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 1fz5_1_A DATA FIRST_RESID 17 DATA SEQUENCE NRAPTSVNAQ EVHRWLQSFN WDFKNNRTKY ATKYKMANET KEQFKLIAKE DATA SEQUENCE YARMEAVKDE RQFGSLQDAL TRLNAGVRVH PKWNETMKVV SNFLEVGEYN DATA SEQUENCE AIAATGMLWD SAQAAEQKNG YLAQVLDEIR HTHQCAYVNY YFAKNGQDPA DATA SEQUENCE GHNDARRTRT IGPLWKGMKR VFSDGFISGD AVECSLNLQL VGEACFTNPL DATA SEQUENCE IVAVTEWAAA NGDEITPTVF LSIETDELRH MANGYQTVVS IANDPASAKY DATA SEQUENCE LNTDLNNAFW TQQKYFTPVL GMLFEYGSKF KVEPWVKTWD RWVYEDWGGI DATA SEQUENCE WIGRLGKYGV ESPRSLKDAK QDAYWAHHDL YLLAYALWPT GFFRLALPDQ DATA SEQUENCE EEMEWFEANY PGWYDHYGKI YEEWRARGCE DPSSGFIPLM WFIENNHPIY DATA SEQUENCE IDRVSQVPFC PSLAKGASTL RVHEYNGEMH TFSDQWGERM WLAEPERYEC DATA SEQUENCE QNIFEQYEGR ELSEVIAELH GLRSDGKTLI AQPHVRGDKL WTLDDIKRLN DATA SEQUENCE CVFKNPVKAF N 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 17 N HA 0.000 nan 4.740 nan 0.000 0.220 17 N C 0.000 175.514 175.510 0.006 0.000 1.280 17 N CA 0.000 53.053 53.050 0.005 0.000 0.885 17 N CB 0.000 38.491 38.487 0.006 0.000 1.341 18 R N 1.819 122.322 120.500 0.006 0.000 2.997 18 R HA 0.338 4.678 4.340 -0.000 0.000 0.358 18 R C -0.100 176.204 176.300 0.007 0.000 1.191 18 R CA -0.299 55.805 56.100 0.006 0.000 1.113 18 R CB 0.853 31.156 30.300 0.005 0.000 1.433 18 R HN 0.433 nan 8.270 nan 0.000 0.584 19 A N 1.735 124.560 122.820 0.007 0.000 2.425 19 A HA 0.355 4.675 4.320 -0.000 0.000 0.249 19 A C -2.037 175.552 177.584 0.009 0.000 1.084 19 A CA -1.174 50.868 52.037 0.008 0.000 0.781 19 A CB 0.006 19.012 19.000 0.008 0.000 1.019 19 A HN 0.093 nan 8.150 nan 0.000 0.490 20 P HA 0.221 nan 4.420 nan 0.000 0.264 20 P C -0.153 177.154 177.300 0.012 0.000 1.229 20 P CA 0.555 63.661 63.100 0.010 0.000 0.780 20 P CB 0.622 32.327 31.700 0.009 0.000 0.808 21 T N 0.172 114.735 114.554 0.014 0.000 2.901 21 T HA 0.764 5.114 4.350 -0.000 0.000 0.293 21 T C -0.533 174.178 174.700 0.019 0.000 1.084 21 T CA -0.503 61.607 62.100 0.017 0.000 1.008 21 T CB 1.912 70.791 68.868 0.018 0.000 1.170 21 T HN 0.191 nan 8.240 nan 0.000 0.509 22 S N 0.198 115.912 115.700 0.023 0.000 2.973 22 S HA 0.815 5.285 4.470 -0.000 0.000 0.317 22 S C -1.840 172.781 174.600 0.035 0.000 1.196 22 S CA -0.468 57.748 58.200 0.027 0.000 0.894 22 S CB 1.232 64.447 63.200 0.025 0.000 1.292 22 S HN 0.981 nan 8.310 nan 0.000 0.614 23 V N 3.137 123.076 119.914 0.041 0.000 2.686 23 V HA 0.499 4.619 4.120 -0.000 0.000 0.306 23 V C -0.945 175.180 176.094 0.053 0.000 1.065 23 V CA -0.970 61.361 62.300 0.053 0.000 0.894 23 V CB 1.526 33.387 31.823 0.064 0.000 1.004 23 V HN 0.960 nan 8.190 nan 0.000 0.424 24 N N 3.251 121.983 118.700 0.054 0.000 2.485 24 N HA 0.646 5.386 4.740 -0.000 0.000 0.280 24 N C 1.001 176.548 175.510 0.062 0.000 1.205 24 N CA -0.168 52.911 53.050 0.049 0.000 0.959 24 N CB 1.461 39.969 38.487 0.035 0.000 1.206 24 N HN 0.616 nan 8.380 nan 0.000 0.545 25 A N -0.053 122.801 122.820 0.057 0.000 1.917 25 A HA -0.322 3.998 4.320 -0.000 0.000 0.219 25 A C 1.982 179.616 177.584 0.084 0.000 1.182 25 A CA 2.188 54.268 52.037 0.072 0.000 0.633 25 A CB -1.239 17.797 19.000 0.061 0.000 0.819 25 A HN 0.905 nan 8.150 nan 0.000 0.448 26 Q N -0.604 119.223 119.800 0.046 0.000 2.224 26 Q HA -0.162 4.178 4.340 -0.000 0.000 0.203 26 Q C 1.564 177.608 176.000 0.073 0.000 0.970 26 Q CA 1.629 57.450 55.803 0.029 0.000 0.865 26 Q CB -0.323 28.398 28.738 -0.028 0.000 0.922 26 Q HN 0.745 nan 8.270 nan 0.000 0.445 27 E N 0.207 120.458 120.200 0.084 0.000 2.204 27 E HA -0.097 4.253 4.350 -0.000 0.000 0.194 27 E C 1.867 178.582 176.600 0.191 0.000 0.989 27 E CA 1.160 57.630 56.400 0.117 0.000 0.824 27 E CB 0.327 30.091 29.700 0.107 0.000 0.756 27 E HN 0.234 nan 8.360 nan 0.000 0.477 28 V N 0.412 120.434 119.914 0.179 0.000 2.599 28 V HA -0.165 3.955 4.120 -0.000 0.000 0.245 28 V C 2.223 178.421 176.094 0.174 0.000 1.046 28 V CA 1.200 63.631 62.300 0.218 0.000 1.065 28 V CB -0.383 31.541 31.823 0.167 0.000 0.703 28 V HN 0.402 nan 8.190 nan 0.000 0.464 29 H N 0.992 120.067 119.070 0.009 0.000 2.422 29 H HA -0.157 4.399 4.556 -0.000 0.000 0.298 29 H C 2.461 177.721 175.328 -0.113 0.000 1.098 29 H CA 1.533 57.533 56.048 -0.080 0.000 1.315 29 H CB -0.005 29.714 29.762 -0.071 0.000 1.382 29 H HN 0.190 nan 8.280 nan 0.000 0.523 30 R N 0.109 120.625 120.500 0.026 0.000 2.154 30 R HA -0.202 4.138 4.340 -0.000 0.000 0.248 30 R C 1.093 177.113 176.300 -0.467 0.000 1.155 30 R CA 1.837 57.796 56.100 -0.235 0.000 0.979 30 R CB -0.451 29.637 30.300 -0.353 0.000 0.869 30 R HN 0.389 nan 8.270 nan 0.000 0.452 31 W N -0.385 120.904 121.300 -0.019 0.000 3.239 31 W HA 0.192 4.852 4.660 0.000 0.000 0.348 31 W C 1.576 178.050 176.519 -0.075 0.000 1.183 31 W CA -0.627 56.738 57.345 0.032 0.000 1.819 31 W CB -0.111 29.443 29.460 0.156 0.000 1.091 31 W HN 0.041 nan 8.180 nan 0.000 0.629 32 L N 0.931 121.965 121.223 -0.315 0.000 2.083 32 L HA -0.241 4.099 4.340 -0.000 0.000 0.209 32 L C 2.679 179.303 176.870 -0.410 0.000 1.083 32 L CA 1.746 56.072 54.840 -0.855 0.000 0.752 32 L CB -0.223 41.261 42.059 -0.959 0.000 0.899 32 L HN -0.030 nan 8.230 nan 0.000 0.433 33 Q N -0.191 119.478 119.800 -0.219 0.000 2.234 33 Q HA -0.198 4.142 4.340 -0.000 0.000 0.206 33 Q C 2.182 178.242 176.000 0.100 0.000 0.980 33 Q CA 1.865 57.626 55.803 -0.070 0.000 0.869 33 Q CB -0.274 28.421 28.738 -0.073 0.000 0.912 33 Q HN 0.696 nan 8.270 nan 0.000 0.436 34 S N -1.360 114.479 115.700 0.231 0.000 2.562 34 S HA -0.001 4.469 4.470 -0.000 0.000 0.221 34 S C 1.391 176.263 174.600 0.455 0.000 0.975 34 S CA -0.009 58.393 58.200 0.338 0.000 0.918 34 S CB -0.432 63.015 63.200 0.411 0.000 0.772 34 S HN 0.292 nan 8.310 nan 0.000 0.531 35 F N 2.688 122.733 119.950 0.159 0.000 2.161 35 F HA 0.163 4.690 4.527 -0.000 0.000 0.300 35 F C 1.405 177.385 175.800 0.300 0.000 1.089 35 F CA 0.049 58.168 58.000 0.198 0.000 1.282 35 F CB -1.175 37.909 39.000 0.140 0.000 1.010 35 F HN 0.288 nan 8.300 nan 0.000 0.485 36 N N -0.039 118.901 118.700 0.400 0.000 2.514 36 N HA 0.180 4.920 4.740 -0.000 0.000 0.277 36 N C -0.751 174.955 175.510 0.326 0.000 1.126 36 N CA -0.401 52.804 53.050 0.259 0.000 0.978 36 N CB 0.436 38.976 38.487 0.090 0.000 1.106 36 N HN 0.169 nan 8.380 nan 0.000 0.461 37 W N 1.834 123.236 121.300 0.170 0.000 2.850 37 W HA 0.601 5.261 4.660 0.000 0.000 0.349 37 W C -1.047 175.567 176.519 0.158 0.000 1.133 37 W CA -0.883 56.558 57.345 0.161 0.000 1.117 37 W CB 0.643 30.207 29.460 0.172 0.000 1.442 37 W HN 0.190 nan 8.180 nan 0.000 0.575 38 D N 1.576 122.147 120.400 0.286 0.000 2.225 38 D HA 0.522 5.162 4.640 -0.000 0.000 0.249 38 D C -0.755 175.725 176.300 0.300 0.000 1.052 38 D CA 0.131 54.181 54.000 0.083 0.000 0.909 38 D CB 1.448 42.294 40.800 0.076 0.000 1.186 38 D HN 0.468 nan 8.370 nan 0.000 0.431 39 F N -1.967 117.997 119.950 0.023 0.000 2.725 39 F HA 0.280 4.807 4.527 -0.000 0.000 0.311 39 F C 0.873 176.679 175.800 0.011 0.000 1.121 39 F CA -1.140 56.895 58.000 0.059 0.000 0.978 39 F CB 0.867 39.938 39.000 0.119 0.000 1.274 39 F HN 0.160 nan 8.300 nan 0.000 0.440 40 K N 1.182 121.719 120.400 0.229 0.000 2.007 40 K HA -0.298 4.022 4.320 -0.000 0.000 0.231 40 K C 0.719 177.340 176.600 0.035 0.000 1.044 40 K CA 2.815 59.171 56.287 0.116 0.000 0.996 40 K CB -0.447 32.142 32.500 0.149 0.000 0.738 40 K HN 0.872 nan 8.250 nan 0.000 0.447 41 N N 1.079 119.881 118.700 0.169 0.000 2.413 41 N HA -0.055 4.685 4.740 -0.000 0.000 0.207 41 N C -0.285 175.163 175.510 -0.104 0.000 1.206 41 N CA -0.348 52.750 53.050 0.081 0.000 0.832 41 N CB -0.041 38.549 38.487 0.171 0.000 1.037 41 N HN 0.165 nan 8.380 nan 0.000 0.467 42 N N 2.352 120.663 118.700 -0.649 0.000 2.605 42 N HA 0.054 4.794 4.740 -0.000 0.000 0.258 42 N C -0.790 174.470 175.510 -0.417 0.000 1.156 42 N CA -0.042 52.449 53.050 -0.933 0.000 1.008 42 N CB -0.022 37.428 38.487 -1.728 0.000 1.354 42 N HN 0.287 nan 8.380 nan 0.000 0.509 43 R N -0.602 119.766 120.500 -0.220 0.000 2.716 43 R HA 0.472 4.812 4.340 -0.000 0.000 0.271 43 R C -0.705 175.553 176.300 -0.070 0.000 1.028 43 R CA -0.843 55.182 56.100 -0.124 0.000 0.883 43 R CB -0.676 29.567 30.300 -0.094 0.000 1.250 43 R HN -0.049 nan 8.270 nan 0.000 0.465 44 T N 1.231 115.767 114.554 -0.031 0.000 2.932 44 T HA 0.117 4.467 4.350 -0.000 0.000 0.312 44 T C 0.467 175.154 174.700 -0.023 0.000 1.071 44 T CA -0.248 61.858 62.100 0.010 0.000 1.128 44 T CB 0.421 69.324 68.868 0.058 0.000 0.984 44 T HN 0.508 nan 8.240 nan 0.000 0.549 45 K N 0.720 121.093 120.400 -0.045 0.000 2.404 45 K HA 0.109 4.429 4.320 -0.000 0.000 0.194 45 K C -0.411 175.940 176.600 -0.415 0.000 1.023 45 K CA 0.376 56.523 56.287 -0.233 0.000 1.094 45 K CB 0.279 32.579 32.500 -0.334 0.000 0.841 45 K HN 0.538 nan 8.250 nan 0.000 0.523 46 Y N 0.588 120.853 120.300 -0.058 0.000 2.420 46 Y HA 0.404 4.954 4.550 -0.000 0.000 0.334 46 Y C 0.308 176.186 175.900 -0.036 0.000 1.094 46 Y CA -1.452 56.617 58.100 -0.051 0.000 1.126 46 Y CB 1.168 39.592 38.460 -0.060 0.000 1.217 46 Y HN -0.103 nan 8.280 nan 0.000 0.462 47 A N 1.708 124.586 122.820 0.097 0.000 2.462 47 A HA 0.505 4.825 4.320 -0.000 0.000 0.243 47 A C 0.165 177.791 177.584 0.069 0.000 1.076 47 A CA 0.497 52.562 52.037 0.046 0.000 0.773 47 A CB 0.077 19.086 19.000 0.015 0.000 1.010 47 A HN 0.695 nan 8.150 nan 0.000 0.493 48 T N 0.851 115.431 114.554 0.044 0.000 3.225 48 T HA 0.317 4.667 4.350 -0.000 0.000 0.356 48 T C 0.250 174.959 174.700 0.014 0.000 1.460 48 T CA -0.590 61.557 62.100 0.079 0.000 1.126 48 T CB 0.751 69.704 68.868 0.141 0.000 1.321 48 T HN 0.641 nan 8.240 nan 0.000 0.478 49 K N 2.119 122.471 120.400 -0.080 0.000 2.418 49 K HA 0.128 4.448 4.320 -0.000 0.000 0.195 49 K C -0.151 176.281 176.600 -0.279 0.000 1.035 49 K CA 0.646 56.746 56.287 -0.311 0.000 1.003 49 K CB 0.120 32.166 32.500 -0.756 0.000 0.793 49 K HN 0.494 nan 8.250 nan 0.000 0.494 50 Y N 1.029 121.362 120.300 0.056 0.000 2.458 50 Y HA 0.291 4.841 4.550 -0.000 0.000 0.322 50 Y C 0.147 176.076 175.900 0.048 0.000 1.259 50 Y CA -0.879 57.264 58.100 0.073 0.000 1.302 50 Y CB 0.818 39.319 38.460 0.067 0.000 1.314 50 Y HN -0.316 nan 8.280 nan 0.000 0.509 51 K N 2.107 122.639 120.400 0.220 0.000 2.572 51 K HA 0.396 4.716 4.320 -0.000 0.000 0.244 51 K C -1.397 175.267 176.600 0.107 0.000 0.965 51 K CA -0.321 56.040 56.287 0.122 0.000 0.943 51 K CB 0.465 33.013 32.500 0.080 0.000 1.154 51 K HN 0.697 nan 8.250 nan 0.000 0.447 52 M N 3.300 122.955 119.600 0.091 0.000 2.251 52 M HA 0.149 4.629 4.480 -0.000 0.000 0.346 52 M C 0.340 176.663 176.300 0.039 0.000 1.499 52 M CA -0.195 55.143 55.300 0.063 0.000 1.128 52 M CB 0.948 33.592 32.600 0.073 0.000 1.809 52 M HN 0.622 nan 8.290 nan 0.000 0.464 53 A N 3.527 126.364 122.820 0.027 0.000 2.566 53 A HA -0.025 4.295 4.320 -0.000 0.000 0.245 53 A C 0.794 178.382 177.584 0.008 0.000 1.056 53 A CA -0.124 51.923 52.037 0.016 0.000 0.757 53 A CB -0.249 18.758 19.000 0.012 0.000 0.979 53 A HN 0.921 nan 8.150 nan 0.000 0.508 54 N N 1.235 119.937 118.700 0.004 0.000 2.416 54 N HA 0.005 4.745 4.740 -0.000 0.000 0.215 54 N C 0.194 175.703 175.510 -0.002 0.000 1.208 54 N CA 0.593 53.642 53.050 -0.002 0.000 0.834 54 N CB 0.114 38.593 38.487 -0.013 0.000 1.072 54 N HN 0.770 nan 8.380 nan 0.000 0.472 55 E N -1.294 118.905 120.200 -0.003 0.000 2.715 55 E HA 0.088 4.438 4.350 -0.000 0.000 0.224 55 E C -0.528 176.063 176.600 -0.015 0.000 0.962 55 E CA -0.211 56.186 56.400 -0.005 0.000 1.145 55 E CB 0.541 30.241 29.700 0.001 0.000 1.083 55 E HN 0.211 nan 8.360 nan 0.000 0.506 56 T N 2.283 116.825 114.554 -0.020 0.000 2.946 56 T HA 0.061 4.411 4.350 -0.000 0.000 0.311 56 T C 0.176 174.850 174.700 -0.043 0.000 1.063 56 T CA 0.653 62.733 62.100 -0.033 0.000 1.139 56 T CB 0.732 69.573 68.868 -0.046 0.000 0.994 56 T HN -0.032 nan 8.240 nan 0.000 0.547 57 K N 1.963 122.339 120.400 -0.040 0.000 2.221 57 K HA 0.394 4.714 4.320 -0.000 0.000 0.243 57 K C 0.165 176.739 176.600 -0.043 0.000 0.968 57 K CA -0.934 55.331 56.287 -0.037 0.000 0.846 57 K CB 1.636 34.118 32.500 -0.028 0.000 1.141 57 K HN 0.746 nan 8.250 nan 0.000 0.434 58 E N 0.677 120.865 120.200 -0.020 0.000 2.222 58 E HA 0.088 4.438 4.350 -0.000 0.000 0.272 58 E C 0.338 176.906 176.600 -0.054 0.000 0.982 58 E CA -0.650 55.739 56.400 -0.019 0.000 0.842 58 E CB 1.727 31.440 29.700 0.022 0.000 1.144 58 E HN 0.557 nan 8.360 nan 0.000 0.397 59 Q N 1.220 120.968 119.800 -0.086 0.000 2.123 59 Q HA 0.012 4.352 4.340 -0.000 0.000 0.199 59 Q C -0.524 175.142 176.000 -0.556 0.000 0.966 59 Q CA 0.835 56.431 55.803 -0.345 0.000 0.845 59 Q CB 0.123 28.569 28.738 -0.486 0.000 0.907 59 Q HN 0.563 nan 8.270 nan 0.000 0.439 60 F N 1.124 121.000 119.950 -0.123 0.000 2.411 60 F HA 0.356 4.883 4.527 -0.000 0.000 0.352 60 F C -0.281 175.337 175.800 -0.304 0.000 1.123 60 F CA -0.900 57.003 58.000 -0.162 0.000 1.044 60 F CB 1.359 40.307 39.000 -0.087 0.000 1.135 60 F HN -0.283 nan 8.300 nan 0.000 0.461 61 K N 5.380 125.560 120.400 -0.367 0.000 2.121 61 K HA 0.318 4.638 4.320 -0.000 0.000 0.235 61 K C -0.614 175.814 176.600 -0.287 0.000 1.200 61 K CA 0.102 55.829 56.287 -0.933 0.000 1.115 61 K CB -0.020 32.023 32.500 -0.761 0.000 1.474 61 K HN 0.580 nan 8.250 nan 0.000 0.295 62 L N 3.001 124.208 121.223 -0.026 0.000 2.334 62 L HA 0.632 4.972 4.340 -0.000 0.000 0.270 62 L C 0.183 177.136 176.870 0.138 0.000 1.018 62 L CA -1.341 53.553 54.840 0.089 0.000 0.811 62 L CB 1.225 43.345 42.059 0.102 0.000 1.271 62 L HN 0.396 nan 8.230 nan 0.000 0.443 63 I N -2.024 118.608 120.570 0.104 0.000 3.042 63 I HA 0.597 4.767 4.170 -0.000 0.000 0.310 63 I C 0.837 177.007 176.117 0.088 0.000 1.117 63 I CA -0.862 60.483 61.300 0.075 0.000 1.003 63 I CB 2.036 40.084 38.000 0.080 0.000 1.228 63 I HN 0.630 nan 8.210 nan 0.000 0.443 64 A N 2.780 125.636 122.820 0.061 0.000 1.884 64 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 64 A C 2.117 179.784 177.584 0.139 0.000 1.197 64 A CA 1.778 53.867 52.037 0.087 0.000 0.637 64 A CB -0.680 18.349 19.000 0.049 0.000 0.827 64 A HN 0.825 nan 8.150 nan 0.000 0.450 65 K N -0.596 119.863 120.400 0.099 0.000 2.020 65 K HA -0.207 4.113 4.320 -0.000 0.000 0.212 65 K C 2.005 178.649 176.600 0.073 0.000 1.050 65 K CA 1.882 58.218 56.287 0.081 0.000 0.929 65 K CB -0.510 32.029 32.500 0.064 0.000 0.714 65 K HN 0.614 nan 8.250 nan 0.000 0.443 66 E N 0.367 120.612 120.200 0.076 0.000 2.110 66 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 66 E C 2.006 178.630 176.600 0.040 0.000 0.988 66 E CA 1.100 57.531 56.400 0.051 0.000 0.804 66 E CB -0.430 29.303 29.700 0.055 0.000 0.745 66 E HN 0.351 nan 8.360 nan 0.000 0.458 67 Y N 0.420 120.713 120.300 -0.012 0.000 2.128 67 Y HA -0.194 4.356 4.550 -0.000 0.000 0.284 67 Y C 2.119 178.006 175.900 -0.021 0.000 1.154 67 Y CA 2.268 60.350 58.100 -0.029 0.000 1.149 67 Y CB -0.842 37.595 38.460 -0.038 0.000 0.976 67 Y HN 0.093 nan 8.280 nan 0.000 0.505 68 A N 0.956 123.742 122.820 -0.057 0.000 1.940 68 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 68 A C 2.448 179.941 177.584 -0.151 0.000 1.176 68 A CA 1.862 53.830 52.037 -0.116 0.000 0.631 68 A CB -0.868 18.166 19.000 0.057 0.000 0.814 68 A HN 0.582 nan 8.150 nan 0.000 0.446 69 R N -0.083 120.362 120.500 -0.092 0.000 2.066 69 R HA -0.136 4.204 4.340 -0.000 0.000 0.232 69 R C 2.333 178.567 176.300 -0.109 0.000 1.131 69 R CA 1.847 57.904 56.100 -0.073 0.000 0.955 69 R CB -0.383 29.897 30.300 -0.034 0.000 0.851 69 R HN 0.747 nan 8.270 nan 0.000 0.432 70 M N -0.679 118.831 119.600 -0.149 0.000 2.374 70 M HA -0.003 4.477 4.480 -0.000 0.000 0.264 70 M C 0.985 177.166 176.300 -0.199 0.000 1.067 70 M CA 1.444 56.654 55.300 -0.152 0.000 1.103 70 M CB -0.045 32.472 32.600 -0.138 0.000 1.402 70 M HN -0.092 nan 8.290 nan 0.000 0.444 71 E N 1.478 121.494 120.200 -0.306 0.000 2.122 71 E HA 0.105 4.455 4.350 -0.000 0.000 0.190 71 E C 2.372 178.886 176.600 -0.143 0.000 0.977 71 E CA 1.358 57.590 56.400 -0.279 0.000 0.820 71 E CB -0.291 29.131 29.700 -0.464 0.000 0.770 71 E HN 0.641 nan 8.360 nan 0.000 0.462 72 A N 1.050 123.801 122.820 -0.115 0.000 1.969 72 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 72 A C 2.526 180.091 177.584 -0.030 0.000 1.169 72 A CA 1.098 53.110 52.037 -0.042 0.000 0.635 72 A CB -0.523 18.459 19.000 -0.030 0.000 0.810 72 A HN 0.117 nan 8.150 nan 0.000 0.445 73 V N 0.155 120.037 119.914 -0.053 0.000 2.343 73 V HA -0.271 3.849 4.120 -0.000 0.000 0.247 73 V C 2.415 178.480 176.094 -0.048 0.000 1.051 73 V CA 2.353 64.628 62.300 -0.042 0.000 1.036 73 V CB -0.628 31.167 31.823 -0.048 0.000 0.654 73 V HN 0.561 nan 8.190 nan 0.000 0.451 74 K N -0.280 120.079 120.400 -0.069 0.000 2.097 74 K HA -0.169 4.151 4.320 -0.000 0.000 0.205 74 K C 1.900 178.440 176.600 -0.100 0.000 1.050 74 K CA 1.590 57.827 56.287 -0.083 0.000 0.938 74 K CB -0.281 32.163 32.500 -0.093 0.000 0.718 74 K HN 0.425 nan 8.250 nan 0.000 0.442 75 D N 1.053 121.414 120.400 -0.066 0.000 2.097 75 D HA -0.150 4.490 4.640 -0.000 0.000 0.195 75 D C 1.734 178.050 176.300 0.026 0.000 0.989 75 D CA 1.031 55.007 54.000 -0.040 0.000 0.827 75 D CB -0.141 40.759 40.800 0.165 0.000 0.966 75 D HN 0.218 nan 8.370 nan 0.000 0.456 76 E N 0.444 120.674 120.200 0.049 0.000 2.068 76 E HA -0.249 4.101 4.350 -0.000 0.000 0.207 76 E C 2.250 178.863 176.600 0.021 0.000 1.032 76 E CA 1.224 57.656 56.400 0.055 0.000 0.839 76 E CB 0.021 29.734 29.700 0.021 0.000 0.758 76 E HN 0.236 nan 8.360 nan 0.000 0.457 77 R N 0.329 120.812 120.500 -0.029 0.000 2.082 77 R HA -0.202 4.138 4.340 -0.000 0.000 0.234 77 R C 2.583 178.830 176.300 -0.090 0.000 1.136 77 R CA 1.638 57.709 56.100 -0.048 0.000 0.935 77 R CB -0.585 29.680 30.300 -0.059 0.000 0.842 77 R HN 0.322 nan 8.270 nan 0.000 0.430 78 Q N 0.280 119.968 119.800 -0.187 0.000 1.998 78 Q HA -0.215 4.125 4.340 -0.000 0.000 0.209 78 Q C 1.973 177.780 176.000 -0.321 0.000 1.002 78 Q CA 2.081 57.688 55.803 -0.327 0.000 0.858 78 Q CB -0.203 28.196 28.738 -0.565 0.000 0.932 78 Q HN 0.322 nan 8.270 nan 0.000 0.416 79 F N -0.484 119.407 119.950 -0.097 0.000 2.293 79 F HA -0.034 4.493 4.527 -0.000 0.000 0.300 79 F C 2.230 178.012 175.800 -0.031 0.000 