 0.000 0.966 436 K CB -0.072 32.307 32.500 -0.202 0.000 0.754 436 K HN 0.348 nan 8.250 nan 0.000 0.466 437 c N -0.941 117.595 118.600 -0.107 0.000 2.487 437 c HA 0.042 4.633 4.570 0.035 0.000 0.311 437 c C 2.534 176.630 174.090 0.011 0.000 1.367 437 c CA -0.293 56.056 56.329 0.033 0.000 1.865 437 c CB -0.317 42.200 42.510 0.011 0.000 2.277 437 c HN 0.545 nan 8.230 nan 0.000 0.521 438 c N 1.042 119.570 118.600 -0.119 0.000 2.432 438 c HA -0.057 4.534 4.570 0.035 0.000 0.282 438 c C 2.654 176.721 174.090 -0.039 0.000 1.388 438 c CA 0.937 57.221 56.329 -0.076 0.000 1.777 438 c CB -1.138 41.296 42.510 -0.127 0.000 1.882 438 c HN 0.609 nan 8.230 nan 0.000 0.520 439 K N 1.125 121.459 120.400 -0.110 0.000 2.113 439 K HA -0.118 4.223 4.320 0.035 0.000 0.208 439 K C 1.070 177.576 176.600 -0.157 0.000 1.047 439 K CA 1.377 57.574 56.287 -0.150 0.000 0.928 439 K CB -0.573 31.771 32.500 -0.260 0.000 0.716 439 K HN 0.580 nan 8.250 nan 0.000 0.446 440 H N 0.275 119.335 119.070 -0.018 0.000 2.639 440 H HA 0.135 4.712 4.556 0.035 0.000 0.373 440 H C -1.989 173.338 175.328 -0.002 0.000 1.372 440 H CA -1.263 54.779 56.048 -0.010 0.000 1.448 440 H CB -0.119 29.634 29.762 -0.015 0.000 1.544 440 H HN 0.204 nan 8.280 nan 0.000 0.615 441 P HA 0.149 nan 4.420 nan 0.000 0.285 441 P C 0.347 177.689 177.300 0.070 0.000 1.269 441 P CA -0.497 62.653 63.100 0.084 0.000 0.844 441 P CB 1.337 33.075 31.700 0.063 0.000 1.094 442 E N 1.236 121.465 120.200 0.049 0.000 2.169 442 E HA -0.288 4.083 4.350 0.035 0.000 0.202 442 E C 1.892 178.511 176.600 0.031 0.000 1.016 442 E CA 2.006 58.429 56.400 0.038 0.000 0.817 442 E CB -0.524 29.197 29.700 0.034 0.000 0.736 442 E HN 0.549 nan 8.360 nan 0.000 0.462 443 A N 0.657 123.495 122.820 0.031 0.000 2.093 443 A HA -0.246 4.095 4.320 0.035 0.000 0.222 443 A C 1.657 179.238 177.584 -0.004 0.000 1.162 443 A CA 1.718 53.769 52.037 0.023 0.000 0.655 443 A CB -0.121 18.890 19.000 0.019 0.000 0.805 443 A HN 0.144 nan 8.150 nan 0.000 0.461 444 K N -2.424 117.957 120.400 -0.031 0.000 2.517 444 K HA 0.195 4.536 4.320 0.035 0.000 0.210 444 K C 1.527 178.074 176.600 -0.089 0.000 1.166 444 K CA -0.282 55.934 56.287 -0.118 0.000 1.030 444 K CB 0.592 32.904 32.500 -0.315 0.000 0.974 444 K HN 0.294 nan 8.250 nan 0.000 0.585 445 R N 1.090 121.590 120.500 -0.001 0.000 2.072 445 R HA 0.055 4.416 4.340 0.035 0.000 0.221 445 R C 2.210 178.517 176.300 0.011 0.000 1.166 445 R CA 1.170 57.288 56.100 0.030 0.000 0.917 445 R CB -0.313 30.012 30.300 0.041 0.000 0.815 445 R HN 0.082 nan 8.270 nan 0.000 0.444 446 M N 1.715 121.318 119.600 0.005 0.000 2.113 446 M HA -0.132 4.369 4.480 0.035 0.000 0.255 446 M C -1.002 175.287 176.300 -0.017 0.000 1.073 446 M CA 2.169 57.465 55.300 -0.008 0.000 1.091 446 M CB -1.679 30.906 32.600 -0.025 0.000 1.309 446 M HN -0.046 nan 8.290 nan 0.000 0.407 447 P HA -0.173 nan 4.420 nan 0.000 0.214 447 P C 2.083 179.381 177.300 -0.003 0.000 1.163 447 P CA 2.011 65.095 63.100 -0.027 0.000 0.889 447 P CB -0.758 30.932 31.700 -0.017 0.000 0.790 448 c N 0.062 118.657 118.600 -0.008 0.000 2.385 448 c HA -0.177 4.415 4.570 0.035 0.000 0.275 448 c C 2.996 177.131 174.090 0.074 0.000 1.207 448 c CA 2.123 58.460 56.329 0.014 0.000 1.760 448 c CB -1.697 40.816 42.510 0.006 0.000 2.051 448 c HN 0.291 nan 8.230 nan 0.000 0.467 449 A N -0.150 122.712 122.820 0.071 0.000 1.841 449 A HA -0.136 4.206 4.320 0.035 0.000 0.214 449 A C 2.046 179.693 177.584 0.105 0.000 1.195 449 A CA 2.009 54.112 52.037 0.110 0.000 0.611 449 A CB -1.059 17.985 19.000 0.073 0.000 0.835 449 A HN 0.688 nan 8.150 nan 0.000 0.443 450 E N 0.605 120.836 120.200 0.051 0.000 2.130 450 E HA -0.216 4.155 4.350 0.035 0.000 0.196 450 E C 1.301 177.929 176.600 0.048 0.000 0.998 450 E CA 1.952 58.367 56.400 0.026 0.000 0.806 450 E CB -0.254 29.433 29.700 -0.022 0.000 0.738 450 E HN 0.586 nan 8.360 nan 0.000 0.459 451 D N -1.188 119.258 120.400 0.076 0.000 2.162 451 D HA -0.122 4.540 4.640 0.035 0.000 0.203 451 D C 1.627 178.020 176.300 0.155 0.000 0.967 451 D CA 0.766 54.840 54.000 0.123 0.000 0.840 451 D CB -0.406 40.464 40.800 0.117 0.000 0.972 451 D HN 0.276 nan 8.370 nan 0.000 0.482 452 Y N 1.957 122.269 120.300 0.020 0.000 2.163 452 Y HA -0.096 4.475 4.550 0.035 0.000 0.288 452 Y C 2.143 178.036 175.900 -0.011 0.000 1.136 452 Y CA 1.079 59.181 58.100 0.004 0.000 1.147 452 Y CB -0.573 37.888 38.460 0.001 0.000 0.987 452 Y HN -0.133 nan 8.280 nan 0.000 0.509 453 L N -0.803 120.333 121.223 -0.144 0.000 2.191 453 L HA -0.218 4.143 4.340 0.035 0.000 0.212 453 L C 2.767 179.534 176.870 -0.173 0.000 1.103 453 L CA 1.470 56.169 54.840 -0.235 0.000 0.769 453 L CB -0.839 41.164 42.059 -0.095 0.000 0.908 453 L HN 0.216 nan 8.230 nan 0.000 0.438 454 S N -0.246 115.417 115.700 -0.062 0.000 2.370 454 S HA -0.155 4.337 4.470 0.035 0.000 0.226 454 S C 1.941 176.483 174.600 -0.095 0.000 1.033 454 S CA 1.440 59.634 58.200 -0.010 0.000 1.011 454 S CB -0.074 63.210 63.200 0.141 0.000 0.852 454 S HN 0.210 nan 8.310 nan 0.000 0.457 455 V N 1.090 120.922 119.914 -0.137 0.000 2.379 455 V HA -0.051 4.090 4.120 0.035 