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 2hau_1_B DATA FIRST_RESID 4 DATA SEQUENCE KTVRWcAVSE HEATKcQSFR DHXKSVIPSD GPSVAcVKKA SYLDcIRAIA DATA SEQUENCE ANEADAVTLD AGLVYDAYLA PNNLKPVVAE FYGSKEDPQT FYYAVAVVKK DATA SEQUENCE DSGFQXNQLR GKKScHTGLG RSAGWNIPIG LLYcDLPEPR KPLEKAVANF DATA SEQUENCE FSGScAPcAD GTDFPQLcQL cPGcGcSTLN QYFGYSGAFK cLKDGAGDVA DATA SEQUENCE FVKHSTIFEN LANKADRDQY ELLcLDNTRK PVDEYKDcHL AQVPSHTVVA DATA SEQUENCE RSXGGKEDLI WELLNQAQEH FGKDKSKEFQ LFSSPHGKDL LFKDSAHGFL DATA SEQUENCE KVPPRXDAKX YLGYEYVTAI RNLREGTcPE APTDEcKPVK WcALSHHERL DATA SEQUENCE KcDEWSVNSV GKIEcVSAET TEDcIAKIXN GEADAXSLDG GFVYIAGKcG DATA SEQUENCE LVPVLAENYD KSDNcEDTPE AGYFAVAVVK KSASDLTWDN LKGKKScHTA DATA SEQUENCE VGRTAGWNIP XGLLYNKINH cRFDEFFSEG cAPGSKKDSS LcKLcXGSGL DATA SEQUENCE NLcEPNNKEG YYGYTGAFRc LVEKGDVAFV KHQTVPQNTG GKNPDPWAKN DATA SEQUENCE LNEKDYELLc LDGTRKPVEE YANcHLARAP NHAVVTRKDK EAcVHKILRQ DATA SEQUENCE QQHLFGSDVT DcSGNFcLFR SETKDLLFRD DTVcLAKLHD RNTYEKYLGE DATA SEQUENCE EYVKAVGNLR KcSTSSLLEA cTFRRP 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.616 176.600 0.026 0.000 0.988 4 K CA 0.000 56.300 56.287 0.022 0.000 0.838 4 K CB 0.000 32.512 32.500 0.020 0.000 1.064 5 T N 1.427 115.999 114.554 0.029 0.000 2.888 5 T HA 0.592 4.941 4.350 -0.001 0.000 0.284 5 T C -0.580 174.155 174.700 0.059 0.000 1.017 5 T CA -0.581 61.541 62.100 0.037 0.000 1.022 5 T CB 1.903 70.788 68.868 0.028 0.000 1.013 5 T HN 0.127 nan 8.240 nan 0.000 0.465 6 V N 3.515 123.484 119.914 0.091 0.000 2.326 6 V HA 0.327 4.446 4.120 -0.001 0.000 0.281 6 V C 0.238 176.439 176.094 0.179 0.000 1.015 6 V CA -0.826 61.557 62.300 0.138 0.000 0.823 6 V CB 0.796 32.747 31.823 0.214 0.000 1.009 6 V HN 0.710 nan 8.190 nan 0.000 0.436 7 R N 4.733 125.303 120.500 0.117 0.000 2.309 7 R HA 0.126 4.465 4.340 -0.001 0.000 0.331 7 R C -0.195 176.190 176.300 0.141 0.000 1.116 7 R CA -0.170 56.002 56.100 0.121 0.000 0.970 7 R CB 0.574 30.905 30.300 0.053 0.000 1.024 7 R HN 0.665 nan 8.270 nan 0.000 0.472 8 W N 3.726 125.078 121.300 0.088 0.000 2.184 8 W HA 0.150 4.809 4.660 -0.001 0.000 0.338 8 W C -0.352 176.199 176.519 0.053 0.000 1.257 8 W CA -0.787 56.615 57.345 0.094 0.000 1.243 8 W CB 1.301 30.863 29.460 0.169 0.000 1.122 8 W HN 0.391 nan 8.180 nan 0.000 0.585 9 c N 5.176 123.700 118.600 -0.126 0.000 2.281 9 c HA 0.723 5.292 4.570 -0.001 0.000 0.325 9 c C 0.267 174.448 174.090 0.151 0.000 1.282 9 c CA -0.360 55.974 56.329 0.010 0.000 1.640 9 c CB -0.757 41.696 42.510 -0.094 0.000 2.288 9 c HN 0.560 nan 8.230 nan 0.000 0.507 10 A N 4.145 127.046 122.820 0.134 0.000 2.312 10 A HA 0.590 4.909 4.320 -0.001 0.000 0.326 10 A C 0.514 178.096 177.584 -0.002 0.000 1.172 10 A CA -0.265 51.833 52.037 0.101 0.000 0.821 10 A CB 0.887 19.940 19.000 0.088 0.000 1.166 10 A HN 1.647 nan 8.150 nan 0.000 0.493 11 V N 0.285 120.151 119.914 -0.081 0.000 3.271 11 V HA 0.485 4.604 4.120 -0.001 0.000 0.327 11 V C 0.230 176.225 176.094 -0.165 0.000 1.389 11 V CA 0.716 62.899 62.300 -0.195 0.000 1.156 11 V CB -1.788 29.731 31.823 -0.506 0.000 1.103 11 V HN 1.345 nan 8.190 nan 0.000 0.453 12 S N -2.283 113.359 115.700 -0.096 0.000 2.636 12 S HA 0.440 4.909 4.470 -0.001 0.000 0.266 12 S C 0.305 174.866 174.600 -0.064 0.000 1.147 12 S CA -0.015 58.129 58.200 -0.094 0.000 0.815 12 S CB 1.704 64.839 63.200 -0.109 0.000 1.119 12 S HN 0.122 nan 8.310 nan 0.000 0.470 13 E N 0.194 120.335 120.200 -0.098 0.000 2.051 13 E HA -0.113 4.236 4.350 -0.001 0.000 0.192 13 E C 1.581 178.182 176.600 0.001 0.000 0.991 13 E CA 1.733 58.092 56.400 -0.069 0.000 0.799 13 E CB -0.347 29.288 29.700 -0.110 0.000 0.748 13 E HN 0.735 nan 8.360 nan 0.000 0.449 14 H N -0.217 118.811 119.070 -0.070 0.000 2.387 14 H HA -0.090 4.465 4.556 -0.001 0.000 0.299 14 H C 2.079 177.352 175.328 -0.093 0.000 1.099 14 H CA 0.949 56.937 56.048 -0.100 0.000 1.315 14 H CB 0.185 29.940 29.762 -0.012 0.000 1.380 14 H HN 0.199 nan 8.280 nan 0.000 0.513 15 E N 0.617 120.866 120.200 0.082 0.000 2.051 15 E HA -0.158 4.191 4.350 -0.001 0.000 0.192 15 E C 2.570 179.185 176.600 0.026 0.000 0.991 15 E CA 0.685 57.113 56.400 0.047 0.000 0.799 15 E CB -0.085 29.640 29.700 0.042 0.000 0.748 15 E HN 0.449 nan 8.360 nan 0.000 0.449 16 A N 1.075 123.905 122.820 0.016 0.000 1.908 16 A HA -0.201 4.118 4.320 -0.001 0.000 0.218 16 A C 2.395 179.966 177.584 -0.021 0.000 1.181 16 A CA 2.081 54.127 52.037 0.014 0.000 0.627 16 A CB -0.935 18.067 19.000 0.004 0.000 0.818 16 A HN 0.206 nan 8.150 nan 0.000 0.445 17 T N -0.092 114.415 114.554 -0.078 0.000 2.569 17 T HA -0.199 4.150 4.350 -0.001 0.000 0.263 17 T C 1.986 176.610 174.700 -0.125 0.000 1.074 17 T CA 1.804 63.809 62.100 -0.157 0.000 1.176 17 T CB -0.328 68.298 68.868 -0.403 0.000 0.863 17 T HN 0.668 nan 8.240 nan 0.000 0.410 18 K N 0.411 120.741 120.400 -0.117 0.000 2.089 18 K HA -0.215 4.104 4.320 -0.001 0.000 0.210 18 K C 2.636 179.239 176.600 0.005 0.000 1.048 18 K CA 1.827 58.111 56.287 -0.006 0.000 0.926 18 K CB -0.785 31.764 32.500 0.081 0.000 0.714 18 K HN 0.430 nan 8.250 nan 0.000 0.448 19 c N 1.418 120.036 118.600 0.031 0.000 2.413 19 c HA -0.123 4.446 4.570 -0.001 0.000 0.276 19 c C 2.624 176.764 174.090 0.084 0.000 1.236 19 c CA 1.572 57.966 56.329 0.109 0.000 1.735 19 c CB -0.931 41.650 42.510 0.119 0.000 2.031 19 c HN 0.619 nan 8.230 nan 0.000 0.474 20 Q N -0.080 119.720 119.800 -0.000 0.000 2.084 20 Q HA -0.169 4.171 4.340 -0.001 0.000 0.202 20 Q C 2.584 178.516 176.000 -0.113 0.000 0.978 20 Q CA 1.918 57.694 55.803 -0.045 0.000 0.844 20 Q CB -0.325 28.385 28.738 -0.047 0.000 0.898 20 Q HN 0.704 nan 8.270 nan 0.000 0.426 21 S N 0.348 115.946 115.700 -0.170 0.000 2.353 21 S HA -0.177 4.292 4.470 -0.001 0.000 0.222 21 S C 1.528 175.802 174.600 -0.542 0.000 1.035 21 S CA 1.205 59.194 58.200 -0.351 0.000 1.025 21 S CB -0.394 62.514 63.200 -0.487 0.000 0.902 21 S HN 0.494 nan 8.310 nan 0.000 0.440 22 F N 2.477 122.020 119.950 -0.679 0.000 2.154 22 F HA -0.195 4.331 4.527 -0.002 0.000 0.301 22 F C 2.442 178.119 175.800 -0.206 0.000 1.087 22 F CA 1.868 59.611 58.000 -0.429 0.000 1.274 22 F CB -0.144 38.815 39.000 -0.068 0.000 1.009 22 F HN 0.108 nan 8.300 nan 0.000 0.485 23 R N 0.576 120.852 120.500 -0.374 0.000 2.075 23 R HA -0.151 4.188 4.340 -0.001 0.000 0.232 23 R C 1.773 177.911 176.300 -0.271 0.000 1.126 23 R CA 1.935 57.796 56.100 -0.398 0.000 0.963 23 R CB -0.592 29.591 30.300 -0.195 0.000 0.858 23 R HN 0.315 nan 8.270 nan 0.000 0.435 24 D N 0.143 120.423 120.400 -0.200 0.000 2.078 24 D HA -0.107 4.532 4.640 -0.001 0.000 0.193 24 D C 0.555 176.758 176.300 -0.163 0.000 0.990 24 D CA 1.256 55.155 54.000 -0.168 0.000 0.827 24 D CB -0.548 40.143 40.800 -0.181 0.000 0.975 24 D HN 0.316 nan 8.370 nan 0.000 0.451 28 S N -1.063 114.671 115.700 0.057 0.000 2.589 28 S HA 0.047 4.517 4.470 -0.001 0.000 0.235 28 S C 1.155 175.819 174.600 0.106 0.000 1.051 28 S CA 0.494 58.731 58.200 0.061 0.000 0.978 28 S CB 0.336 63.561 63.200 0.042 0.000 0.929 28 S HN -0.040 nan 8.310 nan 0.000 0.523 29 V N 0.560 120.586 119.914 0.188 0.000 3.319 29 V HA 0.595 4.714 4.120 -0.001 0.000 0.317 29 V C 0.123 176.347 176.094 0.216 0.000 1.411 29 V CA -0.467 61.979 62.300 0.242 0.000 1.112 29 V CB -0.813 31.320 31.823 0.516 0.000 1.031 29 V HN 0.638 nan 8.190 nan 0.000 0.448 30 I N -3.147 117.496 120.570 0.121 0.000 2.934 30 I HA 0.835 5.004 4.170 -0.001 0.000 0.306 30 I C -2.753 173.390 176.117 0.044 0.000 1.110 30 I CA -2.552 58.791 61.300 0.071 0.000 1.019 30 I CB 1.531 39.556 38.000 0.041 0.000 1.227 30 I HN -0.146 nan 8.210 nan 0.000 0.434 31 P HA 0.145 nan 4.420 nan 0.000 0.270 31 P C 0.131 177.440 177.300 0.015 0.000 1.227 31 P CA -0.223 62.890 63.100 0.022 0.000 0.788 31 P CB 0.481 32.192 31.700 0.019 0.000 0.926 32 S N 0.355 116.062 115.700 0.011 0.000 2.786 32 S HA -0.022 4.447 4.470 -0.001 0.000 0.223 32 S C 0.457 175.060 174.600 0.006 0.000 0.956 32 S CA 0.478 58.682 58.200 0.006 0.000 0.961 32 S CB -0.811 62.391 63.200 0.004 0.000 0.784 32 S HN 0.660 nan 8.310 nan 0.000 0.519 33 D N -0.865 119.540 120.400 0.009 0.000 2.783 33 D HA 0.137 4.776 4.640 -0.001 0.000 0.306 33 D C 0.508 176.815 176.300 0.012 0.000 1.633 33 D CA -0.304 53.702 54.000 0.009 0.000 0.796 33 D CB -0.312 40.493 40.800 0.010 0.000 1.230 33 D HN 0.271 nan 8.370 nan 0.000 0.441 34 G N 1.396 110.202 108.800 0.011 0.000 2.782 34 G HA2 0.499 4.458 3.960 -0.001 0.000 0.201 34 G HA3 0.499 4.458 3.960 -0.001 0.000 0.201 34 G C -2.486 172.421 174.900 0.012 0.000 1.374 34 G CA -1.130 43.977 45.100 0.012 0.000 1.039 34 G HN -0.024 nan 8.290 nan 0.000 0.576 35 P HA 0.258 nan 4.420 nan 0.000 0.279 35 P C -0.453 176.848 177.300 0.002 0.000 1.318 35 P CA 0.077 63.188 63.100 0.018 0.000 0.819 35 P CB 1.099 32.814 31.700 0.025 0.000 0.927 36 S N 1.967 117.669 115.700 0.003 0.000 2.672 36 S HA 0.490 4.959 4.470 -0.001 0.000 0.276 36 S C 0.233 174.821 174.600 -0.019 0.000 1.207 36 S CA -0.601 57.586 58.200 -0.021 0.000 1.002 36 S CB 1.081 64.274 63.200 -0.012 0.000 0.998 36 S HN 0.249 nan 8.310 nan 0.000 0.542 37 V N 1.011 120.883 119.914 -0.070 0.000 2.604 37 V HA 0.847 4.966 4.120 -0.001 0.000 0.305 37 V C -0.267 175.826 176.094 -0.002 0.000 1.043 37 V CA -0.726 61.544 62.300 -0.051 0.000 0.888 37 V CB 1.340 32.994 31.823 -0.282 0.000 0.995 37 V HN 0.978 nan 8.190 nan 0.000 0.429 38 A N 2.926 125.794 122.820 0.080 0.000 2.381 38 A HA 0.669 4.988 4.320 -0.001 0.000 0.299 38 A C -0.684 176.977 177.584 0.128 0.000 1.049 38 A CA -0.398 51.682 52.037 0.072 0.000 0.715 38 A CB 1.166 20.199 19.000 0.055 0.000 1.222 38 A HN 0.848 nan 8.150 nan 0.000 0.428 39 c N 2.321 120.984 118.600 0.105 0.000 2.325 39 c HA 0.584 5.153 4.570 -0.001 0.000 0.347 39 c C 0.436 174.580 174.090 0.089 0.000 1.263 39 c CA -0.602 55.807 56.329 0.133 0.000 1.806 39 c CB -0.112 42.464 42.510 0.109 0.000 2.405 39 c HN 0.571 nan 8.230 nan 0.000 0.537 40 V N 4.663 124.635 119.914 0.097 0.000 2.384 40 V HA 0.413 4.532 4.120 -0.001 0.000 0.287 40 V C 0.154 176.276 176.094 0.048 0.000 1.020 40 V CA -0.418 61.913 62.300 0.052 0.000 0.850 40 V CB 1.326 33.170 31.823 0.034 0.000 0.987 40 V HN 0.790 nan 8.190 nan 0.000 0.436 41 K N 4.927 125.342 120.400 0.025 0.000 2.206 41 K HA 0.558 4.877 4.320 -0.001 0.000 0.264 41 K C -0.873 175.723 176.600 -0.008 0.000 0.967 41 K CA -0.679 55.614 56.287 0.010 0.000 0.844 41 K CB 1.207 33.708 32.500 0.001 0.000 1.099 41 K HN 0.484 nan 8.250 nan 0.000 0.441 42 K N 1.296 121.683 120.400 -0.022 0.000 2.378 42 K HA 0.425 4.744 4.320 -0.001 0.000 0.244 42 K C 0.310 176.877 176.600 -0.054 0.000 1.039 42 K CA -0.601 55.666 56.287 -0.032 0.000 0.863 42 K CB 1.521 34.004 32.500 -0.029 0.000 1.326 42 K HN 0.586 nan 8.250 nan 0.000 0.460 43 A N 0.105 122.894 122.820 -0.052 0.000 2.072 43 A HA 0.046 4.365 4.320 -0.001 0.000 0.216 43 A C 0.506 178.034 177.584 -0.093 0.000 1.156 43 A CA 1.360 53.359 52.037 -0.063 0.000 0.701 43 A CB -0.135 18.839 19.000 -0.043 0.000 0.816 43 A HN 0.655 nan 8.150 nan 0.000 0.458 44 S N -4.036 111.607 115.700 -0.094 0.000 2.615 44 S HA 0.516 4.985 4.470 -0.001 0.000 0.269 44 S C 0.214 174.755 174.600 -0.098 0.000 1.161 44 S CA -0.523 57.602 58.200 -0.126 0.000 0.817 44 S CB 0.063 63.241 63.200 -0.037 0.000 1.131 44 S HN 0.051 nan 8.310 nan 0.000 0.467 45 Y N 0.369 120.681 120.300 0.020 0.000 2.145 45 Y HA 0.001 4.550 4.550 -0.002 0.000 0.286 45 Y C 2.307 178.210 175.900 0.005 0.000 1.145 45 Y CA 1.334 59.444 58.100 0.017 0.000 1.148 45 Y CB -0.623 37.858 38.460 0.036 0.000 0.981 45 Y HN 0.540 nan 8.280 nan 0.000 0.507 46 L N 0.292 121.616 121.223 0.168 0.000 2.079 46 L HA -0.245 4.094 4.340 -0.001 0.000 0.210 46 L C 1.909 178.809 176.870 0.049 0.000 1.081 46 L CA 1.773 56.668 54.840 0.092 0.000 0.752 46 L CB -0.975 41.126 42.059 0.069 0.000 0.896 46 L HN 0.276 nan 8.230 nan 0.000 0.433 47 D N -1.897 118.521 120.400 0.030 0.000 2.224 47 D HA -0.149 4.490 4.640 -0.001 0.000 0.205 47 D C 2.235 178.536 176.300 0.002 0.000 0.965 47 D CA 1.180 55.184 54.000 0.006 0.000 0.852 47 D CB 0.077 40.872 40.800 -0.009 0.000 0.947 47 D HN 0.384 nan 8.370 nan 0.000 0.494 48 c N 0.636 119.245 118.600 0.015 0.000 2.440 48 c HA -0.068 4.501 4.570 -0.001 0.000 0.278 48 c C 2.838 176.923 174.090 -0.009 0.000 1.295 48 c CA 0.043 56.374 56.329 0.005 0.000 1.738 48 c CB -0.862 41.670 42.510 0.036 0.000 1.987 48 c HN 0.306 nan 8.230 nan 0.000 0.492 49 I N 0.288 120.865 120.570 0.011 0.000 2.127 49 I HA -0.236 3.933 4.170 -0.001 0.000 0.241 49 I C 2.758 178.858 176.117 -0.027 0.000 1.075 49 I CA 1.615 62.907 61.300 -0.013 0.000 1.334 49 I CB -0.498 37.503 38.000 0.002 0.000 1.040 49 I HN 0.284 nan 8.210 nan 0.000 0.405 50 R N 0.618 121.107 120.500 -0.018 0.000 2.083 50 R HA -0.172 4.167 4.340 -0.001 0.000 0.237 50 R C 2.482 178.764 176.300 -0.029 0.000 1.137 50 R CA 1.590 57.675 56.100 -0.025 0.000 0.951 50 R CB -0.579 29.711 30.300 -0.018 0.000 0.851 50 R HN 0.408 nan 8.270 nan 0.000 0.434 51 A N 1.232 124.036 122.820 -0.027 0.000 1.884 51 A HA -0.228 4.091 4.320 -0.001 0.000 0.219 51 A C 2.169 179.729 177.584 -0.039 0.000 1.197 51 A CA 1.716 53.735 52.037 -0.030 0.000 0.637 51 A CB -0.711 18.272 19.000 -0.028 0.000 0.827 51 A HN 0.249 nan 8.150 nan 0.000 0.450 52 I N -0.406 120.133 120.570 -0.053 0.000 2.226 52 I HA -0.293 3.876 4.170 -0.001 0.000 0.245 52 I C 2.971 179.055 176.117 -0.056 0.000 1.100 52 I CA 1.084 62.343 61.300 -0.067 0.000 1.374 52 I CB -0.391 37.553 38.000 -0.093 0.000 1.057 52 I HN 0.381 nan 8.210 nan 0.000 0.413 53 A N 0.660 123.449 122.820 -0.052 0.000 1.940 53 A HA -0.139 4.180 4.320 -0.001 0.000 0.219 53 A C 2.358 179.916 177.584 -0.042 0.000 1.176 53 A CA 1.857 53.865 52.037 -0.050 0.000 0.631 53 A CB -0.675 18.295 19.000 -0.050 0.000 0.814 53 A HN 0.453 nan 8.150 nan 0.000 0.446 54 A N -1.553 121.245 122.820 -0.037 0.000 2.238 54 A HA 0.196 4.515 4.320 -0.001 0.000 0.208 54 A C 0.883 178.451 177.584 -0.028 0.000 1.177 54 A CA 0.730 52.749 52.037 -0.030 0.000 0.804 54 A CB -0.820 18.164 19.000 -0.026 0.000 0.823 54 A HN 0.779 nan 8.150 nan 0.000 0.482 55 N N -0.930 117.751 118.700 -0.031 0.000 2.780 55 N HA -0.162 4.577 4.740 -0.001 0.000 0.248 55 N C 0.107 175.603 175.510 -0.022 0.000 1.102 55 N CA 0.830 53.864 53.050 -0.028 0.000 0.697 55 N CB -0.734 37.740 38.487 -0.023 0.000 1.028 55 N HN 0.712 nan 8.380 nan 0.000 0.554 56 E N -0.700 119.485 120.200 -0.025 0.000 2.498 56 E HA 0.381 4.730 4.350 -0.001 0.000 0.203 56 E C 0.128 176.717 176.600 -0.019 0.000 1.013 56 E CA 0.471 56.860 56.400 -0.018 0.000 0.927 56 E CB 0.934 30.624 29.700 -0.017 0.000 1.012 56 E HN 0.464 nan 8.360 nan 0.000 0.482 57 A N 0.421 123.222 122.820 -0.032 0.000 2.566 57 A HA 0.355 4.674 4.320 -0.001 0.000 0.290 57 A C -1.194 176.346 177.584 -0.073 0.000 1.071 57 A CA -0.707 51.304 52.037 -0.043 0.000 0.658 57 A CB 0.941 19.908 19.000 -0.055 0.000 1.285 57 A HN -0.012 nan 8.150 nan 0.000 0.427 58 D N -0.419 119.918 120.400 -0.106 0.000 2.498 58 D HA 0.470 5.109 4.640 -0.001 0.000 0.223 58 D C 0.335 176.481 176.300 -0.257 0.000 1.125 58 D CA 1.227 55.148 54.000 -0.132 0.000 0.835 58 D CB 1.324 42.084 40.800 -0.066 0.000 1.086 58 D HN 1.058 nan 8.370 nan 0.000 0.510 59 A N 0.455 123.001 122.820 -0.457 0.000 2.604 59 A HA 0.637 4.956 4.320 -0.001 0.000 0.295 59 A C -1.740 175.209 177.584 -1.058 0.000 1.067 59 A CA -0.696 50.870 52.037 -0.785 0.000 0.683 59 A CB 2.245 20.566 19.000 -1.131 0.000 1.281 59 A HN 0.004 nan 8.150 nan 0.000 0.407 60 V N 0.998 120.467 119.914 -0.742 0.000 2.950 60 V HA 0.623 4.742 4.120 -0.001 0.000 0.295 60 V C -0.769 175.214 176.094 -0.184 0.000 1.297 60 V CA -0.101 61.950 62.300 -0.415 0.000 0.962 60 V CB 2.233 33.965 31.823 -0.151 0.000 1.081 60 V HN 1.215 nan 8.190 nan 0.000 0.432 61 T N 7.826 122.375 114.554 -0.007 0.000 2.856 61 T HA 0.690 5.040 4.350 -0.001 0.000 0.292 61 T C -0.345 174.135 174.700 -0.368 0.000 0.980 61 T CA -0.100 61.913 62.100 -0.145 0.000 1.091 61 T CB 0.668 69.510 68.868 -0.043 0.000 0.936 61 T HN 0.569 nan 8.240 nan 0.000 0.503 62 L N 2.093 123.038 121.223 -0.463 0.000 2.388 62 L HA 0.532 4.871 4.340 -0.001 0.000 0.264 62 L C -0.263 176.479 176.870 -0.213 0.000 0.998 62 L CA -1.373 53.243 54.840 -0.373 0.000 0.817 62 L CB 1.968 43.900 42.059 -0.212 0.000 1.338 62 L HN 0.454 nan 8.230 nan 0.000 0.414 63 D N 0.378 120.741 120.400 -0.062 0.000 2.371 63 D HA 0.248 4.887 4.640 -0.001 0.000 0.242 63 D C 0.898 177.225 176.300 0.044 0.000 1.218 63 D CA 0.310 54.368 54.000 0.097 0.000 0.945 63 D CB 1.129 41.985 40.800 0.093 0.000 1.137 63 D HN 0.639 nan 8.370 nan 0.000 0.464 64 A N 0.687 123.530 122.820 0.038 0.000 1.892 64 A HA -0.128 4.191 4.320 -0.001 0.000 0.218 64 A C 2.111 179.757 177.584 0.103 0.000 1.188 64 A CA 2.336 54.338 52.037 -0.059 0.000 0.631 64 A CB -1.289 17.502 19.000 -0.349 0.000 0.822 64 A HN 0.613 nan 8.150 nan 0.000 0.447 65 G N -0.550 108.372 108.800 0.203 0.000 2.442 65 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.219 65 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.219 65 G C 1.494 176.527 174.900 0.222 0.000 1.141 65 G CA 1.107 46.368 45.100 0.269 0.000 0.763 65 G HN 0.452 nan 8.290 nan 0.000 0.554 66 L N 0.097 121.395 121.223 0.124 0.000 2.418 66 L HA 0.089 4.428 4.340 -0.001 0.000 0.218 66 L C 2.772 179.694 176.870 0.087 0.000 1.125 66 L CA -0.181 54.709 54.840 0.084 0.000 0.835 66 L CB 0.090 42.139 42.059 -0.017 0.000 0.953 66 L HN 0.069 nan 8.230 nan 0.000 0.454 67 V N -0.845 119.130 119.914 0.103 0.000 2.427 67 V HA -0.320 3.799 4.120 -0.001 0.000 0.248 67 V C 2.172 178.371 176.094 0.174 0.000 1.051 67 V CA 1.740 64.103 62.300 0.104 0.000 1.048 67 V CB -0.454 31.434 31.823 0.107 0.000 0.666 67 V HN 0.455 nan 8.190 nan 0.000 0.456 68 Y N 1.167 121.542 120.300 0.126 0.000 2.242 68 Y HA -0.197 4.352 4.550 -0.002 0.000 0.291 68 Y C 2.289 178.309 175.900 0.201 0.000 1.137 68 Y CA 1.819 60.019 58.100 0.167 0.000 1.181 68 Y CB -0.224 38.340 38.460 0.173 0.000 0.989 68 Y HN 0.328 nan 8.280 nan 0.000 0.527 69 D N -0.111 120.370 120.400 0.135 0.000 2.144 69 D HA -0.117 4.522 4.640 -0.001 0.000 0.200 69 D C 2.217 178.504 176.300 -0.023 0.000 0.978 69 D CA 1.330 55.348 54.000 0.030 0.000 0.833 69 D CB -0.419 40.434 40.800 0.088 0.000 0.961 69 D HN 0.457 nan 8.370 nan 0.000 0.470 70 A N -0.019 122.810 122.820 0.014 0.000 2.015 70 A HA -0.175 4.144 4.320 -0.001 0.000 0.219 70 A C 2.082 179.656 177.584 -0.016 0.000 1.163 70 A CA 0.954 52.987 52.037 -0.007 0.000 0.646 70 A CB -0.783 18.216 19.000 -0.001 0.000 0.806 70 A HN 0.395 nan 8.150 nan 0.000 0.448 71 Y N 0.659 120.871 120.300 -0.147 0.000 2.220 71 Y HA 0.148 4.698 4.550 -0.001 0.000 0.291 71 Y C 0.668 176.450 175.900 -0.197 0.000 1.129 71 Y CA 0.248 58.251 58.100 -0.162 0.000 1.161 71 Y CB -0.400 37.958 38.460 -0.169 0.000 0.997 71 Y HN 0.153 nan 8.280 nan 0.000 0.522 72 L N 1.673 122.586 121.223 -0.516 0.000 2.516 72 L HA 0.063 4.402 4.340 -0.001 0.000 0.288 72 L C 0.876 177.514 176.870 -0.387 0.000 1.246 72 L CA 0.097 54.597 54.840 -0.566 0.000 0.844 72 L CB -0.211 41.647 42.059 -0.336 0.000 1.106 72 L HN 0.331 nan 8.230 nan 0.000 0.509 73 A N 3.968 126.588 122.820 -0.333 0.000 2.366 73 A HA 0.393 4.712 4.320 -0.001 0.000 0.249 73 A C -1.514 175.981 177.584 -0.149 0.000 1.084 73 A CA -0.905 51.002 52.037 -0.216 0.000 0.794 73 A CB -0.201 18.692 19.000 -0.180 0.000 1.034 73 A HN 0.702 nan 8.150 nan 0.000 0.491 74 P HA 0.124 nan 4.420 nan 0.000 0.243 74 P C -0.313 176.929 177.300 -0.097 0.000 1.672 74 P CA -0.097 62.943 63.100 -0.101 0.000 1.000 74 P CB 0.181 31.837 31.700 -0.072 0.000 1.562 75 N N 1.037 119.667 118.700 -0.117 0.000 2.349 75 N HA -0.077 4.662 4.740 -0.001 0.000 0.180 75 N C 0.765 176.211 175.510 -0.106 0.000 1.024 75 N CA 0.338 53.329 53.050 -0.098 0.000 0.869 75 N CB -0.994 37.440 38.487 -0.088 0.000 1.022 75 N HN 0.082 nan 8.380 nan 0.000 0.433 76 N N 0.836 119.443 118.700 -0.155 0.000 2.698 76 N HA -0.171 4.568 4.740 -0.001 0.000 0.258 76 N C -0.957 174.509 175.510 -0.073 0.000 0.978 76 N CA 0.234 53.194 53.050 -0.151 0.000 0.777 76 N CB -1.237 37.167 38.487 -0.140 0.000 0.907 76 N HN 0.263 nan 8.380 nan 0.000 0.543 77 L N -0.253 120.940 121.223 -0.049 0.000 2.431 77 L HA 0.485 4.824 4.340 -0.001 0.000 0.260 77 L C 0.726 177.598 176.870 0.003 0.000 1.098 77 L CA -0.594 54.225 54.840 -0.034 0.000 0.800 77 L CB 1.091 43.124 42.059 -0.044 0.000 1.210 77 L HN 0.398 nan 8.230 nan 0.000 0.465 78 K N 0.301 120.680 120.400 -0.035 0.000 2.551 78 K HA 0.524 4.843 4.320 -0.001 0.000 0.269 78 K C -2.949 173.575 176.600 -0.126 0.000 0.949 78 K CA -1.744 54.512 56.287 -0.052 0.000 0.849 78 K CB 1.817 34.286 32.500 -0.052 0.000 1.411 78 K HN 0.127 nan 8.250 nan 0.000 0.432 79 P HA -0.042 nan 4.420 nan 0.000 0.271 79 P C 0.352 177.450 177.300 -0.336 0.000 1.216 79 P CA -0.369 62.528 63.100 -0.338 0.000 0.771 79 P CB 1.297 32.562 31.700 -0.725 0.000 0.864 80 V N 1.122 120.887 119.914 -0.248 0.000 3.368 80 V HA 0.270 4.390 4.120 -0.001 0.000 0.255 80 V C 0.235 176.228 176.094 -0.168 0.000 1.466 80 V CA 0.205 62.380 62.300 -0.208 0.000 1.095 80 V CB 0.554 32.306 31.823 -0.118 0.000 0.899 80 V HN 0.219 nan 8.190 nan 0.000 0.440 81 V N 1.082 120.948 119.914 -0.081 0.000 2.808 81 V HA 0.943 5.062 4.120 -0.001 0.000 0.308 81 V C -0.136 176.040 176.094 0.137 0.000 1.099 81 V CA 0.004 62.334 62.300 0.051 0.000 0.920 81 V CB 1.358 33.262 31.823 0.136 0.000 1.014 81 V HN 0.678 nan 8.190 nan 0.000 0.425 82 A N 3.528 126.521 122.820 0.289 0.000 2.386 82 A HA 0.986 5.305 4.320 -0.001 0.000 0.308 82 A C -0.648 177.268 177.584 0.553 0.000 1.128 82 A CA -0.714 51.557 52.037 0.390 0.000 0.789 82 A CB 1.553 20.810 19.000 0.428 0.000 1.325 82 A HN 0.946 nan 8.150 nan 0.000 0.437 83 E N 0.340 120.847 120.200 0.510 0.000 2.199 83 E HA 0.626 4.975 4.350 -0.001 0.000 0.269 83 E C -0.950 175.789 176.600 0.231 0.000 0.899 83 E CA -0.611 56.005 56.400 0.360 0.000 0.772 83 E CB 1.540 31.384 29.700 0.240 0.000 1.155 83 E HN 0.575 nan 8.360 nan 0.000 0.408 84 F N -0.178 119.772 119.950 -0.001 0.000 2.411 84 F HA 0.500 5.026 4.527 -0.002 0.000 0.324 84 F C -0.248 175.455 175.800 -0.162 0.000 1.086 84 F CA -1.012 57.031 58.000 0.072 0.000 1.028 84 F CB 0.546 39.578 39.000 0.053 0.000 1.284 84 F HN 0.387 nan 8.300 nan 0.000 0.501 85 Y N -0.099 120.278 120.300 0.129 0.000 2.610 85 Y HA 0.388 4.937 4.550 -0.002 0.000 0.254 85 Y C 1.331 177.408 175.900 0.295 0.000 1.110 85 Y CA -0.384 57.702 58.100 -0.023 0.000 1.238 85 Y CB 0.635 39.030 38.460 -0.108 0.000 1.322 85 Y HN 0.826 nan 8.280 nan 0.000 0.547 86 G N 0.248 109.370 108.800 0.537 0.000 2.548 86 G HA2 0.410 4.369 3.960 -0.001 0.000 0.221 86 G HA3 0.410 4.369 3.960 -0.001 0.000 0.221 86 G C 0.247 175.320 174.900 0.288 0.000 1.796 86 G CA 0.752 46.073 45.100 0.367 0.000 0.889 86 G HN 0.239 nan 8.290 nan 0.000 0.599 87 S N -2.318 113.498 