1.086 79 F CA 0.488 58.428 58.000 -0.100 0.000 1.375 79 F CB -0.355 38.559 39.000 -0.143 0.000 1.045 79 F HN 0.281 nan 8.300 nan 0.000 0.516 80 G N -0.489 108.379 108.800 0.114 0.000 2.404 80 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.215 80 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.215 80 G C 1.817 176.750 174.900 0.055 0.000 1.174 80 G CA 1.026 46.173 45.100 0.079 0.000 0.780 80 G HN 0.294 nan 8.290 nan 0.000 0.537 81 S N 0.497 116.204 115.700 0.012 0.000 2.368 81 S HA -0.030 4.440 4.470 -0.000 0.000 0.225 81 S C 2.322 176.924 174.600 0.003 0.000 1.030 81 S CA 0.918 59.114 58.200 -0.006 0.000 0.999 81 S CB -0.251 62.921 63.200 -0.046 0.000 0.844 81 S HN 0.300 nan 8.310 nan 0.000 0.459 82 L N 1.109 122.335 121.223 0.006 0.000 2.005 82 L HA -0.140 4.200 4.340 -0.000 0.000 0.207 82 L C 2.660 179.658 176.870 0.213 0.000 1.072 82 L CA 1.308 56.158 54.840 0.017 0.000 0.744 82 L CB -0.534 41.557 42.059 0.054 0.000 0.895 82 L HN 0.326 nan 8.230 nan 0.000 0.433 83 Q N -0.888 119.057 119.800 0.243 0.000 2.297 83 Q HA -0.148 4.192 4.340 -0.000 0.000 0.204 83 Q C 1.002 177.098 176.000 0.159 0.000 0.962 83 Q CA 1.128 57.075 55.803 0.240 0.000 0.879 83 Q CB 0.150 29.012 28.738 0.206 0.000 0.947 83 Q HN 0.494 nan 8.270 nan 0.000 0.462 84 D N -0.418 120.054 120.400 0.119 0.000 2.818 84 D HA 0.135 4.775 4.640 -0.000 0.000 0.250 84 D C 1.563 177.906 176.300 0.072 0.000 1.496 84 D CA 0.824 54.874 54.000 0.083 0.000 1.192 84 D CB -0.211 40.626 40.800 0.062 0.000 0.963 84 D HN -0.018 nan 8.370 nan 0.000 0.259 85 A N 0.433 123.284 122.820 0.051 0.000 1.917 85 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 85 A C 2.449 180.062 177.584 0.047 0.000 1.182 85 A CA 1.438 53.499 52.037 0.040 0.000 0.633 85 A CB -1.165 17.848 19.000 0.023 0.000 0.819 85 A HN 0.439 nan 8.150 nan 0.000 0.448 86 L N -1.073 120.178 121.223 0.047 0.000 2.141 86 L HA -0.133 4.207 4.340 -0.000 0.000 0.209 86 L C 2.678 179.622 176.870 0.122 0.000 1.094 86 L CA 1.645 56.515 54.840 0.049 0.000 0.763 86 L CB -0.716 41.326 42.059 -0.027 0.000 0.908 86 L HN 0.350 nan 8.230 nan 0.000 0.437 87 T N -1.130 113.522 114.554 0.163 0.000 2.896 87 T HA -0.141 4.209 4.350 -0.000 0.000 0.263 87 T C 2.034 176.794 174.700 0.100 0.000 1.050 87 T CA 0.803 63.010 62.100 0.178 0.000 1.140 87 T CB -0.077 68.897 68.868 0.177 0.000 0.877 87 T HN 0.231 nan 8.240 nan 0.000 0.457 88 R N 0.605 121.152 120.500 0.078 0.000 2.115 88 R HA 0.077 4.417 4.340 -0.000 0.000 0.230 88 R C 1.903 178.234 176.300 0.050 0.000 1.111 88 R CA 0.964 57.096 56.100 0.054 0.000 0.976 88 R CB -0.236 30.090 30.300 0.044 0.000 0.870 88 R HN 0.363 nan 8.270 nan 0.000 0.445 89 L N 0.153 121.410 121.223 0.057 0.000 2.554 89 L HA 0.050 4.390 4.340 -0.000 0.000 0.226 89 L C 0.528 177.437 176.870 0.064 0.000 1.137 89 L CA 0.334 55.204 54.840 0.051 0.000 0.863 89 L CB -0.349 41.737 42.059 0.045 0.000 0.985 89 L HN 0.417 nan 8.230 nan 0.000 0.451 90 N N -0.509 118.238 118.700 0.079 0.000 2.754 90 N HA -0.233 4.507 4.740 -0.000 0.000 0.248 90 N C 1.044 176.625 175.510 0.117 0.000 1.093 90 N CA 0.183 53.286 53.050 0.088 0.000 0.699 90 N CB -0.170 38.355 38.487 0.065 0.000 1.016 90 N HN 0.421 nan 8.380 nan 0.000 0.552 91 A N -0.398 122.501 122.820 0.132 0.000 2.070 91 A HA 0.008 4.328 4.320 -0.000 0.000 0.220 91 A C 2.167 179.879 177.584 0.212 0.000 1.159 91 A CA 1.847 53.968 52.037 0.139 0.000 0.656 91 A CB -0.474 18.575 19.000 0.082 0.000 0.800 91 A HN 0.614 nan 8.150 nan 0.000 0.453 92 G N -1.243 107.710 108.800 0.256 0.000 2.484 92 G HA2 0.071 4.031 3.960 -0.000 0.000 0.218 92 G HA3 0.071 4.031 3.960 -0.000 0.000 0.218 92 G C 1.278 176.374 174.900 0.327 0.000 1.130 92 G CA 1.213 46.487 45.100 0.291 0.000 0.784 92 G HN 0.329 nan 8.290 nan 0.000 0.543 93 V N 0.100 120.142 119.914 0.214 0.000 2.690 93 V HA 0.101 4.221 4.120 -0.000 0.000 0.240 93 V C 1.825 178.016 176.094 0.163 0.000 1.078 93 V CA 0.332 62.734 62.300 0.171 0.000 1.102 93 V CB -0.159 31.725 31.823 0.102 0.000 0.800 93 V HN 0.193 nan 8.190 nan 0.000 0.479 94 R N 0.759 121.348 120.500 0.148 0.000 4.806 94 R HA 0.171 4.511 4.340 -0.000 0.000 0.194 94 R C -0.656 175.740 176.300 0.160 0.000 2.211 94 R CA -0.016 56.160 56.100 0.126 0.000 1.801 94 R CB -0.523 29.837 30.300 0.099 0.000 1.251 94 R HN 0.265 nan 8.270 nan 0.000 0.747 95 V N 0.150 120.181 119.914 0.195 0.000 2.715 95 V HA 0.099 4.219 4.120 -0.000 0.000 0.310 95 V C 0.355 176.572 176.094 0.205 0.000 1.054 95 V CA -1.094 61.353 62.300 0.244 0.000 0.928 95 V CB 1.988 34.013 31.823 0.336 0.000 1.007 95 V HN 0.399 nan 8.190 nan 0.000 0.437 96 H N 5.113 124.288 119.070 0.175 0.000 2.886 96 H HA 0.104 4.660 4.556 -0.000 0.000 0.329 96 H C -1.834 173.571 175.328 0.128 0.000 1.044 96 H CA -1.179 54.946 56.048 0.129 0.000 1.456 96 H CB 1.905 31.721 29.762 0.091 0.000 1.464 96 H HN 0.350 nan 8.280 nan 0.000 0.573 97 P HA -0.224 nan 4.420 nan 0.000 0.217 97 P C 1.219 178.623 177.300 0.174 0.000 1.158 97 P CA 2.191 65.319 63.100 0.047 0.000 0.887 97 P CB 0.279 31.944 31.700 -0.058 0.000 0.792 98 K N -1.786 118.841 120.400 0.378 0.000 2.063 98 K HA -0.183 4.137 4.320 -0.000 0.000 0.208 98 K C 2.204 178.890 176.600 0.143 0.000 1.048 98 K CA 1.395 57.810 56.287 0.213 0.000 0.928 98 K CB -0.678 31.919 32.500 0.162 0.000 0.713 98 K HN 0.303 nan 8.250 nan 0.000 0.442 99 W N 2.687 124.022 121.300 0.058 0.000 2.436 99 W HA -0.128 4.532 4.660 -0.000 0.000 0.284 99 W C 1.631 178.095 176.519 -0.091 0.000 1.225 99 W CA 0.964 58.305 57.345 -0.007 0.000 1.271 99 W CB -0.129 29.361 29.460 0.050 0.000 1.114 99 W HN 0.198 nan 8.180 nan 0.000 0.559 100 N N 0.890 119.547 118.700 -0.073 0.000 2.166 100 N HA -0.196 4.544 4.740 -0.000 0.000 0.186 100 N C 1.327 176.665 175.510 -0.286 0.000 1.019 100 N CA 1.448 54.349 53.050 -0.248 0.000 0.856 100 N CB -0.150 38.288 38.487 -0.082 0.000 0.993 100 N HN 0.121 nan 8.380 nan 0.000 0.426 101 E N 0.287 120.346 120.200 -0.234 0.000 2.028 101 E HA -0.060 4.290 4.350 -0.000 0.000 0.190 101 E C 1.979 178.309 176.600 -0.449 0.000 0.984 101 E CA 0.974 57.210 56.400 -0.273 0.000 0.800 101 E CB -0.945 28.676 29.700 -0.132 0.000 0.758 101 E HN 0.358 nan 8.360 nan 0.000 0.448 102 T N 1.888 116.133 114.554 -0.514 0.000 2.685 102 T HA -0.172 4.178 4.350 -0.000 0.000 0.268 102 T C 1.704 175.955 174.700 -0.748 0.000 1.034 102 T CA 1.417 63.096 62.100 -0.702 0.000 1.149 102 T CB -0.111 68.251 68.868 -0.843 0.000 0.860 102 T HN 0.035 nan 8.240 nan 0.000 0.449 103 M N 0.888 120.021 119.600 -0.777 0.000 2.460 103 M HA 0.041 4.521 4.480 -0.000 0.000 0.263 103 M C 1.899 178.098 176.300 -0.169 0.000 1.071 103 M CA 1.081 56.099 55.300 -0.471 0.000 1.096 103 M CB -0.831 31.514 32.600 -0.425 0.000 1.408 103 M HN 0.294 nan 8.290 nan 0.000 0.463 104 K N -0.634 119.563 120.400 -0.337 0.000 2.097 104 K HA -0.056 4.264 4.320 -0.000 0.000 0.205 104 K C 2.007 178.592 176.600 -0.024 0.000 1.050 104 K CA 1.031 57.168 56.287 -0.250 0.000 0.938 104 K CB -0.024 32.230 32.500 -0.411 0.000 0.718 104 K HN 0.166 nan 8.250 nan 0.000 0.442 105 V N 0.618 120.308 119.914 -0.374 0.000 2.331 105 V HA -0.159 3.961 4.120 -0.000 0.000 0.242 105 V C 2.230 178.112 176.094 -0.354 0.000 1.034 105 V CA 1.099 63.051 62.300 -0.580 0.000 1.027 105 V CB -0.193 30.964 31.823 -1.110 0.000 0.667 105 V HN 0.021 nan 8.190 nan 0.000 0.457 106 V N -0.173 119.575 119.914 -0.277 0.000 2.282 106 V HA -0.290 3.830 4.120 -0.000 0.000 0.249 106 V C 2.670 178.911 176.094 0.245 0.000 1.057 106 V CA 2.621 64.901 62.300 -0.033 0.000 1.032 106 V CB -0.683 31.094 31.823 -0.077 0.000 0.645 106 V HN 0.570 nan 8.190 nan 0.000 0.447 107 S N -0.323 115.536 115.700 0.265 0.000 2.371 107 S HA -0.168 4.302 4.470 -0.000 0.000 0.224 107 S C 1.908 176.757 174.600 0.415 0.000 1.029 107 S CA 1.710 60.172 58.200 0.436 0.000 0.978 107 S CB -0.421 63.036 63.200 0.428 0.000 0.833 107 S HN 0.703 nan 8.310 nan 0.000 0.466 108 N N -0.145 118.785 118.700 0.385 0.000 2.216 108 N HA 0.011 4.751 4.740 -0.000 0.000 0.183 108 N C 1.336 177.177 175.510 0.552 0.000 1.017 108 N CA 1.297 54.585 53.050 0.396 0.000 0.861 108 N CB -0.333 38.345 38.487 0.319 0.000 0.986 108 N HN 0.290 nan 8.380 nan 0.000 0.428 109 F N 0.691 120.827 119.950 0.311 0.000 2.186 109 F HA 0.062 4.589 4.527 -0.000 0.000 0.299 109 F C 1.969 178.010 175.800 0.402 0.000 1.090 109 F CA 0.533 58.773 58.000 0.399 0.000 1.307 109 F CB -0.679 38.524 39.000 0.339 0.000 1.019 109 F HN 0.095 nan 8.300 nan 0.000 0.489 110 L N -0.308 121.254 121.223 0.565 0.000 2.093 110 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 110 L C 2.491 179.625 176.870 0.440 0.000 1.085 110 L CA 1.328 56.470 54.840 0.504 0.000 0.755 110 L CB -0.494 41.791 42.059 0.375 0.000 0.904 110 L HN 0.167 nan 8.230 nan 0.000 0.435 111 E N -0.204 120.236 120.200 0.400 0.000 2.070 111 E HA -0.285 4.065 4.350 -0.000 0.000 0.197 111 E C 2.200 179.017 176.600 0.362 0.000 1.004 111 E CA 1.866 58.472 56.400 0.343 0.000 0.805 111 E CB -0.045 29.838 29.700 0.305 0.000 0.744 111 E HN 0.269 nan 8.360 nan 0.000 0.451 112 V N 0.266 120.416 119.914 0.392 0.000 2.667 112 V HA -0.074 4.046 4.120 -0.000 0.000 0.252 112 V C 2.017 178.339 176.094 0.380 0.000 1.065 112 V CA 1.961 64.499 62.300 0.397 0.000 1.083 112 V CB -0.278 31.817 31.823 0.453 0.000 0.692 112 V HN 0.495 nan 8.190 nan 0.000 0.468 113 G N -0.850 108.213 108.800 0.439 0.000 2.394 113 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.215 113 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.215 113 G C 1.419 176.479 174.900 0.267 0.000 1.165 113 G CA 0.614 45.941 45.100 0.378 0.000 0.784 113 G HN 0.516 nan 8.290 nan 0.000 0.535 114 E N -0.050 120.307 120.200 0.262 0.000 2.106 114 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 114 E C 1.988 178.670 176.600 0.136 0.000 0.984 114 E CA 0.600 57.110 56.400 0.184 0.000 0.806 114 E CB -0.409 29.433 29.700 0.237 0.000 0.750 114 E HN 0.598 nan 8.360 nan 0.000 0.458 115 Y N 2.234 122.605 120.300 0.117 0.000 2.114 115 Y HA -0.225 4.325 4.550 -0.000 0.000 0.284 115 Y C 1.883 177.824 175.900 0.068 0.000 1.143 115 Y CA 2.006 60.152 58.100 0.077 0.000 1.135 115 Y CB -0.206 38.313 38.460 0.098 0.000 0.980 115 Y HN 0.016 nan 8.280 nan 0.000 0.499 116 N N 0.043 118.813 118.700 0.117 0.000 2.381 116 N HA -0.100 4.640 4.740 -0.000 0.000 0.182 116 N C 1.586 177.093 175.510 -0.004 0.000 1.025 116 N CA 0.961 54.050 53.050 0.066 0.000 0.888 116 N CB -0.326 38.286 38.487 0.208 0.000 0.965 116 N HN 0.484 nan 8.380 nan 0.000 0.438 117 A N 0.047 122.847 122.820 -0.034 0.000 2.119 117 A HA 0.023 4.343 4.320 -0.000 0.000 0.217 117 A C 1.956 179.376 177.584 -0.273 0.000 1.153 117 A CA 0.565 52.443 52.037 -0.265 0.000 0.692 117 A CB -0.429 18.369 19.000 -0.337 0.000 0.799 117 A HN 0.223 nan 8.150 nan 0.000 0.458 118 I N -0.501 119.911 120.570 -0.264 0.000 2.233 118 I HA -0.207 3.963 4.170 -0.000 0.000 0.243 118 I C 2.930 178.908 176.117 -0.230 0.000 1.093 118 I CA 1.084 62.225 61.300 -0.265 0.000 1.380 118 I CB -0.380 37.401 38.000 -0.365 0.000 1.067 118 I HN 0.321 nan 8.210 nan 0.000 0.413 119 A N 0.836 123.499 122.820 -0.261 0.000 1.930 119 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 119 A C 2.550 180.007 177.584 -0.213 0.000 1.175 119 A CA 1.597 53.513 52.037 -0.202 0.000 0.627 119 A CB -0.768 18.132 19.000 -0.167 0.000 0.815 119 A HN 0.407 nan 8.150 nan 0.000 0.443 120 A N 0.011 122.700 122.820 -0.218 0.000 1.865 120 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 120 A C 2.412 179.801 177.584 -0.325 0.000 1.191 120 A CA 2.667 54.546 52.037 -0.263 0.000 0.623 120 A CB -1.477 17.348 19.000 -0.291 0.000 0.826 120 A HN 0.775 nan 8.150 nan 0.000 0.444 121 T N -2.997 111.375 114.554 -0.304 0.000 3.035 121 T HA 0.144 4.494 4.350 -0.000 0.000 0.268 121 T C 1.708 176.338 174.700 -0.117 0.000 1.109 121 T CA 1.215 63.140 62.100 -0.292 0.000 1.119 121 T CB -0.375 68.357 68.868 -0.228 0.000 0.900 121 T HN 0.413 nan 8.240 nan 0.000 0.503 122 G N 0.997 109.745 108.800 -0.088 0.000 2.421 122 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.217 122 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.217 122 G C 1.462 176.234 174.900 -0.213 0.000 1.143 122 G CA 0.565 45.667 45.100 0.002 0.000 0.784 122 G HN 0.509 nan 8.290 nan 0.000 0.541 123 M N -0.164 119.235 119.600 -0.335 0.000 2.200 123 M HA 0.208 4.688 4.480 -0.000 0.000 0.265 123 M C 2.259 178.325 176.300 -0.390 0.000 1.066 123 M CA 0.984 55.965 55.300 -0.532 0.000 1.127 123 M CB -0.053 32.155 32.600 -0.654 0.000 1.379 123 M HN 0.167 nan 8.290 nan 0.000 0.420 124 L N -0.811 120.166 121.223 -0.410 0.000 2.109 124 L HA -0.183 4.157 4.340 -0.000 0.000 0.207 124 L C 2.326 179.104 176.870 -0.154 0.000 1.086 124 L CA 0.877 55.372 54.840 -0.576 0.000 0.760 124 L CB -0.836 40.381 42.059 -1.404 0.000 0.910 124 L HN 0.601 nan 8.230 nan 0.000 0.437 125 W N 1.526 122.731 121.300 -0.158 0.000 2.363 125 W HA -0.225 4.435 4.660 0.000 0.000 0.296 125 W C 2.081 178.636 176.519 0.060 0.000 1.212 125 W CA 1.501 58.909 57.345 0.104 0.000 1.260 125 W CB -0.557 28.925 29.460 0.037 0.000 1.131 125 W HN 0.220 nan 8.180 nan 0.000 0.530 126 D N -0.535 119.822 120.400 -0.071 0.000 2.149 126 D HA -0.145 4.495 4.640 -0.000 0.000 0.201 126 D C 1.817 178.137 176.300 0.034 0.000 0.972 126 D CA 1.625 55.552 54.000 -0.121 0.000 0.835 126 D CB 0.036 40.767 40.800 -0.114 0.000 0.966 126 D HN 0.146 nan 8.370 nan 0.000 0.476 127 S N 0.447 116.174 115.700 0.046 0.000 2.355 127 S HA 0.033 4.503 4.470 -0.000 0.000 0.222 127 S C 1.184 175.854 174.600 0.117 0.000 1.031 127 S CA 0.596 58.840 58.200 0.072 0.000 0.993 127 S CB -0.208 63.009 63.200 0.028 0.000 0.859 127 S HN 0.477 nan 8.310 nan 0.000 0.453 128 A N 1.539 124.485 122.820 0.209 0.000 2.540 128 A HA 0.154 4.474 4.320 -0.000 0.000 0.239 128 A C 0.981 178.632 177.584 0.112 0.000 1.061 128 A CA 0.014 52.166 52.037 0.193 0.000 0.758 128 A CB 0.201 19.355 19.000 0.256 0.000 0.991 128 A HN 0.260 nan 8.150 nan 0.000 0.502 129 Q N 0.471 120.304 119.800 0.055 0.000 2.378 129 Q HA 0.219 4.559 4.340 -0.000 0.000 0.229 129 Q C 0.781 176.784 176.000 0.004 0.000 0.882 129 Q CA 0.944 56.753 55.803 0.010 0.000 0.936 129 Q CB 0.051 28.778 28.738 -0.017 0.000 1.092 129 Q HN 0.858 nan 8.270 nan 0.000 0.535 130 A N 0.676 123.500 122.820 0.007 0.000 2.366 130 A HA 0.549 4.869 4.320 -0.000 0.000 0.272 130 A C 1.215 178.793 177.584 -0.010 0.000 1.135 130 A CA 0.534 52.567 52.037 -0.007 0.000 0.804 130 A CB 0.608 19.595 19.000 -0.023 0.000 1.064 130 A HN 0.235 nan 8.150 nan 0.000 0.499 131 A N 1.814 124.630 122.820 -0.008 0.000 1.978 131 A HA -0.152 4.168 4.320 -0.000 0.000 0.220 131 A C 1.762 179.284 177.584 -0.105 0.000 1.170 131 A CA 1.978 54.000 52.037 -0.026 0.000 0.636 131 A CB -0.439 18.559 19.000 -0.005 0.000 0.810 131 A HN 0.921 nan 8.150 nan 0.000 0.448 132 E N -1.076 119.053 120.200 -0.118 0.000 2.072 132 E HA -0.215 4.135 4.350 -0.000 0.000 0.190 132 E C 2.256 178.783 176.600 -0.122 0.000 0.982 132 E CA 1.186 57.511 56.400 -0.126 0.000 0.803 132 E CB -0.137 29.514 29.700 -0.081 0.000 0.755 132 E HN 0.822 nan 8.360 nan 0.000 0.453 133 Q N 1.185 120.903 119.800 -0.137 0.000 2.167 133 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 133 Q C 1.807 177.626 176.000 -0.301 0.000 0.970 133 Q CA 1.275 56.924 55.803 -0.256 0.000 0.855 133 Q CB 0.184 28.797 28.738 -0.208 0.000 0.911 133 Q HN 0.063 nan 8.270 nan 0.000 0.438 134 K N 0.184 120.525 120.400 -0.099 0.000 2.026 134 K HA -0.158 4.162 4.320 -0.000 0.000 0.208 134 K C 1.921 178.409 176.600 -0.186 0.000 1.048 134 K CA 1.447 57.738 56.287 0.008 0.000 0.929 134 K CB -0.167 32.387 32.500 0.091 0.000 0.713 134 K HN 0.167 nan 8.250 nan 0.000 0.439 135 N N 0.311 118.885 118.700 -0.210 0.000 2.223 135 N HA -0.121 4.619 4.740 -0.000 0.000 0.185 135 N C 1.697 177.090 175.510 -0.195 0.000 1.016 135 N CA 1.403 54.310 53.050 -0.238 0.000 0.863 135 N CB -0.233 38.147 38.487 -0.178 0.000 0.983 135 N HN 0.255 nan 8.380 nan 0.000 0.429 136 G N -0.978 107.714 108.800 -0.179 0.000 2.414 136 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.215 136 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.215 136 G C 1.284 176.117 174.900 -0.111 0.000 1.188 136 G CA 0.698 45.709 45.100 -0.148 0.000 0.783 136 G HN 0.447 nan 8.290 nan 0.000 0.537 137 Y N -0.190 120.050 120.300 -0.101 0.000 2.224 137 Y HA -0.105 4.445 4.550 0.000 0.000 0.289 137 Y C 2.672 178.455 175.900 -0.196 0.000 1.146 137 Y CA 0.443 58.477 58.100 -0.109 0.000 1.182 137 Y CB -0.158 38.292 38.460 -0.017 0.000 0.983 137 Y HN 0.220 nan 8.280 nan 0.000 0.524 138 L N 0.699 121.809 121.223 -0.188 0.000 2.012 138 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 138 L C 2.428 179.066 176.870 -0.387 0.000 1.073 138 L CA 2.030 56.593 54.840 -0.461 0.000 0.748 138 L CB -0.999 40.611 42.059 -0.749 0.000 0.891 138 L HN 0.127 nan 8.230 nan 0.000 0.431 139 A N -1.161 121.448 122.820 -0.352 0.000 1.978 139 A HA -0.296 4.024 4.320 -0.000 0.000 0.220 139 A C 2.329 179.739 177.584 -0.290 0.000 1.170 139 A CA 1.926 53.697 52.037 -0.443 0.000 0.636 139 A CB -0.665 18.180 19.000 -0.258 0.000 0.810 139 A HN 0.709 nan 8.150 nan 0.000 0.448 140 Q N -0.447 119.255 119.800 -0.162 0.000 2.137 140 Q HA -0.064 4.276 4.340 -0.000 0.000 0.198 140 Q C 1.842 177.723 176.000 -0.199 0.000 0.960 140 Q CA 1.377 57.089 55.803 -0.152 0.000 0.847 140 Q CB -0.147 28.451 28.738 -0.233 0.000 0.915 140 Q HN 0.377 nan 8.270 nan 0.000 0.448 141 V N 1.176 120.985 119.914 -0.174 0.000 2.324 141 V HA -0.288 3.832 4.120 -0.000 0.000 0.250 141 V C 2.299 178.308 176.094 -0.142 0.000 1.060 141 V CA 1.298 63.519 62.300 -0.132 0.000 1.042 141 V CB -0.509 31.292 31.823 -0.035 0.000 0.650 141 V HN 0.463 nan 8.190 nan 0.000 0.450 142 L N -0.511 120.598 121.223 -0.190 0.000 2.131 142 L HA -0.070 4.270 4.340 -0.000 0.000 0.206 142 L C 2.298 179.147 176.870 -0.036 0.000 1.087 142 L CA 1.763 56.524 54.840 -0.133 0.000 0.767 142 L CB -1.260 40.608 42.059 -0.319 0.000 0.917 142 L HN 0.382 nan 8.230 nan 0.000 0.441 143 D N -0.066 120.293 120.400 -0.068 0.000 2.144 143 D HA -0.187 