0.000 0.245 455 V C 2.396 178.351 176.094 -0.233 0.000 1.044 455 V CA 1.536 63.734 62.300 -0.170 0.000 1.036 455 V CB -0.466 31.291 31.823 -0.110 0.000 0.664 455 V HN 0.423 nan 8.190 nan 0.000 0.453 456 V N -0.394 119.297 119.914 -0.370 0.000 2.667 456 V HA -0.139 4.002 4.120 0.035 0.000 0.252 456 V C 2.118 178.027 176.094 -0.307 0.000 1.065 456 V CA 1.457 63.527 62.300 -0.384 0.000 1.083 456 V CB -0.367 31.116 31.823 -0.566 0.000 0.692 456 V HN 0.433 nan 8.190 nan 0.000 0.468 457 L N -0.066 120.988 121.223 -0.281 0.000 2.341 457 L HA -0.010 4.351 4.340 0.035 0.000 0.214 457 L C 2.299 179.060 176.870 -0.183 0.000 1.115 457 L CA 0.892 55.556 54.840 -0.293 0.000 0.820 457 L CB -0.400 41.491 42.059 -0.279 0.000 0.944 457 L HN 0.386 nan 8.230 nan 0.000 0.452 458 N N 0.147 118.766 118.700 -0.136 0.000 2.106 458 N HA -0.249 4.512 4.740 0.035 0.000 0.188 458 N C 1.858 177.310 175.510 -0.097 0.000 1.029 458 N CA 1.314 54.309 53.050 -0.091 0.000 0.848 458 N CB 0.000 38.420 38.487 -0.112 0.000 1.007 458 N HN 0.186 nan 8.380 nan 0.000 0.423 459 Q N -0.422 119.303 119.800 -0.125 0.000 2.082 459 Q HA -0.243 4.118 4.340 0.035 0.000 0.211 459 Q C 1.944 177.890 176.000 -0.091 0.000 1.002 459 Q CA 1.963 57.701 55.803 -0.109 0.000 0.868 459 Q CB -0.368 28.296 28.738 -0.123 0.000 0.931 459 Q HN 0.450 nan 8.270 nan 0.000 0.414 460 L N 0.370 121.516 121.223 -0.127 0.000 1.989 460 L HA -0.207 4.154 4.340 0.035 0.000 0.211 460 L C 2.349 179.216 176.870 -0.005 0.000 1.071 460 L CA 2.000 56.778 54.840 -0.103 0.000 0.749 460 L CB -1.166 40.758 42.059 -0.226 0.000 0.890 460 L HN 0.396 nan 8.230 nan 0.000 0.431 461 c N -1.088 117.516 118.600 0.006 0.000 2.429 461 c HA -0.125 4.466 4.570 0.035 0.000 0.277 461 c C 2.864 177.001 174.090 0.078 0.000 1.262 461 c CA 1.087 57.470 56.329 0.090 0.000 1.733 461 c CB -1.105 41.471 42.510 0.110 0.000 2.010 461 c HN 0.650 nan 8.230 nan 0.000 0.483 462 V N -0.918 119.004 119.914 0.013 0.000 2.548 462 V HA -0.061 4.080 4.120 0.035 0.000 0.249 462 V C 2.010 178.106 176.094 0.003 0.000 1.055 462 V CA 1.702 63.993 62.300 -0.015 0.000 1.065 462 V CB -0.890 30.879 31.823 -0.090 0.000 0.681 462 V HN 0.575 nan 8.190 nan 0.000 0.462 463 L N -0.246 120.985 121.223 0.013 0.000 2.156 463 L HA -0.048 4.313 4.340 0.035 0.000 0.208 463 L C 2.700 179.598 176.870 0.047 0.000 1.095 463 L CA 1.935 56.785 54.840 0.017 0.000 0.770 463 L CB -0.596 41.467 42.059 0.006 0.000 0.914 463 L HN 0.442 nan 8.230 nan 0.000 0.439 464 H N -0.208 118.858 119.070 -0.006 0.000 2.403 464 H HA -0.161 4.416 4.556 0.035 0.000 0.298 464 H C 2.177 177.509 175.328 0.008 0.000 1.059 464 H CA 1.451 57.505 56.048 0.010 0.000 1.363 464 H CB 0.331 30.115 29.762 0.038 0.000 1.410 464 H HN 0.254 nan 8.280 nan 0.000 0.528 465 E N 0.581 120.827 120.200 0.078 0.000 2.209 465 E HA -0.252 4.119 4.350 0.035 0.000 0.196 465 E C 2.051 178.624 176.600 -0.043 0.000 0.993 465 E CA 1.116 57.528 56.400 0.020 0.000 0.819 465 E CB 0.017 29.735 29.700 0.030 0.000 0.745 465 E HN 0.447 nan 8.360 nan 0.000 0.477 466 K N -0.042 120.326 120.400 -0.052 0.000 1.965 466 K HA -0.098 4.243 4.320 0.035 0.000 0.218 466 K C 0.080 176.622 176.600 -0.097 0.000 1.048 466 K CA 1.876 58.124 56.287 -0.065 0.000 0.960 466 K CB -0.090 32.378 32.500 -0.052 0.000 0.732 466 K HN 0.060 nan 8.250 nan 0.000 0.444 467 T N 2.509 116.981 114.554 -0.136 0.000 2.963 467 T HA 0.374 4.745 4.350 0.035 0.000 0.343 467 T C -2.670 171.856 174.700 -0.290 0.000 1.146 467 T CA -1.958 60.048 62.100 -0.157 0.000 1.016 467 T CB 1.493 70.294 68.868 -0.113 0.000 1.046 467 T HN 0.090 nan 8.240 nan 0.000 0.496 468 P HA 0.285 nan 4.420 nan 0.000 0.271 468 P C 0.296 177.458 177.300 -0.230 0.000 1.216 468 P CA -0.389 62.482 63.100 -0.381 0.000 0.771 468 P CB 1.005 32.632 31.700 -0.122 0.000 0.864 469 V N 0.212 120.016 119.914 -0.183 0.000 3.294 469 V HA 0.110 4.251 4.120 0.035 0.000 0.255 469 V C 0.803 176.993 176.094 0.159 0.000 1.528 469 V CA 0.315 62.633 62.300 0.030 0.000 1.086 469 V CB 0.486 32.339 31.823 0.050 0.000 0.906 469 V HN 0.564 nan 8.190 nan 0.000 0.433 470 S N 0.585 116.488 115.700 0.337 0.000 2.681 470 S HA 0.365 4.856 4.470 0.035 0.000 0.299 470 S C 0.302 174.999 174.600 0.162 0.000 1.113 470 S CA 0.068 58.391 58.200 0.205 0.000 1.013 470 S CB 1.957 65.213 63.200 0.095 0.000 1.076 470 S HN 0.413 nan 8.310 nan 0.000 0.534 471 D N 1.170 121.611 120.400 0.068 0.000 2.324 471 D HA 0.192 4.853 4.640 0.035 0.000 0.212 471 D C 1.768 178.065 176.300 -0.006 0.000 0.984 471 D CA 0.279 54.302 54.000 0.037 0.000 0.885 471 D CB 0.092 40.905 40.800 0.022 0.000 0.996 471 D HN 0.436 nan 8.370 nan 0.000 0.505 472 R N 0.551 121.027 120.500 -0.040 0.000 2.112 472 R HA 0.137 4.498 4.340 0.035 0.000 0.216 472 R C 2.040 178.238 176.300 -0.169 0.000 1.080 472 R CA 0.252 56.290 56.100 -0.103 0.000 0.996 472 R CB -0.245 29.994 30.300 -0.102 0.000 0.902 472 R HN 0.016 nan 8.270 nan 0.000 0.449 473 V N 0.666 120.489 119.914 -0.151 0.000 2.261 473 V HA -0.240 3.901 4.120 0.035 0.000 0.246 473 V C 1.948 177.981 176.094 -0.100 0.000 1.047 473 V CA 2.246 64.448 62.300 -0.164 0.000 1.015 473 V CB -0.566 30.982 31.823 -0.457 0.000 0.642 473 V HN 0.349 nan 8.190 nan 0.000 0.446 474 T N -0.698 113.836 114.554 -0.033 0.000 2.946 474 T HA -0.226 4.145 4.350 0.035 0.000 0.271 474 T C 1.858 176.567 174.700 0.015 0.000 1.104 474 T CA 1.759 63.902 62.100 0.071 0.000 1.114 474 T CB -0.152 68.795 68.868 0.133 0.000 0.867 474 T HN 0.507 nan 8.240 nan 0.000 0.513 475 K N 0.059 120.428 120.400 -0.052 0.000 2.029 475 K HA -0.015 4.326 4.320 0.035 0.000 0.205 475 K C 2.466 179.000 176.600 -0.109 0.000 1.042 475 K CA 1.027 57.272 56.287 -0.071 0.000 0.949 475 K CB -0.439 32.004 32.500 -0.096 0.000 0.740 475 K HN 0.225 nan 8.250 nan 0.000 0.442 476 c N 0.965 119.403 118.600 -0.270 0.000 2.403 476 c HA -0.166 4.425 4.570 0.035 0.000 0.277 476 c C 2.877 176.912 174.090 -0.091 0.000 1.248 476 c CA 0.701 56.798 56.329 -0.387 0.000 1.762 476 c CB -1.052 40.714 42.510 -1.240 0.000 2.014 476 c HN 0.676 nan 8.230 nan 0.000 0.486 477 c N 0.502 119.122 118.600 0.033 0.000 2.453 477 c HA -0.075 4.516 4.570 0.035 0.000 0.277 477 c C 2.809 177.038 174.090 0.233 0.000 1.262 477 c CA 1.879 58.315 56.329 0.178 0.000 1.718 477 c CB -1.607 41.015 42.510 0.186 0.000 2.031 477 c HN 0.806 nan 8.230 nan 0.000 0.480 478 T N -1.253 113.397 114.554 0.160 0.000 3.067 478 T HA -0.033 4.338 4.350 0.035 0.000 0.257 478 T C 1.490 176.316 174.700 0.210 0.000 1.105 478 T CA 0.934 63.140 62.100 0.177 0.000 1.104 478 T CB -0.252 68.654 68.868 0.062 0.000 0.925 478 T HN 0.669 nan 8.240 nan 0.000 0.498 479 E N 1.573 121.855 120.200 0.136 0.000 2.072 479 E HA -0.033 4.338 4.350 0.035 0.000 0.191 479 E C 0.371 177.055 176.600 0.140 0.000 0.985 479 E CA 0.848 57.306 56.400 0.095 0.000 0.801 479 E CB 0.174 29.883 29.700 0.016 0.000 0.750 479 E HN 0.440 nan 8.360 nan 0.000 0.452 480 S N -0.870 114.904 115.700 0.122 0.000 2.511 480 S HA 0.051 4.542 4.470 0.035 0.000 0.283 480 S C 0.049 174.541 174.600 -0.181 0.000 1.078 480 S CA -0.687 57.520 58.200 0.012 0.000 0.994 480 S CB 0.679 63.873 63.200 -0.009 0.000 1.171 480 S HN 0.223 nan 8.310 nan 0.000 0.444 481 L N 6.080 126.938 121.223 -0.608 0.000 2.081 481 L HA -0.027 4.334 4.340 0.035 0.000 0.212 481 L C 2.205 178.942 176.870 -0.222 0.000 1.080 481 L CA 2.990 57.399 54.840 -0.719 0.000 0.754 481 L CB -0.497 40.796 42.059 -1.278 0.000 0.893 481 L HN 0.935 nan 8.230 nan 0.000 0.433 482 V N -4.234 115.588 119.914 -0.154 0.000 3.235 482 V HA 0.021 4.162 4.120 0.035 0.000 0.259 482 V C 1.564 177.614 176.094 -0.073 0.000 1.133 482 V CA 1.214 63.464 62.300 -0.083 0.000 1.128 482 V CB -1.184 30.543 31.823 -0.160 0.000 0.757 482 V HN 0.499 nan 8.190 nan 0.000 0.469 483 N N 0.602 119.260 118.700 -0.070 0.000 2.413 483 N HA 0.152 4.913 4.740 0.035 0.000 0.207 483 N C 1.552 177.056 175.510 -0.009 0.000 1.206 483 N CA -0.142 52.880 53.050 -0.047 0.000 0.832 483 N CB 0.086 38.543 38.487 -0.050 0.000 1.037 483 N HN 0.519 nan 8.380 nan 0.000 0.467 484 R N 0.739 121.259 120.500 0.034 0.000 2.052 484 R HA 0.039 4.400 4.340 0.035 0.000 0.226 484 R C 2.283 178.736 176.300 0.256 0.000 1.145 484 R CA 0.665 56.849 56.100 0.141 0.000 0.952 484 R CB -0.096 30.314 30.300 0.183 0.000 0.847 484 R HN 0.138 nan 8.270 nan 0.000 0.431 485 R N 0.852 121.458 120.500 0.176 0.000 2.096 485 R HA -0.070 4.292 4.340 0.035 0.000 0.235 485 R C -0.906 175.480 176.300 0.143 0.000 1.127 485 R CA 1.274 57.479 56.100 0.176 0.000 0.968 485 R CB -0.962 29.385 30.300 0.079 0.000 0.861 485 R HN 0.154 nan 8.270 nan 0.000 0.440 486 P HA -0.065 nan 4.420 nan 0.000 0.221 486 P C 1.497 178.804 177.300 0.011 0.000 1.150 486 P CA 0.712 63.830 63.100 0.029 0.000 0.800 486 P CB -0.243 31.452 31.700 -0.008 0.000 0.787 487 c N -1.724 116.874 118.600 -0.003 0.000 2.466 487 c HA -0.034 4.557 4.570 0.035 0.000 0.278 487 c C 2.356 176.346 174.090 -0.168 0.000 1.288 487 c CA 0.456 56.717 56.329 -0.113 0.000 1.722 487 c CB -2.063 40.325 42.510 -0.204 0.000 2.017 487 c HN 0.051 nan 8.230 nan 0.000 0.488 488 F N 1.275 121.208 119.950 -0.028 0.000 2.325 488 F HA 0.027 4.574 4.527 0.034 0.000 0.299 488 F C 2.443 178.187 175.800 -0.093 0.000 1.090 488 F CA 1.317 59.289 58.000 -0.047 0.000 1.392 488 F CB -0.284 38.736 39.000 0.034 0.000 1.053 488 F HN 0.077 nan 8.300 nan 0.000 0.521 489 S N -0.343 115.427 115.700 0.116 0.000 2.763 489 S HA 0.382 4.874 4.470 0.035 0.000 0.237 489 S C 1.186 175.780 174.600 -0.009 0.000 0.966 489 S CA 0.500 58.721 58.200 0.035 0.000 1.017 489 S CB -0.237 62.996 63.200 0.055 0.000 0.780 489 S HN 0.294 nan 8.310 nan 0.000 0.476 490 A N 0.592 123.391 122.820 -0.036 0.000 2.661 490 A HA 0.431 4.772 4.320 0.035 0.000 0.278 490 A C 0.075 177.616 177.584 -0.071 0.000 1.090 490 A CA -0.313 51.694 52.037 -0.051 0.000 0.969 490 A CB 0.400 19.369 19.000 -0.051 0.000 1.240 490 A HN 0.405 nan 8.150 nan 0.000 0.578 491 L N 1.631 122.802 121.223 -0.088 0.000 2.261 491 L HA 0.407 4.769 4.340 0.035 0.000 0.289 491 L C 0.315 177.132 176.870 -0.088 0.000 1.059 491 L CA -0.459 54.324 54.840 -0.096 0.000 0.816 491 L CB 1.145 43.135 42.059 -0.115 0.000 1.191 491 L HN 0.311 nan 8.230 nan 