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 3nbb_1_C DATA FIRST_RESID 15 DATA SEQUENCE SAAPARPAHP LDPLSTAEIK AATNTVKSYF AGKKISFNTV TLREPARKAY DATA SEQUENCE IQWKEQGGPL PPRLAYYVIL EAGKPGVKEG LVDLASLSVI ETRALETVQP DATA SEQUENCE ILTVEDLCST EEVIRNDPAV IEQCVLSGIP ANEMHKVYCD PWTIGYDERW DATA SEQUENCE GTGKRLQQAL VYYRSDEDDS QYSHPLDFCP IVDTEEKKVI FIDIPNRRRK DATA SEQUENCE VSKHKHANFY PKHMIEKVGA MRPEAPPINV TQPEGVSFKM TGNVMEWSNF DATA SEQUENCE KFHIGFNYRE GIVLSDVSYN DHGNVRPIFH RISLSEMIVP FGSPEFPHQR DATA SEQUENCE KHALDIGEYG AGYMTNPLSL GCDcKGVIHY LDAHFSDRAG DPITVKNAVc DATA SEQUENCE IHEEDDGLLF KHSDFRDNFA TSLVTRATKL VVSQIFTAAN XEYCLYWVFM DATA SEQUENCE QDGAIRLDIR LTGILNTYIL GDDEEAGPWG TRVYPNVNAH NHQHLFSLRI DATA SEQUENCE DPRIDGDGNS AAACDAKSSP YPLGSPENMY GNAFYSEKTT FKTVKDSLTN DATA SEQUENCE YESATGRSWD IFNPNKVNPY SGKPPSYKLV STQCPPLLAK EGSLVAKRAP DATA SEQUENCE WASHSVNVVP YKDNRLYPSG DHVPQWSGDG VRGMREWIGD GSENIDNTDI DATA SEQUENCE LFFHTFGITH FPAPEDFPLM PAEPITLMLR PRHFFTENPG LDIQPSYAMT DATA SEQUENCE TSEAKRAVHK E 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 15 S HA 0.000 nan 4.470 nan 0.000 0.327 15 S C 0.000 174.603 174.600 0.005 0.000 1.055 15 S CA 0.000 58.204 58.200 0.006 0.000 1.107 15 S CB 0.000 63.205 63.200 0.008 0.000 0.593 16 A N 1.053 123.875 122.820 0.004 0.000 2.302 16 A HA 0.721 5.042 4.320 0.000 0.000 0.219 16 A C 1.177 178.762 177.584 0.001 0.000 1.243 16 A CA 0.266 52.304 52.037 0.002 0.000 0.856 16 A CB -1.056 17.945 19.000 0.001 0.000 0.893 16 A HN 1.806 nan 8.150 nan 0.000 0.491 17 A N 1.955 124.777 122.820 0.004 0.000 2.540 17 A HA 0.466 4.786 4.320 0.000 0.000 0.239 17 A C -1.659 175.926 177.584 0.002 0.000 1.061 17 A CA -0.769 51.270 52.037 0.004 0.000 0.758 17 A CB -0.256 18.748 19.000 0.007 0.000 0.991 17 A HN 0.407 nan 8.150 nan 0.000 0.502 18 P HA 0.298 nan 4.420 nan 0.000 0.272 18 P C -0.103 177.198 177.300 0.002 0.000 1.230 18 P CA 0.022 63.120 63.100 -0.003 0.000 0.788 18 P CB 0.629 32.325 31.700 -0.006 0.000 0.949 19 A N 3.255 126.076 122.820 0.002 0.000 2.511 19 A HA 0.112 4.432 4.320 0.000 0.000 0.242 19 A C 0.660 178.251 177.584 0.012 0.000 1.069 19 A CA -0.166 51.875 52.037 0.008 0.000 0.763 19 A CB -0.322 18.683 19.000 0.008 0.000 1.001 19 A HN 0.475 nan 8.150 nan 0.000 0.498 20 R N 2.037 122.546 120.500 0.014 0.000 2.694 20 R HA 0.301 4.641 4.340 0.000 0.000 0.268 20 R C -1.929 174.387 176.300 0.027 0.000 1.061 20 R CA -0.924 55.185 56.100 0.014 0.000 1.133 20 R CB 0.077 30.382 30.300 0.008 0.000 1.020 20 R HN 0.661 nan 8.270 nan 0.000 0.475 21 P HA 0.090 nan 4.420 nan 0.000 0.276 21 P C -0.355 176.994 177.300 0.081 0.000 1.261 21 P CA -0.258 62.879 63.100 0.063 0.000 0.800 21 P CB 1.013 32.760 31.700 0.078 0.000 1.066 22 A N 0.358 123.249 122.820 0.118 0.000 1.930 22 A HA -0.117 4.203 4.320 0.000 0.000 0.217 22 A C 1.069 178.778 177.584 0.207 0.000 1.175 22 A CA 1.398 53.524 52.037 0.148 0.000 0.627 22 A CB -1.124 17.969 19.000 0.155 0.000 0.815 22 A HN 0.806 nan 8.150 nan 0.000 0.443 23 H N -2.363 116.774 119.070 0.111 0.000 2.600 23 H HA 0.427 4.983 4.556 0.000 0.000 0.357 23 H C -2.355 172.953 175.328 -0.034 0.000 1.106 23 H CA -1.975 54.139 56.048 0.111 0.000 1.193 23 H CB 2.062 31.971 29.762 0.244 0.000 1.594 23 H HN -0.107 nan 8.280 nan 0.000 0.526 24 P HA -0.153 nan 4.420 nan 0.000 0.220 24 P C 0.678 177.984 177.300 0.011 0.000 1.144 24 P CA 1.247 64.235 63.100 -0.187 0.000 0.800 24 P CB 0.273 31.653 31.700 -0.533 0.000 0.772 25 L N -2.089 119.238 121.223 0.173 0.000 2.607 25 L HA 0.139 4.479 4.340 0.000 0.000 0.228 25 L C 0.295 177.060 176.870 -0.174 0.000 1.123 25 L CA -0.186 54.508 54.840 -0.243 0.000 0.890 25 L CB -0.439 41.159 42.059 -0.769 0.000 1.103 25 L HN -0.111 nan 8.230 nan 0.000 0.468 26 D N 1.656 122.118 120.400 0.103 0.000 2.443 26 D HA 0.123 4.763 4.640 0.000 0.000 0.239 26 D C -2.031 174.366 176.300 0.163 0.000 1.136 26 D CA -0.967 53.180 54.000 0.245 0.000 0.879 26 D CB 0.675 41.609 40.800 0.223 0.000 1.195 26 D HN -0.064 nan 8.370 nan 0.000 0.443 27 P HA 0.058 nan 4.420 nan 0.000 0.271 27 P C -0.010 177.383 177.300 0.156 0.000 1.233 27 P CA -0.330 62.880 63.100 0.182 0.000 0.789 27 P CB 0.571 32.401 31.700 0.218 0.000 0.951 28 L N 0.676 121.990 121.223 0.153 0.000 2.490 28 L HA 0.070 4.410 4.340 0.000 0.000 0.274 28 L C 1.221 178.148 176.870 0.095 0.000 1.201 28 L CA 0.093 55.000 54.840 0.113 0.000 0.869 28 L CB -0.058 42.069 42.059 0.113 0.000 1.123 28 L HN 0.506 nan 8.230 nan 0.000 0.484 29 S N 0.056 115.775 115.700 0.031 0.000 2.624 29 S HA 0.122 4.592 4.470 0.000 0.000 0.263 29 S C 1.280 175.805 174.600 -0.126 0.000 1.287 29 S CA -0.168 57.994 58.200 -0.064 0.000 0.990 29 S CB 1.301 64.467 63.200 -0.057 0.000 0.950 29 S HN 0.770 nan 8.310 nan 0.000 0.561 30 T N -1.412 112.973 114.554 -0.280 0.000 2.833 30 T HA -0.077 4.273 4.350 0.000 0.000 0.269 30 T C 1.947 176.581 174.700 -0.111 0.000 1.054 30 T CA 1.093 63.067 62.100 -0.210 0.000 1.135 30 T CB -1.055 67.655 68.868 -0.264 0.000 0.869 30 T HN 0.874 nan 8.240 nan 0.000 0.466 31 A N 1.990 124.751 122.820 -0.097 0.000 1.902 31 A HA -0.077 4.243 4.320 0.000 0.000 0.217 31 A C 2.332 179.890 177.584 -0.043 0.000 1.181 31 A CA 1.578 53.579 52.037 -0.060 0.000 0.623 31 A CB -0.682 18.290 19.000 -0.047 0.000 0.818 31 A HN 0.650 nan 8.150 nan 0.000 0.443 32 E N -0.318 119.864 120.200 -0.031 0.000 2.110 32 E HA -0.135 4.215 4.350 0.000 0.000 0.193 32 E C 1.889 178.481 176.600 -0.014 0.000 0.988 32 E CA 1.107 57.501 56.400 -0.010 0.000 0.804 32 E CB -0.284 29.423 29.700 0.012 0.000 0.745 32 E HN 0.692 nan 8.360 nan 0.000 0.458 33 I N 1.066 121.625 120.570 -0.020 0.000 2.142 33 I HA -0.286 3.884 4.170 0.000 0.000 0.240 33 I C 2.491 178.555 176.117 -0.088 0.000 1.078 33 I CA 1.069 62.350 61.300 -0.030 0.000 1.343 33 I CB -0.171 37.823 38.000 -0.009 0.000 1.046 33 I HN -0.007 nan 8.210 nan 0.000 0.405 34 K N 1.527 121.876 120.400 -0.085 0.000 2.057 34 K HA -0.130 4.190 4.320 0.000 0.000 0.207 34 K C 2.013 178.559 176.600 -0.089 0.000 1.049 34 K CA 1.745 57.971 56.287 -0.102 0.000 0.931 34 K CB -0.447 32.009 32.500 -0.073 0.000 0.714 34 K HN 0.302 nan 8.250 nan 0.000 0.440 35 A N 0.357 123.143 122.820 -0.057 0.000 1.933 35 A HA -0.054 4.266 4.320 0.000 0.000 0.218 35 A C 2.354 179.914 177.584 -0.040 0.000 1.175 35 A CA 2.029 54.043 52.037 -0.037 0.000 0.628 35 A CB -0.999 17.990 19.000 -0.019 0.000 0.814 35 A HN 0.414 nan 8.150 nan 0.000 0.444 36 A N -0.220 122.571 122.820 -0.047 0.000 1.873 36 A HA -0.095 4.225 4.320 0.000 0.000 0.215 36 A C 2.472 179.997 177.584 -0.098 0.000 1.186 36 A CA 2.555 54.569 52.037 -0.039 0.000 0.616 36 A CB -1.425 17.574 19.000 -0.003 0.000 0.823 36 A HN 0.770 nan 8.150 nan 0.000 0.442 37 T N -1.879 112.536 114.554 -0.232 0.000 2.821 37 T HA -0.142 4.208 4.350 0.000 0.000 0.267 37 T C 1.659 176.288 174.700 -0.119 0.000 1.046 37 T CA 1.408 63.248 62.100 -0.432 0.000 1.139 37 T CB -0.554 67.769 68.868 -0.908 0.000 0.871 37 T HN 0.370 nan 8.240 nan 0.000 0.454 38 N N 1.403 120.054 118.700 -0.082 0.000 2.120 38 N HA -0.061 4.679 4.740 0.000 0.000 0.188 38 N C 2.100 177.627 175.510 0.028 0.000 1.024 38 N CA 1.833 54.878 53.050 -0.010 0.000 0.852 38 N CB -1.005 37.472 38.487 -0.017 0.000 1.003 38 N HN 0.501 nan 8.380 nan 0.000 0.424 39 T N 1.057 115.617 114.554 0.010 0.000 2.708 39 T HA -0.055 4.295 4.350 0.000 0.000 0.266 39 T C 2.173 176.898 174.700 0.042 0.000 1.037 39 T CA 0.958 63.070 62.100 0.021 0.000 1.146 39 T CB -0.352 68.517 68.868 0.001 0.000 0.865 39 T HN -0.022 nan 8.240 nan 0.000 0.435 40 V N 1.448 121.382 119.914 0.034 0.000 2.343 40 V HA -0.173 3.947 4.120 0.000 0.000 0.247 40 V C 2.459 178.712 176.094 0.265 0.000 1.051 40 V CA 1.563 63.902 62.300 0.065 0.000 1.036 40 V CB -0.505 31.312 31.823 -0.010 0.000 0.654 40 V HN 0.466 nan 8.190 nan 0.000 0.451 41 K N 0.111 120.679 120.400 0.279 0.000 2.063 41 K HA -0.163 4.157 4.320 0.000 0.000 0.208 41 K C 2.425 179.124 176.600 0.166 0.000 1.048 41 K CA 1.815 58.251 56.287 0.247 0.000 0.928 41 K CB -0.345 32.279 32.500 0.207 0.000 0.713 41 K HN 0.379 nan 8.250 nan 0.000 0.442 42 S N 0.328 116.096 115.700 0.113 0.000 2.368 42 S HA -0.171 4.299 4.470 0.000 0.000 0.225 42 S C 1.724 176.340 174.600 0.027 0.000 1.030 42 S CA 1.063 59.299 58.200 0.061 0.000 0.999 42 S CB -0.360 62.868 63.200 0.047 0.000 0.844 42 S HN 0.330 nan 8.310 nan 0.000 0.459 43 Y N 0.999 121.226 120.300 -0.122 0.000 2.224 43 Y HA -0.059 4.491 4.550 0.000 0.000 0.289 43 Y C 0.738 176.382 175.900 -0.427 0.000 1.146 43 Y CA 1.245 59.158 58.100 -0.312 0.000 1.182 43 Y CB -0.127 38.049 38.460 -0.473 0.000 0.983 43 Y HN 0.189 nan 8.280 nan 0.000 0.524 44 F N 0.802 120.798 119.950 0.077 0.000 2.916 44 F HA 0.441 4.968 4.527 0.000 0.000 0.294 44 F C 0.850 176.634 175.800 -0.027 0.000 1.189 44 F CA -0.488 57.512 58.000 -0.001 0.000 1.369 44 F CB -0.858 38.162 39.000 0.034 0.000 0.961 44 F HN -0.009 nan 8.300 nan 0.000 0.508 45 A N 0.161 123.009 122.820 0.046 0.000 2.567 45 A HA 0.390 4.710 4.320 0.000 0.000 0.240 45 A C 1.579 179.183 177.584 0.033 0.000 1.053 45 A CA 0.990 53.047 52.037 0.034 0.000 0.755 45 A CB -0.550 18.443 19.000 -0.011 0.000 0.978 45 A HN 1.112 nan 8.150 nan 0.000 0.507 46 G N 1.758 110.581 108.800 0.037 0.000 2.241 46 G HA2 -0.206 3.754 3.960 0.000 0.000 0.244 46 G HA3 -0.206 3.754 3.960 0.000 0.000 0.244 46 G C 0.309 175.228 174.900 0.032 0.000 0.998 46 G CA 0.517 45.632 45.100 0.026 0.000 0.621 46 G HN 0.774 nan 8.290 nan 0.000 0.519 47 K N 0.702 121.136 120.400 0.057 0.000 2.143 47 K HA 0.431 4.751 4.320 0.000 0.000 0.272 47 K C 0.030 176.633 176.600 0.005 0.000 1.001 47 K CA -0.684 55.626 56.287 0.038 0.000 0.915 47 K CB 1.784 34.330 32.500 0.076 0.000 1.047 47 K HN 0.289 nan 8.250 nan 0.000 0.458 48 K N 4.360 124.745 120.400 -0.025 0.000 2.231 48 K HA 0.203 4.524 4.320 0.000 0.000 0.275 48 K C -0.043 176.502 176.600 -0.092 0.000 1.105 48 K CA -0.263 56.000 56.287 -0.039 0.000 0.931 48 K CB -0.188 32.294 32.500 -0.030 0.000 1.296 48 K HN 0.603 nan 8.250 nan 0.000 0.446 49 I N 0.168 120.664 120.570 -0.124 0.000 2.797 49 I HA 0.595 4.765 4.170 0.000 0.000 0.307 49 I C -0.662 175.309 176.117 -0.243 0.000 1.033 49 I CA -0.819 60.334 61.300 -0.245 0.000 1.071 49 I CB 2.237 39.997 38.000 -0.399 0.000 1.255 49 I HN 0.455 nan 8.210 nan 0.000 0.445 50 S N 2.792 118.307 115.700 -0.308 0.000 2.548 50 S HA 0.672 5.142 4.470 0.000 0.000 0.286 50 S C -1.047 173.342 174.600 -0.351 0.000 1.098 50 S CA -0.649 57.427 58.200 -0.206 0.000 0.930 50 S CB 1.376 64.525 63.200 -0.084 0.000 1.070 50 S HN 0.496 nan 8.310 nan 0.000 0.480 51 F N 2.807 122.740 119.950 -0.029 0.000 2.411 51 F HA 0.463 4.990 4.527 0.000 0.000 0.350 51 F C 1.755 177.546 175.800 -0.014 0.000 1.114 51 F CA -0.595 57.394 58.000 -0.018 0.000 1.135 51 F CB 1.217 40.214 39.000 -0.005 0.000 1.120 51 F HN 0.839 nan 8.300 nan 0.000 0.495 52 N N 1.006 119.771 118.700 0.108 0.000 2.482 52 N HA 0.022 4.762 4.740 0.000 0.000 0.179 52 N C -0.393 175.179 175.510 0.105 0.000 1.039 52 N CA 0.695 53.790 53.050 0.075 0.000 0.884 52 N CB 0.642 39.148 38.487 0.032 0.000 1.113 52 N HN 0.556 nan 8.380 nan 0.000 0.440 53 T N 0.563 115.160 114.554 0.072 0.000 3.105 53 T HA 0.439 4.789 4.350 0.000 0.000 0.321 53 