115.700 0.193 0.000 2.703 87 S HA 0.366 4.835 4.470 -0.001 0.000 0.273 87 S C 0.285 174.797 174.600 -0.147 0.000 1.178 87 S CA -0.428 57.807 58.200 0.058 0.000 0.838 87 S CB 1.334 64.523 63.200 -0.018 0.000 1.178 87 S HN 0.115 nan 8.310 nan 0.000 0.494 88 K N 0.786 121.105 120.400 -0.135 0.000 2.283 88 K HA 0.056 4.375 4.320 -0.001 0.000 0.202 88 K C 1.602 178.093 176.600 -0.183 0.000 1.048 88 K CA 1.492 57.650 56.287 -0.216 0.000 0.948 88 K CB -0.385 32.063 32.500 -0.086 0.000 0.742 88 K HN 0.771 nan 8.250 nan 0.000 0.458 89 E N 1.011 121.142 120.200 -0.115 0.000 2.057 89 E HA -0.092 4.257 4.350 -0.001 0.000 0.191 89 E C -0.192 176.360 176.600 -0.080 0.000 0.959 89 E CA 0.273 56.626 56.400 -0.079 0.000 0.828 89 E CB 0.275 29.951 29.700 -0.041 0.000 0.800 89 E HN 0.034 nan 8.360 nan 0.000 0.460 90 D N 1.218 121.585 120.400 -0.054 0.000 2.485 90 D HA 0.080 4.720 4.640 -0.001 0.000 0.221 90 D C -1.675 174.615 176.300 -0.016 0.000 1.112 90 D CA -2.483 51.505 54.000 -0.020 0.000 0.911 90 D CB 1.331 42.145 40.800 0.022 0.000 1.019 90 D HN -0.009 nan 8.370 nan 0.000 0.516 91 P HA -0.214 nan 4.420 nan 0.000 0.212 91 P C -0.203 177.192 177.300 0.159 0.000 1.178 91 P CA 1.167 64.219 63.100 -0.080 0.000 0.915 91 P CB 0.133 31.732 31.700 -0.168 0.000 0.788 92 Q N -1.259 118.621 119.800 0.134 0.000 2.464 92 Q HA -0.123 4.216 4.340 -0.001 0.000 0.286 92 Q C 0.836 176.947 176.000 0.184 0.000 1.343 92 Q CA 0.731 56.644 55.803 0.183 0.000 0.772 92 Q CB -2.562 26.307 28.738 0.218 0.000 1.160 92 Q HN 0.505 nan 8.270 nan 0.000 0.422 93 T N -2.905 111.705 114.554 0.093 0.000 3.113 93 T HA 0.218 4.567 4.350 -0.001 0.000 0.256 93 T C 0.241 174.700 174.700 -0.402 0.000 1.131 93 T CA 0.445 62.517 62.100 -0.047 0.000 1.074 93 T CB 0.106 68.886 68.868 -0.146 0.000 0.944 93 T HN 0.252 nan 8.240 nan 0.000 0.516 94 F N 0.866 120.731 119.950 -0.143 0.000 2.618 94 F HA 0.660 5.186 4.527 -0.002 0.000 0.332 94 F C -0.615 174.934 175.800 -0.420 0.000 1.061 94 F CA -1.668 56.105 58.000 -0.378 0.000 0.974 94 F CB 1.657 40.280 39.000 -0.629 0.000 1.310 94 F HN 0.189 nan 8.300 nan 0.000 0.491 95 Y N -1.073 118.934 120.300 -0.488 0.000 2.562 95 Y HA 0.744 5.293 4.550 -0.001 0.000 0.345 95 Y C -2.248 173.220 175.900 -0.720 0.000 1.045 95 Y CA -2.117 55.655 58.100 -0.546 0.000 1.028 95 Y CB 0.877 39.258 38.460 -0.131 0.000 1.297 95 Y HN 0.499 nan 8.280 nan 0.000 0.463 96 Y N 1.474 121.674 120.300 -0.167 0.000 2.468 96 Y HA 0.799 5.348 4.550 -0.002 0.000 0.342 96 Y C -0.035 175.955 175.900 0.150 0.000 1.021 96 Y CA -1.244 56.754 58.100 -0.170 0.000 1.079 96 Y CB 2.220 40.549 38.460 -0.219 0.000 1.226 96 Y HN 0.933 nan 8.280 nan 0.000 0.460 97 A N 2.718 125.688 122.820 0.251 0.000 2.260 97 A HA 0.693 5.012 4.320 -0.001 0.000 0.308 97 A C -0.331 177.451 177.584 0.329 0.000 1.254 97 A CA -0.516 51.717 52.037 0.327 0.000 0.874 97 A CB -0.185 18.977 19.000 0.270 0.000 1.153 97 A HN 0.704 nan 8.150 nan 0.000 0.527 98 V N -0.739 119.375 119.914 0.334 0.000 3.166 98 V HA 0.961 5.080 4.120 -0.001 0.000 0.317 98 V C 0.148 176.440 176.094 0.330 0.000 1.136 98 V CA -0.523 61.964 62.300 0.312 0.000 1.035 98 V CB 1.717 33.704 31.823 0.273 0.000 1.110 98 V HN 1.512 nan 8.190 nan 0.000 0.450 99 A N 1.457 124.451 122.820 0.290 0.000 2.709 99 A HA 0.724 5.043 4.320 -0.001 0.000 0.332 99 A C -0.420 177.250 177.584 0.144 0.000 1.241 99 A CA -0.475 51.718 52.037 0.260 0.000 0.782 99 A CB 0.263 19.483 19.000 0.366 0.000 1.109 99 A HN 1.041 nan 8.150 nan 0.000 0.472 100 V N 2.465 122.449 119.914 0.116 0.000 2.715 100 V HA 0.422 4.541 4.120 -0.001 0.000 0.299 100 V C 0.641 176.770 176.094 0.059 0.000 1.054 100 V CA 0.412 62.777 62.300 0.109 0.000 1.077 100 V CB 0.858 32.769 31.823 0.146 0.000 0.972 100 V HN 1.008 nan 8.190 nan 0.000 0.484 101 V N 1.690 121.663 119.914 0.099 0.000 3.181 101 V HA 0.634 4.754 4.120 -0.001 0.000 0.307 101 V C -0.813 175.405 176.094 0.207 0.000 1.310 101 V CA -1.435 60.932 62.300 0.111 0.000 1.067 101 V CB 2.130 33.973 31.823 0.033 0.000 1.081 101 V HN 0.680 nan 8.190 nan 0.000 0.453 102 K N 1.110 121.612 120.400 0.170 0.000 2.172 102 K HA 0.402 4.721 4.320 -0.001 0.000 0.276 102 K C -0.313 176.287 176.600 0.001 0.000 1.013 102 K CA -0.615 55.742 56.287 0.117 0.000 0.913 102 K CB 1.512 34.051 32.500 0.065 0.000 1.055 102 K HN 0.732 nan 8.250 nan 0.000 0.461 103 K N 2.501 122.872 120.400 -0.049 0.000 2.511 103 K HA -0.123 4.196 4.320 -0.001 0.000 0.280 103 K C -1.032 175.534 176.600 -0.058 0.000 1.008 103 K CA 0.693 56.944 56.287 -0.061 0.000 1.050 103 K CB 0.050 32.506 32.500 -0.074 0.000 0.889 103 K HN 0.616 nan 8.250 nan 0.000 0.484 104 D N 2.509 122.875 120.400 -0.057 0.000 3.830 104 D HA -0.118 4.521 4.640 -0.001 0.000 0.247 104 D C -0.719 175.574 176.300 -0.012 0.000 1.073 104 D CA 1.040 55.018 54.000 -0.038 0.000 1.116 104 D CB -0.786 39.996 40.800 -0.030 0.000 0.909 104 D HN 0.528 nan 8.370 nan 0.000 0.418 105 S N 0.136 115.828 115.700 -0.014 0.000 2.728 105 S HA 0.438 4.907 4.470 -0.001 0.000 0.257 105 S C 1.380 176.085 174.600 0.175 0.000 1.060 105 S CA -0.080 58.184 58.200 0.106 0.000 1.126 105 S CB 1.628 64.929 63.200 0.169 0.000 1.099 105 S HN 1.033 nan 8.310 nan 0.000 0.617 106 G N 2.631 111.460 108.800 0.049 0.000 2.338 106 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.296 106 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.296 106 G C -0.254 174.756 174.900 0.183 0.000 1.040 106 G CA 0.826 45.972 45.100 0.076 0.000 1.004 106 G HN 0.880 nan 8.290 nan 0.000 0.509 107 F N -2.153 117.808 119.950 0.019 0.000 2.650 107 F HA 0.799 5.325 4.527 -0.002 0.000 0.310 107 F C -0.711 175.115 175.800 0.043 0.000 1.112 107 F CA -1.549 56.467 58.000 0.027 0.000 0.986 107 F CB 1.111 40.126 39.000 0.025 0.000 1.285 107 F HN 0.123 nan 8.300 nan 0.000 0.440 111 Q N 0.888 120.791 119.800 0.172 0.000 2.247 111 Q HA 0.428 4.767 4.340 -0.001 0.000 0.211 111 Q C 1.352 177.402 176.000 0.082 0.000 0.861 111 Q CA -0.174 55.706 55.803 0.128 0.000 0.949 111 Q CB 0.759 29.598 28.738 0.169 0.000 1.115 111 Q HN 0.218 nan 8.270 nan 0.000 0.507 112 L N 0.939 122.264 121.223 0.170 0.000 2.551 112 L HA -0.111 4.229 4.340 -0.001 0.000 0.230 112 L C 1.068 177.769 176.870 -0.282 0.000 1.163 112 L CA 0.421 55.331 54.840 0.117 0.000 0.826 112 L CB -0.185 42.161 42.059 0.479 0.000 0.943 112 L HN 0.100 nan 8.230 nan 0.000 0.452 113 R N 0.846 121.067 120.500 -0.465 0.000 2.351 113 R HA 0.260 4.599 4.340 -0.001 0.000 0.318 113 R C 0.842 176.823 176.300 -0.532 0.000 1.055 113 R CA 0.800 56.351 56.100 -0.915 0.000 0.968 113 R CB -0.007 29.977 30.300 -0.527 0.000 0.974 113 R HN 0.221 nan 8.270 nan 0.000 0.439 114 G N 2.916 111.386 108.800 -0.549 0.000 2.159 114 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.227 114 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.227 114 G C -0.260 174.535 174.900 -0.175 0.000 0.986 114 G CA 0.103 45.041 45.100 -0.271 0.000 0.651 114 G HN 0.538 nan 8.290 nan 0.000 0.523 115 K N -0.039 120.266 120.400 -0.157 0.000 2.419 115 K HA 0.642 4.961 4.320 -0.001 0.000 0.246 115 K C 0.183 176.791 176.600 0.015 0.000 1.037 115 K CA -0.532 55.674 56.287 -0.135 0.000 0.982 115 K CB 0.702 33.018 32.500 -0.307 0.000 1.283 115 K HN 0.188 nan 8.250 nan 0.000 0.500 116 K N 1.158 121.490 120.400 -0.114 0.000 2.339 116 K HA 0.221 4.540 4.320 -0.001 0.000 0.264 116 K C -0.508 175.898 176.600 -0.323 0.000 0.986 116 K CA -0.349 55.849 56.287 -0.150 0.000 0.866 116 K CB 1.457 33.876 32.500 -0.135 0.000 1.103 116 K HN 0.656 nan 8.250 nan 0.000 0.441 117 S N 0.781 116.142 115.700 -0.564 0.000 2.565 117 S HA 0.472 4.941 4.470 -0.001 0.000 0.290 117 S C -0.229 173.944 174.600 -0.710 0.000 1.150 117 S CA -0.793 56.922 58.200 -0.808 0.000 1.058 117 S CB 0.979 63.287 63.200 -1.486 0.000 1.032 117 S HN 0.577 nan 8.310 nan 0.000 0.510 118 c N 4.068 122.261 118.600 -0.677 0.000 2.335 118 c HA 0.548 5.118 4.570 -0.001 0.000 0.318 118 c C -0.212 173.660 174.090 -0.363 0.000 1.150 118 c CA -0.744 55.288 56.329 -0.495 0.000 1.466 118 c CB -1.131 41.143 42.510 -0.394 0.000 2.024 118 c HN 0.863 nan 8.230 nan 0.000 0.429 119 H N 1.117 120.235 119.070 0.080 0.000 2.483 119 H HA 0.290 4.846 4.556 -0.001 0.000 0.338 119 H C 1.332 176.680 175.328 0.034 0.000 1.152 119 H CA -0.062 56.099 56.048 0.187 0.000 1.264 119 H CB 1.100 31.076 29.762 0.357 0.000 1.510 119 H HN 0.646 nan 8.280 nan 0.000 0.530 120 T N -0.215 114.384 114.554 0.075 0.000 2.746 120 T HA 0.087 4.437 4.350 -0.001 0.000 0.267 120 T C 1.003 175.551 174.700 -0.253 0.000 1.039 120 T CA 0.804 62.773 62.100 -0.218 0.000 1.142 120 T CB -0.062 68.504 68.868 -0.503 0.000 0.866 120 T HN 0.801 nan 8.240 nan 0.000 0.444 121 G N 0.377 109.117 108.800 -0.101 0.000 2.498 121 G HA2 0.445 4.404 3.960 -0.001 0.000 0.301 121 G HA3 0.445 4.404 3.960 -0.001 0.000 0.301 121 G C -1.272 173.520 174.900 -0.179 0.000 1.577 121 G CA -0.808 44.222 45.100 -0.115 0.000 0.868 121 G HN 0.595 nan 8.290 nan 0.000 0.599 122 L N 1.743 122.724 121.223 -0.402 0.000 2.506 122 L HA 0.452 4.791 4.340 -0.001 0.000 0.281 122 L C 1.571 178.052 176.870 -0.648 0.000 1.228 122 L CA 2.040 56.261 54.840 -1.033 0.000 0.850 122 L CB 0.799 42.201 42.059 -1.094 0.000 1.110 122 L HN 2.229 nan 8.230 nan 0.000 0.496 123 G N 2.714 111.054 108.800 -0.767 0.000 2.184 123 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.264 123 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.264 123 G C 0.533 175.420 174.900 -0.021 0.000 0.975 123 G CA 0.490 45.461 45.100 -0.215 0.000 0.642 123 G HN 0.693 nan 8.290 nan 0.000 0.536 124 R N 0.279 120.779 120.500 -0.001 0.000 2.528 124 R HA 0.656 4.996 4.340 -0.001 0.000 0.271 124 R C 1.502 177.891 176.300 0.149 0.000 1.056 124 R CA 0.043 56.175 56.100 0.053 0.000 1.117 124 R CB 0.904 31.184 30.300 -0.033 0.000 1.085 124 R HN 0.150 nan 8.270 nan 0.000 0.530 125 S N 1.035 116.827 115.700 0.154 0.000 2.436 125 S HA -0.165 4.304 4.470 -0.001 0.000 0.208 125 S C 1.915 176.635 174.600 0.201 0.000 1.063 125 S CA 1.383 59.707 58.200 0.206 0.000 1.120 125 S CB -0.352 63.032 63.200 0.306 0.000 1.053 125 S HN 0.756 nan 8.310 nan 0.000 0.407 126 A N 0.739 123.726 122.820 0.278 0.000 1.958 126 A HA -0.065 4.254 4.320 -0.001 0.000 0.221 126 A C 2.124 179.854 177.584 0.244 0.000 1.178 126 A CA 2.073 54.294 52.037 0.307 0.000 0.642 126 A CB -1.280 18.003 19.000 0.471 0.000 0.816 126 A HN 0.614 nan 8.150 nan 0.000 0.453 127 G N -3.526 105.375 108.800 0.168 0.000 2.683 127 G HA2 0.099 4.058 3.960 -0.001 0.000 0.213 127 G HA3 0.099 4.058 3.960 -0.001 0.000 0.213 127 G C 1.104 176.171 174.900 0.280 0.000 1.142 127 G CA 0.832 46.061 45.100 0.216 0.000 0.793 127 G HN 0.653 nan 8.290 nan 0.000 0.534 128 W N -0.268 120.979 121.300 -0.090 0.000 5.056 128 W HA 0.042 4.701 4.660 -0.001 0.000 0.174 128 W C 1.289 177.674 176.519 -0.222 0.000 2.712 128 W CA 0.266 57.476 57.345 -0.226 0.000 2.038 128 W CB -0.515 28.832 29.460 -0.188 0.000 1.247 128 W HN 0.035 nan 8.180 nan 0.000 0.926 129 N N 1.893 120.644 118.700 0.085 0.000 2.036 129 N HA -0.254 4.485 4.740 -0.001 0.000 0.199 129 N C 1.593 176.958 175.510 -0.242 0.000 1.036 129 N CA 2.933 55.944 53.050 -0.064 0.000 0.870 129 N CB -1.021 37.492 38.487 0.044 0.000 1.055 129 N HN 0.244 nan 8.380 nan 0.000 0.436 130 I N 1.622 122.087 120.570 -0.175 0.000 2.060 130 I HA -0.196 3.973 4.170 -0.001 0.000 0.233 130 I C -0.673 175.276 176.117 -0.280 0.000 1.054 130 I CA 1.289 62.465 61.300 -0.206 0.000 1.318 130 I CB -1.244 36.726 38.000 -0.049 0.000 1.054 130 I HN 0.185 nan 8.210 nan 0.000 0.395 131 P HA -0.201 nan 4.420 nan 0.000 0.216 131 P C 1.751 178.690 177.300 -0.602 0.000 1.153 131 P CA 1.861 64.620 63.100 -0.569 0.000 0.858 131 P CB -0.144 30.829 31.700 -1.210 0.000 0.789 132 I N -0.374 119.771 120.570 -0.709 0.000 2.676 132 I HA -0.042 4.128 4.170 -0.001 0.000 0.259 132 I C 2.606 178.439 176.117 -0.473 0.000 1.194 132 I CA 1.284 62.133 61.300 -0.751 0.000 1.473 132 I CB -1.997 35.216 38.000 -1.311 0.000 1.096 132 I HN 0.011 nan 8.210 nan 0.000 0.443 133 G N 0.850 109.416 108.800 -0.389 0.000 2.394 133 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.214 133 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.214 133 G C 1.791 176.563 174.900 -0.214 0.000 1.176 133 G CA 0.176 45.106 45.100 -0.282 0.000 0.786 133 G HN 0.299 nan 8.290 nan 0.000 0.533 134 L N -0.013 121.074 121.223 -0.227 0.000 2.083 134 L HA 0.057 4.396 4.340 -0.001 0.000 0.209 134 L C 2.620 179.409 176.870 -0.135 0.000 1.083 134 L CA 0.572 55.318 54.840 -0.158 0.000 0.752 134 L CB -0.206 41.771 42.059 -0.136 0.000 0.899 134 L HN 0.155 nan 8.230 nan 0.000 0.433 135 L N -2.237 118.858 121.223 -0.214 0.000 2.554 135 L HA -0.130 4.209 4.340 -0.001 0.000 0.226 135 L C 2.254 178.936 176.870 -0.314 0.000 1.137 135 L CA 0.122 54.793 54.840 -0.283 0.000 0.863 135 L CB -0.452 41.335 42.059 -0.453 0.000 0.985 135 L HN 0.185 nan 8.230 nan 0.000 0.451 136 Y N 0.677 120.773 120.300 -0.340 0.000 2.133 136 Y HA -0.412 4.137 4.550 -0.001 0.000 0.279 136 Y C 2.360 178.121 175.900 -0.231 0.000 1.209 136 Y CA 1.982 59.906 58.100 -0.293 0.000 1.152 136 Y CB -0.277 38.046 38.460 -0.229 0.000 0.961 136 Y HN 0.212 nan 8.280 nan 0.000 0.512 137 c N 0.309 118.862 118.600 -0.078 0.000 2.613 137 c HA 0.068 4.637 4.570 -0.001 0.000 0.273 137 c C 1.542 175.548 174.090 -0.140 0.000 1.304 137 c CA 0.227 56.495 56.329 -0.102 0.000 1.702 137 c CB -1.029 41.483 42.510 0.003 0.000 1.792 137 c HN 0.488 nan 8.230 nan 0.000 0.588 138 D N 0.407 120.683 120.400 -0.207 0.000 2.366 138 D HA 0.166 4.806 4.640 -0.001 0.000 0.205 138 D C 0.765 176.971 176.300 -0.156 0.000 1.022 138 D CA 0.294 54.222 54.000 -0.118 0.000 0.868 138 D CB 0.091 40.855 40.800 -0.061 0.000 0.953 138 D HN 0.407 nan 8.370 nan 0.000 0.514 139 L N 2.211 123.194 121.223 -0.401 0.000 2.464 139 L HA 0.232 4.571 4.340 -0.001 0.000 0.264 139 L C -1.626 175.135 176.870 -0.182 0.000 1.199 139 L CA -1.435 53.195 54.840 -0.350 0.000 0.818 139 L CB 0.153 41.895 42.059 -0.528 0.000 1.102 139 L HN -0.086 nan 8.230 nan 0.000 0.473 140 P HA 0.193 nan 4.420 nan 0.000 0.289 140 P C -1.081 176.163 177.300 -0.094 0.000 1.299 140 P CA -0.506 62.557 63.100 -0.062 0.000 0.766 140 P CB 0.853 32.544 31.700 -0.015 0.000 1.226 141 E N -0.567 119.599 120.200 -0.057 0.000 2.227 141 E HA 0.452 4.802 4.350 -0.001 0.000 0.268 141 E C -1.967 174.621 176.600 -0.019 0.000 0.907 141 E CA -1.687 54.682 56.400 -0.050 0.000 0.786 141 E CB 0.531 30.208 29.700 -0.038 0.000 1.191 141 E HN 0.375 nan 8.360 nan 0.000 0.411 142 P HA 0.178 nan 4.420 nan 0.000 0.275 142 P C -0.029 177.240 177.300 -0.052 0.000 1.270 142 P CA -0.225 62.865 63.100 -0.016 0.000 0.791 142 P CB 0.646 32.353 31.700 0.012 0.000 1.089 143 R N -0.820 119.642 120.500 -0.064 0.000 2.446 143 R HA 0.228 4.567 4.340 -0.001 0.000 0.254 143 R C 0.272 176.549 176.300 -0.039 0.000 0.918 143 R CA 0.025 56.041 56.100 -0.139 0.000 1.069 143 R CB 0.531 30.663 30.300 -0.280 0.000 1.194 143 R HN 0.319 nan 8.270 nan 0.000 0.534 144 K N 2.013 122.423 120.400 0.017 0.000 2.471 144 K HA 0.314 4.633 4.320 -0.001 0.000 0.252 144 K C -2.434 174.200 176.600 0.056 0.000 0.938 144 K CA -1.917 54.399 56.287 0.048 0.000 0.796 144 K CB 1.933 34.475 32.500 0.070 0.000 1.161 144 K HN -0.165 nan 8.250 nan 0.000 0.425 145 P HA -0.038 nan 4.420 nan 0.000 0.269 145 P C 0.411 177.689 177.300 -0.035 0.000 1.215 145 P CA -0.410 62.710 63.100 0.034 0.000 0.780 145 P CB 0.834 32.580 31.700 0.076 0.000 0.898 146 L N 2.438 123.643 121.223 -0.030 0.000 2.027 146 L HA -0.145 4.194 4.340 -0.001 0.000 0.206 146 L C 2.411 179.231 176.870 -0.083 0.000 1.074 146 L CA 1.804 56.632 54.840 -0.019 0.000 0.745 146 L CB -1.035 41.080 42.059 0.093 0.000 0.898 146 L HN 0.422 nan 8.230 nan 0.000 0.433 147 E N -0.340 119.740 120.200 -0.199 0.000 2.086 147 E HA -0.348 4.002 4.350 -0.001 0.000 0.200 147 E C 2.138 178.514 176.600 -0.374 0.000 1.012 147 E CA 1.808 58.008 56.400 -0.332 0.000 0.812 147 E CB -0.339 28.845 29.700 -0.860 0.000 0.743 147 E HN 0.469 nan 8.360 nan 0.000 0.453 148 K N 0.787 120.865 120.400 -0.536 0.000 2.097 148 K HA -0.133 4.186 4.320 -0.001 0.000 0.206 148 K C 2.160 178.785 176.600 0.041 0.000 1.049 148 K CA 1.077 57.372 56.287 0.012 0.000 0.933 148 K CB -0.078 32.590 32.500 0.280 0.000 0.717 148 K HN 0.098 nan 8.250 nan 0.000 0.442 149 A N 0.743 123.540 122.820 -0.038 0.000 1.902 149 A HA -0.099 4.220 4.320 -0.001 0.000 0.217 149 A C 2.190 179.745 177.584 -0.048 0.000 1.181 149 A CA 1.680 53.677 52.037 -0.066 0.000 0.623 149 A CB -0.539 18.366 19.000 -0.158 0.000 0.818 149 A HN 0.174 nan 8.150 nan 0.000 0.443 150 V N -0.154 119.745 119.914 -0.024 0.000 2.453 150 V HA -0.166 3.953 4.120 -0.001 0.000 0.247 150 V C 2.986 179.238 176.094 0.263 0.000 1.048 150 V CA 1.554 63.894 62.300 0.067 0.000 1.049 150 V CB -1.386 30.511 31.823 0.123 0.000 0.672 150 V HN 0.591 nan 8.190 nan 0.000 0.457 151 A N 1.232 124.192 122.820 0.234 0.000 1.917 151 A HA -0.262 4.057 4.320 -0.001 0.000 0.219 151 A C 2.094 179.808 177.584 0.217 0.000 1.182 151 A CA 2.318 54.515 52.037 0.266 0.000 0.633 151 A CB -0.635 18.519 19.000 0.257 0.000 0.819 151 A HN 0.636 nan 8.150 nan 0.000 0.448 152 N N -1.099 117.694 118.700 0.155 0.000 2.135 152 N HA -0.096 4.644 4.740 -0.001 0.000 0.186 152 N C 1.467 177.023 175.510 0.077 0.000 1.027 152 N CA 1.267 54.378 53.050 0.103 0.000 0.849 152 N CB -0.782 37.748 38.487 0.071 0.000 1.002 152 N HN 0.454 nan 8.380 nan 0.000 0.425 153 F N 1.547 121.419 119.950 -0.131 0.000 2.032 153 F HA -0.185 4.341 4.527 -0.001 0.000 0.297 153 F C 0.406 176.026 175.800 -0.301 0.000 1.125 153 F CA 1.270 59.080 58.000 -0.315 0.000 1.202 153 F CB -0.583 38.060 39.000 -0.594 0.000 0.958 153 F HN -0.178 nan 8.300 nan 0.000 0.491 154 F N 0.090 120.103 119.950 0.105 0.000 2.375 154 F HA 0.217 4.743 4.527 -0.001 0.000 0.333 154 F C 1.338 177.129 175.800 -0.014 0.000 1.104 154 F CA -0.382 57.608 58.000 -0.017 0.000 1.149 154 F CB 0.532 39.610 39.000 0.130 0.000 1.190 154 F HN -0.080 nan 8.300 nan 0.000 0.533 155 S N 0.575 116.352 115.700 0.128 0.000 2.767 155 S HA 0.559 5.028 4.470 -0.001 0.000 0.253 155 S C 0.300 174.952 174.600 0.087 0.000 1.082 155 S CA -0.013 58.227 58.200 0.068 0.000 1.148 155 S CB -0.980 62.223 63.200 0.005 0.000 0.808 155 S HN 1.306 nan 8.310 nan 0.000 0.466 156 G N 0.227 109.116 108.800 0.149 0.000 2.528 156 G HA2 0.365 4.324 3.960 -0.001 0.000 0.681 156 G HA3 0.365 4.324 3.960 -0.001 0.000 0.681 156 G C -0.713 174.221 174.900 0.058 0.000 1.340 156 G CA -0.463 44.702 45.100 0.108 0.000 0.855 156 G HN 1.487 nan 8.290 nan 0.000 0.649 157 S N -1.711 114.011 115.700 0.037 0.000 2.655 157 S HA 0.683 5.152 4.470 -0.001 0.000 0.266 157 S C -0.858 173.732 174.600 -0.017 0.000 1.149 157 S CA -0.256 57.892 58.200 -0.088 0.000 0.818 157 S CB 1.527 64.600 63.200 -0.212 0.000 1.130 157 S HN 2.387 nan 8.310 nan 0.000 0.476 158 c N 2.075 120.626 118.600 -0.082 0.000 2.301 158 c HA 0.831 5.400 4.570 -0.001 0.000 0.313 158 c C 0.396 174.544 174.090 0.097 0.000 1.121 158 c CA 0.261 56.614 56.329 0.040 0.000 1.507 158 c CB -1.152 41.397 42.510 0.064 0.000 1.975 158 c HN 1.142 nan 8.230 nan 0.000 0.425 159 A N 7.993 130.927 122.820 0.191 0.000 2.540 159 A HA 0.635 4.955 4.320 -0.001 0.000 0.340 159 A C -2.664 174.981 177.584 0.102 0.000 1.424 159 A CA -1.223 50.958 52.037 0.240 0.000 0.940 159 A CB 0.036 19.212 19.000 0.292 0.000 1.149 159 A HN 0.724 nan 8.150 nan 0.000 0.505 160 P HA 0.216 nan 4.420 nan 0.000 0.265 160 P C 0.338 177.666 177.300 0.047 0.000 1.193 160 P CA 0.250 63.432 63.100 0.137 0.000 0.765 160 P CB 0.219 32.056 31.700 0.230 0.000 0.823 161 c N 1.178 119.818 118.600 0.065 0.000 4.497 161 c HA -0.162 4.407 4.570 -0.001 0.000 0.268 161 c C 1.789 175.851 174.090 -0.047 0.000 1.343 161 c CA 0.580 56.914 56.329 0.010 0.000 1.742 161 c CB -2.788 39.722 42.510 -0.000 0.000 1.450 161 c HN 0.713 nan 8.230 nan 0.000 0.733 162 A N 0.611 123.404 122.820 -0.044 0.000 3.534 162 A HA 0.426 4.745 4.320 -0.001 0.000 0.160 162 A C 0.875 178.491 177.584 0.053 0.000 1.460 162 A CA 1.880 53.885 52.037 -0.053 0.000 0.851 162 A CB -0.152 18.837 19.000 -0.019 0.000 1.068 162 A HN 0.987 nan 8.150 nan 0.000 0.487 163 D N -3.368 117.119 120.400 0.145 0.000 2.914 163 D HA 0.214 4.853 4.640 -0.001 0.000 0.236 163 D C 0.605 177.029 176.300 0.207 0.000 1.405 163 D CA 0.534 54.645 54.000 0.185 0.000 0.900 163 D CB -0.324 40.642 40.800 0.277 0.000 1.518 163 D HN 0.446 nan 8.370 nan 0.000 0.548 164 G N 0.828 109.707 108.800 0.132 0.000 2.462 164 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.220 164 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.220 164 G C 1.313 176.242 174.900 0.049 0.000 1.121 164 G CA 1.619 46.785 45.100 0.110 0.000 0.758 164 G HN 0.484 nan 8.290 nan 0.000 0.559 165 T N 1.146 115.711 114.554 0.018 0.000 2.597 165 T HA -0.157 4.192 4.350 -0.001 0.000 0.267 165 T C 1.899 176.531 174.700 -0.114 0.000 1.053 165 T CA 1.832 63.913 62.100 -0.033 0.000 1.165 165 T CB -0.317 68.534 68.868 -0.029 0.000 0.863 165 T HN 0.271 nan 8.240 nan 0.000 0.427 166 D N 0.138 120.398 120.400 -0.233 0.000 2.162 166 D HA 0.113 4.752 4.640 -0.001 0.000 0.205 166 D C -0.036 175.804 176.300 -0.766 0.000 0.964 166 D CA 0.661 54.300 54.000 -0.601 0.000 0.847 166 D CB 0.006 40.217 40.800 -0.983 0.000 0.988 166 D HN 0.396 nan 8.370 nan 0.000 0.480 167 F N -0.389 119.594 119.950 0.055 0.000 2.451 167 F HA 0.356 4.882 4.527 -0.001 0.000 0.367 167 F C -1.878 173.969 175.800 0.077 0.000 1.100 167 F CA -2.173 55.871 58.000 0.074 0.000 1.171 167 F CB 1.769 40.826 39.000 0.095 0.000 1.405 167 F HN -0.182 nan 8.300 nan 0.000 0.482 168 P HA -0.178 nan 4.420 nan 0.000 0.216 168 P C 1.594 178.979 177.300 0.142 0.000 1.153 168 P CA 1.285 64.454 63.100 0.115 0.000 0.848 168 P CB 0.267 32.009 31.700 0.070 0.000 0.787 169 Q N -0.776 119.123 119.800 0.164 0.000 2.443 169 Q HA -0.084 4.256 4.340 -0.001 0.000 0.213 169 Q C 1.780 177.896 176.000 0.193 0.000 0.982 169 Q CA 0.958 56.861 55.803 0.165 0.000 0.894 169 Q CB -0.586 28.257 28.738 0.176 0.000 0.947 169 Q HN 0.404 nan 8.270 nan 0.000 0.480 170 L N -1.225 120.132 121.223 0.224 0.000 2.591 170 L HA -0.013 4.326 4.340 -0.001 0.000 0.228 170 L C 1.098 178.076 176.870 0.180 0.000 1.133 170 L CA 0.008 54.990 54.840 0.237 0.000 0.880 170 L CB 0.297 42.517 42.059 0.268 0.000 1.033 170 L HN 0.168 nan 8.230 nan 0.000 0.450 171 c N -2.191 116.497 118.600 0.146 0.000 3.657 171 c HA 0.047 4.616 4.570 -0.001 0.000 0.291 171 c C 2.141 176.293 174.090 0.103 0.000 1.572 171 c CA -0.661 55.740 56.329 0.121 0.000 1.818 171 c CB -0.242 42.332 42.510 0.106 0.000 2.903 171 c HN 0.471 nan 8.230 nan 0.000 0.632 172 Q N 0.860 120.719 119.800 0.098 0.000 2.308 172 Q HA -0.175 4.164 4.340 -0.001 0.000 0.209 172 Q C 1.372 177.419 176.000 0.077 0.000 0.985 172 