0.000 0.431 492 E N 2.177 122.337 120.200 -0.067 0.000 2.371 492 E HA 0.145 4.516 4.350 0.035 0.000 0.257 492 E C -0.395 176.172 176.600 -0.055 0.000 1.134 492 E CA -0.398 55.968 56.400 -0.055 0.000 0.919 492 E CB 1.428 31.107 29.700 -0.037 0.000 1.025 492 E HN 0.259 nan 8.360 nan 0.000 0.438 493 V N 2.550 122.436 119.914 -0.045 0.000 2.790 493 V HA -0.103 4.038 4.120 0.035 0.000 0.304 493 V C -0.176 175.908 176.094 -0.017 0.000 1.142 493 V CA 0.680 62.961 62.300 -0.031 0.000 1.282 493 V CB 0.612 32.427 31.823 -0.014 0.000 0.877 493 V HN 0.755 nan 8.190 nan 0.000 0.504 494 D N 4.150 124.545 120.400 -0.008 0.000 2.253 494 D HA 0.359 5.020 4.640 0.035 0.000 0.249 494 D C 0.407 176.732 176.300 0.043 0.000 1.049 494 D CA -0.294 53.712 54.000 0.011 0.000 0.929 494 D CB 1.477 42.282 40.800 0.009 0.000 1.176 494 D HN 0.681 nan 8.370 nan 0.000 0.437 495 E N 1.120 121.346 120.200 0.044 0.000 2.526 495 E HA 0.087 4.458 4.350 0.035 0.000 0.208 495 E C 0.864 177.502 176.600 0.063 0.000 0.997 495 E CA 0.198 56.628 56.400 0.051 0.000 0.961 495 E CB 0.511 30.229 29.700 0.029 0.000 1.030 495 E HN 0.419 nan 8.360 nan 0.000 0.483 496 T N -0.090 114.514 114.554 0.083 0.000 3.051 496 T HA -0.018 4.353 4.350 0.035 0.000 0.255 496 T C 0.495 175.271 174.700 0.128 0.000 1.085 496 T CA -0.029 62.122 62.100 0.085 0.000 1.109 496 T CB -0.120 68.794 68.868 0.077 0.000 0.921 496 T HN 0.102 nan 8.240 nan 0.000 0.488 497 Y N 2.912 123.219 120.300 0.013 0.000 2.442 497 Y HA 0.368 4.939 4.550 0.035 0.000 0.330 497 Y C -0.098 175.811 175.900 0.016 0.000 1.129 497 Y CA -1.622 56.488 58.100 0.017 0.000 1.365 497 Y CB 0.566 39.041 38.460 0.024 0.000 1.233 497 Y HN -0.094 nan 8.280 nan 0.000 0.529 498 V N 9.994 129.602 119.914 -0.509 0.000 2.304 498 V HA 0.449 4.590 4.120 0.035 0.000 0.269 498 V C -2.452 173.150 176.094 -0.820 0.000 1.036 498 V CA -2.086 59.931 62.300 -0.471 0.000 0.840 498 V CB 0.199 31.885 31.823 -0.229 0.000 1.036 498 V HN 0.756 nan 8.190 nan 0.000 0.466 499 P HA 0.320 nan 4.420 nan 0.000 0.278 499 P C -0.962 176.173 177.300 -0.276 0.000 1.238 499 P CA -0.474 62.308 63.100 -0.529 0.000 0.794 499 P CB 0.641 32.240 31.700 -0.169 0.000 0.955 500 K N 1.907 122.187 120.400 -0.200 0.000 2.312 500 K HA 0.016 4.358 4.320 0.035 0.000 0.287 500 K C 1.145 177.574 176.600 -0.286 0.000 1.062 500 K CA -0.090 56.094 56.287 -0.172 0.000 0.934 500 K CB 0.503 32.948 32.500 -0.092 0.000 1.027 500 K HN 0.327 nan 8.250 nan 0.000 0.478 501 E N 4.133 124.239 120.200 -0.156 0.000 2.012 501 E HA -0.133 4.238 4.350 0.035 0.000 0.197 501 E C -0.643 175.961 176.600 0.007 0.000 1.007 501 E CA 1.637 57.991 56.400 -0.077 0.000 0.816 501 E CB 0.080 29.797 29.700 0.029 0.000 0.762 501 E HN 0.530 nan 8.360 nan 0.000 0.451 502 F N -0.818 119.098 119.950 -0.057 0.000 2.615 502 F HA 0.409 4.958 4.527 0.035 0.000 0.312 502 F C -1.706 174.211 175.800 0.195 0.000 1.119 502 F CA -0.952 57.176 58.000 0.215 0.000 0.979 502 F CB 1.444 40.574 39.000 0.216 0.000 1.266 502 F HN -0.146 nan 8.300 nan 0.000 0.444 503 N N 4.556 123.112 118.700 -0.239 0.000 2.609 503 N HA 0.406 5.167 4.740 0.035 0.000 0.268 503 N C 0.116 175.053 175.510 -0.956 0.000 1.106 503 N CA -0.294 52.437 53.050 -0.533 0.000 0.823 503 N CB 1.950 40.297 38.487 -0.233 0.000 1.263 503 N HN 0.640 nan 8.380 nan 0.000 0.533 504 A N 1.377 123.558 122.820 -1.065 0.000 2.015 504 A HA -0.111 4.230 4.320 0.035 0.000 0.219 504 A C 1.662 179.041 177.584 -0.342 0.000 1.163 504 A CA 1.077 52.707 52.037 -0.678 0.000 0.646 504 A CB -0.064 18.721 19.000 -0.358 0.000 0.806 504 A HN 0.619 nan 8.150 nan 0.000 0.448 505 E N -0.717 119.273 120.200 -0.351 0.000 2.371 505 E HA -0.057 4.314 4.350 0.035 0.000 0.194 505 E C 1.539 177.975 176.600 -0.274 0.000 1.012 505 E CA 0.983 57.260 56.400 -0.204 0.000 0.860 505 E CB -0.115 29.499 29.700 -0.144 0.000 0.811 505 E HN 0.596 nan 8.360 nan 0.000 0.502 506 T N 0.473 114.673 114.554 -0.589 0.000 2.867 506 T HA -0.090 4.282 4.350 0.035 0.000 0.268 506 T C 1.232 175.679 174.700 -0.422 0.000 1.057 506 T CA 0.997 62.719 62.100 -0.630 0.000 1.136 506 T CB -0.139 68.134 68.868 -0.991 0.000 0.874 506 T HN 0.215 nan 8.240 nan 0.000 0.466 507 F N 1.547 121.436 119.950 -0.101 0.000 2.678 507 F HA 0.231 4.779 4.527 0.035 0.000 0.305 507 F C 0.950 176.698 175.800 -0.088 0.000 1.090 507 F CA -0.696 57.082 58.000 -0.370 0.000 1.272 507 F CB 0.088 38.632 39.000 -0.760 0.000 1.060 507 F HN -0.017 nan 8.300 nan 0.000 0.576 508 T N -1.192 113.532 114.554 0.283 0.000 2.770 508 T HA 0.433 4.804 4.350 0.035 0.000 0.297 508 T C -0.115 174.946 174.700 0.600 0.000 0.997 508 T CA -0.608 61.745 62.100 0.422 0.000 0.949 508 T CB 0.619 69.653 68.868 0.276 0.000 0.941 508 T HN -0.157 nan 8.240 nan 0.000 0.457 509 F N 1.703 121.888 119.950 0.391 0.000 2.123 509 F HA 0.538 5.087 4.527 0.036 0.000 0.257 509 F C 1.557 177.338 175.800 -0.032 0.000 0.967 509 F CA -0.991 57.157 58.000 0.245 0.000 1.152 509 F CB 0.023 39.245 39.000 0.370 0.000 1.869 509 F HN 0.642 nan 8.300 nan 0.000 0.562 510 H N -2.430 116.458 119.070 -0.303 0.000 2.948 510 H HA 0.444 5.021 4.556 