T C -1.403 173.289 174.700 -0.013 0.000 1.135 53 T CA -0.468 61.586 62.100 -0.076 0.000 1.053 53 T CB 2.575 71.260 68.868 -0.304 0.000 1.133 53 T HN -0.151 nan 8.240 nan 0.000 0.463 54 V N 2.776 122.689 119.914 -0.003 0.000 2.462 54 V HA 0.745 4.865 4.120 0.000 0.000 0.288 54 V C -0.150 175.993 176.094 0.082 0.000 1.020 54 V CA -0.452 61.892 62.300 0.073 0.000 0.857 54 V CB 1.591 33.454 31.823 0.065 0.000 1.013 54 V HN 0.989 nan 8.190 nan 0.000 0.431 55 T N 3.835 118.462 114.554 0.123 0.000 2.841 55 T HA 0.630 4.980 4.350 0.000 0.000 0.296 55 T C -1.240 173.593 174.700 0.223 0.000 1.166 55 T CA -0.535 61.682 62.100 0.194 0.000 1.007 55 T CB 1.626 70.629 68.868 0.225 0.000 1.253 55 T HN 0.551 nan 8.240 nan 0.000 0.511 56 L N 2.996 124.341 121.223 0.204 0.000 2.499 56 L HA 0.580 4.920 4.340 0.000 0.000 0.273 56 L C 0.187 177.147 176.870 0.150 0.000 1.195 56 L CA 0.074 55.008 54.840 0.157 0.000 0.882 56 L CB 0.402 42.536 42.059 0.126 0.000 1.133 56 L HN 0.594 nan 8.230 nan 0.000 0.483 57 R N 4.496 125.071 120.500 0.125 0.000 2.233 57 R HA 0.304 4.644 4.340 0.000 0.000 0.334 57 R C -0.524 175.799 176.300 0.038 0.000 1.037 57 R CA -0.167 55.983 56.100 0.083 0.000 0.920 57 R CB -0.188 30.172 30.300 0.100 0.000 1.137 57 R HN 0.756 nan 8.270 nan 0.000 0.492 58 E N 5.497 125.703 120.200 0.010 0.000 2.437 58 E HA 0.039 4.389 4.350 0.000 0.000 0.263 58 E C -1.828 174.775 176.600 0.004 0.000 1.030 58 E CA -1.127 55.265 56.400 -0.013 0.000 0.934 58 E CB 0.331 30.002 29.700 -0.049 0.000 0.943 58 E HN 0.561 nan 8.360 nan 0.000 0.444 59 P HA 0.004 nan 4.420 nan 0.000 0.272 59 P C -0.901 176.448 177.300 0.082 0.000 1.230 59 P CA -0.261 62.866 63.100 0.046 0.000 0.788 59 P CB 0.589 32.325 31.700 0.060 0.000 0.949 60 A N 2.338 125.207 122.820 0.082 0.000 2.531 60 A HA -0.035 4.285 4.320 0.000 0.000 0.236 60 A C 1.859 179.514 177.584 0.118 0.000 1.062 60 A CA -0.009 52.088 52.037 0.101 0.000 0.760 60 A CB -0.390 18.656 19.000 0.077 0.000 0.995 60 A HN 0.692 nan 8.150 nan 0.000 0.501 61 R N 1.276 121.831 120.500 0.092 0.000 2.096 61 R HA -0.205 4.135 4.340 0.000 0.000 0.240 61 R C 2.095 178.339 176.300 -0.095 0.000 1.139 61 R CA 2.283 58.313 56.100 -0.116 0.000 0.952 61 R CB -0.216 29.781 30.300 -0.506 0.000 0.854 61 R HN 0.861 nan 8.270 nan 0.000 0.436 62 K N -0.329 120.038 120.400 -0.056 0.000 2.026 62 K HA -0.136 4.184 4.320 0.000 0.000 0.208 62 K C 1.951 178.570 176.600 0.032 0.000 1.048 62 K CA 1.485 57.755 56.287 -0.029 0.000 0.929 62 K CB -0.195 32.298 32.500 -0.010 0.000 0.713 62 K HN 0.274 nan 8.250 nan 0.000 0.439 63 A N 0.442 123.302 122.820 0.067 0.000 1.908 63 A HA -0.214 4.106 4.320 0.000 0.000 0.218 63 A C 2.089 179.758 177.584 0.141 0.000 1.181 63 A CA 1.576 53.666 52.037 0.088 0.000 0.627 63 A CB -0.960 18.086 19.000 0.076 0.000 0.818 63 A HN 0.610 nan 8.150 nan 0.000 0.445 64 Y N 0.451 120.798 120.300 0.079 0.000 2.145 64 Y HA -0.178 4.372 4.550 0.000 0.000 0.286 64 Y C 2.024 178.070 175.900 0.244 0.000 1.145 64 Y CA 1.870 60.071 58.100 0.167 0.000 1.148 64 Y CB -0.252 38.316 38.460 0.181 0.000 0.981 64 Y HN 0.265 nan 8.280 nan 0.000 0.507 65 I N 0.099 120.746 120.570 0.129 0.000 2.286 65 I HA -0.342 3.828 4.170 0.000 0.000 0.248 65 I C 2.364 178.451 176.117 -0.050 0.000 1.115 65 I CA 1.563 62.873 61.300 0.018 0.000 1.392 65 I CB -0.503 37.502 38.000 0.008 0.000 1.065 65 I HN 0.358 nan 8.210 nan 0.000 0.418 66 Q N -0.393 119.403 119.800 -0.007 0.000 2.084 66 Q HA -0.269 4.071 4.340 0.000 0.000 0.202 66 Q C 2.031 178.015 176.000 -0.027 0.000 0.978 66 Q CA 2.107 57.901 55.803 -0.015 0.000 0.844 66 Q CB -0.301 28.447 28.738 0.017 0.000 0.898 66 Q HN 0.638 nan 8.270 nan 0.000 0.426 67 W N 1.718 122.908 121.300 -0.182 0.000 2.381 67 W HA -0.158 4.502 4.660 0.000 0.000 0.301 67 W C 2.056 178.420 176.519 -0.259 0.000 1.205 67 W CA 1.170 58.392 57.345 -0.205 0.000 1.285 67 W CB -0.009 29.311 29.460 -0.233 0.000 1.133 67 W HN -0.153 nan 8.180 nan 0.000 0.521 68 K N 0.604 120.724 120.400 -0.466 0.000 2.097 68 K HA -0.146 4.174 4.320 0.000 0.000 0.205 68 K C 1.138 177.457 176.600 -0.469 0.000 1.050 68 K CA 2.035 57.889 56.287 -0.720 0.000 0.938 68 K CB -0.139 32.072 32.500 -0.482 0.000 0.718 68 K HN 0.429 nan 8.250 nan 0.000 0.442 69 E N -1.140 118.891 120.200 -0.282 0.000 2.572 69 E HA 0.054 4.404 4.350 0.000 0.000 0.220 69 E C 0.338 176.846 176.600 -0.153 0.000 0.945 69 E CA -0.056 56.230 56.400 -0.189 0.000 1.070 69 E CB 0.761 30.397 29.700 -0.107 0.000 1.090 69 E HN 0.234 nan 8.360 nan 0.000 0.506 70 Q N 0.273 119.982 119.800 -0.151 0.000 2.141 70 Q HA 0.238 4.578 4.340 0.000 0.000 0.248 70 Q C 0.450 176.385 176.000 -0.110 0.000 0.834 70 Q CA 0.067 55.807 55.803 -0.105 0.000 1.096 70 Q CB 1.452 30.150 28.738 -0.067 0.000 1.189 70 Q HN 0.290 nan 8.270 nan 0.000 0.471 71 G N 0.963 109.661 108.800 -0.171 0.000 2.321 71 G HA2 -0.298 3.662 3.960 0.000 0.000 0.287 71 G HA3 -0.298 3.662 3.960 0.000 0.000 0.287 71 G C 0.451 175.302 174.900 -0.081 0.000 1.018 71 G CA 0.103 45.111 45.100 -0.154 0.000 0.855 71 G HN 0.513 nan 8.290 nan 0.000 0.507 72 G N -0.005 108.761 108.800 -0.056 0.000 2.634 72 G HA2 0.615 4.575 3.960 0.000 0.000 0.255 72 G HA3 0.615 4.575 3.960 0.000 0.000 0.255 72 G C -1.187 173.792 174.900 0.131 0.000 1.205 72 G CA -0.383 44.739 45.100 0.036 0.000 0.884 72 G HN 0.340 nan 8.290 nan 0.000 0.549 73 P HA 0.093 nan 4.420 nan 0.000 0.272 73 P C -0.277 177.145 177.300 0.205 0.000 1.223 73 P CA -0.588 62.599 63.100 0.145 0.000 0.784 73 P CB 1.076 32.821 31.700 0.074 0.000 0.923 74 L N 4.923 126.241 121.223 0.158 0.000 2.477 74 L HA 0.228 4.568 4.340 0.000 0.000 0.272 74 L C -2.128 174.663 176.870 -0.132 0.000 1.157 74 L CA -1.435 53.351 54.840 -0.090 0.000 0.889 74 L CB -0.867 41.157 42.059 -0.059 0.000 1.158 74 L HN 0.281 nan 8.230 nan 0.000 0.473 75 P HA 0.171 nan 4.420 nan 0.000 0.269 75 P C -2.511 174.734 177.300 -0.091 0.000 1.209 75 P CA -0.726 62.307 63.100 -0.112 0.000 0.776 75 P CB -0.207 31.429 31.700 -0.108 0.000 0.876 76 P HA 0.156 nan 4.420 nan 0.000 0.268 76 P C -0.384 176.903 177.300 -0.022 0.000 1.204 76 P CA -0.075 63.012 63.100 -0.021 0.000 0.768 76 P CB 0.391 32.091 31.700 0.000 0.000 0.842 77 R N 3.649 124.139 120.500 -0.016 0.000 2.248 77 R HA 0.329 4.669 4.340 0.000 0.000 0.337 77 R C -0.889 175.426 176.300 0.024 0.000 1.085 77 R CA 0.209 56.307 56.100 -0.003 0.000 0.934 77 R CB -0.977 29.321 30.300 -0.004 0.000 1.034 77 R HN 0.438 nan 8.270 nan 0.000 0.465 78 L N 2.713 123.959 121.223 0.038 0.000 2.342 78 L HA 0.789 5.129 4.340 0.000 0.000 0.271 78 L C -0.303 176.626 176.870 0.099 0.000 1.008 78 L CA -1.365 53.515 54.840 0.067 0.000 0.818 78 L CB 2.174 44.272 42.059 0.066 0.000 1.296 78 L HN 0.651 nan 8.230 nan 0.000 0.427 79 A N 1.647 124.545 122.820 0.131 0.000 2.330 79 A HA 0.564 4.884 4.320 0.000 0.000 0.313 79 A C -1.580 176.149 177.584 0.242 0.000 1.124 79 A CA -0.380 51.760 52.037 0.171 0.000 0.774 79 A CB 0.977 20.064 19.000 0.144 0.000 1.198 79 A HN 0.587 nan 8.150 nan 0.000 0.465 80 Y N 3.437 123.803 120.300 0.110 0.000 2.323 80 Y HA 0.594 5.144 4.550 0.000 0.000 0.331 80 Y C -0.801 175.175 175.900 0.127 0.000 1.092 80 Y CA -0.905 57.232 58.100 0.063 0.000 1.150 80 Y CB 0.779 39.262 38.460 0.038 0.000 1.200 80 Y HN 0.727 nan 8.280 nan 0.000 0.472 81 Y N 3.172 123.137 120.300 -0.558 0.000 2.576 81 Y HA 0.828 5.378 4.550 0.000 0.000 0.346 81 Y C -2.093 173.453 175.900 -0.590 0.000 1.018 81 Y CA -1.869 55.979 58.100 -0.420 0.000 1.050 81 Y CB 1.160 39.602 38.460 -0.030 0.000 1.280 81 Y HN 0.358 nan 8.280 nan 0.000 0.474 82 V N 4.757 124.585 119.914 -0.145 0.000 2.569 82 V HA 0.561 4.681 4.120 0.000 0.000 0.301 82 V C -0.341 175.751 176.094 -0.004 0.000 1.044 82 V CA -0.703 61.523 62.300 -0.123 0.000 0.874 82 V CB 1.369 33.146 31.823 -0.076 0.000 1.002 82 V HN 0.881 nan 8.190 nan 0.000 0.424 83 I N 2.560 123.090 120.570 -0.067 0.000 3.042 83 I HA 0.731 4.902 4.170 0.000 0.000 0.310 83 I C -1.557 174.420 176.117 -0.234 0.000 1.117 83 I CA -1.014 60.141 61.300 -0.241 0.000 1.003 83 I CB 2.375 40.086 38.000 -0.482 0.000 1.228 83 I HN 0.238 nan 8.210 nan 0.000 0.443 84 L N 2.125 123.197 121.223 -0.250 0.000 2.342 84 L HA 0.572 4.912 4.340 0.000 0.000 0.271 84 L C -0.456 176.276 176.870 -0.229 0.000 1.008 84 L CA -0.275 54.449 54.840 -0.194 0.000 0.818 84 L CB 1.691 43.671 42.059 -0.132 0.000 1.296 84 L HN 0.814 nan 8.230 nan 0.000 0.427 85 E N 1.115 121.202 120.200 -0.188 0.000 2.199 85 E HA 0.559 4.909 4.350 0.000 0.000 0.265 85 E C -0.643 175.892 176.600 -0.108 0.000 0.882 85 E CA -0.731 55.565 56.400 -0.174 0.000 0.759 85 E CB 2.143 31.731 29.700 -0.187 0.000 1.148 85 E HN 0.740 nan 8.360 nan 0.000 0.412 86 A N 2.736 125.504 122.820 -0.087 0.000 2.584 86 A HA 0.341 4.662 4.320 0.000 0.000 0.239 86 A C 1.254 178.811 177.584 -0.045 0.000 1.043 86 A CA 1.086 53.089 52.037 -0.057 0.000 0.756 86 A CB -0.468 18.505 19.000 -0.044 0.000 0.963 86 A HN 1.125 nan 8.150 nan 0.000 0.511 87 G N 1.387 110.166 108.800 -0.035 0.000 2.189 87 G HA2 -0.220 3.741 3.960 0.000 0.000 0.267 87 G HA3 -0.220 3.741 3.960 0.000 0.000 0.267 87 G C 0.214 175.099 174.900 -0.026 0.000 0.975 87 G CA 0.819 45.904 45.100 -0.025 0.000 0.644 87 G HN 0.757 nan 8.290 nan 0.000 0.537 88 K N 1.046 121.423 120.400 -0.039 0.000 2.244 88 K HA 0.495 4.815 4.320 0.000 0.000 0.260 88 K C -2.232 174.345 176.600 -0.038 0.000 0.951 88 K CA -1.782 54.483 56.287 -0.038 0.000 0.826 88 K CB 2.510 34.977 32.500 -0.055 0.000 1.108 88 K HN 0.179 nan 8.250 nan 0.000 0.433 89 P HA 0.163 nan 4.420 nan 0.000 0.275 89 P C 0.544 177.825 177.300 -0.033 0.000 1.228 89 P CA 0.252 63.341 63.100 -0.019 0.000 0.786 89 P CB 0.814 32.514 31.700 -0.001 0.000 0.927 90 G N 1.049 109.827 108.800 -0.036 0.000 2.547 90 G HA2 -0.111 3.849 3.960 0.000 0.000 0.271 90 G HA3 -0.111 3.849 3.960 0.000 0.000 0.271 90 G C -0.206 174.635 174.900 -0.099 0.000 1.209 90 G CA 0.515 45.579 45.100 -0.060 0.000 0.959 90 G HN 0.928 nan 8.290 nan 0.000 0.563 91 V N -3.924 115.910 119.914 -0.134 0.000 3.165 91 V HA 0.966 5.086 4.120 0.000 0.000 0.309 91 V C -0.498 175.515 176.094 -0.136 0.000 1.267 91 V CA -0.526 61.677 62.300 -0.162 0.000 1.067 91 V CB 1.960 33.641 31.823 -0.237 0.000 1.082 91 V HN 1.075 nan 8.190 nan 0.000 0.451 92 K N 0.835 121.154 120.400 -0.134 0.000 2.427 92 K HA 0.650 4.970 4.320 0.000 0.000 0.252 92 K C -1.260 175.297 176.600 -0.072 0.000 0.931 92 K CA -0.505 55.739 56.287 -0.071 0.000 0.793 92 K CB 2.449 34.892 32.500 -0.095 0.000 1.211 92 K HN 1.020 nan 8.250 nan 0.000 0.426 93 E N 0.798 120.938 120.200 -0.100 0.000 2.416 93 E HA 0.822 5.172 4.350 0.000 0.000 0.273 93 E C -0.404 175.884 176.600 -0.521 0.000 0.935 93 E CA -1.262 54.929 56.400 -0.349 0.000 0.784 93 E CB 2.309 31.961 29.700 -0.080 0.000 1.301 93 E HN 0.623 nan 8.360 nan 0.000 0.454 94 G N 0.251 108.392 108.800 -1.099 0.000 2.340 94 G HA2 0.422 4.382 3.960 0.000 0.000 0.299 94 G HA3 0.422 4.382 3.960 0.000 0.000 0.299 94 G C -1.797 172.803 174.900 -0.500 0.000 1.291 94 G CA -1.020 43.669 45.100 -0.685 0.000 0.841 94 G HN 0.402 nan 8.290 nan 0.000 0.500 95 L N -0.146 121.056 121.223 -0.035 0.000 2.381 95 L HA 0.741 5.081 4.340 0.000 0.000 0.268 95 L C -0.614 176.379 176.870 0.204 