Q CA 1.441 57.292 55.803 0.079 0.000 0.881 172 Q CB 0.059 28.842 28.738 0.075 0.000 0.917 172 Q HN 0.563 nan 8.270 nan 0.000 0.443 173 L N -0.677 120.599 121.223 0.089 0.000 2.616 173 L HA 0.108 4.447 4.340 -0.001 0.000 0.229 173 L C 0.283 177.302 176.870 0.248 0.000 1.110 173 L CA 0.361 55.273 54.840 0.120 0.000 0.884 173 L CB 0.944 43.017 42.059 0.024 0.000 1.115 173 L HN 0.452 nan 8.230 nan 0.000 0.481 174 c N -3.729 114.980 118.600 0.181 0.000 3.238 174 c HA 0.428 4.997 4.570 -0.001 0.000 0.308 174 c C -2.719 171.427 174.090 0.093 0.000 0.971 174 c CA -1.999 54.424 56.329 0.157 0.000 1.207 174 c CB -0.636 42.018 42.510 0.241 0.000 1.696 174 c HN 0.005 nan 8.230 nan 0.000 0.609 175 P HA 0.276 nan 4.420 nan 0.000 0.264 175 P C 1.360 178.685 177.300 0.041 0.000 1.173 175 P CA 3.041 66.171 63.100 0.050 0.000 0.761 175 P CB 0.311 32.031 31.700 0.032 0.000 0.794 176 G N 1.954 110.780 108.800 0.044 0.000 2.284 176 G HA2 -0.367 3.592 3.960 -0.001 0.000 0.247 176 G HA3 -0.367 3.592 3.960 -0.001 0.000 0.247 176 G C 0.717 175.646 174.900 0.048 0.000 1.012 176 G CA -0.064 45.058 45.100 0.035 0.000 0.618 176 G HN 0.703 nan 8.290 nan 0.000 0.521 177 c N 0.743 119.384 118.600 0.068 0.000 4.331 177 c HA -0.038 4.531 4.570 -0.001 0.000 0.293 177 c C 1.992 176.131 174.090 0.080 0.000 1.436 177 c CA 0.399 56.780 56.329 0.087 0.000 1.993 177 c CB -1.960 40.601 42.510 0.085 0.000 1.266 177 c HN 2.316 nan 8.230 nan 0.000 0.795 178 G N -0.422 108.410 108.800 0.054 0.000 2.391 178 G HA2 0.049 4.008 3.960 -0.001 0.000 0.231 178 G HA3 0.049 4.008 3.960 -0.001 0.000 0.231 178 G C 0.731 175.655 174.900 0.041 0.000 1.107 178 G CA 0.536 45.644 45.100 0.013 0.000 0.863 178 G HN 1.177 nan 8.290 nan 0.000 0.482 179 c N 2.832 121.399 118.600 -0.055 0.000 2.760 179 c HA 0.642 5.212 4.570 -0.001 0.000 0.293 179 c C 1.134 174.872 174.090 -0.587 0.000 1.383 179 c CA 0.117 56.417 56.329 -0.049 0.000 1.771 179 c CB -2.234 40.286 42.510 0.016 0.000 2.353 179 c HN 0.931 nan 8.230 nan 0.000 0.578 180 S N -1.612 113.602 115.700 -0.809 0.000 2.661 180 S HA 0.379 4.848 4.470 -0.001 0.000 0.285 180 S C 0.717 174.762 174.600 -0.924 0.000 1.138 180 S CA -0.004 57.615 58.200 -0.968 0.000 0.855 180 S CB 1.091 64.044 63.200 -0.412 0.000 1.136 180 S HN 0.235 nan 8.310 nan 0.000 0.484 181 T N 1.347 115.559 114.554 -0.569 0.000 2.869 181 T HA -0.080 4.269 4.350 -0.001 0.000 0.270 181 T C 1.498 176.141 174.700 -0.096 0.000 1.082 181 T CA 1.192 63.194 62.100 -0.163 0.000 1.123 181 T CB -0.647 68.198 68.868 -0.039 0.000 0.856 181 T HN 0.407 nan 8.240 nan 0.000 0.499 182 L N 1.169 122.305 121.223 -0.145 0.000 2.261 182 L HA 0.004 4.343 4.340 -0.001 0.000 0.216 182 L C 1.237 178.067 176.870 -0.067 0.000 1.114 182 L CA 1.115 55.901 54.840 -0.090 0.000 0.777 182 L CB -0.915 41.087 42.059 -0.094 0.000 0.910 182 L HN 0.343 nan 8.230 nan 0.000 0.440 183 N N -0.097 118.570 118.700 -0.056 0.000 2.469 183 N HA 0.041 4.780 4.740 -0.001 0.000 0.239 183 N C 1.252 176.793 175.510 0.052 0.000 1.053 183 N CA -0.227 52.824 53.050 0.001 0.000 0.937 183 N CB 0.579 39.111 38.487 0.074 0.000 1.163 183 N HN 0.296 nan 8.380 nan 0.000 0.509 184 Q N 2.349 122.110 119.800 -0.066 0.000 2.217 184 Q HA -0.226 4.113 4.340 -0.001 0.000 0.209 184 Q C -0.095 175.967 176.000 0.102 0.000 0.988 184 Q CA 1.534 57.298 55.803 -0.066 0.000 0.878 184 Q CB -0.288 28.292 28.738 -0.264 0.000 0.909 184 Q HN 0.652 nan 8.270 nan 0.000 0.424 185 Y N 0.073 120.434 120.300 0.101 0.000 2.801 185 Y HA 0.336 4.885 4.550 -0.001 0.000 0.340 185 Y C -0.723 175.251 175.900 0.122 0.000 1.088 185 Y CA -1.851 56.298 58.100 0.082 0.000 1.444 185 Y CB -0.498 37.984 38.460 0.038 0.000 1.251 185 Y HN 0.139 nan 8.280 nan 0.000 0.522 186 F N 0.296 120.334 119.950 0.148 0.000 2.458 186 F HA 0.732 5.258 4.527 -0.001 0.000 0.336 186 F C 0.605 176.444 175.800 0.066 0.000 1.114 186 F CA -0.052 57.997 58.000 0.082 0.000 0.987 186 F CB 1.006 40.033 39.000 0.045 0.000 1.130 186 F HN 0.307 nan 8.300 nan 0.000 0.458 187 G N 4.514 112.753 108.800 -0.935 0.000 2.725 187 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.220 187 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.220 187 G C -0.208 174.519 174.900 -0.289 0.000 1.357 187 G CA 0.050 44.708 45.100 -0.737 0.000 0.866 187 G HN 0.768 nan 8.290 nan 0.000 0.548 188 Y N 0.686 120.910 120.300 -0.128 0.000 2.114 188 Y HA -0.092 4.457 4.550 -0.002 0.000 0.284 188 Y C 3.468 179.380 175.900 0.021 0.000 1.143 188 Y CA 2.573 60.645 58.100 -0.048 0.000 1.135 188 Y CB -0.720 37.692 38.460 -0.081 0.000 0.980 188 Y HN 0.490 nan 8.280 nan 0.000 0.499 189 S N -0.312 115.506 115.700 0.197 0.000 2.359 189 S HA -0.196 4.273 4.470 -0.001 0.000 0.224 189 S C 2.393 177.131 174.600 0.230 0.000 1.035 189 S CA 1.280 59.594 58.200 0.189 0.000 1.018 189 S CB -1.147 62.145 63.200 0.152 0.000 0.876 189 S HN 0.648 nan 8.310 nan 0.000 0.448 190 G N 1.398 110.315 108.800 0.195 0.000 2.421 190 G HA2 -0.046 3.913 3.960 -0.001 0.000 0.216 190 G HA3 -0.046 3.913 3.960 -0.001 0.000 0.216 190 G C 1.597 176.617 174.900 0.201 0.000 1.171 190 G CA 0.913 46.163 45.100 0.250 0.000 0.775 190 G HN 0.586 nan 8.290 nan 0.000 0.543 191 A N 0.303 123.179 122.820 0.092 0.000 1.908 191 A HA 0.031 4.350 4.320 -0.001 0.000 0.218 191 A C 2.174 179.749 177.584 -0.015 0.000 1.181 191 A CA 1.668 53.706 52.037 0.001 0.000 0.627 191 A CB -0.572 18.432 19.000 0.007 0.000 0.818 191 A HN 0.375 nan 8.150 nan 0.000 0.445 192 F N 0.650 120.567 119.950 -0.057 0.000 2.051 192 F HA -0.140 4.387 4.527 -0.002 0.000 0.296 192 F C 2.241 177.982 175.800 -0.098 0.000 1.122 192 F CA 2.251 60.195 58.000 -0.093 0.000 1.201 192 F CB -0.249 38.714 39.000 -0.062 0.000 0.978 192 F HN 0.113 nan 8.300 nan 0.000 0.472 193 K N 0.075 120.497 120.400 0.036 0.000 2.228 193 K HA -0.287 4.032 4.320 -0.001 0.000 0.205 193 K C 2.341 178.870 176.600 -0.117 0.000 1.045 193 K CA 1.504 57.798 56.287 0.012 0.000 0.931 193 K CB -1.059 31.581 32.500 0.234 0.000 0.727 193 K HN 0.535 nan 8.250 nan 0.000 0.458 194 c N 0.662 119.040 118.600 -0.370 0.000 2.432 194 c HA -0.043 4.527 4.570 -0.001 0.000 0.280 194 c C 2.515 176.280 174.090 -0.542 0.000 1.353 194 c CA 0.331 56.075 56.329 -0.974 0.000 1.766 194 c CB -0.876 40.956 42.510 -1.131 0.000 1.924 194 c HN 0.539 nan 8.230 nan 0.000 0.509 195 L N 1.610 122.564 121.223 -0.448 0.000 2.049 195 L HA 0.080 4.419 4.340 -0.001 0.000 0.203 195 L C 2.581 179.268 176.870 -0.304 0.000 1.074 195 L CA 2.358 56.967 54.840 -0.385 0.000 0.749 195 L CB -1.092 40.676 42.059 -0.485 0.000 0.907 195 L HN 0.352 nan 8.230 nan 0.000 0.439 196 K N -0.345 119.802 120.400 -0.421 0.000 2.020 196 K HA -0.263 4.056 4.320 -0.001 0.000 0.212 196 K C 1.715 178.268 176.600 -0.080 0.000 1.050 196 K CA 2.357 58.522 56.287 -0.204 0.000 0.929 196 K CB -0.339 32.015 32.500 -0.243 0.000 0.714 196 K HN 0.352 nan 8.250 nan 0.000 0.443 197 D N -1.123 119.236 120.400 -0.067 0.000 2.190 197 D HA -0.094 4.545 4.640 -0.001 0.000 0.200 197 D C 1.154 177.443 176.300 -0.017 0.000 0.992 197 D CA 1.834 55.838 54.000 0.007 0.000 0.854 197 D CB -0.083 40.785 40.800 0.114 0.000 0.936 197 D HN 0.639 nan 8.370 nan 0.000 0.462 198 G N -1.156 107.602 108.800 -0.071 0.000 2.159 198 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.227 198 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.227 198 G C 1.130 175.987 174.900 -0.071 0.000 0.986 198 G CA 0.605 45.669 45.100 -0.059 0.000 0.651 198 G HN 0.516 nan 8.290 nan 0.000 0.523 199 A N -0.258 122.501 122.820 -0.103 0.000 1.968 199 A HA 0.594 4.913 4.320 -0.001 0.000 0.217 199 A C 1.690 179.181 177.584 -0.155 0.000 1.169 199 A CA 2.221 54.201 52.037 -0.096 0.000 0.638 199 A CB -0.135 18.815 19.000 -0.082 0.000 0.812 199 A HN 1.835 nan 8.150 nan 0.000 0.446 200 G N -2.237 106.428 108.800 -0.224 0.000 2.644 200 G HA2 0.476 4.436 3.960 -0.001 0.000 0.307 200 G HA3 0.476 4.436 3.960 -0.001 0.000 0.307 200 G C -0.494 174.295 174.900 -0.185 0.000 1.250 200 G CA -0.057 44.900 45.100 -0.238 0.000 0.996 200 G HN 0.012 nan 8.290 nan 0.000 0.489 201 D N -1.460 118.823 120.400 -0.195 0.000 2.454 201 D HA 0.097 4.736 4.640 -0.001 0.000 0.219 201 D C 0.095 176.386 176.300 -0.015 0.000 1.081 201 D CA 0.531 54.468 54.000 -0.106 0.000 0.867 201 D CB 1.820 42.465 40.800 -0.258 0.000 1.054 201 D HN 0.137 nan 8.370 nan 0.000 0.500 202 V N 0.752 120.553 119.914 -0.188 0.000 2.623 202 V HA 0.671 4.790 4.120 -0.001 0.000 0.304 202 V C -1.649 174.136 176.094 -0.516 0.000 1.054 202 V CA -0.698 61.450 62.300 -0.254 0.000 0.882 202 V CB 1.679 33.342 31.823 -0.266 0.000 1.002 202 V HN 0.045 nan 8.190 nan 0.000 0.424 203 A N 6.726 129.315 122.820 -0.385 0.000 2.277 203 A HA 0.758 5.077 4.320 -0.001 0.000 0.318 203 A C -0.877 176.585 177.584 -0.204 0.000 1.339 203 A CA -0.354 51.501 52.037 -0.303 0.000 0.875 203 A CB 0.118 19.055 19.000 -0.104 0.000 1.158 203 A HN 0.740 nan 8.150 nan 0.000 0.514 204 F N 3.371 123.395 119.950 0.124 0.000 2.464 204 F HA 0.399 4.925 4.527 -0.001 0.000 0.353 204 F C 0.824 176.738 175.800 0.189 0.000 1.191 204 F CA -0.069 58.039 58.000 0.180 0.000 1.147 204 F CB 0.184 39.321 39.000 0.228 0.000 1.294 204 F HN 0.465 nan 8.300 nan 0.000 0.583 205 V N -0.640 119.501 119.914 0.379 0.000 3.149 205 V HA 0.601 4.720 4.120 -0.001 0.000 0.310 205 V C -0.222 176.145 176.094 0.456 0.000 1.353 205 V CA -1.491 61.084 62.300 0.458 0.000 1.040 205 V CB 1.374 33.459 31.823 0.437 0.000 1.136 205 V HN 0.284 nan 8.190 nan 0.000 0.477 206 K N 0.211 120.822 120.400 0.352 0.000 2.127 206 K HA 0.369 4.688 4.320 -0.001 0.000 0.240 206 K C 1.473 178.076 176.600 0.005 0.000 1.024 206 K CA 0.021 56.375 56.287 0.111 0.000 0.918 206 K CB 0.408 32.680 32.500 -0.379 0.000 1.108 206 K HN 0.995 nan 8.250 nan 0.000 0.485 207 H N -0.428 118.573 119.070 -0.116 0.000 2.423 207 H HA -0.072 4.483 4.556 -0.001 0.000 0.297 207 H C 0.994 176.030 175.328 -0.486 0.000 1.075 207 H CA 1.775 57.599 56.048 -0.374 0.000 1.342 207 H CB -0.107 29.244 29.762 -0.686 0.000 1.395 207 H HN 0.435 nan 8.280 nan 0.000 0.530 208 S N 0.148 115.208 115.700 -1.067 0.000 2.634 208 S HA 0.078 4.547 4.470 -0.001 0.000 0.221 208 S C 1.317 175.651 174.600 -0.444 0.000 0.952 208 S CA 0.093 57.796 58.200 -0.828 0.000 0.930 208 S CB -0.134 62.508 63.200 -0.929 0.000 0.780 208 S HN 0.374 nan 8.310 nan 0.000 0.498 209 T N 3.296 117.621 114.554 -0.382 0.000 2.590 209 T HA 0.001 4.350 4.350 -0.001 0.000 0.257 209 T C 1.641 176.077 174.700 -0.440 0.000 1.080 209 T CA 1.309 63.198 62.100 -0.352 0.000 1.180 209 T CB -0.597 68.142 68.868 -0.215 0.000 0.865 209 T HN 0.454 nan 8.240 nan 0.000 0.403 210 I N 0.222 120.474 120.570 -0.530 0.000 2.236 210 I HA -0.272 3.897 4.170 -0.001 0.000 0.249 210 I C 1.989 177.816 176.117 -0.483 0.000 1.102 210 I CA 1.713 62.464 61.300 -0.915 0.000 1.365 210 I CB -0.226 37.508 38.000 -0.444 0.000 1.051 210 I HN 0.107 nan 8.210 nan 0.000 0.420 211 F N 1.589 121.336 119.950 -0.339 0.000 2.069 211 F HA -0.258 4.268 4.527 -0.001 0.000 0.298 211 F C 2.505 178.181 175.800 -0.206 0.000 1.113 211 F CA 2.127 60.006 58.000 -0.201 0.000 1.214 211 F CB -0.923 37.984 39.000 -0.155 0.000 0.978 211 F HN 0.129 nan 8.300 nan 0.000 0.474 212 E N -0.435 119.733 120.200 -0.054 0.000 2.219 212 E HA -0.243 4.106 4.350 -0.001 0.000 0.198 212 E C 1.305 177.842 176.600 -0.106 0.000 0.998 212 E CA 1.500 57.844 56.400 -0.093 0.000 0.818 212 E CB -0.379 29.236 29.700 -0.141 0.000 0.741 212 E HN 0.434 nan 8.360 nan 0.000 0.477 213 N N -0.517 118.057 118.700 -0.211 0.000 2.280 213 N HA 0.159 4.898 4.740 -0.001 0.000 0.192 213 N C -0.631 174.875 175.510 -0.008 0.000 1.109 213 N CA 0.309 53.292 53.050 -0.112 0.000 0.855 213 N CB 0.749 39.127 38.487 -0.181 0.000 0.974 213 N HN -0.034 nan 8.380 nan 0.000 0.482 214 L N -0.070 121.116 121.223 -0.062 0.000 2.504 214 L HA 0.470 4.809 4.340 -0.001 0.000 0.265 214 L C 0.436 177.282 176.870 -0.039 0.000 0.975 214 L CA -0.509 54.327 54.840 -0.007 0.000 0.864 214 L CB 1.800 43.872 42.059 0.021 0.000 1.212 214 L HN -0.087 nan 8.230 nan 0.000 0.416 215 A N 2.496 125.315 122.820 -0.002 0.000 1.968 215 A HA 0.038 4.357 4.320 -0.001 0.000 0.217 215 A C 0.881 178.463 177.584 -0.003 0.000 1.169 215 A CA 0.828 52.868 52.037 0.005 0.000 0.638 215 A CB -0.134 18.877 19.000 0.018 0.000 0.812 215 A HN 0.674 nan 8.150 nan 0.000 0.446 216 N N 0.302 119.000 118.700 -0.004 0.000 2.472 216 N HA 0.077 4.816 4.740 -0.001 0.000 0.277 216 N C 0.708 176.199 175.510 -0.032 0.000 1.081 216 N CA -0.192 52.854 53.050 -0.006 0.000 0.973 216 N CB 1.374 39.865 38.487 0.007 0.000 1.105 216 N HN 0.228 nan 8.380 nan 0.000 0.470 217 K N 2.566 122.949 120.400 -0.030 0.000 2.283 217 K HA -0.036 4.283 4.320 -0.001 0.000 0.202 217 K C 1.286 177.868 176.600 -0.032 0.000 1.048 217 K CA 0.623 56.882 56.287 -0.047 0.000 0.948 217 K CB 0.085 32.578 32.500 -0.012 0.000 0.742 217 K HN 0.603 nan 8.250 nan 0.000 0.458 218 A N 1.523 124.333 122.820 -0.017 0.000 1.872 218 A HA -0.140 4.179 4.320 -0.001 0.000 0.214 218 A C 1.798 179.371 177.584 -0.019 0.000 1.187 218 A CA 1.614 53.642 52.037 -0.016 0.000 0.614 218 A CB -0.416 18.578 19.000 -0.011 0.000 0.826 218 A HN 0.315 nan 8.150 nan 0.000 0.442 219 D N -0.383 120.015 120.400 -0.003 0.000 2.144 219 D HA -0.124 4.515 4.640 -0.001 0.000 0.199 219 D C 2.124 178.459 176.300 0.059 0.000 0.984 219 D CA 1.000 55.011 54.000 0.019 0.000 0.834 219 D CB -0.259 40.580 40.800 0.066 0.000 0.955 219 D HN 0.444 nan 8.370 nan 0.000 0.465 220 R N 0.599 121.136 120.500 0.062 0.000 2.148 220 R HA -0.054 4.285 4.340 -0.001 0.000 0.223 220 R C 1.164 177.514 176.300 0.083 0.000 1.088 220 R CA 0.593 56.765 56.100 0.120 0.000 0.985 220 R CB 0.009 30.234 30.300 -0.125 0.000 0.880 220 R HN 0.105 nan 8.270 nan 0.000 0.451 221 D N 0.710 121.111 120.400 0.002 0.000 2.392 221 D HA -0.093 4.547 4.640 -0.001 0.000 0.228 221 D C 0.867 177.135 176.300 -0.054 0.000 1.003 221 D CA 0.977 54.970 54.000 -0.012 0.000 0.917 221 D CB 0.222 41.010 40.800 -0.020 0.000 0.890 221 D HN 0.077 nan 8.370 nan 0.000 0.532 222 Q N -0.773 118.944 119.800 -0.139 0.000 2.198 222 Q HA 0.146 4.485 4.340 -0.001 0.000 0.209 222 Q C -1.120 174.630 176.000 -0.418 0.000 0.848 222 Q CA -0.091 55.538 55.803 -0.290 0.000 0.974 222 Q CB 0.272 28.768 28.738 -0.404 0.000 1.115 222 Q HN 0.161 nan 8.270 nan 0.000 0.494 223 Y N -0.069 120.234 120.300 0.005 0.000 2.477 223 Y HA 0.423 4.972 4.550 -0.001 0.000 0.347 223 Y C -0.136 175.780 175.900 0.027 0.000 0.981 223 Y CA -1.390 56.724 58.100 0.023 0.000 1.033 223 Y CB 1.581 40.086 38.460 0.075 0.000 1.245 223 Y HN -0.033 nan 8.280 nan 0.000 0.455 224 E N 1.851 122.168 120.200 0.195 0.000 2.392 224 E HA 0.669 5.018 4.350 -0.001 0.000 0.269 224 E C -1.815 174.851 176.600 0.110 0.000 0.924 224 E CA -1.217 55.253 56.400 0.116 0.000 0.784 224 E CB 2.340 32.064 29.700 0.040 0.000 1.292 224 E HN 0.231 nan 8.360 nan 0.000 0.447 225 L N 1.107 122.393 121.223 0.105 0.000 2.334 225 L HA 0.390 4.730 4.340 -0.001 0.000 0.275 225 L C -0.258 176.654 176.870 0.070 0.000 1.036 225 L CA -0.661 54.248 54.840 0.115 0.000 0.807 225 L CB 1.041 43.194 42.059 0.158 0.000 1.231 225 L HN 0.511 nan 8.230 nan 0.000 0.438 226 L N 2.154 123.429 121.223 0.087 0.000 2.276 226 L HA 0.419 4.759 4.340 -0.001 0.000 0.286 226 L C -0.504 176.420 176.870 0.091 0.000 1.061 226 L CA -0.421 54.460 54.840 0.069 0.000 0.807 226 L CB 1.109 43.239 42.059 0.119 0.000 1.177 226 L HN 0.605 nan 8.230 nan 0.000 0.429 227 c N 2.886 121.518 118.600 0.054 0.000 2.358 227 c HA 0.303 4.872 4.570 -0.001 0.000 0.354 227 c C 1.961 176.078 174.090 0.044 0.000 1.183 227 c CA -0.806 55.542 56.329 0.033 0.000 2.150 227 c CB 1.277 43.788 42.510 0.001 0.000 2.361 227 c HN 0.830 nan 8.230 nan 0.000 0.535 228 L N 1.523 122.764 121.223 0.030 0.000 2.083 228 L HA -0.129 4.210 4.340 -0.001 0.000 0.209 228 L C 2.048 178.951 176.870 0.056 0.000 1.083 228 L CA 1.577 56.448 54.840 0.052 0.000 0.752 228 L CB -0.441 41.648 42.059 0.049 0.000 0.899 228 L HN 0.833 nan 8.230 nan 0.000 0.433 229 D N -0.544 119.879 120.400 0.039 0.000 2.396 229 D HA -0.151 4.488 4.640 -0.001 0.000 0.255 229 D C -0.116 176.205 176.300 0.034 0.000 1.224 229 D CA 0.036 54.058 54.000 0.036 0.000 0.894 229 D CB -0.833 39.981 40.800 0.022 0.000 0.939 229 D HN 0.243 nan 8.370 nan 0.000 0.506 230 N N -0.244 118.482 118.700 0.044 0.000 2.696 230 N HA -0.155 4.584 4.740 -0.001 0.000 0.256 230 N C -0.863 174.660 175.510 0.022 0.000 1.031 230 N CA 1.032 54.108 53.050 0.044 0.000 0.730 230 N CB -1.693 36.823 38.487 0.049 0.000 0.894 230 N HN 0.336 nan 8.380 nan 0.000 0.544 231 T N 0.275 114.837 114.554 0.013 0.000 2.903 231 T HA 0.483 4.832 4.350 -0.001 0.000 0.299 231 T C 0.231 174.924 174.700 -0.011 0.000 1.093 231 T CA -0.714 61.385 62.100 -0.002 0.000 1.002 231 T CB 2.316 71.184 68.868 0.001 0.000 1.127 231 T HN 0.058 nan 8.240 nan 0.000 0.488 232 R N 1.538 122.023 120.500 -0.026 0.000 2.604 232 R HA 0.727 5.066 4.340 -0.001 0.000 0.287 232 R C -0.615 175.682 176.300 -0.006 0.000 0.970 232 R CA -0.907 55.175 56.100 -0.030 0.000 0.946 232 R CB 1.809 32.069 30.300 -0.067 0.000 1.127 232 R HN 0.444 nan 8.270 nan 0.000 0.473 233 K N 1.855 122.264 120.400 0.015 0.000 2.546 233 K HA 0.353 4.673 4.320 -0.001 0.000 0.264 233 K C -2.798 173.836 176.600 0.057 0.000 0.937 233 K CA -2.047 54.256 56.287 0.027 0.000 0.833 233 K CB 2.563 35.076 32.500 0.021 0.000 1.378 233 K HN 0.225 nan 8.250 nan 0.000 0.432 234 P HA -0.120 nan 4.420 nan 0.000 0.264 234 P C 0.853 178.242 177.300 0.148 0.000 1.179 234 P CA -0.086 63.067 63.100 0.087 0.000 0.763 234 P CB 0.454 32.193 31.700 0.064 0.000 0.806 235 V N -0.135 119.891 119.914 0.187 0.000 2.944 235 V HA -0.235 3.884 4.120 -0.001 0.000 0.265 235 V C 1.400 177.786 176.094 0.486 0.000 1.125 235 V CA 2.233 64.712 62.300 0.297 0.000 1.145 235 V CB -1.187 30.770 31.823 0.223 0.000 0.725 235 V HN 0.414 nan 8.190 nan 0.000 0.510 236 D N 1.068 121.676 120.400 0.347 0.000 2.216 236 D HA -0.057 4.582 4.640 -0.001 0.000 0.208 236 D C 1.456 177.805 176.300 0.082 0.000 0.960 236 D CA 0.735 54.949 54.000 0.357 0.000 0.861 236 D CB -0.123 40.812 40.800 0.225 0.000 0.985 236 D HN 0.701 nan 8.370 nan 0.000 0.493 237 E N 0.204 120.430 120.200 0.045 0.000 2.392 237 E HA 0.031 4.380 4.350 -0.001 0.000 0.307 237 E C 0.062 176.625 176.600 -0.061 0.000 1.505 237 E CA -0.285 56.063 56.400 -0.086 0.000 1.716 237 E CB -0.165 29.513 29.700 -0.036 0.000 1.450 237 E HN 0.605 nan 8.360 nan 0.000 0.484 238 Y N -0.879 119.418 120.300 -0.006 0.000 2.475 238 Y HA 0.175 4.725 4.550 -0.002 0.000 0.289 238 Y C 1.594 177.398 175.900 -0.161 0.000 1.121 238 Y CA 0.084 58.169 58.100 -0.025 0.000 1.257 238 Y CB -0.084 38.399 38.460 0.038 0.000 1.026 238 Y HN -0.108 nan 8.280 nan 0.000 0.555 239 K N 0.665 120.756 120.400 -0.516 0.000 2.362 239 K HA -0.068 4.251 4.320 -0.001 0.000 0.200 239 K C 0.257 176.772 176.600 -0.143 0.000 1.046 239 K CA 1.384 57.380 56.287 -0.485 0.000 0.952 239 K CB -0.007 32.179 32.500 -0.522 0.000 0.753 239 K HN 0.507 nan 8.250 nan 0.000 0.466 240 D N -1.384 118.928 120.400 -0.146 0.000 2.501 240 D HA 0.067 4.707 4.640 -0.001 0.000 0.224 240 D C -0.443 175.758 176.300 -0.165 0.000 1.202 240 D CA 0.017 53.937 54.000 -0.134 0.000 0.829 240 D CB 0.489 41.231 40.800 -0.097 0.000 1.023 240 D HN 0.031 nan 8.370 nan 0.000 0.499 241 c N 2.248 120.750 118.600 -0.164 0.000 3.166 241 c HA 0.297 4.866 4.570 -0.001 0.000 0.277 241 c C -1.145 172.941 174.090 -0.007 0.000 0.984 241 c CA -0.459 55.802 56.329 -0.113 0.000 1.142 241 c CB -1.275 41.229 42.510 -0.010 0.000 1.721 241 c HN 0.461 nan 8.230 nan 0.000 0.628 242 H N 0.532 119.645 119.070 0.072 0.000 2.894 242 H HA 0.747 5.302 4.556 -0.002 0.000 0.368 242 H C 0.118 175.502 175.328 0.092 0.000 1.181 242 H CA -1.108 55.013 56.048 0.123 0.000 1.146 242 H CB 0.413 30.281 29.762 0.176 0.000 1.839 242 H HN 0.026 nan 8.280 nan 0.000 0.557 243 L N 0.255 121.652 121.223 0.289 0.000 2.179 243 L HA 0.453 4.792 4.340 -0.001 0.000 0.208 243 L C 0.763 177.730 176.870 0.162 0.000 1.096 243 L CA 1.675 56.617 54.840 0.169 0.000 0.779 243 L CB -0.460 41.688 42.059 0.148 0.000 0.922 243 L HN 0.947 nan 8.230 nan 0.000 0.443 244 A N -1.450 121.527 122.820 0.261 0.000 2.597 244 A HA 0.545 4.864 4.320 -0.001 0.000 0.292 244 A C -1.286 176.196 177.584 -0.170 0.000 1.057 244 A CA -0.561 51.534 52.037 0.096 0.000 0.674 244 A CB 0.809 19.843 19.000 0.057 0.000 1.278 244 A HN -0.006 nan 8.150 nan 0.000 0.416 245 Q N 0.322 119.903 119.800 -0.364 0.000 2.266 245 Q HA 0.759 5.098 4.340 -0.001 0.000 0.261 245 Q C -1.483 174.129 176.000 -0.646 0.000 0.985 245 Q CA -0.685 54.700 55.803 -0.696 0.000 0.873 245 Q CB 2.028 30.343 28.738 -0.705 0.000 1.306 245 Q HN 1.819 nan 8.270 nan 0.000 0.447 246 V N 3.945 123.384 119.914 -0.791 0.000 2.852 246 V HA 0.537 4.657 4.120 -0.001 0.000 0.300 246 V C -2.869 172.901 176.094 -0.539 0.000 1.205 246 V CA -1.825 60.019 62.300 -0.761 0.000 0.940 246 V CB 2.464 33.653 31.823 -1.057 0.000 1.047 246 V HN 0.820 nan 8.190 nan 0.000 0.429 247 P HA 0.248 nan 4.420 nan 0.000 0.276 247 P C 0.514 177.748 177.300 -0.110 0.000 1.243 247 P CA 0.204 63.075 63.100 -0.382 0.000 0.768 247 P CB 1.684 33.124 31.700 -0.434 0.000 0.856 248 S N 1.738 117.418 115.700 -0.033 0.000 2.402 248 S HA -0.118 4.351 4.470 -0.001 0.000 0.229 248 S C 0.472 175.217 174.600 0.243 0.000 1.021 248 S CA 1.369 59.606 58.200 0.061 0.000 0.974 248 S CB -0.573 62.448 63.200 -0.298 0.000 0.800 248 S HN 0.683 nan 8.310 nan 0.000 0.484 249 H N -0.540 118.608 119.070 0.130 0.000 3.174 249 H HA 0.331 4.886 4.556 -0.001 0.000 0.307 249 H C -1.455 174.020 175.328 0.245 0.000 1.116 249 H CA -0.474 55.696 56.048 0.204 0.000 1.489 249 H CB 0.694 30.644 29.762 0.313 0.000 2.104 249 H HN -0.084 nan 8.280 nan 0.000 0.414 250 T N 4.074 118.636 114.554 0.013 0.000 2.841 250 T HA 0.434 4.783 4.350 -0.001 0.000 0.283 250 T C -0.413 174.266 174.700 -0.035 0.000 1.000 250 T CA -0.695 61.444 62.100 0.065 0.000 0.977 250 T CB 1.644 70.594 68.868 0.137 0.000 0.979 250 T HN 0.256 nan 8.240 nan 0.000 0.446 251 V N 3.794 123.729 119.914 0.036 0.000 2.546 251 V HA 0.559 4.678 4.120 -0.001 0.000 0.284 251 V C 0.399 176.438 176.094 -0.091 0.000 1.050 251 V CA -0.555 61.742 62.300 -0.005 0.000 0.981 251 V CB 1.070 32.948 31.823 0.092 0.000 0.990 251 V HN 0.789 nan 8.190 nan 0.000 0.474 252 V N 1.540 121.367 119.914 -0.146 0.000 2.960 252 V HA 1.087 5.206 4.120 -0.001 0.000 0.315 252 V C -0.159 175.837 176.094 -0.163 0.000 1.087 252 V CA -0.628 61.589 62.300 -0.138 0.000 0.982 252 V CB 1.582 33.341 31.823 -0.108 0.000 1.039 252 V HN 1.203 nan 8.190 nan 0.000 0.437 253 A N 2.137 124.880 122.820 -0.128 0.000 2.593 253 A HA 0.792 5.112 4.320 -0.001 0.000 0.290 253 A C -0.240 177.291 177.584 -0.087 0.000 1.126 253 A CA -1.183 50.782 52.037 -0.119 