0.035 0.000 0.315 510 H C 0.109 174.761 175.328 -1.126 0.000 1.360 510 H CA -0.029 55.514 56.048 -0.842 0.000 1.125 510 H CB 2.009 31.561 29.762 -0.349 0.000 1.844 510 H HN 0.391 nan 8.280 nan 0.000 0.529 511 A N 0.241 122.647 122.820 -0.690 0.000 2.169 511 A HA -0.098 4.243 4.320 0.035 0.000 0.212 511 A C 1.424 178.967 177.584 -0.067 0.000 1.153 511 A CA 1.354 53.236 52.037 -0.259 0.000 0.756 511 A CB -0.407 18.578 19.000 -0.025 0.000 0.813 511 A HN 0.687 nan 8.150 nan 0.000 0.471 512 D N 0.226 120.589 120.400 -0.062 0.000 2.218 512 D HA -0.162 4.499 4.640 0.035 0.000 0.204 512 D C 1.507 177.787 176.300 -0.033 0.000 0.976 512 D CA 0.816 54.788 54.000 -0.045 0.000 0.853 512 D CB -0.592 40.161 40.800 -0.079 0.000 0.939 512 D HN 0.456 nan 8.370 nan 0.000 0.481 513 I N 0.082 120.628 120.570 -0.040 0.000 2.614 513 I HA -0.140 4.051 4.170 0.035 0.000 0.258 513 I C 0.636 176.781 176.117 0.046 0.000 1.189 513 I CA 0.477 61.778 61.300 0.002 0.000 1.462 513 I CB 0.114 38.134 38.000 0.032 0.000 1.092 513 I HN 0.053 nan 8.210 nan 0.000 0.442 514 c N 0.996 119.631 118.600 0.059 0.000 2.305 514 c HA 0.184 4.775 4.570 0.035 0.000 0.361 514 c C 1.511 175.629 174.090 0.047 0.000 1.312 514 c CA 0.431 56.805 56.329 0.075 0.000 1.705 514 c CB -2.131 40.446 42.510 0.111 0.000 1.882 514 c HN 0.637 nan 8.230 nan 0.000 0.587 515 T N -3.314 111.258 114.554 0.030 0.000 3.567 515 T HA 0.437 4.808 4.350 0.035 0.000 0.314 515 T C -0.260 174.451 174.700 0.017 0.000 0.942 515 T CA -0.097 62.017 62.100 0.022 0.000 0.997 515 T CB -0.280 68.598 68.868 0.016 0.000 1.205 515 T HN 0.286 nan 8.240 nan 0.000 0.518 516 L N 1.477 122.711 121.223 0.019 0.000 2.327 516 L HA 0.752 5.114 4.340 0.035 0.000 0.258 516 L C 0.430 177.313 176.870 0.021 0.000 1.024 516 L CA -1.419 53.430 54.840 0.016 0.000 0.825 516 L CB 2.208 44.270 42.059 0.006 0.000 1.386 516 L HN 0.290 nan 8.230 nan 0.000 0.417 517 S N -0.953 114.760 115.700 0.021 0.000 2.580 517 S HA 0.006 4.497 4.470 0.035 0.000 0.266 517 S C 0.777 175.392 174.600 0.024 0.000 1.354 517 S CA -0.113 58.101 58.200 0.024 0.000 1.008 517 S CB 1.267 64.483 63.200 0.028 0.000 0.898 517 S HN 0.736 nan 8.310 nan 0.000 0.555 518 E N 1.454 121.666 120.200 0.020 0.000 2.077 518 E HA -0.161 4.210 4.350 0.035 0.000 0.193 518 E C 1.714 178.326 176.600 0.020 0.000 0.989 518 E CA 1.810 58.217 56.400 0.013 0.000 0.800 518 E CB -0.339 29.361 29.700 0.000 0.000 0.746 518 E HN 0.751 nan 8.360 nan 0.000 0.452 519 K N 0.221 120.641 120.400 0.032 0.000 2.009 519 K HA -0.165 4.176 4.320 0.035 0.000 0.210 519 K C 2.323 178.951 176.600 0.047 0.000 1.049 519 K CA 1.767 58.083 56.287 0.048 0.000 0.929 519 K CB -0.191 32.340 32.500 0.052 0.000 0.714 519 K HN 0.223 nan 8.250 nan 0.000 0.440 520 E N 0.275 120.495 120.200 0.034 0.000 2.085 520 E HA -0.230 4.141 4.350 0.035 0.000 0.194 520 E C 2.202 178.813 176.600 0.018 0.000 0.994 520 E CA 0.944 57.358 56.400 0.022 0.000 0.801 520 E CB -0.047 29.661 29.700 0.013 0.000 0.743 520 E HN 0.210 nan 8.360 nan 0.000 0.453 521 R N 1.055 121.571 120.500 0.027 0.000 2.080 521 R HA -0.219 4.143 4.340 0.035 0.000 0.236 521 R C 2.342 178.681 176.300 0.065 0.000 1.137 521 R CA 1.821 57.946 56.100 0.040 0.000 0.943 521 R CB -0.055 30.274 30.300 0.049 0.000 0.846 521 R HN 0.200 nan 8.270 nan 0.000 0.431 522 Q N 0.029 119.872 119.800 0.071 0.000 2.077 522 Q HA -0.200 4.161 4.340 0.035 0.000 0.206 522 Q C 2.228 178.317 176.000 0.148 0.000 0.989 522 Q CA 2.041 57.927 55.803 0.138 0.000 0.853 522 Q CB -0.184 28.640 28.738 0.144 0.000 0.907 522 Q HN 0.449 nan 8.270 nan 0.000 0.418 523 I N 0.607 121.231 120.570 0.089 0.000 2.335 523 I HA -0.289 3.902 4.170 0.035 0.000 0.251 523 I C 2.306 178.436 176.117 0.022 0.000 1.129 523 I CA 0.977 62.311 61.300 0.057 0.000 1.402 523 I CB -0.180 37.840 38.000 0.033 0.000 1.069 523 I HN 0.087 nan 8.210 nan 0.000 0.424 524 K N 1.026 121.419 120.400 -0.011 0.000 2.007 524 K HA -0.099 4.242 4.320 0.035 0.000 0.206 524 K C 2.067 178.633 176.600 -0.055 0.000 1.047 524 K CA 1.179 57.402 56.287 -0.106 0.000 0.937 524 K CB -0.335 32.036 32.500 -0.214 0.000 0.718 524 K HN 0.282 nan 8.250 nan 0.000 0.438 525 K N 1.169 121.616 120.400 0.079 0.000 2.052 525 K HA -0.241 4.100 4.320 0.035 0.000 0.215 525 K C 2.301 179.026 176.600 0.208 0.000 1.053 525 K CA 1.863 58.301 56.287 0.251 0.000 0.934 525 K CB -0.150 32.545 32.500 0.326 0.000 0.717 525 K HN 0.261 nan 8.250 nan 0.000 0.450 526 Q N -0.339 119.556 119.800 0.158 0.000 2.172 526 Q HA -0.082 4.279 4.340 0.035 0.000 0.200 526 Q C 2.071 178.117 176.000 0.078 0.000 0.964 526 Q CA 1.472 57.343 55.803 0.113 0.000 0.855 526 Q CB 0.050 28.843 28.738 0.092 0.000 0.918 526 Q HN 0.342 nan 8.270 nan 0.000 0.444 527 T N 0.939 115.524 114.554 0.051 0.000 2.708 527 T HA -0.177 4.194 4.350 0.035 0.000 0.266 527 T C 1.960 176.700 174.700 0.067 0.000 1.037 527 T CA 1.288 63.407 62.100 0.032 0.000 1.146 527 T CB -0.351 68.508 68.868 -0.015 0.000 0.865 527 T HN 0.392 nan 8.240 nan 0.000 0.435 528 A N 1.276 124.147 122.820 0.086 0.000 1.940 528 A HA -0.054 4.287 4.320 0.035 0.000 0.219 528 A