0.000 0.997 95 L CA -1.191 53.726 54.840 0.129 0.000 0.818 95 L CB 2.316 44.434 42.059 0.099 0.000 1.310 95 L HN 0.333 nan 8.230 nan 0.000 0.416 96 V N 0.871 120.911 119.914 0.209 0.000 2.448 96 V HA 0.189 4.309 4.120 0.000 0.000 0.295 96 V C -0.721 175.425 176.094 0.087 0.000 1.025 96 V CA -0.508 61.873 62.300 0.135 0.000 0.859 96 V CB 2.016 33.916 31.823 0.128 0.000 0.988 96 V HN 0.721 nan 8.190 nan 0.000 0.431 97 D N 3.806 124.239 120.400 0.055 0.000 2.365 97 D HA 0.285 4.925 4.640 0.000 0.000 0.237 97 D C 1.065 177.385 176.300 0.034 0.000 1.190 97 D CA -0.170 53.855 54.000 0.041 0.000 0.867 97 D CB 0.933 41.751 40.800 0.030 0.000 1.050 97 D HN 0.446 nan 8.370 nan 0.000 0.491 98 L N 3.428 124.671 121.223 0.034 0.000 2.079 98 L HA -0.153 4.187 4.340 0.000 0.000 0.210 98 L C 2.408 179.289 176.870 0.017 0.000 1.081 98 L CA 1.212 56.067 54.840 0.025 0.000 0.752 98 L CB -0.428 41.647 42.059 0.025 0.000 0.896 98 L HN 0.556 nan 8.230 nan 0.000 0.433 99 A N 0.046 122.875 122.820 0.015 0.000 1.877 99 A HA -0.209 4.111 4.320 0.000 0.000 0.216 99 A C 2.370 179.962 177.584 0.013 0.000 1.186 99 A CA 2.121 54.165 52.037 0.012 0.000 0.620 99 A CB -0.581 18.425 19.000 0.010 0.000 0.822 99 A HN 0.508 nan 8.150 nan 0.000 0.443 100 S N -1.193 114.516 115.700 0.015 0.000 2.577 100 S HA 0.396 4.866 4.470 0.000 0.000 0.219 100 S C 0.506 175.116 174.600 0.017 0.000 0.962 100 S CA 0.140 58.350 58.200 0.016 0.000 0.921 100 S CB -0.590 62.621 63.200 0.017 0.000 0.789 100 S HN 0.592 nan 8.310 nan 0.000 0.497 101 L N 2.057 123.290 121.223 0.017 0.000 3.854 101 L HA -0.192 4.148 4.340 0.000 0.000 0.460 101 L C 0.050 176.932 176.870 0.019 0.000 1.228 101 L CA 0.528 55.377 54.840 0.016 0.000 0.760 101 L CB -2.355 39.712 42.059 0.013 0.000 1.597 101 L HN 0.724 nan 8.230 nan 0.000 0.852 102 S N -2.319 113.392 115.700 0.019 0.000 2.564 102 S HA 0.718 5.188 4.470 0.000 0.000 0.274 102 S C -0.404 174.191 174.600 -0.008 0.000 1.124 102 S CA -1.052 57.157 58.200 0.015 0.000 0.869 102 S CB 2.499 65.713 63.200 0.024 0.000 1.105 102 S HN -0.031 nan 8.310 nan 0.000 0.472 103 V N 3.251 123.121 119.914 -0.074 0.000 2.439 103 V HA 0.216 4.336 4.120 0.000 0.000 0.271 103 V C 1.171 177.201 176.094 -0.106 0.000 1.040 103 V CA -0.122 62.082 62.300 -0.161 0.000 1.002 103 V CB 0.184 31.637 31.823 -0.617 0.000 1.000 103 V HN 0.899 nan 8.190 nan 0.000 0.477 104 I N 1.293 121.846 120.570 -0.028 0.000 4.057 104 I HA 0.529 4.699 4.170 0.000 0.000 0.334 104 I C 0.550 176.666 176.117 -0.001 0.000 1.308 104 I CA 0.285 61.582 61.300 -0.005 0.000 1.125 104 I CB 0.456 38.467 38.000 0.018 0.000 1.034 104 I HN 0.630 nan 8.210 nan 0.000 0.401 105 E N 0.629 120.824 120.200 -0.008 0.000 2.354 105 E HA 0.474 4.824 4.350 0.000 0.000 0.283 105 E C -1.378 175.221 176.600 -0.002 0.000 0.938 105 E CA -0.463 55.940 56.400 0.005 0.000 0.777 105 E CB 2.388 32.101 29.700 0.021 0.000 1.222 105 E HN 0.095 nan 8.360 nan 0.000 0.423 106 T N 2.637 117.204 114.554 0.022 0.000 2.957 106 T HA 0.592 4.942 4.350 0.000 0.000 0.336 106 T C -2.051 172.705 174.700 0.094 0.000 1.462 106 T CA -0.685 61.454 62.100 0.064 0.000 1.073 106 T CB 0.915 69.856 68.868 0.121 0.000 1.319 106 T HN 0.650 nan 8.240 nan 0.000 0.485 107 R N 1.732 122.289 120.500 0.095 0.000 2.663 107 R HA 0.833 5.173 4.340 0.000 0.000 0.267 107 R C -1.555 174.790 176.300 0.075 0.000 1.038 107 R CA -1.193 54.960 56.100 0.089 0.000 0.886 107 R CB 1.111 31.448 30.300 0.062 0.000 1.249 107 R HN 0.696 nan 8.270 nan 0.000 0.463 108 A N 2.222 125.083 122.820 0.067 0.000 2.301 108 A HA 0.675 4.995 4.320 0.000 0.000 0.312 108 A C -1.043 176.548 177.584 0.013 0.000 1.182 108 A CA -0.709 51.348 52.037 0.033 0.000 0.826 108 A CB 0.874 19.899 19.000 0.042 0.000 1.134 108 A HN 0.415 nan 8.150 nan 0.000 0.501 109 L N 2.562 123.772 121.223 -0.022 0.000 2.417 109 L HA 0.340 4.680 4.340 0.000 0.000 0.259 109 L C 0.838 177.685 176.870 -0.040 0.000 1.023 109 L CA 0.269 55.093 54.840 -0.027 0.000 0.901 109 L CB 0.788 42.814 42.059 -0.055 0.000 1.227 109 L HN 0.920 nan 8.230 nan 0.000 0.454 110 E N 0.153 120.346 120.200 -0.012 0.000 2.427 110 E HA -0.046 4.304 4.350 0.000 0.000 0.196 110 E C 0.537 177.140 176.600 0.006 0.000 1.028 110 E CA 0.998 57.393 56.400 -0.008 0.000 0.864 110 E CB 0.331 30.034 29.700 0.005 0.000 0.813 110 E HN 0.627 nan 8.360 nan 0.000 0.514 111 T N -1.397 113.168 114.554 0.018 0.000 3.308 111 T HA 0.426 4.776 4.350 0.000 0.000 0.270 111 T C -0.164 174.571 174.700 0.059 0.000 0.992 111 T CA -0.441 61.687 62.100 0.047 0.000 0.931 111 T CB 0.221 69.125 68.868 0.061 0.000 1.142 111 T HN -0.173 nan 8.240 nan 0.000 0.525 112 V N 0.779 120.706 119.914 0.023 0.000 3.078 112 V HA 0.619 4.739 4.120 0.000 0.000 0.311 112 V C -1.608 174.483 176.094 -0.005 0.000 1.138 112 V CA -0.791 61.523 62.300 0.024 0.000 1.007 112 V CB 2.532 34.339 31.823 -0.027 0.000 1.045 112 V HN 0.384 nan 8.190 nan 0.000 0.432 113 Q N 3.991 123.814 119.800 0.039 0.000 2.356 113 Q HA 0.538 4.878 4.340 0.000 0.000 0.270 113 Q C -2.692 173.338 176.000 0.050 0.000 1.058 113 Q CA -1.849 53.969 55.803 0.025 0.000 0.802 113 Q CB 2.748 31.523 28.738 0.061 0.000 1.303 113 Q HN 0.475 nan 8.270 nan 0.000 0.444 114 P HA 0.290 nan 4.420 nan 0.000 0.281 114 P C 0.053 177.422 177.300 0.114 0.000 1.281 114 P CA -0.715 62.459 63.100 0.124 0.000 0.811 114 P CB 1.275 33.015 31.700 0.068 0.000 1.154 115 I N 0.210 120.872 120.570 0.154 0.000 2.880 115 I HA -0.078 4.092 4.170 0.000 0.000 0.296 115 I C -0.018 176.174 176.117 0.126 0.000 1.220 115 I CA 0.003 61.373 61.300 0.118 0.000 1.435 115 I CB 0.041 38.165 38.000 0.207 0.000 1.339 115 I HN 0.127 nan 8.210 nan 0.000 0.583 116 L N 7.730 129.016 121.223 0.105 0.000 2.278 116 L HA 0.230 4.571 4.340 0.000 0.000 0.287 116 L C 0.670 177.623 176.870 0.138 0.000 1.072 116 L CA -0.439 54.482 54.840 0.136 0.000 0.819 116 L CB 0.781 42.961 42.059 0.202 0.000 1.176 116 L HN 0.680 nan 8.230 nan 0.000 0.435 117 T N -0.490 114.069 114.554 0.007 0.000 2.816 117 T HA 0.197 4.547 4.350 0.000 0.000 0.282 117 T C 1.393 176.015 174.700 -0.131 0.000 0.993 117 T CA -0.885 61.086 62.100 -0.215 0.000 0.994 117 T CB 1.437 70.100 68.868 -0.343 0.000 1.025 117 T HN 0.194 nan 8.240 nan 0.000 0.529 118 V N 1.286 121.078 119.914 -0.204 0.000 2.392 118 V HA -0.147 3.973 4.120 0.000 0.000 0.249 118 V C 2.810 178.877 176.094 -0.045 0.000 1.059 118 V CA 2.115 64.367 62.300 -0.081 0.000 1.051 118 V CB -1.040 30.748 31.823 -0.059 0.000 0.658 118 V HN 0.931 nan 8.190 nan 0.000 0.455 119 E N -0.238 119.922 120.200 -0.066 0.000 2.106 119 E HA -0.213 4.137 4.350 0.000 0.000 0.192 119 E C 1.969 178.562 176.600 -0.011 0.000 0.984 119 E CA 1.305 57.688 56.400 -0.027 0.000 0.806 119 E CB -0.182 29.501 29.700 -0.028 0.000 0.750 119 E HN 0.602 nan 8.360 nan 0.000 0.458 120 D N 0.563 120.953 120.400 -0.015 0.000 2.144 120 D HA -0.132 4.508 4.640 0.000 0.000 0.199 120 D C 1.926 178.245 176.300 0.031 0.000 0.984 120 D CA 0.958 54.964 54.000 0.010 0.000 0.834 120 D CB -0.007 40.806 40.800 0.021 0.000 0.955 120 D HN 0.193 nan 8.370 nan 0.000 0.465 121 L N 0.637 121.882 121.223 0.036 0.000 2.307 121 L HA -0.001 4.339 4.340 0.000 0.000 0.211 121 L C 2.718 179.616 176.870 0.046 0.000 1.099 121 L CA 0.323 55.194 54.840 0.053 0.000 0.816 121 L CB -0.297 41.791 42.059 0.048 0.000 0.952 121 L HN 0.170 nan 8.230 nan 0.000 0.455 122 C N -1.049 118.270 119.300 0.031 0.000 2.411 122 C HA -0.095 4.365 4.460 0.000 0.000 0.279 122 C C 2.920 177.930 174.990 0.034 0.000 1.288 122 C CA 0.629 59.667 59.018 0.034 0.000 1.764 122 C CB -1.264 26.491 27.740 0.025 0.000 1.974 122 C HN 0.588 nan 8.230 nan 0.000 0.498 123 S N 0.071 115.789 115.700 0.029 0.000 2.501 123 S HA -0.034 4.436 4.470 0.000 0.000 0.220 123 S C 1.446 176.063 174.600 0.028 0.000 0.997 123 S CA 1.200 59.414 58.200 0.023 0.000 0.919 123 S CB -1.049 62.161 63.200 0.016 0.000 0.778 123 S HN 0.661 nan 8.310 nan 0.000 0.523 124 T N 2.656 117.234 114.554 0.040 0.000 2.699 124 T HA -0.158 4.192 4.350 0.000 0.000 0.268 124 T C 1.638 176.366 174.700 0.047 0.000 1.036 124 T CA 1.855 63.984 62.100 0.048 0.000 1.147 124 T CB -0.405 68.505 68.868 0.070 0.000 0.862 124 T HN 0.659 nan 8.240 nan 0.000 0.446 125 E N 0.398 120.628 120.200 0.050 0.000 2.085 125 E HA -0.207 4.143 4.350 0.000 0.000 0.194 125 E C 2.243 178.847 176.600 0.007 0.000 0.994 125 E CA 1.191 57.612 56.400 0.036 0.000 0.801 125 E CB -0.016 29.705 29.700 0.034 0.000 0.743 125 E HN 0.293 nan 8.360 nan 0.000 0.453 126 E N -0.132 120.070 120.200 0.003 0.000 2.106 126 E HA -0.127 4.223 4.350 0.000 0.000 0.192 126 E C 1.926 178.529 176.600 0.005 0.000 0.984 126 E CA 0.864 57.261 56.400 -0.005 0.000 0.806 126 E CB -0.148 29.550 29.700 -0.003 0.000 0.750 126 E HN 0.246 nan 8.360 nan 0.000 0.458 127 V N 0.986 120.908 119.914 0.013 0.000 2.358 127 V HA -0.192 3.928 4.120 0.000 0.000 0.246 127 V C 2.123 178.229 176.094 0.021 0.000 1.047 127 V CA 1.873 64.182 62.300 0.014 0.000 1.035 127 V CB -0.494 31.337 31.823 0.013 0.000 0.658 127 V HN 0.481 nan 8.190 nan 0.000 0.452 128 I N -1.475 119.115 120.570 0.033 0.000 2.439 128 I HA -0.110 4.060 4.170 0.000 0.000 0.251 128 I C 2.657 178.803 176.117 0.048 0.000 1.139 128 I CA 1.525 62.856 61.300 0.052 0.000 1.438 128 I CB -0.749 37.300 38.000 0.081 0.000 1.085 128 I HN 0.130 nan 8.210 nan 0.000 0.427 129 R N 1.302 121.820 120.500 0.030 0.000 2.120 129 R HA -0.043 4.297 4.340 0.000 0.000 0.234 129 R C 1.312 177.624 176.300 0.021 0.000 1.123 129 R CA 1.510 57.623 56.100 0.022 0.000 0.975 129 R CB -0.367 29.928 30.300 -0.007 0.000 0.866 129 R HN 0.529 nan 8.270 nan 0.000 0.446 130 N N 0.741 119.450 118.700 0.014 0.000 2.270 130 N HA -0.040 4.700 4.740 0.000 0.000 0.198 130 N C -0.693 174.820 175.510 0.006 0.000 1.117 130 N CA 0.222 53.277 53.050 0.009 0.000 0.845 130 N CB 0.373 38.862 38.487 0.004 0.000 0.980 130 N HN 0.178 nan 8.380 nan 0.000 0.486 131 D N 0.735 121.140 120.400 0.009 0.000 2.277 131 D HA 0.190 4.830 4.640 0.000 0.000 0.249 131 D C -1.618 174.675 176.300 -0.012 0.000 1.134 131 D CA -1.994 52.006 54.000 0.000 0.000 0.863 131 D CB 2.003 42.807 40.800 0.006 0.000 1.143 131 D HN -0.117 nan 8.370 nan 0.000 0.458 132 P HA -0.163 nan 4.420 nan 0.000 0.215 132 P C 0.842 178.109 177.300 -0.056 0.000 1.153 132 P CA 1.411 64.491 63.100 -0.032 0.000 0.853 132 P CB 0.153 31.836 31.700 -0.028 0.000 0.788 133 A N -0.771 122.010 122.820 -0.066 0.000 1.902 133 A HA -0.150 4.170 4.320 0.000 0.000 0.217 133 A C 2.335 179.828 177.584 -0.151 0.000 1.181 133 A CA 1.764 53.736 52.037 -0.108 0.000 0.623 133 A CB -1.677 17.258 19.000 -0.108 0.000 0.818 133 A HN 0.025 nan 8.150 nan 0.000 0.443 134 V N 0.302 120.157 119.914 -0.099 0.000 2.358 134 V HA -0.263 3.857 4.120 0.000 0.000 0.246 134 V C 2.425 178.458 176.094 -0.101 0.000 1.047 134 V CA 1.974 64.219 62.300 -0.091 0.000 1.035 134 V CB -0.692 31.165 31.823 0.057 0.000 0.658 134 V HN 0.572 nan 8.190 nan 0.000 0.452 135 I N 0.142 120.682 120.570 -0.049 0.000 2.163 135 I HA -0.308 3.862 4.170 0.000 0.000 0.243 135 I C 2.617 178.690 176.117 -0.073 0.000 1.085 135 I CA 2.175 63.456 61.300 -0.031 0.000 1.347 135 I CB -0.419 37.572 38.000 -0.015 0.000 1.044 135 I HN 0.447 nan 8.210 nan 0.000 0.408 