0.000 0.695 253 A CB 1.385 20.323 19.000 -0.102 0.000 1.290 253 A HN 0.908 nan 8.150 nan 0.000 0.414 254 R N 0.585 121.039 120.500 -0.076 0.000 2.758 254 R HA 0.250 4.589 4.340 -0.001 0.000 0.263 254 R C 0.313 176.581 176.300 -0.053 0.000 1.010 254 R CA 0.364 56.427 56.100 -0.061 0.000 1.114 254 R CB 0.230 30.499 30.300 -0.052 0.000 0.985 254 R HN 0.733 nan 8.270 nan 0.000 0.439 258 G N 0.651 109.436 108.800 -0.025 0.000 2.848 258 G HA2 0.230 4.189 3.960 -0.001 0.000 0.208 258 G HA3 0.230 4.189 3.960 -0.001 0.000 0.208 258 G C 0.960 175.848 174.900 -0.021 0.000 1.152 258 G CA 0.551 45.631 45.100 -0.033 0.000 0.789 258 G HN 0.577 nan 8.290 nan 0.000 0.531 259 K N 0.006 120.404 120.400 -0.003 0.000 3.167 259 K HA -0.176 4.143 4.320 -0.001 0.000 0.272 259 K C 1.694 178.315 176.600 0.035 0.000 1.137 259 K CA 0.754 57.052 56.287 0.018 0.000 0.800 259 K CB -0.952 31.560 32.500 0.021 0.000 1.253 259 K HN 0.614 nan 8.250 nan 0.000 0.497 260 E N 0.550 120.763 120.200 0.022 0.000 2.085 260 E HA -0.251 4.098 4.350 -0.001 0.000 0.194 260 E C 0.939 177.605 176.600 0.110 0.000 0.994 260 E CA 1.809 58.232 56.400 0.038 0.000 0.801 260 E CB -0.083 29.611 29.700 -0.010 0.000 0.743 260 E HN 0.382 nan 8.360 nan 0.000 0.453 261 D N 1.121 121.584 120.400 0.105 0.000 2.084 261 D HA -0.115 4.524 4.640 -0.001 0.000 0.194 261 D C 2.095 178.504 176.300 0.182 0.000 0.990 261 D CA 0.720 54.820 54.000 0.166 0.000 0.826 261 D CB -0.470 40.398 40.800 0.114 0.000 0.971 261 D HN 0.112 nan 8.370 nan 0.000 0.453 262 L N 0.864 122.159 121.223 0.120 0.000 2.127 262 L HA -0.110 4.229 4.340 -0.001 0.000 0.211 262 L C 2.130 179.080 176.870 0.133 0.000 1.089 262 L CA 1.195 56.097 54.840 0.104 0.000 0.757 262 L CB -0.457 41.648 42.059 0.077 0.000 0.899 262 L HN 0.050 nan 8.230 nan 0.000 0.434 263 I N -2.300 118.366 120.570 0.161 0.000 2.286 263 I HA -0.317 3.852 4.170 -0.001 0.000 0.245 263 I C 2.337 178.601 176.117 0.245 0.000 1.104 263 I CA 1.335 62.760 61.300 0.209 0.000 1.397 263 I CB -0.523 37.575 38.000 0.164 0.000 1.072 263 I HN 0.515 nan 8.210 nan 0.000 0.417 264 W N 2.350 123.686 121.300 0.059 0.000 2.381 264 W HA -0.202 4.458 4.660 -0.001 0.000 0.301 264 W C 2.201 178.766 176.519 0.076 0.000 1.205 264 W CA 1.466 58.843 57.345 0.054 0.000 1.285 264 W CB -0.070 29.414 29.460 0.040 0.000 1.133 264 W HN 0.192 nan 8.180 nan 0.000 0.521 265 E N 0.663 120.795 120.200 -0.113 0.000 2.085 265 E HA -0.295 4.055 4.350 -0.001 0.000 0.194 265 E C 2.234 178.714 176.600 -0.200 0.000 0.994 265 E CA 1.692 57.960 56.400 -0.220 0.000 0.801 265 E CB -0.381 29.296 29.700 -0.039 0.000 0.743 265 E HN 0.223 nan 8.360 nan 0.000 0.453 266 L N 0.933 122.125 121.223 -0.052 0.000 1.948 266 L HA -0.177 4.162 4.340 -0.001 0.000 0.212 266 L C 2.162 179.049 176.870 0.029 0.000 1.074 266 L CA 1.724 56.587 54.840 0.039 0.000 0.753 266 L CB -0.764 41.401 42.059 0.176 0.000 0.888 266 L HN 0.187 nan 8.230 nan 0.000 0.432 267 L N 0.130 121.360 121.223 0.012 0.000 2.447 267 L HA -0.197 4.142 4.340 -0.001 0.000 0.225 267 L C 2.079 178.943 176.870 -0.010 0.000 1.148 267 L CA 1.267 56.081 54.840 -0.043 0.000 0.808 267 L CB -0.890 40.914 42.059 -0.425 0.000 0.928 267 L HN 0.514 nan 8.230 nan 0.000 0.448 268 N N -0.054 118.434 118.700 -0.352 0.000 2.305 268 N HA -0.119 4.620 4.740 -0.001 0.000 0.179 268 N C 1.842 177.196 175.510 -0.259 0.000 1.019 268 N CA 0.890 53.646 53.050 -0.491 0.000 0.869 268 N CB 0.152 37.964 38.487 -1.126 0.000 1.000 268 N HN 0.226 nan 8.380 nan 0.000 0.431 269 Q N -0.645 119.008 119.800 -0.245 0.000 2.311 269 Q HA 0.168 4.507 4.340 -0.001 0.000 0.203 269 Q C 1.748 177.603 176.000 -0.242 0.000 0.954 269 Q CA 0.815 56.437 55.803 -0.303 0.000 0.885 269 Q CB 0.081 28.637 28.738 -0.304 0.000 0.963 269 Q HN 0.444 nan 8.270 nan 0.000 0.471 270 A N 1.587 124.399 122.820 -0.013 0.000 1.873 270 A HA -0.260 4.059 4.320 -0.001 0.000 0.215 270 A C 2.055 179.679 177.584 0.067 0.000 1.186 270 A CA 1.596 53.754 52.037 0.201 0.000 0.616 270 A CB -0.500 18.701 19.000 0.335 0.000 0.823 270 A HN 0.499 nan 8.150 nan 0.000 0.442 271 Q N -0.882 118.913 119.800 -0.008 0.000 2.230 271 Q HA -0.104 4.236 4.340 -0.001 0.000 0.202 271 Q C 1.841 177.818 176.000 -0.037 0.000 0.963 271 Q CA 1.325 57.100 55.803 -0.047 0.000 0.866 271 Q CB -0.320 28.430 28.738 0.020 0.000 0.931 271 Q HN 0.750 nan 8.270 nan 0.000 0.452 272 E N 1.030 121.182 120.200 -0.081 0.000 2.046 272 E HA -0.189 4.160 4.350 -0.001 0.000 0.190 272 E C 1.557 178.136 176.600 -0.035 0.000 0.982 272 E CA 1.111 57.472 56.400 -0.065 0.000 0.800 272 E CB -0.018 29.613 29.700 -0.114 0.000 0.756 272 E HN 0.690 nan 8.360 nan 0.000 0.449 273 H N -2.404 116.478 119.070 -0.313 0.000 2.525 273 H HA 0.046 4.601 4.556 -0.001 0.000 0.275 273 H C 0.460 175.196 175.328 -0.986 0.000 0.984 273 H CA 0.488 56.118 56.048 -0.695 0.000 1.264 273 H CB 0.423 29.586 29.762 -0.997 0.000 1.432 273 H HN 0.135 nan 8.280 nan 0.000 0.549 274 F N -0.503 119.471 119.950 0.040 0.000 2.859 274 F HA 0.274 4.800 4.527 -0.002 0.000 0.324 274 F C 1.417 177.044 175.800 -0.290 0.000 1.158 274 F CA -0.516 57.402 58.000 -0.136 0.000 1.147 274 F CB 0.516 39.396 39.000 -0.199 0.000 1.137 274 F HN 0.012 nan 8.300 nan 0.000 0.516 275 G N 0.344 109.102 108.800 -0.070 0.000 2.529 275 G HA2 0.076 4.036 3.960 -0.001 0.000 0.234 275 G HA3 0.076 4.036 3.960 -0.001 0.000 0.234 275 G C 0.104 175.056 174.900 0.086 0.000 1.527 275 G CA -0.491 44.608 45.100 -0.001 0.000 1.062 275 G HN -0.129 nan 8.290 nan 0.000 0.558 276 K N 2.006 122.494 120.400 0.146 0.000 2.361 276 K HA 0.047 4.366 4.320 -0.001 0.000 0.283 276 K C -0.353 176.256 176.600 0.015 0.000 1.078 276 K CA 0.455 56.777 56.287 0.059 0.000 1.041 276 K CB -0.471 32.023 32.500 -0.011 0.000 0.932 276 K HN 0.489 nan 8.250 nan 0.000 0.462 277 D N 3.398 123.802 120.400 0.007 0.000 3.763 277 D HA -0.174 4.465 4.640 -0.001 0.000 0.232 277 D C 0.437 176.733 176.300 -0.008 0.000 1.108 277 D CA 0.705 54.704 54.000 -0.002 0.000 1.117 277 D CB 0.082 40.879 40.800 -0.005 0.000 0.846 277 D HN 0.527 nan 8.370 nan 0.000 0.405 278 K N -0.472 119.921 120.400 -0.011 0.000 2.590 278 K HA 0.104 4.423 4.320 -0.001 0.000 0.218 278 K C 0.110 176.690 176.600 -0.034 0.000 1.536 278 K CA 0.023 56.289 56.287 -0.034 0.000 1.013 278 K CB 1.361 33.825 32.500 -0.060 0.000 1.265 278 K HN 0.244 nan 8.250 nan 0.000 0.603 279 S N 0.699 116.415 115.700 0.026 0.000 2.582 279 S HA 0.218 4.687 4.470 -0.001 0.000 0.296 279 S C -0.185 174.485 174.600 0.117 0.000 1.118 279 S CA -0.495 57.758 58.200 0.089 0.000 0.947 279 S CB 0.867 64.180 63.200 0.189 0.000 1.131 279 S HN -0.009 nan 8.310 nan 0.000 0.453 280 K N 2.370 122.826 120.400 0.093 0.000 2.504 280 K HA 0.040 4.359 4.320 -0.001 0.000 0.195 280 K C 1.344 178.018 176.600 0.123 0.000 1.036 280 K CA 0.328 56.664 56.287 0.081 0.000 0.984 280 K CB 0.114 32.648 32.500 0.057 0.000 0.788 280 K HN 0.557 nan 8.250 nan 0.000 0.488 281 E N 0.016 120.333 120.200 0.196 0.000 2.072 281 E HA -0.032 4.317 4.350 -0.001 0.000 0.190 281 E C -0.269 176.511 176.600 0.300 0.000 0.982 281 E CA 0.659 57.222 56.400 0.272 0.000 0.803 281 E CB 0.237 30.159 29.700 0.370 0.000 0.755 281 E HN 0.071 nan 8.360 nan 0.000 0.453 282 F N 0.451 120.411 119.950 0.017 0.000 2.588 282 F HA 0.303 4.829 4.527 -0.002 0.000 0.314 282 F C -1.648 174.095 175.800 -0.095 0.000 1.134 282 F CA -0.970 56.865 58.000 -0.276 0.000 0.961 282 F CB 1.326 39.641 39.000 -1.141 0.000 1.239 282 F HN -0.345 nan 8.300 nan 0.000 0.448 283 Q N 6.236 125.624 119.800 -0.686 0.000 2.413 283 Q HA 0.357 4.696 4.340 -0.001 0.000 0.258 283 Q C 0.720 176.070 176.000 -1.083 0.000 1.037 283 Q CA -0.494 54.909 55.803 -0.667 0.000 0.764 283 Q CB 1.656 30.242 28.738 -0.253 0.000 1.217 283 Q HN 0.825 nan 8.270 nan 0.000 0.490 284 L N 1.670 122.114 121.223 -1.297 0.000 2.051 284 L HA -0.159 4.180 4.340 -0.001 0.000 0.214 284 L C 0.430 176.785 176.870 -0.859 0.000 1.076 284 L CA 2.030 56.156 54.840 -1.190 0.000 0.758 284 L CB -0.016 41.299 42.059 -1.239 0.000 0.890 284 L HN 0.672 nan 8.230 nan 0.000 0.433 285 F N -1.226 118.513 119.950 -0.352 0.000 2.713 285 F HA 0.369 4.895 4.527 -0.002 0.000 0.294 285 F C 0.767 176.474 175.800 -0.156 0.000 1.152 285 F CA -0.176 57.685 58.000 -0.232 0.000 1.385 285 F CB -0.321 38.486 39.000 -0.321 0.000 0.981 285 F HN -0.063 nan 8.300 nan 0.000 0.514 286 S N -0.127 115.538 115.700 -0.059 0.000 2.672 286 S HA 0.436 4.905 4.470 -0.001 0.000 0.291 286 S C -0.325 174.284 174.600 0.016 0.000 1.145 286 S CA -0.472 57.718 58.200 -0.017 0.000 1.013 286 S CB 0.743 63.917 63.200 -0.043 0.000 1.017 286 S HN -0.000 nan 8.310 nan 0.000 0.487 287 S N 6.401 122.127 115.700 0.045 0.000 2.405 287 S HA 0.231 4.700 4.470 -0.001 0.000 0.291 287 S C -1.823 172.806 174.600 0.048 0.000 1.137 287 S CA -0.818 57.426 58.200 0.075 0.000 1.061 287 S CB 0.947 64.192 63.200 0.075 0.000 1.001 287 S HN 0.576 nan 8.310 nan 0.000 0.507 288 P HA 0.009 nan 4.420 nan 0.000 0.225 288 P C 0.278 177.410 177.300 -0.281 0.000 1.156 288 P CA 0.984 64.035 63.100 -0.083 0.000 0.787 288 P CB 0.167 31.826 31.700 -0.068 0.000 0.802 289 H N -2.858 116.131 119.070 -0.135 0.000 2.874 289 H HA 0.457 5.012 4.556 -0.001 0.000 0.264 289 H C 1.206 176.324 175.328 -0.350 0.000 1.007 289 H CA 0.564 56.418 56.048 -0.324 0.000 1.207 289 H CB 0.512 29.952 29.762 -0.537 0.000 1.487 289 H HN 0.095 nan 8.280 nan 0.000 0.505 290 G N -0.833 107.953 108.800 -0.023 0.000 2.696 290 G HA2 0.406 4.365 3.960 -0.001 0.000 0.151 290 G HA3 0.406 4.365 3.960 -0.001 0.000 0.151 290 G C -1.460 173.478 174.900 0.064 0.000 1.197 290 G CA -0.671 44.460 45.100 0.052 0.000 1.053 290 G HN -0.019 nan 8.290 nan 0.000 0.546 291 K N 0.726 121.180 120.400 0.089 0.000 2.464 291 K HA 0.564 4.883 4.320 -0.001 0.000 0.253 291 K C -1.166 175.486 176.600 0.086 0.000 0.933 291 K CA -0.436 55.895 56.287 0.073 0.000 0.801 291 K CB 1.409 33.945 32.500 0.061 0.000 1.271 291 K HN 0.432 nan 8.250 nan 0.000 0.430 292 D N 1.989 122.435 120.400 0.077 0.000 2.697 292 D HA -0.194 4.445 4.640 -0.001 0.000 0.238 292 D C -0.914 175.452 176.300 0.110 0.000 1.152 292 D CA 0.619 54.670 54.000 0.085 0.000 0.666 292 D CB -0.779 40.058 40.800 0.061 0.000 1.037 292 D HN 0.182 nan 8.370 nan 0.000 0.423 293 L N 0.772 122.055 121.223 0.100 0.000 2.283 293 L HA 0.267 4.607 4.340 -0.001 0.000 0.287 293 L C 1.768 178.634 176.870 -0.006 0.000 1.073 293 L CA 0.140 55.027 54.840 0.079 0.000 0.822 293 L CB 0.459 42.571 42.059 0.089 0.000 1.186 293 L HN 0.323 nan 8.230 nan 0.000 0.436 294 L N 1.303 122.492 121.223 -0.057 0.000 4.423 294 L HA -0.331 4.009 4.340 -0.001 0.000 0.380 294 L C -0.370 176.035 176.870 -0.774 0.000 0.737 294 L CA 1.261 55.861 54.840 -0.400 0.000 2.597 294 L CB -1.248 40.378 42.059 -0.722 0.000 0.969 294 L HN 0.385 nan 8.230 nan 0.000 0.664 295 F N -0.768 119.325 119.950 0.238 0.000 2.645 295 F HA 0.494 5.020 4.527 -0.002 0.000 0.310 295 F C 0.366 176.256 175.800 0.150 0.000 1.102 295 F CA -1.054 57.134 58.000 0.313 0.000 0.952 295 F CB 1.093 40.289 39.000 0.327 0.000 1.326 295 F HN -0.266 nan 8.300 nan 0.000 0.456 296 K N 0.818 121.352 120.400 0.224 0.000 2.326 296 K HA 0.108 4.427 4.320 -0.001 0.000 0.275 296 K C -0.280 176.348 176.600 0.047 0.000 1.018 296 K CA -0.208 56.094 56.287 0.026 0.000 0.962 296 K CB 0.621 33.103 32.500 -0.031 0.000 0.953 296 K HN 0.506 nan 8.250 nan 0.000 0.475 297 D N 0.627 121.041 120.400 0.023 0.000 2.363 297 D HA -0.069 4.570 4.640 -0.001 0.000 0.226 297 D C 1.134 177.373 176.300 -0.102 0.000 1.020 297 D CA 0.793 54.794 54.000 0.003 0.000 0.892 297 D CB 0.167 40.976 40.800 0.014 0.000 0.900 297 D HN 0.460 nan 8.370 nan 0.000 0.531 298 S N -0.975 114.630 115.700 -0.160 0.000 2.535 298 S HA 0.309 4.778 4.470 -0.001 0.000 0.214 298 S C 1.119 175.290 174.600 -0.715 0.000 0.980 298 S CA -0.449 57.586 58.200 -0.275 0.000 0.907 298 S CB 0.340 63.517 63.200 -0.038 0.000 0.790 298 S HN 0.165 nan 8.310 nan 0.000 0.510 299 A N 2.071 124.352 122.820 -0.898 0.000 2.520 299 A HA 0.305 4.624 4.320 -0.001 0.000 0.245 299 A C 0.857 177.472 177.584 -1.616 0.000 1.072 299 A CA -0.138 50.997 52.037 -1.505 0.000 0.761 299 A CB -0.077 18.141 19.000 -1.303 0.000 1.004 299 A HN 0.479 nan 8.150 nan 0.000 0.499 300 H N 1.670 119.896 119.070 -1.407 0.000 2.525 300 H HA 0.264 4.819 4.556 -0.001 0.000 0.275 300 H C 1.223 175.619 175.328 -1.553 0.000 0.984 300 H CA 1.085 56.432 56.048 -1.168 0.000 1.264 300 H CB 0.599 29.971 29.762 -0.650 0.000 1.432 300 H HN 0.928 nan 8.280 nan 0.000 0.549 301 G N -0.746 106.824 108.800 -2.050 0.000 2.341 301 G HA2 0.320 4.279 3.960 -0.001 0.000 0.299 301 G HA3 0.320 4.279 3.960 -0.001 0.000 0.299 301 G C -1.886 172.412 174.900 -1.004 0.000 1.274 301 G CA -0.783 43.413 45.100 -1.506 0.000 0.853 301 G HN -0.025 nan 8.290 nan 0.000 0.493 302 F N -0.114 119.926 119.950 0.149 0.000 2.532 302 F HA 0.818 5.344 4.527 -0.001 0.000 0.321 302 F C 0.192 176.418 175.800 0.710 0.000 1.089 302 F CA -1.065 57.180 58.000 0.409 0.000 0.926 302 F CB 2.152 41.375 39.000 0.372 0.000 1.168 302 F HN 0.268 nan 8.300 nan 0.000 0.459 303 L N 2.428 124.156 121.223 0.842 0.000 2.386 303 L HA 0.450 4.789 4.340 -0.001 0.000 0.271 303 L C -0.287 176.717 176.870 0.224 0.000 0.993 303 L CA -0.992 54.186 54.840 0.563 0.000 0.819 303 L CB 2.303 44.640 42.059 0.464 0.000 1.294 303 L HN 0.522 nan 8.230 nan 0.000 0.414 304 K N 1.977 122.084 120.400 -0.488 0.000 2.322 304 K HA 0.349 4.668 4.320 -0.001 0.000 0.283 304 K C -0.904 175.425 176.600 -0.451 0.000 1.042 304 K CA -0.451 55.255 56.287 -0.967 0.000 0.958 304 K CB 1.101 32.559 32.500 -1.736 0.000 0.984 304 K HN 0.324 nan 8.250 nan 0.000 0.473 305 V N 7.314 126.926 119.914 -0.504 0.000 2.461 305 V HA 0.188 4.307 4.120 -0.001 0.000 0.275 305 V C -2.061 173.664 176.094 -0.616 0.000 1.047 305 V CA -1.967 59.872 62.300 -0.769 0.000 0.955 305 V CB 1.013 32.468 31.823 -0.612 0.000 0.988 305 V HN 0.855 nan 8.190 nan 0.000 0.471 306 P HA 0.059 nan 4.420 nan 0.000 0.264 306 P C -1.639 175.499 177.300 -0.271 0.000 1.183 306 P CA -0.797 62.097 63.100 -0.344 0.000 0.763 306 P CB 0.116 31.663 31.700 -0.255 0.000 0.807 307 P HA -0.139 nan 4.420 nan 0.000 0.219 307 P C 0.676 177.912 177.300 -0.107 0.000 1.146 307 P CA 1.206 64.224 63.100 -0.138 0.000 0.808 307 P CB 0.271 31.913 31.700 -0.097 0.000 0.779 311 A N 1.107 123.905 122.820 -0.037 0.000 1.896 311 A HA -0.172 4.147 4.320 -0.001 0.000 0.220 311 A C 1.138 178.665 177.584 -0.094 0.000 1.206 311 A CA 1.411 53.404 52.037 -0.072 0.000 0.647 311 A CB -0.827 18.066 19.000 -0.178 0.000 0.828 311 A HN 0.556 nan 8.150 nan 0.000 0.455 315 L N 1.153 122.399 121.223 0.039 0.000 2.083 315 L HA 0.236 4.575 4.340 -0.001 0.000 0.209 315 L C 1.023 177.824 176.870 -0.116 0.000 1.083 315 L CA 1.535 56.312 54.840 -0.106 0.000 0.752 315 L CB -0.826 41.251 42.059 0.030 0.000 0.899 315 L HN 0.521 nan 8.230 nan 0.000 0.433 316 G N -1.705 107.072 108.800 -0.038 0.000 2.712 316 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.686 316 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.686 316 G C -0.041 174.870 174.900 0.018 0.000 1.181 316 G CA -0.119 44.964 45.100 -0.028 0.000 0.762 316 G HN 0.289 nan 8.290 nan 0.000 0.641 317 Y N 0.365 120.664 120.300 -0.001 0.000 2.241 317 Y HA -0.101 4.449 4.550 -0.001 0.000 0.286 317 Y C 2.141 178.039 175.900 -0.003 0.000 1.166 317 Y CA 2.542 60.639 58.100 -0.005 0.000 1.203 317 Y CB -0.318 38.134 38.460 -0.012 0.000 0.977 317 Y HN 0.665 nan 8.280 nan 0.000 0.529 318 E N 0.005 119.752 120.200 -0.756 0.000 2.028 318 E HA -0.164 4.185 4.350 -0.001 0.000 0.191 318 E C 1.960 178.420 176.600 -0.234 0.000 0.988 318 E CA 1.580 57.633 56.400 -0.578 0.000 0.799 318 E CB -0.911 28.482 29.700 -0.513 0.000 0.755 318 E HN 0.614 nan 8.360 nan 0.000 0.447 319 Y N 1.222 121.364 120.300 -0.263 0.000 2.081 319 Y HA -0.289 4.260 4.550 -0.002 0.000 0.280 319 Y C 2.184 177.943 175.900 -0.235 0.000 1.163 319 Y CA 1.449 59.417 58.100 -0.220 0.000 1.135 319 Y CB -0.440 37.899 38.460 -0.202 0.000 0.970 319 Y HN -0.126 nan 8.280 nan 0.000 0.498 320 V N -0.902 118.944 119.914 -0.114 0.000 2.282 320 V HA -0.387 3.732 4.120 -0.001 0.000 0.249 320 V C 2.299 178.231 176.094 -0.270 0.000 1.057 320 V CA 2.479 64.644 62.300 -0.225 0.000 1.032 320 V CB -1.260 30.533 31.823 -0.050 0.000 0.645 320 V HN 0.452 nan 8.190 nan 0.000 0.447 321 T N -0.049 114.405 114.554 -0.167 0.000 2.788 321 T HA -0.133 4.216 4.350 -0.001 0.000 0.268 321 T C 2.010 176.569 174.700 -0.235 0.000 1.044 321 T CA 1.589 63.603 62.100 -0.144 0.000 1.139 321 T CB -0.339 68.499 68.868 -0.051 0.000 0.867 321 T HN 0.597 nan 8.240 nan 0.000 0.454 322 A N 1.001 123.634 122.820 -0.312 0.000 1.873 322 A HA 0.072 4.391 4.320 -0.001 0.000 0.215 322 A C 2.263 179.585 177.584 -0.437 0.000 1.186 322 A CA 1.071 52.891 52.037 -0.361 0.000 0.616 322 A CB -0.759 18.002 19.000 -0.398 0.000 0.823 322 A HN 0.535 nan 8.150 nan 0.000 0.442 323 I N -1.061 119.155 120.570 -0.590 0.000 2.493 323 I HA -0.207 3.962 4.170 -0.001 0.000 0.254 323 I C 2.518 178.372 176.117 -0.439 0.000 1.160 323 I CA 0.893 61.853 61.300 -0.567 0.000 1.445 323 I CB -0.098 37.442 38.000 -0.767 0.000 1.086 323 I HN 0.268 nan 8.210 nan 0.000 0.433 324 R N 0.471 120.736 120.500 -0.392 0.000 2.073 324 R HA -0.090 4.249 4.340 -0.001 0.000 0.229 324 R C 1.904 178.040 176.300 -0.274 0.000 1.120 324 R CA 1.635 57.584 56.100 -0.253 0.000 0.967 324 R CB -0.670 29.535 30.300 -0.160 0.000 0.862 324 R HN 0.557 nan 8.270 nan 0.000 0.436 325 N N 0.507 119.008 118.700 -0.331 0.000 2.104 325 N HA -0.178 4.561 4.740 -0.001 0.000 0.190 325 N C 1.609 176.635 175.510 -0.808 0.000 1.024 325 N CA 0.829 53.573 53.050 -0.510 0.000 0.853 325 N CB -0.058 38.199 38.487 -0.383 0.000 1.008 325 N HN -0.023 nan 8.380 nan 0.000 0.424 326 L N 1.138 122.032 121.223 -0.547 0.000 1.988 326 L HA -0.087 4.252 4.340 -0.001 0.000 0.207 326 L C 2.367 179.053 176.870 -0.307 0.000 1.071 326 L CA 1.520 56.101 54.840 -0.431 0.000 0.744 326 L CB -0.793 41.118 42.059 -0.247 0.000 0.893 326 L HN -0.015 nan 8.230 nan 0.000 0.433 327 R N -0.236 120.134 120.500 -0.217 0.000 2.082 327 R HA -0.145 4.194 4.340 -0.001 0.000 0.234 327 R C 2.230 178.463 176.300 -0.111 0.000 1.136 327 R CA 1.720 57.754 56.100 -0.110 0.000 0.935 327 R CB -0.358 29.922 30.300 -0.032 0.000 0.842 327 R HN 0.481 nan 8.270 nan 0.000 0.430 328 E N -1.810 118.309 120.200 -0.136 0.000 2.011 328 E HA 0.112 4.461 4.350 -0.001 0.000 0.191 328 E C 0.428 176.942 176.600 -0.143 0.000 0.980 328 E CA 0.822 57.159 56.400 -0.104 0.000 0.814 328 E CB 0.050 29.702 29.700 -0.080 0.000 0.775 328 E HN 0.446 nan 8.360 nan 0.000 0.454 329 G N 1.465 110.110 108.800 -0.259 0.000 2.600 329 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.251 329 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.251 329 G C -0.428 174.468 174.900 -0.006 0.000 1.142 329 G CA 0.086 45.037 45.100 -0.248 0.000 0.994 329 G HN 0.149 nan 8.290 nan 0.000 0.511 330 T N 0.107 114.650 114.554 -0.018 0.000 2.847 330 T HA 0.538 4.888 4.350 -0.001 0.000 0.291 330 T C -0.049 174.683 174.700 0.053 0.000 0.998 330 T CA -0.335 61.782 62.100 0.029 0.000 0.967 330 T CB 1.636 70.504 68.868 -0.000 0.000 0.954 330 T HN 0.574 nan 8.240 nan 0.000 0.441 331 c N 4.865 123.506 118.600 0.069 0.000 2.369 331 c HA 0.601 5.170 4.570 -0.001 0.000 0.322 331 c C -1.004 173.103 174.090 0.027 0.000 1.258 331 c CA -1.181 55.180 56.329 0.054 0.000 1.487 331 c CB 0.567 43.111 42.510 0.057 0.000 2.165 331 c HN 0.800 nan 8.230 nan 0.000 0.483 332 P HA 0.303 nan 4.420 nan 0.000 0.339 332 P C -0.446 176.859 177.300 0.009 0.000 1.413 332 P CA -0.153 62.954 63.100 0.011 0.000 0.833 332 P CB 0.392 32.097 31.700 0.009 0.000 2.004 333 E N -2.015 118.189 120.200 0.006 0.000 2.390 333 E HA 0.462 4.811 4.350 -0.001 0.000 0.280 333 E C -1.679 174.924 176.600 0.006 0.000 0.992 333 E CA -0.422 55.981 56.400 0.005 0.000 0.790 333 E CB 1.434 31.137 29.700 0.004 0.000 1.248 333 E HN 0.522 nan 8.360 nan 0.000 0.447 334 A N 2.819 125.642 122.820 0.006 0.000 2.734 334 A HA -0.079 4.241 4.320 -0.001 0.000 0.294 334 A C -2.102 175.487 177.584 0.009 0.000 1.455 334 A CA 0.537 52.578 52.037 0.007 0.000 0.730 334 A CB -1.396 17.608 19.000 0.007 0.000 1.077 334 A HN 0.455 nan 8.150 nan 0.000 0.448 335 P HA 0.153 nan 4.420 nan 0.000 0.235 335 P C 0.574 177.883 177.300 0.015 0.000 1.725 335 P CA 0.905 64.012 63.100 0.013 0.000 0.894 335 P CB -0.189 31.519 31.700 0.013 0.000 1.704 336 T N -1.836 112.726 114.554 0.014 0.000 1.672 336 T HA 0.117 4.466 4.350 -0.001 0.000 0.180 336 T C 1.074 175.783 174.700 0.016 0.000 0.699 336 T CA -0.096 62.014 62.100 0.015 0.000 1.153 336 T CB -0.509 68.367 68.868 0.014 0.000 3.217 336 T HN -0.076 nan 8.240 nan 0.000 0.426 337 D N 1.437 121.846 120.400 0.015 0.000 2.203 337 D HA -0.090 4.549 4.640 -0.001 0.000 0.199 337 D C 0.984 177.294 176.300 0.017 0.000 0.997 337 D CA 0.995 55.005 54.000 0.016 0.000 0.863 337 D CB -0.544 40.265 40.800 0.015 0.000 0.928 337 D HN 0.482 nan 8.370 nan 0.000 0.458 338 E N 0.754 120.962 120.200 0.014 0.000 2.188 338 E HA -0.080 4.269 4.350 -0.001 0.000 0.243 338 E C -0.948 175.660 176.600 0.013 0.000 1.269 338 E CA -0.080 56.327 56.400 0.013 0.000 0.979 338 E CB -0.741 28.965 29.700 0.010 0.000 1.076 338 E HN 0.039 nan 8.360 nan 0.000 0.452 339 c N 7.476 126.086 118.600 0.016 0.000 2.459 339 c HA 0.113 4.682 4.570 -0.001 0.000 0.358 339 c C 0.333 174.430 174.090 0.011 0.000 1.162 339 c CA -0.722 55.618 56.329 0.018 0.000 1.559 339 c CB -1.026 41.500 42.510 0.027 0.000 2.132 339 c HN 0.570 nan 8.230 nan 0.000 0.536 340 K N 4.528 124.931 120.400 0.005 0.000 2.561 340 K HA 0.006 4.325 4.320 -0.001 0.000 0.280 340 K C -2.160 174.436 176.600 -0.006 0.000 0.975 340 K CA -0.419 55.866 56.287 -0.002 0.000 1.024 340 K CB -0.133 32.364 32.500 -0.006 0.000 0.883 340 K HN 0.400 nan 8.250 nan 0.000 0.496 341 P HA -0.084 nan 4.420 nan 0.000 0.264 341 P C -0.605 176.680 177.300 -0.026 0.000 1.179 341 P CA 0.028 63.110 63.100 -0.031 0.000 0.763 341 P CB 0.371 32.043 31.700 -0.047 0.000 0.806 342 V N 5.038 124.939 119.914 -0.022 0.000 2.405 342 V HA 0.053 4.172 4.120 -0.001 0.000 0.264 342 V C 0.790 176.887 176.094 0.005 0.000 1.048 342 V CA -0.001 62.307 62.300 0.012 0.000 0.966 342 V CB -0.256 31.615 31.823 0.081 0.000 1.015 342 V HN 0.428 nan 8.190 nan 0.000 0.477 343 K N 5.930 126.325 120.400 -0.007 0.000 2.338 343 K HA 0.150 4.469 4.320 -0.001 0.000 0.290 343 K C -0.178 176.439 176.600 0.029 0.000 1.069 343 K CA -0.160 56.124 56.287 -0.005 0.000 0.941 343 K CB 0.833 33.314 32.500 -0.032 0.000 1.023 343 K HN 0.678 nan 8.250 nan 0.000 0.477 344 W N 3.400 124.630 121.300 -0.117 0.000 2.253 344 W HA 0.259 4.918 4.660 -0.002 0.000 0.348 344 W C -0.521 175.966 176.519 -0.053 0.000 1.229 344 W CA -0.826 56.477 57.345 -0.070 0.000 1.335 