4.453 4.640 -0.000 0.000 0.199 143 D C 2.036 178.069 176.300 -0.445 0.000 0.984 143 D CA 0.905 54.803 54.000 -0.171 0.000 0.834 143 D CB 0.278 41.046 40.800 -0.053 0.000 0.955 143 D HN 0.193 nan 8.370 nan 0.000 0.465 144 E N 0.241 120.285 120.200 -0.260 0.000 2.150 144 E HA -0.016 4.334 4.350 -0.000 0.000 0.193 144 E C 2.184 178.720 176.600 -0.106 0.000 0.985 144 E CA 0.256 56.546 56.400 -0.184 0.000 0.814 144 E CB -0.064 29.523 29.700 -0.187 0.000 0.752 144 E HN 0.326 nan 8.360 nan 0.000 0.466 145 I N -0.074 120.429 120.570 -0.112 0.000 2.286 145 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 145 I C 2.511 178.574 176.117 -0.090 0.000 1.104 145 I CA 0.883 62.108 61.300 -0.125 0.000 1.397 145 I CB -0.202 37.762 38.000 -0.061 0.000 1.072 145 I HN 0.059 nan 8.210 nan 0.000 0.417 146 R N 0.665 121.173 120.500 0.013 0.000 2.083 146 R HA -0.205 4.135 4.340 -0.000 0.000 0.237 146 R C 2.259 178.702 176.300 0.238 0.000 1.137 146 R CA 1.855 58.038 56.100 0.139 0.000 0.951 146 R CB -0.383 29.975 30.300 0.097 0.000 0.851 146 R HN 0.478 nan 8.270 nan 0.000 0.434 147 H N -1.300 117.821 119.070 0.084 0.000 2.423 147 H HA -0.030 4.526 4.556 -0.000 0.000 0.297 147 H C 1.830 177.227 175.328 0.114 0.000 1.075 147 H CA 1.221 57.316 56.048 0.079 0.000 1.342 147 H CB 0.229 30.025 29.762 0.056 0.000 1.395 147 H HN 0.272 nan 8.280 nan 0.000 0.530 148 T N -0.310 114.367 114.554 0.205 0.000 2.674 148 T HA -0.167 4.183 4.350 -0.000 0.000 0.265 148 T C 1.549 176.396 174.700 0.244 0.000 1.039 148 T CA 1.424 63.637 62.100 0.189 0.000 1.150 148 T CB -0.368 68.566 68.868 0.110 0.000 0.864 148 T HN 0.589 nan 8.240 nan 0.000 0.427 149 H N 0.438 119.656 119.070 0.246 0.000 2.421 149 H HA -0.006 4.550 4.556 -0.000 0.000 0.298 149 H C 2.671 178.175 175.328 0.292 0.000 1.087 149 H CA 0.891 57.082 56.048 0.239 0.000 1.330 149 H CB 0.136 30.019 29.762 0.201 0.000 1.388 149 H HN 0.381 nan 8.280 nan 0.000 0.526 150 Q N -0.247 119.789 119.800 0.393 0.000 2.020 150 Q HA -0.137 4.203 4.340 -0.000 0.000 0.198 150 Q C 2.534 178.768 176.000 0.390 0.000 0.974 150 Q CA 1.449 57.456 55.803 0.340 0.000 0.829 150 Q CB 0.020 28.890 28.738 0.221 0.000 0.894 150 Q HN 0.474 nan 8.270 nan 0.000 0.433 151 C N 0.151 119.661 119.300 0.351 0.000 2.425 151 C HA -0.130 4.330 4.460 -0.000 0.000 0.277 151 C C 2.806 178.041 174.990 0.408 0.000 1.280 151 C CA 0.712 59.973 59.018 0.405 0.000 1.744 151 C CB -1.190 26.754 27.740 0.340 0.000 1.989 151 C HN 0.622 nan 8.230 nan 0.000 0.491 152 A N -0.825 122.221 122.820 0.376 0.000 1.908 152 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 152 A C 1.988 179.795 177.584 0.372 0.000 1.181 152 A CA 1.733 53.977 52.037 0.345 0.000 0.627 152 A CB -1.004 18.192 19.000 0.327 0.000 0.818 152 A HN 0.639 nan 8.150 nan 0.000 0.445 153 Y N 0.382 120.856 120.300 0.289 0.000 2.224 153 Y HA -0.184 4.366 4.550 0.000 0.000 0.289 153 Y C 2.472 178.587 175.900 0.357 0.000 1.146 153 Y CA 1.657 59.937 58.100 0.300 0.000 1.182 153 Y CB -0.175 38.474 38.460 0.315 0.000 0.983 153 Y HN 0.100 nan 8.280 nan 0.000 0.524 154 V N 0.443 120.622 119.914 0.440 0.000 2.255 154 V HA -0.393 3.727 4.120 -0.000 0.000 0.247 154 V C 1.840 178.138 176.094 0.339 0.000 1.051 154 V CA 2.475 64.988 62.300 0.355 0.000 1.018 154 V CB -0.815 31.256 31.823 0.413 0.000 0.641 154 V HN 0.488 nan 8.190 nan 0.000 0.445 155 N N -1.116 117.809 118.700 0.374 0.000 2.120 155 N HA -0.243 4.497 4.740 -0.000 0.000 0.188 155 N C 1.953 177.588 175.510 0.208 0.000 1.024 155 N CA 1.613 54.876 53.050 0.355 0.000 0.852 155 N CB -0.305 38.423 38.487 0.400 0.000 1.003 155 N HN 0.609 nan 8.380 nan 0.000 0.424 156 Y N 0.580 120.902 120.300 0.036 0.000 2.165 156 Y HA -0.315 4.235 4.550 -0.000 0.000 0.286 156 Y C 2.320 178.107 175.900 -0.189 0.000 1.155 156 Y CA 1.513 59.551 58.100 -0.104 0.000 1.164 156 Y CB -0.407 37.913 38.460 -0.233 0.000 0.978 156 Y HN 0.112 nan 8.280 nan 0.000 0.513 157 Y N -0.673 119.538 120.300 -0.149 0.000 2.163 157 Y HA -0.244 4.306 4.550 -0.000 0.000 0.288 157 Y C 2.019 177.749 175.900 -0.284 0.000 1.136 157 Y CA 1.977 59.925 58.100 -0.252 0.000 1.147 157 Y CB -0.830 37.484 38.460 -0.243 0.000 0.987 157 Y HN 0.158 nan 8.280 nan 0.000 0.509 158 F N -0.620 119.280 119.950 -0.083 0.000 2.293 158 F HA -0.172 4.355 4.527 0.000 0.000 0.300 158 F C 2.425 178.037 175.800 -0.314 0.000 1.086 158 F CA 0.617 58.441 58.000 -0.292 0.000 1.375 158 F CB -0.356 38.180 39.000 -0.773 0.000 1.045 158 F HN 0.174 nan 8.300 nan 0.000 0.516 159 A N 0.093 122.847 122.820 -0.110 0.000 1.854 159 A HA -0.205 4.115 4.320 -0.000 0.000 0.214 159 A C 2.147 179.635 177.584 -0.160 0.000 1.192 159 A CA 1.692 53.692 52.037 -0.061 0.000 0.611 159 A CB -0.632 18.331 19.000 -0.062 0.000 0.832 159 A HN 0.304 nan 8.150 nan 0.000 0.442 160 K N -0.772 119.433 120.400 -0.325 0.000 2.097 160 K HA -0.137 4.183 4.320 -0.000 0.000 0.205 160 K C 1.054 177.476 176.600 -0.296 0.000 1.050 160 K CA 1.826 57.899 56.287 -0.356 0.000 0.938 160 K CB -0.103 32.087 32.500 -0.518 0.000 0.718 160 K HN 0.492 nan 8.250 nan 0.000 0.442 161 N N -0.735 117.753 118.700 -0.355 0.000 2.273 161 N HA 0.112 4.852 4.740 -0.000 0.000 0.192 161 N C 0.209 175.683 175.510 -0.061 0.000 1.132 161 N CA 0.255 53.141 53.050 -0.274 0.000 0.887 161 N CB 1.074 39.239 38.487 -0.537 0.000 1.048 161 N HN 0.172 nan 8.380 nan 0.000 0.490 162 G N 0.519 109.343 108.800 0.041 0.000 2.588 162 G HA2 0.079 4.039 3.960 -0.000 0.000 0.281 162 G HA3 0.079 4.039 3.960 -0.000 0.000 0.281 162 G C 0.651 175.618 174.900 0.113 0.000 1.236 162 G CA -0.291 44.918 45.100 0.181 0.000 0.969 162 G HN 0.268 nan 8.290 nan 0.000 0.504 163 Q N -1.575 118.300 119.800 0.125 0.000 2.435 163 Q HA 0.062 4.402 4.340 -0.000 0.000 0.207 163 Q C -0.418 175.626 176.000 0.073 0.000 0.956 163 Q CA 0.974 56.825 55.803 0.081 0.000 0.917 163 Q CB 0.393 29.173 28.738 0.070 0.000 0.997 163 Q HN 0.338 nan 8.270 nan 0.000 0.497 164 D N -0.028 120.434 120.400 0.103 0.000 2.318 164 D HA 0.228 4.868 4.640 -0.000 0.000 0.233 164 D C -2.417 173.980 176.300 0.161 0.000 1.348 164 D CA -1.890 52.167 54.000 0.096 0.000 0.983 164 D CB 1.761 42.597 40.800 0.061 0.000 1.416 164 D HN -0.215 nan 8.370 nan 0.000 0.558 165 P HA 0.067 nan 4.420 nan 0.000 0.217 165 P C 0.122 177.510 177.300 0.146 0.000 1.151 165 P CA 0.423 63.611 63.100 0.147 0.000 0.828 165 P CB 0.122 31.856 31.700 0.056 0.000 0.788 166 A N -0.310 122.563 122.820 0.088 0.000 2.567 166 A HA 0.357 4.677 4.320 -0.000 0.000 0.240 166 A C 1.678 179.310 177.584 0.080 0.000 1.053 166 A CA 0.964 53.042 52.037 0.069 0.000 0.755 166 A CB -1.289 17.738 19.000 0.044 0.000 0.978 166 A HN 0.428 nan 8.150 nan 0.000 0.507 167 G N 1.792 110.657 108.800 0.109 0.000 2.527 167 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.218 167 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.218 167 G C 0.979 175.982 174.900 0.172 0.000 1.177 167 G CA 0.998 46.221 45.100 0.204 0.000 0.695 167 G HN 0.936 nan 8.290 nan 0.000 0.517 168 H N 1.680 120.844 119.070 0.158 0.000 2.389 168 H HA -0.013 4.543 4.556 0.000 0.000 0.299 168 H C 2.549 177.937 175.328 0.099 0.000 1.081 168 H CA 1.737 57.871 56.048 0.144 0.000 1.345 168 H CB 0.107 29.952 29.762 0.139 0.000 1.393 168 H HN 0.608 nan 8.280 nan 0.000 0.520 169 N N 0.436 119.246 118.700 0.184 0.000 2.467 169 N HA -0.077 4.663 4.740 -0.000 0.000 0.184 169 N C -0.249 175.286 175.510 0.042 0.000 1.106 169 N CA 1.223 54.326 53.050 0.089 0.000 0.892 169 N CB 0.294 38.807 38.487 0.044 0.000 0.969 169 N HN 0.499 nan 8.380 nan 0.000 0.454 170 D N -2.977 117.435 120.400 0.019 0.000 2.783 170 D HA 0.289 4.929 4.640 -0.000 0.000 0.306 170 D C 0.890 177.099 176.300 -0.153 0.000 1.633 170 D CA -0.093 53.874 54.000 -0.054 0.000 0.796 170 D CB -0.466 40.300 40.800 -0.056 0.000 1.230 170 D HN 0.114 nan 8.370 nan 0.000 0.441 171 A N 1.074 123.784 122.820 -0.183 0.000 1.986 171 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 171 A C 2.093 179.347 177.584 -0.551 0.000 1.171 171 A CA 1.232 52.955 52.037 -0.523 0.000 0.640 171 A CB -0.541 18.227 19.000 -0.387 0.000 0.811 171 A HN 0.219 nan 8.150 nan 0.000 0.451 172 R N -0.757 119.550 120.500 -0.322 0.000 2.200 172 R HA -0.172 4.168 4.340 -0.000 0.000 0.234 172 R C 2.257 178.358 176.300 -0.331 0.000 1.127 172 R CA 1.702 57.612 56.100 -0.317 0.000 0.989 172 R CB -0.190 30.008 30.300 -0.170 0.000 0.869 172 R HN 0.832 nan 8.270 nan 0.000 0.459 173 R N -0.991 119.337 120.500 -0.286 0.000 2.310 173 R HA 0.062 4.402 4.340 -0.000 0.000 0.199 173 R C 1.724 177.888 176.300 -0.226 0.000 0.891 173 R CA 0.929 56.900 56.100 -0.215 0.000 1.060 173 R CB -0.368 29.851 30.300 -0.135 0.000 1.188 173 R HN 0.043 nan 8.270 nan 0.000 0.607 174 T N -0.066 114.327 114.554 -0.268 0.000 3.085 174 T HA -0.007 4.343 4.350 -0.000 0.000 0.263 174 T C 1.800 176.309 174.700 -0.319 0.000 1.127 174 T CA 0.581 62.555 62.100 -0.210 0.000 1.103 174 T CB -0.177 68.627 68.868 -0.107 0.000 0.921 174 T HN 0.453 nan 8.240 nan 0.000 0.510 175 R N 1.672 121.767 120.500 -0.675 0.000 2.193 175 R HA -0.027 4.312 4.340 -0.000 0.000 0.213 175 R C 2.323 178.429 176.300 -0.323 0.000 1.055 175 R CA 1.484 57.179 56.100 -0.674 0.000 0.995 175 R CB -1.387 28.214 30.300 -1.164 0.000 0.893 175 R HN 0.530 nan 8.270 nan 0.000 0.459 176 T N -0.298 114.065 114.554 -0.318 0.000 2.881 176 T HA -0.030 4.320 4.350 -0.000 0.000 0.270 176 T C 1.972 176.746 174.700 0.124 0.000 1.068 176 T CA 0.989 63.080 62.100 -0.016 0.000 1.131 176 T CB -0.372 68.489 68.868 -0.011 0.000 0.871 176 T HN 0.254 nan 8.240 nan 0.000 0.479 177 I N 1.567 122.187 120.570 0.084 0.000 2.226 177 I HA 0.099 4.269 4.170 -0.000 0.000 0.245 177 I C 1.928 178.154 176.117 0.180 0.000 1.100 177 I CA 0.768 62.142 61.300 0.124 0.000 1.374 177 I CB -0.904 37.111 38.000 0.025 0.000 1.057 177 I HN 0.386 nan 8.210 nan 0.000 0.413 178 G N 0.708 109.625 108.800 0.195 0.000 2.476 178 G HA2 0.274 4.234 3.960 -0.000 0.000 0.286 178 G HA3 0.274 4.234 3.960 -0.000 0.000 0.286 178 G C -1.754 173.257 174.900 0.186 0.000 1.177 178 G CA -0.834 44.380 45.100 0.191 0.000 0.870 178 G HN 0.033 nan 8.290 nan 0.000 0.528 179 P HA -0.035 nan 4.420 nan 0.000 0.225 179 P C 1.856 179.236 177.300 0.134 0.000 1.156 179 P CA 0.505 63.614 63.100 0.015 0.000 0.787 179 P CB 0.339 31.982 31.700 -0.095 0.000 0.802 180 L N -1.496 119.891 121.223 0.273 0.000 2.131 180 L HA -0.086 4.254 4.340 -0.000 0.000 0.210 180 L C 2.777 179.933 176.870 0.476 0.000 1.092 180 L CA 1.438 56.517 54.840 0.398 0.000 0.759 180 L CB -1.035 41.295 42.059 0.452 0.000 0.903 180 L HN 0.115 nan 8.230 nan 0.000 0.435 181 W N 1.795 123.233 121.300 0.230 0.000 2.358 181 W HA -0.216 4.444 4.660 -0.000 0.000 0.303 181 W C 2.207 178.578 176.519 -0.246 0.000 1.208 181 W CA 0.995 58.263 57.345 -0.128 0.000 1.274 181 W CB 0.064 29.505 29.460 -0.032 0.000 1.138 181 W HN 0.058 nan 8.180 nan 0.000 0.515 182 K N 0.368 120.597 120.400 -0.285 0.000 2.020 182 K HA -0.172 4.148 4.320 -0.000 0.000 0.212 182 K C 2.234 178.530 176.600 -0.507 0.000 1.050 182 K CA 1.870 57.899 56.287 -0.431 0.000 0.929 182 K CB -1.474 30.898 32.500 -0.212 0.000 0.714 182 K HN 0.344 nan 8.250 nan 0.000 0.443 183 G N 1.014 109.592 108.800 -0.370 0.000 2.448 183 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.219 183 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.219 183 G C 1.575 175.683 174.900 -1.319 0.000 1.127 183 G CA 0.842 45.607 45.100 -0.558 0.000 0.766 183 G HN 0.202 nan 8.290 nan 0.000 0.552 184 M N 0.673 119.511 119.600 -1.271 0.000 2.132 184 M HA 0.120 4.600 4.480 -0.000 0.000 0.263 184 M C 2.289 177.991 176.300 -0.997 0.000 1.065 184 M CA 1.444 55.984 55.300 -1.267 0.000 1.122 184 M CB -0.226 31.770 32.600 -1.006 0.000 1.365 184 M HN 0.076 nan 8.290 nan 0.000 0.411 185 K N -0.917 118.843 120.400 -1.067 0.000 2.283 185 K HA -0.121 4.199 4.320 -0.000 0.000 0.202 185 K C 2.158 178.444 176.600 -0.525 0.000 1.048 185 K CA 0.491 56.300 56.287 -0.796 0.000 0.948 185 K CB -0.153 31.844 32.500 -0.839 0.000 0.742 185 K HN 0.228 nan 8.250 nan 0.000 0.458 186 R N 1.336 121.517 120.500 -0.532 0.000 2.055 186 R HA -0.094 4.246 4.340 -0.000 0.000 0.228 186 R C 2.224 178.335 176.300 -0.316 0.000 1.143 186 R CA 1.833 57.730 56.100 -0.338 0.000 0.945 186 R CB -0.665 29.464 30.300 -0.286 0.000 0.841 186 R HN 0.170 nan 8.270 nan 0.000 0.429 187 V N -2.059 117.591 119.914 -0.441 0.000 2.548 187 V HA -0.016 4.104 4.120 -0.000 0.000 0.249 187 V C 1.674 177.586 176.094 -0.302 0.000 1.055 187 V CA 1.352 63.481 62.300 -0.286 0.000 1.065 187 V CB -0.612 30.963 31.823 -0.413 0.000 0.681 187 V HN 0.040 nan 8.190 nan 0.000 0.462 188 F N -0.115 119.325 119.950 -0.850 0.000 2.661 188 F HA 0.540 5.067 4.527 0.000 0.000 0.306 188 F C 1.782 177.054 175.800 -0.880 0.000 1.094 188 F CA -0.142 57.108 58.000 -1.249 0.000 1.254 188 F CB 0.436 39.160 39.000 -0.459 0.000 1.040 188 F HN 0.148 nan 8.300 nan 0.000 0.562 189 S N -0.862 114.575 115.700 -0.438 0.000 3.627 189 S HA 0.028 4.498 4.470 -0.000 0.000 0.190 189 S C 1.356 175.895 174.600 -0.101 0.000 0.880 189 S CA 0.059 58.152 58.200 -0.179 0.000 0.894 189 S CB 0.130 63.216 63.200 -0.190 0.000 1.095 189 S HN 0.081 nan 8.310 nan 0.000 0.655 190 D N 1.835 122.152 120.400 -0.139 0.000 2.144 190 D HA -0.006 4.634 4.640 -0.000 0.000 0.200 190 D C 1.860 178.143 176.300 -0.029 0.000 0.978 190 D CA 1.220 55.174 54.000 -0.078 0.000 0.833 190 D CB -0.632 40.106 40.800 -0.104 0.000 0.961 190 D HN 0.486 nan 8.370 nan 0.000 0.470 191 G N -0.357 108.410 108.800 -0.055 0.000 2.498 191 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.219 191 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.219 191 G C 1.415 176.452 174.900 0.228 0.000 1.119 191 G CA -0.013 45.119 45.100 0.052 0.000 0.766 191 G HN 0.277 nan 8.290 nan 0.000 0.552 192 F N 0.037 119.970 119.950 -0.028 0.000 2.387 192 F HA 0.208 4.735 4.527 0.000 0.000 0.294 192 F C 2.274 178.010 175.800 -0.106 0.000 1.093 192 F CA 0.384 58.340 58.000 -0.074 0.000 1.420 192 F CB 0.293 39.227 39.000 -0.111 0.000 1.086 192 F HN 0.195 nan 8.300 nan 0.000 0.531 193 I N -4.444 116.185 120.570 0.098 0.000 4.327 193 I HA 0.276 4.446 4.170 -0.000 0.000 0.331 193 I C -0.150 175.947 176.117 -0.034 0.000 1.348 193 I CA 0.049 61.337 61.300 -0.019 0.000 1.152 193 I CB 0.413 38.392 38.000 -0.034 0.000 1.151 193 I HN -0.253 nan 8.210 nan 0.000 0.410 194 S N 2.161 117.856 115.700 -0.008 0.000 2.448 194 S HA 0.815 5.285 4.470 -0.000 0.000 0.320 194 S C 0.197 174.789 174.600 -0.014 0.000 1.071 194 S CA 0.104 58.291 58.200 -0.021 0.000 1.113 194 S CB 1.152 64.326 63.200 -0.045 0.000 0.972 194 S HN 0.816 nan 8.310 nan 0.000 0.465 195 G N 2.689 111.485 108.800 -0.008 0.000 2.270 195 G HA2 0.013 3.973 3.960 -0.000 0.000 0.268 195 G HA3 0.013 3.973 3.960 -0.000 0.000 0.268 195 G C -1.621 173.290 174.900 0.020 0.000 1.312 195 G CA -0.978 44.126 45.100 0.006 0.000 1.050 195 G HN 0.541 nan 8.290 nan 0.000 0.474 196 D N 1.072 121.495 120.400 0.039 0.000 2.425 196 D HA 0.517 5.157 4.640 -0.000 0.000 0.247 196 D C 1.699 178.017 176.300 0.031 0.000 1.147 196 D CA 0.882 54.919 54.000 0.062 0.000 0.879 196 D CB 1.321 42.193 40.800 0.120 0.000 1.179 196 D HN 0.995 nan 8.370 nan 0.000 0.456 197 A N 3.710 126.532 122.820 0.003 0.000 1.927 197 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 197 A C 2.338 179.869 177.584 -0.089 0.000 1.185 197 A CA 1.955 53.942 52.037 -0.083 0.000 0.639 197 A CB -0.676 18.268 19.000 -0.093 0.000 0.820 197 A HN 0.541 nan 8.150 nan 0.000 0.451 198 V N -0.006 119.873 119.914 -0.059 0.000 2.358 198 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 198 V C 2.540 178.578 176.094 -0.093 0.000 1.047 198 V CA 2.310 64.506 62.300 -0.175 0.000 1.035 198 V CB -0.784 30.713 31.823 -0.544 0.000 0.658 198 V HN 0.842 nan 8.190 nan 0.000 0.452 199 E N -0.349 119.860 120.200 0.015 0.000 2.058 199 E HA -0.267 4.083 4.350 -0.000 0.000 0.194 199 E C 2.250 178.891 176.600 0.068 0.000 0.997 199 E CA 2.158 58.605 56.400 0.079 0.000 0.801 199 E CB -0.282 29.490 29.700 0.119 0.000 0.746 199 E HN 0.636 nan 8.360 nan 0.000 0.450 200 C N 0.369 119.686 119.300 0.028 0.000 2.413 200 C HA -0.091 4.369 4.460 -0.000 0.000 0.277 200 C C 3.083 178.054 174.990 -0.032 0.000 1.265 200 C CA 1.109 60.139 59.018 0.020 0.000 1.752 200 C CB -1.159 26.556 27.740 -0.043 0.000 1.998 200 C HN 0.566 nan 8.230 nan 0.000 0.489 201 S N 0.291 115.940 115.700 -0.084 0.000 2.399 201 S HA -0.068 4.402 4.470 -0.000 0.000 0.231 201 S C 1.692 176.280 174.600 -0.020 0.000 1.022 201 S CA 1.274 59.406 58.200 -0.112 0.000 0.983 201 S CB -0.240 62.888 63.200 -0.120 0.000 0.803 201 S HN 0.632 nan 8.310 nan 0.000 0.480 202 L N 1.239 122.490 121.223 0.045 0.000 2.072 202 L HA -0.029 4.311 4.340 -0.000 0.000 0.205 202 L C 2.608 179.592 176.870 0.190 0.000 1.079 202 L CA 0.940 55.865 54.840 0.140 0.000 0.752 202 L CB -0.675 41.483 42.059 0.165 0.000 0.906 202 L HN 0.289 nan 8.230 nan 0.000 0.436 203 N N 0.256 119.074 118.700 0.196 0.000 2.120 203 N HA -0.167 4.573 4.740 -0.000 0.000 0.188 203 N C 1.798 177.514 175.510 0.343 0.000 1.024 203 N CA 1.333 54.571 53.050 0.314 0.000 0.852 203 N CB -0.119 38.588 38.487 0.366 0.000 1.003 203 N HN 0.172 nan 8.380 nan 0.000 0.424 204 L N 1.190 122.412 121.223 -0.002 0.000 2.034 204 L HA -0.062 4.278 4.340 -0.000 0.000 0.203 204 L C 1.971 178.681 176.870 -0.267 0.000 1.074 204 L CA 1.690 56.190 54.840 -0.567 0.000 0.748 204 L CB -0.535 40.913 42.059 -1.019 0.000 0.905 204 L HN 0.084 nan 8.230 nan 0.000 0.439 205 Q N -1.352 118.369 119.800 -0.131 0.000 2.263 205 Q HA 0.025 4.365 4.340 -0.000 0.000 0.196 205 Q C 2.069 178.139 176.000 0.117 0.000 0.965 205 Q CA 0.779 56.571 55.803 -0.018 0.000 0.851 205 Q CB -0.341 28.404 28.738 0.010 0.000 0.948 205 Q HN 0.318 nan 8.270 nan 0.000 0.516 206 L N 0.313 121.666 121.223 0.216 0.000 2.127 206 L HA -0.145 4.195 4.340 -0.000 0.000 0.211 206 L C 1.713 178.889 176.870 0.511 0.000 1.089 206 L CA 1.500 56.594 54.840 0.424 0.000 0.757 206 L CB -0.019 42.269 42.059 0.382 0.000 0.899 206 L HN 0.063 nan 8.230 nan 0.000 0.434 207 V