136 E N 0.629 120.765 120.200 -0.107 0.000 2.085 136 E HA -0.276 4.074 4.350 0.000 0.000 0.194 136 E C 2.202 178.690 176.600 -0.185 0.000 0.994 136 E CA 1.200 57.526 56.400 -0.123 0.000 0.801 136 E CB 0.095 29.722 29.700 -0.122 0.000 0.743 136 E HN 0.413 nan 8.360 nan 0.000 0.453 137 Q N 0.001 119.606 119.800 -0.326 0.000 2.167 137 Q HA -0.127 4.213 4.340 0.000 0.000 0.202 137 Q C 2.379 178.170 176.000 -0.348 0.000 0.970 137 Q CA 1.177 56.648 55.803 -0.552 0.000 0.855 137 Q CB -0.601 27.358 28.738 -1.298 0.000 0.911 137 Q HN 0.447 nan 8.270 nan 0.000 0.438 138 C N -0.339 118.866 119.300 -0.158 0.000 2.446 138 C HA -0.050 4.410 4.460 0.000 0.000 0.277 138 C C 2.857 177.848 174.990 0.001 0.000 1.275 138 C CA 0.334 59.385 59.018 0.055 0.000 1.727 138 C CB -0.908 26.897 27.740 0.108 0.000 2.010 138 C HN 0.250 nan 8.230 nan 0.000 0.486 139 V N 0.681 120.574 119.914 -0.035 0.000 2.287 139 V HA -0.201 3.919 4.120 0.000 0.000 0.248 139 V C 2.380 178.450 176.094 -0.039 0.000 1.053 139 V CA 1.671 63.952 62.300 -0.032 0.000 1.027 139 V CB -0.676 31.125 31.823 -0.036 0.000 0.646 139 V HN 0.403 nan 8.190 nan 0.000 0.447 140 L N 0.122 121.308 121.223 -0.061 0.000 2.187 140 L HA -0.098 4.242 4.340 0.000 0.000 0.213 140 L C 2.302 179.155 176.870 -0.028 0.000 1.100 140 L CA 1.767 56.575 54.840 -0.055 0.000 0.765 140 L CB -0.848 41.159 42.059 -0.087 0.000 0.904 140 L HN 0.290 nan 8.230 nan 0.000 0.437 141 S N -0.991 114.705 115.700 -0.007 0.000 2.593 141 S HA 0.311 4.781 4.470 0.000 0.000 0.217 141 S C 1.378 175.969 174.600 -0.015 0.000 0.966 141 S CA 0.597 58.812 58.200 0.026 0.000 0.914 141 S CB 0.160 63.435 63.200 0.125 0.000 0.776 141 S HN 0.611 nan 8.310 nan 0.000 0.523 142 G N 1.353 110.134 108.800 -0.031 0.000 2.148 142 G HA2 -0.182 3.778 3.960 0.000 0.000 0.203 142 G HA3 -0.182 3.778 3.960 0.000 0.000 0.203 142 G C -0.107 174.742 174.900 -0.085 0.000 0.993 142 G CA -0.509 44.559 45.100 -0.054 0.000 0.661 142 G HN 0.472 nan 8.290 nan 0.000 0.518 143 I N 1.543 122.072 120.570 -0.069 0.000 2.382 143 I HA 0.315 4.485 4.170 0.000 0.000 0.286 143 I C -2.241 173.870 176.117 -0.010 0.000 1.002 143 I CA -2.487 58.771 61.300 -0.071 0.000 1.135 143 I CB 2.115 40.075 38.000 -0.067 0.000 1.288 143 I HN -0.173 nan 8.210 nan 0.000 0.448 144 P HA -0.005 nan 4.420 nan 0.000 0.266 144 P C 0.560 177.882 177.300 0.038 0.000 1.195 144 P CA 0.078 63.191 63.100 0.022 0.000 0.768 144 P CB 0.907 32.627 31.700 0.034 0.000 0.838 145 A N 3.846 126.683 122.820 0.029 0.000 2.024 145 A HA -0.220 4.100 4.320 0.000 0.000 0.220 145 A C 1.452 179.071 177.584 0.058 0.000 1.164 145 A CA 1.901 53.958 52.037 0.033 0.000 0.643 145 A CB -1.368 17.642 19.000 0.016 0.000 0.806 145 A HN 0.808 nan 8.150 nan 0.000 0.451 146 N N -1.327 117.414 118.700 0.068 0.000 2.362 146 N HA 0.065 4.805 4.740 0.000 0.000 0.204 146 N C 0.295 175.918 175.510 0.188 0.000 1.166 146 N CA 0.290 53.398 53.050 0.097 0.000 0.831 146 N CB 0.118 38.646 38.487 0.069 0.000 1.008 146 N HN 0.551 nan 8.380 nan 0.000 0.472 147 E N -0.115 120.183 120.200 0.164 0.000 2.812 147 E HA 0.177 4.527 4.350 0.000 0.000 0.211 147 E C 0.742 177.354 176.600 0.020 0.000 0.986 147 E CA -0.289 56.187 56.400 0.126 0.000 1.119 147 E CB 0.370 30.123 29.700 0.088 0.000 1.046 147 E HN 0.309 nan 8.360 nan 0.000 0.474 148 M N 0.933 120.601 119.600 0.113 0.000 2.358 148 M HA -0.125 4.355 4.480 0.000 0.000 0.264 148 M C 1.908 178.213 176.300 0.008 0.000 1.064 148 M CA 1.384 56.724 55.300 0.067 0.000 1.093 148 M CB -1.002 31.641 32.600 0.071 0.000 1.401 148 M HN 0.353 nan 8.290 nan 0.000 0.440 149 H N -1.033 118.023 119.070 -0.022 0.000 2.559 149 H HA 0.039 4.595 4.556 0.000 0.000 0.273 149 H C 1.000 176.260 175.328 -0.114 0.000 1.000 149 H CA 0.711 56.705 56.048 -0.091 0.000 1.195 149 H CB -0.458 29.271 29.762 -0.056 0.000 1.368 149 H HN 0.362 nan 8.280 nan 0.000 0.592 150 K N 0.836 120.965 120.400 -0.452 0.000 2.367 150 K HA 0.214 4.534 4.320 0.000 0.000 0.194 150 K C 0.023 176.653 176.600 0.050 0.000 1.027 150 K CA -0.073 56.067 56.287 -0.244 0.000 1.075 150 K CB 1.253 33.586 32.500 -0.277 0.000 0.845 150 K HN -0.000 nan 8.250 nan 0.000 0.529 151 V N 2.029 121.957 119.914 0.024 0.000 2.465 151 V HA 0.215 4.335 4.120 0.000 0.000 0.279 151 V C -0.642 175.452 176.094 -0.000 0.000 1.045 151 V CA -0.449 61.947 62.300 0.160 0.000 0.938 151 V CB 0.350 32.257 31.823 0.139 0.000 0.986 151 V HN 0.034 nan 8.190 nan 0.000 0.467 152 Y N 2.611 122.954 120.300 0.072 0.000 2.634 152 Y HA 0.788 5.338 4.550 0.000 0.000 0.340 152 Y C 0.174 176.142 175.900 0.113 0.000 1.058 152 Y CA -1.009 57.132 58.100 0.068 0.000 1.081 152 Y CB 2.068 40.544 38.460 0.027 0.000 1.295 152 Y HN 0.867 nan 8.280 nan 0.000 0.487 153 C N -0.962 118.518 119.300 0.300 0.000 3.090 153 C HA 0.596 5.056 4.460 0.000 0.000 0.347 153 C C -1.782 173.381 174.990 0.288 0.000 1.147 153 C CA -0.980 58.197 59.018 0.265 0.000 1.305 153 C CB 1.320 29.146 27.740 0.144 0.000 1.692 153 C HN 0.754 nan 8.230 nan 0.000 0.506 154 D N 4.701 125.325 120.400 0.372 0.000 2.313 154 D HA 0.453 5.093 4.640 0.000 0.000 0.239 154 D C -2.218 174.338 176.300 0.427 0.000 1.142 154 D CA -1.035 53.206 54.000 0.402 0.000 0.847 154 D CB 1.835 42.980 40.800 0.577 0.000 1.082 154 D HN 0.575 nan 8.370 nan 0.000 0.480 155 P HA 0.163 nan 4.420 nan 0.000 0.281 155 P C -0.798 176.718 177.300 0.359 0.000 1.286 155 P CA -0.427 62.836 63.100 0.272 0.000 0.772 155 P CB 0.404 32.200 31.700 0.159 0.000 0.862 156 W N 1.301 122.665 121.300 0.107 0.000 2.719 156 W HA 0.396 5.056 4.660 0.000 0.000 0.352 156 W C 0.880 177.517 176.519 0.196 0.000 1.085 156 W CA -0.397 57.060 57.345 0.187 0.000 1.187 156 W CB 1.235 30.772 29.460 0.127 0.000 1.417 156 W HN 0.178 nan 8.180 nan 0.000 0.557 157 T N 1.940 116.791 114.554 0.496 0.000 2.900 157 T HA 0.054 4.404 4.350 0.000 0.000 0.307 157 T C 0.978 175.811 174.700 0.221 0.000 1.065 157 T CA -0.183 62.059 62.100 0.236 0.000 1.105 157 T CB 0.384 69.271 68.868 0.032 0.000 0.979 157 T HN 0.491 nan 8.240 nan 0.000 0.544 158 I N 2.517 123.159 120.570 0.121 0.000 3.176 158 I HA 0.120 4.290 4.170 0.000 0.000 0.275 158 I C 1.652 177.803 176.117 0.056 0.000 1.298 158 I CA 1.312 62.657 61.300 0.075 0.000 1.445 158 I CB -0.857 37.163 38.000 0.033 0.000 1.075 158 I HN 1.099 nan 8.210 nan 0.000 0.482 159 G N 0.895 109.730 108.800 0.058 0.000 4.766 159 G HA2 -0.386 3.574 3.960 0.000 0.000 0.314 159 G HA3 -0.386 3.574 3.960 0.000 0.000 0.314 159 G C -0.011 174.994 174.900 0.176 0.000 1.427 159 G CA 0.582 45.676 45.100 -0.009 0.000 1.024 159 G HN 0.444 nan 8.290 nan 0.000 0.754 160 Y N 1.778 122.116 120.300 0.062 0.000 2.376 160 Y HA 0.563 5.113 4.550 0.000 0.000 0.321 160 Y C -2.177 173.781 175.900 0.096 0.000 1.189 160 Y CA -0.589 57.569 58.100 0.096 0.000 1.069 160 Y CB 1.973 40.489 38.460 0.093 0.000 1.292 160 Y HN 0.465 nan 8.280 nan 0.000 0.430 161 D N 5.688 125.658 120.400 -0.716 0.000 2.542 161 D HA 0.127 4.767 4.640 0.000 0.000 0.252 161 D C 0.612 176.480 176.300 -0.719 0.000 1.222 161 D CA -0.237 53.493 54.000 -0.450 0.000 0.895 161 D CB 1.435 42.245 40.800 0.017 0.000 1.207 161 D HN 0.847 nan 8.370 nan 0.000 0.558 162 E N 3.636 123.479 120.200 -0.596 0.000 2.396 162 E HA -0.192 4.158 4.350 0.000 0.000 0.200 162 E C 0.807 177.211 176.600 -0.326 0.000 1.023 162 E CA 0.634 56.831 56.400 -0.338 0.000 0.857 162 E CB -0.012 29.652 29.700 -0.059 0.000 0.775 162 E HN 0.471 nan 8.360 nan 0.000 0.525 163 R N -0.819 119.388 120.500 -0.488 0.000 2.193 163 R HA 0.036 4.376 4.340 0.000 0.000 0.213 163 R C 1.241 176.982 176.300 -0.932 0.000 1.055 163 R CA 1.190 56.776 56.100 -0.857 0.000 0.995 163 R CB 0.075 29.483 30.300 -1.487 0.000 0.893 163 R HN 0.341 nan 8.270 nan 0.000 0.459 164 W N -0.870 120.327 121.300 -0.172 0.000 2.520 164 W HA 0.307 4.967 4.660 0.000 0.000 0.272 164 W C 1.009 177.482 176.519 -0.077 0.000 0.984 164 W CA 0.427 57.705 57.345 -0.111 0.000 1.314 164 W CB -0.046 29.353 29.460 -0.101 0.000 0.945 164 W HN 0.210 nan 8.180 nan 0.000 0.596 165 G N 2.195 111.026 108.800 0.052 0.000 2.634 165 G HA2 -0.430 3.530 3.960 0.000 0.000 0.309 165 G HA3 -0.430 3.530 3.960 0.000 0.000 0.309 165 G C 0.787 175.802 174.900 0.191 0.000 1.265 165 G CA 2.321 47.511 45.100 0.150 0.000 0.998 165 G HN 0.151 nan 8.290 nan 0.000 0.551 166 T N -1.625 113.044 114.554 0.192 0.000 3.134 166 T HA 0.496 4.846 4.350 0.000 0.000 0.260 166 T C 2.138 176.904 174.700 0.111 0.000 1.027 166 T CA 1.022 63.214 62.100 0.154 0.000 0.913 166 T CB 0.664 69.625 68.868 0.156 0.000 1.046 166 T HN 1.600 nan 8.240 nan 0.000 0.553 167 G N 1.888 110.763 108.800 0.124 0.000 2.450 167 G HA2 -0.040 3.920 3.960 0.000 0.000 0.220 167 G HA3 -0.040 3.920 3.960 0.000 0.000 0.220 167 G C 0.469 175.414 174.900 0.075 0.000 1.130 167 G CA 0.332 45.494 45.100 0.104 0.000 0.760 167 G HN 0.515 nan 8.290 nan 0.000 0.557 168 K N -0.870 119.569 120.400 0.064 0.000 2.435 168 K HA 0.410 4.730 4.320 0.000 0.000 0.251 168 K C -0.849 175.743 176.600 -0.013 0.000 0.954 168 K CA -0.925 55.361 56.287 -0.002 0.000 0.820 168 K CB 2.395 34.850 32.500 -0.075 0.000 1.292 168 K HN -0.042 nan 8.250 nan 0.000 0.436 169 R N 2.784 123.269 120.500 -0.025 0.000 2.210 169 R HA 0.229 4.569 4.340 0.000 0.000 0.338 169 R C -1.056 175.218 176.300 -0.043 0.000 1.062 169 R CA -0.397 55.694 56.100 -0.015 0.000 0.902 169 R CB 0.214 30.508 30.300 -0.011 0.000 1.050 169 R HN 0.278 nan 8.270 nan 0.000 0.461 170 L N 2.895 124.095 121.223 -0.039 0.000 2.319 170 L HA 0.494 4.834 4.340 0.000 0.000 0.267 170 L C -0.249 176.617 176.870 -0.006 0.000 1.011 170 L CA -0.644 54.153 54.840 -0.072 0.000 0.818 170 L CB 1.979 43.944 42.059 -0.157 0.000 1.316 170 L HN 0.644 nan 8.230 nan 0.000 0.432 171 Q N 0.686 120.483 119.800 -0.004 0.000 2.451 171 Q HA 0.606 4.946 4.340 0.000 0.000 0.281 171 Q C -1.389 174.638 176.000 0.046 0.000 1.099 171 Q CA -0.839 55.005 55.803 0.067 0.000 0.806 171 Q CB 3.290 32.083 28.738 0.091 0.000 1.419 171 Q HN 0.621 nan 8.270 nan 0.000 0.427 172 Q N -0.096 119.760 119.800 0.093 0.000 2.377 172 Q HA 0.847 5.187 4.340 0.000 0.000 0.271 172 Q C -1.549 174.488 176.000 0.061 0.000 1.077 172 Q CA -1.071 54.755 55.803 0.038 0.000 0.820 172 Q CB 2.060 30.788 28.738 -0.016 0.000 1.347 172 Q HN 0.527 nan 8.270 nan 0.000 0.444 173 A N 3.809 126.640 122.820 0.019 0.000 2.291 173 A HA 0.496 4.816 4.320 0.000 0.000 0.311 173 A C -0.584 176.956 177.584 -0.074 0.000 1.224 173 A CA -0.846 51.210 52.037 0.031 0.000 0.821 173 A CB 0.639 19.674 19.000 0.058 0.000 1.172 173 A HN 0.788 nan 8.150 nan 0.000 0.494 174 L N 3.852 125.024 121.223 -0.084 0.000 2.283 174 L HA 0.255 4.595 4.340 0.000 0.000 0.287 174 L C -0.381 176.372 176.870 -0.195 0.000 1.073 174 L CA -0.507 54.211 54.840 -0.203 0.000 0.822 174 L CB 0.819 42.781 42.059 -0.162 0.000 1.186 174 L HN 0.424 nan 8.230 nan 0.000 0.436 175 V N 4.335 123.997 119.914 -0.421 0.000 2.546 175 V HA 0.309 4.429 4.120 0.000 0.000 0.284 175 V C -0.395 175.325 176.094 -0.624 0.000 1.050 175 V CA -0.231 61.832 62.300 -0.395 0.000 0.981 175 V CB 0.902 32.406 31.823 -0.531 0.000 0.990 175 V HN 0.428 nan 8.190 nan 0.000 0.474 176 Y N 2.787 123.088 120.300 0.002 0.000 2.638 176 Y HA 0.636 5.186 4.550 0.000 0.000 0.339 176 Y C -0.777 175.237 175.900 0.190 0.000 1.084 176 Y CA -0.994 57.133 58.100 0.045 0.000 1.068 176 Y CB 1.989 40.401 38.460 -0.080 0.000 1.294 176 Y HN 0.589 nan 8.280 nan 0.000 0.480 177 Y N 1.064 121.525 120.300 0.268 0.000 2.442 177 Y HA 0.684 5.234 4.550 0.000 0.000 0.344 177 Y C -1.243 174.794 175.900 0.229 0.000 0.976 177 Y CA -1.343 56.897 58.100 0.233 0.000 1.040 177 Y CB 1.440 40.019 38.460 0.198 0.000 1.228 177 Y HN 0.551 nan 8.280 nan 0.000 0.451 178 R N 3.292 123.383 120.500 -0.681 0.000 2.393 178 R HA 0.271 4.611 4.340 0.000 0.000 0.315 178 R C 0.617 176.202 176.300 -1.191 0.000 0.952 178 R CA -0.012 55.590 56.100 -0.829 0.000 0.842 178 R CB 1.775 31.682 30.300 -0.654 0.000 1.163 178 R HN 0.918 nan 8.270 nan 0.000 0.450 179 S N 0.651 115.667 115.700 -1.141 0.000 2.428 179 S HA -0.099 4.371 4.470 0.000 0.000 0.230 179 S C 0.455 174.809 174.600 -0.410 0.000 1.014 179 S CA 0.771 58.614 58.200 -0.595 0.000 0.957 179 S CB 0.038 63.064 63.200 -0.289 0.000 0.784 179 S HN 0.669 nan 8.310 nan 0.000 0.499 180 D N -0.062 120.053 120.400 -0.474 0.000 2.857 180 D HA 0.230 4.870 4.640 0.000 0.000 0.227 180 D C 0.702 176.826 176.300 -0.294 0.000 1.192 180 D CA -0.492 53.338 54.000 -0.283 0.000 0.857 180 D CB 1.546 42.218 40.800 -0.213 0.000 1.645 180 D HN 0.165 nan 8.370 nan 0.000 0.482 181 E N 1.491 121.590 120.200 -0.168 0.000 2.209 181 E HA -0.240 4.110 4.350 0.000 0.000 0.196 181 E C 0.150 176.620 176.600 -0.217 0.000 0.993 181 E CA 1.128 57.445 56.400 -0.139 0.000 0.819 181 E CB 0.010 29.694 29.700 -0.027 0.000 0.745 181 E HN 0.375 nan 8.360 nan 0.000 0.477 182 D N 1.192 121.463 120.400 -0.215 0.000 2.340 182 D HA 0.030 4.670 4.640 0.000 0.000 0.220 182 D C -0.185 175.957 176.300 -0.263 0.000 1.039 182 D CA 0.254 54.111 54.000 -0.238 0.000 0.866 182 D CB -0.087 40.587 40.800 -0.211 0.000 0.913 182 D HN 0.183 nan 8.370 nan 0.000 0.523 183 D N 0.047 120.234 120.400 -0.355 0.000 2.360 183 D HA 0.011 4.651 4.640 0.000 0.000 0.242 183 D C 0.166 176.232 176.300 -0.390 0.000 1.184 183 D CA 0.247 53.974 54.000 -0.455 0.000 0.930 183 D CB 0.884 41.283 40.800 -0.668 0.000 1.161 183 D HN -0.201 nan 8.370 nan 0.000 0.447 184 S N 0.057 115.554 115.700 -0.338 0.000 2.410 184 S HA 0.046 4.516 4.470 0.000 0.000 0.304 184 S C 1.200 175.740 174.600 -0.100 0.000 1.095 184 S CA -0.675 57.412 58.200 -0.189 0.000 1.089 184 S CB 0.504 63.625 63.200 -0.132 0.000 0.968 184 S HN 0.360 nan 8.310 nan 0.000 0.480 185 Q N 4.156 123.775 119.800 -0.302 0.000 2.291 185 Q HA -0.169 4.171 4.340 0.000 0.000 0.206 185 Q C 0.428 176.280 176.000 -0.247 0.000 0.976 185 Q CA 1.591 57.217 55.803 -0.296 0.000 0.875 185 Q CB -0.621 27.787 28.738 -0.549 0.000 0.927 185 Q HN 0.887 nan 8.270 nan 0.000 0.450 186 Y N 2.185 122.439 120.300 -0.076 0.000 2.556 186 Y HA -0.129 4.421 4.550 0.000 0.000 0.290 186 Y C 2.524 178.611 175.900 0.312 0.000 1.149 186 Y CA 1.228 59.336 58.100 0.014 0.000 1.329 186 Y CB -0.153 38.327 38.460 0.033 0.000 0.975 186 Y HN 0.373 nan 8.280 nan 0.000 0.561 187 S N -1.882 114.051 115.700 0.389 0.000 2.558 187 S HA -0.013 4.457 4.470 0.000 0.000 0.217 187 S C 0.151 174.812 174.600 0.102 0.000 0.975 187 S CA 0.215 58.614 58.200 0.331 0.000 0.912 187 S CB -0.338 62.956 63.200 0.156 0.000 0.776 187 S HN 0.442 nan 8.310 nan 0.000 0.526 188 H N 2.271 121.391 119.070 0.083 0.000 2.386 188 H HA 0.458 5.014 4.556 0.000 0.000 0.232 188 H C -2.828 172.614 175.328 0.191 0.000 1.416 188 H CA -1.822 54.285 56.048 0.098 0.000 1.285 188 H CB 0.768 30.567 29.762 0.062 0.000 1.625 188 H HN 0.355 nan 8.280 nan 0.000 0.521 189 P HA 0.105 nan 4.420 nan 0.000 0.277 189 P C -0.055 177.095 177.300 -0.249 0.000 1.240 189 P CA -0.297 62.699 63.100 -0.173 0.000 0.798 189 P CB 1.994 33.556 31.700 -0.230 0.000 0.979 190 L N 1.722 122.723 121.223 -0.369 0.000 2.400 190 L HA 0.237 4.577 4.340 0.000 0.000 0.264 190 L C 1.734 178.396 176.870 -0.347 0.000 1.061 190 L CA -0.425 54.226 54.840 -0.315 0.000 0.799 190 L CB 0.677 42.487 42.059 -0.416 0.000 1.240 190 L HN 0.391 nan 8.230 nan 0.000 0.461 191 D N -0.627 119.683 120.400 -0.150 0.000 2.348 191 D HA -0.039 4.601 4.640 0.000 0.000 0.211 191 D C 0.150 176.588 176.300 0.231 0.000 0.998 191 D CA 0.246 54.261 54.000 0.024 0.000 0.873 191 D CB -0.068 40.784 40.800 0.086 0.000 0.925 191 D HN 0.223 nan 8.370 nan 0.000 0.524 192 F N -0.571 119.427 119.950 0.081 0.000 2.497 192 F HA 0.614 5.141 4.527 0.000 0.000 0.331 192 F C -0.477 175.344 175.800 0.036 0.000 1.060 192 F CA -2.236 55.803 58.000 0.064 0.000 0.989 192 F CB 1.060 40.073 39.000 0.022 0.000 1.245 192 F HN -0.126 nan 8.300 nan 0.000 0.486 193 C N 3.648 123.057 119.300 0.182 0.000 2.455 193 C HA 0.616 5.076 4.460 0.000 0.000 0.321 193 C C -2.833 172.250 174.990 0.155 0.000 1.102 193 C CA -2.018 57.030 59.018 0.051 0.000 1.413 193 C CB 0.215 27.929 27.740 -0.043 0.000 1.952 193 C HN 0.662 nan 8.230 nan 0.000 0.428 194 P HA 0.339 nan 4.420 nan 0.000 0.275 194 P C -0.704 176.649 177.300 0.088 0.000 1.227 194 P CA -0.101 63.090 63.100 0.153 0.000 0.781 194 P CB 0.490 32.285 31.700 0.158 0.000 0.906 195 I N 3.366 123.984 120.570 0.080 0.000 2.362 195 I HA 0.283 4.453 4.170 0.000 0.000 0.289 195 I C -0.126 175.949 176.117 -0.069 0.000 0.994 195 I CA -0.653 60.635 61.300 -0.020 0.000 1.158 195 I CB 1.314 39.254 38.000 -0.100 0.000 1.315 195 I HN 0.037 nan 8.210 nan 0.000 0.451 196 V N 5.080 124.951 119.914 -0.071 0.000 2.513 196 V HA 0.296 4.416 4.120 0.000 0.000 0.299 196 V C 0.027 176.062 176.094 -0.098 0.000 1.035 196 V CA -0.800 61.463 62.300 -0.063 0.000 0.889 196 V CB 2.356 34.173 31.823 -0.009 0.000 0.988 196 V HN 0.627 nan 8.190 nan 0.000 0.440 197 D N 2.969 123.308 120.400 -0.101 0.000 2.336 197 D HA 0.120 4.760 4.640 0.000 0.000 0.249 197 D C 1.157 177.426 176.300 -0.052 0.000 1.213 197 D CA 0.087 54.026 54.000 -0.100 0.000 0.870 197 D CB 1.831 42.574 40.800 -0.095 0.000 1.076 197 D HN 0.618 nan 8.370 nan 0.000 0.483 198 T N 3.245 117.775 114.554 -0.039 0.000 2.684 198 T HA -0.201 4.149 4.350 0.000 0.000 0.267 198 T C 1.561 176.251 174.700 -0.017 0.000 1.036 198 T CA 1.235 63.326 62.100 -0.015 0.000 1.148 198 T CB 0.050 68.917 68.868 -0.002 0.000 0.863 198 T HN 0.597 nan 8.240 nan 0.000 0.436 199 E N 0.539 120.725 120.200 -0.024 0.000 2.047 199 E HA -0.152 4.198 4.350 0.000 0.000 0.191 199 E C 1.915 178.502 176.600 -0.021 0.000 0.987 199 E CA 0.870 57.256 56.400 -0.024 0.000 0.799 199 E CB 0.105 29.788 29.700 -0.028 0.000 0.752 199 E HN 0.307 nan 8.360 nan 0.000 0.449 200 E N 0.683 120.868 120.200 -0.025 0.000 2.435 200 E HA -0.037 4.313 4.350 0.000 0.000 0.195 200 E C -0.080 176.510 176.600 -0.017 0.000 1.029 200 E CA 0.234 56.621 56.400 -0.020 0.000 0.865 200 E CB 0.070 29.756 29.700 -0.024 0.000 0.833 200 E HN 0.223 nan 8.360 nan 0.000 0.510 201 K N 1.142 121.532 120.400 -0.017 0.000 3.419 201 K HA -0.229 4.091 4.320 0.000 0.000 0.272 201 K C -0.284 176.310 176.600 -0.010 0.000 0.973 201 K CA 0.781 57.062 56.287 -0.010 0.000 0.749 201 K CB -1.575 30.922 32.500 -0.004 0.000 1.403 201 K HN 0.308 nan 8.250 nan 0.000 0.456 202 K N -2.488 117.902 120.400 -0.017 0.000 2.568 202 K HA 0.440 4.760 4.320 0.000 0.000 0.273 202 K C -0.589 175.998 176.600 -0.022 0.000 0.951 202 K CA -1.212 55.067 56.287 -0.014 0.000 0.854 202 K CB 1.499 33.991 32.500 -0.013 0.000 1.424 202 K HN -0.096 nan 8.250 nan 0.000 0.427 203 V N 3.475 123.383 119.914 -0.010 0.000 2.508 203 V HA 0.081 4.201 4.120 0.000 0.000 0.281 203 V C 1.231 177.321 176.094 -0.007 0.000 1.041 203 V CA -0.097 62.199 62.300 -0.007 0.000 1.016 203 V CB 0.275 32.103 31.823 0.008 0.000 0.984 203 V HN 0.843 nan 8.190 nan 0.000 0.478 204 I N 1.531 122.089 120.570 -0.020 0.000 4.057 204 I HA 0.551 4.721 4.170 0.000 0.000 0.334 204 I C 0.104 176.337 176.117 0.193 0.000 1.308 204 I CA 0.401 61.711 61.300 0.018 0.000 1.125 204 I CB 0.425 38.360 38.000 -0.108 0.000 1.034 204 I HN 0.469 nan 8.210 nan 0.000 0.401 205 F N 1.001 120.938 119.950 -0.022 0.000 2.769 205 F HA 0.598 5.125 4.527 0.000 0.000 0.313 205 F C -2.057 173.787 175.800 0.073 0.000 1.146 205 F CA -0.973 57.073 58.000 0.076 0.000 0.934 205 F CB 1.580 40.715 39.000 0.226 0.000 1.283 205 F HN -0.231 nan 8.300 nan 0.000 0.443 206 I N 3.676 124.054 120.570 -0.320 0.000 2.500 206 I HA 0.267 4.438 4.170 0.000 0.000 0.286 206 I C -1.379 174.739 176.117 0.002 0.000 1.063 206 I CA -0.803 60.471 61.300 -0.044 0.000 1.062 206 I CB 1.778 39.718 38.000 -0.101 0.000 1.223 206 I HN 0.354 nan 8.210 nan 0.000 0.435 207 D N 7.637 128.224 120.400 0.311 0.000 2.343 207 D HA 0.414 5.054 4.640 0.000 0.000 0.255 207 D C -0.238 176.208 176.300 0.244 0.000 1.187 207 D CA 0.400 54.628 54.000 0.380 0.000 0.875 207 D CB 1.640 42.670 40.800 0.384 0.000 1.136 207 D HN 0.312 nan 8.370 nan 0.000 0.469 208 I N 4.523 125.204 120.570 0.185 0.000 2.406 208 I HA 0.223 4.393 4.170 0.000 0.000 0.290 208 I C -1.881 174.322 176.117 0.144 0.000 0.999 208 I CA -1.917 59.471 61.300 0.147 0.000 1.124 208 I CB 2.106 40.129 38.000 0.039 0.000 1.289 208 I HN 0.090 nan 8.210 nan 0.000 0.441 209 P HA 0.179 nan 4.420 nan 0.000 0.272 209 P C -0.239 177.120 177.300 0.098 0.000 1.223 209 P CA -0.305 62.881 63.100 0.144 0.000 0.784 209 P CB 1.068 32.883 31.700 0.193 0.000 0.923 210 N N 0.756 119.503 118.700 0.079 0.000 2.142 210 N HA -0.088 4.652 4.740 0.000 0.000 0.186 210 N C 1.010 176.553 175.510 0.055 0.000 1.023 210 N CA 0.992 54.073 53.050 0.052 0.000 0.852 210 N CB -0.033 38.477 38.487 0.039 0.000 0.998 210 N HN 0.405 nan 8.380 nan 0.000 0.424 211 R N 2.320 122.864 120.500 0.075 0.000 2.198 211 R HA 0.132 4.472 4.340 0.000 0.000 0.339 211 R C -0.630 175.718 176.300 0.080 0.000 1.020 211 R CA -0.358 55.784 56.100 0.070 0.000 0.864 211 R CB 0.427 30.774 30.300 0.079 0.000 1.105 211 R HN -0.045 nan 8.270 nan 0.000 0.463 212 R N 3.509 124.044 120.500 0.058 0.000 2.441 212 R HA 0.261 4.601 4.340 0.000 0.000 0.284 212 R C -0.320 176.004 176.300 0.039 0.000 1.070 212 R CA -0.524 55.610 56.100 0.056 0.000 1.047 212 R CB 0.702 31.024 30.300 0.038 0.000 1.016 212 R HN 0.476 nan 8.270 nan 0.000 0.477 213 R N 1.537 122.056 120.500 0.031 0.000 2.483 213 R HA 0.294 4.634 4.340 0.000 0.000 0.303 213 R C -0.397 175.897 176.300 -0.010 0.000 0.987 213 R CA -0.478 55.619 56.100 -0.006 0.000 0.881 213 R CB 1.815 32.086 30.300 -0.049 0.000 1.177 213 R HN 0.352 nan 8.270 nan 0.000 0.451 214 K N 1.223 121.616 120.400 -0.010 0.000 2.168 214 K HA 0.284 4.604 4.320 0.000 0.000 0.258 214 K C -0.026 176.556 176.600 -0.030 0.000 1.010 214 K CA -0.735 55.545 56.287 -0.011 0.000 0.929 214 K CB 0.837 33.328 32.500 -0.015 0.000 0.998 214 K HN 0.152 nan 8.250 nan 0.000 0.479 215 V N 1.651 121.543 119.914 -0.036 0.000 2.843 215 V HA -0.119 4.001 4.120 0.000 0.000 0.305 215 V C 0.844 176.934 176.094 -0.007 0.000 1.120 215 V CA 0.182 62.459 62.300 -0.038 0.000 1.254 215 V CB 0.892 32.644 31.823 -0.118 0.000 0.901 215 V HN 0.811 nan 8.190 nan 0.000 0.503 216 S N 3.276 118.976 115.700 0.000 0.000 2.560 216 S HA 0.111 4.581 4.470 0.000 0.000 0.284 216 S C 0.823 175.514 174.600 0.152 0.000 1.327 216 S CA -0.173 58.026 58.200 -0.002 0.000 1.055 216 S CB 0.292 63.314 63.200 -0.296 0.000 0.868 216 S HN 0.764 nan 8.310 nan 0.000 0.506 217 