344 W CB 1.481 30.907 29.460 -0.057 0.000 1.165 344 W HN 0.417 nan 8.180 nan 0.000 0.631 345 c N 4.193 122.691 118.600 -0.170 0.000 2.301 345 c HA 0.726 5.295 4.570 -0.001 0.000 0.323 345 c C 0.146 174.279 174.090 0.073 0.000 1.265 345 c CA -0.350 55.940 56.329 -0.064 0.000 1.503 345 c CB -0.675 41.720 42.510 -0.191 0.000 2.195 345 c HN 0.556 nan 8.230 nan 0.000 0.477 346 A N 5.260 128.146 122.820 0.110 0.000 2.301 346 A HA 0.695 5.014 4.320 -0.001 0.000 0.312 346 A C -0.048 177.568 177.584 0.054 0.000 1.182 346 A CA -0.467 51.641 52.037 0.119 0.000 0.826 346 A CB 0.444 19.517 19.000 0.122 0.000 1.134 346 A HN 1.175 nan 8.150 nan 0.000 0.501 347 L N 1.048 122.299 121.223 0.046 0.000 3.141 347 L HA 0.550 4.889 4.340 -0.001 0.000 0.267 347 L C 0.104 177.000 176.870 0.044 0.000 1.281 347 L CA -0.105 54.746 54.840 0.018 0.000 1.037 347 L CB -1.005 41.037 42.059 -0.028 0.000 1.407 347 L HN 0.713 nan 8.230 nan 0.000 0.566 348 S N -3.824 111.921 115.700 0.076 0.000 2.614 348 S HA 0.293 4.762 4.470 -0.001 0.000 0.280 348 S C 0.441 175.129 174.600 0.147 0.000 1.111 348 S CA -0.408 57.859 58.200 0.111 0.000 0.847 348 S CB 0.626 63.903 63.200 0.128 0.000 1.079 348 S HN 0.257 nan 8.310 nan 0.000 0.452 349 H N 1.465 120.548 119.070 0.022 0.000 2.289 349 H HA -0.108 4.446 4.556 -0.003 0.000 0.296 349 H C 1.618 176.897 175.328 -0.082 0.000 1.091 349 H CA 3.025 59.044 56.048 -0.049 0.000 1.274 349 H CB -0.650 29.049 29.762 -0.105 0.000 1.364 349 H HN 0.855 nan 8.280 nan 0.000 0.490 350 H N -0.124 118.961 119.070 0.024 0.000 2.421 350 H HA -0.048 4.508 4.556 -0.001 0.000 0.298 350 H C 2.257 177.570 175.328 -0.025 0.000 1.087 350 H CA 1.369 57.379 56.048 -0.064 0.000 1.330 350 H CB 0.097 29.862 29.762 0.004 0.000 1.388 350 H HN 0.527 nan 8.280 nan 0.000 0.526 351 E N -0.033 120.241 120.200 0.124 0.000 2.204 351 E HA -0.175 4.174 4.350 -0.001 0.000 0.194 351 E C 2.095 178.739 176.600 0.072 0.000 0.989 351 E CA 0.470 56.934 56.400 0.106 0.000 0.824 351 E CB 0.166 29.935 29.700 0.115 0.000 0.756 351 E HN 0.227 nan 8.360 nan 0.000 0.477 352 R N 0.919 121.434 120.500 0.025 0.000 2.055 352 R HA -0.036 4.303 4.340 -0.001 0.000 0.226 352 R C 2.216 178.484 176.300 -0.053 0.000 1.135 352 R CA 0.961 57.065 56.100 0.006 0.000 0.959 352 R CB -0.573 29.740 30.300 0.022 0.000 0.854 352 R HN 0.077 nan 8.270 nan 0.000 0.431 353 L N 0.902 122.028 121.223 -0.161 0.000 2.043 353 L HA -0.232 4.107 4.340 -0.001 0.000 0.212 353 L C 2.644 179.471 176.870 -0.071 0.000 1.075 353 L CA 2.030 56.775 54.840 -0.158 0.000 0.752 353 L CB -0.591 41.319 42.059 -0.248 0.000 0.891 353 L HN 0.291 nan 8.230 nan 0.000 0.432 354 K N -0.331 120.064 120.400 -0.007 0.000 2.062 354 K HA -0.194 4.126 4.320 -0.001 0.000 0.205 354 K C 2.379 179.009 176.600 0.050 0.000 1.051 354 K CA 1.517 57.832 56.287 0.047 0.000 0.941 354 K CB -0.243 32.337 32.500 0.133 0.000 0.719 354 K HN 0.371 nan 8.250 nan 0.000 0.440 355 c N 1.869 120.518 118.600 0.082 0.000 2.413 355 c HA -0.124 4.445 4.570 -0.001 0.000 0.277 355 c C 2.076 176.159 174.090 -0.011 0.000 1.265 355 c CA 1.267 57.667 56.329 0.118 0.000 1.752 355 c CB -0.923 41.657 42.510 0.117 0.000 1.998 355 c HN 0.524 nan 8.230 nan 0.000 0.489 356 D N 0.157 120.525 120.400 -0.054 0.000 2.097 356 D HA -0.146 4.494 4.640 -0.001 0.000 0.195 356 D C 2.178 178.374 176.300 -0.173 0.000 0.989 356 D CA 1.547 55.485 54.000 -0.104 0.000 0.827 356 D CB -0.551 40.196 40.800 -0.088 0.000 0.966 356 D HN 0.732 nan 8.370 nan 0.000 0.456 357 E N -0.539 119.528 120.200 -0.222 0.000 2.051 357 E HA -0.176 4.173 4.350 -0.001 0.000 0.192 357 E C 2.014 178.233 176.600 -0.634 0.000 0.991 357 E CA 0.752 56.915 56.400 -0.396 0.000 0.799 357 E CB -0.158 29.290 29.700 -0.420 0.000 0.748 357 E HN 0.255 nan 8.360 nan 0.000 0.449 358 W N 1.515 122.260 121.300 -0.926 0.000 2.321 358 W HA -0.210 4.449 4.660 -0.002 0.000 0.306 358 W C 2.488 178.705 176.519 -0.504 0.000 1.217 358 W CA 1.878 58.688 57.345 -0.892 0.000 1.257 358 W CB -1.022 28.229 29.460 -0.349 0.000 1.145 358 W HN 0.070 nan 8.180 nan 0.000 0.509 359 S N -0.261 115.247 115.700 -0.319 0.000 2.370 359 S HA -0.190 4.279 4.470 -0.001 0.000 0.226 359 S C 1.950 176.400 174.600 -0.250 0.000 1.033 359 S CA 2.085 60.072 58.200 -0.355 0.000 1.011 359 S CB -0.748 62.303 63.200 -0.248 0.000 0.852 359 S HN 0.057 nan 8.310 nan 0.000 0.457 360 V N 2.659 122.436 119.914 -0.229 0.000 2.261 360 V HA -0.196 3.923 4.120 -0.001 0.000 0.246 360 V C 2.162 178.174 176.094 -0.137 0.000 1.047 360 V CA 2.285 64.484 62.300 -0.168 0.000 1.015 360 V CB -1.020 30.705 31.823 -0.164 0.000 0.642 360 V HN 0.604 nan 8.190 nan 0.000 0.446 361 N N 0.444 119.021 118.700 -0.205 0.000 2.519 361 N HA -0.130 4.609 4.740 -0.001 0.000 0.186 361 N C 1.779 177.335 175.510 0.077 0.000 1.062 361 N CA 1.212 54.207 53.050 -0.092 0.000 0.910 361 N CB -0.057 38.248 38.487 -0.303 0.000 0.958 361 N HN 0.640 nan 8.380 nan 0.000 0.445 362 S N -0.153 115.540 115.700 -0.012 0.000 2.501 362 S HA 0.053 4.522 4.470 -0.001 0.000 0.220 362 S C 0.855 175.481 174.600 0.044 0.000 0.997 362 S CA -0.171 58.079 58.200 0.083 0.000 0.919 362 S CB 0.126 63.276 63.200 -0.084 0.000 0.778 362 S HN 0.033 nan 8.310 nan 0.000 0.523 363 V N 1.476 121.386 119.914 -0.006 0.000 6.216 363 V HA -0.090 4.029 4.120 -0.001 0.000 0.313 363 V C 1.491 177.570 176.094 -0.024 0.000 0.538 363 V CA 0.499 62.795 62.300 -0.007 0.000 0.645 363 V CB -2.830 29.009 31.823 0.027 0.000 0.287 363 V HN 1.164 nan 8.190 nan 0.000 0.833 364 G N -0.338 108.426 108.800 -0.060 0.000 2.320 364 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.242 364 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.242 364 G C 0.912 175.767 174.900 -0.074 0.000 1.033 364 G CA 0.477 45.539 45.100 -0.063 0.000 0.620 364 G HN 0.578 nan 8.290 nan 0.000 0.517 365 K N -0.092 120.273 120.400 -0.059 0.000 2.089 365 K HA -0.035 4.284 4.320 -0.001 0.000 0.210 365 K C 1.202 177.724 176.600 -0.132 0.000 1.048 365 K CA 1.264 57.519 56.287 -0.053 0.000 0.926 365 K CB -0.102 32.400 32.500 0.003 0.000 0.714 365 K HN 0.484 nan 8.250 nan 0.000 0.448 366 I N 1.100 121.510 120.570 -0.267 0.000 2.569 366 I HA 0.234 4.403 4.170 -0.001 0.000 0.296 366 I C 0.040 175.964 176.117 -0.321 0.000 1.028 366 I CA -0.605 60.441 61.300 -0.423 0.000 1.082 366 I CB 2.020 39.401 38.000 -1.031 0.000 1.264 366 I HN 0.031 nan 8.210 nan 0.000 0.429 367 E N 3.519 123.588 120.200 -0.218 0.000 2.410 367 E HA 0.642 4.991 4.350 -0.001 0.000 0.269 367 E C -1.531 175.028 176.600 -0.068 0.000 0.937 367 E CA -0.573 55.747 56.400 -0.132 0.000 0.793 367 E CB 2.665 32.317 29.700 -0.080 0.000 1.314 367 E HN 0.495 nan 8.360 nan 0.000 0.447 368 c N 0.996 119.573 118.600 -0.037 0.000 2.626 368 c HA 0.717 5.286 4.570 -0.001 0.000 0.310 368 c C -0.622 173.476 174.090 0.012 0.000 1.191 368 c CA -0.783 55.558 56.329 0.019 0.000 1.517 368 c CB 1.271 43.794 42.510 0.021 0.000 2.102 368 c HN 0.478 nan 8.230 nan 0.000 0.479 369 V N 2.533 122.463 119.914 0.027 0.000 2.686 369 V HA 0.678 4.797 4.120 -0.001 0.000 0.306 369 V C -0.385 175.720 176.094 0.018 0.000 1.065 369 V CA 0.186 62.491 62.300 0.008 0.000 0.894 369 V CB 2.343 34.159 31.823 -0.011 0.000 1.004 369 V HN 1.033 nan 8.190 nan 0.000 0.424 370 S N 4.601 120.310 115.700 0.016 0.000 2.578 370 S HA 0.942 5.411 4.470 -0.001 0.000 0.283 370 S C -0.161 174.442 174.600 0.004 0.000 1.195 370 S CA -0.002 58.211 58.200 0.021 0.000 1.050 370 S CB 1.630 64.849 63.200 0.031 0.000 1.012 370 S HN 1.472 nan 8.310 nan 0.000 0.511 371 A N 1.030 123.850 122.820 -0.000 0.000 2.549 371 A HA 0.561 4.880 4.320 -0.001 0.000 0.297 371 A C 0.531 178.108 177.584 -0.012 0.000 1.061 371 A CA -0.645 51.383 52.037 -0.015 0.000 0.690 371 A CB 1.060 20.038 19.000 -0.037 0.000 1.287 371 A HN 0.822 nan 8.150 nan 0.000 0.402 372 E N 0.450 120.642 120.200 -0.014 0.000 2.007 372 E HA -0.080 4.270 4.350 -0.001 0.000 0.194 372 E C 1.001 177.589 176.600 -0.019 0.000 0.999 372 E CA 1.969 58.363 56.400 -0.009 0.000 0.811 372 E CB 0.025 29.720 29.700 -0.008 0.000 0.762 372 E HN 0.859 nan 8.360 nan 0.000 0.450 373 T N -3.673 110.860 114.554 -0.035 0.000 2.938 373 T HA 0.244 4.593 4.350 -0.001 0.000 0.285 373 T C 1.010 175.640 174.700 -0.117 0.000 1.028 373 T CA -0.323 61.742 62.100 -0.058 0.000 1.005 373 T CB 1.426 70.271 68.868 -0.038 0.000 1.157 373 T HN -0.142 nan 8.240 nan 0.000 0.550 374 T N 0.349 114.780 114.554 -0.204 0.000 2.746 374 T HA -0.071 4.278 4.350 -0.001 0.000 0.267 374 T C 1.760 176.273 174.700 -0.311 0.000 1.039 374 T CA 1.606 63.488 62.100 -0.363 0.000 1.142 374 T CB -0.442 67.963 68.868 -0.772 0.000 0.866 374 T HN 0.703 nan 8.240 nan 0.000 0.444 375 E N 0.542 120.616 120.200 -0.211 0.000 2.160 375 E HA -0.159 4.191 4.350 -0.001 0.000 0.195 375 E C 1.900 178.454 176.600 -0.078 0.000 0.991 375 E CA 1.100 57.443 56.400 -0.095 0.000 0.810 375 E CB -0.081 29.624 29.700 0.008 0.000 0.742 375 E HN 0.457 nan 8.360 nan 0.000 0.466 376 D N 0.177 120.532 120.400 -0.075 0.000 2.097 376 D HA -0.137 4.503 4.640 -0.001 0.000 0.195 376 D C 1.992 178.247 176.300 -0.075 0.000 0.989 376 D CA 0.754 54.719 54.000 -0.058 0.000 0.827 376 D CB -0.604 40.169 40.800 -0.045 0.000 0.966 376 D HN 0.182 nan 8.370 nan 0.000 0.456 377 c N 0.522 119.059 118.600 -0.105 0.000 2.413 377 c HA -0.091 4.478 4.570 -0.001 0.000 0.276 377 c C 2.845 176.853 174.090 -0.136 0.000 1.248 377 c CA 0.187 56.441 56.329 -0.125 0.000 1.742 377 c CB -0.973 41.443 42.510 -0.157 0.000 2.017 377 c HN 0.341 nan 8.230 nan 0.000 0.481 378 I N 1.101 121.586 120.570 -0.140 0.000 2.361 378 I HA -0.198 3.971 4.170 -0.001 0.000 0.251 378 I C 2.642 178.705 176.117 -0.090 0.000 1.133 378 I CA 1.509 62.736 61.300 -0.122 0.000 1.413 378 I CB -0.475 37.467 38.000 -0.097 0.000 1.073 378 I HN 0.300 nan 8.210 nan 0.000 0.424 379 A N 0.583 123.361 122.820 -0.070 0.000 1.968 379 A HA -0.154 4.165 4.320 -0.001 0.000 0.217 379 A C 2.298 179.853 177.584 -0.048 0.000 1.169 379 A CA 1.281 53.291 52.037 -0.045 0.000 0.638 379 A CB -0.271 18.711 19.000 -0.029 0.000 0.812 379 A HN 0.297 nan 8.150 nan 0.000 0.446 380 K N -0.608 119.754 120.400 -0.063 0.000 2.167 380 K HA 0.158 4.477 4.320 -0.001 0.000 0.203 380 K C 0.441 176.988 176.600 -0.088 0.000 1.052 380 K CA 0.168 56.418 56.287 -0.062 0.000 0.956 380 K CB -0.151 32.311 32.500 -0.063 0.000 0.735 380 K HN 0.484 nan 8.250 nan 0.000 0.451 384 G N 1.752 110.504 108.800 -0.080 0.000 2.458 384 G HA2 -0.416 3.543 3.960 -0.001 0.000 0.237 384 G HA3 -0.416 3.543 3.960 -0.001 0.000 0.237 384 G C 0.690 175.556 174.900 -0.056 0.000 1.113 384 G CA 0.669 45.724 45.100 -0.075 0.000 0.655 384 G HN 0.441 nan 8.290 nan 0.000 0.513 385 E N 0.998 121.176 120.200 -0.035 0.000 2.333 385 E HA 0.223 4.572 4.350 -0.001 0.000 0.200 385 E C 1.281 177.852 176.600 -0.048 0.000 1.010 385 E CA 0.898 57.281 56.400 -0.029 0.000 0.841 385 E CB -0.072 29.619 29.700 -0.014 0.000 0.757 385 E HN 1.012 nan 8.360 nan 0.000 0.508 386 A N -0.053 122.721 122.820 -0.076 0.000 2.527 386 A HA 0.374 4.693 4.320 -0.001 0.000 0.293 386 A C -0.639 176.868 177.584 -0.127 0.000 1.117 386 A CA -0.798 51.178 52.037 -0.101 0.000 0.723 386 A CB 1.494 20.419 19.000 -0.125 0.000 1.313 386 A HN -0.107 nan 8.150 nan 0.000 0.411 387 D N -0.579 119.733 120.400 -0.148 0.000 2.482 387 D HA 0.472 5.112 4.640 -0.001 0.000 0.251 387 D C 0.551 176.711 176.300 -0.234 0.000 1.073 387 D CA 1.418 55.326 54.000 -0.153 0.000 0.892 387 D CB 1.149 41.895 40.800 -0.091 0.000 1.202 387 D HN 0.917 nan 8.370 nan 0.000 0.496 391 L N 3.079 124.330 121.223 0.047 0.000 2.376 391 L HA 0.608 4.947 4.340 -0.001 0.000 0.258 391 L C -0.778 176.039 176.870 -0.088 0.000 1.013 391 L CA -1.018 53.820 54.840 -0.003 0.000 0.822 391 L CB 2.059 44.142 42.059 0.040 0.000 1.388 391 L HN 0.786 nan 8.230 nan 0.000 0.413 392 D N 0.173 120.504 120.400 -0.115 0.000 2.432 392 D HA 0.238 4.878 4.640 -0.001 0.000 0.258 392 D C 1.135 177.481 176.300 0.078 0.000 1.146 392 D CA -0.069 53.782 54.000 -0.249 0.000 1.015 392 D CB 0.885 41.550 40.800 -0.225 0.000 1.107 392 D HN 0.540 nan 8.370 nan 0.000 0.529 393 G N -0.121 108.749 108.800 0.116 0.000 2.681 393 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.220 393 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.220 393 G C 1.466 176.534 174.900 0.280 0.000 1.210 393 G CA 1.549 46.755 45.100 0.178 0.000 0.783 393 G HN 0.697 nan 8.290 nan 0.000 0.609 394 G N 0.033 108.929 108.800 0.160 0.000 2.505 394 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.220 394 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.220 394 G C 1.614 176.468 174.900 -0.076 0.000 1.145 394 G CA 1.104 46.179 45.100 -0.042 0.000 0.761 394 G HN 0.376 nan 8.290 nan 0.000 0.571 395 F N -0.062 119.954 119.950 0.109 0.000 2.512 395 F HA 0.160 4.686 4.527 -0.001 0.000 0.296 395 F C 2.622 178.450 175.800 0.047 0.000 1.110 395 F CA -0.174 57.860 58.000 0.057 0.000 1.446 395 F CB -0.227 38.773 39.000 -0.001 0.000 1.092 395 F HN -0.028 nan 8.300 nan 0.000 0.554 396 V N -0.621 119.444 119.914 0.252 0.000 2.343 396 V HA -0.329 3.791 4.120 -0.001 0.000 0.247 396 V C 2.167 178.355 176.094 0.156 0.000 1.051 396 V CA 1.877 64.292 62.300 0.192 0.000 1.036 396 V CB -0.749 31.224 31.823 0.250 0.000 0.654 396 V HN 0.394 nan 8.190 nan 0.000 0.451 397 Y N 0.735 121.081 120.300 0.077 0.000 2.049 397 Y HA -0.263 4.286 4.550 -0.002 0.000 0.277 397 Y C 2.259 177.988 175.900 -0.285 0.000 1.143 397 Y CA 2.043 60.105 58.100 -0.064 0.000 1.115 397 Y CB -0.393 38.094 38.460 0.044 0.000 0.975 397 Y HN 0.188 nan 8.280 nan 0.000 0.487 398 I N 0.356 120.857 120.570 -0.115 0.000 2.163 398 I HA -0.357 3.812 4.170 -0.001 0.000 0.243 398 I C 2.650 178.630 176.117 -0.229 0.000 1.085 398 I CA 1.465 62.646 61.300 -0.199 0.000 1.347 398 I CB -0.855 37.190 38.000 0.074 0.000 1.044 398 I HN 0.371 nan 8.210 nan 0.000 0.408 399 A N 0.825 123.583 122.820 -0.103 0.000 2.019 399 A HA -0.098 4.221 4.320 -0.001 0.000 0.219 399 A C 2.380 179.829 177.584 -0.224 0.000 1.164 399 A CA 1.758 53.727 52.037 -0.114 0.000 0.644 399 A CB -1.277 17.691 19.000 -0.052 0.000 0.805 399 A HN 0.497 nan 8.150 nan 0.000 0.449 400 G N -0.095 108.448 108.800 -0.428 0.000 2.414 400 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.215 400 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.215 400 G C 1.457 175.940 174.900 -0.695 0.000 1.188 400 G CA 0.790 45.467 45.100 -0.705 0.000 0.783 400 G HN 0.392 nan 8.290 nan 0.000 0.537 401 K N 0.071 119.952 120.400 -0.863 0.000 2.442 401 K HA -0.004 4.315 4.320 -0.001 0.000 0.198 401 K C 1.810 178.266 176.600 -0.241 0.000 1.044 401 K CA 0.287 56.282 56.287 -0.487 0.000 0.948 401 K CB -0.568 31.625 32.500 -0.511 0.000 0.762 401 K HN 0.334 nan 8.250 nan 0.000 0.472 402 c N 0.209 118.675 118.600 -0.222 0.000 2.673 402 c HA 0.237 4.806 4.570 -0.001 0.000 0.274 402 c C 1.510 175.558 174.090 -0.070 0.000 1.276 402 c CA 0.222 56.483 56.329 -0.113 0.000 1.701 402 c CB -0.939 41.517 42.510 -0.091 0.000 1.836 402 c HN 0.701 nan 8.230 nan 0.000 0.596 403 G N 0.371 109.130 108.800 -0.069 0.000 2.176 403 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.253 403 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.253 403 G C -0.123 174.764 174.900 -0.022 0.000 0.979 403 G CA -0.095 44.996 45.100 -0.015 0.000 0.641 403 G HN 0.356 nan 8.290 nan 0.000 0.530 404 L N 0.394 121.585 121.223 -0.052 0.000 2.468 404 L HA 0.796 5.136 4.340 -0.001 0.000 0.254 404 L C 0.890 177.752 176.870 -0.012 0.000 1.171 404 L CA -0.612 54.194 54.840 -0.055 0.000 0.809 404 L CB 1.599 43.608 42.059 -0.083 0.000 1.155 404 L HN 0.765 nan 8.230 nan 0.000 0.473 405 V N -1.306 118.597 119.914 -0.019 0.000 2.971 405 V HA 0.721 4.840 4.120 -0.001 0.000 0.309 405 V C -2.797 173.276 176.094 -0.035 0.000 1.130 405 V CA -1.858 60.448 62.300 0.011 0.000 0.964 405 V CB 2.000 33.834 31.823 0.018 0.000 1.029 405 V HN 0.674 nan 8.190 nan 0.000 0.427 406 P HA 0.308 nan 4.420 nan 0.000 0.286 406 P C 0.398 177.627 177.300 -0.119 0.000 1.269 406 P CA -0.021 62.992 63.100 -0.146 0.000 0.787 406 P CB 1.863 33.378 31.700 -0.308 0.000 0.920 407 V N 1.447 121.297 119.914 -0.108 0.000 3.570 407 V HA 0.400 4.519 4.120 -0.001 0.000 0.257 407 V C 0.514 176.514 176.094 -0.156 0.000 1.272 407 V CA 0.384 62.632 62.300 -0.086 0.000 1.079 407 V CB -0.224 31.566 31.823 -0.054 0.000 0.829 407 V HN 0.281 nan 8.190 nan 0.000 0.454 408 L N 0.530 121.670 121.223 -0.139 0.000 2.506 408 L HA 0.873 5.212 4.340 -0.001 0.000 0.257 408 L C -0.575 176.245 176.870 -0.084 0.000 0.964 408 L CA -0.269 54.493 54.840 -0.130 0.000 0.836 408 L CB 2.154 44.146 42.059 -0.112 0.000 1.384 408 L HN 0.202 nan 8.230 nan 0.000 0.410 409 A N 1.340 124.118 122.820 -0.070 0.000 2.322 409 A HA 0.711 5.030 4.320 -0.001 0.000 0.327 409 A C -0.878 176.678 177.584 -0.046 0.000 1.134 409 A CA -0.548 51.473 52.037 -0.027 0.000 0.831 409 A CB 1.222 20.246 19.000 0.041 0.000 1.288 409 A HN 0.697 nan 8.150 nan 0.000 0.472 410 E N 1.457 121.624 120.200 -0.056 0.000 2.167 410 E HA 0.218 4.567 4.350 -0.001 0.000 0.284 410 E C -0.954 175.286 176.600 -0.601 0.000 1.016 410 E CA -0.507 55.769 56.400 -0.208 0.000 0.817 410 E CB 0.807 30.519 29.700 0.020 0.000 1.080 410 E HN 0.485 nan 8.360 nan 0.000 0.397 411 N N 1.764 120.149 118.700 -0.525 0.000 2.443 411 N HA 0.208 4.947 4.740 -0.001 0.000 0.295 411 N C -0.522 174.677 175.510 -0.518 0.000 1.076 411 N CA -0.227 52.486 53.050 -0.561 0.000 0.919 411 N CB 0.768 39.105 38.487 -0.250 0.000 1.176 411 N HN 0.486 nan 8.380 nan 0.000 0.487 412 Y N -1.353 118.898 120.300 -0.082 0.000 2.641 412 Y HA 0.309 4.858 4.550 -0.002 0.000 0.248 412 Y C -0.287 175.581 175.900 -0.053 0.000 1.170 412 Y CA -0.610 57.438 58.100 -0.086 0.000 1.201 412 Y CB 1.020 39.437 38.460 -0.073 0.000 1.232 412 Y HN 0.198 nan 8.280 nan 0.000 0.537 413 D N 2.814 123.226 120.400 0.020 0.000 2.454 413 D HA 0.105 4.744 4.640 -0.001 0.000 0.225 413 D C -0.449 175.853 176.300 0.005 0.000 1.081 413 D CA -0.436 53.576 54.000 0.020 0.000 0.864 413 D CB 1.002 41.807 40.800 0.008 0.000 1.040 413 D HN 0.324 nan 8.370 nan 0.000 0.517 414 K N 0.680 121.088 120.400 0.014 0.000 2.351 414 K HA 0.266 4.585 4.320 -0.001 0.000 0.287 414 K C 0.109 176.713 176.600 0.007 0.000 1.068 414 K CA -0.324 55.968 56.287 0.009 0.000 0.998 414 K CB 0.139 32.645 32.500 0.010 0.000 0.968 414 K HN 0.260 nan 8.250 nan 0.000 0.464 415 S N 1.630 117.333 115.700 0.005 0.000 2.794 415 S HA 0.264 4.733 4.470 -0.001 0.000 0.299 415 S C -0.083 174.521 174.600 0.006 0.000 1.179 415 S CA -0.832 57.372 58.200 0.006 0.000 0.838 415 S CB 1.273 64.477 63.200 0.008 0.000 1.206 415 S HN 0.464 nan 8.310 nan 0.000 0.523 416 D N 1.435 121.839 120.400 0.006 0.000 2.096 416 D HA -0.041 4.598 4.640 -0.001 0.000 0.200 416 D C 0.345 176.650 176.300 0.009 0.000 0.980 416 D CA 1.432 55.435 54.000 0.005 0.000 0.860 416 D CB -0.720 40.083 40.800 0.005 0.000 1.005 416 D HN 0.693 nan 8.370 nan 0.000 0.449 417 N N 0.501 119.210 118.700 0.015 0.000 3.298 417 N HA 0.076 4.815 4.740 -0.001 0.000 0.292 417 N C 0.624 176.150 175.510 0.027 0.000 1.271 417 N CA -0.485 52.580 53.050 0.024 0.000 1.184 417 N CB 0.455 38.962 38.487 0.032 0.000 1.452 417 N HN 0.127 nan 8.380 nan 0.000 0.534 418 c N 1.523 120.136 118.600 0.020 0.000 2.413 418 c HA -0.135 4.434 4.570 -0.001 0.000 0.276 418 c C 2.068 176.166 174.090 0.014 0.000 1.236 418 c CA 1.155 57.490 56.329 0.010 0.000 1.735 418 c CB -0.528 41.986 42.510 0.007 0.000 2.031 418 c HN 0.622 nan 8.230 nan 0.000 0.474 419 E N -0.267 119.956 120.200 0.038 0.000 2.510 419 E HA -0.164 4.185 4.350 -0.001 0.000 0.202 419 E C 0.777 177.405 176.600 0.047 0.000 1.072 419 E CA 1.191 57.620 56.400 0.049 0.000 0.883 419 E CB -0.091 29.669 29.700 0.100 0.000 0.818 419 E HN 0.703 nan 8.360 nan 0.000 0.548 420 D N -1.077 119.356 120.400 0.056 0.000 2.520 420 D HA -0.007 4.632 4.640 -0.001 0.000 0.223 420 D C -0.487 175.868 176.300 0.091 0.000 1.186 420 D CA 0.139 54.195 54.000 0.094 0.000 0.821 420 D CB 0.975 41.852 40.800 0.130 0.000 1.072 420 D HN -0.094 nan 8.370 nan 0.000 0.518 421 T N 2.089 116.669 114.554 0.044 0.000 3.145 421 T HA 0.340 4.689 4.350 -0.001 0.000 0.362 421 T C -2.794 171.908 174.700 0.004 0.000 1.340 421 T CA -2.045 60.074 62.100 0.033 0.000 1.069 421 T CB 0.652 69.532 68.868 0.019 0.000 1.129 421 T HN -0.114 nan 8.240 nan 0.000 0.585 422 P HA 0.298 nan 4.420 nan 0.000 0.275 422 P C -0.895 176.388 177.300 -0.029 0.000 1.227 422 P CA -0.324 62.768 63.100 -0.013 0.000 0.781 422 P CB 0.878 32.584 31.700 0.011 0.000 0.906 423 E N 0.977 121.137 120.200 -0.066 0.000 2.210 423 E HA 0.545 4.894 4.350 -0.001 0.000 0.266 423 E C -0.150 176.360 176.600 -0.150 0.000 0.883 423 E CA -1.275 55.071 56.400 -0.091 0.000 0.761 423 E CB 1.721 31.360 29.700 -0.101 0.000 1.156 423 E HN 0.321 nan 8.360 nan 0.000 0.412 424 A N 3.192 125.898 122.820 -0.189 0.000 2.310 424 A HA 0.426 4.746 4.320 -0.001 0.000 0.230 424 A C 1.129 178.473 177.584 -0.401 0.000 1.294 424 A CA 0.569 52.419 52.037 -0.312 0.000 0.898 424 A CB -1.059 17.756 19.000 -0.309 0.000 0.917 424 A HN 1.041 nan 8.150 nan 0.000 0.491 425 G N -0.621 108.007 108.800 -0.288 0.000 2.525 425 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.248 425 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.248 425 G C -0.084 174.638 174.900 -0.296 0.000 1.238 425 G CA 0.191 45.135 45.100 -0.260 0.000 0.926 425 G HN 1.629 nan 8.290 nan 0.000 0.574 426 Y N -1.663 118.410 120.300 -0.377 0.000 2.621 426 Y HA 0.824 5.373 4.550 -0.002 0.000 0.334 426 Y C -0.203 175.261 175.900 -0.727 0.000 1.074 426 Y CA -2.076 55.681 58.100 -0.572 0.000 1.149 426 Y CB 0.941 39.173 38.460 -0.379 0.000 1.302 426 Y HN 0.482 nan 8.280 nan 0.000 0.501 427 F N 1.289 120.936 119.950 -0.504 0.000 2.408 427 F HA 0.642 5.168 4.527 -0.001 0.000 0.344 427 F C 0.217 176.037 175.800 0.034 0.000 1.112 427 F CA -0.806 57.041 58.000 -0.256 0.000 1.096 427 F CB 1.672 40.510 39.000 -0.270 0.000 1.129 427 F HN 0.734 nan 8.300 nan 0.000 0.486 428 A N 4.384 127.363 122.820 0.266 0.000 2.582 428 A HA 0.626 4.945 4.320 -0.001 0.000 0.336 428 A C -0.438 177.335 177.584 0.314 0.000 1.445 428 A CA -0.557 51.669 52.037 0.315 0.000 0.997 428 A CB -0.456 18.694 19.000 0.249 0.000 1.148 428 A HN 0.646 nan 8.150 nan 0.000 0.514 429 V N -0.636 119.465 119.914 0.311 0.000 2.966 429 V HA 0.918 5.037 4.120 -0.001 0.000 0.317 429 V C 0.324 176.592 176.094 0.291 0.000 1.070 429 V CA -0.578 61.888 62.300 0.276 0.000 1.008 429 V CB 1.539 33.509 31.823 0.244 0.000 1.070 429 V HN 1.156 nan 8.190 nan 0.000 0.457 430 A N 2.371 125.352 122.820 0.268 0.000 2.277 430 A HA 0.688 5.007 4.320 -0.001 0.000 0.318 430 A C -0.410 177.234 177.584 0.100 0.000 1.339 430 A CA -0.513 51.658 52.037 0.223 0.000 0.875 430 A CB 0.816 20.052 19.000 0.393 0.000 1.158 430 A HN 1.436 nan 