N -2.366 117.735 119.914 0.311 0.000 2.840 207 V HA 0.244 4.364 4.120 -0.000 0.000 0.234 207 V C 2.266 178.346 176.094 -0.024 0.000 1.159 207 V CA 0.799 63.161 62.300 0.104 0.000 1.194 207 V CB -0.767 31.160 31.823 0.173 0.000 0.971 207 V HN 0.365 nan 8.190 nan 0.000 0.494 208 G N 0.466 109.382 108.800 0.194 0.000 2.721 208 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.218 208 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.218 208 G C 1.336 176.325 174.900 0.149 0.000 1.265 208 G CA 1.509 46.806 45.100 0.329 0.000 0.796 208 G HN 0.573 nan 8.290 nan 0.000 0.620 209 E N 0.409 120.622 120.200 0.022 0.000 2.152 209 E HA 0.109 4.459 4.350 -0.000 0.000 0.192 209 E C 2.831 179.323 176.600 -0.180 0.000 0.983 209 E CA 0.592 56.963 56.400 -0.048 0.000 0.818 209 E CB -0.087 29.594 29.700 -0.032 0.000 0.758 209 E HN 0.428 nan 8.360 nan 0.000 0.467 210 A N 0.330 122.987 122.820 -0.271 0.000 1.935 210 A HA -0.098 4.222 4.320 -0.000 0.000 0.214 210 A C 2.241 179.548 177.584 -0.461 0.000 1.178 210 A CA 0.783 52.509 52.037 -0.519 0.000 0.640 210 A CB -0.558 17.881 19.000 -0.935 0.000 0.825 210 A HN 0.423 nan 8.150 nan 0.000 0.447 211 C N -2.351 116.584 119.300 -0.609 0.000 2.519 211 C HA 0.315 4.775 4.460 -0.000 0.000 0.281 211 C C 2.136 176.624 174.990 -0.837 0.000 1.331 211 C CA 0.912 59.353 59.018 -0.960 0.000 1.725 211 C CB -0.898 25.662 27.740 -1.966 0.000 2.079 211 C HN 0.497 nan 8.230 nan 0.000 0.496 212 F N 0.714 120.490 119.950 -0.289 0.000 2.536 212 F HA 0.166 4.693 4.527 -0.000 0.000 0.278 212 F C 2.609 178.232 175.800 -0.294 0.000 0.945 212 F CA 1.407 59.270 58.000 -0.229 0.000 1.244 212 F CB -1.263 37.622 39.000 -0.192 0.000 1.118 212 F HN -0.060 nan 8.300 nan 0.000 0.725 213 T N 0.330 114.904 114.554 0.033 0.000 2.635 213 T HA -0.267 4.083 4.350 -0.000 0.000 0.267 213 T C 1.702 176.353 174.700 -0.082 0.000 1.040 213 T CA 2.040 64.156 62.100 0.027 0.000 1.156 213 T CB -0.697 68.247 68.868 0.128 0.000 0.863 213 T HN 0.136 nan 8.240 nan 0.000 0.430 214 N N 1.793 120.399 118.700 -0.158 0.000 2.043 214 N HA -0.063 4.677 4.740 -0.000 0.000 0.193 214 N C -1.030 174.332 175.510 -0.248 0.000 1.037 214 N CA 1.375 54.313 53.050 -0.186 0.000 0.851 214 N CB -0.866 37.495 38.487 -0.211 0.000 1.027 214 N HN 0.255 nan 8.380 nan 0.000 0.422 215 P HA -0.052 nan 4.420 nan 0.000 0.219 215 P C 1.488 178.475 177.300 -0.522 0.000 1.150 215 P CA 0.616 63.285 63.100 -0.719 0.000 0.814 215 P CB -0.023 30.714 31.700 -1.606 0.000 0.787 216 L N -0.786 120.179 121.223 -0.429 0.000 2.027 216 L HA -0.121 4.218 4.340 -0.000 0.000 0.206 216 L C 1.992 179.077 176.870 0.359 0.000 1.074 216 L CA 1.957 56.934 54.840 0.228 0.000 0.745 216 L CB -1.324 40.884 42.059 0.249 0.000 0.898 216 L HN -0.168 nan 8.230 nan 0.000 0.433 217 I N -0.471 120.214 120.570 0.191 0.000 2.194 217 I HA -0.270 3.900 4.170 -0.000 0.000 0.246 217 I C 2.585 178.894 176.117 0.320 0.000 1.093 217 I CA 1.452 62.907 61.300 0.260 0.000 1.355 217 I CB -1.361 36.667 38.000 0.047 0.000 1.046 217 I HN 0.174 nan 8.210 nan 0.000 0.413 218 V N 1.246 121.278 119.914 0.197 0.000 2.307 218 V HA -0.219 3.901 4.120 -0.000 0.000 0.245 218 V C 2.844 179.098 176.094 0.267 0.000 1.045 218 V CA 1.677 64.088 62.300 0.185 0.000 1.024 218 V CB -1.147 30.737 31.823 0.101 0.000 0.651 218 V HN 0.454 nan 8.190 nan 0.000 0.449 219 A N -0.034 123.017 122.820 0.384 0.000 1.908 219 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 219 A C 2.396 180.269 177.584 0.482 0.000 1.181 219 A CA 2.237 54.556 52.037 0.470 0.000 0.627 219 A CB -0.774 18.683 19.000 0.762 0.000 0.818 219 A HN 0.345 nan 8.150 nan 0.000 0.445 220 V N 0.720 120.993 119.914 0.598 0.000 2.407 220 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 220 V C 2.980 179.326 176.094 0.420 0.000 1.055 220 V CA 2.443 65.133 62.300 0.650 0.000 1.049 220 V CB -1.493 30.742 31.823 0.687 0.000 0.662 220 V HN 0.866 nan 8.190 nan 0.000 0.455 221 T N -2.089 112.648 114.554 0.306 0.000 2.915 221 T HA -0.213 4.137 4.350 -0.000 0.000 0.269 221 T C 1.687 176.423 174.700 0.060 0.000 1.071 221 T CA 1.595 63.792 62.100 0.163 0.000 1.132 221 T CB -0.189 68.769 68.868 0.150 0.000 0.878 221 T HN 0.410 nan 8.240 nan 0.000 0.479 222 E N 0.502 120.735 120.200 0.055 0.000 2.028 222 E HA 0.038 4.388 4.350 -0.000 0.000 0.190 222 E C 1.623 178.064 176.600 -0.265 0.000 0.984 222 E CA 1.122 57.456 56.400 -0.110 0.000 0.800 222 E CB -0.523 29.100 29.700 -0.129 0.000 0.758 222 E HN 0.727 nan 8.360 nan 0.000 0.448 223 W N 0.660 121.766 121.300 -0.324 0.000 2.363 223 W HA -0.013 4.647 4.660 -0.000 0.000 0.296 223 W C 2.312 178.217 176.519 -1.025 0.000 1.212 223 W CA 1.252 58.232 57.345 -0.609 0.000 1.260 223 W CB -0.583 28.528 29.460 -0.581 0.000 1.131 223 W HN 0.147 nan 8.180 nan 0.000 0.530 224 A N 0.525 123.020 122.820 -0.542 0.000 1.845 224 A HA -0.077 4.243 4.320 -0.000 0.000 0.215 224 A C 2.125 179.488 177.584 -0.368 0.000 1.195 224 A CA 2.575 54.277 52.037 -0.558 0.000 0.616 224 A CB -1.429 17.651 19.000 0.133 0.000 0.832 224 A HN 0.169 nan 8.150 nan 0.000 0.443 225 A N -0.143 122.556 122.820 -0.202 0.000 1.917 225 A HA 0.071 4.391 4.320 -0.000 0.000 0.219 225 A C 2.479 179.941 177.584 -0.205 0.000 1.182 225 A CA 2.373 54.319 52.037 -0.152 0.000 0.633 225 A CB -1.070 17.856 19.000 -0.123 0.000 0.819 225 A HN 1.195 nan 8.150 nan 0.000 0.448 226 A N -0.297 122.347 122.820 -0.293 0.000 2.019 226 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 226 A C 1.437 178.933 177.584 -0.147 0.000 1.164 226 A CA 1.710 53.577 52.037 -0.283 0.000 0.644 226 A CB -0.520 18.258 19.000 -0.369 0.000 0.805 226 A HN 0.612 nan 8.150 nan 0.000 0.449 227 N N -1.327 117.241 118.700 -0.221 0.000 2.273 227 N HA 0.381 5.121 4.740 -0.000 0.000 0.231 227 N C 0.798 176.347 175.510 0.065 0.000 1.134 227 N CA 0.803 53.835 53.050 -0.030 0.000 0.856 227 N CB 0.750 39.129 38.487 -0.179 0.000 1.068 227 N HN 0.497 nan 8.380 nan 0.000 0.510 228 G N 0.392 109.206 108.800 0.023 0.000 2.179 228 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 228 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 228 G C -0.279 174.696 174.900 0.125 0.000 0.977 228 G CA 0.059 45.207 45.100 0.081 0.000 0.641 228 G HN 0.447 nan 8.290 nan 0.000 0.533 229 D N 0.672 121.146 120.400 0.123 0.000 2.365 229 D HA 0.479 5.119 4.640 -0.000 0.000 0.237 229 D C 1.144 177.532 176.300 0.147 0.000 1.190 229 D CA -0.415 53.744 54.000 0.265 0.000 0.867 229 D CB 0.581 41.667 40.800 0.476 0.000 1.050 229 D HN 0.193 nan 8.370 nan 0.000 0.491 230 E N 3.686 123.952 120.200 0.111 0.000 2.498 230 E HA 0.043 4.393 4.350 -0.000 0.000 0.203 230 E C 1.577 178.167 176.600 -0.016 0.000 1.013 230 E CA -0.083 56.336 56.400 0.031 0.000 0.927 230 E CB 0.599 30.305 29.700 0.009 0.000 1.012 230 E HN 0.556 nan 8.360 nan 0.000 0.482 231 I N 0.918 121.473 120.570 -0.026 0.000 2.193 231 I HA -0.151 4.019 4.170 -0.000 0.000 0.240 231 I C 2.080 178.148 176.117 -0.081 0.000 1.084 231 I CA 1.233 62.416 61.300 -0.195 0.000 1.365 231 I CB -1.478 36.245 38.000 -0.461 0.000 1.064 231 I HN -0.004 nan 8.210 nan 0.000 0.410 232 T N 2.057 116.630 114.554 0.031 0.000 2.708 232 T HA -0.076 4.274 4.350 -0.000 0.000 0.266 232 T C -0.309 174.354 174.700 -0.062 0.000 1.037 232 T CA 1.548 63.589 62.100 -0.099 0.000 1.146 232 T CB -1.329 67.472 68.868 -0.112 0.000 0.865 232 T HN 0.211 nan 8.240 nan 0.000 0.435 233 P HA -0.052 nan 4.420 nan 0.000 0.215 233 P C 1.620 178.948 177.300 0.047 0.000 1.153 233 P CA 1.202 64.332 63.100 0.049 0.000 0.853 233 P CB -0.273 31.441 31.700 0.024 0.000 0.788 234 T N -0.968 113.586 114.554 -0.001 0.000 2.720 234 T HA -0.100 4.250 4.350 -0.000 0.000 0.268 234 T C 1.769 176.456 174.700 -0.021 0.000 1.037 234 T CA 1.375 63.453 62.100 -0.036 0.000 1.144 234 T CB -0.859 67.954 68.868 -0.092 0.000 0.864 234 T HN -0.092 nan 8.240 nan 0.000 0.444 235 V N 0.281 120.222 119.914 0.046 0.000 2.331 235 V HA 0.016 4.136 4.120 -0.000 0.000 0.242 235 V C 2.128 178.375 176.094 0.256 0.000 1.034 235 V CA 1.170 63.540 62.300 0.116 0.000 1.027 235 V CB -0.635 31.327 31.823 0.231 0.000 0.667 235 V HN 0.312 nan 8.190 nan 0.000 0.457 236 F N 0.278 120.237 119.950 0.014 0.000 2.171 236 F HA -0.079 4.448 4.527 -0.000 0.000 0.300 236 F C 2.150 177.936 175.800 -0.024 0.000 1.090 236 F CA 0.933 58.941 58.000 0.014 0.000 1.293 236 F CB -0.972 38.082 39.000 0.090 0.000 1.013 236 F HN 0.049 nan 8.300 nan 0.000 0.486 237 L N -1.395 119.933 121.223 0.174 0.000 2.191 237 L HA -0.207 4.133 4.340 -0.000 0.000 0.212 237 L C 2.595 179.465 176.870 -0.001 0.000 1.103 237 L CA 1.325 56.204 54.840 0.066 0.000 0.769 237 L CB -0.666 41.418 42.059 0.042 0.000 0.908 237 L HN 0.128 nan 8.230 nan 0.000 0.438 238 S N 0.037 115.728 115.700 -0.014 0.000 2.387 238 S HA -0.056 4.414 4.470 -0.000 0.000 0.226 238 S C 1.954 176.504 174.600 -0.083 0.000 1.026 238 S CA 0.680 58.845 58.200 -0.059 0.000 0.972 238 S CB -0.066 63.081 63.200 -0.089 0.000 0.814 238 S HN 0.292 nan 8.310 nan 0.000 0.477 239 I N 1.415 121.903 120.570 -0.138 0.000 2.226 239 I HA -0.119 4.051 4.170 -0.000 0.000 0.245 239 I C 2.780 178.723 176.117 -0.290 0.000 1.100 239 I CA 1.233 62.320 61.300 -0.355 0.000 1.374 239 I CB -0.424 37.213 38.000 -0.604 0.000 1.057 239 I HN 0.371 nan 8.210 nan 0.000 0.413 240 E N 0.977 121.068 120.200 -0.182 0.000 2.130 240 E HA -0.262 4.088 4.350 -0.000 0.000 0.196 240 E C 2.167 178.694 176.600 -0.123 0.000 0.998 240 E CA 2.224 58.543 56.400 -0.135 0.000 0.806 240 E CB -0.095 29.568 29.700 -0.061 0.000 0.738 240 E HN 0.589 nan 8.360 nan 0.000 0.459 241 T N -1.120 113.374 114.554 -0.099 0.000 2.929 241 T HA -0.128 4.222 4.350 -0.000 0.000 0.271 241 T C 1.249 175.875 174.700 -0.125 0.000 1.085 241 T CA 1.355 63.400 62.100 -0.092 0.000 1.125 241 T CB -0.094 68.729 68.868 -0.076 0.000 0.874 241 T HN -0.005 nan 8.240 nan 0.000 0.494 242 D N 1.187 121.510 120.400 -0.129 0.000 2.333 242 D HA 0.109 4.749 4.640 -0.000 0.000 0.208 242 D C 2.417 178.486 176.300 -0.385 0.000 0.984 242 D CA 1.071 54.964 54.000 -0.179 0.000 0.873 242 D CB -0.305 40.491 40.800 -0.006 0.000 0.935 242 D HN 0.789 nan 8.370 nan 0.000 0.521 243 E N 0.998 120.989 120.200 -0.348 0.000 2.401 243 E HA -0.100 4.250 4.350 -0.000 0.000 0.199 243 E C 2.160 178.640 176.600 -0.199 0.000 1.023 243 E CA 0.421 56.603 56.400 -0.364 0.000 0.859 243 E CB -0.913 28.660 29.700 -0.212 0.000 0.780 243 E HN 0.299 nan 8.360 nan 0.000 0.523 244 L N -0.750 120.374 121.223 -0.166 0.000 2.093 244 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 244 L C 2.894 179.748 176.870 -0.027 0.000 1.085 244 L CA 1.394 56.202 54.840 -0.054 0.000 0.755 244 L CB -0.111 41.930 42.059 -0.030 0.000 0.904 244 L HN 0.223 nan 8.230 nan 0.000 0.435 245 R N -1.199 119.155 120.500 -0.243 0.000 2.115 245 R HA -0.081 4.259 4.340 -0.000 0.000 0.226 245 R C 2.181 178.560 176.300 0.131 0.000 1.100 245 R CA 0.955 56.932 56.100 -0.205 0.000 0.980 245 R CB -0.398 29.674 30.300 -0.380 0.000 0.875 245 R HN 0.535 nan 8.270 nan 0.000 0.445 246 H N -0.155 118.900 119.070 -0.026 0.000 2.353 246 H HA -0.071 4.485 4.556 -0.000 0.000 0.300 246 H C 2.127 177.492 175.328 0.063 0.000 1.090 246 H CA 0.892 56.944 56.048 0.006 0.000 1.327 246 H CB 0.145 29.891 29.762 -0.027 0.000 1.383 246 H HN 0.061 nan 8.280 nan 0.000 0.508 247 M N 0.495 120.215 119.600 0.201 0.000 2.117 247 M HA -0.104 4.376 4.480 -0.000 0.000 0.262 247 M C 2.737 179.237 176.300 0.332 0.000 1.065 247 M CA 1.013 56.438 55.300 0.208 0.000 1.114 247 M CB -0.995 31.688 32.600 0.137 0.000 1.361 247 M HN 0.305 nan 8.290 nan 0.000 0.408 248 A N 0.530 123.522 122.820 0.287 0.000 1.933 248 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 248 A C 2.008 179.734 177.584 0.237 0.000 1.175 248 A CA 1.931 54.125 52.037 0.262 0.000 0.628 248 A CB -1.069 18.132 19.000 0.334 0.000 0.814 248 A HN 0.646 nan 8.150 nan 0.000 0.444 249 N N -0.550 118.275 118.700 0.209 0.000 2.171 249 N HA -0.068 4.672 4.740 -0.000 0.000 0.184 249 N C 1.845 177.507 175.510 0.253 0.000 1.021 249 N CA 0.741 53.895 53.050 0.173 0.000 0.854 249 N CB -0.264 38.362 38.487 0.232 0.000 0.994 249 N HN 0.485 nan 8.380 nan 0.000 0.426 250 G N -0.067 108.890 108.800 0.262 0.000 2.422 250 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.218 250 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.218 250 G C 1.244 176.309 174.900 0.275 0.000 1.140 250 G CA 0.403 45.655 45.100 0.253 0.000 0.775 250 G HN 0.347 nan 8.290 nan 0.000 0.545 251 Y N 0.489 120.907 120.300 0.196 0.000 2.314 251 Y HA 0.073 4.623 4.550 -0.000 0.000 0.294 251 Y C 2.779 178.635 175.900 -0.073 0.000 1.119 251 Y CA 1.282 59.421 58.100 0.066 0.000 1.179 251 Y CB 0.153 38.662 38.460 0.082 0.000 1.025 251 Y HN 0.092 nan 8.280 nan 0.000 0.541 252 Q N -0.302 119.612 119.800 0.190 0.000 2.291 252 Q HA -0.093 4.247 4.340 -0.000 0.000 0.205 252 Q C 2.027 177.986 176.000 -0.067 0.000 0.970 252 Q CA 1.608 57.430 55.803 0.031 0.000 0.876 252 Q CB -0.459 28.279 28.738 0.000 0.000 0.935 252 Q HN 0.495 nan 8.270 nan 0.000 0.455 253 T N 0.255 114.806 114.554 -0.004 0.000 2.737 253 T HA -0.069 4.281 4.350 -0.000 0.000 0.265 253 T C 2.019 176.635 174.700 -0.139 0.000 1.038 253 T CA 1.183 63.286 62.100 0.004 0.000 1.144 253 T CB -0.149 68.757 68.868 0.064 0.000 0.866 253 T HN 0.045 nan 8.240 nan 0.000 0.434 254 V N 1.424 121.195 119.914 -0.239 0.000 2.407 254 V HA -0.128 3.992 4.120 -0.000 0.000 0.248 254 V C 2.642 178.454 176.094 -0.470 0.000 1.055 254 V CA 1.209 63.301 62.300 -0.347 0.000 1.049 254 V CB -0.667 30.887 31.823 -0.449 0.000 0.662 254 V HN 0.322 nan 8.190 nan 0.000 0.455 255 V N 0.833 120.382 119.914 -0.608 0.000 2.379 255 V HA -0.178 3.942 4.120 -0.000 0.000 0.245 255 V C 2.619 178.577 176.094 -0.227 0.000 1.044 255 V CA 2.015 63.954 62.300 -0.601 0.000 1.036 255 V CB -0.756 30.768 31.823 -0.498 0.000 0.664 255 V HN 0.754 nan 8.190 nan 0.000 0.453 256 S N 0.867 116.478 115.700 -0.149 0.000 2.500 256 S HA -0.077 4.393 4.470 -0.000 0.000 0.239 256 S C 1.635 176.226 174.600 -0.016 0.000 0.989 256 S CA 1.583 59.749 58.200 -0.057 0.000 0.951 256 S CB -0.580 62.603 63.200 -0.030 0.000 0.759 256 S HN 0.804 nan 8.310 nan 0.000 0.523 257 I N -3.556 116.996 120.570 -0.030 0.000 4.327 257 I HA 0.582 4.752 4.170 -0.000 0.000 0.331 257 I C 2.015 178.174 176.117 0.070 0.000 1.348 257 I CA 0.104 61.436 61.300 0.053 0.000 1.152 257 I CB -0.253 37.793 38.000 0.077 0.000 1.151 257 I HN 0.154 nan 8.210 nan 0.000 0.410 258 A N 2.257 125.091 122.820 0.024 0.000 1.986 258 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 258 A C 1.898 179.537 177.584 0.092 0.000 1.171 258 A CA 2.081 54.172 52.037 0.090 0.000 0.640 258 A CB -0.767 18.361 19.000 0.213 0.000 0.811 258 A HN 0.586 nan 8.150 nan 0.000 0.451 259 N N -0.061 118.683 118.700 0.073 0.000 2.424 259 N HA -0.028 4.712 4.740 -0.000 0.000 0.178 259 N C -0.123 175.416 175.510 0.049 0.000 1.060 259 N CA 0.452 53.535 53.050 0.055 0.000 0.901 259 N CB -0.122 38.393 38.487 0.045 0.000 0.979 259 N HN 0.584 nan 8.380 nan 0.000 0.451 260 D N 0.843 121.283 120.400 0.067 0.000 2.308 260 D HA 0.132 4.772 4.640 -0.000 0.000 0.251 260 D C -1.649 174.679 176.300 0.046 0.000 1.127 260 D CA -1.879 52.160 54.000 0.064 0.000 0.876 260 D CB 1.662 42.523 40.800 0.102 0.000 1.176 260 D HN -0.082 nan 8.370 nan 0.000 0.446 261 P HA -0.099 nan 4.420 nan 0.000 0.219 261 P C 0.722 177.983 177.300 -0.065 0.000 1.146 261 P CA 1.125 64.212 63.100 -0.021 0.000 0.808 261 P CB 0.163 31.848 31.700 -0.025 0.000 0.779 262 A N -0.786 122.006 122.820 -0.048 0.000 2.015 262 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 262 A C 2.452 179.956 177.584 -0.133 0.000 1.163 262 A CA 1.776 53.740 52.037 -0.122 0.000 0.646 262 A CB -1.460 17.549 19.000 0.015 0.000 0.806 262 A HN 0.200 nan 8.150 nan 0.000 0.448 263 S N -0.082 115.652 115.700 0.057 0.000 2.368 263 S HA -0.041 4.428 4.470 -0.000 0.000 0.225 263 S C 2.077 176.735 174.600 0.097 0.000 1.030 263 S CA 1.430 59.767 58.200 0.229 0.000 0.999 263 S CB -0.397 62.948 63.200 0.243 0.000 0.844 263 S HN 0.804 nan 8.310 nan 0.000 0.459 264 A N 0.364 123.180 122.820 -0.006 0.000 2.121 264 A HA 0.064 4.384 4.320 -0.000 0.000 0.218 264 A C 2.058 179.577 177.584 -0.108 0.000 1.154 264 A CA 1.116 53.131 52.037 -0.037 0.000 0.679 264 A CB -0.236 18.736 19.000 -0.046 0.000 0.795 264 A HN 0.604 nan 8.150 nan 0.000 0.458 265 K N -2.416 117.823 120.400 -0.268 0.000 2.308 265 K HA 0.150 4.470 4.320 -0.000 0.000 0.197 265 K C 0.852 177.194 176.600 -0.430 0.000 1.049 265 K CA 0.822 56.825 56.287 -0.474 0.000 0.991 265 K CB 0.160 32.134 32.500 -0.876 0.000 0.836 265 K HN 0.691 nan 8.250 nan 0.000 0.500 266 Y N -1.046 119.271 120.300 0.028 0.000 2.526 266 Y HA 0.070 4.620 4.550 -0.000 0.000 0.265 266 Y C 1.724 177.765 175.900 0.235 0.000 1.092 266 Y CA -0.642 57.503 58.100 0.075 0.000 1.277 266 Y CB 0.185 38.588 38.460 -0.095 0.000 1.228 266 Y HN -0.149 nan 8.280 nan 0.000 0.507 267 L N 1.531 123.018 121.223 0.439 0.000 1.978 267 L HA -0.316 4.024 4.340 -0.000 0.000 0.218 267 L C 1.445 178.450 176.870 0.227 0.000 1.075 267 L CA 2.190 57.238 54.840 0.346 0.000 0.767 267 L CB -0.931 41.267 42.059 0.231 0.000 0.890 267 L HN 0.244 nan 8.230 nan 0.000 0.434 268 N N -1.959 116.843 118.700 0.170 0.000 2.223 268 N HA -0.183 4.557 4.740 -0.000 0.000 0.185 268 N C 1.502 177.116 175.510 0.174 0.000 1.016 268 N CA 1.510 54.644 53.050 0.140 0.000 0.863 268 N CB -0.083 38.461 38.487 0.094 0.000 0.983 268 N HN 0.626 nan 8.380 nan 0.000 0.429 269 T N -1.071 113.603 114.554 0.201 0.000 2.812 269 T HA -0.058 4.292 4.350 -0.000 0.000 0.264 269 T C 1.307 176.146 174.700 0.232 0.000 1.042 269 T CA 0.950 63.178 62.100 0.212 0.000 1.140 269 T CB -0.193 68.805 68.868 0.215 0.000 0.870 269 T HN 0.021 nan 8.240 nan 0.000 0.445 270 D N 1.049 121.600 120.400 0.253 0.000 2.144 270 D HA 0.020 4.660 4.640 -0.000 0.000 0.200 270 D C 2.011 178.456 176.300 0.242 0.000 0.978 270 D CA 0.518 54.664 54.000 0.243 0.000 0.833 270 D CB -0.294 40.662 40.800 0.261 0.000 0.961 270 D HN 0.248 nan 8.370 nan 0.000 0.470 271 L N 1.303 122.669 