C 2.278 179.968 177.584 0.177 0.000 1.176 528 A CA 1.527 53.672 52.037 0.179 0.000 0.631 528 A CB -0.858 18.292 19.000 0.250 0.000 0.814 528 A HN 0.434 nan 8.150 nan 0.000 0.446 529 L N -0.276 121.036 121.223 0.148 0.000 2.017 529 L HA -0.113 4.248 4.340 0.035 0.000 0.208 529 L C 2.369 179.290 176.870 0.086 0.000 1.073 529 L CA 1.984 56.891 54.840 0.112 0.000 0.745 529 L CB -0.510 41.610 42.059 0.101 0.000 0.894 529 L HN 0.133 nan 8.230 nan 0.000 0.432 530 V N 0.265 120.230 119.914 0.086 0.000 2.287 530 V HA -0.276 3.865 4.120 0.035 0.000 0.248 530 V C 2.583 178.750 176.094 0.121 0.000 1.053 530 V CA 2.175 64.524 62.300 0.082 0.000 1.027 530 V CB -0.686 31.176 31.823 0.065 0.000 0.646 530 V HN 0.542 nan 8.190 nan 0.000 0.447 531 E N -0.541 119.752 120.200 0.154 0.000 2.208 531 E HA -0.101 4.270 4.350 0.035 0.000 0.193 531 E C 2.203 178.924 176.600 0.201 0.000 0.988 531 E CA 0.728 57.269 56.400 0.235 0.000 0.828 531 E CB -0.052 29.798 29.700 0.250 0.000 0.763 531 E HN 0.507 nan 8.360 nan 0.000 0.478 532 L N 0.642 121.896 121.223 0.052 0.000 2.109 532 L HA -0.114 4.247 4.340 0.035 0.000 0.207 532 L C 2.408 179.293 176.870 0.025 0.000 1.086 532 L CA 0.578 55.318 54.840 -0.167 0.000 0.760 532 L CB -0.080 41.853 42.059 -0.210 0.000 0.910 532 L HN -0.010 nan 8.230 nan 0.000 0.437 533 V N -0.206 119.757 119.914 0.081 0.000 2.407 533 V HA -0.266 3.875 4.120 0.035 0.000 0.248 533 V C 2.361 178.566 176.094 0.184 0.000 1.055 533 V CA 1.427 63.791 62.300 0.107 0.000 1.049 533 V CB -0.571 31.299 31.823 0.079 0.000 0.662 533 V HN 0.392 nan 8.190 nan 0.000 0.455 534 K N -0.710 119.840 120.400 0.251 0.000 2.442 534 K HA -0.145 4.196 4.320 0.035 0.000 0.198 534 K C 1.912 178.792 176.600 0.467 0.000 1.044 534 K CA 1.035 57.536 56.287 0.357 0.000 0.948 534 K CB -0.217 32.497 32.500 0.355 0.000 0.762 534 K HN 0.574 nan 8.250 nan 0.000 0.472 535 H N 0.119 119.304 119.070 0.192 0.000 2.355 535 H HA 0.082 4.659 4.556 0.035 0.000 0.303 535 H C 0.494 175.895 175.328 0.121 0.000 1.061 535 H CA 0.929 57.077 56.048 0.166 0.000 1.368 535 H CB 0.221 30.087 29.762 0.173 0.000 1.412 535 H HN -0.098 nan 8.280 nan 0.000 0.523 536 K N 0.899 121.437 120.400 0.230 0.000 2.575 536 K HA 0.209 4.550 4.320 0.035 0.000 0.236 536 K C -2.391 174.284 176.600 0.125 0.000 0.976 536 K CA -1.759 54.614 56.287 0.142 0.000 0.985 536 K CB 1.646 34.204 32.500 0.097 0.000 1.198 536 K HN -0.075 nan 8.250 nan 0.000 0.464 537 P HA -0.076 nan 4.420 nan 0.000 0.220 537 P C -0.086 177.259 177.300 0.075 0.000 1.152 537 P CA 0.744 63.912 63.100 0.113 0.000 0.812 537 P CB 0.352 32.145 31.700 0.155 0.000 0.792 538 K N 0.310 120.752 120.400 0.070 0.000 2.822 538 K HA 0.291 4.632 4.320 0.035 0.000 0.237 538 K C 0.786 177.408 176.600 0.037 0.000 1.128 538 K CA 0.046 56.361 56.287 0.047 0.000 1.317 538 K CB -0.903 31.622 32.500 0.042 0.000 1.759 538 K HN -0.118 nan 8.250 nan 0.000 0.520 539 A N 1.930 124.767 122.820 0.029 0.000 2.524 539 A HA 0.075 4.416 4.320 0.035 0.000 0.271 539 A C -0.608 176.989 177.584 0.022 0.000 1.097 539 A CA 0.646 52.695 52.037 0.021 0.000 0.791 539 A CB -0.925 18.084 19.000 0.015 0.000 1.028 539 A HN 0.510 nan 8.150 nan 0.000 0.518 540 T N 2.236 116.802 114.554 0.020 0.000 3.867 540 T HA 0.232 4.603 4.350 0.035 0.000 0.308 540 T C -0.123 174.586 174.700 0.015 0.000 0.716 540 T CA -1.050 61.062 62.100 0.019 0.000 1.031 540 T CB 0.532 69.416 68.868 0.028 0.000 1.062 540 T HN 0.581 nan 8.240 nan 0.000 0.482 541 K N 1.948 122.354 120.400 0.010 0.000 3.015 541 K HA 0.198 4.539 4.320 0.035 0.000 0.340 541 K C 1.921 178.527 176.600 0.010 0.000 1.002 541 K CA 0.078 56.370 56.287 0.010 0.000 1.190 541 K CB 0.062 32.566 32.500 0.007 0.000 1.241 541 K HN 0.698 nan 8.250 nan 0.000 0.507 542 E N 1.221 121.427 120.200 0.010 0.000 2.160 542 E HA -0.282 4.090 4.350 0.035 0.000 0.195 542 E C 1.691 178.295 176.600 0.007 0.000 0.991 542 E CA 1.993 58.400 56.400 0.011 0.000 0.810 542 E CB -0.714 28.993 29.700 0.012 0.000 0.742 542 E HN 0.532 nan 8.360 nan 0.000 0.466 543 Q N 0.982 120.783 119.800 0.000 0.000 2.318 543 Q HA -0.287 4.074 4.340 0.035 0.000 0.216 543 Q C 2.089 178.083 176.000 -0.011 0.000 1.004 543 Q CA 2.112 57.910 55.803 -0.009 0.000 0.932 543 Q CB -1.047 27.683 28.738 -0.014 0.000 0.946 543 Q HN 0.469 nan 8.270 nan 0.000 0.419 544 L N 0.718 121.941 121.223 0.000 0.000 2.450 544 L HA -0.125 4.236 4.340 0.035 0.000 0.224 544 L C 2.658 179.540 176.870 0.020 0.000 1.149 544 L CA 1.376 56.221 54.840 0.009 0.000 0.816 544 L CB -0.436 41.633 42.059 0.016 0.000 0.932 544 L HN 0.290 nan 8.230 nan 0.000 0.449 545 K N 0.530 120.940 120.400 0.017 0.000 1.973 545 K HA -0.167 4.174 4.320 0.035 0.000 0.210 545 K C 2.239 178.851 176.600 0.020 0.000 1.045 545 K CA 1.270 57.574 56.287 0.028 0.000 0.937 545 K CB -0.178 32.338 32.500 0.026 0.000 0.721 545 K HN 0.188 nan 8.250 nan 0.000 0.438 546 A N 0.879 123.695 122.820 -0.006 0.000 1.859 546 A HA -0.197 4.144 4.320 0.035 0.000 0.218 546 A C 2.273 179.814 177.584 -0.072 0.000 1.209 546 A CA 2.411 54.428 52.037 -0.034 0.000 0.639 546 A CB -1.128 17.844 19.000 -0.047 