8.150 nan 0.000 0.514 431 V N 3.900 123.842 119.914 0.046 0.000 2.583 431 V HA 0.590 4.709 4.120 -0.001 0.000 0.287 431 V C -0.138 175.966 176.094 0.017 0.000 1.051 431 V CA 0.124 62.463 62.300 0.065 0.000 1.010 431 V CB 1.391 33.264 31.823 0.083 0.000 0.988 431 V HN 0.941 nan 8.190 nan 0.000 0.478 432 V N 6.384 126.347 119.914 0.082 0.000 3.040 432 V HA 0.566 4.685 4.120 -0.001 0.000 0.312 432 V C -0.253 175.944 176.094 0.172 0.000 1.115 432 V CA -1.124 61.216 62.300 0.067 0.000 0.998 432 V CB 2.253 34.115 31.823 0.064 0.000 1.042 432 V HN 1.012 nan 8.190 nan 0.000 0.433 433 K N 2.888 123.382 120.400 0.157 0.000 2.298 433 K HA 0.231 4.550 4.320 -0.001 0.000 0.280 433 K C 1.068 177.748 176.600 0.133 0.000 1.032 433 K CA 0.067 56.502 56.287 0.247 0.000 0.958 433 K CB 0.847 33.441 32.500 0.157 0.000 0.978 433 K HN 0.732 nan 8.250 nan 0.000 0.472 434 K N 1.938 122.390 120.400 0.085 0.000 2.281 434 K HA -0.154 4.165 4.320 -0.001 0.000 0.203 434 K C 1.024 177.634 176.600 0.017 0.000 1.046 434 K CA 1.472 57.775 56.287 0.028 0.000 0.938 434 K CB 0.140 32.620 32.500 -0.033 0.000 0.737 434 K HN 0.621 nan 8.250 nan 0.000 0.458 435 S N 1.189 116.898 115.700 0.015 0.000 2.502 435 S HA -0.151 4.318 4.470 -0.001 0.000 0.219 435 S C 1.006 175.616 174.600 0.017 0.000 1.064 435 S CA 1.106 59.312 58.200 0.009 0.000 1.173 435 S CB -0.558 62.648 63.200 0.010 0.000 1.118 435 S HN 0.500 nan 8.310 nan 0.000 0.406 436 A N 2.302 125.135 122.820 0.021 0.000 2.569 436 A HA 0.226 4.545 4.320 -0.001 0.000 0.288 436 A C 1.488 179.090 177.584 0.031 0.000 1.326 436 A CA 0.402 52.452 52.037 0.022 0.000 0.978 436 A CB -0.501 18.510 19.000 0.018 0.000 1.054 436 A HN 0.564 nan 8.150 nan 0.000 0.558 437 S N 1.569 117.285 115.700 0.027 0.000 2.414 437 S HA -0.135 4.334 4.470 -0.001 0.000 0.227 437 S C 1.271 175.894 174.600 0.038 0.000 1.022 437 S CA 0.908 59.127 58.200 0.033 0.000 0.958 437 S CB -0.216 62.998 63.200 0.025 0.000 0.797 437 S HN 0.808 nan 8.310 nan 0.000 0.493 438 D N 0.907 121.326 120.400 0.031 0.000 2.363 438 D HA -0.008 4.632 4.640 -0.001 0.000 0.226 438 D C 0.574 176.898 176.300 0.040 0.000 1.020 438 D CA -0.093 53.927 54.000 0.033 0.000 0.892 438 D CB -0.258 40.556 40.800 0.022 0.000 0.900 438 D HN 0.436 nan 8.370 nan 0.000 0.531 439 L N 2.365 123.615 121.223 0.044 0.000 2.358 439 L HA 0.266 4.605 4.340 -0.001 0.000 0.274 439 L C -0.039 176.881 176.870 0.083 0.000 1.136 439 L CA -0.027 54.844 54.840 0.051 0.000 0.970 439 L CB 0.284 42.366 42.059 0.038 0.000 1.314 439 L HN 0.022 nan 8.230 nan 0.000 0.427 440 T N -0.267 114.349 114.554 0.102 0.000 2.938 440 T HA 0.152 4.501 4.350 -0.001 0.000 0.285 440 T C 0.861 175.694 174.700 0.222 0.000 1.028 440 T CA -0.563 61.634 62.100 0.162 0.000 1.005 440 T CB 0.603 69.563 68.868 0.153 0.000 1.157 440 T HN 0.606 nan 8.240 nan 0.000 0.550 441 W N 1.226 122.594 121.300 0.113 0.000 2.342 441 W HA -0.172 4.487 4.660 -0.002 0.000 0.297 441 W C 0.521 177.132 176.519 0.155 0.000 1.213 441 W CA 2.217 59.654 57.345 0.154 0.000 1.251 441 W CB -0.618 28.921 29.460 0.131 0.000 1.136 441 W HN 0.843 nan 8.180 nan 0.000 0.526 442 D N -0.075 120.447 120.400 0.202 0.000 2.310 442 D HA -0.157 4.482 4.640 -0.001 0.000 0.212 442 D C 0.252 176.562 176.300 0.016 0.000 0.965 442 D CA 0.970 55.025 54.000 0.091 0.000 0.879 442 D CB -0.425 40.459 40.800 0.140 0.000 0.921 442 D HN 0.090 nan 8.370 nan 0.000 0.510 443 N N -0.218 118.499 118.700 0.028 0.000 2.660 443 N HA 0.264 5.003 4.740 -0.001 0.000 0.316 443 N C 0.383 175.889 175.510 -0.007 0.000 1.774 443 N CA -0.038 53.012 53.050 0.001 0.000 0.946 443 N CB 0.611 39.109 38.487 0.019 0.000 1.322 443 N HN 0.058 nan 8.380 nan 0.000 0.492 444 L N -0.631 120.584 121.223 -0.014 0.000 2.354 444 L HA 0.157 4.496 4.340 -0.001 0.000 0.212 444 L C 0.900 177.597 176.870 -0.290 0.000 1.091 444 L CA 0.093 54.979 54.840 0.077 0.000 0.828 444 L CB -0.028 42.223 42.059 0.320 0.000 0.973 444 L HN 0.135 nan 8.230 nan 0.000 0.461 445 K N 2.141 122.170 120.400 -0.619 0.000 2.320 445 K HA 0.026 4.345 4.320 -0.001 0.000 0.269 445 K C 0.555 176.803 176.600 -0.586 0.000 1.182 445 K CA 0.991 56.616 56.287 -1.103 0.000 1.190 445 K CB -0.857 31.343 32.500 -0.499 0.000 0.850 445 K HN 0.314 nan 8.250 nan 0.000 0.467 446 G N 3.310 111.763 108.800 -0.578 0.000 2.325 446 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.248 446 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.248 446 G C -0.496 174.382 174.900 -0.037 0.000 1.108 446 G CA -0.026 44.953 45.100 -0.201 0.000 0.881 446 G HN 0.554 nan 8.290 nan 0.000 0.494 447 K N -1.137 119.338 120.400 0.125 0.000 2.208 447 K HA 0.701 5.020 4.320 -0.001 0.000 0.241 447 K C -0.221 176.420 176.600 0.067 0.000 1.087 447 K CA -0.943 55.406 56.287 0.103 0.000 0.883 447 K CB 0.795 33.356 32.500 0.101 0.000 1.360 447 K HN 0.064 nan 8.250 nan 0.000 0.496 448 K N 1.022 121.377 120.400 -0.075 0.000 2.240 448 K HA 0.321 4.640 4.320 -0.001 0.000 0.271 448 K C -0.544 175.829 176.600 -0.378 0.000 1.018 448 K CA -0.307 55.884 56.287 -0.160 0.000 0.874 448 K CB 1.222 33.658 32.500 -0.107 0.000 1.098 448 K HN 0.631 nan 8.250 nan 0.000 0.458 449 S N 0.649 116.003 115.700 -0.577 0.000 2.532 449 S HA 0.631 5.100 4.470 -0.001 0.000 0.301 449 S C -0.488 173.786 174.600 -0.543 0.000 1.083 449 S CA -0.878 56.848 58.200 -0.790 0.000 1.025 449 S CB 0.988 63.296 63.200 -1.487 0.000 1.056 449 S HN 0.513 nan 8.310 nan 0.000 0.494 450 c N 3.738 121.996 118.600 -0.571 0.000 2.316 450 c HA 0.596 5.165 4.570 -0.001 0.000 0.324 450 c C -0.197 173.721 174.090 -0.288 0.000 1.226 450 c CA -0.663 55.451 56.329 -0.358 0.000 1.450 450 c CB -0.723 41.592 42.510 -0.325 0.000 2.123 450 c HN 0.881 nan 8.230 nan 0.000 0.454 451 H N 1.275 120.459 119.070 0.189 0.000 2.533 451 H HA 0.284 4.839 4.556 -0.001 0.000 0.343 451 H C 1.117 176.544 175.328 0.165 0.000 1.160 451 H CA -0.033 56.196 56.048 0.300 0.000 1.218 451 H CB 1.612 31.667 29.762 0.489 0.000 1.566 451 H HN 0.684 nan 8.280 nan 0.000 0.522 452 T N -0.124 114.558 114.554 0.212 0.000 2.708 452 T HA 0.180 4.529 4.350 -0.001 0.000 0.266 452 T C 0.882 175.598 174.700 0.027 0.000 1.037 452 T CA 0.824 62.908 62.100 -0.026 0.000 1.146 452 T CB 0.173 68.858 68.868 -0.306 0.000 0.865 452 T HN 0.727 nan 8.240 nan 0.000 0.435 453 A N -0.402 122.484 122.820 0.109 0.000 2.515 453 A HA 0.596 4.915 4.320 -0.001 0.000 0.292 453 A C -1.147 176.397 177.584 -0.066 0.000 1.065 453 A CA -0.829 51.256 52.037 0.080 0.000 0.641 453 A CB 0.804 19.882 19.000 0.129 0.000 1.306 453 A HN 0.261 nan 8.150 nan 0.000 0.441 454 V N 0.894 120.609 119.914 -0.331 0.000 2.649 454 V HA 0.527 4.647 4.120 -0.001 0.000 0.292 454 V C 1.626 177.400 176.094 -0.534 0.000 1.055 454 V CA 1.520 63.283 62.300 -0.896 0.000 1.023 454 V CB 0.615 31.906 31.823 -0.886 0.000 0.992 454 V HN 2.560 nan 8.190 nan 0.000 0.480 455 G N 3.630 112.053 108.800 -0.627 0.000 2.304 455 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.252 455 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.252 455 G C 0.541 175.463 174.900 0.037 0.000 1.014 455 G CA -0.073 44.938 45.100 -0.148 0.000 0.619 455 G HN 0.538 nan 8.290 nan 0.000 0.525 456 R N 1.035 121.569 120.500 0.057 0.000 2.623 456 R HA 0.303 4.642 4.340 -0.001 0.000 0.271 456 R C 1.729 178.135 176.300 0.177 0.000 1.043 456 R CA 0.816 56.983 56.100 0.112 0.000 1.083 456 R CB 0.239 30.580 30.300 0.067 0.000 0.974 456 R HN 0.327 nan 8.270 nan 0.000 0.436 457 T N 2.096 116.753 114.554 0.172 0.000 2.708 457 T HA -0.182 4.167 4.350 -0.001 0.000 0.266 457 T C 1.782 176.596 174.700 0.191 0.000 1.037 457 T CA 1.813 64.014 62.100 0.170 0.000 1.146 457 T CB 0.016 69.010 68.868 0.210 0.000 0.865 457 T HN 0.715 nan 8.240 nan 0.000 0.435 458 A N 1.357 124.351 122.820 0.290 0.000 1.841 458 A HA 0.244 4.563 4.320 -0.001 0.000 0.214 458 A C 2.295 180.048 177.584 0.281 0.000 1.195 458 A CA 1.457 53.712 52.037 0.364 0.000 0.611 458 A CB -1.091 18.282 19.000 0.622 0.000 0.835 458 A HN 0.506 nan 8.150 nan 0.000 0.443 459 G N -3.339 105.611 108.800 0.250 0.000 3.496 459 G HA2 0.325 4.284 3.960 -0.001 0.000 0.273 459 G HA3 0.325 4.284 3.960 -0.001 0.000 0.273 459 G C 0.418 175.558 174.900 0.401 0.000 1.279 459 G CA 0.281 45.587 45.100 0.342 0.000 1.041 459 G HN 0.600 nan 8.290 nan 0.000 0.539 460 W N -0.883 120.397 121.300 -0.034 0.000 5.025 460 W HA -0.062 4.597 4.660 -0.001 0.000 0.160 460 W C 0.719 177.089 176.519 -0.248 0.000 3.401 460 W CA 0.109 57.351 57.345 -0.171 0.000 1.671 460 W CB -0.519 28.852 29.460 -0.149 0.000 1.547 460 W HN 0.112 nan 8.180 nan 0.000 0.854 461 N N 1.937 120.641 118.700 0.006 0.000 2.037 461 N HA -0.199 4.541 4.740 -0.001 0.000 0.196 461 N C 1.635 176.982 175.510 -0.273 0.000 1.034 461 N CA 2.692 55.657 53.050 -0.142 0.000 0.861 461 N CB -0.855 37.591 38.487 -0.068 0.000 1.039 461 N HN 0.273 nan 8.380 nan 0.000 0.427 462 I N 1.476 121.927 120.570 -0.199 0.000 2.133 462 I HA -0.093 4.076 4.170 -0.001 0.000 0.238 462 I C -1.339 174.644 176.117 -0.223 0.000 1.074 462 I CA 0.507 61.689 61.300 -0.197 0.000 1.342 462 I CB -1.366 36.587 38.000 -0.078 0.000 1.053 462 I HN 0.135 nan 8.210 nan 0.000 0.404 466 L N 1.246 122.414 121.223 -0.091 0.000 2.201 466 L HA 0.280 4.619 4.340 -0.001 0.000 0.212 466 L C 2.425 179.363 176.870 0.113 0.000 1.105 466 L CA 1.232 56.099 54.840 0.044 0.000 0.775 466 L CB -0.844 41.268 42.059 0.088 0.000 0.913 466 L HN 0.234 nan 8.230 nan 0.000 0.440 467 L N -2.029 119.169 121.223 -0.042 0.000 2.627 467 L HA -0.153 4.186 4.340 -0.001 0.000 0.233 467 L C 2.118 178.860 176.870 -0.214 0.000 1.144 467 L CA -0.038 54.637 54.840 -0.276 0.000 0.892 467 L CB -0.451 41.189 42.059 -0.699 0.000 1.039 467 L HN 0.159 nan 8.230 nan 0.000 0.442 468 Y N 1.199 121.416 120.300 -0.137 0.000 2.092 468 Y HA -0.232 4.317 4.550 -0.001 0.000 0.282 468 Y C 2.329 178.183 175.900 -0.077 0.000 1.126 468 Y CA 1.617 59.686 58.100 -0.052 0.000 1.111 468 Y CB -0.077 38.374 38.460 -0.016 0.000 0.987 468 Y HN 0.225 nan 8.280 nan 0.000 0.489 469 N N 0.541 119.282 118.700 0.068 0.000 2.659 469 N HA -0.161 4.578 4.740 -0.001 0.000 0.194 469 N C 0.654 176.102 175.510 -0.103 0.000 1.140 469 N CA 1.099 54.144 53.050 -0.008 0.000 0.936 469 N CB -0.136 38.389 38.487 0.064 0.000 0.970 469 N HN 0.167 nan 8.380 nan 0.000 0.449 470 K N 0.497 120.797 120.400 -0.166 0.000 2.618 470 K HA 0.271 4.590 4.320 -0.001 0.000 0.207 470 K C 0.970 177.438 176.600 -0.220 0.000 1.058 470 K CA -0.131 56.058 56.287 -0.163 0.000 1.086 470 K CB 0.118 32.521 32.500 -0.161 0.000 0.827 470 K HN 0.247 nan 8.250 nan 0.000 0.481 471 I N -6.951 113.394 120.570 -0.373 0.000 5.393 471 I HA 0.156 4.325 4.170 -0.001 0.000 0.340 471 I C 0.253 175.837 176.117 -0.889 0.000 1.117 471 I CA -0.261 60.672 61.300 -0.612 0.000 1.603 471 I CB 0.160 37.964 38.000 -0.328 0.000 1.948 471 I HN -0.059 nan 8.210 nan 0.000 0.653 472 N N 1.557 119.752 118.700 -0.842 0.000 2.908 472 N HA -0.251 4.488 4.740 -0.001 0.000 0.227 472 N C 0.383 175.529 175.510 -0.606 0.000 0.834 472 N CA 2.280 54.807 53.050 -0.872 0.000 1.118 472 N CB -1.347 36.883 38.487 -0.428 0.000 1.008 472 N HN 0.909 nan 8.380 nan 0.000 0.623 473 H N -2.591 116.233 119.070 -0.411 0.000 2.500 473 H HA 0.541 5.096 4.556 -0.001 0.000 0.351 473 H C 0.106 175.218 175.328 -0.359 0.000 1.281 473 H CA -0.432 55.453 56.048 -0.271 0.000 1.368 473 H CB 0.836 30.479 29.762 -0.198 0.000 1.616 473 H HN 0.093 nan 8.280 nan 0.000 0.591 474 c N 1.295 119.795 118.600 -0.166 0.000 2.780 474 c HA 0.155 4.724 4.570 -0.001 0.000 0.287 474 c C 0.469 174.181 174.090 -0.629 0.000 1.288 474 c CA -0.587 55.478 56.329 -0.439 0.000 1.713 474 c CB -1.291 41.118 42.510 -0.169 0.000 1.955 474 c HN 0.540 nan 8.230 nan 0.000 0.613 475 R N 0.793 120.921 120.500 -0.619 0.000 2.522 475 R HA 0.252 4.592 4.340 -0.001 0.000 0.290 475 R C -0.314 175.749 176.300 -0.396 0.000 1.216 475 R CA -0.697 55.134 56.100 -0.449 0.000 1.250 475 R CB -0.705 29.363 30.300 -0.386 0.000 1.143 475 R HN 0.198 nan 8.270 nan 0.000 0.553 476 F N 1.388 121.338 119.950 0.000 0.000 2.771 476 F HA -0.039 4.487 4.527 -0.002 0.000 0.299 476 F C 0.916 176.791 175.800 0.124 0.000 1.177 476 F CA 0.350 58.373 58.000 0.037 0.000 1.450 476 F CB -0.127 38.918 39.000 0.074 0.000 1.114 476 F HN 0.399 nan 8.300 nan 0.000 0.587 477 D N -1.205 119.331 120.400 0.226 0.000 2.427 477 D HA 0.016 4.655 4.640 -0.001 0.000 0.224 477 D C 0.947 177.328 176.300 0.135 0.000 1.157 477 D CA 0.192 54.327 54.000 0.225 0.000 0.828 477 D CB -0.476 40.430 40.800 0.176 0.000 0.974 477 D HN 0.322 nan 8.370 nan 0.000 0.498 478 E N -1.135 119.115 120.200 0.084 0.000 2.508 478 E HA 0.116 4.465 4.350 -0.001 0.000 0.217 478 E C 0.680 177.330 176.600 0.084 0.000 0.896 478 E CA -0.256 56.161 56.400 0.029 0.000 1.118 478 E CB 0.206 29.834 29.700 -0.120 0.000 1.133 478 E HN 0.208 nan 8.360 nan 0.000 0.526 479 F N 0.559 120.472 119.950 -0.061 0.000 2.234 479 F HA 0.100 4.626 4.527 -0.001 0.000 0.296 479 F C 0.214 175.854 175.800 -0.266 0.000 1.089 479 F CA 0.695 58.571 58.000 -0.207 0.000 1.343 479 F CB 0.434 39.203 39.000 -0.386 0.000 1.040 479 F HN -0.223 nan 8.300 nan 0.000 0.498 480 F N 0.666 120.699 119.950 0.139 0.000 2.421 480 F HA 0.236 4.762 4.527 -0.002 0.000 0.337 480 F C 1.656 177.474 175.800 0.029 0.000 1.105 480 F CA -0.871 57.150 58.000 0.035 0.000 1.049 480 F CB 1.193 40.315 39.000 0.204 0.000 1.139 480 F HN -0.082 nan 8.300 nan 0.000 0.479 481 S N 1.079 116.887 115.700 0.179 0.000 2.402 481 S HA -0.137 4.332 4.470 -0.001 0.000 0.233 481 S C 0.219 174.896 174.600 0.129 0.000 1.030 481 S CA 1.463 59.724 58.200 0.102 0.000 1.003 481 S CB -0.651 62.582 63.200 0.056 0.000 0.813 481 S HN 0.848 nan 8.310 nan 0.000 0.477 482 E N -2.405 117.899 120.200 0.173 0.000 2.310 482 E HA 0.539 4.888 4.350 -0.001 0.000 0.264 482 E C -0.322 176.357 176.600 0.132 0.000 1.309 482 E CA -0.950 55.543 56.400 0.156 0.000 0.900 482 E CB 0.328 30.085 29.700 0.096 0.000 1.496 482 E HN 0.704 nan 8.360 nan 0.000 0.433 483 G N -0.907 107.962 108.800 0.115 0.000 2.356 483 G HA2 0.342 4.301 3.960 -0.001 0.000 0.288 483 G HA3 0.342 4.301 3.960 -0.001 0.000 0.288 483 G C -1.659 173.325 174.900 0.140 0.000 1.302 483 G CA -0.290 44.845 45.100 0.058 0.000 0.887 483 G HN 0.942 nan 8.290 nan 0.000 0.521 484 c N 0.635 119.315 118.600 0.133 0.000 2.319 484 c HA 0.880 5.449 4.570 -0.001 0.000 0.323 484 c C 0.649 174.954 174.090 0.358 0.000 1.277 484 c CA 0.634 57.092 56.329 0.215 0.000 1.517 484 c CB -0.113 42.526 42.510 0.216 0.000 2.206 484 c HN 1.963 nan 8.230 nan 0.000 0.486 485 A N 7.498 130.532 122.820 0.357 0.000 3.370 485 A HA 0.571 4.890 4.320 -0.001 0.000 0.295 485 A C -2.685 174.959 177.584 0.100 0.000 1.030 485 A CA -0.955 51.294 52.037 0.353 0.000 0.883 485 A CB -0.038 19.196 19.000 0.389 0.000 1.191 485 A HN 0.710 nan 8.150 nan 0.000 0.507 486 P HA 0.100 nan 4.420 nan 0.000 0.262 486 P C 1.245 178.527 177.300 -0.030 0.000 1.151 486 P CA 2.709 65.855 63.100 0.077 0.000 0.757 486 P CB 0.452 32.268 31.700 0.193 0.000 0.754 487 G N 1.157 109.920 108.800 -0.062 0.000 2.195 487 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.224 487 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.224 487 G C 0.405 175.227 174.900 -0.129 0.000 0.990 487 G CA -0.054 44.979 45.100 -0.112 0.000 0.639 487 G HN 0.594 nan 8.290 nan 0.000 0.514 488 S N 1.664 117.300 115.700 -0.106 0.000 2.652 488 S HA 0.533 5.002 4.470 -0.001 0.000 0.270 488 S C 0.518 175.104 174.600 -0.025 0.000 1.243 488 S CA -0.469 57.687 58.200 -0.072 0.000 0.999 488 S CB 0.999 64.185 63.200 -0.024 0.000 0.973 488 S HN 0.580 nan 8.310 nan 0.000 0.544 489 K N 2.524 122.921 120.400 -0.006 0.000 2.436 489 K HA 0.083 4.402 4.320 -0.001 0.000 0.282 489 K C 0.511 177.120 176.600 0.015 0.000 1.044 489 K CA -0.182 56.107 56.287 0.004 0.000 1.028 489 K CB 0.153 32.660 32.500 0.012 0.000 0.919 489 K HN 0.404 nan 8.250 nan 0.000 0.474 490 K N 2.186 122.590 120.400 0.007 0.000 2.163 490 K HA -0.231 4.088 4.320 -0.001 0.000 0.210 490 K C 0.412 177.025 176.600 0.022 0.000 1.048 490 K CA 2.371 58.665 56.287 0.012 0.000 0.928 490 K CB -0.510 31.991 32.500 0.002 0.000 0.716 490 K HN 0.886 nan 8.250 nan 0.000 0.459 491 D N -0.102 120.311 120.400 0.022 0.000 2.870 491 D HA 0.088 4.727 4.640 -0.001 0.000 0.241 491 D C -0.118 176.205 176.300 0.038 0.000 1.234 491 D CA -0.338 53.677 54.000 0.026 0.000 0.844 491 D CB 0.351 41.162 40.800 0.019 0.000 1.051 491 D HN -0.119 nan 8.370 nan 0.000 0.469 492 S N -0.869 114.861 115.700 0.051 0.000 2.634 492 S HA 0.416 4.885 4.470 -0.001 0.000 0.296 492 S C 1.213 175.868 174.600 0.092 0.000 1.104 492 S CA -0.282 57.962 58.200 0.073 0.000 0.920 492 S CB 1.376 64.628 63.200 0.087 0.000 1.111 492 S HN 0.204 nan 8.310 nan 0.000 0.493 493 S N 2.293 118.061 115.700 0.113 0.000 2.419 493 S HA -0.022 4.447 4.470 -0.001 0.000 0.233 493 S C 1.448 176.149 174.600 0.169 0.000 1.016 493 S CA 0.866 59.144 58.200 0.131 0.000 0.974 493 S CB -0.749 62.539 63.200 0.147 0.000 0.786 493 S HN 0.672 nan 8.310 nan 0.000 0.492 494 L N 0.198 121.545 121.223 0.206 0.000 2.675 494 L HA 0.198 4.537 4.340 -0.001 0.000 0.239 494 L C 0.990 177.972 176.870 0.187 0.000 1.151 494 L CA -0.159 54.835 54.840 0.256 0.000 0.905 494 L CB -0.432 41.823 42.059 0.326 0.000 1.057 494 L HN 0.453 nan 8.230 nan 0.000 0.435 495 c N -1.309 117.371 118.600 0.133 0.000 3.642 495 c HA 0.097 4.666 4.570 -0.001 0.000 0.305 495 c C 2.272 176.412 174.090 0.083 0.000 1.492 495 c CA -0.441 55.947 56.329 0.098 0.000 1.809 495 c CB 0.077 42.626 42.510 0.065 0.000 2.639 495 c HN 0.404 nan 8.230 nan 0.000 0.672 496 K N 0.863 121.316 120.400 0.089 0.000 2.186 496 K HA 0.149 4.468 4.320 -0.001 0.000 0.202 496 K C 1.508 178.153 176.600 0.076 0.000 1.052 496 K CA 0.965 57.294 56.287 0.070 0.000 0.965 496 K CB 0.044 32.582 32.500 0.063 0.000 0.746 496 K HN 0.463 nan 8.250 nan 0.000 0.457 497 L N 0.760 122.043 121.223 0.100 0.000 2.418 497 L HA -0.002 4.337 4.340 -0.001 0.000 0.218 497 L C 1.356 178.366 176.870 0.233 0.000 1.125 497 L CA -0.221 54.695 54.840 0.127 0.000 0.835 497 L CB -0.265 41.841 42.059 0.078 0.000 0.953 497 L HN 0.162 nan 8.230 nan 0.000 0.454 501 S N -1.713 113.935 115.700 -0.087 0.000 4.261 501 S HA 0.592 5.061 4.470 -0.001 0.000 0.232 501 S C 1.265 175.835 174.600 -0.049 0.000 1.122 501 S CA 0.668 58.831 58.200 -0.061 0.000 1.487 501 S CB 0.358 63.529 63.200 -0.049 0.000 1.550 501 S HN 1.083 nan 8.310 nan 0.000 0.699 502 G N 0.897 109.674 108.800 -0.038 0.000 2.655 502 G HA2 0.163 4.122 3.960 -0.001 0.000 0.217 502 G HA3 0.163 4.122 3.960 -0.001 0.000 0.217 502 G C 0.853 175.735 174.900 -0.031 0.000 1.279 502 G CA 0.181 45.263 45.100 -0.030 0.000 0.870 502 G HN 0.381 nan 8.290 nan 0.000 0.560 503 L N 1.035 122.239 121.223 -0.031 0.000 2.554 503 L HA 0.147 4.487 4.340 -0.001 0.000 0.226 503 L C 1.879 178.724 176.870 -0.041 0.000 1.137 503 L CA 0.098 54.919 54.840 -0.031 0.000 0.863 503 L CB -0.056 41.986 42.059 -0.028 0.000 0.985 503 L HN 0.152 nan 8.230 nan 0.000 0.451 504 N N 0.364 119.036 118.700 -0.048 0.000 2.412 504 N HA 0.029 4.768 4.740 -0.001 0.000 0.184 504 N C 0.606 176.077 175.510 -0.065 0.000 1.101 504 N CA 0.049 53.062 53.050 -0.061 0.000 0.881 504 N CB 0.256 38.705 38.487 -0.063 0.000 0.969 504 N HN 0.159 nan 8.380 nan 0.000 0.459 505 L N 0.774 121.964 121.223 -0.055 0.000 2.514 505 L HA -0.015 4.324 4.340 -0.001 0.000 0.280 505 L C 1.110 177.960 176.870 -0.033 0.000 1.223 505 L CA 0.213 55.023 54.840 -0.050 0.000 0.864 505 L CB 0.263 42.300 42.059 -0.036 0.000 1.118 505 L HN 0.318 nan 8.230 nan 0.000 0.494 506 c N 2.340 120.931 118.600 -0.015 0.000 4.205 506 c HA -0.174 4.396 4.570 -0.001 0.000 0.289 506 c C 0.688 174.767 174.090 -0.017 0.000 1.477 506 c CA 0.524 56.859 56.329 0.010 0.000 2.008 506 c CB -2.386 40.134 42.510 0.018 0.000 1.303 506 c HN 0.876 nan 8.230 nan 0.000 0.796 507 E N 0.976 121.147 120.200 -0.049 0.000 2.283 507 E HA 0.281 4.630 4.350 -0.001 0.000 0.278 507 E C -1.654 174.851 176.600 -0.159 0.000 1.027 507 E CA -1.714 54.629 56.400 -0.096 0.000 0.843 507 E CB 0.830 30.463 29.700 -0.112 0.000 1.062 507 E HN 0.366 nan 8.360 nan 0.000 0.401 508 P HA 0.048 nan 4.420 nan 0.000 0.225 508 P C -0.916 175.810 177.300 -0.955 0.000 1.768 508 P CA 0.130 63.022 63.100 -0.347 0.000 0.943 508 P CB -0.503 31.122 31.700 -0.125 0.000 1.936 509 N N -0.210 117.779 118.700 -1.184 0.000 3.020 509 N HA 0.134 4.873 4.740 -0.001 0.000 0.248 509 N C 0.953 176.076 175.510 -0.645 0.000 1.480 509 N CA -1.009 51.392 53.050 -1.083 0.000 0.874 509 N CB 0.125 38.355 38.487 -0.428 0.000 1.433 509 N HN -0.282 nan 8.380 nan 0.000 0.530 510 N N 0.352 118.938 118.700 -0.190 0.000 2.348 510 N HA -0.206 4.533 4.740 -0.001 0.000 0.185 510 N C 0.661 176.179 175.510 0.013 0.000 1.019 510 N CA 0.939 54.033 53.050 0.073 0.000 0.880 510 N CB -0.180 38.360 38.487 0.088 0.000 0.965 510 N HN 0.448 nan 8.380 nan 0.000 0.437 511 K N 0.933 121.295 120.400 -0.064 0.000 2.063 511 K HA -0.103 4.217 4.320 -0.001 0.000 0.208 511 K C 0.727 177.293 176.600 -0.056 0.000 1.048 511 K CA 0.733 56.986 56.287 -0.056 0.000 0.928 511 K CB -0.531 31.924 32.500 -0.075 0.000 0.713 511 K HN 0.416 nan 8.250 nan 0.000 0.442 512 E N 0.110 120.271 120.200 -0.066 0.000 2.360 512 E HA 0.082 4.432 4.350 -0.001 0.000 0.269 512 E C 0.987 177.570 176.600 -0.028 0.000 1.022 512 E CA 0.337 56.703 56.400 -0.058 0.000 0.887 512 E CB 1.098 30.781 29.700 -0.028 0.000 0.990 512 E HN 0.174 nan 8.360 nan 0.000 0.426 513 G N 3.346 112.050 108.800 -0.160 0.000 2.511 513 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.217 513 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.217 513 G C 0.073 174.934 174.900 -0.066 0.000 1.133 513 G CA 0.228 45.207 45.100 -0.203 0.000 0.792 513 G HN 0.533 nan 8.290 nan 0.000 0.539 514 Y N -0.356 119.926 120.300 -0.031 0.000 2.833 514 Y HA 0.409 4.958 4.550 -0.001 0.000 0.339 514 Y C -0.541 175.393 175.900 0.058 0.000 1.032 514 Y CA -2.303 55.773 58.100 -0.040 0.000 1.450 514 Y CB -0.838 37.591 38.460 -0.052 0.000 1.296 514 Y HN 0.185 nan 8.280 nan 0.000 0.535 515 Y N 0.353 120.704 120.300 0.086 0.000 2.360 515 Y HA 0.696 5.245 4.550 -0.001 0.000 0.337 515 Y C 0.486 176.408 175.900 0.037 0.000 1.039 515 Y CA -0.222 57.905 58.100 0.045 0.000 1.109 515 Y CB 1.160 39.629 38.460 0.015 0.000 1.201 515 Y HN 0.411 nan 8.280 nan 0.000 0.458 516 G N 3.668 111.988 108.800 -0.800 0.000 2.712 516 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.683 516 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.683 516 G C -0.390 174.330 174.900 -0.300 0.000 1.320 516 G CA -0.148 44.551 45.100 -0.667 0.000 0.847 516 G HN 0.707 nan 8.290 nan 0.000 0.553 517 Y N 0.589 120.815 120.300 -0.123 0.000 2.053 517 Y HA -0.159 4.390 4.550 -0.002 0.000 0.277 517 Y C 3.478 179.389 175.900 0.019 0.000 1.159 517 Y