121.223 0.237 0.000 2.056 271 L HA -0.113 4.227 4.340 -0.000 0.000 0.207 271 L C 1.746 178.819 176.870 0.339 0.000 1.078 271 L CA 1.669 56.672 54.840 0.271 0.000 0.749 271 L CB -0.849 41.343 42.059 0.221 0.000 0.901 271 L HN -0.112 nan 8.230 nan 0.000 0.433 272 N N -0.316 118.555 118.700 0.285 0.000 2.120 272 N HA -0.209 4.531 4.740 -0.000 0.000 0.188 272 N C 1.650 177.375 175.510 0.359 0.000 1.024 272 N CA 2.000 55.231 53.050 0.303 0.000 0.852 272 N CB -0.274 38.325 38.487 0.187 0.000 1.003 272 N HN 0.533 nan 8.380 nan 0.000 0.424 273 N N -0.635 118.251 118.700 0.310 0.000 2.166 273 N HA -0.104 4.636 4.740 -0.000 0.000 0.186 273 N C 1.594 177.308 175.510 0.340 0.000 1.019 273 N CA 0.946 54.189 53.050 0.322 0.000 0.856 273 N CB -0.144 38.508 38.487 0.274 0.000 0.993 273 N HN 0.334 nan 8.380 nan 0.000 0.426 274 A N 1.050 124.066 122.820 0.327 0.000 1.873 274 A HA -0.151 4.169 4.320 -0.000 0.000 0.215 274 A C 1.952 179.730 177.584 0.324 0.000 1.186 274 A CA 0.929 53.152 52.037 0.310 0.000 0.616 274 A CB -0.900 18.281 19.000 0.302 0.000 0.823 274 A HN 0.385 nan 8.150 nan 0.000 0.442 275 F N -0.341 119.771 119.950 0.271 0.000 2.065 275 F HA -0.240 4.287 4.527 -0.000 0.000 0.298 275 F C 2.230 178.173 175.800 0.238 0.000 1.112 275 F CA 1.969 60.104 58.000 0.224 0.000 1.212 275 F CB -0.591 38.592 39.000 0.306 0.000 0.975 275 F HN 0.529 nan 8.300 nan 0.000 0.476 276 W N 1.384 122.609 121.300 -0.124 0.000 2.335 276 W HA -0.249 4.411 4.660 -0.000 0.000 0.311 276 W C 2.167 178.614 176.519 -0.119 0.000 1.213 276 W CA 2.475 59.678 57.345 -0.237 0.000 1.274 276 W CB -0.815 28.598 29.460 -0.078 0.000 1.148 276 W HN 0.032 nan 8.180 nan 0.000 0.498 277 T N 1.299 115.900 114.554 0.079 0.000 2.665 277 T HA -0.284 4.066 4.350 -0.000 0.000 0.268 277 T C 1.769 176.411 174.700 -0.097 0.000 1.035 277 T CA 2.024 64.142 62.100 0.031 0.000 1.151 277 T CB -0.425 68.532 68.868 0.149 0.000 0.862 277 T HN 0.154 nan 8.240 nan 0.000 0.438 278 Q N 0.923 120.716 119.800 -0.012 0.000 1.990 278 Q HA -0.133 4.207 4.340 -0.000 0.000 0.200 278 Q C 2.585 178.524 176.000 -0.103 0.000 0.980 278 Q CA 1.806 57.662 55.803 0.089 0.000 0.832 278 Q CB -0.686 28.290 28.738 0.396 0.000 0.897 278 Q HN 0.775 nan 8.270 nan 0.000 0.427 279 Q N 1.114 120.801 119.800 -0.189 0.000 2.124 279 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 279 Q C 1.791 177.559 176.000 -0.386 0.000 0.977 279 Q CA 1.966 57.639 55.803 -0.218 0.000 0.850 279 Q CB -0.333 28.245 28.738 -0.267 0.000 0.901 279 Q HN 0.063 nan 8.270 nan 0.000 0.429 280 K N -0.467 119.557 120.400 -0.627 0.000 2.160 280 K HA -0.218 4.102 4.320 -0.000 0.000 0.206 280 K C 1.585 177.987 176.600 -0.329 0.000 1.047 280 K CA 1.627 57.564 56.287 -0.582 0.000 0.930 280 K CB -0.533 31.607 32.500 -0.600 0.000 0.720 280 K HN 0.540 nan 8.250 nan 0.000 0.450 281 Y N -1.218 118.786 120.300 -0.493 0.000 2.353 281 Y HA 0.101 4.651 4.550 -0.000 0.000 0.294 281 Y C 1.412 176.949 175.900 -0.604 0.000 1.135 281 Y CA 0.990 58.745 58.100 -0.575 0.000 1.176 281 Y CB -0.054 37.922 38.460 -0.806 0.000 1.124 281 Y HN -0.016 nan 8.280 nan 0.000 0.537 282 F N -0.059 119.643 119.950 -0.415 0.000 2.259 282 F HA -0.106 4.421 4.527 0.000 0.000 0.298 282 F C 2.415 178.044 175.800 -0.285 0.000 1.088 282 F CA 1.595 59.290 58.000 -0.508 0.000 1.358 282 F CB -1.275 37.256 39.000 -0.782 0.000 1.040 282 F HN -0.076 nan 8.300 nan 0.000 0.505 283 T N 1.417 116.002 114.554 0.050 0.000 2.699 283 T HA -0.132 4.218 4.350 -0.000 0.000 0.268 283 T C -0.383 174.395 174.700 0.131 0.000 1.036 283 T CA 1.955 64.265 62.100 0.350 0.000 1.147 283 T CB -1.142 67.852 68.868 0.210 0.000 0.862 283 T HN 0.219 nan 8.240 nan 0.000 0.446 284 P HA 0.216 nan 4.420 nan 0.000 0.226 284 P C 1.595 178.703 177.300 -0.319 0.000 1.160 284 P CA 0.424 63.436 63.100 -0.146 0.000 0.837 284 P CB 0.058 31.689 31.700 -0.115 0.000 0.860 285 V N 0.832 120.446 119.914 -0.499 0.000 2.379 285 V HA -0.166 3.954 4.120 -0.000 0.000 0.245 285 V C 2.824 178.564 176.094 -0.590 0.000 1.044 285 V CA 1.420 63.379 62.300 -0.569 0.000 1.036 285 V CB -1.137 30.153 31.823 -0.888 0.000 0.664 285 V HN -0.034 nan 8.190 nan 0.000 0.453 286 L N 0.378 121.201 121.223 -0.666 0.000 1.994 286 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 286 L C 2.725 178.684 176.870 -1.519 0.000 1.071 286 L CA 1.865 56.075 54.840 -1.049 0.000 0.745 286 L CB -1.314 40.202 42.059 -0.905 0.000 0.892 286 L HN 0.464 nan 8.230 nan 0.000 0.431 287 G N -0.270 107.392 108.800 -1.896 0.000 2.469 287 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.219 287 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.219 287 G C 1.635 176.145 174.900 -0.649 0.000 1.150 287 G CA 1.160 45.111 45.100 -1.915 0.000 0.763 287 G HN 0.282 nan 8.290 nan 0.000 0.561 288 M N -0.143 119.204 119.600 -0.422 0.000 2.067 288 M HA 0.058 4.538 4.480 -0.000 0.000 0.260 288 M C 2.525 178.718 176.300 -0.179 0.000 1.069 288 M CA 1.340 56.572 55.300 -0.113 0.000 1.117 288 M CB -0.199 32.314 32.600 -0.144 0.000 1.334 288 M HN 0.211 nan 8.290 nan 0.000 0.407 289 L N -0.528 120.450 121.223 -0.408 0.000 2.079 289 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 289 L C 2.324 178.998 176.870 -0.325 0.000 1.081 289 L CA 1.502 56.091 54.840 -0.418 0.000 0.752 289 L CB -0.754 40.965 42.059 -0.566 0.000 0.896 289 L HN 0.358 nan 8.230 nan 0.000 0.433 290 F N 0.295 119.904 119.950 -0.569 0.000 2.039 290 F HA -0.184 4.343 4.527 -0.000 0.000 0.294 290 F C 2.669 177.943 175.800 -0.877 0.000 1.130 290 F CA 0.890 58.285 58.000 -1.008 0.000 1.189 290 F CB -0.108 38.115 39.000 -1.295 0.000 0.983 290 F HN 0.056 nan 8.300 nan 0.000 0.471 291 E N -0.725 119.320 120.200 -0.258 0.000 2.107 291 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 291 E C 1.666 178.101 176.600 -0.276 0.000 0.982 291 E CA 1.229 57.522 56.400 -0.178 0.000 0.809 291 E CB -0.195 29.613 29.700 0.179 0.000 0.756 291 E HN 0.514 nan 8.360 nan 0.000 0.459 292 Y N -0.240 119.964 120.300 -0.160 0.000 2.510 292 Y HA 0.183 4.733 4.550 -0.000 0.000 0.273 292 Y C 2.262 178.009 175.900 -0.255 0.000 1.119 292 Y CA 0.516 58.413 58.100 -0.338 0.000 1.286 292 Y CB 0.422 38.262 38.460 -1.034 0.000 1.061 292 Y HN 0.012 nan 8.280 nan 0.000 0.542 293 G N -0.500 108.270 108.800 -0.049 0.000 3.233 293 G HA2 0.200 4.160 3.960 -0.000 0.000 0.227 293 G HA3 0.200 4.160 3.960 -0.000 0.000 0.227 293 G C 0.168 175.142 174.900 0.123 0.000 1.175 293 G CA 0.325 45.412 45.100 -0.022 0.000 0.781 293 G HN 0.259 nan 8.290 nan 0.000 0.542 294 S N -1.469 114.271 115.700 0.066 0.000 2.667 294 S HA 0.699 5.169 4.470 -0.000 0.000 0.292 294 S C 0.471 174.927 174.600 -0.240 0.000 1.126 294 S CA -0.687 57.561 58.200 0.079 0.000 0.881 294 S CB 2.670 66.010 63.200 0.233 0.000 1.132 294 S HN -0.032 nan 8.310 nan 0.000 0.492 295 K N 0.208 120.326 120.400 -0.469 0.000 2.266 295 K HA 0.438 4.758 4.320 -0.000 0.000 0.209 295 K C -0.572 175.583 176.600 -0.741 0.000 1.065 295 K CA 0.044 55.848 56.287 -0.804 0.000 0.946 295 K CB -0.497 31.125 32.500 -1.464 0.000 1.069 295 K HN 0.648 nan 8.250 nan 0.000 0.472 296 F N 2.377 122.126 119.950 -0.335 0.000 2.411 296 F HA 0.360 4.887 4.527 -0.000 0.000 0.350 296 F C 0.364 175.906 175.800 -0.429 0.000 1.114 296 F CA -1.010 56.774 58.000 -0.360 0.000 1.135 296 F CB 1.194 40.011 39.000 -0.306 0.000 1.120 296 F HN -0.242 nan 8.300 nan 0.000 0.495 297 K N 1.445 121.594 120.400 -0.419 0.000 2.087 297 K HA 0.444 4.764 4.320 -0.000 0.000 0.255 297 K C 0.283 176.403 176.600 -0.800 0.000 0.988 297 K CA -0.407 55.481 56.287 -0.665 0.000 0.915 297 K CB 1.447 33.313 32.500 -1.057 0.000 1.043 297 K HN 0.396 nan 8.250 nan 0.000 0.457 298 V N -0.287 118.828 119.914 -1.331 0.000 3.013 298 V HA 0.184 4.304 4.120 -0.000 0.000 0.238 298 V C -0.193 175.640 176.094 -0.434 0.000 1.161 298 V CA 0.394 62.083 62.300 -1.018 0.000 1.170 298 V CB 0.173 31.017 31.823 -1.632 0.000 0.917 298 V HN 0.863 nan 8.190 nan 0.000 0.478 299 E N 0.062 120.163 120.200 -0.165 0.000 2.472 299 E HA 0.243 4.593 4.350 -0.000 0.000 0.290 299 E C -3.114 173.758 176.600 0.455 0.000 1.059 299 E CA -1.417 55.072 56.400 0.149 0.000 0.861 299 E CB 2.229 31.962 29.700 0.055 0.000 1.213 299 E HN 0.041 nan 8.360 nan 0.000 0.425 300 P HA -0.059 nan 4.420 nan 0.000 0.264 300 P C 0.141 177.686 177.300 0.408 0.000 1.193 300 P CA -0.080 63.277 63.100 0.428 0.000 0.763 300 P CB 0.254 31.939 31.700 -0.025 0.000 0.810 301 W N 4.986 126.486 121.300 0.334 0.000 2.342 301 W HA -0.204 4.456 4.660 -0.000 0.000 0.297 301 W C 1.538 178.093 176.519 0.060 0.000 1.213 301 W CA 1.563 58.982 57.345 0.124 0.000 1.251 301 W CB -0.298 29.102 29.460 -0.099 0.000 1.136 301 W HN 0.195 nan 8.180 nan 0.000 0.526 302 V N 1.768 121.708 119.914 0.043 0.000 2.332 302 V HA -0.326 3.794 4.120 -0.000 0.000 0.248 302 V C 2.414 178.442 176.094 -0.111 0.000 1.055 302 V CA 2.859 65.098 62.300 -0.102 0.000 1.038 302 V CB -0.744 31.041 31.823 -0.063 0.000 0.651 302 V HN 0.239 nan 8.190 nan 0.000 0.450 303 K N -0.565 119.781 120.400 -0.089 0.000 2.025 303 K HA -0.153 4.167 4.320 -0.000 0.000 0.207 303 K C 2.166 178.676 176.600 -0.148 0.000 1.049 303 K CA 2.129 58.370 56.287 -0.077 0.000 0.933 303 K CB -0.511 31.962 32.500 -0.046 0.000 0.714 303 K HN 0.614 nan 8.250 nan 0.000 0.438 304 T N 0.220 114.624 114.554 -0.251 0.000 2.652 304 T HA -0.212 4.138 4.350 -0.000 0.000 0.267 304 T C 1.213 175.366 174.700 -0.911 0.000 1.039 304 T CA 1.684 63.455 62.100 -0.548 0.000 1.153 304 T CB -0.534 68.011 68.868 -0.539 0.000 0.863 304 T HN 0.528 nan 8.240 nan 0.000 0.428 305 W N 2.005 122.576 121.300 -1.214 0.000 2.335 305 W HA -0.193 4.467 4.660 0.000 0.000 0.311 305 W C 2.124 178.450 176.519 -0.322 0.000 1.213 305 W CA 1.674 58.441 57.345 -0.964 0.000 1.274 305 W CB -0.427 28.421 29.460 -1.020 0.000 1.148 305 W HN 0.220 nan 8.180 nan 0.000 0.498 306 D N -0.427 120.048 120.400 0.125 0.000 2.149 306 D HA -0.238 4.402 4.640 -0.000 0.000 0.198 306 D C 2.226 178.555 176.300 0.048 0.000 0.990 306 D CA 1.637 55.729 54.000 0.153 0.000 0.839 306 D CB -0.323 40.545 40.800 0.114 0.000 0.948 306 D HN 0.169 nan 8.370 nan 0.000 0.460 307 R N -1.021 119.482 120.500 0.005 0.000 2.062 307 R HA -0.107 4.233 4.340 -0.000 0.000 0.229 307 R C 2.060 178.491 176.300 0.218 0.000 1.128 307 R CA 1.206 57.372 56.100 0.110 0.000 0.960 307 R CB -0.280 30.097 30.300 0.129 0.000 0.855 307 R HN 0.194 nan 8.270 nan 0.000 0.432 308 W N 0.163 121.396 121.300 -0.111 0.000 2.353 308 W HA -0.103 4.557 4.660 0.000 0.000 0.319 308 W C 2.164 178.561 176.519 -0.203 0.000 1.207 308 W CA 0.505 57.757 57.345 -0.156 0.000 1.291 308 W CB -1.154 28.177 29.460 -0.215 0.000 1.159 308 W HN -0.073 nan 8.180 nan 0.000 0.478 309 V N -1.228 118.584 119.914 -0.170 0.000 2.453 309 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 309 V C 1.814 177.933 176.094 0.042 0.000 1.048 309 V CA 1.618 63.775 62.300 -0.239 0.000 1.049 309 V CB -1.001 30.295 31.823 -0.878 0.000 0.672 309 V HN 0.038 nan 8.190 nan 0.000 0.457 310 Y N 0.359 120.603 120.300 -0.093 0.000 2.266 310 Y HA 0.047 4.597 4.550 -0.000 0.000 0.294 310 Y C 2.662 178.589 175.900 0.045 0.000 1.127 310 Y CA 0.959 59.070 58.100 0.020 0.000 1.140 310 Y CB -0.054 38.444 38.460 0.063 0.000 1.071 310 Y HN 0.207 nan 8.280 nan 0.000 0.525 311 E N 0.138 120.469 120.200 0.218 0.000 2.005 311 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 311 E C 1.502 178.177 176.600 0.124 0.000 0.987 311 E CA 1.430 57.919 56.400 0.149 0.000 0.814 311 E CB -0.415 29.369 29.700 0.140 0.000 0.772 311 E HN 0.436 nan 8.360 nan 0.000 0.453 312 D N 0.223 120.713 120.400 0.151 0.000 2.078 312 D HA -0.150 4.490 4.640 -0.000 0.000 0.193 312 D C 1.740 178.158 176.300 0.198 0.000 0.990 312 D CA 1.002 55.093 54.000 0.151 0.000 0.827 312 D CB -0.507 40.371 40.800 0.130 0.000 0.975 312 D HN 0.193 nan 8.370 nan 0.000 0.451 313 W N 1.475 122.776 121.300 0.000 0.000 2.558 313 W HA 0.162 4.822 4.660 -0.000 0.000 0.317 313 W C 2.483 179.020 176.519 0.031 0.000 1.139 313 W CA 1.699 59.058 57.345 0.023 0.000 1.408 313 W CB -0.826 28.558 29.460 -0.128 0.000 1.184 313 W HN 0.004 nan 8.180 nan 0.000 0.481 314 G N -0.230 108.601 108.800 0.051 0.000 2.527 314 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.219 314 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.219 314 G C 1.260 175.992 174.900 -0.279 0.000 1.117 314 G CA 1.205 46.136 45.100 -0.282 0.000 0.759 314 G HN 0.527 nan 8.290 nan 0.000 0.556 315 G N 0.081 108.796 108.800 -0.142 0.000 2.834 315 G HA2 0.146 4.106 3.960 -0.000 0.000 0.204 315 G HA3 0.146 4.106 3.960 -0.000 0.000 0.204 315 G C 1.535 176.385 174.900 -0.082 0.000 1.176 315 G CA 0.267 45.307 45.100 -0.100 0.000 0.818 315 G HN 0.258 nan 8.290 nan 0.000 0.638 316 I N -0.290 120.272 120.570 -0.013 0.000 2.277 316 I HA -0.046 4.124 4.170 -0.000 0.000 0.243 316 I C 2.511 178.636 176.117 0.014 0.000 1.094 316 I CA 0.788 62.098 61.300 0.015 0.000 1.393 316 I CB -0.343 37.703 38.000 0.077 0.000 1.078 316 I HN 0.365 nan 8.210 nan 0.000 0.417 317 W N 2.638 123.841 121.300 -0.163 0.000 2.378 317 W HA -0.148 4.512 4.660 -0.000 0.000 0.313 317 W C 2.238 178.592 176.519 -0.275 0.000 1.197 317 W CA 1.432 58.663 57.345 -0.190 0.000 1.304 317 W CB -0.061 29.266 29.460 -0.221 0.000 1.148 317 W HN 0.017 nan 8.180 nan 0.000 0.494 318 I N 0.696 120.982 120.570 -0.474 0.000 2.761 318 I HA -0.072 4.098 4.170 -0.000 0.000 0.261 318 I C 2.632 178.537 176.117 -0.353 0.000 1.198 318 I CA 1.074 62.060 61.300 -0.523 0.000 1.482 318 I CB -1.274 36.358 38.000 -0.614 0.000 1.100 318 I HN -0.034 nan 8.210 nan 0.000 0.445 319 G N 1.436 110.073 108.800 -0.272 0.000 2.408 319 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.217 319 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.217 319 G C 1.817 176.609 174.900 -0.180 0.000 1.150 319 G CA 0.211 45.197 45.100 -0.189 0.000 0.776 319 G HN 0.306 nan 8.290 nan 0.000 0.542 320 R N -0.286 120.089 120.500 -0.208 0.000 2.235 320 R HA 0.179 4.519 4.340 -0.000 0.000 0.213 320 R C 1.839 178.059 176.300 -0.134 0.000 1.059 320 R CA 0.308 56.313 56.100 -0.157 0.000 0.997 320 R CB -0.167 30.041 30.300 -0.153 0.000 0.884 320 R HN 0.358 nan 8.270 nan 0.000 0.462 321 L N -0.665 120.426 121.223 -0.220 0.000 2.607 321 L HA 0.176 4.516 4.340 -0.000 0.000 0.228 321 L C 2.102 178.919 176.870 -0.088 0.000 1.123 321 L CA -0.100 54.661 54.840 -0.132 0.000 0.890 321 L CB 0.197 42.076 42.059 -0.299 0.000 1.103 321 L HN 0.206 nan 8.230 nan 0.000 0.468 322 G N 1.393 110.106 108.800 -0.144 0.000 2.432 322 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.219 322 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.219 322 G C 1.574 176.385 174.900 -0.148 0.000 1.135 322 G CA 0.720 45.741 45.100 -0.131 0.000 0.767 322 G HN 0.535 nan 8.290 nan 0.000 0.550 323 K N -0.584 119.676 120.400 -0.233 0.000 2.515 323 K HA 0.004 4.324 4.320 -0.000 0.000 0.196 323 K C 1.001 177.326 176.600 -0.458 0.000 1.038 323 K CA 0.685 56.760 56.287 -0.354 0.000 0.967 323 K CB -0.259 31.965 32.500 -0.460 0.000 0.780 323 K HN 0.444 nan 8.250 nan 0.000 0.483 324 Y N 0.259 120.484 120.300 -0.127 0.000 2.524 324 Y HA 0.249 4.799 4.550 -0.000 0.000 0.266 324 Y C 1.295 177.140 175.900 -0.091 0.000 1.180 324 Y CA 0.048 58.076 58.100 -0.120 0.000 1.244 324 Y CB 1.298 39.651 38.460 -0.179 0.000 1.125 324 Y HN 0.357 nan 8.280 nan 0.000 0.524 325 G N -0.091 108.712 108.800 0.005 0.000 2.176 325 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.232 325 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.232 325 G C -0.081 174.817 174.900 -0.004 0.000 0.986 325 G CA 0.004 45.104 45.100 0.000 0.000 0.643 325 G HN 0.076 nan 8.290 nan 0.000 0.522 326 V N 1.224 121.128 119.914 -0.016 0.000 2.614 326 V HA 0.524 4.644 4.120 -0.000 0.000 0.291 326 V C 0.540 176.589 176.094 -0.074 0.000 1.049 326 V CA 0.193 62.467 62.300 -0.042 0.000 1.038 326 V CB 1.401 33.176 31.823 -0.080 0.000 0.980 326 V HN 0.436 nan 8.190 nan 0.000 0.481 327 E N 1.611 121.771 120.200 -0.066 0.000 2.359 327 E HA 0.419 4.769 4.350 -0.000 0.000 0.266 327 E C -0.757 175.772 176.600 -0.120 0.000 0.920 327 E CA -0.779 55.570 56.400 -0.085 0.000 0.788 327 E CB 1.947 31.620 29.700 -0.045 0.000 1.279 327 E HN 0.598 nan 8.360 nan 0.000 0.438 328 S N 1.412 117.024 115.700 -0.148 0.000 2.549 328 S HA 0.129 4.599 4.470 -0.000 0.000 0.286 328 S C -2.270 172.248 174.600 -0.137 0.000 1.314 328 S CA -1.063 57.015 58.200 -0.202 0.000 1.062 328 S CB 0.031 63.112 63.200 -0.199 0.000 0.865 328 S HN 0.148 nan 8.310 nan 0.000 0.498 329 P HA 0.088 nan 4.420 nan 0.000 0.261 329 P C 0.522 177.781 177.300 -0.068 0.000 1.183 329 P CA -0.135 62.918 63.100 -0.079 0.000 0.761 329 P CB 0.342 31.941 31.700 -0.168 0.000 0.785 330 R N 1.877 122.369 120.500 -0.014 0.000 2.152 330 R HA -0.105 4.235 4.340 -0.000 0.000 0.232 330 R C 1.333 177.610 176.300 -0.038 0.000 1.117 330 R CA 1.891 58.007 56.100 0.027 0.000 0.981 330 R CB -0.975 29.401 30.300 0.127 0.000 0.870 330 R HN 0.430 nan 8.270 nan 0.000 0.451 331 S N 0.666 116.165 115.700 -0.334 0.000 2.650 331 S HA 0.013 4.483 4.470 -0.000 0.000 0.219 331 S C 1.705 176.398 174.600 0.154 0.000 0.960 331 S CA 0.042 57.874 58.200 -0.614 0.000 0.925 331 S CB 0.043 62.268 63.200 -1.625 0.000 0.775 331 S HN 0.297 nan 8.310 nan 0.000 0.525 332 L N 2.050 123.374 121.223 0.167 0.000 2.012 332 L HA -0.049 4.291 4.340 -0.000 0.000 0.210 332 L C 2.214 179.351 176.870 0.444 0.000 1.073 332 L CA 1.826 56.815 54.840 0.247 0.000 0.748 332 L CB -0.742 41.255 42.059 -0.102 0.000 0.891 332 L HN 0.205 nan 8.230 nan 0.000 0.431 333 K N -0.720 119.892 120.400 0.354 0.000 2.057 333 K HA -0.175 4.145 4.320 -0.000 0.000 0.207 333 K C 1.971 178.836 176.600 0.441 0.000 1.049 333 K CA 1.472 58.004 56.287 0.407 0.000 0.931 333 K CB -0.368 32.314 32.500 0.303 0.000 0.714 333 K HN 0.453 nan 8.250 nan 0.000 0.440 334 D N 0.722 121.399 120.400 0.461 0.000 2.092 334 D HA -0.161 4.479 4.640 -0.000 0.000 0.193 334 D C 1.940 178.609 176.300 0.615 0.000 0.994 334 D CA 1.467 55.783 54.000 0.526 0.000 0.828 334 D CB -0.034 41.136 40.800 0.616 0.000 