0.000 0.835 546 A HN 0.231 nan 8.150 nan 0.000 0.450 547 V N -0.994 118.863 119.914 -0.094 0.000 2.626 547 V HA -0.227 3.914 4.120 0.035 0.000 0.252 547 V C 2.492 178.521 176.094 -0.109 0.000 1.067 547 V CA 2.161 64.346 62.300 -0.192 0.000 1.081 547 V CB -0.696 31.021 31.823 -0.178 0.000 0.686 547 V HN 0.624 nan 8.190 nan 0.000 0.468 548 M N 0.476 120.101 119.600 0.043 0.000 2.288 548 M HA -0.043 4.458 4.480 0.035 0.000 0.266 548 M C 1.513 177.898 176.300 0.143 0.000 1.072 548 M CA 1.500 56.898 55.300 0.164 0.000 1.132 548 M CB -0.578 32.115 32.600 0.155 0.000 1.386 548 M HN 0.241 nan 8.290 nan 0.000 0.432 549 D N 0.563 121.004 120.400 0.069 0.000 2.123 549 D HA -0.179 4.482 4.640 0.035 0.000 0.196 549 D C 1.563 177.883 176.300 0.034 0.000 0.992 549 D CA 1.480 55.519 54.000 0.064 0.000 0.833 549 D CB -0.305 40.513 40.800 0.029 0.000 0.954 549 D HN 0.423 nan 8.370 nan 0.000 0.455 550 D N -0.335 120.016 120.400 -0.083 0.000 2.091 550 D HA -0.102 4.560 4.640 0.035 0.000 0.199 550 D C 1.865 178.056 176.300 -0.183 0.000 0.980 550 D CA 0.591 54.471 54.000 -0.200 0.000 0.831 550 D CB -0.446 40.096 40.800 -0.430 0.000 0.987 550 D HN 0.203 nan 8.370 nan 0.000 0.460 551 F N 1.264 121.116 119.950 -0.165 0.000 2.494 551 F HA -0.029 4.520 4.527 0.036 0.000 0.298 551 F C 2.238 178.114 175.800 0.128 0.000 1.106 551 F CA 0.323 58.157 58.000 -0.277 0.000 1.452 551 F CB -0.455 38.440 39.000 -0.175 0.000 1.085 551 F HN -0.064 nan 8.300 nan 0.000 0.569 552 A N -0.834 122.208 122.820 0.370 0.000 1.963 552 A HA 0.395 4.736 4.320 0.035 0.000 0.207 552 A C 2.280 180.023 177.584 0.265 0.000 1.243 552 A CA 0.740 52.994 52.037 0.362 0.000 0.728 552 A CB -0.922 18.258 19.000 0.300 0.000 0.895 552 A HN 0.173 nan 8.150 nan 0.000 0.467 553 A N -0.116 122.828 122.820 0.207 0.000 1.929 553 A HA 0.061 4.402 4.320 0.035 0.000 0.216 553 A C 1.986 179.653 177.584 0.138 0.000 1.176 553 A CA 1.310 53.427 52.037 0.133 0.000 0.628 553 A CB -0.925 18.125 19.000 0.084 0.000 0.816 553 A HN 1.001 nan 8.150 nan 0.000 0.444 554 F N 0.085 120.004 119.950 -0.052 0.000 2.408 554 F HA -0.075 4.473 4.527 0.035 0.000 0.300 554 F C 1.559 177.316 175.800 -0.072 0.000 1.090 554 F CA 1.128 59.076 58.000 -0.086 0.000 1.427 554 F CB -0.478 38.446 39.000 -0.126 0.000 1.070 554 F HN -0.013 nan 8.300 nan 0.000 0.549 555 V N 1.558 121.186 119.914 -0.476 0.000 2.287 555 V HA -0.265 3.876 4.120 0.035 0.000 0.248 555 V C 2.503 178.477 176.094 -0.199 0.000 1.053 555 V CA 2.191 64.251 62.300 -0.401 0.000 1.027 555 V CB -0.757 31.088 31.823 0.036 0.000 0.646 555 V HN 0.369 nan 8.190 nan 0.000 0.447 556 E N 0.367 120.517 120.200 -0.085 0.000 2.097 556 E HA -0.282 4.089 4.350 0.035 0.000 0.196 556 E C 2.166 178.711 176.600 -0.092 0.000 1.000 556 E CA 1.432 57.803 56.400 -0.049 0.000 0.804 556 E CB -0.359 29.334 29.700 -0.011 0.000 0.740 556 E HN 0.584 nan 8.360 nan 0.000 0.454 557 K N 0.428 120.749 120.400 -0.131 0.000 2.009 557 K HA -0.145 4.197 4.320 0.035 0.000 0.210 557 K C 2.187 178.658 176.600 -0.215 0.000 1.049 557 K CA 1.749 57.949 56.287 -0.144 0.000 0.929 557 K CB -0.119 32.306 32.500 -0.125 0.000 0.714 557 K HN 0.147 nan 8.250 nan 0.000 0.440 558 c N -0.130 118.241 118.600 -0.382 0.000 2.485 558 c HA 0.025 4.616 4.570 0.035 0.000 0.277 558 c C 2.861 176.801 174.090 -0.251 0.000 1.376 558 c CA -0.241 55.770 56.329 -0.530 0.000 1.759 558 c CB -0.779 40.938 42.510 -1.322 0.000 1.970 558 c HN 0.653 nan 8.230 nan 0.000 0.509 559 c N 0.874 119.416 118.600 -0.096 0.000 2.442 559 c HA -0.107 4.484 4.570 0.035 0.000 0.279 559 c C 1.797 175.888 174.090 0.002 0.000 1.237 559 c CA 1.054 57.405 56.329 0.037 0.000 1.722 559 c CB -1.153 41.387 42.510 0.050 0.000 2.056 559 c HN 0.571 nan 8.230 nan 0.000 0.469 560 K N 0.975 121.358 120.400 -0.029 0.000 3.277 560 K HA 0.291 4.632 4.320 0.035 0.000 0.280 560 K C 0.565 177.139 176.600 -0.044 0.000 1.182 560 K CA 0.112 56.384 56.287 -0.025 0.000 1.219 560 K CB -0.077 32.409 32.500 -0.023 0.000 1.373 560 K HN 0.504 nan 8.250 nan 0.000 0.392 561 A N 0.805 123.594 122.820 -0.051 0.000 2.508 561 A HA 0.071 4.412 4.320 0.035 0.000 0.250 561 A C -0.338 177.227 177.584 -0.031 0.000 1.208 561 A CA -0.331 51.668 52.037 -0.064 0.000 0.960 561 A CB 0.357 19.280 19.000 -0.128 0.000 1.099 561 A HN 0.468 nan 8.150 nan 0.000 0.542 562 D N 1.865 122.261 120.400 -0.006 0.000 2.697 562 D HA -0.137 4.524 4.640 0.035 0.000 0.235 562 D C -0.537 175.771 176.300 0.014 0.000 1.167 562 D CA 1.741 55.746 54.000 0.009 0.000 0.656 562 D CB -1.033 39.769 40.800 0.003 0.000 1.025 562 D HN 0.856 nan 8.370 nan 0.000 0.419 563 D N -1.635 118.781 120.400 0.027 0.000 2.596 563 D HA 0.227 4.888 4.640 0.035 0.000 0.262 563 D C -0.275 176.066 176.300 0.068 0.000 1.210 563 D CA -0.855 53.166 54.000 0.035 0.000 0.873 563 D CB 1.293 42.102 40.800 0.016 0.000 1.408 563 D HN -0.298 nan 8.370 nan 0.000 0.441 564 K N 0.955 121.394 120.400 0.066 0.000 2.758 564 K HA 0.164 4.505 4.320 0.035 0.000 0.250 564 K C -0.378 176.284 176.600 0.104 0.000 1.268 564 K CA -0.244 56.091 56.287 0.080 0.000 1.228 564 K CB -0.562 31.973 32.500 