CA 3.519 61.593 58.100 -0.044 0.000 1.125 517 Y CB -0.880 37.535 38.460 -0.075 0.000 0.969 517 Y HN 0.999 nan 8.280 nan 0.000 0.492 518 T N -2.587 112.102 114.554 0.225 0.000 2.867 518 T HA -0.084 4.265 4.350 -0.001 0.000 0.268 518 T C 2.295 177.155 174.700 0.267 0.000 1.057 518 T CA 1.236 63.529 62.100 0.323 0.000 1.136 518 T CB -1.073 68.022 68.868 0.378 0.000 0.874 518 T HN 0.363 nan 8.240 nan 0.000 0.466 519 G N 1.305 110.170 108.800 0.109 0.000 2.421 519 G HA2 0.029 3.988 3.960 -0.001 0.000 0.216 519 G HA3 0.029 3.988 3.960 -0.001 0.000 0.216 519 G C 1.914 176.787 174.900 -0.045 0.000 1.171 519 G CA 0.767 45.880 45.100 0.022 0.000 0.775 519 G HN 0.787 nan 8.290 nan 0.000 0.543 520 A N -0.349 122.465 122.820 -0.011 0.000 2.172 520 A HA 0.194 4.513 4.320 -0.001 0.000 0.216 520 A C 1.998 179.529 177.584 -0.089 0.000 1.154 520 A CA 1.106 53.094 52.037 -0.080 0.000 0.701 520 A CB -0.399 18.601 19.000 0.000 0.000 0.789 520 A HN 0.362 nan 8.150 nan 0.000 0.465 521 F N 0.297 120.147 119.950 -0.166 0.000 2.234 521 F HA 0.064 4.590 4.527 -0.001 0.000 0.296 521 F C 2.165 177.842 175.800 -0.204 0.000 1.089 521 F CA 1.141 59.069 58.000 -0.121 0.000 1.343 521 F CB -0.322 38.730 39.000 0.086 0.000 1.040 521 F HN 0.228 nan 8.300 nan 0.000 0.498 522 R N -0.353 119.853 120.500 -0.490 0.000 2.070 522 R HA -0.231 4.108 4.340 -0.001 0.000 0.233 522 R C 2.668 178.566 176.300 -0.670 0.000 1.137 522 R CA 1.955 57.581 56.100 -0.789 0.000 0.945 522 R CB -1.324 28.248 30.300 -1.213 0.000 0.845 522 R HN 0.509 nan 8.270 nan 0.000 0.430 523 c N 0.821 118.760 118.600 -1.102 0.000 2.398 523 c HA -0.124 4.445 4.570 -0.001 0.000 0.279 523 c C 2.526 176.238 174.090 -0.630 0.000 1.250 523 c CA 0.992 56.501 56.329 -1.366 0.000 1.786 523 c CB -1.207 40.355 42.510 -1.581 0.000 2.018 523 c HN 0.663 nan 8.230 nan 0.000 0.494 524 L N 1.302 122.224 121.223 -0.501 0.000 2.201 524 L HA 0.117 4.456 4.340 -0.001 0.000 0.212 524 L C 1.723 178.401 176.870 -0.319 0.000 1.105 524 L CA 1.944 56.562 54.840 -0.370 0.000 0.775 524 L CB -0.248 41.607 42.059 -0.340 0.000 0.913 524 L HN 0.304 nan 8.230 nan 0.000 0.440 525 V N -0.841 118.857 119.914 -0.360 0.000 3.110 525 V HA 0.235 4.354 4.120 -0.001 0.000 0.368 525 V C 0.954 176.980 176.094 -0.113 0.000 1.332 525 V CA 0.164 62.342 62.300 -0.203 0.000 1.287 525 V CB -0.609 31.090 31.823 -0.206 0.000 1.277 525 V HN 0.456 nan 8.190 nan 0.000 0.502 526 E N -0.494 119.620 120.200 -0.144 0.000 2.926 526 E HA 0.143 4.492 4.350 -0.001 0.000 0.232 526 E C 1.063 177.630 176.600 -0.054 0.000 1.095 526 E CA 0.110 56.471 56.400 -0.066 0.000 1.755 526 E CB 0.572 30.259 29.700 -0.021 0.000 2.411 526 E HN 0.356 nan 8.360 nan 0.000 1.046 527 K N 0.620 120.956 120.400 -0.107 0.000 2.524 527 K HA 0.221 4.540 4.320 -0.001 0.000 0.210 527 K C 0.816 177.352 176.600 -0.106 0.000 1.340 527 K CA 0.642 56.887 56.287 -0.070 0.000 0.880 527 K CB 0.085 32.576 32.500 -0.015 0.000 1.616 527 K HN 0.059 nan 8.250 nan 0.000 0.457 528 G N 0.597 109.290 108.800 -0.178 0.000 2.634 528 G HA2 0.032 3.991 3.960 -0.001 0.000 0.255 528 G HA3 0.032 3.991 3.960 -0.001 0.000 0.255 528 G C -0.327 174.468 174.900 -0.176 0.000 1.205 528 G CA -0.165 44.821 45.100 -0.191 0.000 0.884 528 G HN 0.131 nan 8.290 nan 0.000 0.549 529 D N -1.577 118.717 120.400 -0.177 0.000 2.423 529 D HA 0.080 4.719 4.640 -0.001 0.000 0.212 529 D C 0.393 176.591 176.300 -0.170 0.000 1.060 529 D CA 0.364 54.283 54.000 -0.134 0.000 0.872 529 D CB 1.219 41.967 40.800 -0.087 0.000 1.012 529 D HN 0.136 nan 8.370 nan 0.000 0.503 530 V N 0.295 120.038 119.914 -0.285 0.000 2.709 530 V HA 0.743 4.862 4.120 -0.001 0.000 0.308 530 V C -1.703 174.056 176.094 -0.559 0.000 1.062 530 V CA -0.696 61.369 62.300 -0.392 0.000 0.901 530 V CB 1.872 33.438 31.823 -0.428 0.000 1.003 530 V HN 0.063 nan 8.190 nan 0.000 0.425 531 A N 5.796 128.295 122.820 -0.534 0.000 2.374 531 A HA 0.881 5.200 4.320 -0.001 0.000 0.305 531 A C -1.450 175.874 177.584 -0.433 0.000 1.053 531 A CA -0.397 51.381 52.037 -0.432 0.000 0.726 531 A CB 1.175 20.075 19.000 -0.167 0.000 1.229 531 A HN 0.733 nan 8.150 nan 0.000 0.431 532 F N 2.531 122.494 119.950 0.022 0.000 2.361 532 F HA 0.538 5.065 4.527 -0.001 0.000 0.364 532 F C 0.698 176.598 175.800 0.167 0.000 1.117 532 F CA -0.209 57.866 58.000 0.126 0.000 1.071 532 F CB 1.610 40.712 39.000 0.170 0.000 1.188 532 F HN 0.575 nan 8.300 nan 0.000 0.464 533 V N 0.087 120.218 119.914 0.363 0.000 3.247 533 V HA 0.662 4.781 4.120 -0.001 0.000 0.310 533 V C -0.891 175.433 176.094 0.383 0.000 1.409 533 V CA -1.309 61.228 62.300 0.396 0.000 1.013 533 V CB 1.748 33.734 31.823 0.272 0.000 1.118 533 V HN 0.508 nan 8.190 nan 0.000 0.480 534 K N -0.801 119.749 120.400 0.250 0.000 2.258 534 K HA 0.516 4.835 4.320 -0.001 0.000 0.236 534 K C 1.115 177.779 176.600 0.107 0.000 1.008 534 K CA 0.083 56.461 56.287 0.151 0.000 0.869 534 K CB 1.561 33.950 32.500 -0.184 0.000 1.171 534 K HN 0.953 nan 8.250 nan 0.000 0.447 535 H N -0.401 118.591 119.070 -0.130 0.000 2.394 535 H HA -0.210 4.346 4.556 -0.001 0.000 0.297 535 H C 1.195 176.304 175.328 -0.366 0.000 1.113 535 H CA 1.779 57.591 56.048 -0.393 0.000 1.277 535 H CB -0.040 29.062 29.762 -1.099 0.000 1.370 535 H HN 0.723 nan 8.280 nan 0.000 0.506 536 Q N 0.803 120.324 119.800 -0.465 0.000 2.360 536 Q HA 0.141 4.480 4.340 -0.001 0.000 0.202 536 Q C 1.145 176.954 176.000 -0.319 0.000 0.915 536 Q CA 0.503 56.009 55.803 -0.494 0.000 0.943 536 Q CB 0.462 28.856 28.738 -0.575 0.000 1.064 536 Q HN 0.301 nan 8.270 nan 0.000 0.511 537 T N 1.413 115.802 114.554 -0.274 0.000 2.590 537 T HA -0.173 4.176 4.350 -0.001 0.000 0.257 537 T C 1.963 176.374 174.700 -0.481 0.000 1.080 537 T CA 1.780 63.705 62.100 -0.292 0.000 1.180 537 T CB -0.454 68.308 68.868 -0.176 0.000 0.865 537 T HN 0.340 nan 8.240 nan 0.000 0.403 538 V N 2.985 122.538 119.914 -0.602 0.000 2.287 538 V HA -0.093 4.026 4.120 -0.001 0.000 0.248 538 V C -0.888 174.965 176.094 -0.402 0.000 1.053 538 V CA 1.734 63.502 62.300 -0.886 0.000 1.027 538 V CB -1.569 29.984 31.823 -0.450 0.000 0.646 538 V HN 0.337 nan 8.190 nan 0.000 0.447 539 P HA -0.170 nan 4.420 nan 0.000 0.216 539 P C 1.667 178.896 177.300 -0.120 0.000 1.150 539 P CA 1.737 64.773 63.100 -0.106 0.000 0.837 539 P CB -0.200 31.449 31.700 -0.086 0.000 0.786 540 Q N -1.497 118.198 119.800 -0.174 0.000 2.466 540 Q HA 0.025 4.365 4.340 -0.001 0.000 0.210 540 Q C 0.766 176.697 176.000 -0.115 0.000 0.961 540 Q CA 0.450 56.171 55.803 -0.136 0.000 0.953 540 Q CB -0.238 28.412 28.738 -0.147 0.000 1.011 540 Q HN 0.346 nan 8.270 nan 0.000 0.516 541 N N -0.209 118.418 118.700 -0.121 0.000 2.145 541 N HA 0.012 4.751 4.740 -0.001 0.000 0.219 541 N C -0.030 175.507 175.510 0.044 0.000 1.266 541 N CA 0.362 53.380 53.050 -0.052 0.000 0.902 541 N CB 1.243 39.752 38.487 0.037 0.000 1.078 541 N HN 0.170 nan 8.380 nan 0.000 0.513 542 T N -2.844 111.752 114.554 0.070 0.000 2.943 542 T HA 0.579 4.928 4.350 -0.001 0.000 0.284 542 T C 1.029 175.756 174.700 0.044 0.000 1.015 542 T CA 0.062 62.238 62.100 0.127 0.000 1.042 542 T CB 2.118 71.113 68.868 0.210 0.000 1.055 542 T HN 0.173 nan 8.240 nan 0.000 0.500 543 G N 0.001 108.823 108.800 0.038 0.000 2.149 543 G HA2 0.211 4.170 3.960 -0.001 0.000 0.235 543 G HA3 0.211 4.170 3.960 -0.001 0.000 0.235 543 G C 1.057 175.950 174.900 -0.010 0.000 1.018 543 G CA 0.344 45.449 45.100 0.009 0.000 0.728 543 G HN 2.365 nan 8.290 nan 0.000 0.508 544 G N -0.662 108.126 108.800 -0.019 0.000 2.187 544 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.261 544 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.261 544 G C 1.146 176.015 174.900 -0.050 0.000 1.000 544 G CA 1.278 46.353 45.100 -0.040 0.000 0.718 544 G HN 1.208 nan 8.290 nan 0.000 0.519 545 K N 0.284 120.654 120.400 -0.050 0.000 2.097 545 K HA -0.047 4.272 4.320 -0.001 0.000 0.206 545 K C 1.049 177.604 176.600 -0.074 0.000 1.049 545 K CA 1.357 57.612 56.287 -0.055 0.000 0.933 545 K CB -0.091 32.377 32.500 -0.053 0.000 0.717 545 K HN 0.462 nan 8.250 nan 0.000 0.442 546 N N -0.212 118.419 118.700 -0.114 0.000 2.609 546 N HA 0.221 4.960 4.740 -0.001 0.000 0.234 546 N C -2.404 173.006 175.510 -0.167 0.000 1.001 546 N CA -2.129 50.829 53.050 -0.154 0.000 0.926 546 N CB 1.441 39.776 38.487 -0.254 0.000 1.130 546 N HN -0.149 nan 8.380 nan 0.000 0.510 547 P HA -0.086 nan 4.420 nan 0.000 0.223 547 P C -0.446 176.799 177.300 -0.091 0.000 1.144 547 P CA 0.802 63.853 63.100 -0.081 0.000 0.783 547 P CB 0.141 31.813 31.700 -0.046 0.000 0.771 548 D N -0.454 119.876 120.400 -0.118 0.000 2.341 548 D HA -0.069 4.571 4.640 -0.001 0.000 0.233 548 D C -1.267 174.962 176.300 -0.118 0.000 1.270 548 D CA -0.562 53.384 54.000 -0.089 0.000 0.883 548 D CB -0.366 40.394 40.800 -0.067 0.000 1.207 548 D HN -0.006 nan 8.370 nan 0.000 0.471 549 P HA -0.194 nan 4.420 nan 0.000 0.203 549 P C 1.599 178.930 177.300 0.052 0.000 1.087 549 P CA 1.551 64.696 63.100 0.076 0.000 0.952 549 P CB -0.327 31.489 31.700 0.193 0.000 0.758 550 W N -0.234 121.092 121.300 0.042 0.000 2.480 550 W HA 0.112 4.771 4.660 -0.002 0.000 0.257 550 W C -0.103 176.441 176.519 0.041 0.000 1.235 550 W CA 0.615 57.982 57.345 0.037 0.000 1.218 550 W CB -1.501 27.984 29.460 0.041 0.000 1.131 550 W HN -0.091 nan 8.180 nan 0.000 0.606 551 A N 1.483 123.932 122.820 -0.618 0.000 2.304 551 A HA 0.595 4.914 4.320 -0.001 0.000 0.314 551 A C 0.253 177.687 177.584 -0.250 0.000 1.187 551 A CA -0.402 51.316 52.037 -0.532 0.000 0.810 551 A CB 1.609 20.070 19.000 -0.899 0.000 1.183 551 A HN 0.232 nan 8.150 nan 0.000 0.487 552 K N 1.385 121.716 120.400 -0.116 0.000 2.960 552 K HA -0.043 4.276 4.320 -0.001 0.000 0.286 552 K C 1.018 177.605 176.600 -0.023 0.000 2.705 552 K CA 0.703 56.951 56.287 -0.065 0.000 1.481 552 K CB -0.310 32.161 32.500 -0.047 0.000 2.944 552 K HN 0.626 nan 8.250 nan 0.000 0.340 553 N N 2.242 120.938 118.700 -0.006 0.000 2.289 553 N HA -0.069 4.670 4.740 -0.001 0.000 0.184 553 N C 0.321 175.842 175.510 0.019 0.000 1.016 553 N CA 0.793 53.844 53.050 0.003 0.000 0.872 553 N CB -0.840 37.648 38.487 0.002 0.000 0.973 553 N HN 0.292 nan 8.380 nan 0.000 0.433 554 L N 1.131 122.384 121.223 0.050 0.000 2.678 554 L HA -0.082 4.257 4.340 -0.001 0.000 0.285 554 L C 0.119 177.058 176.870 0.115 0.000 1.233 554 L CA 0.296 55.210 54.840 0.123 0.000 0.920 554 L CB -0.378 41.822 42.059 0.235 0.000 1.176 554 L HN 0.306 nan 8.230 nan 0.000 0.495 555 N N 2.501 121.239 118.700 0.063 0.000 2.525 555 N HA 0.236 4.975 4.740 -0.001 0.000 0.288 555 N C 0.543 176.113 175.510 0.101 0.000 1.242 555 N CA -0.777 52.303 53.050 0.049 0.000 0.905 555 N CB 1.293 39.771 38.487 -0.015 0.000 1.258 555 N HN 0.508 nan 8.380 nan 0.000 0.551 556 E N 0.374 120.627 120.200 0.089 0.000 2.072 556 E HA -0.096 4.253 4.350 -0.001 0.000 0.190 556 E C 1.102 177.755 176.600 0.088 0.000 0.982 556 E CA 0.769 57.245 56.400 0.126 0.000 0.803 556 E CB 0.179 29.924 29.700 0.075 0.000 0.755 556 E HN 0.314 nan 8.360 nan 0.000 0.453 557 K N 1.400 121.808 120.400 0.013 0.000 2.439 557 K HA -0.126 4.193 4.320 -0.001 0.000 0.197 557 K C 0.853 177.398 176.600 -0.092 0.000 1.041 557 K CA 0.738 57.016 56.287 -0.015 0.000 0.970 557 K CB -0.079 32.407 32.500 -0.024 0.000 0.773 557 K HN 0.015 nan 8.250 nan 0.000 0.479 558 D N -0.574 119.697 120.400 -0.216 0.000 2.311 558 D HA -0.123 4.516 4.640 -0.001 0.000 0.212 558 D C -0.369 175.467 176.300 -0.774 0.000 0.972 558 D CA 1.127 54.807 54.000 -0.534 0.000 0.887 558 D CB 0.042 40.386 40.800 -0.761 0.000 0.915 558 D HN 0.180 nan 8.370 nan 0.000 0.497 559 Y N -0.250 120.097 120.300 0.078 0.000 2.442 559 Y HA 0.383 4.933 4.550 -0.001 0.000 0.344 559 Y C 0.451 176.396 175.900 0.075 0.000 0.976 559 Y CA -1.250 56.902 58.100 0.087 0.000 1.040 559 Y CB 1.389 39.939 38.460 0.150 0.000 1.228 559 Y HN -0.331 nan 8.280 nan 0.000 0.451 560 E N 2.202 122.522 120.200 0.199 0.000 2.292 560 E HA 0.447 4.796 4.350 -0.001 0.000 0.258 560 E C -1.144 175.546 176.600 0.151 0.000 1.115 560 E CA -0.905 55.576 56.400 0.136 0.000 0.929 560 E CB 2.239 31.996 29.700 0.096 0.000 1.161 560 E HN 0.598 nan 8.360 nan 0.000 0.453 561 L N 1.541 122.837 121.223 0.121 0.000 2.362 561 L HA 0.366 4.706 4.340 -0.001 0.000 0.275 561 L C -0.782 176.156 176.870 0.114 0.000 0.998 561 L CA -0.672 54.242 54.840 0.123 0.000 0.820 561 L CB 0.964 43.096 42.059 0.120 0.000 1.270 561 L HN 0.302 nan 8.230 nan 0.000 0.415 562 L N 3.765 125.069 121.223 0.134 0.000 2.397 562 L HA 0.351 4.690 4.340 -0.001 0.000 0.271 562 L C -0.593 176.329 176.870 0.086 0.000 1.148 562 L CA -0.367 54.568 54.840 0.159 0.000 0.825 562 L CB 1.001 43.222 42.059 0.270 0.000 1.117 562 L HN 0.651 nan 8.230 nan 0.000 0.456 563 c N 2.203 120.831 118.600 0.047 0.000 2.779 563 c HA 0.361 4.930 4.570 -0.001 0.000 0.314 563 c C 1.617 175.593 174.090 -0.191 0.000 1.231 563 c CA -0.910 55.371 56.329 -0.080 0.000 1.652 563 c CB 1.624 44.114 42.510 -0.033 0.000 2.198 563 c HN 0.812 nan 8.230 nan 0.000 0.483 564 L N 1.613 122.625 121.223 -0.351 0.000 2.046 564 L HA -0.148 4.191 4.340 -0.001 0.000 0.208 564 L C 2.544 179.343 176.870 -0.119 0.000 1.077 564 L CA 2.079 56.669 54.840 -0.417 0.000 0.747 564 L CB -0.523 41.308 42.059 -0.380 0.000 0.896 564 L HN 0.893 nan 8.230 nan 0.000 0.432 565 D N -0.464 119.896 120.400 -0.068 0.000 2.178 565 D HA -0.157 4.482 4.640 -0.001 0.000 0.201 565 D C 1.568 177.897 176.300 0.049 0.000 0.980 565 D CA 1.765 55.764 54.000 -0.001 0.000 0.842 565 D CB 0.232 41.029 40.800 -0.006 0.000 0.948 565 D HN 0.424 nan 8.370 nan 0.000 0.472 566 G N -0.189 108.649 108.800 0.064 0.000 2.797 566 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.195 566 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.195 566 G C 0.703 175.657 174.900 0.091 0.000 1.026 566 G CA 0.440 45.605 45.100 0.109 0.000 0.759 566 G HN 0.718 nan 8.290 nan 0.000 0.475 567 T N -0.778 113.810 114.554 0.058 0.000 2.589 567 T HA 0.471 4.820 4.350 -0.001 0.000 0.342 567 T C 0.644 175.381 174.700 0.062 0.000 1.044 567 T CA 0.796 62.926 62.100 0.050 0.000 1.020 567 T CB 0.706 69.592 68.868 0.031 0.000 1.070 567 T HN 0.442 nan 8.240 nan 0.000 0.524 568 R N 0.101 120.634 120.500 0.054 0.000 2.583 568 R HA 0.222 4.561 4.340 -0.001 0.000 0.282 568 R C -0.755 175.577 176.300 0.053 0.000 1.288 568 R CA -0.556 55.583 56.100 0.064 0.000 1.415 568 R CB 0.493 30.837 30.300 0.073 0.000 1.331 568 R HN 0.532 nan 8.270 nan 0.000 0.719 569 K N 1.761 122.185 120.400 0.040 0.000 2.489 569 K HA 0.041 4.360 4.320 -0.001 0.000 0.278 569 K C -2.307 174.317 176.600 0.040 0.000 1.000 569 K CA -1.016 55.288 56.287 0.028 0.000 1.012 569 K CB 0.060 32.567 32.500 0.011 0.000 0.903 569 K HN -0.055 nan 8.250 nan 0.000 0.485 570 P HA -0.185 nan 4.420 nan 0.000 0.269 570 P C 0.934 178.271 177.300 0.062 0.000 1.200 570 P CA -0.004 63.126 63.100 0.049 0.000 0.779 570 P CB 0.373 32.088 31.700 0.026 0.000 0.841 571 V N -0.390 119.581 119.914 0.096 0.000 2.720 571 V HA -0.214 3.905 4.120 -0.001 0.000 0.256 571 V C 1.511 177.673 176.094 0.115 0.000 1.082 571 V CA 1.707 64.082 62.300 0.125 0.000 1.101 571 V CB -1.395 30.512 31.823 0.140 0.000 0.693 571 V HN 0.313 nan 8.190 nan 0.000 0.479 572 E N 1.641 121.870 120.200 0.047 0.000 2.265 572 E HA -0.113 4.236 4.350 -0.001 0.000 0.196 572 E C 1.006 177.517 176.600 -0.148 0.000 0.996 572 E CA 1.388 57.779 56.400 -0.015 0.000 0.832 572 E CB -0.294 29.390 29.700 -0.028 0.000 0.756 572 E HN 0.916 nan 8.360 nan 0.000 0.491 573 E N -0.030 120.091 120.200 -0.131 0.000 3.170 573 E HA 0.084 4.434 4.350 -0.001 0.000 0.212 573 E C -0.165 176.310 176.600 -0.209 0.000 1.143 573 E CA -0.283 55.974 56.400 -0.239 0.000 1.139 573 E CB 0.025 29.644 29.700 -0.135 0.000 1.346 573 E HN 0.366 nan 8.360 nan 0.000 0.432 574 Y N -0.507 119.719 120.300 -0.123 0.000 2.337 574 Y HA 0.186 4.735 4.550 -0.001 0.000 0.293 574 Y C 2.177 177.832 175.900 -0.408 0.000 1.123 574 Y CA 0.551 58.553 58.100 -0.164 0.000 1.201 574 Y CB -0.467 37.935 38.460 -0.096 0.000 1.011 574 Y HN 0.269 nan 8.280 nan 0.000 0.545 575 A N 0.927 123.352 122.820 -0.658 0.000 2.131 575 A HA -0.207 4.112 4.320 -0.001 0.000 0.220 575 A C 1.404 178.808 177.584 -0.300 0.000 1.158 575 A CA 1.929 53.512 52.037 -0.756 0.000 0.665 575 A CB -0.952 17.703 19.000 -0.574 0.000 0.795 575 A HN 0.668 nan 8.150 nan 0.000 0.460 576 N N -2.281 116.330 118.700 -0.147 0.000 2.414 576 N HA 0.132 4.871 4.740 -0.001 0.000 0.177 576 N C -0.385 175.176 175.510 0.085 0.000 1.062 576 N CA 0.463 53.510 53.050 -0.006 0.000 0.890 576 N CB 0.438 38.897 38.487 -0.047 0.000 1.070 576 N HN 0.273 nan 8.380 nan 0.000 0.454 577 c N 2.475 121.132 118.600 0.095 0.000 2.335 577 c HA 0.422 4.991 4.570 -0.001 0.000 0.318 577 c C -1.101 173.103 174.090 0.190 0.000 1.150 577 c CA -0.654 55.730 56.329 0.091 0.000 1.466 577 c CB -1.088 41.453 42.510 0.052 0.000 2.024 577 c HN 0.443 nan 8.230 nan 0.000 0.429 578 H N 1.861 120.952 119.070 0.036 0.000 2.974 578 H HA 0.362 4.917 4.556 -0.001 0.000 0.366 578 H C -0.072 175.265 175.328 0.015 0.000 1.155 578 H CA -0.952 55.160 56.048 0.107 0.000 1.186 578 H CB 0.369 30.318 29.762 0.313 0.000 1.799 578 H HN 0.360 nan 8.280 nan 0.000 0.541 579 L N 1.269 122.468 121.223 -0.041 0.000 2.017 579 L HA 0.169 4.509 4.340 -0.001 0.000 0.208 579 L C 1.124 177.895 176.870 -0.164 0.000 1.073 579 L CA 1.946 56.662 54.840 -0.207 0.000 0.745 579 L CB -0.327 41.684 42.059 -0.080 0.000 0.894 579 L HN 0.835 nan 8.230 nan 0.000 0.432 580 A N -1.053 121.808 122.820 0.068 0.000 2.544 580 A HA 0.580 4.899 4.320 -0.001 0.000 0.291 580 A C -1.209 176.520 177.584 0.242 0.000 1.055 580 A CA -0.673 51.463 52.037 0.164 0.000 0.651 580 A CB 0.973 20.007 19.000 0.057 0.000 1.296 580 A HN 0.035 nan 8.150 nan 0.000 0.431 581 R N 0.309 120.856 120.500 0.078 0.000 2.393 581 R HA 0.664 5.003 4.340 -0.001 0.000 0.310 581 R C -0.150 175.941 176.300 -0.348 0.000 0.968 581 R CA 0.045 55.970 56.100 -0.292 0.000 0.867 581 R CB 1.540 31.536 30.300 -0.508 0.000 1.124 581 R HN 1.251 nan 8.270 nan 0.000 0.450 582 A N 7.070 129.532 122.820 -0.597 0.000 2.310 582 A HA 0.363 4.682 4.320 -0.001 0.000 0.300 582 A C -2.177 175.037 177.584 -0.617 0.000 1.269 582 A CA -1.526 50.124 52.037 -0.646 0.000 0.909 582 A CB 0.103 18.367 19.000 -1.227 0.000 1.144 582 A HN 0.561 nan 8.150 nan 0.000 0.540 583 P HA 0.129 nan 4.420 nan 0.000 0.274 583 P C -0.671 176.545 177.300 -0.141 0.000 1.256 583 P CA -0.455 62.353 63.100 -0.488 0.000 0.795 583 P CB 0.849 32.129 31.700 -0.701 0.000 1.038 584 N N -0.528 118.178 118.700 0.010 0.000 2.482 584 N HA 0.201 4.941 4.740 -0.001 0.000 0.279 584 N C 0.343 176.111 175.510 0.429 0.000 1.182 584 N CA -0.476 52.723 53.050 0.248 0.000 0.969 584 N CB 0.046 38.556 38.487 0.038 0.000 1.201 584 N HN 0.479 nan 8.380 nan 0.000 0.523 585 H N -0.292 118.949 119.070 0.284 0.000 2.852 585 H HA 0.361 4.916 4.556 -0.002 0.000 0.362 585 H C -0.251 175.190 175.328 0.188 0.000 1.122 585 H CA -0.279 55.919 56.048 0.249 0.000 1.419 585 H CB 0.674 30.597 29.762 0.269 0.000 1.401 585 H HN 0.514 nan 8.280 nan 0.000 0.609 586 A N 2.191 125.138 122.820 0.211 0.000 2.486 586 A HA 0.390 4.709 4.320 -0.001 0.000 0.300 586 A C -0.771 176.838 177.584 0.041 0.000 1.048 586 A CA -0.708 51.340 52.037 0.018 0.000 0.696 586 A CB 1.243 20.011 19.000 -0.388 0.000 1.278 586 A HN 0.433 nan 8.150 nan 0.000 0.405 587 V N 2.224 122.184 119.914 0.077 0.000 2.555 587 V HA 0.439 4.558 4.120 -0.001 0.000 0.286 587 V C 0.560 176.621 176.094 -0.054 0.000 1.044 587 V CA 0.194 62.545 62.300 0.085 0.000 1.026 587 V CB 0.787 32.745 31.823 0.225 0.000 0.981 587 V HN 1.205 nan 8.190 nan 0.000 0.480 588 V N 2.281 122.128 119.914 -0.112 0.000 3.074 588 V HA 1.034 5.153 4.120 -0.001 0.000 0.314 588 V C -0.482 175.516 176.094 -0.160 0.000 1.117 588 V CA -0.142 62.086 62.300 -0.119 0.000 1.014 588 V CB 2.227 33.989 31.823 -0.101 0.000 1.057 588 V HN 0.950 nan 8.190 nan 0.000 0.438 589 T N 0.956 115.435 114.554 -0.127 0.000 2.693 589 T HA 0.423 4.773 4.350 -0.001 0.000 0.304 589 T C -1.090 173.541 174.700 -0.115 0.000 1.471 589 T CA -0.798 61.219 62.100 -0.139 0.000 0.993 589 T CB 1.832 70.627 68.868 -0.122 0.000 1.554 589 T HN 1.128 nan 8.240 nan 0.000 0.496 590 R N 1.410 121.828 120.500 -0.138 0.000 2.389 590 R HA 0.333 4.672 4.340 -0.001 0.000 0.295 590 R C 1.371 177.606 176.300 -0.108 0.000 1.075 590 R CA -0.191 55.816 56.100 -0.154 0.000 1.005 590 R CB 0.588 30.733 30.300 -0.258 0.000 0.987 590 R HN 0.674 nan 8.270 nan 0.000 0.452 591 K N 2.096 122.452 120.400 -0.073 0.000 2.090 591 K HA -0.278 4.041 4.320 -0.001 0.000 0.218 591 K C 1.200 177.784 176.600 -0.026 0.000 1.055 591 K CA 2.561 58.829 56.287 -0.032 0.000 0.941 591 K CB -0.043 32.452 32.500 -0.009 0.000 0.722 591 K HN 0.778 nan 8.250 nan 0.000 0.458 592 D N -0.375 120.000 120.400 -0.041 0.000 2.310 592 D HA -0.178 4.462 4.640 -0.001 0.000 0.212 592 D C 0.808 177.093 176.300 -0.025 0.000 0.965 592 D CA 0.919 54.907 54.000 -0.021 0.000 0.879 592 D CB 0.028 40.819 40.800 -0.015 0.000 0.921 592 D HN 0.264 nan 8.370 nan 0.000 0.510 593 K N 0.637 121.009 120.400 -0.046 0.000 2.356 593 K HA -0.004 4.315 4.320 -0.001 0.000 0.195 593 K C 1.872 178.474 176.600 0.003 0.000 1.037 593 K CA -0.023 56.247 56.287 -0.030 0.000 1.014 593 K CB 0.140 32.605 32.500 -0.058 0.000 0.815 593 K HN 0.280 nan 8.250 nan 0.000 0.507 594 E N 1.723 121.928 120.200 0.007 0.000 2.236 594 E HA -0.292 4.057 4.350 -0.001 0.000 0.205 594 E C 1.728 178.381 176.600 0.089 0.000 1.028 594 E CA 1.558 57.984 56.400 0.043 0.000 0.827 594 E CB 0.020 29.745 29.700 0.042 0.000 0.735 594 E HN 0.315 nan 8.360 nan 0.000 0.470 595 A N 0.159 123.018 122.820 0.065 0.000 1.841 595 A HA -0.187 4.132 4.320 -0.001 0.000 0.214 595 A C 2.503 180.138 177.584 0.086 0.000 1.195 595 A CA 1.437 53.515 52.037 0.069 0.000 0.611 595 A CB -0.902 18.121 19.000 0.039 0.000 0.835 595 A HN 0.544 nan 8.150 nan 0.000 0.443 596 c N -1.117 117.522 118.600 0.064 0.000 2.435 596 c HA 0.002 4.571 4.570 -0.001 0.000 0.279 596 c C 2.752 176.899 174.090 0.096 0.000 1.321 596 c CA 0.799 57.168 56.329 0.068 0.000 1.752 596 c CB -1.164 41.371 42.510 0.042 0.000 1.959 596 c HN 0.438 nan 8.230 nan 0.000 0.500 597 V N 0.183 120.155 119.914 0.096 0.000 2.343 597 V HA -0.242 3.877 4.120 -0.001 0.000 0.247 597 V C 2.622 178.806 176.094 0.151 0.000 1.051 597 V CA 2.218 64.590 62.300 0.121 0.000 1.036 597 V CB -0.855 31.015 31.823 0.078 0.000 0.654 597 V HN 0.605 nan 8.190 nan 0.000 0.451 598 H N 0.557 119.668 119.070 0.068 0.000 2.326 598 H HA -0.117 4.438 4.556 -0.001 0.000 0.301 598 H C 2.330 177.686 175.328 0.047 0.000 1.081 598 H CA 2.240 58.322 56.048 0.056 0.000 1.334 598 H CB 0.047 29.829 29.762 0.034 0.000 1.385 598 H HN 0.443 nan 8.280 nan 0.000 0.504 599 K N 0.372 120.910 120.400 0.229 0.000 1.965 599 K HA -0.115 4.204 4.320 -0.001 0.000 0.218 