0.963 334 D HN 0.171 nan 8.370 nan 0.000 0.450 335 A N 1.255 124.550 122.820 0.791 0.000 1.927 335 A HA -0.259 4.061 4.320 -0.000 0.000 0.220 335 A C 2.108 179.976 177.584 0.473 0.000 1.185 335 A CA 2.055 54.504 52.037 0.687 0.000 0.639 335 A CB -0.561 18.957 19.000 0.864 0.000 0.820 335 A HN 0.195 nan 8.150 nan 0.000 0.451 336 K N -0.322 120.424 120.400 0.578 0.000 2.057 336 K HA -0.232 4.088 4.320 -0.000 0.000 0.206 336 K C 2.378 179.054 176.600 0.127 0.000 1.050 336 K CA 1.683 58.174 56.287 0.339 0.000 0.935 336 K CB -0.205 32.605 32.500 0.517 0.000 0.715 336 K HN 0.775 nan 8.250 nan 0.000 0.439 337 Q N -0.202 119.738 119.800 0.234 0.000 2.230 337 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 337 Q C 0.664 176.791 176.000 0.212 0.000 0.963 337 Q CA 1.608 57.529 55.803 0.198 0.000 0.866 337 Q CB 0.185 29.055 28.738 0.221 0.000 0.931 337 Q HN 0.186 nan 8.270 nan 0.000 0.452 338 D N 0.152 120.694 120.400 0.238 0.000 2.340 338 D HA 0.143 4.783 4.640 -0.000 0.000 0.220 338 D C 1.241 177.627 176.300 0.143 0.000 1.039 338 D CA 0.717 54.861 54.000 0.240 0.000 0.866 338 D CB 0.547 41.535 40.800 0.314 0.000 0.913 338 D HN 0.448 nan 8.370 nan 0.000 0.523 339 A N 0.041 122.858 122.820 -0.005 0.000 1.878 339 A HA -0.142 4.178 4.320 -0.000 0.000 0.213 339 A C 1.990 179.537 177.584 -0.062 0.000 1.192 339 A CA 0.496 52.398 52.037 -0.226 0.000 0.619 339 A CB -0.888 17.566 19.000 -0.911 0.000 0.837 339 A HN 0.167 nan 8.150 nan 0.000 0.446 340 Y N -0.696 119.521 120.300 -0.138 0.000 2.073 340 Y HA -0.357 4.193 4.550 -0.000 0.000 0.270 340 Y C 1.848 177.731 175.900 -0.028 0.000 1.226 340 Y CA 2.553 60.573 58.100 -0.133 0.000 1.117 340 Y CB -0.433 37.865 38.460 -0.268 0.000 0.939 340 Y HN 0.514 nan 8.280 nan 0.000 0.504 341 W N -2.155 119.333 121.300 0.314 0.000 3.177 341 W HA 0.366 5.026 4.660 0.000 0.000 0.309 341 W C 2.253 178.858 176.519 0.144 0.000 1.224 341 W CA 0.361 57.862 57.345 0.260 0.000 1.718 341 W CB -0.502 29.173 29.460 0.359 0.000 1.078 341 W HN 0.071 nan 8.180 nan 0.000 0.618 342 A N 1.416 124.438 122.820 0.338 0.000 1.896 342 A HA -0.371 3.949 4.320 -0.000 0.000 0.220 342 A C 1.616 179.289 177.584 0.148 0.000 1.206 342 A CA 2.658 54.828 52.037 0.223 0.000 0.647 342 A CB -1.519 17.563 19.000 0.136 0.000 0.828 342 A HN 0.681 nan 8.150 nan 0.000 0.455 343 H N -3.086 115.930 119.070 -0.091 0.000 2.457 343 H HA -0.043 4.513 4.556 0.000 0.000 0.294 343 H C 1.860 177.077 175.328 -0.185 0.000 1.064 343 H CA 1.413 57.339 56.048 -0.204 0.000 1.330 343 H CB -0.501 29.061 29.762 -0.333 0.000 1.395 343 H HN 0.715 nan 8.280 nan 0.000 0.541 344 H N 0.311 119.121 119.070 -0.434 0.000 2.395 344 H HA -0.069 4.487 4.556 -0.000 0.000 0.299 344 H C 1.491 176.714 175.328 -0.174 0.000 1.070 344 H CA 0.962 56.701 56.048 -0.516 0.000 1.356 344 H CB 0.191 29.425 29.762 -0.879 0.000 1.401 344 H HN 0.393 nan 8.280 nan 0.000 0.524 345 D N 0.438 120.979 120.400 0.234 0.000 2.144 345 D HA -0.126 4.514 4.640 -0.000 0.000 0.199 345 D C 2.085 178.527 176.300 0.237 0.000 0.984 345 D CA 0.598 54.812 54.000 0.357 0.000 0.834 345 D CB -0.205 40.792 40.800 0.329 0.000 0.955 345 D HN 0.189 nan 8.370 nan 0.000 0.465 346 L N -0.311 120.992 121.223 0.134 0.000 2.072 346 L HA -0.126 4.214 4.340 -0.000 0.000 0.205 346 L C 2.131 179.043 176.870 0.070 0.000 1.079 346 L CA 1.356 56.248 54.840 0.087 0.000 0.752 346 L CB -0.735 41.333 42.059 0.015 0.000 0.906 346 L HN -0.012 nan 8.230 nan 0.000 0.436 347 Y N -0.331 119.883 120.300 -0.144 0.000 2.207 347 Y HA -0.258 4.292 4.550 -0.000 0.000 0.287 347 Y C 2.319 178.284 175.900 0.109 0.000 1.156 347 Y CA 1.695 59.672 58.100 -0.205 0.000 1.182 347 Y CB -0.280 37.684 38.460 -0.825 0.000 0.979 347 Y HN 0.157 nan 8.280 nan 0.000 0.521 348 L N -0.754 120.611 121.223 0.236 0.000 2.043 348 L HA -0.304 4.036 4.340 -0.000 0.000 0.212 348 L C 2.317 179.406 176.870 0.365 0.000 1.075 348 L CA 1.573 56.659 54.840 0.409 0.000 0.752 348 L CB -0.606 41.683 42.059 0.383 0.000 0.891 348 L HN 0.312 nan 8.230 nan 0.000 0.432 349 L N -1.128 120.193 121.223 0.163 0.000 2.072 349 L HA -0.109 4.231 4.340 -0.000 0.000 0.205 349 L C 2.858 179.692 176.870 -0.060 0.000 1.079 349 L CA 0.965 55.788 54.840 -0.028 0.000 0.752 349 L CB -0.853 41.201 42.059 -0.008 0.000 0.906 349 L HN 0.195 nan 8.230 nan 0.000 0.436 350 A N -0.415 122.374 122.820 -0.052 0.000 1.902 350 A HA -0.282 4.038 4.320 -0.000 0.000 0.217 350 A C 2.214 179.728 177.584 -0.115 0.000 1.181 350 A CA 1.607 53.599 52.037 -0.074 0.000 0.623 350 A CB -0.847 18.110 19.000 -0.072 0.000 0.818 350 A HN 0.459 nan 8.150 nan 0.000 0.443 351 Y N 0.220 120.326 120.300 -0.323 0.000 2.263 351 Y HA 0.067 4.617 4.550 -0.000 0.000 0.292 351 Y C 2.627 178.494 175.900 -0.054 0.000 1.130 351 Y CA 0.925 58.900 58.100 -0.209 0.000 1.179 351 Y CB -0.323 37.993 38.460 -0.241 0.000 0.998 351 Y HN 0.308 nan 8.280 nan 0.000 0.532 352 A N 0.028 122.839 122.820 -0.015 0.000 1.933 352 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 352 A C 1.737 179.099 177.584 -0.370 0.000 1.175 352 A CA 1.624 53.498 52.037 -0.271 0.000 0.628 352 A CB -0.917 17.905 19.000 -0.296 0.000 0.814 352 A HN 0.475 nan 8.150 nan 0.000 0.444 353 L N 0.424 121.472 121.223 -0.291 0.000 2.848 353 L HA 0.049 4.389 4.340 -0.000 0.000 0.240 353 L C 1.889 178.537 176.870 -0.369 0.000 1.232 353 L CA -0.493 54.160 54.840 -0.312 0.000 1.031 353 L CB -0.447 41.522 42.059 -0.151 0.000 1.338 353 L HN 0.830 nan 8.230 nan 0.000 0.509 354 W N 0.470 121.499 121.300 -0.452 0.000 2.313 354 W HA -0.137 4.523 4.660 -0.000 0.000 0.293 354 W C -1.371 174.862 176.519 -0.476 0.000 1.216 354 W CA 0.665 57.700 57.345 -0.516 0.000 1.223 354 W CB -2.070 26.941 29.460 -0.748 0.000 1.138 354 W HN 0.210 nan 8.180 nan 0.000 0.535 355 P HA -0.078 nan 4.420 nan 0.000 0.234 355 P C 1.553 178.575 177.300 -0.463 0.000 1.167 355 P CA 2.627 65.121 63.100 -1.011 0.000 0.763 355 P CB -0.377 30.542 31.700 -1.301 0.000 0.835 356 T N -4.897 109.451 114.554 -0.342 0.000 3.122 356 T HA 0.333 4.683 4.350 -0.000 0.000 0.250 356 T C 0.974 175.578 174.700 -0.160 0.000 1.067 356 T CA -0.220 61.777 62.100 -0.171 0.000 0.966 356 T CB -0.292 68.544 68.868 -0.054 0.000 1.002 356 T HN -0.035 nan 8.240 nan 0.000 0.542 357 G N 1.167 109.754 108.800 -0.355 0.000 2.568 357 G HA2 0.546 4.506 3.960 -0.000 0.000 0.293 357 G HA3 0.546 4.506 3.960 -0.000 0.000 0.293 357 G C -0.306 174.288 174.900 -0.510 0.000 1.347 357 G CA -1.245 43.440 45.100 -0.691 0.000 1.039 357 G HN 0.513 nan 8.290 nan 0.000 0.523 358 F N -1.526 117.937 119.950 -0.812 0.000 2.810 358 F HA 0.607 5.134 4.527 -0.000 0.000 0.353 358 F C -0.869 174.809 175.800 -0.204 0.000 1.227 358 F CA -1.519 56.293 58.000 -0.313 0.000 1.210 358 F CB 0.049 39.001 39.000 -0.079 0.000 1.039 358 F HN 0.289 nan 8.300 nan 0.000 0.509 359 F N -1.331 118.408 119.950 -0.351 0.000 2.693 359 F HA 0.740 5.267 4.527 -0.000 0.000 0.309 359 F C -0.829 174.827 175.800 -0.240 0.000 1.129 359 F CA -2.266 55.513 58.000 -0.368 0.000 0.948 359 F CB 1.118 39.761 39.000 -0.596 0.000 1.315 359 F HN -0.213 nan 8.300 nan 0.000 0.447 360 R N 1.882 122.375 120.500 -0.013 0.000 2.265 360 R HA 0.724 5.064 4.340 -0.000 0.000 0.319 360 R C -1.088 175.228 176.300 0.026 0.000 1.006 360 R CA -0.558 55.492 56.100 -0.084 0.000 0.880 360 R CB 1.292 31.515 30.300 -0.128 0.000 1.077 360 R HN 0.610 nan 8.270 nan 0.000 0.454 361 L N 1.632 122.857 121.223 0.004 0.000 2.334 361 L HA 0.796 5.136 4.340 -0.000 0.000 0.270 361 L C -0.038 176.959 176.870 0.211 0.000 1.018 361 L CA -1.034 53.913 54.840 0.177 0.000 0.811 361 L CB 1.859 44.073 42.059 0.259 0.000 1.271 361 L HN 0.675 nan 8.230 nan 0.000 0.443 362 A N 2.137 125.151 122.820 0.324 0.000 2.435 362 A HA 0.734 5.054 4.320 -0.000 0.000 0.304 362 A C -0.914 176.797 177.584 0.211 0.000 1.064 362 A CA -0.594 51.598 52.037 0.258 0.000 0.727 362 A CB 1.329 20.429 19.000 0.168 0.000 1.284 362 A HN 0.606 nan 8.150 nan 0.000 0.415 363 L N 1.868 123.132 121.223 0.069 0.000 2.395 363 L HA 0.327 4.667 4.340 -0.000 0.000 0.269 363 L C -2.013 174.852 176.870 -0.008 0.000 1.133 363 L CA -1.766 52.998 54.840 -0.128 0.000 0.812 363 L CB 0.893 42.866 42.059 -0.143 0.000 1.125 363 L HN 0.460 nan 8.230 nan 0.000 0.452 364 P HA -0.013 nan 4.420 nan 0.000 0.263 364 P C -1.144 176.226 177.300 0.117 0.000 1.195 364 P CA -0.243 62.926 63.100 0.115 0.000 0.762 364 P CB 0.228 32.112 31.700 0.307 0.000 0.799 365 D N 1.268 121.705 120.400 0.063 0.000 2.398 365 D HA 0.006 4.646 4.640 -0.000 0.000 0.247 365 D C 1.170 177.525 176.300 0.091 0.000 1.227 365 D CA -0.389 53.649 54.000 0.063 0.000 0.980 365 D CB 0.355 41.165 40.800 0.016 0.000 1.106 365 D HN 0.394 nan 8.370 nan 0.000 0.493 366 Q N -0.518 119.336 119.800 0.090 0.000 2.096 366 Q HA -0.275 4.065 4.340 -0.000 0.000 0.204 366 Q C 1.775 177.822 176.000 0.078 0.000 0.982 366 Q CA 1.697 57.563 55.803 0.105 0.000 0.850 366 Q CB -0.060 28.726 28.738 0.082 0.000 0.901 366 Q HN 0.678 nan 8.270 nan 0.000 0.422 367 E N -0.054 120.167 120.200 0.034 0.000 2.097 367 E HA -0.240 4.110 4.350 -0.000 0.000 0.196 367 E C 1.798 178.401 176.600 0.005 0.000 1.000 367 E CA 1.600 58.007 56.400 0.013 0.000 0.804 367 E CB 0.087 29.771 29.700 -0.027 0.000 0.740 367 E HN 0.476 nan 8.360 nan 0.000 0.454 368 E N -0.247 119.930 120.200 -0.039 0.000 2.072 368 E HA -0.154 4.196 4.350 -0.000 0.000 0.190 368 E C 2.159 178.756 176.600 -0.005 0.000 0.982 368 E CA 0.917 57.246 56.400 -0.119 0.000 0.803 368 E CB -0.051 29.542 29.700 -0.178 0.000 0.755 368 E HN 0.331 nan 8.360 nan 0.000 0.453 369 M N 0.617 120.298 119.600 0.136 0.000 2.159 369 M HA -0.181 4.299 4.480 -0.000 0.000 0.263 369 M C 1.973 178.382 176.300 0.180 0.000 1.063 369 M CA 1.446 56.885 55.300 0.230 0.000 1.110 369 M CB -0.302 32.589 32.600 0.484 0.000 1.374 369 M HN 0.100 nan 8.290 nan 0.000 0.411 370 E N -0.668 119.614 120.200 0.137 0.000 2.077 370 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 370 E C 1.667 178.316 176.600 0.082 0.000 0.989 370 E CA 1.373 57.835 56.400 0.103 0.000 0.800 370 E CB -0.207 29.538 29.700 0.074 0.000 0.746 370 E HN 0.583 nan 8.360 nan 0.000 0.452 371 W N 0.744 121.962 121.300 -0.137 0.000 2.355 371 W HA -0.186 4.474 4.660 -0.000 0.000 0.309 371 W C 1.710 178.109 176.519 -0.199 0.000 1.206 371 W CA 1.545 58.765 57.345 -0.209 0.000 1.284 371 W CB -0.495 28.753 29.460 -0.353 0.000 1.145 371 W HN -0.029 nan 8.180 nan 0.000 0.502 372 F N 0.664 120.550 119.950 -0.107 0.000 2.069 372 F HA -0.271 4.256 4.527 -0.000 0.000 0.298 372 F C 2.538 178.206 175.800 -0.220 0.000 1.113 372 F CA 1.807 59.533 58.000 -0.456 0.000 1.214 372 F CB -0.825 37.248 39.000 -1.545 0.000 0.978 372 F HN -0.114 nan 8.300 nan 0.000 0.474 373 E N 0.771 121.075 120.200 0.173 0.000 2.077 373 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 373 E C 2.045 178.729 176.600 0.139 0.000 0.989 373 E CA 1.386 57.980 56.400 0.324 0.000 0.800 373 E CB -0.402 29.509 29.700 0.352 0.000 0.746 373 E HN 0.273 nan 8.360 nan 0.000 0.452 374 A N 0.575 123.385 122.820 -0.018 0.000 1.933 374 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 374 A C 1.968 179.424 177.584 -0.214 0.000 1.175 374 A CA 1.773 53.743 52.037 -0.111 0.000 0.628 374 A CB -0.486 18.410 19.000 -0.172 0.000 0.814 374 A HN 0.300 nan 8.150 nan 0.000 0.444 375 N N -2.080 116.387 118.700 -0.387 0.000 2.392 375 N HA 0.063 4.803 4.740 -0.000 0.000 0.177 375 N C -0.826 174.313 175.510 -0.618 0.000 1.066 375 N CA 0.563 53.257 53.050 -0.593 0.000 0.895 375 N CB 0.307 38.188 38.487 -1.010 0.000 0.988 375 N HN 0.546 nan 8.380 nan 0.000 0.457 376 Y N 0.488 120.765 120.300 -0.039 0.000 2.662 376 Y HA 0.381 4.931 4.550 -0.000 0.000 0.358 376 Y C -2.452 173.671 175.900 0.371 0.000 1.041 376 Y CA -2.233 55.932 58.100 0.108 0.000 1.184 376 Y CB 1.169 39.638 38.460 0.015 0.000 1.114 376 Y HN -0.147 nan 8.280 nan 0.000 0.650 377 P HA 0.026 nan 4.420 nan 0.000 0.258 377 P C 1.008 178.649 177.300 0.569 0.000 1.172 377 P CA 1.991 65.327 63.100 0.394 0.000 0.762 377 P CB 0.529 32.381 31.700 0.253 0.000 0.764 378 G N 2.484 111.574 108.800 0.483 0.000 2.195 378 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.224 378 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.224 378 G C 0.868 176.000 174.900 0.387 0.000 0.990 378 G CA 0.067 45.398 45.100 0.385 0.000 0.639 378 G HN 0.538 nan 8.290 nan 0.000 0.514 379 W N 0.467 122.040 121.300 0.456 0.000 2.338 379 W HA -0.040 4.620 4.660 0.000 0.000 0.304 379 W C 2.124 178.812 176.519 0.283 0.000 1.212 379 W CA 2.547 60.144 57.345 0.420 0.000 1.264 379 W CB -0.347 29.324 29.460 0.352 0.000 1.142 379 W HN 0.376 nan 8.180 nan 0.000 0.512 380 Y N 1.502 122.046 120.300 0.407 0.000 2.089 380 Y HA -0.285 4.265 4.550 -0.000 0.000 0.282 380 Y C 2.321 178.156 175.900 -0.108 0.000 1.139 380 Y CA 2.504 60.703 58.100 0.165 0.000 1.123 380 Y CB -0.757 37.881 38.460 0.297 0.000 0.980 380 Y HN -0.136 nan 8.280 nan 0.000 0.493 381 D N -1.307 119.045 120.400 -0.080 0.000 2.315 381 D HA -0.201 4.439 4.640 -0.000 0.000 0.211 381 D C 1.240 177.314 176.300 -0.376 0.000 0.977 381 D CA 1.819 55.693 54.000 -0.210 0.000 0.894 381 D CB -0.090 40.697 40.800 -0.022 0.000 0.910 381 D HN 0.555 nan 8.370 nan 0.000 0.490 382 H N -1.116 117.579 119.070 -0.626 0.000 2.356 382 H HA 0.042 4.598 4.556 -0.000 0.000 0.306 382 H C 1.626 176.305 175.328 -1.083 0.000 1.142 382 H CA 0.657 56.194 56.048 -0.853 0.000 1.673 382 H CB -0.294 28.823 29.762 -1.074 0.000 1.505 382 H HN -0.075 nan 8.280 nan 0.000 0.638 383 Y N 0.198 119.814 120.300 -1.141 0.000 2.163 383 Y HA 0.006 4.556 4.550 0.000 0.000 0.288 383 Y C 2.790 177.803 175.900 -1.479 0.000 1.136 383 Y CA 1.077 58.288 58.100 -1.481 0.000 1.147 383 Y CB -0.848 36.719 38.460 -1.489 0.000 0.987 383 Y HN 0.406 nan 8.280 nan 0.000 0.509 384 G N 0.603 108.596 108.800 -1.344 0.000 2.514 384 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.217 384 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.217 384 G C 1.605 176.074 174.900 -0.718 0.000 1.198 384 G CA 1.391 46.017 45.100 -0.791 0.000 0.780 384 G HN 0.336 nan 8.290 nan 0.000 0.565 385 K N -0.097 119.711 120.400 -0.986 0.000 2.103 385 K HA 0.019 4.339 4.320 -0.000 0.000 0.207 385 K C 2.478 178.692 176.600 -0.644 0.000 1.048 385 K CA 0.985 56.847 56.287 -0.708 0.000 0.930 385 K CB -0.229 31.896 32.500 -0.624 0.000 0.716 385 K HN 0.370 nan 8.250 nan 0.000 0.444 386 I N -0.088 119.925 120.570 -0.928 0.000 2.202 386 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 386 I C 1.977 177.308 176.117 -1.310 0.000 1.091 386 I CA 1.469 62.014 61.300 -1.258 0.000 1.368 386 I CB -0.357 36.615 38.000 -1.713 0.000 1.058 386 I HN 0.169 nan 8.210 nan 0.000 0.410 387 Y N 1.032 120.788 120.300 -0.908 0.000 2.224 387 Y HA -0.235 4.315 4.550 0.000 0.000 0.289 387 Y C 2.589 178.336 175.900 -0.255 0.000 1.146 387 Y CA 0.904 58.669 58.100 -0.558 0.000 1.182 387 Y CB -0.189 38.104 38.460 -0.278 0.000 0.983 387 Y HN 0.206 nan 8.280 nan 0.000 0.524 388 E N 0.127 120.271 120.200 -0.093 0.000 2.106 388 E HA -0.229 4.121 4.350 -0.000 0.000 0.192 388 E C 2.006 178.600 176.600 -0.009 0.000 0.984 388 E CA 1.025 57.425 56.400 0.001 0.000 0.806 388 E CB -0.078 29.625 29.700 0.006 0.000 0.750 388 E HN 0.522 nan 8.360 nan 0.000 0.458 389 E N 0.144 120.265 120.200 -0.131 0.000 2.051 389 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 389 E C 1.677 178.347 176.600 0.117 0.000 0.991 389 E CA 1.039 57.404 56.400 -0.058 0.000 0.799 389 E CB 0.001 29.610 29.700 -0.153 0.000 0.748 389 E HN 0.288 nan 8.360 nan 0.000 0.449 390 W N 1.055 122.337 121.300 -0.030 0.000 2.342 390 W HA -0.122 4.538 4.660 -0.000 0.000 0.297 390 W C 2.506 179.166 176.519 0.234 0.000 1.213 390 W CA 0.926 58.383 57.345 0.187 0.000 1.251 390 W CB -0.930 28.690 29.460 0.268 0.000 1.136 390 W HN 0.196 nan 8.180 nan 0.000 0.526 391 R N 0.478 121.201 120.500 0.372 0.000 2.090 391 R HA -0.026 4.314 4.340 -0.000 0.000 0.228 391 R C 2.302 178.723 176.300 0.202 0.000 1.110 391 R CA 1.727 57.995 56.100 0.281 0.000 0.973 391 R CB -0.520 29.901 30.300 0.202 0.000 0.869 391 R HN -0.035 nan 8.270 nan 0.000 0.440 392 A N 0.995 123.902 122.820 0.145 0.000 1.898 392 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 392 A C 2.079 179.705 177.584 0.070 0.000 1.181 392 A CA 1.004 53.095 52.037 0.089 0.000 0.620 392 A CB -0.461 18.572 19.000 0.055 0.000 0.819 392 A HN 0.167 nan 8.150 nan 0.000 0.442 393 R N -0.914 119.612 120.500 0.044 0.000 2.159 393 R HA -0.104 4.236 4.340 -0.000 0.000 0.237 393 R C 1.381 177.724 176.300 0.071 0.000 1.131 393 R CA 1.028 57.061 56.100 -0.111 0.000 0.982 393 R CB -1.066 28.904 30.300 -0.549 0.000 0.868 393 R HN 1.065 nan 8.270 nan 0.000 0.453 394 G N -0.544 108.398 108.800 0.237 0.000 2.145 394 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.176 394 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.176 394 G C 1.005 176.208 174.900 0.506 0.000 1.013 394 G CA 0.374 45.659 45.100 0.308 0.000 0.689 394 G HN 0.436 nan 8.290 nan 0.000 0.506 395 C N -0.962 118.716 119.300 0.629 0.000 2.409 395 C HA 0.144 4.604 4.460 -0.000 0.000 0.284 395 C C 1.984 177.256 174.990 0.470 0.000 1.354 395 C CA 1.711 61.089 59.018 0.601 0.000 1.787 395 C CB -0.622 27.466 27.740 0.580 0.000 1.900 395 C HN 0.615 nan 8.230 nan 0.000 0.520 396 E N 0.489 120.957 120.200 0.446 0.000 2.340 396 E HA 0.024 4.374 4.350 -0.000 0.000 0.194 396 E C 0.207 177.156 176.600 0.583 0.000 0.996 396 E CA 0.173 56.828 56.400 0.426 0.000 0.869 396 E CB 0.000 29.866 29.700 0.276 0.000 0.835 396 E HN 0.630 nan 8.360 nan 0.000 0.493 397 D N 1.051 121.722 120.400 0.451 0.000 2.274 397 D HA 0.049 4.689 4.640 -0.000 0.000 0.239 397 D C -1.645 174.557 176.300 -0.163 0.000 1.104 397 D CA -2.348 51.761 54.000 0.180 0.000 0.840 397 D CB 1.602 42.453 40.800 0.086 0.000 1.100 397 D HN -0.135 nan 8.370 nan 0.000 0.477 398 P HA -0.143 nan 4.420 nan 0.000 0.223 398 P C 0.937 177.752 177.300 -0.808 0.000 1.144 398 P CA 0.769 62.843 63.100 -1.710 0.000 0.783 398 P CB 0.237 31.180 31.700 -1.261 0.000 0.771 399 S N -1.032 114.433 115.700 -0.392 