0.058 0.000 1.715 564 K HN 0.575 nan 8.250 nan 0.000 0.334 565 E N -0.648 119.653 120.200 0.168 0.000 2.476 565 E HA -0.227 4.145 4.350 0.035 0.000 0.251 565 E C 0.110 176.803 176.600 0.155 0.000 1.130 565 E CA 0.752 57.297 56.400 0.241 0.000 0.736 565 E CB -1.639 28.139 29.700 0.130 0.000 1.298 565 E HN 0.380 nan 8.360 nan 0.000 0.400 566 T N -0.899 113.713 114.554 0.097 0.000 2.735 566 T HA -0.156 4.215 4.350 0.035 0.000 0.256 566 T C 2.168 176.891 174.700 0.038 0.000 1.042 566 T CA 1.353 63.486 62.100 0.056 0.000 1.147 566 T CB -0.302 68.583 68.868 0.029 0.000 0.865 566 T HN 0.707 nan 8.240 nan 0.000 0.421 567 c N 0.887 119.468 118.600 -0.031 0.000 2.432 567 c HA 0.087 4.678 4.570 0.035 0.000 0.280 567 c C 2.305 176.346 174.090 -0.083 0.000 1.353 567 c CA -0.207 56.063 56.329 -0.098 0.000 1.766 567 c CB -2.159 40.222 42.510 -0.214 0.000 1.924 567 c HN 0.328 nan 8.230 nan 0.000 0.509 568 F N 2.447 122.401 119.950 0.007 0.000 2.216 568 F HA 0.075 4.624 4.527 0.036 0.000 0.300 568 F C 2.678 178.499 175.800 0.035 0.000 1.085 568 F CA 1.552 59.561 58.000 0.015 0.000 1.326 568 F CB -0.628 38.307 39.000 -0.108 0.000 1.027 568 F HN 0.306 nan 8.300 nan 0.000 0.497 569 A N -1.307 121.620 122.820 0.179 0.000 2.251 569 A HA 0.079 4.420 4.320 0.035 0.000 0.209 569 A C 1.744 179.394 177.584 0.111 0.000 1.187 569 A CA 0.850 52.962 52.037 0.124 0.000 0.823 569 A CB -0.134 18.920 19.000 0.089 0.000 0.846 569 A HN 0.259 nan 8.150 nan 0.000 0.486 570 E N -1.170 119.093 120.200 0.105 0.000 3.155 570 E HA 0.004 4.375 4.350 0.035 0.000 0.208 570 E C 1.158 177.809 176.600 0.084 0.000 1.060 570 E CA 0.278 56.727 56.400 0.082 0.000 1.522 570 E CB -0.337 29.395 29.700 0.053 0.000 1.433 570 E HN 0.636 nan 8.360 nan 0.000 0.709 571 E N 1.146 121.393 120.200 0.078 0.000 2.409 571 E HA -0.042 4.329 4.350 0.035 0.000 0.198 571 E C 1.746 178.443 176.600 0.163 0.000 1.024 571 E CA 0.813 57.266 56.400 0.088 0.000 0.861 571 E CB 0.038 29.771 29.700 0.055 0.000 0.788 571 E HN 0.205 nan 8.360 nan 0.000 0.521 572 G N 1.242 110.188 108.800 0.243 0.000 2.494 572 G HA2 -0.183 3.798 3.960 0.035 0.000 0.216 572 G HA3 -0.183 3.798 3.960 0.035 0.000 0.216 572 G C 1.550 176.545 174.900 0.158 0.000 1.140 572 G CA 0.106 45.352 45.100 0.243 0.000 0.801 572 G HN 0.031 nan 8.290 nan 0.000 0.536 573 K N 0.725 121.215 120.400 0.149 0.000 2.365 573 K HA 0.101 4.443 4.320 0.035 0.000 0.199 573 K C 2.344 178.989 176.600 0.076 0.000 1.045 573 K CA 0.426 56.792 56.287 0.133 0.000 0.962 573 K CB 0.108 32.679 32.500 0.117 0.000 0.759 573 K HN 0.054 nan 8.250 nan 0.000 0.469 574 K N 0.268 120.687 120.400 0.033 0.000 2.148 574 K HA 0.008 4.350 4.320 0.035 0.000 0.204 574 K C 1.671 178.225 176.600 -0.076 0.000 1.050 574 K CA 0.982 57.258 56.287 -0.020 0.000 0.942 574 K CB -0.027 32.455 32.500 -0.030 0.000 0.724 574 K HN 0.230 nan 8.250 nan 0.000 0.446 575 L N 0.935 122.088 121.223 -0.116 0.000 2.375 575 L HA -0.017 4.344 4.340 0.035 0.000 0.215 575 L C 2.266 179.069 176.870 -0.112 0.000 1.108 575 L CA 0.251 54.923 54.840 -0.281 0.000 0.830 575 L CB -0.575 41.102 42.059 -0.638 0.000 0.959 575 L HN -0.108 nan 8.230 nan 0.000 0.457 576 V N -2.375 117.607 119.914 0.112 0.000 2.626 576 V HA -0.057 4.084 4.120 0.035 0.000 0.252 576 V C 2.531 178.619 176.094 -0.010 0.000 1.067 576 V CA 1.452 63.874 62.300 0.202 0.000 1.081 576 V CB -0.892 31.163 31.823 0.387 0.000 0.686 576 V HN 0.257 nan 8.190 nan 0.000 0.468 577 A N 0.587 123.386 122.820 -0.036 0.000 1.968 577 A HA 0.306 4.647 4.320 0.035 0.000 0.217 577 A C 2.404 179.926 177.584 -0.103 0.000 1.169 577 A CA 1.627 53.618 52.037 -0.077 0.000 0.638 577 A CB -0.779 18.190 19.000 -0.052 0.000 0.812 577 A HN 0.899 nan 8.150 nan 0.000 0.446 578 A N 0.134 122.875 122.820 -0.131 0.000 2.014 578 A HA 0.014 4.355 4.320 0.035 0.000 0.218 578 A C 2.290 179.768 177.584 -0.177 0.000 1.163 578 A CA 1.850 53.785 52.037 -0.169 0.000 0.652 578 A CB -0.574 18.283 19.000 -0.238 0.000 0.808 578 A HN 0.942 nan 8.150 nan 0.000 0.449 579 S N -2.160 113.440 115.700 -0.168 0.000 2.575 579 S HA 0.071 4.562 4.470 0.035 0.000 0.215 579 S C 1.666 176.194 174.600 -0.120 0.000 0.966 579 S CA 0.500 58.612 58.200 -0.146 0.000 0.911 579 S CB 0.179 63.322 63.200 -0.095 0.000 0.780 579 S HN 0.456 nan 8.310 nan 0.000 0.514 580 Q N 1.004 120.730 119.800 -0.124 0.000 2.389 580 Q HA 0.408 4.770 4.340 0.035 0.000 0.201 580 Q C 2.289 178.240 176.000 -0.081 0.000 0.956 580 Q CA 1.271 57.005 55.803 -0.114 0.000 0.871 580 Q CB -0.334 28.296 28.738 -0.179 0.000 0.990 580 Q HN 0.552 nan 8.270 nan 0.000 0.554 581 A N 1.226 123.997 122.820 -0.083 0.000 1.858 581 A HA 0.180 4.522 4.320 0.035 0.000 0.216 581 A C 1.305 178.855 177.584 -0.057 0.000 1.190 581 A CA 1.495 53.495 52.037 -0.063 0.000 0.617 581 A CB -0.652 18.311 19.000 -0.062 0.000 0.827 581 A HN 0.374 nan 8.150 nan 0.000 0.443 582 A N 0.000 122.779 122.820 -0.069 0.000 2.254 582 A HA 0.000 4.341 4.320 0.035 0.000 0.244 582 A CA 0.000 51.998 52.037 -0.065 0.000 0.836 582 A CB 0.000 18.956 19.000 -0.074 0.000 0.831 582 A HN 0.000 nan 8.150 nan 0.000 0.486