K N 2.145 122.599 120.400 0.090 0.000 2.372 217 K HA 0.120 4.440 4.320 0.000 0.000 0.200 217 K C -0.156 176.484 176.600 0.067 0.000 1.022 217 K CA -0.055 56.271 56.287 0.066 0.000 1.125 217 K CB 0.094 32.565 32.500 -0.048 0.000 0.855 217 K HN 0.684 nan 8.250 nan 0.000 0.524 218 H N 1.179 120.361 119.070 0.187 0.000 2.603 218 H HA 0.119 4.675 4.556 0.000 0.000 0.370 218 H C 0.069 175.621 175.328 0.374 0.000 1.225 218 H CA 0.149 56.318 56.048 0.201 0.000 1.410 218 H CB 0.634 30.453 29.762 0.094 0.000 1.495 218 H HN -0.162 nan 8.280 nan 0.000 0.602 219 K N 0.857 121.526 120.400 0.448 0.000 2.276 219 K HA 0.074 4.394 4.320 0.000 0.000 0.259 219 K C -0.437 176.458 176.600 0.492 0.000 1.001 219 K CA -0.233 56.286 56.287 0.387 0.000 0.927 219 K CB 0.261 32.932 32.500 0.285 0.000 0.969 219 K HN 0.515 nan 8.250 nan 0.000 0.490 220 H N -0.030 119.143 119.070 0.172 0.000 2.707 220 H HA 0.145 4.701 4.556 0.000 0.000 0.359 220 H C -0.263 175.042 175.328 -0.039 0.000 1.113 220 H CA 0.134 56.233 56.048 0.085 0.000 1.422 220 H CB 0.843 30.500 29.762 -0.174 0.000 1.443 220 H HN 0.653 nan 8.280 nan 0.000 0.591 221 A N 4.381 127.097 122.820 -0.172 0.000 2.527 221 A HA 0.204 4.524 4.320 0.000 0.000 0.313 221 A C -0.075 177.322 177.584 -0.312 0.000 1.410 221 A CA -0.655 51.149 52.037 -0.389 0.000 1.060 221 A CB -0.549 17.940 19.000 -0.853 0.000 1.137 221 A HN 0.666 nan 8.150 nan 0.000 0.542 222 N N 0.945 119.475 118.700 -0.283 0.000 2.485 222 N HA 0.642 5.382 4.740 0.000 0.000 0.280 222 N C -0.150 175.247 175.510 -0.187 0.000 1.205 222 N CA -0.379 52.381 53.050 -0.483 0.000 0.959 222 N CB 1.191 39.035 38.487 -1.072 0.000 1.206 222 N HN 0.581 nan 8.380 nan 0.000 0.545 223 F N -2.364 117.572 119.950 -0.024 0.000 2.915 223 F HA 0.445 4.972 4.527 0.000 0.000 0.347 223 F C -0.295 175.550 175.800 0.074 0.000 1.104 223 F CA -0.802 57.201 58.000 0.005 0.000 1.126 223 F CB -0.547 38.377 39.000 -0.126 0.000 1.145 223 F HN 0.191 nan 8.300 nan 0.000 0.541 224 Y N 2.599 123.041 120.300 0.236 0.000 2.314 224 Y HA 0.326 4.876 4.550 0.000 0.000 0.334 224 Y C -1.051 174.892 175.900 0.071 0.000 1.266 224 Y CA -1.585 56.613 58.100 0.163 0.000 1.391 224 Y CB 0.186 38.648 38.460 0.003 0.000 1.306 224 Y HN -0.227 nan 8.280 nan 0.000 0.558 225 P HA -0.268 nan 4.420 nan 0.000 0.216 225 P C 1.086 178.403 177.300 0.029 0.000 1.157 225 P CA 2.748 65.895 63.100 0.079 0.000 0.880 225 P CB 0.121 31.857 31.700 0.061 0.000 0.791 226 K N -1.069 119.297 120.400 -0.056 0.000 2.097 226 K HA -0.209 4.111 4.320 0.000 0.000 0.206 226 K C 1.723 178.264 176.600 -0.098 0.000 1.049 226 K CA 1.719 57.930 56.287 -0.128 0.000 0.933 226 K CB -1.168 31.187 32.500 -0.242 0.000 0.717 226 K HN 0.274 nan 8.250 nan 0.000 0.442 227 H N 0.038 119.129 119.070 0.036 0.000 2.363 227 H HA 0.065 4.621 4.556 0.000 0.000 0.301 227 H C 2.153 177.503 175.328 0.037 0.000 1.074 227 H CA 1.413 57.473 56.048 0.020 0.000 1.354 227 H CB 0.058 29.819 29.762 -0.001 0.000 1.397 227 H HN 0.065 nan 8.280 nan 0.000 0.516 228 M N 0.255 119.958 119.600 0.172 0.000 2.159 228 M HA -0.117 4.363 4.480 0.000 0.000 0.263 228 M C 2.277 178.626 176.300 0.081 0.000 1.063 228 M CA 1.261 56.631 55.300 0.116 0.000 1.110 228 M CB -0.661 31.998 32.600 0.099 0.000 1.374 228 M HN 0.329 nan 8.290 nan 0.000 0.411 229 I N -0.205 120.402 120.570 0.062 0.000 2.286 229 I HA -0.290 3.880 4.170 0.000 0.000 0.248 229 I C 2.244 178.390 176.117 0.049 0.000 1.115 229 I CA 1.249 62.574 61.300 0.043 0.000 1.392 229 I CB -0.313 37.701 38.000 0.024 0.000 1.065 229 I HN 0.390 nan 8.210 nan 0.000 0.418 230 E N 0.597 120.833 120.200 0.061 0.000 2.072 230 E HA -0.244 4.106 4.350 0.000 0.000 0.190 230 E C 2.127 178.772 176.600 0.075 0.000 0.982 230 E CA 0.991 57.430 56.400 0.065 0.000 0.803 230 E CB 0.022 29.769 29.700 0.078 0.000 0.755 230 E HN 0.335 nan 8.360 nan 0.000 0.453 231 K N 0.939 121.393 120.400 0.090 0.000 1.984 231 K HA -0.084 4.236 4.320 0.000 0.000 0.209 231 K C 1.103 177.749 176.600 0.076 0.000 1.046 231 K CA 1.288 57.630 56.287 0.092 0.000 0.934 231 K CB 0.110 32.673 32.500 0.104 0.000 0.717 231 K HN 0.040 nan 8.250 nan 0.000 0.438 232 V N -3.163 116.792 119.914 0.068 0.000 3.267 232 V HA 0.507 4.627 4.120 0.000 0.000 0.317 232 V C 1.363 177.486 176.094 0.047 0.000 1.131 232 V CA -0.320 62.014 62.300 0.056 0.000 1.031 232 V CB 0.744 32.599 31.823 0.053 0.000 1.159 232 V HN 0.304 nan 8.190 nan 0.000 0.454 233 G N 0.225 109.048 108.800 0.039 0.000 2.586 233 G HA2 0.236 4.197 3.960 0.000 0.000 0.218 233 G HA3 0.236 4.197 3.960 0.000 0.000 0.218 233 G C 0.533 175.451 174.900 0.031 0.000 1.216 233 G CA 1.952 47.072 45.100 0.032 0.000 0.786 233 G HN 1.853 nan 8.290 nan 0.000 0.583 234 A N -2.638 120.200 122.820 0.030 0.000 2.483 234 A HA 0.652 4.972 4.320 0.000 0.000 0.306 234 A C -0.631 176.970 177.584 0.028 0.000 1.137 234 A CA -0.579 51.474 52.037 0.028 0.000 0.626 234 A CB 0.295 19.307 19.000 0.021 0.000 1.352 234 A HN 0.077 nan 8.150 nan 0.000 0.508 235 M N 0.768 120.383 119.600 0.025 0.000 2.227 235 M HA 0.377 4.857 4.480 0.000 0.000 0.316 235 M C 0.566 176.877 176.300 0.019 0.000 1.144 235 M CA 0.049 55.364 55.300 0.024 0.000 1.121 235 M CB 0.177 32.790 32.600 0.022 0.000 1.440 235 M HN 0.708 nan 8.290 nan 0.000 0.473 236 R N 0.659 121.168 120.500 0.016 0.000 2.582 236 R HA 0.360 4.700 4.340 0.000 0.000 0.271 236 R C -2.060 174.246 176.300 0.010 0.000 1.078 236 R CA -1.354 54.754 56.100 0.013 0.000 1.127 236 R CB -0.529 29.777 30.300 0.010 0.000 1.038 236 R HN 0.390 nan 8.270 nan 0.000 0.500 237 P HA -0.043 nan 4.420 nan 0.000 0.270 237 P C -0.746 176.558 177.300 0.006 0.000 1.223 237 P CA -0.199 62.906 63.100 0.008 0.000 0.785 237 P CB 0.473 32.177 31.700 0.007 0.000 0.923 238 E N 1.164 121.367 120.200 0.006 0.000 2.417 238 E HA 0.307 4.657 4.350 0.000 0.000 0.261 238 E C -0.448 176.154 176.600 0.004 0.000 1.000 238 E CA -0.052 56.351 56.400 0.005 0.000 0.919 238 E CB 0.000 29.703 29.700 0.005 0.000 0.955 238 E HN 0.451 nan 8.360 nan 0.000 0.455 239 A N 5.496 128.317 122.820 0.002 0.000 2.304 239 A HA 0.473 4.793 4.320 0.000 0.000 0.271 239 A C -2.058 175.527 177.584 0.002 0.000 1.091 239 A CA -1.333 50.705 52.037 0.002 0.000 0.812 239 A CB -0.157 18.843 19.000 -0.000 0.000 1.056 239 A HN 0.650 nan 8.150 nan 0.000 0.489 240 P HA 0.201 nan 4.420 nan 0.000 0.265 240 P C -2.196 175.105 177.300 0.002 0.000 1.193 240 P CA -0.403 62.698 63.100 0.002 0.000 0.765 240 P CB -0.046 31.655 31.700 0.002 0.000 0.823 241 P HA 0.228 nan 4.420 nan 0.000 0.272 241 P C -0.729 176.573 177.300 0.003 0.000 1.223 241 P CA 0.136 63.238 63.100 0.003 0.000 0.784 241 P CB 0.950 32.652 31.700 0.004 0.000 0.923 242 I N 2.488 123.059 120.570 0.002 0.000 2.437 242 I HA 0.204 4.374 4.170 0.000 0.000 0.279 242 I C 0.003 176.123 176.117 0.005 0.000 1.028 242 I CA -0.642 60.660 61.300 0.003 0.000 1.142 242 I CB 0.820 38.821 38.000 0.001 0.000 1.266 242 I HN 0.174 nan 8.210 nan 0.000 0.461 243 N N 5.915 124.619 118.700 0.007 0.000 2.479 243 N HA 0.400 5.140 4.740 0.000 0.000 0.285 243 N C -0.643 174.875 175.510 0.013 0.000 1.075 243 N CA -0.356 52.700 53.050 0.009 0.000 0.967 243 N CB 2.763 41.255 38.487 0.009 0.000 1.137 243 N HN 0.153 nan 8.380 nan 0.000 0.472 244 V N 1.560 121.483 119.914 0.015 0.000 2.409 244 V HA 0.495 4.615 4.120 0.000 0.000 0.291 244 V C 0.186 176.294 176.094 0.024 0.000 1.020 244 V CA -0.589 61.725 62.300 0.023 0.000 0.848 244 V CB 1.322 33.161 31.823 0.027 0.000 0.990 244 V HN 0.853 nan 8.190 nan 0.000 0.430 245 T N 1.824 116.394 114.554 0.027 0.000 2.906 245 T HA 0.647 4.997 4.350 0.000 0.000 0.295 245 T C -0.745 173.974 174.700 0.030 0.000 1.061 245 T CA -0.796 61.319 62.100 0.026 0.000 1.000 245 T CB 2.323 71.202 68.868 0.019 0.000 1.103 245 T HN 0.501 nan 8.240 nan 0.000 0.486 246 Q N 1.730 121.547 119.800 0.028 0.000 3.122 246 Q HA 0.251 4.591 4.340 0.000 0.000 0.282 246 Q C -1.760 174.248 176.000 0.013 0.000 0.947 246 Q CA -1.996 53.823 55.803 0.026 0.000 0.812 246 Q CB 1.577 30.336 28.738 0.034 0.000 1.333 246 Q HN 0.600 nan 8.270 nan 0.000 0.430 247 P HA -0.222 nan 4.420 nan 0.000 0.217 247 P C 0.106 177.407 177.300 0.001 0.000 1.148 247 P CA 1.424 64.528 63.100 0.007 0.000 0.834 247 P CB 0.442 32.147 31.700 0.009 0.000 0.783 248 E N -0.343 119.857 120.200 0.000 0.000 2.451 248 E HA 0.366 4.716 4.350 0.000 0.000 0.194 248 E C 0.957 177.545 176.600 -0.020 0.000 1.027 248 E CA 0.016 56.412 56.400 -0.007 0.000 0.914 248 E CB 0.083 29.781 29.700 -0.003 0.000 1.054 248 E HN 0.265 nan 8.360 nan 0.000 0.461 249 G N 0.870 109.656 108.800 -0.024 0.000 2.660 249 G HA2 -0.248 3.712 3.960 0.000 0.000 0.215 249 G HA3 -0.248 3.712 3.960 0.000 0.000 0.215 249 G C -0.079 174.779 174.900 -0.070 0.000 1.345 249 G CA -0.464 44.604 45.100 -0.054 0.000 0.877 249 G HN 0.406 nan 8.290 nan 0.000 0.549 250 V N -2.802 117.014 119.914 -0.164 0.000 3.093 250 V HA 0.882 5.002 4.120 0.000 0.000 0.320 250 V C 1.440 177.423 176.094 -0.184 0.000 1.093 250 V CA 0.861 63.034 62.300 -0.213 0.000 1.016 250 V CB 1.502 32.976 31.823 -0.583 0.000 1.096 250 V HN 2.298 nan 8.190 nan 0.000 0.452 251 S N 0.889 116.577 115.700 -0.019 0.000 2.524 251 S HA 0.209 4.679 4.470 0.000 0.000 0.216 251 S C 0.516 175.216 174.600 0.166 0.000 0.987 251 S CA -0.027 58.220 58.200 0.078 0.000 0.909 251 S CB -0.655 62.644 63.200 0.165 0.000 0.781 251 S HN 1.044 nan 8.310 nan 0.000 0.521 252 F N 1.562 121.667 119.950 0.258 0.000 2.371 252 F HA 0.735 5.262 4.527 0.000 0.000 0.329 252 F C -0.120 175.716 175.800 0.060 0.000 1.107 252 F CA -1.331 56.802 58.000 0.222 0.000 1.137 252 F CB 0.706 39.796 39.000 0.150 0.000 1.214 252 F HN -0.074 nan 8.300 nan 0.000 0.536 253 K N 4.172 124.721 120.400 0.249 0.000 2.463 253 K HA 0.428 4.748 4.320 0.000 0.000 0.255 253 K C -1.473 175.170 176.600 0.072 0.000 0.942 253 K CA -0.743 55.602 56.287 0.098 0.000 0.814 253 K CB 1.152 33.674 32.500 0.036 0.000 1.122 253 K HN 0.803 nan 8.250 nan 0.000 0.425 254 M N 3.195 122.821 119.600 0.043 0.000 2.205 254 M HA 0.228 4.708 4.480 0.000 0.000 0.344 254 M C -0.798 175.496 176.300 -0.010 0.000 1.085 254 M CA -0.459 54.800 55.300 -0.069 0.000 1.001 254 M CB 1.786 34.233 32.600 -0.255 0.000 1.626 254 M HN 0.530 nan 8.290 nan 0.000 0.442 255 T N 2.765 117.302 114.554 -0.028 0.000 3.060 255 T HA 0.546 4.896 4.350 0.000 0.000 0.367 255 T C 0.750 175.461 174.700 0.019 0.000 1.229 255 T CA 0.277 62.388 62.100 0.018 0.000 1.104 255 T CB 0.897 69.784 68.868 0.031 0.000 1.083 255 T HN 1.054 nan 8.240 nan 0.000 0.524 256 G N 4.159 112.981 108.800 0.037 0.000 2.543 256 G HA2 -0.307 3.653 3.960 0.000 0.000 0.286 256 G HA3 -0.307 3.653 3.960 0.000 0.000 0.286 256 G C 0.696 175.572 174.900 -0.041 0.000 1.153 256 G CA 0.033 45.155 45.100 0.036 0.000 0.968 256 G HN 0.558 nan 8.290 nan 0.000 0.544 257 N N 0.535 119.162 118.700 -0.121 0.000 2.236 257 N HA 0.218 4.958 4.740 0.000 0.000 0.196 257 N C 0.404 175.650 175.510 -0.440 0.000 1.114 257 N CA 0.574 53.427 53.050 -0.329 0.000 0.859 257 N CB 1.015 39.173 38.487 -0.548 0.000 0.982 257 N HN 0.377 nan 8.380 nan 0.000 0.493 258 V N 2.475 122.239 119.914 -0.251 0.000 2.432 258 V HA 0.187 4.307 4.120 0.000 0.000 0.271 258 V C 0.308 176.219 176.094 -0.305 0.000 1.046 