0.000 2.575 399 S HA 0.014 4.484 4.470 -0.000 0.000 0.215 399 S C 1.956 176.501 174.600 -0.091 0.000 0.966 399 S CA 0.507 58.587 58.200 -0.199 0.000 0.911 399 S CB -0.992 62.134 63.200 -0.123 0.000 0.780 399 S HN 0.254 nan 8.310 nan 0.000 0.514 400 S N 1.408 117.082 115.700 -0.044 0.000 2.387 400 S HA 0.263 4.733 4.470 -0.000 0.000 0.226 400 S C 1.900 176.588 174.600 0.146 0.000 1.026 400 S CA 0.843 59.105 58.200 0.103 0.000 0.972 400 S CB -1.271 62.080 63.200 0.252 0.000 0.814 400 S HN 1.553 nan 8.310 nan 0.000 0.477 401 G N 0.655 109.535 108.800 0.134 0.000 2.143 401 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.248 401 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.248 401 G C -0.222 174.865 174.900 0.312 0.000 0.991 401 G CA 0.349 45.550 45.100 0.168 0.000 0.689 401 G HN 0.698 nan 8.290 nan 0.000 0.522 402 F N 0.229 120.331 119.950 0.253 0.000 2.492 402 F HA 0.851 5.378 4.527 0.000 0.000 0.327 402 F C -0.296 175.675 175.800 0.285 0.000 1.079 402 F CA -2.024 56.113 58.000 0.228 0.000 0.967 402 F CB 1.325 40.446 39.000 0.201 0.000 1.169 402 F HN 0.051 nan 8.300 nan 0.000 0.472 403 I N 7.333 127.342 120.570 -0.935 0.000 2.610 403 I HA 0.265 4.435 4.170 -0.000 0.000 0.289 403 I C -2.017 173.308 176.117 -1.320 0.000 1.163 403 I CA -2.309 58.474 61.300 -0.861 0.000 1.044 403 I CB 2.910 40.600 38.000 -0.517 0.000 1.251 403 I HN 0.413 nan 8.210 nan 0.000 0.424 404 P HA -0.214 nan 4.420 nan 0.000 0.219 404 P C 1.441 178.528 177.300 -0.356 0.000 1.145 404 P CA 0.962 63.403 63.100 -1.099 0.000 0.813 404 P CB 0.189 31.066 31.700 -1.371 0.000 0.771 405 L N -1.446 119.567 121.223 -0.350 0.000 2.083 405 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 405 L C 2.129 179.021 176.870 0.037 0.000 1.083 405 L CA 1.884 56.636 54.840 -0.146 0.000 0.752 405 L CB -1.075 40.820 42.059 -0.273 0.000 0.899 405 L HN -0.059 nan 8.230 nan 0.000 0.433 406 M N -2.395 117.182 119.600 -0.039 0.000 2.117 406 M HA -0.245 4.235 4.480 -0.000 0.000 0.262 406 M C 2.175 178.645 176.300 0.283 0.000 1.065 406 M CA 2.270 57.630 55.300 0.101 0.000 1.114 406 M CB -0.869 31.817 32.600 0.144 0.000 1.361 406 M HN 0.474 nan 8.290 nan 0.000 0.408 407 W N 0.717 122.171 121.300 0.256 0.000 2.350 407 W HA -0.207 4.453 4.660 0.000 0.000 0.289 407 W C 1.624 178.261 176.519 0.196 0.000 1.215 407 W CA 1.438 58.968 57.345 0.309 0.000 1.236 407 W CB -0.250 29.501 29.460 0.485 0.000 1.130 407 W HN 0.036 nan 8.180 nan 0.000 0.541 408 F N 0.163 120.338 119.950 0.375 0.000 2.146 408 F HA -0.129 4.398 4.527 0.000 0.000 0.298 408 F C 2.232 177.990 175.800 -0.070 0.000 1.096 408 F CA 1.717 59.838 58.000 0.201 0.000 1.275 408 F CB -0.774 38.364 39.000 0.230 0.000 1.008 408 F HN -0.195 nan 8.300 nan 0.000 0.480 409 I N -0.156 120.479 120.570 0.109 0.000 2.202 409 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 409 I C 2.136 178.172 176.117 -0.134 0.000 1.091 409 I CA 1.429 62.706 61.300 -0.039 0.000 1.368 409 I CB -0.571 37.404 38.000 -0.042 0.000 1.058 409 I HN 0.131 nan 8.210 nan 0.000 0.410 410 E N 0.882 121.000 120.200 -0.137 0.000 2.118 410 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 410 E C 0.873 177.264 176.600 -0.348 0.000 0.992 410 E CA 1.314 57.592 56.400 -0.203 0.000 0.804 410 E CB -0.231 29.372 29.700 -0.161 0.000 0.741 410 E HN 0.473 nan 8.360 nan 0.000 0.458 411 N N 0.933 119.302 118.700 -0.552 0.000 2.279 411 N HA 0.009 4.749 4.740 -0.000 0.000 0.226 411 N C -0.645 174.359 175.510 -0.844 0.000 1.126 411 N CA -0.050 52.549 53.050 -0.753 0.000 0.846 411 N CB 0.231 38.049 38.487 -1.114 0.000 1.050 411 N HN 0.049 nan 8.380 nan 0.000 0.502 412 N N 1.465 119.864 118.700 -0.501 0.000 2.669 412 N HA -0.262 4.478 4.740 -0.000 0.000 0.266 412 N C -1.410 173.867 175.510 -0.388 0.000 1.024 412 N CA 0.798 53.627 53.050 -0.368 0.000 0.766 412 N CB -1.302 37.006 38.487 -0.298 0.000 0.898 412 N HN 0.582 nan 8.380 nan 0.000 0.548 413 H N 0.623 119.627 119.070 -0.111 0.000 2.423 413 H HA 0.297 4.853 4.556 -0.000 0.000 0.237 413 H C -2.054 173.313 175.328 0.066 0.000 1.391 413 H CA -1.483 54.562 56.048 -0.006 0.000 1.453 413 H CB 0.976 30.714 29.762 -0.040 0.000 1.484 413 H HN 0.274 nan 8.280 nan 0.000 0.505 414 P HA 0.017 nan 4.420 nan 0.000 0.268 414 P C -0.100 176.922 177.300 -0.463 0.000 1.205 414 P CA 0.222 63.132 63.100 -0.318 0.000 0.771 414 P CB 1.638 33.054 31.700 -0.474 0.000 0.858 415 I N 3.334 123.565 120.570 -0.565 0.000 2.339 415 I HA 0.299 4.469 4.170 -0.000 0.000 0.290 415 I C 0.135 175.909 176.117 -0.571 0.000 0.994 415 I CA -0.794 60.248 61.300 -0.429 0.000 1.191 415 I CB 0.605 38.489 38.000 -0.193 0.000 1.343 415 I HN 0.307 nan 8.210 nan 0.000 0.458 416 Y N 5.602 125.718 120.300 -0.306 0.000 2.568 416 Y HA 0.575 5.125 4.550 -0.000 0.000 0.327 416 Y C 0.058 175.954 175.900 -0.007 0.000 1.163 416 Y CA -1.125 56.805 58.100 -0.283 0.000 1.219 416 Y CB 1.602 39.623 38.460 -0.732 0.000 1.308 416 Y HN 0.230 nan 8.280 nan 0.000 0.503 417 I N 1.339 122.119 120.570 0.349 0.000 2.436 417 I HA 0.117 4.287 4.170 -0.000 0.000 0.289 417 I C -0.771 175.544 176.117 0.330 0.000 1.010 417 I CA -0.905 60.578 61.300 0.306 0.000 1.098 417 I CB 1.237 39.299 38.000 0.103 0.000 1.266 417 I HN 0.647 nan 8.210 nan 0.000 0.434 418 D N 4.317 124.911 120.400 0.323 0.000 2.401 418 D HA 0.013 4.653 4.640 -0.000 0.000 0.254 418 D C 1.345 177.630 176.300 -0.025 0.000 1.192 418 D CA 0.086 54.136 54.000 0.083 0.000 0.885 418 D CB 0.935 41.718 40.800 -0.028 0.000 1.147 418 D HN 0.358 nan 8.370 nan 0.000 0.478 419 R N 3.006 123.381 120.500 -0.209 0.000 2.159 419 R HA -0.108 4.232 4.340 -0.000 0.000 0.237 419 R C 1.134 177.457 176.300 0.039 0.000 1.131 419 R CA 1.527 57.536 56.100 -0.151 0.000 0.982 419 R CB -0.407 29.636 30.300 -0.428 0.000 0.868 419 R HN 0.458 nan 8.270 nan 0.000 0.453 420 V N -0.726 119.211 119.914 0.039 0.000 2.391 420 V HA -0.073 4.047 4.120 -0.000 0.000 0.237 420 V C 2.015 178.146 176.094 0.061 0.000 1.046 420 V CA 1.653 63.961 62.300 0.013 0.000 1.053 420 V CB -0.264 31.474 31.823 -0.141 0.000 0.704 420 V HN 0.577 nan 8.190 nan 0.000 0.475 421 S N -1.192 114.533 115.700 0.042 0.000 2.489 421 S HA -0.152 4.318 4.470 -0.000 0.000 0.228 421 S C 1.225 175.818 174.600 -0.011 0.000 0.995 421 S CA 0.685 58.895 58.200 0.016 0.000 0.934 421 S CB -0.045 63.167 63.200 0.020 0.000 0.771 421 S HN 0.563 nan 8.310 nan 0.000 0.522 422 Q N -1.066 118.739 119.800 0.008 0.000 2.324 422 Q HA -0.130 4.210 4.340 -0.000 0.000 0.200 422 Q C -0.222 175.807 176.000 0.048 0.000 0.645 422 Q CA 0.960 56.760 55.803 -0.005 0.000 1.377 422 Q CB -2.781 25.905 28.738 -0.087 0.000 1.486 422 Q HN 0.582 nan 8.270 nan 0.000 0.796 423 V N 3.139 123.102 119.914 0.082 0.000 2.479 423 V HA 0.159 4.279 4.120 -0.000 0.000 0.281 423 V C -1.820 174.399 176.094 0.207 0.000 1.031 423 V CA -0.790 61.579 62.300 0.116 0.000 1.038 423 V CB 0.676 32.535 31.823 0.060 0.000 0.981 423 V HN -0.021 nan 8.190 nan 0.000 0.478 424 P HA 0.284 nan 4.420 nan 0.000 0.271 424 P C -0.926 176.612 177.300 0.396 0.000 1.216 424 P CA 0.080 63.337 63.100 0.262 0.000 0.771 424 P CB 0.287 32.064 31.700 0.128 0.000 0.864 425 F N 0.855 120.898 119.950 0.155 0.000 2.601 425 F HA 0.594 5.121 4.527 -0.000 0.000 0.309 425 F C -1.510 174.425 175.800 0.226 0.000 1.089 425 F CA -1.788 56.320 58.000 0.181 0.000 0.940 425 F CB 0.676 39.787 39.000 0.184 0.000 1.273 425 F HN 0.296 nan 8.300 nan 0.000 0.450 426 C N 6.441 125.889 119.300 0.247 0.000 2.647 426 C HA 0.470 4.930 4.460 -0.000 0.000 0.273 426 C C -1.130 174.006 174.990 0.243 0.000 1.088 426 C CA -1.675 57.449 59.018 0.177 0.000 1.529 426 C CB -0.074 27.841 27.740 0.292 0.000 1.810 426 C HN 0.757 nan 8.230 nan 0.000 0.422 427 P HA -0.136 nan 4.420 nan 0.000 0.218 427 P C 1.405 178.825 177.300 0.199 0.000 1.148 427 P CA 1.828 65.103 63.100 0.291 0.000 0.822 427 P CB 0.068 31.969 31.700 0.336 0.000 0.784 428 S N -1.740 114.077 115.700 0.195 0.000 2.489 428 S HA -0.022 4.448 4.470 -0.000 0.000 0.228 428 S C 1.751 176.391 174.600 0.067 0.000 0.995 428 S CA 0.395 58.701 58.200 0.175 0.000 0.934 428 S CB -0.835 62.535 63.200 0.282 0.000 0.771 428 S HN 0.062 nan 8.310 nan 0.000 0.522 429 L N 0.878 122.093 121.223 -0.014 0.000 2.653 429 L HA 0.591 4.931 4.340 -0.000 0.000 0.230 429 L C 1.060 177.921 176.870 -0.016 0.000 1.055 429 L CA 0.468 55.215 54.840 -0.156 0.000 0.880 429 L CB -0.420 41.435 42.059 -0.339 0.000 1.195 429 L HN 0.293 nan 8.230 nan 0.000 0.492 430 A N 0.121 122.985 122.820 0.073 0.000 2.586 430 A HA -0.049 4.271 4.320 -0.000 0.000 0.231 430 A C 1.252 178.788 177.584 -0.080 0.000 1.055 430 A CA 0.797 52.889 52.037 0.091 0.000 0.756 430 A CB 0.031 19.145 19.000 0.190 0.000 0.988 430 A HN 0.382 nan 8.150 nan 0.000 0.509 431 K N 1.250 121.561 120.400 -0.148 0.000 2.348 431 K HA 0.128 4.448 4.320 -0.000 0.000 0.194 431 K C 1.331 177.897 176.600 -0.057 0.000 1.052 431 K CA 0.692 56.735 56.287 -0.407 0.000 1.004 431 K CB 0.158 32.077 32.500 -0.968 0.000 0.873 431 K HN 0.862 nan 8.250 nan 0.000 0.523 432 G N 0.826 109.746 108.800 0.200 0.000 3.086 432 G HA2 0.359 4.319 3.960 -0.000 0.000 0.159 432 G HA3 0.359 4.319 3.960 -0.000 0.000 0.159 432 G C -0.561 174.484 174.900 0.242 0.000 1.654 432 G CA -0.062 45.246 45.100 0.346 0.000 1.078 432 G HN 0.262 nan 8.290 nan 0.000 0.558 433 A N -0.522 122.447 122.820 0.248 0.000 2.540 433 A HA 0.442 4.762 4.320 -0.000 0.000 0.239 433 A C 1.024 178.736 177.584 0.213 0.000 1.061 433 A CA 0.877 53.045 52.037 0.219 0.000 0.758 433 A CB 0.129 19.263 19.000 0.222 0.000 0.991 433 A HN 1.386 nan 8.150 nan 0.000 0.502 434 S N 1.044 116.857 115.700 0.188 0.000 2.952 434 S HA 0.226 4.696 4.470 -0.000 0.000 0.251 434 S C 0.333 175.049 174.600 0.194 0.000 1.021 434 S CA 0.096 58.413 58.200 0.196 0.000 1.067 434 S CB -0.159 63.124 63.200 0.138 0.000 1.002 434 S HN 0.708 nan 8.310 nan 0.000 0.574 435 T N 2.741 117.404 114.554 0.181 0.000 2.913 435 T HA 0.629 4.979 4.350 -0.000 0.000 0.297 435 T C -1.009 173.805 174.700 0.191 0.000 1.029 435 T CA -0.068 62.117 62.100 0.142 0.000 1.104 435 T CB 0.730 69.655 68.868 0.095 0.000 0.964 435 T HN 0.460 nan 8.240 nan 0.000 0.532 436 L N 4.210 125.516 121.223 0.138 0.000 2.562 436 L HA 0.654 4.994 4.340 -0.000 0.000 0.266 436 L C -1.508 175.358 176.870 -0.006 0.000 0.949 436 L CA -0.473 54.448 54.840 0.135 0.000 0.879 436 L CB 1.824 43.950 42.059 0.112 0.000 1.278 436 L HN 0.516 nan 8.230 nan 0.000 0.404 437 R N 3.781 124.251 120.500 -0.049 0.000 2.439 437 R HA 0.833 5.173 4.340 -0.000 0.000 0.310 437 R C -1.362 174.762 176.300 -0.292 0.000 0.955 437 R CA -0.570 55.431 56.100 -0.166 0.000 0.853 437 R CB 2.303 32.503 30.300 -0.167 0.000 1.171 437 R HN 0.412 nan 8.270 nan 0.000 0.449 438 V N 3.169 122.838 119.914 -0.409 0.000 2.495 438 V HA 0.495 4.615 4.120 -0.000 0.000 0.298 438 V C -0.317 175.622 176.094 -0.259 0.000 1.031 438 V CA -0.784 61.237 62.300 -0.466 0.000 0.871 438 V CB 1.583 32.935 31.823 -0.786 0.000 0.988 438 V HN 0.791 nan 8.190 nan 0.000 0.432 439 H N 2.002 121.031 119.070 -0.069 0.000 2.865 439 H HA 0.616 5.172 4.556 -0.000 0.000 0.372 439 H C -0.896 174.449 175.328 0.027 0.000 1.173 439 H CA -0.790 55.269 56.048 0.020 0.000 1.147 439 H CB 2.768 32.586 29.762 0.093 0.000 1.805 439 H HN 0.713 nan 8.280 nan 0.000 0.553 440 E N 1.950 122.293 120.200 0.238 0.000 2.210 440 E HA 0.281 4.631 4.350 -0.000 0.000 0.266 440 E C -1.918 174.878 176.600 0.327 0.000 0.883 440 E CA -0.846 55.668 56.400 0.189 0.000 0.761 440 E CB 1.678 31.441 29.700 0.106 0.000 1.156 440 E HN 0.558 nan 8.360 nan 0.000 0.412 441 Y N 5.039 125.486 120.300 0.245 0.000 2.307 441 Y HA 0.230 4.780 4.550 -0.000 0.000 0.323 441 Y C -0.425 175.629 175.900 0.257 0.000 1.100 441 Y CA -0.651 57.633 58.100 0.306 0.000 1.140 441 Y CB 1.004 39.803 38.460 0.565 0.000 1.159 441 Y HN 0.921 nan 8.280 nan 0.000 0.436 442 N N 4.667 123.242 118.700 -0.208 0.000 2.714 442 N HA -0.229 4.511 4.740 -0.000 0.000 0.253 442 N C 0.803 176.332 175.510 0.032 0.000 1.024 442 N CA 0.985 53.952 53.050 -0.138 0.000 0.726 442 N CB -0.914 37.462 38.487 -0.184 0.000 0.908 442 N HN 1.519 nan 8.380 nan 0.000 0.542 443 G N -0.511 108.310 108.800 0.035 0.000 2.179 443 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.260 443 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.260 443 G C -0.193 174.736 174.900 0.049 0.000 0.977 443 G CA 0.804 45.929 45.100 0.042 0.000 0.641 443 G HN 0.736 nan 8.290 nan 0.000 0.533 444 E N 0.020 120.267 120.200 0.078 0.000 2.266 444 E HA 0.728 5.078 4.350 -0.000 0.000 0.268 444 E C 0.229 176.709 176.600 -0.201 0.000 0.879 444 E CA -0.996 55.382 56.400 -0.037 0.000 0.762 444 E CB 0.642 30.367 29.700 0.041 0.000 1.199 444 E HN 0.068 nan 8.360 nan 0.000 0.422 445 M N 3.419 122.816 119.600 -0.339 0.000 2.264 445 M HA 0.339 4.819 4.480 -0.000 0.000 0.352 445 M C -0.735 175.142 176.300 -0.706 0.000 1.173 445 M CA -0.386 54.701 55.300 -0.355 0.000 1.075 445 M CB 1.175 33.665 32.600 -0.183 0.000 1.621 445 M HN 0.528 nan 8.290 nan 0.000 0.457 446 H N 1.228 120.138 119.070 -0.267 0.000 2.667 446 H HA 0.425 4.981 4.556 -0.000 0.000 0.353 446 H C -0.397 174.485 175.328 -0.742 0.000 1.072 446 H CA -0.485 55.226 56.048 -0.562 0.000 1.214 446 H CB 1.791 31.081 29.762 -0.787 0.000 1.600 446 H HN 0.598 nan 8.280 nan 0.000 0.527 447 T N 0.949 115.048 114.554 -0.757 0.000 2.770 447 T HA 0.634 4.984 4.350 -0.000 0.000 0.283 447 T C -0.506 173.732 174.700 -0.770 0.000 0.988 447 T CA -0.664 61.067 62.100 -0.615 0.000 0.957 447 T CB 0.211 68.894 68.868 -0.308 0.000 0.930 447 T HN 0.180 nan 8.240 nan 0.000 0.443 448 F N 1.559 121.439 119.950 -0.117 0.000 2.538 448 F HA 0.561 5.088 4.527 -0.000 0.000 0.325 448 F C 1.378 177.046 175.800 -0.221 0.000 1.066 448 F CA -1.233 56.675 58.000 -0.152 0.000 0.946 448 F CB 2.375 41.255 39.000 -0.199 0.000 1.199 448 F HN 0.710 nan 8.300 nan 0.000 0.473 449 S N -1.379 114.150 115.700 -0.286 0.000 2.559 449 S HA 0.309 4.779 4.470 -0.000 0.000 0.226 449 S C -0.697 173.843 174.600 -0.101 0.000 1.000 449 S CA -0.023 57.855 58.200 -0.536 0.000 0.948 449 S CB -0.761 61.660 63.200 -1.299 0.000 0.870 449 S HN 0.756 nan 8.310 nan 0.000 0.497 450 D N -0.621 119.795 120.400 0.027 0.000 2.653 450 D HA 0.163 4.803 4.640 -0.000 0.000 0.258 450 D C 0.515 176.764 176.300 -0.085 0.000 1.252 450 D CA -0.856 53.186 54.000 0.070 0.000 0.777 450 D CB 0.428 41.429 40.800 0.336 0.000 1.339 450 D HN -0.009 nan 8.370 nan 0.000 0.422 451 Q N -0.303 119.318 119.800 -0.299 0.000 2.364 451 Q HA -0.034 4.306 4.340 -0.000 0.000 0.207 451 Q C 0.376 175.984 176.000 -0.655 0.000 0.970 451 Q CA 0.866 56.356 55.803 -0.522 0.000 0.888 451 Q CB -0.195 28.128 28.738 -0.692 0.000 0.951 451 Q HN 0.695 nan 8.270 nan 0.000 0.469 452 W N 1.065 122.129 121.300 -0.392 0.000 2.525 452 W HA 0.281 4.941 4.660 0.000 0.000 0.288 452 W C 2.495 178.870 176.519 -0.240 0.000 1.200 452 W CA 0.455 57.517 57.345 -0.472 0.000 1.349 452 W CB -0.534 28.229 29.460 -1.162 0.000 1.102 452 W HN 0.221 nan 8.180 nan 0.000 0.558 453 G N 0.192 109.049 108.800 0.096 0.000 2.422 453 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 453 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 453 G C 1.369 176.257 174.900 -0.020 0.000 1.140 453 G CA 1.060 46.241 45.100 0.134 0.000 0.775 453 G HN 0.335 nan 8.290 nan 0.000 0.545 454 E N 0.339 120.436 120.200 -0.172 0.000 2.072 454 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 454 E C 2.449 178.849 176.600 -0.333 0.000 0.985 454 E CA 0.741 56.801 56.400 -0.566 0.000 0.801 454 E CB -0.141 29.255 29.700 -0.506 0.000 0.750 454 E HN 0.435 nan 8.360 nan 0.000 0.452 455 R N 0.074 120.452 120.500 -0.202 0.000 2.081 455 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 455 R C 2.438 178.701 176.300 -0.062 0.000 1.131 455 R CA 1.669 57.694 56.100 -0.125 0.000 0.960 455 R CB -0.173 30.064 30.300 -0.106 0.000 0.856 455 R HN 0.221 nan 8.270 nan 0.000 0.436 456 M N -0.879 118.703 119.600 -0.030 0.000 2.082 456 M HA -0.249 4.231 4.480 -0.000 0.000 0.258 456 M C 2.064 178.365 176.300 0.002 0.000 1.069 456 M CA 2.113 57.417 55.300 0.007 0.000 1.102 456 M CB -0.567 31.998 32.600 -0.057 0.000 1.336 456 M HN 0.344 nan 8.290 nan 0.000 0.404 457 W N 1.043 122.210 121.300 -0.223 0.000 2.381 457 W HA -0.134 4.526 4.660 -0.000 0.000 0.301 457 W C 1.835 178.261 176.519 -0.155 0.000 1.205 457 W CA 1.293 58.563 57.345 -0.124 0.000 1.285 457 W CB -0.192 29.213 29.460 -0.091 0.000 1.133 457 W HN 0.054 nan 8.180 nan 0.000 0.521 458 L N 0.318 121.509 121.223 -0.054 0.000 2.046 458 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 458 L C 2.627 179.305 176.870 -0.319 0.000 1.077 458 L CA 1.512 56.232 54.840 -0.200 0.000 0.747 458 L CB -1.231 40.792 42.059 -0.060 0.000 0.896 458 L HN 0.113 nan 8.230 nan 0.000 0.432 459 A N -0.479 122.223 122.820 -0.197 0.000 1.975 459 A HA -0.061 4.259 4.320 -0.000 0.000 0.215 459 A C 1.057 178.536 177.584 -0.175 0.000 1.170 459 A CA 0.840 52.788 52.037 -0.149 0.000 0.656 459 A CB -0.025 18.940 19.000 -0.058 0.000 0.821 459 A HN 0.424 nan 8.150 nan 0.000 0.449 460 E N -0.535 119.557 120.200 -0.179 0.000 4.052 460 E HA 0.133 4.483 4.350 -0.000 0.000 0.219 460 E C -2.124 174.320 176.600 -0.260 0.000 1.166 460 E CA -1.568 54.745 56.400 -0.145 0.000 1.338 460 E CB 1.153 30.874 29.700 0.034 0.000 1.212 460 E HN 0.354 nan 8.360 nan 0.000 0.432 461 P HA -0.250 nan 4.420 nan 0.000 0.219 461 P C 1.128 178.211 177.300 -0.362 0.000 1.146 461 P CA 1.298 63.801 63.100 -0.995 0.000 0.808 461 P CB 0.413 31.251 31.700 -1.437 0.000 0.779 462 E N 0.921 120.979 120.200 -0.238 0.000 2.427 462 E HA -0.121 4.229 4.350 -0.000 0.000 0.196 462 E C 1.715 178.234 176.600 -0.136 0.000 1.028 462 E CA 0.534 56.862 56.400 -0.120 0.000 0.864 462 E CB -0.516 29.126 29.700 -0.096 0.000 0.813 462 E HN 0.281 nan 8.360 nan 0.000 0.514 463 R N -0.470 119.893 120.500 -0.227 0.000 2.210 463 R HA 0.077 4.417 4.340 -0.000 0.000 0.203 463 R C 0.049 175.960 176.300 -0.649 0.000 1.010 463 R CA 0.490 56.309 56.100 -0.467 0.000 1.008 463 R CB 0.184 30.073 30.300 -0.686 0.000 0.923 463 R HN 