599 K C 2.442 179.112 176.600 0.117 0.000 1.048 599 K CA 1.822 58.191 56.287 0.136 0.000 0.960 599 K CB -0.341 32.210 32.500 0.085 0.000 0.732 599 K HN 0.168 nan 8.250 nan 0.000 0.444 600 I N 1.448 122.085 120.570 0.112 0.000 2.113 600 I HA -0.362 3.807 4.170 -0.001 0.000 0.242 600 I C 2.533 178.737 176.117 0.145 0.000 1.064 600 I CA 1.420 62.788 61.300 0.113 0.000 1.320 600 I CB -0.344 37.718 38.000 0.103 0.000 1.028 600 I HN 0.332 nan 8.210 nan 0.000 0.406 601 L N -0.034 121.297 121.223 0.180 0.000 1.989 601 L HA -0.267 4.072 4.340 -0.001 0.000 0.211 601 L C 2.854 179.768 176.870 0.074 0.000 1.071 601 L CA 1.498 56.465 54.840 0.211 0.000 0.749 601 L CB -0.575 41.633 42.059 0.248 0.000 0.890 601 L HN 0.239 nan 8.230 nan 0.000 0.431 602 R N 0.034 120.542 120.500 0.014 0.000 2.112 602 R HA -0.281 4.058 4.340 -0.001 0.000 0.242 602 R C 2.383 178.421 176.300 -0.437 0.000 1.137 602 R CA 2.442 58.449 56.100 -0.155 0.000 0.944 602 R CB -0.334 29.942 30.300 -0.039 0.000 0.857 602 R HN 0.587 nan 8.270 nan 0.000 0.435 603 Q N -0.486 119.174 119.800 -0.235 0.000 2.167 603 Q HA -0.225 4.114 4.340 -0.001 0.000 0.202 603 Q C 1.910 177.873 176.000 -0.062 0.000 0.970 603 Q CA 1.391 57.089 55.803 -0.177 0.000 0.855 603 Q CB -0.152 28.595 28.738 0.015 0.000 0.911 603 Q HN 0.219 nan 8.270 nan 0.000 0.438 604 Q N 1.433 121.263 119.800 0.051 0.000 2.050 604 Q HA -0.208 4.131 4.340 -0.001 0.000 0.202 604 Q C 2.049 178.101 176.000 0.086 0.000 0.980 604 Q CA 2.414 58.362 55.803 0.242 0.000 0.840 604 Q CB -0.090 28.923 28.738 0.458 0.000 0.898 604 Q HN 0.776 nan 8.270 nan 0.000 0.424 605 Q N -1.993 117.758 119.800 -0.082 0.000 2.436 605 Q HA -0.146 4.193 4.340 -0.001 0.000 0.209 605 Q C 1.244 177.198 176.000 -0.076 0.000 0.965 605 Q CA 1.411 57.099 55.803 -0.191 0.000 0.910 605 Q CB -0.280 28.362 28.738 -0.161 0.000 0.980 605 Q HN 0.610 nan 8.270 nan 0.000 0.491 606 H N 0.139 119.139 119.070 -0.118 0.000 2.436 606 H HA 0.077 4.632 4.556 -0.002 0.000 0.294 606 H C 1.716 176.894 175.328 -0.251 0.000 1.048 606 H CA 0.940 56.906 56.048 -0.136 0.000 1.353 606 H CB 0.363 30.073 29.762 -0.085 0.000 1.414 606 H HN 0.227 nan 8.280 nan 0.000 0.536 607 L N -0.835 120.208 121.223 -0.300 0.000 2.253 607 L HA 0.029 4.369 4.340 -0.001 0.000 0.205 607 L C 0.671 176.958 176.870 -0.971 0.000 1.078 607 L CA 0.712 55.090 54.840 -0.770 0.000 0.805 607 L CB 0.203 41.495 42.059 -1.279 0.000 0.963 607 L HN 0.211 nan 8.230 nan 0.000 0.459 608 F N -0.689 119.173 119.950 -0.146 0.000 2.729 608 F HA 0.377 4.904 4.527 -0.001 0.000 0.315 608 F C 1.563 177.060 175.800 -0.505 0.000 1.102 608 F CA -0.511 57.301 58.000 -0.313 0.000 1.204 608 F CB -0.272 38.516 39.000 -0.353 0.000 1.052 608 F HN -0.120 nan 8.300 nan 0.000 0.551 609 G N 0.087 108.699 108.800 -0.312 0.000 2.580 609 G HA2 0.116 4.075 3.960 -0.001 0.000 0.225 609 G HA3 0.116 4.075 3.960 -0.001 0.000 0.225 609 G C 0.133 174.955 174.900 -0.130 0.000 1.521 609 G CA -0.454 44.441 45.100 -0.342 0.000 1.068 609 G HN 0.121 nan 8.290 nan 0.000 0.564 610 S N 1.175 116.889 115.700 0.023 0.000 3.919 610 S HA 0.243 4.712 4.470 -0.001 0.000 0.245 610 S C -0.294 174.298 174.600 -0.013 0.000 1.344 610 S CA -0.318 57.899 58.200 0.029 0.000 0.896 610 S CB 0.059 63.300 63.200 0.067 0.000 1.557 610 S HN 0.516 nan 8.310 nan 0.000 0.468 611 D N 0.664 121.037 120.400 -0.046 0.000 3.118 611 D HA 0.033 4.672 4.640 -0.001 0.000 0.222 611 D C 0.666 176.937 176.300 -0.048 0.000 1.470 611 D CA 0.167 54.135 54.000 -0.053 0.000 1.347 611 D CB -0.377 40.374 40.800 -0.081 0.000 1.221 611 D HN 0.440 nan 8.370 nan 0.000 0.326 612 V N 2.105 121.986 119.914 -0.056 0.000 2.493 612 V HA 0.213 4.332 4.120 -0.001 0.000 0.292 612 V C 0.829 176.907 176.094 -0.027 0.000 1.016 612 V CA 0.240 62.518 62.300 -0.037 0.000 1.097 612 V CB 0.376 32.183 31.823 -0.027 0.000 0.947 612 V HN 0.118 nan 8.190 nan 0.000 0.479 613 T N 2.264 116.807 114.554 -0.018 0.000 3.219 613 T HA 0.119 4.469 4.350 -0.001 0.000 0.249 613 T C 0.220 174.916 174.700 -0.007 0.000 1.099 613 T CA 0.568 62.660 62.100 -0.013 0.000 0.988 613 T CB -0.485 68.377 68.868 -0.010 0.000 0.999 613 T HN 0.864 nan 8.240 nan 0.000 0.550 614 D N 0.033 120.430 120.400 -0.005 0.000 2.378 614 D HA 0.303 4.942 4.640 -0.001 0.000 0.265 614 D C 0.347 176.651 176.300 0.007 0.000 1.229 614 D CA -0.738 53.264 54.000 0.004 0.000 0.914 614 D CB -0.062 40.745 40.800 0.011 0.000 1.140 614 D HN 0.031 nan 8.370 nan 0.000 0.516 615 c N 1.055 119.653 118.600 -0.003 0.000 2.539 615 c HA 0.046 4.615 4.570 -0.001 0.000 0.268 615 c C 2.377 176.478 174.090 0.017 0.000 1.395 615 c CA 0.167 56.489 56.329 -0.012 0.000 1.757 615 c CB -0.781 41.708 42.510 -0.035 0.000 1.851 615 c HN 0.542 nan 8.230 nan 0.000 0.545 616 S N 1.048 116.761 115.700 0.023 0.000 2.336 616 S HA -0.005 4.464 4.470 -0.001 0.000 0.216 616 S C 2.157 176.784 174.600 0.045 0.000 1.032 616 S CA 1.488 59.708 58.200 0.032 0.000 0.973 616 S CB -0.672 62.543 63.200 0.024 0.000 0.888 616 S HN 0.686 nan 8.310 nan 0.000 0.455 617 G N 2.333 111.158 108.800 0.042 0.000 2.402 617 G HA2 -0.057 3.902 3.960 -0.001 0.000 0.216 617 G HA3 -0.057 3.902 3.960 -0.001 0.000 0.216 617 G C 0.701 175.645 174.900 0.072 0.000 1.162 617 G CA 0.515 45.644 45.100 0.048 0.000 0.777 617 G HN 0.394 nan 8.290 nan 0.000 0.539 618 N N -1.077 117.674 118.700 0.085 0.000 2.752 618 N HA 0.542 5.281 4.740 -0.001 0.000 0.316 618 N C -1.190 174.433 175.510 0.188 0.000 1.343 618 N CA -0.732 52.402 53.050 0.139 0.000 0.875 618 N CB 0.364 38.931 38.487 0.134 0.000 1.120 618 N HN 0.103 nan 8.380 nan 0.000 0.562 619 F N 0.207 120.196 119.950 0.065 0.000 2.507 619 F HA 0.524 5.051 4.527 -0.000 0.000 0.328 619 F C -1.380 174.425 175.800 0.008 0.000 1.136 619 F CA -1.129 56.869 58.000 -0.003 0.000 0.930 619 F CB 0.732 39.677 39.000 -0.092 0.000 1.166 619 F HN 0.295 nan 8.300 nan 0.000 0.436 620 c N 7.664 125.815 118.600 -0.748 0.000 2.255 620 c HA 0.261 4.830 4.570 -0.001 0.000 0.326 620 c C 1.524 174.870 174.090 -1.240 0.000 1.258 620 c CA -0.781 55.098 56.329 -0.750 0.000 1.676 620 c CB 0.295 42.608 42.510 -0.329 0.000 2.314 620 c HN 1.038 nan 8.230 nan 0.000 0.509 621 L N 2.948 123.376 121.223 -1.325 0.000 2.349 621 L HA 0.033 4.372 4.340 -0.001 0.000 0.220 621 L C 0.901 177.335 176.870 -0.726 0.000 1.130 621 L CA 1.905 56.002 54.840 -1.237 0.000 0.791 621 L CB -0.528 40.743 42.059 -1.313 0.000 0.918 621 L HN 0.749 nan 8.230 nan 0.000 0.444 622 F N -0.600 119.111 119.950 -0.398 0.000 2.923 622 F HA 0.385 4.912 4.527 -0.001 0.000 0.314 622 F C 0.662 176.374 175.800 -0.146 0.000 1.196 622 F CA -0.913 56.956 58.000 -0.218 0.000 1.320 622 F CB 0.252 39.130 39.000 -0.203 0.000 0.953 622 F HN -0.114 nan 8.300 nan 0.000 0.505 623 R N 0.014 120.507 120.500 -0.012 0.000 2.744 623 R HA 0.619 4.958 4.340 -0.001 0.000 0.279 623 R C -1.086 175.232 176.300 0.030 0.000 0.977 623 R CA -0.465 55.631 56.100 -0.006 0.000 0.906 623 R CB 2.071 32.333 30.300 -0.064 0.000 1.197 623 R HN -0.012 nan 8.270 nan 0.000 0.463 624 S N 0.798 116.524 115.700 0.044 0.000 2.548 624 S HA 0.191 4.660 4.470 -0.001 0.000 0.286 624 S C 0.255 174.882 174.600 0.045 0.000 1.098 624 S CA -0.896 57.341 58.200 0.061 0.000 0.930 624 S CB 1.830 65.067 63.200 0.061 0.000 1.070 624 S HN 0.754 nan 8.310 nan 0.000 0.480 625 E N 1.226 121.461 120.200 0.059 0.000 2.204 625 E HA -0.108 4.242 4.350 -0.001 0.000 0.194 625 E C 1.280 177.873 176.600 -0.012 0.000 0.989 625 E CA 1.771 58.197 56.400 0.043 0.000 0.824 625 E CB 0.152 29.907 29.700 0.091 0.000 0.756 625 E HN 0.818 nan 8.360 nan 0.000 0.477 626 T N -2.887 111.643 114.554 -0.040 0.000 1.744 626 T HA 0.297 4.646 4.350 -0.001 0.000 0.186 626 T C -0.125 174.557 174.700 -0.029 0.000 0.723 626 T CA -0.747 61.302 62.100 -0.084 0.000 1.264 626 T CB 0.263 69.011 68.868 -0.200 0.000 3.334 626 T HN -0.058 nan 8.240 nan 0.000 0.421 627 K N 1.002 121.390 120.400 -0.019 0.000 2.316 627 K HA 0.316 4.635 4.320 -0.001 0.000 0.251 627 K C -1.175 175.446 176.600 0.035 0.000 0.934 627 K CA -0.484 55.808 56.287 0.009 0.000 0.802 627 K CB 0.926 33.431 32.500 0.009 0.000 1.171 627 K HN 0.586 nan 8.250 nan 0.000 0.426 628 D N 3.782 124.208 120.400 0.043 0.000 3.061 628 D HA -0.245 4.394 4.640 -0.001 0.000 0.203 628 D C 0.805 177.165 176.300 0.099 0.000 1.245 628 D CA 0.765 54.808 54.000 0.072 0.000 0.812 628 D CB -0.434 40.404 40.800 0.064 0.000 0.857 628 D HN 0.498 nan 8.370 nan 0.000 0.387 629 L N 0.378 121.665 121.223 0.107 0.000 2.077 629 L HA -0.045 4.294 4.340 -0.001 0.000 0.225 629 L C 2.707 179.636 176.870 0.099 0.000 1.117 629 L CA -0.128 54.777 54.840 0.108 0.000 2.064 629 L CB -0.506 41.621 42.059 0.113 0.000 1.738 629 L HN 0.228 nan 8.230 nan 0.000 0.927 630 L N -1.442 119.819 121.223 0.064 0.000 2.081 630 L HA -0.165 4.175 4.340 -0.001 0.000 0.212 630 L C 0.143 176.818 176.870 -0.325 0.000 1.080 630 L CA 1.385 56.164 54.840 -0.102 0.000 0.754 630 L CB -0.290 41.613 42.059 -0.260 0.000 0.893 630 L HN 0.151 nan 8.230 nan 0.000 0.433 631 F N -2.589 117.466 119.950 0.175 0.000 2.675 631 F HA 0.475 5.001 4.527 -0.002 0.000 0.324 631 F C 0.463 176.317 175.800 0.089 0.000 1.106 631 F CA -1.117 56.988 58.000 0.175 0.000 0.970 631 F CB 0.878 39.987 39.000 0.181 0.000 1.385 631 F HN -0.358 nan 8.300 nan 0.000 0.489 632 R N 0.982 121.624 120.500 0.237 0.000 2.438 632 R HA 0.106 4.445 4.340 -0.001 0.000 0.287 632 R C 0.113 176.397 176.300 -0.027 0.000 1.077 632 R CA -0.195 55.922 56.100 0.029 0.000 1.034 632 R CB 0.712 30.914 30.300 -0.163 0.000 0.993 632 R HN 0.644 nan 8.270 nan 0.000 0.459 633 D N 1.812 122.196 120.400 -0.027 0.000 2.265 633 D HA -0.153 4.486 4.640 -0.001 0.000 0.208 633 D C 0.529 176.779 176.300 -0.084 0.000 0.977 633 D CA 1.262 55.247 54.000 -0.025 0.000 0.871 633 D CB 0.193 40.985 40.800 -0.013 0.000 0.925 633 D HN 0.539 nan 8.370 nan 0.000 0.485 634 D N 0.318 120.619 120.400 -0.165 0.000 2.347 634 D HA -0.042 4.597 4.640 -0.001 0.000 0.215 634 D C 0.254 176.524 176.300 -0.051 0.000 0.976 634 D CA 0.444 54.334 54.000 -0.183 0.000 0.884 634 D CB 0.028 40.566 40.800 -0.436 0.000 0.915 634 D HN 0.092 nan 8.370 nan 0.000 0.526 635 T N 0.980 115.454 114.554 -0.133 0.000 2.831 635 T HA 0.071 4.420 4.350 -0.001 0.000 0.291 635 T C 1.725 176.123 174.700 -0.502 0.000 0.981 635 T CA -0.230 61.675 62.100 -0.326 0.000 1.174 635 T CB 1.956 70.245 68.868 -0.965 0.000 0.929 635 T HN -0.185 nan 8.240 nan 0.000 0.532 636 V N 2.544 122.296 119.914 -0.269 0.000 2.575 636 V HA 0.108 4.228 4.120 -0.001 0.000 0.242 636 V C 1.197 177.277 176.094 -0.023 0.000 1.045 636 V CA 0.605 62.842 62.300 -0.105 0.000 1.065 636 V CB -0.146 31.657 31.823 -0.034 0.000 0.717 636 V HN 1.139 nan 8.190 nan 0.000 0.467 637 c N -1.543 116.993 118.600 -0.107 0.000 3.336 637 c HA 0.687 5.256 4.570 -0.001 0.000 0.339 637 c C -0.857 173.193 174.090 -0.067 0.000 1.468 637 c CA -1.120 55.237 56.329 0.047 0.000 1.287 637 c CB 0.958 43.495 42.510 0.045 0.000 1.682 637 c HN 0.197 nan 8.230 nan 0.000 0.451 638 L N 2.329 123.555 121.223 0.006 0.000 2.426 638 L HA 0.566 4.905 4.340 -0.001 0.000 0.255 638 L C 0.819 177.663 176.870 -0.043 0.000 1.080 638 L CA -0.114 54.703 54.840 -0.037 0.000 0.960 638 L CB 0.643 42.697 42.059 -0.007 0.000 1.326 638 L HN 0.964 nan 8.230 nan 0.000 0.441 639 A N 3.728 126.512 122.820 -0.060 0.000 2.454 639 A HA 0.282 4.601 4.320 -0.001 0.000 0.260 639 A C 0.416 177.954 177.584 -0.077 0.000 1.106 639 A CA -0.354 51.652 52.037 -0.051 0.000 0.780 639 A CB 0.101 19.068 19.000 -0.055 0.000 1.044 639 A HN 0.695 nan 8.150 nan 0.000 0.498 640 K N 2.171 122.526 120.400 -0.075 0.000 2.319 640 K HA 0.405 4.724 4.320 -0.001 0.000 0.265 640 K C -0.947 175.525 176.600 -0.215 0.000 1.000 640 K CA -0.185 56.047 56.287 -0.091 0.000 0.943 640 K CB 0.319 32.876 32.500 0.094 0.000 0.950 640 K HN 0.527 nan 8.250 nan 0.000 0.485 641 L N 2.510 123.640 121.223 -0.156 0.000 2.435 641 L HA 0.313 4.652 4.340 -0.001 0.000 0.253 641 L C 0.358 177.178 176.870 -0.083 0.000 1.087 641 L CA -0.982 53.782 54.840 -0.127 0.000 0.950 641 L CB 0.129 42.193 42.059 0.007 0.000 1.304 641 L HN 0.743 nan 8.230 nan 0.000 0.453 642 H N 0.096 119.211 119.070 0.076 0.000 2.278 642 H HA -0.223 4.332 4.556 -0.001 0.000 0.287 642 H C 0.532 175.890 175.328 0.049 0.000 1.107 642 H CA 2.085 58.169 56.048 0.058 0.000 1.192 642 H CB -0.010 29.777 29.762 0.041 0.000 1.346 642 H HN 0.562 nan 8.280 nan 0.000 0.478 643 D N 0.277 120.779 120.400 0.169 0.000 3.110 643 D HA 0.033 4.672 4.640 -0.001 0.000 0.254 643 D C 1.190 177.541 176.300 0.084 0.000 1.283 643 D CA -0.060 54.001 54.000 0.103 0.000 0.944 643 D CB 0.284 41.136 40.800 0.087 0.000 1.066 643 D HN 0.571 nan 8.370 nan 0.000 0.496 644 R N 0.412 120.957 120.500 0.075 0.000 2.075 644 R HA 0.011 4.350 4.340 -0.001 0.000 0.220 644 R C 1.080 177.413 176.300 0.055 0.000 1.118 644 R CA 0.061 56.205 56.100 0.073 0.000 0.986 644 R CB -0.324 29.989 30.300 0.022 0.000 0.884 644 R HN 0.026 nan 8.270 nan 0.000 0.439 645 N N 0.339 119.063 118.700 0.040 0.000 1.073 645 N HA -0.256 4.483 4.740 -0.001 0.000 0.127 645 N C -0.661 174.865 175.510 0.027 0.000 0.605 645 N CA 2.458 55.525 53.050 0.028 0.000 0.860 645 N CB -0.986 37.512 38.487 0.019 0.000 1.302 645 N HN 0.542 nan 8.380 nan 0.000 0.586 646 T N -1.031 113.528 114.554 0.007 0.000 2.898 646 T HA 0.125 4.474 4.350 -0.001 0.000 0.301 646 T C 1.040 175.730 174.700 -0.016 0.000 1.049 646 T CA 0.376 62.475 62.100 -0.001 0.000 1.095 646 T CB 0.303 69.104 68.868 -0.112 0.000 0.976 646 T HN 0.552 nan 8.240 nan 0.000 0.539 647 Y N 0.221 120.559 120.300 0.064 0.000 2.446 647 Y HA -0.090 4.459 4.550 -0.001 0.000 0.287 647 Y C 1.821 177.821 175.900 0.166 0.000 1.159 647 Y CA 1.178 59.355 58.100 0.128 0.000 1.297 647 Y CB -1.091 37.431 38.460 0.103 0.000 0.974 647 Y HN 0.736 nan 8.280 nan 0.000 0.557 648 E N 0.993 120.716 120.200 -0.795 0.000 2.208 648 E HA -0.105 4.245 4.350 -0.001 0.000 0.193 648 E C 1.790 178.291 176.600 -0.164 0.000 0.988 648 E CA 1.116 57.201 56.400 -0.524 0.000 0.828 648 E CB -0.086 29.281 29.700 -0.554 0.000 0.763 648 E HN 0.600 nan 8.360 nan 0.000 0.478 649 K N -0.038 120.307 120.400 -0.092 0.000 2.166 649 K HA -0.048 4.271 4.320 -0.001 0.000 0.201 649 K C 1.895 178.517 176.600 0.036 0.000 1.052 649 K CA 0.499 56.777 56.287 -0.016 0.000 0.969 649 K CB -0.026 32.477 32.500 0.006 0.000 0.761 649 K HN 0.117 nan 8.250 nan 0.000 0.459 650 Y N 1.746 122.017 120.300 -0.049 0.000 2.200 650 Y HA -0.153 4.397 4.550 -0.001 0.000 0.290 650 Y C 1.782 177.636 175.900 -0.077 0.000 1.137 650 Y CA 1.261 59.335 58.100 -0.043 0.000 1.163 650 Y CB 0.109 38.564 38.460 -0.009 0.000 0.988 650 Y HN -0.100 nan 8.280 nan 0.000 0.518 651 L N -0.458 120.741 121.223 -0.040 0.000 2.068 651 L HA 0.208 4.547 4.340 -0.001 0.000 0.204 651 L C 1.033 177.842 176.870 -0.102 0.000 1.076 651 L CA 0.592 55.337 54.840 -0.157 0.000 0.753 651 L CB -0.893 41.291 42.059 0.208 0.000 0.910 651 L HN 0.368 nan 8.230 nan 0.000 0.439 652 G N -0.078 108.716 108.800 -0.010 0.000 2.784 652 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.686 652 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.686 652 G C 0.212 175.146 174.900 0.058 0.000 1.156 652 G CA -0.358 44.745 45.100 0.005 0.000 0.757 652 G HN 0.142 nan 8.290 nan 0.000 0.642 653 E N 1.077 121.295 120.200 0.031 0.000 2.108 653 E HA -0.308 4.041 4.350 -0.001 0.000 0.203 653 E C 2.282 178.899 176.600 0.027 0.000 1.022 653 E CA 2.337 58.754 56.400 0.028 0.000 0.823 653 E CB -0.018 29.689 29.700 0.012 0.000 0.744 653 E HN 0.835 nan 8.360 nan 0.000 0.456 654 E N 0.217 120.431 120.200 0.025 0.000 2.150 654 E HA -0.195 4.154 4.350 -0.001 0.000 0.193 654 E C 1.936 178.536 176.600 -0.000 0.000 0.985 654 E CA 1.059 57.457 56.400 -0.004 0.000 0.814 654 E CB -0.783 28.904 29.700 -0.020 0.000 0.752 654 E HN 0.441 nan 8.360 nan 0.000 0.466 655 Y N 1.122 121.380 120.300 -0.070 0.000 2.206 655 Y HA -0.086 4.463 4.550 -0.002 0.000 0.292 655 Y C 2.138 177.974 175.900 -0.107 0.000 1.123 655 Y CA 1.175 59.220 58.100 -0.091 0.000 1.142 655 Y CB 0.027 38.435 38.460 -0.087 0.000 1.006 655 Y HN -0.066 nan 8.280 nan 0.000 0.518 656 V N 0.628 120.589 119.914 0.078 0.000 2.332 656 V HA -0.336 3.783 4.120 -0.001 0.000 0.248 656 V C 2.258 178.268 176.094 -0.141 0.000 1.055 656 V CA 2.203 64.521 62.300 0.030 0.000 1.038 656 V CB -0.746 31.191 31.823 0.190 0.000 0.651 656 V HN 0.239 nan 8.190 nan 0.000 0.450 657 K N 0.907 121.248 120.400 -0.099 0.000 1.977 657 K HA -0.096 4.223 4.320 -0.001 0.000 0.218 657 K C 1.242 177.716 176.600 -0.211 0.000 1.051 657 K CA 1.566 57.785 56.287 -0.112 0.000 0.953 657 K CB -0.751 31.707 32.500 -0.070 0.000 0.727 657 K HN 0.527 nan 8.250 nan 0.000 0.445 658 A N -0.921 121.737 122.820 -0.269 0.000 2.281 658 A HA 0.333 4.652 4.320 -0.001 0.000 0.271 658 A C 1.120 178.411 177.584 -0.487 0.000 1.196 658 A CA 0.137 51.972 52.037 -0.336 0.000 0.807 658 A CB 0.236 19.027 19.000 -0.348 0.000 1.138 658 A HN 0.380 nan 8.150 nan 0.000 0.506 659 V N -1.354 118.268 119.914 -0.486 0.000 0.582 659 V HA -0.382 3.737 4.120 -0.001 0.000 0.092 659 V C 2.215 177.981 176.094 -0.548 0.000 1.874 659 V CA 2.995 64.960 62.300 -0.559 0.000 3.418 659 V CB -2.104 29.234 31.823 -0.809 0.000 0.707 659 V HN 1.696 nan 8.190 nan 0.000 0.732 660 G N -0.102 108.279 108.800 -0.697 0.000 2.418 660 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.217 660 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.217 660 G C 1.090 175.820 174.900 -0.283 0.000 1.158 660 G CA 1.340 46.169 45.100 -0.451 0.000 0.771 660 G HN 0.635 nan 8.290 nan 0.000 0.545 661 N N 0.168 118.655 118.700 -0.356 0.000 2.135 661 N HA -0.010 4.730 4.740 -0.001 0.000 0.186 661 N C 2.116 177.311 175.510 -0.524 0.000 1.027 661 N CA 0.600 53.325 53.050 -0.542 0.000 0.849 661 N CB -0.329 37.861 38.487 -0.494 0.000 1.002 661 N HN 0.276 nan 8.380 nan 0.000 0.425 662 L N 1.157 122.200 121.223 -0.299 0.000 2.456 662 L HA -0.013 4.327 4.340 -0.001 0.000 0.224 662 L C 1.964 178.791 176.870 -0.071 0.000 1.148 662 L CA 0.776 55.550 54.840 -0.110 0.000 0.825 662 L CB 0.065 42.056 42.059 -0.113 0.000 0.937 662 L HN -0.039 nan 8.230 nan 0.000 0.450 663 R N -0.034 120.384 120.500 -0.136 0.000 2.193 663 R HA -0.047 4.292 4.340 -0.001 0.000 0.213 663 R C 1.879 178.158 176.300 -0.034 0.000 1.055 663 R CA 0.743 56.806 56.100 -0.060 0.000 0.995 663 R CB -0.192 30.093 30.300 -0.025 0.000 0.893 663 R HN 0.394 nan 8.270 nan 0.000 0.459 664 K N -0.907 119.437 120.400 -0.092 0.000 2.362 664 K HA -0.037 4.283 4.320 -0.001 0.000 0.200 664 K C 1.692 178.310 176.600 0.030 0.000 1.046 664 K CA 0.904 57.166 56.287 -0.043 0.000 0.952 664 K CB 0.148 32.580 32.500 -0.114 0.000 0.753 664 K HN 0.124 nan 8.250 nan 0.000 0.466 665 c N -1.014 117.617 118.600 0.052 0.000 2.563 665 c HA 0.149 4.719 4.570 -0.001 0.000 0.346 665 c C 1.125 175.263 174.090 0.080 0.000 1.334 665 c CA -0.271 56.111 56.329 0.087 0.000 1.938 665 c CB 0.341 42.941 42.510 0.150 0.000 2.445 665 c HN 0.120 nan 8.230 nan 0.000 0.541 666 S N 1.915 117.661 115.700 0.078 0.000 2.460 666 S HA 0.169 4.639 4.470 -0.001 0.000 0.211 666 S C 0.360 174.983 174.600 0.038 0.000 1.312 666 S CA -0.178 58.060 58.200 0.064 0.000 1.256 666 S CB -0.302 62.943 63.200 0.074 0.000 1.086 666 S HN 0.746 nan 8.310 nan 0.000 0.507 667 T N 1.196 115.772 114.554 0.037 0.000 2.848 667 T HA 0.134 4.483 4.350 -0.001 0.000 0.340 667 T C 0.391 175.114 174.700 0.037 0.000 1.091 667 T CA -0.365 61.755 62.100 0.034 0.000 1.123 667 T CB 0.314 69.201 68.868 0.032 0.000 1.042 667 T HN 0.442 nan 8.240 nan 0.000 0.544 668 S N 0.237 115.963 115.700 0.043 0.000 2.707 668 S HA 0.454 4.923 4.470 -0.001 0.000 0.303 668 S C 1.049 175.676 174.600 0.045 0.000 1.132 668 S CA -0.620 57.613 58.200 0.056 0.000 1.046 668 S CB 1.867 65.114 63.200 0.079 0.000 1.004 668 S HN 0.627 nan 8.310 nan 0.000 0.483 669 S N 2.670 118.391 115.700 0.034 0.000 2.381 669 S HA -0.199 4.270 4.470 -0.001 0.000 0.230 669 S C 1.698 176.307 174.600 0.015 0.000 1.052 669 S CA 1.873 60.081 58.200 0.014 0.000 1.068 669 S CB -0.714 62.489 63.200 0.005 0.000 0.918 669 S HN 0.758 nan 8.310 nan 0.000 0.448 670 L N 1.417 122.659 121.223 0.030 0.000 2.083 670 L HA 0.039 4.379 4.340 -0.001 0.000 0.209 670 L C 2.071 178.954 176.870 0.023 0.000 1.083 670 L CA 1.455 56.311 54.840 0.026 0.000 0.752 670 L CB -0.552 41.530 42.059 0.038 0.000 0.899 670 L HN 0.331 nan 8.230 nan 0.000 0.433 671 L N -0.942 120.300 121.223 0.033 0.000 2.056 671 L HA -0.213 4.126 4.340 -0.001 0.000 0.207 671 L C 2.430 179.317 176.870 0.028 0.000 1.078 671 L CA 1.617 56.467 54.840 0.017 0.000 0.749 671 L CB -0.221 41.863 42.059 0.042 0.000 0.901 671 L HN 0.429 nan 8.230 nan 0.000 0.433 672 E N -0.222 120.001 120.200 0.038 0.000 2.072 672 E HA -0.201 4.148 4.350 -0.001 0.000 0.191 672 E C 2.171 178.820 176.600 0.082 0.000 0.985 672 E CA 1.082 57.516 56.400 0.057 0.000 0.801 672 E CB -0.122 29.596 29.700 0.030 0.000 0.750 672 E HN 0.573 nan 8.360 nan 0.000 0.452 673 A N 0.969 123.813 122.820 0.039 0.000 1.877 673 A HA -0.206 4.113 4.320 -0.001 0.000 0.216 673 A C 2.445 180.098 177.584 0.115 0.000 1.186 673 A CA 1.399 53.464 52.037 0.047 0.000 0.620 673 A CB -0.869 18.137 19.000 0.009 0.000 0.822 673 A HN 0.373 nan 8.150 nan 0.000 0.443 674 c N -1.207 117.432 118.600 0.064 0.000 2.457 674 c HA -0.027 4.542 4.570 -0.001 0.000 0.278 674 c C 2.975 177.104 174.090 0.065 0.000 1.309 674 c CA 1.311 57.667 56.329 0.045 0.000 1.735 674 c CB -1.492 41.006 42.510 -0.019 0.000 1.992 674 c HN 0.636 nan 8.230 nan 0.000 0.493 675 T N 0.927 115.526 114.554 0.076 0.000 2.788 675 T HA -0.165 4.185 4.350 -0.001 0.000 0.268 675 T C 1.484 176.277 174.700 0.155 0.000 1.044 675 T CA 1.334 63.481 62.100 0.079 0.000 1.139 675 T CB -0.448 68.461 68.868 0.068 0.000 0.867 675 T HN 0.549 nan 8.240 nan 0.000 0.454 676 F N 1.977 121.961 119.950 0.056 0.000 2.250 676 F HA -0.044 4.482 4.527 -0.001 0.000 0.301 676 F C 2.166 178.068 175.800 0.170 0.000 1.077 676 F CA 1.103 59.174 58.000 0.119 0.000 1.348 676 F CB -0.042 39.043 39.000 0.141 0.000 1.040 676 F HN -0.045 nan 8.300 nan 0.000 0.509 677 R N -0.450 120.219 120.500 0.281 0.000 2.300 677 R HA 0.172 4.511 4.340 -0.001 0.000 0.199 677 R C 0.079 176.301 176.300 -0.130 0.000 0.920 677 R CA 0.121 56.204 56.100 -0.028 0.000 1.046 677 R CB 0.269 30.487 30.300 -0.136 0.000 0.984 677 R HN 0.064 nan 8.270 nan 0.000 0.493 678 R N 0.860 121.345 120.500 -0.024 0.000 2.983 678 R HA 0.189 4.528 4.340 -0.001 0.000 0.290 678 R C -2.960 173.337 176.300 -0.004 0.000 1.327 678 R CA -1.238 54.850 56.100 -0.021 0.000 1.062 678 R CB 1.085 31.371 30.300 -0.023 0.000 1.307 678 R HN -0.106 nan 8.270 nan 0.000 0.389 679 P HA 0.000 nan 4.420 nan 0.000 0.216 679 P CA 0.000 63.101 63.100 0.002 0.000 0.800 679 P CB 0.000 31.697 31.700 -0.006 0.000 0.726