0.146 nan 8.270 nan 0.000 0.469 464 Y N 0.383 120.716 120.300 0.055 0.000 2.749 464 Y HA 0.272 4.822 4.550 -0.000 0.000 0.343 464 Y C -0.096 175.935 175.900 0.218 0.000 1.015 464 Y CA -0.641 57.554 58.100 0.158 0.000 1.270 464 Y CB 1.059 39.694 38.460 0.292 0.000 1.097 464 Y HN -0.064 nan 8.280 nan 0.000 0.571 465 E N 0.571 120.904 120.200 0.222 0.000 2.812 465 E HA 0.128 4.478 4.350 -0.000 0.000 0.211 465 E C -0.446 176.243 176.600 0.149 0.000 0.986 465 E CA -0.221 56.312 56.400 0.221 0.000 1.119 465 E CB 0.554 30.348 29.700 0.156 0.000 1.046 465 E HN 0.443 nan 8.360 nan 0.000 0.474 466 C N 2.660 122.037 119.300 0.129 0.000 2.662 466 C HA 0.034 4.494 4.460 -0.000 0.000 0.402 466 C C 0.616 175.622 174.990 0.026 0.000 1.397 466 C CA -0.063 58.986 59.018 0.052 0.000 1.575 466 C CB -1.069 26.688 27.740 0.029 0.000 2.406 466 C HN 0.350 nan 8.230 nan 0.000 0.609 467 Q N 4.538 124.335 119.800 -0.005 0.000 2.255 467 Q HA 0.165 4.505 4.340 -0.000 0.000 0.280 467 Q C 0.489 176.423 176.000 -0.110 0.000 1.068 467 Q CA 0.651 56.431 55.803 -0.040 0.000 0.911 467 Q CB 0.418 29.127 28.738 -0.048 0.000 1.157 467 Q HN 0.892 nan 8.270 nan 0.000 0.380 468 N N 1.240 119.865 118.700 -0.125 0.000 2.408 468 N HA 0.098 4.838 4.740 -0.000 0.000 0.260 468 N C 0.693 175.962 175.510 -0.401 0.000 1.242 468 N CA -0.435 52.484 53.050 -0.218 0.000 0.959 468 N CB 0.496 38.895 38.487 -0.146 0.000 1.201 468 N HN 0.657 nan 8.380 nan 0.000 0.511 469 I N -3.687 116.497 120.570 -0.643 0.000 2.361 469 I HA -0.131 4.039 4.170 -0.000 0.000 0.251 469 I C 1.189 176.719 176.117 -0.978 0.000 1.133 469 I CA 1.221 61.875 61.300 -1.078 0.000 1.413 469 I CB -0.519 36.797 38.000 -1.139 0.000 1.073 469 I HN 0.357 nan 8.210 nan 0.000 0.424 470 F N 1.678 121.402 119.950 -0.376 0.000 2.259 470 F HA -0.060 4.467 4.527 0.000 0.000 0.298 470 F C 2.583 178.290 175.800 -0.156 0.000 1.088 470 F CA 1.063 58.934 58.000 -0.215 0.000 1.358 470 F CB -0.264 38.681 39.000 -0.090 0.000 1.040 470 F HN 0.056 nan 8.300 nan 0.000 0.505 471 E N 0.070 120.253 120.200 -0.027 0.000 2.028 471 E HA -0.259 4.091 4.350 -0.000 0.000 0.191 471 E C 2.056 178.618 176.600 -0.063 0.000 0.988 471 E CA 1.186 57.571 56.400 -0.025 0.000 0.799 471 E CB -0.209 29.466 29.700 -0.042 0.000 0.755 471 E HN 0.226 nan 8.360 nan 0.000 0.447 472 Q N 0.281 119.969 119.800 -0.187 0.000 2.124 472 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 472 Q C 1.251 177.271 176.000 0.033 0.000 0.977 472 Q CA 1.590 57.308 55.803 -0.141 0.000 0.850 472 Q CB -0.157 28.407 28.738 -0.291 0.000 0.901 472 Q HN 0.501 nan 8.270 nan 0.000 0.429 473 Y N 0.114 120.303 120.300 -0.185 0.000 2.466 473 Y HA 0.170 4.720 4.550 -0.000 0.000 0.272 473 Y C 0.340 176.246 175.900 0.009 0.000 1.169 473 Y CA -0.596 57.381 58.100 -0.204 0.000 1.285 473 Y CB 0.208 38.231 38.460 -0.728 0.000 1.078 473 Y HN 0.151 nan 8.280 nan 0.000 0.523 474 E N 0.915 121.219 120.200 0.174 0.000 2.652 474 E HA -0.027 4.323 4.350 -0.000 0.000 0.255 474 E C 1.174 177.867 176.600 0.154 0.000 0.952 474 E CA 1.049 57.557 56.400 0.180 0.000 0.947 474 E CB 0.185 29.951 29.700 0.110 0.000 0.912 474 E HN 0.627 nan 8.360 nan 0.000 0.489 475 G N 4.332 113.225 108.800 0.155 0.000 2.212 475 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.266 475 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.266 475 G C 0.197 175.158 174.900 0.101 0.000 0.978 475 G CA 0.234 45.393 45.100 0.099 0.000 0.632 475 G HN 0.495 nan 8.290 nan 0.000 0.537 476 R N 0.964 121.563 120.500 0.165 0.000 2.410 476 R HA 0.431 4.771 4.340 -0.000 0.000 0.288 476 R C 0.228 176.606 176.300 0.129 0.000 1.051 476 R CA -0.642 55.538 56.100 0.134 0.000 1.021 476 R CB 0.857 31.237 30.300 0.134 0.000 1.032 476 R HN 0.422 nan 8.270 nan 0.000 0.481 477 E N 2.699 122.917 120.200 0.030 0.000 2.289 477 E HA -0.029 4.321 4.350 -0.000 0.000 0.278 477 E C 0.926 177.494 176.600 -0.053 0.000 1.032 477 E CA -0.353 56.022 56.400 -0.040 0.000 0.854 477 E CB 1.094 30.763 29.700 -0.052 0.000 1.046 477 E HN 0.341 nan 8.360 nan 0.000 0.409 478 L N 5.091 126.225 121.223 -0.149 0.000 1.976 478 L HA -0.345 3.995 4.340 -0.000 0.000 0.223 478 L C 2.387 179.183 176.870 -0.123 0.000 1.081 478 L CA 2.983 57.734 54.840 -0.149 0.000 0.784 478 L CB -1.240 40.628 42.059 -0.318 0.000 0.896 478 L HN 0.752 nan 8.230 nan 0.000 0.438 479 S N -1.601 114.024 115.700 -0.125 0.000 2.387 479 S HA -0.275 4.195 4.470 -0.000 0.000 0.230 479 S C 1.837 176.377 174.600 -0.101 0.000 1.035 479 S CA 1.581 59.718 58.200 -0.104 0.000 1.014 479 S CB -0.831 62.324 63.200 -0.075 0.000 0.836 479 S HN 0.671 nan 8.310 nan 0.000 0.466 480 E N 0.464 120.609 120.200 -0.093 0.000 2.106 480 E HA -0.041 4.309 4.350 -0.000 0.000 0.192 480 E C 2.086 178.606 176.600 -0.133 0.000 0.984 480 E CA 1.145 57.489 56.400 -0.094 0.000 0.806 480 E CB -0.202 29.457 29.700 -0.069 0.000 0.750 480 E HN 0.460 nan 8.360 nan 0.000 0.458 481 V N 1.184 120.997 119.914 -0.168 0.000 2.379 481 V HA -0.232 3.888 4.120 -0.000 0.000 0.245 481 V C 2.165 178.109 176.094 -0.251 0.000 1.044 481 V CA 1.363 63.491 62.300 -0.286 0.000 1.036 481 V CB -0.315 31.194 31.823 -0.524 0.000 0.664 481 V HN 0.268 nan 8.190 nan 0.000 0.453 482 I N 0.597 121.047 120.570 -0.200 0.000 2.179 482 I HA -0.228 3.942 4.170 -0.000 0.000 0.242 482 I C 2.701 178.730 176.117 -0.148 0.000 1.088 482 I CA 1.541 62.743 61.300 -0.162 0.000 1.357 482 I CB -0.634 37.281 38.000 -0.141 0.000 1.051 482 I HN 0.284 nan 8.210 nan 0.000 0.409 483 A N 0.386 123.121 122.820 -0.142 0.000 1.877 483 A HA -0.275 4.045 4.320 -0.000 0.000 0.216 483 A C 2.331 179.773 177.584 -0.236 0.000 1.186 483 A CA 1.989 53.938 52.037 -0.147 0.000 0.620 483 A CB -0.708 18.226 19.000 -0.111 0.000 0.822 483 A HN 0.514 nan 8.150 nan 0.000 0.443 484 E N -0.179 119.888 120.200 -0.222 0.000 2.110 484 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 484 E C 1.270 177.652 176.600 -0.363 0.000 0.988 484 E CA 0.985 57.230 56.400 -0.258 0.000 0.804 484 E CB -0.155 29.445 29.700 -0.167 0.000 0.745 484 E HN 0.611 nan 8.360 nan 0.000 0.458 485 L N 0.195 121.263 121.223 -0.259 0.000 2.629 485 L HA 0.139 4.479 4.340 -0.000 0.000 0.230 485 L C -0.394 176.449 176.870 -0.045 0.000 1.151 485 L CA 0.065 54.821 54.840 -0.140 0.000 0.924 485 L CB -0.466 41.551 42.059 -0.070 0.000 1.137 485 L HN 0.289 nan 8.230 nan 0.000 0.457 486 H N -1.492 117.546 119.070 -0.053 0.000 2.826 486 H HA -0.149 4.407 4.556 0.000 0.000 0.306 486 H C 1.344 176.646 175.328 -0.044 0.000 1.235 486 H CA 0.438 56.459 56.048 -0.045 0.000 1.150 486 H CB -1.711 28.026 29.762 -0.043 0.000 1.409 486 H HN 0.448 nan 8.280 nan 0.000 0.420 487 G N 0.317 109.120 108.800 0.004 0.000 3.332 487 G HA2 0.373 4.333 3.960 -0.000 0.000 0.242 487 G HA3 0.373 4.333 3.960 -0.000 0.000 0.242 487 G C 0.285 175.187 174.900 0.004 0.000 1.276 487 G CA -0.151 44.947 45.100 -0.005 0.000 0.988 487 G HN 0.303 nan 8.290 nan 0.000 0.517 488 L N -0.825 120.413 121.223 0.026 0.000 2.303 488 L HA 0.600 4.940 4.340 -0.000 0.000 0.266 488 L C 0.622 177.512 176.870 0.034 0.000 1.011 488 L CA -1.286 53.570 54.840 0.026 0.000 0.818 488 L CB 1.751 43.824 42.059 0.022 0.000 1.326 488 L HN 0.010 nan 8.230 nan 0.000 0.435 489 R N -0.427 120.091 120.500 0.031 0.000 2.574 489 R HA 0.159 4.499 4.340 -0.000 0.000 0.266 489 R C 1.303 177.619 176.300 0.026 0.000 1.157 489 R CA 0.123 56.240 56.100 0.029 0.000 1.187 489 R CB 0.546 30.863 30.300 0.028 0.000 1.179 489 R HN 0.784 nan 8.270 nan 0.000 0.600 490 S N 0.117 115.829 115.700 0.021 0.000 2.469 490 S HA -0.155 4.315 4.470 -0.000 0.000 0.238 490 S C 1.191 175.801 174.600 0.016 0.000 0.998 490 S CA 1.458 59.668 58.200 0.016 0.000 0.957 490 S CB -0.352 62.854 63.200 0.010 0.000 0.764 490 S HN 0.767 nan 8.310 nan 0.000 0.514 491 D N 1.151 121.561 120.400 0.018 0.000 2.378 491 D HA 0.127 4.767 4.640 -0.000 0.000 0.227 491 D C 1.496 177.806 176.300 0.017 0.000 1.012 491 D CA 0.697 54.707 54.000 0.016 0.000 0.905 491 D CB -1.119 39.692 40.800 0.018 0.000 0.895 491 D HN 0.573 nan 8.370 nan 0.000 0.532 492 G N 0.346 109.158 108.800 0.020 0.000 2.175 492 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.265 492 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.265 492 G C 1.079 175.988 174.900 0.015 0.000 0.979 492 G CA 0.962 46.074 45.100 0.019 0.000 0.663 492 G HN 0.523 nan 8.290 nan 0.000 0.533 493 K N -1.490 118.922 120.400 0.020 0.000 2.567 493 K HA 0.184 4.504 4.320 -0.000 0.000 0.199 493 K C 0.873 177.495 176.600 0.036 0.000 1.412 493 K CA 0.775 57.075 56.287 0.021 0.000 1.020 493 K CB 0.573 33.084 32.500 0.018 0.000 1.487 493 K HN 0.217 nan 8.250 nan 0.000 0.531 494 T N 2.742 117.321 114.554 0.042 0.000 2.851 494 T HA 0.242 4.592 4.350 -0.000 0.000 0.298 494 T C 0.112 174.849 174.700 0.062 0.000 0.977 494 T CA -0.238 61.899 62.100 0.062 0.000 1.126 494 T CB 0.523 69.424 68.868 0.056 0.000 0.916 494 T HN 0.036 nan 8.240 nan 0.000 0.529 495 L N 3.746 125.024 121.223 0.092 0.000 2.461 495 L HA 0.184 4.524 4.340 -0.000 0.000 0.272 495 L C 1.800 178.696 176.870 0.044 0.000 1.197 495 L CA -0.209 54.676 54.840 0.075 0.000 0.836 495 L CB 0.279 42.421 42.059 0.138 0.000 1.105 495 L HN 0.716 nan 8.230 nan 0.000 0.477 496 I N 1.573 122.152 120.570 0.015 0.000 2.193 496 I HA -0.118 4.052 4.170 -0.000 0.000 0.240 496 I C 1.472 177.561 176.117 -0.047 0.000 1.084 496 I CA 0.615 61.913 61.300 -0.004 0.000 1.365 496 I CB -0.052 37.953 38.000 0.008 0.000 1.064 496 I HN 0.716 nan 8.210 nan 0.000 0.410 497 A N 1.080 123.860 122.820 -0.066 0.000 2.386 497 A HA 0.353 4.673 4.320 -0.000 0.000 0.248 497 A C -0.218 177.351 177.584 -0.025 0.000 1.082 497 A CA 0.145 52.121 52.037 -0.102 0.000 0.789 497 A CB 0.455 19.388 19.000 -0.112 0.000 1.025 497 A HN 0.320 nan 8.150 nan 0.000 0.490 498 Q N 0.469 120.103 119.800 -0.276 0.000 2.418 498 Q HA 0.368 4.708 4.340 -0.000 0.000 0.282 498 Q C -2.529 172.746 176.000 -1.209 0.000 1.044 498 Q CA -1.471 53.874 55.803 -0.763 0.000 0.813 498 Q CB 2.152 30.535 28.738 -0.592 0.000 1.428 498 Q HN 0.531 nan 8.270 nan 0.000 0.402 499 P HA 0.037 nan 4.420 nan 0.000 0.255 499 P C -0.526 176.518 177.300 -0.426 0.000 1.248 499 P CA 0.695 62.873 63.100 -1.536 0.000 0.807 499 P CB 0.390 30.894 31.700 -1.993 0.000 1.150 500 H N -3.045 115.840 119.070 -0.308 0.000 3.017 500 H HA 0.436 4.992 4.556 -0.000 0.000 0.346 500 H C -0.171 175.128 175.328 -0.049 0.000 1.286 500 H CA -1.027 54.981 56.048 -0.067 0.000 1.120 500 H CB 0.700 30.459 29.762 -0.005 0.000 1.860 500 H HN -0.258 nan 8.280 nan 0.000 0.542 501 V N -1.176 118.855 119.914 0.195 0.000 3.099 501 V HA 0.486 4.606 4.120 -0.000 0.000 0.356 501 V C 0.469 176.679 176.094 0.194 0.000 1.364 501 V CA -0.519 61.854 62.300 0.121 0.000 1.229 501 V CB -1.071 30.811 31.823 0.099 0.000 1.227 501 V HN 0.564 nan 8.190 nan 0.000 0.493 502 R N 0.105 120.869 120.500 0.440 0.000 2.546 502 R HA 0.571 4.911 4.340 -0.000 0.000 0.266 502 R C 1.613 178.043 176.300 0.216 0.000 1.086 502 R CA 0.096 56.333 56.100 0.230 0.000 1.160 502 R CB 0.953 31.283 30.300 0.050 0.000 1.138 502 R HN 0.321 nan 8.270 nan 0.000 0.567 503 G N 0.114 108.982 108.800 0.113 0.000 2.511 503 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.217 503 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.217 503 G C -0.239 174.723 174.900 0.102 0.000 1.133 503 G CA 0.486 45.640 45.100 0.091 0.000 0.792 503 G HN 0.713 nan 8.290 nan 0.000 0.539 504 D N -2.441 118.023 120.400 0.107 0.000 2.497 504 D HA 0.515 5.155 4.640 -0.000 0.000 0.243 504 D C -0.219 176.161 176.300 0.134 0.000 1.039 504 D CA -1.088 52.967 54.000 0.091 0.000 1.052 504 D CB 0.772 41.593 40.800 0.035 0.000 1.344 504 D HN -0.055 nan 8.370 nan 0.000 0.553 505 K N -0.321 120.139 120.400 0.100 0.000 3.162 505 K HA -0.145 4.175 4.320 -0.000 0.000 0.268 505 K C -0.836 175.936 176.600 0.288 0.000 1.062 505 K CA 0.127 56.480 56.287 0.109 0.000 0.769 505 K CB -1.533 30.991 32.500 0.040 0.000 1.274 505 K HN 0.449 nan 8.250 nan 0.000 0.478 506 L N 0.763 122.114 121.223 0.214 0.000 2.305 506 L HA 0.287 4.627 4.340 -0.000 0.000 0.281 506 L C 0.826 177.844 176.870 0.246 0.000 1.085 506 L CA -0.663 54.314 54.840 0.228 0.000 0.813 506 L CB 0.248 42.379 42.059 0.120 0.000 1.157 506 L HN 0.041 nan 8.230 nan 0.000 0.436 507 W N 2.135 123.450 121.300 0.025 0.000 2.158 507 W HA 0.240 4.900 4.660 -0.000 0.000 0.339 507 W C 0.881 177.441 176.519 0.068 0.000 1.294 507 W CA -0.290 57.107 57.345 0.087 0.000 1.231 507 W CB 0.323 29.914 29.460 0.217 0.000 1.143 507 W HN 0.451 nan 8.180 nan 0.000 0.571 508 T N -0.140 114.557 114.554 0.239 0.000 2.949 508 T HA 0.322 4.672 4.350 -0.000 0.000 0.287 508 T C 0.522 175.299 174.700 0.128 0.000 1.034 508 T CA -0.925 61.257 62.100 0.137 0.000 1.018 508 T CB 1.366 70.270 68.868 0.061 0.000 1.135 508 T HN 0.318 nan 8.240 nan 0.000 0.532 509 L N 0.860 122.123 121.223 0.068 0.000 2.081 509 L HA -0.026 4.314 4.340 -0.000 0.000 0.212 509 L C 2.144 179.030 176.870 0.027 0.000 1.080 509 L CA 2.274 57.133 54.840 0.032 0.000 0.754 509 L CB -1.022 41.038 42.059 0.002 0.000 0.893 509 L HN 0.958 nan 8.230 nan 0.000 0.433 510 D N -0.934 119.479 120.400 0.023 0.000 2.144 510 D HA -0.210 4.430 4.640 -0.000 0.000 0.199 510 D C 1.671 177.980 176.300 0.015 0.000 0.984 510 D CA 1.348 55.353 54.000 0.008 0.000 0.834 510 D CB -0.088 40.710 40.800 -0.003 0.000 0.955 510 D HN 0.419 nan 8.370 nan 0.000 0.465 511 D N -0.186 120.237 120.400 0.038 0.000 2.178 511 D HA -0.120 4.520 4.640 -0.000 0.000 0.201 511 D C 1.993 178.370 176.300 0.129 0.000 0.980 511 D CA 0.479 54.498 54.000 0.032 0.000 0.842 511 D CB 0.065 40.850 40.800 -0.025 0.000 0.948 511 D HN 0.340 nan 8.370 nan 0.000 0.472 512 I N 0.761 121.415 120.570 0.140 0.000 2.400 512 I HA -0.118 4.052 4.170 -0.000 0.000 0.248 512 I C 2.313 178.422 176.117 -0.013 0.000 1.109 512 I CA 0.624 61.963 61.300 0.065 0.000 1.425 512 I CB -0.696 37.290 38.000 -0.024 0.000 1.094 512 I HN -0.021 nan 8.210 nan 0.000 0.425 513 K N 1.304 121.695 120.400 -0.016 0.000 2.063 513 K HA -0.169 4.151 4.320 -0.000 0.000 0.208 513 K C 2.229 178.812 176.600 -0.029 0.000 1.048 513 K CA 1.353 57.618 56.287 -0.035 0.000 0.928 513 K CB 0.005 32.488 32.500 -0.028 0.000 0.713 513 K HN 0.193 nan 8.250 nan 0.000 0.442 514 R N 0.466 120.959 120.500 -0.012 0.000 2.159 514 R HA -0.120 4.220 4.340 -0.000 0.000 0.237 514 R C 2.244 178.541 176.300 -0.006 0.000 1.131 514 R CA 1.191 57.285 56.100 -0.010 0.000 0.982 514 R CB -0.363 29.932 30.300 -0.009 0.000 0.868 514 R HN 0.273 nan 8.270 nan 0.000 0.453 515 L N 0.197 121.420 121.223 -0.000 0.000 2.362 515 L HA -0.079 4.261 4.340 -0.000 0.000 0.219 515 L C 0.593 177.436 176.870 -0.045 0.000 1.134 515 L CA 0.452 55.288 54.840 -0.006 0.000 0.807 515 L CB -0.832 41.217 42.059 -0.016 0.000 0.927 515 L HN 0.358 nan 8.230 nan 0.000 0.447 516 N N -0.424 118.241 118.700 -0.058 0.000 2.699 516 N HA -0.247 4.493 4.740 -0.000 0.000 0.256 516 N C -0.065 175.381 175.510 -0.107 0.000 0.993 516 N CA 0.034 53.041 53.050 -0.072 0.000 0.759 516 N CB -0.553 37.905 38.487 -0.049 0.000 0.906 516 N HN 0.417 nan 8.380 nan 0.000 0.541 517 C N 1.697 120.900 119.300 -0.162 0.000 2.415 517 C HA 0.625 5.085 4.460 -0.000 0.000 0.369 517 C C 0.333 175.149 174.990 -0.288 0.000 1.279 517 C CA -0.424 58.446 59.018 -0.246 0.000 1.886 517 C CB -0.049 27.488 27.740 -0.338 0.000 2.468 517 C HN 0.250 nan 8.230 nan 0.000 0.553 518 V N 7.541 127.305 119.914 -0.250 0.000 2.487 518 V HA 0.409 4.529 4.120 -0.000 0.000 0.298 518 V C -0.109 175.884 176.094 -0.169 0.000 1.028 518 V CA -0.330 61.867 62.300 -0.172 0.000 0.860 518 V CB 1.264 33.045 31.823 -0.070 0.000 0.991 518 V HN 0.832 nan 8.190 nan 0.000 0.427 519 F N 3.461 123.418 119.950 0.012 0.000 2.496 519 F HA 0.395 4.922 4.527 -0.000 0.000 0.344 519 F C 0.821 176.639 175.800 0.031 0.000 1.155 519 F CA 0.348 58.386 58.000 0.063 0.000 1.302 519 F CB 0.622 39.735 39.000 0.189 0.000 1.159 519 F HN 0.330 nan 8.300 nan 0.000 0.595 520 K N 1.217 121.743 120.400 0.211 0.000 2.498 520 K HA 0.199 4.519 4.320 -0.000 0.000 0.254 520 K C -1.291 175.305 176.600 -0.005 0.000 0.933 520 K CA -1.194 55.129 56.287 0.061 0.000 0.806 520 K CB 1.724 34.201 32.500 -0.039 0.000 1.301 520 K HN 0.340 nan 8.250 nan 0.000 0.432 521 N N 4.037 122.754 118.700 0.029 0.000 2.402 521 N HA 0.075 4.815 4.740 -0.000 0.000 0.252 521 N C -1.563 173.918 175.510 -0.049 0.000 1.118 521 N CA -1.973 51.094 53.050 0.028 0.000 0.945 521 N CB 0.787 39.316 38.487 0.070 0.000 1.147 521 N HN 0.359 nan 8.380 nan 0.000 0.495 522 P HA -0.169 nan 4.420 nan 0.000 0.220 522 P C 1.254 178.658 177.300 0.173 0.000 1.144 522 P CA 0.663 63.672 63.100 -0.151 0.000 0.800 522 P CB 0.539 31.942 31.700 -0.496 0.000 0.772 523 V N 0.200 120.259 119.914 0.241 0.000 2.871 523 V HA -0.087 4.033 4.120 -0.000 0.000 0.256 523 V C 2.135 178.400 176.094 0.286 0.000 1.082 523 V CA 1.408 63.916 62.300 0.347 0.000 1.105 523 V CB -0.977 30.929 31.823 0.139 0.000 0.713 523 V HN -0.023 nan 8.190 nan 0.000 0.473 524 K N 0.538 121.020 120.400 0.137 0.000 2.520 524 K HA -0.011 4.309 4.320 -0.000 0.000 0.197 524 K C 1.964 178.602 176.600 0.063 0.000 1.043 524 K CA 1.139 57.477 56.287 0.085 0.000 0.944 524 K CB -0.597 31.926 32.500 0.038 0.000 0.770 524 K HN 0.572 nan 8.250 nan 0.000 0.480 525 A N 0.652 123.499 122.820 0.045 0.000 1.929 525 A HA -0.013 4.306 4.320 -0.000 0.000 0.216 525 A C 0.604 178.097 177.584 -0.151 0.000 1.176 525 A CA 0.318 52.289 52.037 -0.110 0.000 0.628 525 A CB -0.320 18.532 19.000 -0.247 0.000 0.816 525 A HN 0.133 nan 8.150 nan 0.000 0.444 526 F N 1.890 121.845 119.950 0.007 0.000 2.502 526 F HA 0.211 4.738 4.527 -0.000 0.000 0.371 526 F C 0.629 176.430 175.800 0.002 0.000 1.083 526 F CA -0.537 57.465 58.000 0.003 0.000 1.174 526 F CB -0.057 38.941 39.000 -0.003 0.000 1.096 526 F HN 0.132 nan 8.300 nan 0.000 0.545 527 N N 0.000 118.776 118.700 0.126 0.000 1.763 527 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 527 N CA 0.000 53.100 53.050 0.083 0.000 0.885 527 N CB 0.000 38.512 38.487 0.042 0.000 1.341 527 N HN 0.000 nan 8.380 nan 0.000 0.667