258 V CA -0.419 61.746 62.300 -0.225 0.000 0.945 258 V CB 1.067 32.881 31.823 -0.016 0.000 0.992 258 V HN 0.109 nan 8.190 nan 0.000 0.471 259 M N 5.391 124.664 119.600 -0.545 0.000 2.363 259 M HA 0.526 5.006 4.480 0.000 0.000 0.343 259 M C -0.554 175.466 176.300 -0.466 0.000 1.165 259 M CA 0.169 55.077 55.300 -0.654 0.000 1.046 259 M CB 1.295 33.126 32.600 -1.282 0.000 1.648 259 M HN 0.648 nan 8.290 nan 0.000 0.452 260 E N 3.678 123.766 120.200 -0.185 0.000 2.265 260 E HA 0.451 4.801 4.350 0.000 0.000 0.262 260 E C -2.283 174.425 176.600 0.181 0.000 0.889 260 E CA -0.269 56.122 56.400 -0.015 0.000 0.789 260 E CB 1.689 31.386 29.700 -0.005 0.000 1.221 260 E HN 0.772 nan 8.360 nan 0.000 0.414 261 W N 2.610 123.919 121.300 0.015 0.000 3.827 261 W HA 0.193 4.853 4.660 0.000 0.000 0.307 261 W C -0.260 176.353 176.519 0.158 0.000 1.204 261 W CA -0.394 57.013 57.345 0.103 0.000 1.250 261 W CB 1.462 30.994 29.460 0.119 0.000 1.281 261 W HN 0.432 nan 8.180 nan 0.000 0.494 262 S N 4.989 120.259 115.700 -0.716 0.000 3.491 262 S HA -0.326 4.144 4.470 0.000 0.000 0.371 262 S C 0.843 175.154 174.600 -0.482 0.000 0.980 262 S CA 1.986 59.724 58.200 -0.770 0.000 1.204 262 S CB -1.359 60.965 63.200 -1.461 0.000 0.915 262 S HN 1.024 nan 8.310 nan 0.000 0.482 263 N N -2.417 116.025 118.700 -0.429 0.000 2.967 263 N HA -0.175 4.565 4.740 0.000 0.000 0.218 263 N C -0.171 175.013 175.510 -0.544 0.000 0.870 263 N CA 1.730 54.383 53.050 -0.660 0.000 1.030 263 N CB -1.494 36.206 38.487 -1.312 0.000 1.027 263 N HN 0.562 nan 8.380 nan 0.000 0.603 264 F N 1.602 121.486 119.950 -0.111 0.000 2.399 264 F HA 0.413 4.940 4.527 0.000 0.000 0.342 264 F C 0.964 176.845 175.800 0.136 0.000 1.106 264 F CA 0.269 58.374 58.000 0.175 0.000 1.196 264 F CB 0.885 40.148 39.000 0.438 0.000 1.163 264 F HN -0.173 nan 8.300 nan 0.000 0.547 265 K N 4.509 125.173 120.400 0.439 0.000 2.535 265 K HA 0.571 4.891 4.320 0.000 0.000 0.250 265 K C -1.823 174.986 176.600 0.349 0.000 0.948 265 K CA -0.479 55.933 56.287 0.210 0.000 0.796 265 K CB 1.472 34.047 32.500 0.125 0.000 1.216 265 K HN 0.515 nan 8.250 nan 0.000 0.432 266 F N -0.316 119.648 119.950 0.022 0.000 2.741 266 F HA 0.389 4.916 4.527 0.000 0.000 0.311 266 F C -1.476 174.312 175.800 -0.021 0.000 1.149 266 F CA -1.182 56.829 58.000 0.019 0.000 0.930 266 F CB 0.909 39.888 39.000 -0.035 0.000 1.312 266 F HN 0.407 nan 8.300 nan 0.000 0.450 267 H N 2.570 121.689 119.070 0.081 0.000 2.488 267 H HA 0.535 5.091 4.556 0.000 0.000 0.322 267 H C -1.109 174.199 175.328 -0.032 0.000 1.078 267 H CA -0.564 55.413 56.048 -0.119 0.000 1.260 267 H CB 1.402 30.993 29.762 -0.286 0.000 1.425 267 H HN 0.735 nan 8.280 nan 0.000 0.471 268 I N 5.674 125.959 120.570 -0.475 0.000 2.287 268 I HA 0.215 4.385 4.170 0.000 0.000 0.290 268 I C 1.026 176.994 176.117 -0.248 0.000 1.069 268 I CA -0.308 60.861 61.300 -0.218 0.000 1.237 268 I CB 0.959 38.851 38.000 -0.181 0.000 1.418 268 I HN 0.546 nan 8.210 nan 0.000 0.481 269 G N 5.204 114.023 108.800 0.032 0.000 2.552 269 G HA2 0.709 4.669 3.960 0.000 0.000 0.318 269 G HA3 0.709 4.669 3.960 0.000 0.000 0.318 269 G C -1.493 173.531 174.900 0.206 0.000 1.240 269 G CA -0.317 44.885 45.100 0.171 0.000 1.002 269 G HN 0.388 nan 8.290 nan 0.000 0.493 270 F N 0.438 120.414 119.950 0.043 0.000 2.669 270 F HA 0.443 4.970 4.527 0.000 0.000 0.315 270 F C -1.281 174.588 175.800 0.115 0.000 1.109 270 F CA -0.945 57.087 58.000 0.054 0.000 1.028 270 F CB 1.922 40.948 39.000 0.044 0.000 1.287 270 F HN 0.817 nan 8.300 nan 0.000 0.452 271 N N 2.299 120.918 118.700 -0.135 0.000 2.525 271 N HA 0.250 4.990 4.740 0.000 0.000 0.270 271 N C 0.146 175.610 175.510 -0.076 0.000 1.321 271 N CA -0.499 52.628 53.050 0.128 0.000 0.797 271 N CB 0.428 38.990 38.487 0.125 0.000 1.529 271 N HN 0.524 nan 8.380 nan 0.000 0.491 272 Y N -0.829 119.386 120.300 -0.143 0.000 2.298 272 Y HA -0.032 4.518 4.550 0.000 0.000 0.287 272 Y C 2.039 177.486 175.900 -0.755 0.000 1.164 272 Y CA 1.471 59.079 58.100 -0.820 0.000 1.229 272 Y CB -0.396 37.186 38.460 -1.464 0.000 0.977 272 Y HN 0.657 nan 8.280 nan 0.000 0.538 273 R N 0.334 119.935 120.500 -1.497 0.000 2.056 273 R HA 0.056 4.396 4.340 0.000 0.000 0.215 273 R C 2.042 177.919 176.300 -0.706 0.000 1.205 273 R CA 1.053 56.404 56.100 -1.248 0.000 1.020 273 R CB -0.018 29.341 30.300 -1.570 0.000 0.911 273 R HN 0.426 nan 8.270 nan 0.000 0.451 274 E N -0.233 119.657 120.200 -0.518 0.000 2.358 274 E HA 0.119 4.469 4.350 0.000 0.000 0.195 274 E C 0.865 177.246 176.600 -0.364 0.000 1.010 274 E CA 0.405 56.619 56.400 -0.309 0.000 0.856 274 E CB 0.366 29.977 29.700 -0.148 0.000 0.795 274 E HN 0.570 nan 8.360 nan 0.000 0.504 275 G N 1.856 110.269 108.800 -0.645 0.000 2.514 275 G HA2 -0.333 3.627 3.960 0.000 0.000 0.265 275 G HA3 -0.333 3.627 3.960 0.000 0.000 0.265 275 G C 0.065 174.407 174.900 -0.931 0.000 1.150 275 G CA -0.216 44.276 45.100 -1.012 0.000 0.959 275 G HN 0.184 nan 8.290 nan 0.000 0.556 276 I N 1.065 121.453 120.570 -0.303 0.000 2.710 276 I HA 0.330 4.500 4.170 0.000 0.000 0.286 276 I C 0.318 176.295 176.117 -0.234 0.000 1.181 276 I CA 0.135 61.401 61.300 -0.057 0.000 1.430 276 I CB 0.770 38.834 38.000 0.107 0.000 1.367 276 I HN 0.332 nan 8.210 nan 0.000 0.577 277 V N 7.862 127.646 119.914 -0.217 0.000 2.482 277 V HA 0.344 4.464 4.120 0.000 0.000 0.295 277 V C -0.130 175.814 176.094 -0.249 0.000 1.026 277 V CA -0.532 61.606 62.300 -0.270 0.000 0.856 277 V CB 1.656 33.382 31.823 -0.163 0.000 1.001 277 V HN 0.445 nan 8.190 nan 0.000 0.424 278 L N 4.199 125.183 121.223 -0.399 0.000 2.275 278 L HA 0.683 5.023 4.340 0.000 0.000 0.288 278 L C 0.218 176.987 176.870 -0.169 0.000 1.046 278 L CA 0.143 54.835 54.840 -0.247 0.000 0.805 278 L CB 1.564 43.380 42.059 -0.405 0.000 1.193 278 L HN 0.618 nan 8.230 nan 0.000 0.426 279 S N 0.663 116.342 115.700 -0.035 0.000 2.634 279 S HA 0.302 4.772 4.470 0.000 0.000 0.296 279 S C -0.546 174.070 174.600 0.027 0.000 1.104 279 S CA -0.631 57.493 58.200 -0.126 0.000 0.920 279 S CB 1.755 64.779 63.200 -0.294 0.000 1.111 279 S HN 0.755 nan 8.310 nan 0.000 0.493 280 D N 1.004 121.391 120.400 -0.022 0.000 2.735 280 D HA -0.147 4.493 4.640 0.000 0.000 0.235 280 D C -0.746 175.709 176.300 0.259 0.000 1.175 280 D CA 0.359 54.477 54.000 0.196 0.000 0.683 280 D CB -1.152 39.842 40.800 0.324 0.000 1.008 280 D HN 0.245 nan 8.370 nan 0.000 0.416 281 V N 1.380 121.430 119.914 0.227 0.000 2.461 281 V HA 0.587 4.707 4.120 0.000 0.000 0.275 281 V C 0.869 177.103 176.094 0.232 0.000 1.047 281 V CA 0.267 62.731 62.300 0.273 0.000 0.955 281 V CB 1.458 33.408 31.823 0.210 0.000 0.988 281 V HN 0.517 nan 8.190 nan 0.000 0.471 282 S N 4.460 120.352 115.700 0.319 0.000 2.627 282 S HA 0.776 5.246 4.470 0.000 0.000 0.283 282 S C -1.377 173.433 174.600 0.351 0.000 1.127 282 S CA -0.796 57.566 58.200 0.270 0.000 0.863 282 S CB 2.079 65.403 63.200 0.208 0.000 1.121 282 S HN 0.599 nan 8.310 nan 0.000 0.479 283 Y N 1.682 122.073 120.300 0.151 0.000 2.361 283 Y HA 0.524 5.074 4.550 0.000 0.000 0.337 283 Y C -0.582 175.366 175.900 0.081 0.000 0.965 283 Y CA -0.794 57.338 58.100 0.053 0.000 1.091 283 Y CB 1.604 40.079 38.460 0.024 0.000 1.182 283 Y HN 0.859 nan 8.280 nan 0.000 0.450 284 N N 4.813 123.298 118.700 -0.358 0.000 2.448 284 N HA 0.017 4.757 4.740 0.000 0.000 0.250 284 N C -1.120 174.322 175.510 -0.113 0.000 1.136 284 N CA 0.118 53.058 53.050 -0.183 0.000 0.953 284 N CB 0.198 38.541 38.487 -0.240 0.000 1.251 284 N HN 0.670 nan 8.380 nan 0.000 0.502 285 D N 2.720 123.250 120.400 0.216 0.000 2.517 285 D HA 0.063 4.703 4.640 0.000 0.000 0.220 285 D C -0.437 175.963 176.300 0.167 0.000 1.158 285 D CA -0.090 54.100 54.000 0.316 0.000 0.992 285 D CB -0.809 40.245 40.800 0.424 0.000 1.058 285 D HN 0.564 nan 8.370 nan 0.000 0.516 286 H N 1.499 120.623 119.070 0.091 0.000 2.506 286 H HA -0.195 4.361 4.556 0.000 0.000 0.323 286 H C 1.490 176.831 175.328 0.021 0.000 1.076 286 H CA 0.959 57.028 56.048 0.035 0.000 1.108 286 H CB -0.987 28.798 29.762 0.038 0.000 1.569 286 H HN 0.675 nan 8.280 nan 0.000 0.399 287 G N 0.205 109.046 108.800 0.068 0.000 2.284 287 G HA2 -0.358 3.602 3.960 0.000 0.000 0.230 287 G HA3 -0.358 3.602 3.960 0.000 0.000 0.230 287 G C 0.297 175.221 174.900 0.039 0.000 1.021 287 G CA 0.090 45.217 45.100 0.045 0.000 0.619 287 G HN 0.755 nan 8.290 nan 0.000 0.510 288 N N 0.824 119.562 118.700 0.064 0.000 2.521 288 N HA 0.421 5.161 4.740 0.000 0.000 0.236 288 N C 0.068 175.622 175.510 0.073 0.000 1.067 288 N CA -0.372 52.711 53.050 0.055 0.000 0.939 288 N CB 0.673 39.193 38.487 0.054 0.000 1.201 288 N HN 0.071 nan 8.380 nan 0.000 0.511 289 V N 4.665 124.611 119.914 0.053 0.000 2.415 289 V HA 0.136 4.256 4.120 0.000 0.000 0.267 289 V C 0.442 176.594 176.094 0.097 0.000 1.042 289 V CA 0.036 62.380 62.300 0.072 0.000 1.000 289 V CB -0.080 31.771 31.823 0.045 0.000 1.015 289 V HN 0.595 nan 8.190 nan 0.000 0.478 290 R N 5.900 126.498 120.500 0.164 0.000 2.338 290 R HA 0.461 4.801 4.340 0.000 0.000 0.317 290 R C -2.746 173.684 176.300 0.216 0.000 0.968 290 R CA -1.868 54.337 56.100 0.175 0.000 0.849 290 R CB 1.519 31.932 30.300 0.189 0.000 1.128 290 R HN 0.396 nan 8.270 nan 0.000 0.448 291 P HA 0.128 nan 4.420 nan 0.000 0.272 291 P C -0.099 177.234 177.300 0.055 0.000 1.223 291 P CA 0.050 63.221 63.100 0.117 0.000 0.784 291 P CB 0.874 32.632 31.700 0.096 0.000 0.923 292 I N -0.587 119.913 120.570 -0.117 0.000 3.669 292 I HA 0.217 4.387 4.170 0.000 0.000 0.255 292 I C -0.144 175.610 176.117 -0.605 0.000 1.144 292 I CA 0.397 61.354 61.300 -0.571 0.000 1.447 292 I CB 0.248 37.663 38.000 -0.976 0.000 1.622 292 I HN 0.118 nan 8.210 nan 0.000 0.435 293 F N 0.093 119.992 119.950 -0.085 0.000 2.565 293 F HA 0.366 4.893 4.527 0.000 0.000 0.313 293 F C 0.988 176.793 175.800 0.008 0.000 1.091 293 F CA -0.955 57.000 58.000 -0.075 0.000 0.915 293 F CB 0.829 39.738 39.000 -0.153 0.000 1.208 293 F HN -0.017 nan 8.300 nan 0.000 0.453 294 H N 1.501 120.647 119.070 0.126 0.000 2.465 294 H HA 0.305 4.861 4.556 0.000 0.000 0.289 294 H C 0.061 175.376 175.328 -0.023 0.000 1.022 294 H CA 0.767 56.836 56.048 0.036 0.000 1.340 294 H CB 0.581 30.325 29.762 -0.030 0.000 1.437 294 H HN 0.590 nan 8.280 nan 0.000 0.539 295 R N 0.489 120.912 120.500 -0.128 0.000 2.579 295 R HA 0.372 4.712 4.340 0.000 0.000 0.260 295 R C -2.199 173.948 176.300 -0.255 0.000 1.103 295 R CA -0.483 55.466 56.100 -0.252 0.000 0.942 295 R CB 1.861 31.991 30.300 -0.283 0.000 1.251 295 R HN 0.228 nan 8.270 nan 0.000 0.450 296 I N 2.659 123.033 120.570 -0.327 0.000 2.692 296 I HA 0.626 4.796 4.170 0.000 0.000 0.293 296 I C -1.544 174.306 176.117 -0.445 0.000 1.200 296 I CA -0.080 60.982 61.300 -0.396 0.000 1.036 296 I CB 2.126 39.831 38.000 -0.491 0.000 1.258 296 I HN 0.938 nan 8.210 nan 0.000 0.421 297 S N 6.128 121.685 115.700 -0.238 0.000 2.663 297 S HA 0.491 4.962 4.470 0.000 0.000 0.264 297 S C -1.760 172.951 174.600 0.186 0.000 1.112 297 S CA -1.079 57.067 58.200 -0.091 0.000 0.823 297 S CB 0.926 64.026 63.200 -0.166 0.000 1.111 297 S HN 0.604 nan 8.310 nan 0.000 0.476 298 L N 2.665 124.051 121.223 0.271 0.000 2.264 298 L HA 0.492 4.833 4.340 0.000 0.000 0.289 298 L C 1.280 178.205 176.870 0.092 0.000 1.044 298 L CA -0.170 54.799 54.840 0.215 0.000 0.807 298 L CB 1.677 43.893 42.059 0.262 0.000 1.192 298 L HN 1.020 nan 8.230 nan 0.000 0.425 299 S N 0.793 116.531 115.700 0.064 0.000 2.503 299 S HA 0.193 4.663 4.470 0.000 0.000 0.215 299 S C 0.323 174.939 174.600 0.028 0.000 1.003 299 S CA -0.153 58.114 58.200 0.110 0.000 0.910 299 S CB 0.466 63.781 63.200 0.192 0.000 0.790 299 S HN 0.664 nan 8.310 nan 0.000 0.514 300 E N -0.715 119.389 120.200 -0.159 0.000 2.417 300 E HA 0.664 5.014 4.350 0.000 0.000 0.280 300 E C -1.781 174.656 176.600 -0.271 0.000 1.112 300 E CA -0.421 55.825 56.400 -0.256 0.000 0.863 300 E CB 1.102 30.550 29.700 -0.421 0.000 1.346 300 E HN 0.318 nan 8.360 nan 0.000 0.443 301 M N 1.428 120.985 119.600 -0.072 0.000 2.644 301 M HA 0.639 5.119 4.480 0.000 0.000 0.273 301 M C -1.394 175.030 176.300 0.207 0.000 1.253 301 M CA -0.853 54.439 55.300 -0.013 0.000 0.852 301 M CB 2.570 35.023 32.600 -0.245 0.000 1.708 301 M HN 0.574 nan 8.290 nan 0.000 0.471 302 I N 0.792 121.432 120.570 0.116 0.000 2.710 302 I HA 0.459 4.629 4.170 0.000 0.000 0.290 302 I C -1.693 174.402 176.117 -0.037 0.000 1.318 302 I CA -0.591 60.753 61.300 0.073 0.000 1.045 302 I CB 1.975 40.001 38.000 0.044 0.000 1.307 302 I HN 0.426 nan 8.210 nan 0.000 0.424 303 V N 8.771 128.697 119.914 0.020 0.000 2.260 303 V HA 0.333 4.453 4.120 0.000 0.000 0.263 303 V C -2.252 173.881 176.094 0.065 0.000 1.036 303 V CA -1.250 61.026 62.300 -0.039 0.000 0.874 303 V CB 0.740 32.577 31.823 0.022 0.000 1.116 303 V HN 0.521 nan 8.190 nan 0.000 0.454 304 P HA 0.204 nan 4.420 nan 0.000 0.276 304 P C -0.533 176.761 177.300 -0.010 0.000 1.253 304 P CA -0.024 63.120 63.100 0.074 0.000 0.766 304 P CB 0.689 32.363 31.700 -0.044 0.000 0.845 305 F N 1.882 121.872 119.950 0.068 0.000 2.382 305 F HA 0.396 4.923 4.527 0.000 0.000 0.331 305 F C 1.934 177.715 175.800 -0.031 0.000 1.121 305 F CA 0.530 58.562 58.000 0.054 0.000 1.183 305 F CB 0.664 39.696 39.000 0.053 0.000 1.207 305 F HN 0.376 nan 8.300 nan 0.000 0.555 306 G N 0.352 109.198 108.800 0.076 0.000 3.434 306 G HA2 0.081 4.041 3.960 0.000 0.000 0.258 306 G HA3 0.081 4.041 3.960 0.000 0.000 0.258 306 G C -0.075 174.733 174.900 -0.154 0.000 1.128 306 G CA -0.042 45.046 45.100 -0.020 0.000 0.792 306 G HN 0.505 nan 8.290 nan 0.000 0.539 307 S N 1.317 116.876 115.700 -0.234 0.000 2.438 307 S HA 0.451 4.921 4.470 0.000 0.000 0.293 307 S C -0.790 173.536 174.600 -0.457 0.000 1.141 307 S CA -1.435 56.476 58.200 -0.482 0.000 1.080 307 S CB 1.880 64.634 63.200 -0.744 0.000 0.978 307 S HN 0.082 nan 8.310 nan 0.000 0.479 308 P HA 0.038 nan 4.420 nan 0.000 0.236 308 P C -0.251 176.920 177.300 -0.216 0.000 1.177 308 P CA 0.291 63.132 63.100 -0.431 0.000 0.773 308 P CB 0.109 31.476 31.700 -0.555 0.000 0.878 309 E N 0.127 120.235 120.200 -0.154 0.000 2.360 309 E HA 0.123 4.473 4.350 0.000 0.000 0.269 309 E C -0.308 176.212 176.600 -0.133 0.000 1.022 309 E CA -0.717 55.661 56.400 -0.036 0.000 0.887 309 E CB 0.245 29.992 29.700 0.079 0.000 0.990 309 E HN 0.050 nan 8.360 nan 0.000 0.426 310 F N 5.450 125.265 119.950 -0.226 0.000 2.572 310 F HA 0.061 4.588 4.527 0.000 0.000 0.370 310 F C -1.362 174.137 175.800 -0.502 0.000 1.103 310 F CA -1.430 56.406 58.000 -0.273 0.000 1.286 310 F CB 0.837 39.743 39.000 -0.157 0.000 1.105 310 F HN 0.349 nan 8.300 nan 0.000 0.583 311 P HA 0.134 nan 4.420 nan 0.000 0.262 311 P C -0.086 176.762 177.300 -0.753 0.000 1.651 311 P CA 0.282 62.584 63.100 -1.330 0.000 1.119 311 P CB -0.369 30.627 31.700 -1.174 0.000 1.552 312 H N 0.550 119.362 119.070 -0.430 0.000 2.545 312 H HA -0.094 4.462 4.556 0.000 0.000 0.282 312 H C 2.286 177.478 175.328 -0.225 0.000 1.020 312 H CA 0.715 56.557 56.048 -0.344 0.000 1.243 312 H CB 0.124 29.685 29.762 -0.335 0.000 1.377 312 H HN 0.237 nan 8.280 nan 0.000 0.581 313 Q N 1.714 121.434 119.800 -0.133 0.000 2.364 313 Q HA -0.123 4.217 4.340 0.000 0.000 0.207 313 Q C 1.327 177.390 176.000 0.106 0.000 0.970 313 Q CA 1.054 56.836 55.803 -0.034 0.000 0.888 313 Q CB -0.100 28.599 28.738 -0.065 0.000 0.951 313 Q HN 0.483 nan 8.270 nan 0.000 0.469 314 R N 0.862 121.346 120.500 -0.027 0.000 2.313 314 R HA 0.152 4.492 4.340 0.000 0.000 0.199 314 R C 0.108 176.391 176.300 -0.027 0.000 0.958 314 R CA 0.162 56.266 56.100 0.006 0.000 1.047 314 R CB 0.256 30.475 30.300 -0.135 0.000 0.955 314 R HN 0.150 nan 8.270 nan 0.000 0.481 315 K N 1.969 122.396 120.400 0.045 0.000 2.296 315 K HA 0.095 4.415 4.320 0.000 0.000 0.257 315 K C -0.415 176.448 176.600 0.440 0.000 1.088 315 K CA -0.119 56.219 56.287 0.084 0.000 0.980 315 K CB 0.514 32.803 32.500 -0.352 0.000 1.430 315 K HN 0.292 nan 8.250 nan 0.000 0.441 316 H N 0.171 119.457 119.070 0.360 0.000 3.225 316 H HA 0.192 4.748 4.556 0.000 0.000 0.205 316 H C -0.763 174.695 175.328 0.217 0.000 1.314 316 H CA -0.707 55.499 56.048 0.263 0.000 1.336 316 H CB -0.600 29.232 29.762 0.118 0.000 2.276 316 H HN 0.363 nan 8.280 nan 0.000 0.535 317 A N 1.904 124.850 122.820 0.210 0.000 2.540 317 A HA 0.313 4.633 4.320 0.000 0.000 0.239 317 A C 0.201 177.814 177.584 0.048 0.000 1.061 317 A CA -0.186 51.892 52.037 0.069 0.000 0.758 317 A CB 0.142 19.148 19.000 0.011 0.000 0.991 317 A HN 0.485 nan 8.150 nan 0.000 0.502 318 L N 3.464 124.675 121.223 -0.020 0.000 2.494 318 L HA 0.211 4.551 4.340 0.000 0.000 0.251 318 L C 0.667 177.472 176.870 -0.109 0.000 1.119 318 L CA -0.087 54.755 54.840 0.003 0.000 1.026 318 L CB 0.622 42.719 42.059 0.064 0.000 1.370 318 L HN 0.752 nan 8.230 nan 0.000 0.426 319 D N 1.141 121.502 120.400 -0.065 0.000 2.157 319 D HA -0.258 4.382 4.640 0.000 0.000 0.191 319 D C 2.018 178.224 176.300 -0.156 0.000 1.004 319 D CA 1.796 55.785 54.000 -0.018 0.000 0.854 319 D CB 0.285 41.112 40.800 0.044 0.000 0.936 319 D HN 0.483 nan 8.370 nan 0.000 0.446 320 I N 0.725 121.163 120.570 -0.220 0.000 2.202 320 I HA -0.163 4.007 4.170 0.000 0.000 0.242 320 I C 2.544 178.450 176.117 -0.350 0.000 1.091 320 I CA 1.465 62.573 61.300 -0.319 0.000 1.368 320 I CB -0.349 37.490 38.000 -0.268 0.000 1.058 320 I HN 0.016 nan 8.210 nan 0.000 0.410 321 G N -0.383 108.247 108.800 -0.283 0.000 2.623 321 G HA2 -0.091 3.869 3.960 0.000 0.000 0.214 321 G HA3 -0.091 3.869 3.960 0.000 0.000 0.214 321 G C 1.420 176.176 174.900 -0.241 0.000 1.138 321 G CA 0.176 45.101 45.100 -0.292 0.000 0.794 321 G HN 0.403 nan 8.290 nan 0.000 0.535 322 E N -1.396 118.613 120.200 -0.319 0.000 2.389 322 E HA 0.138 4.488 4.350 0.000 0.000 0.199 322 E C 0.859 177.112 176.600 -0.579 0.000 0.978 322 E CA 0.250 56.364 56.400 -0.477 0.000 0.912 322 E CB 0.378 29.664 29.700 -0.691 0.000 0.907 322 E HN 0.555 nan 8.360 nan 0.000 0.494 323 Y N -0.424 119.834 120.300 -0.069 0.000 2.640 323 Y HA 0.342 4.892 4.550 0.000 0.000 0.274 323 Y C 0.767 176.653 175.900 -0.023 0.000 1.164 323 Y CA 0.218 58.301 58.100 -0.029 0.000 1.189 323 Y CB 1.100 39.519 38.460 -0.069 0.000 1.333 323 Y HN -0.040 nan 8.280 nan 0.000 0.494 324 G N 0.827 109.570 108.800 -0.096 0.000 3.421 324 G HA2 0.147 4.107 3.960 0.000 0.000 0.686 324 G HA3 0.147 4.107 3.960 0.000 0.000 0.686 324 G C 0.628 175.267 174.900 -0.434 0.000 1.056 324 G CA -0.255 44.642 45.100 -0.338 0.000 0.891 324 G HN 0.629 nan 8.290 nan 0.000 0.514 325 A N 1.293 123.721 122.820 -0.654 0.000 2.125 325 A HA 0.334 4.654 4.320 0.000 0.000 0.219 325 A C 2.548 179.900 177.584 -0.388 0.000 1.156 325 A CA 2.451 53.951 52.037 -0.896 0.000 0.671 325 A CB -0.307 18.234 19.000 -0.765 0.000 0.794 325 A HN 2.131 nan 8.150 nan 0.000 0.459 326 G N -1.599 106.993 108.800 -0.348 0.000 2.417 326 G HA2 -0.048 3.912 3.960 0.000 0.000 0.212 326 G HA3 -0.048 3.912 3.960 0.000 0.000 0.212 326 G C 1.374 176.398 174.900 0.207 0.000 1.187 326 G CA 0.773 45.882 45.100 0.015 0.000 0.804 326 G HN 0.408 nan 8.290 nan 0.000 0.534 327 Y N 0.796 120.960 120.300 -0.226 0.000 2.207 327 Y HA 0.009 4.559 4.550 0.000 0.000 0.287 327 Y C 2.840 178.772 175.900 0.053 0.000 1.156 327 Y CA 0.720 58.705 58.100 -0.192 0.000 1.182 327 Y CB -0.350 37.998 38.460 -0.187 0.000 0.979 327 Y HN 0.143 nan 8.280 nan 0.000 0.521 328 M N -1.282 118.436 119.600 0.196 0.000 2.561 328 M HA 0.006 4.486 4.480 0.000 0.000 0.238 328 M C 0.841 177.330 176.300 0.315 0.000 1.131 328 M CA 0.237 55.664 55.300 0.211 0.000 1.046 328 M CB -0.064 32.640 32.600 0.173 0.000 1.532 328 M HN -0.119 nan 8.290 nan 0.000 0.497 329 T N 2.203 116.971 114.554 0.357 0.000 2.940 329 T HA 0.071 4.421 4.350 0.000 0.000 0.309 329 T C 0.156 175.028 174.700 0.287 0.000 1.056 329 T CA -0.084 62.255 62.100 0.398 0.000 1.137 329 T CB 0.272 69.440 68.868 0.499 0.000 0.976 329 T HN 0.231 nan 8.240 nan 0.000 0.547 330 N N 5.003 123.842 118.700 0.231 0.000 2.518 330 N HA 0.361 5.101 4.740 0.000 0.000 0.283 330 N C -2.676 172.896 175.510 0.102 0.000 1.119 330 N CA -1.825 51.315 53.050 0.149 0.000 0.983 330 N CB 0.881 39.438 38.487 0.116 0.000 1.139 330 N HN 0.364 nan 8.380 nan 0.000 0.465 331 P HA 0.141 nan 4.420 nan 0.000 0.276 331 P C -0.436 176.863 177.300 -0.001 0.000 1.243 331 P CA -0.295 62.805 63.100 -0.000 0.000 0.768 331 P CB 0.587 32.275 31.700 -0.021 0.000 0.856 332 L N 2.754 123.975 121.223 -0.003 0.000 2.319 332 L HA 0.194 4.534 4.340 0.000 0.000 0.280 332 L C 0.963 177.817 176.870 -0.026 0.000 1.099 332 L CA 0.193 55.061 54.840 0.047 0.000 0.828 332 L CB 0.153 42.331 42.059 0.197 0.000 1.150 332 L HN 0.312 nan 8.230 nan 0.000 0.442 333 S N 4.815 120.524 115.700 0.016 0.000 2.448 333 S HA 0.238 4.708 4.470 0.000 0.000 0.279 333 S C 0.020 174.656 174.600 0.061 0.000 1.195 333 S CA -0.694 57.506 58.200 0.001 0.000 1.051 333 S CB 0.162 63.370 63.200 0.013 0.000 0.948 333 S HN 0.495 nan 8.310 nan 0.000 0.493 334 L N 5.773 127.036 121.223 0.066 0.000 2.514 334 L HA 0.311 4.651 4.340 0.000 0.000 0.280 334 L C 1.478 178.396 176.870 0.079 0.000 1.223 334 L CA 2.296 57.232 54.840 0.161 0.000 0.864 334 L CB -0.200 41.961 42.059 0.171 0.000 1.118 334 L HN 1.088 nan 8.230 nan 0.000 0.494 335 G N 3.046 111.884 108.800 0.063 0.000 2.363 335 G HA2 -0.348 3.612 3.960 0.000 0.000 0.238 335 G HA3 -0.348 3.612 3.960 0.000 0.000 0.238 335 G C 0.875 175.787 174.900 0.020 0.000 1.062 335 G CA 0.495 45.612 45.100 0.029 0.000 0.629 335 G HN 0.729 nan 8.290 nan 0.000 0.514 336 C N -0.127 119.191 119.300 0.030 0.000 2.742 336 C HA 0.293 4.754 4.460 0.000 0.000 0.284 336 C C 2.367 177.375 174.990 0.030 0.000 1.481 336 C CA 1.307 60.339 59.018 0.023 0.000 1.809 336 C CB -0.724 27.029 27.740 0.023 0.000 1.991 336 C HN 0.545 nan 8.230 nan 0.000 0.660 337 D N 0.317 120.747 120.400 0.050 0.000 2.084 337 D HA -0.051 4.589 4.640 0.000 0.000 0.196 337 D C 0.353 176.692 176.300 0.066 0.000 0.985 337 D CA 1.221 55.263 54.000 0.069 0.000 0.826 337 D CB -0.117 40.737 40.800 0.089 0.000 0.978 337 D HN 0.418 nan 8.370 nan 0.000 0.456 338 c N 2.016 120.640 118.600 0.041 0.000 2.293 338 c HA 0.412 4.982 4.570 0.000 0.000 0.323 338 c C 0.279 174.283 174.090 -0.144 0.000 1.240 338 c CA -1.429 54.841 56.329 -0.099 0.000 1.497 338 c CB 0.830 43.271 42.510 -0.115 0.000 2.171 338 c HN 0.065 nan 8.230 nan 0.000 0.465 339 K N 2.546 122.836 120.400 -0.183 0.000 2.172 339 K HA 0.645 4.965 4.320 0.000 0.000 0.276 339 K C 0.653 177.167 176.600 -0.144 0.000 1.013 339 K CA 0.782 57.002 56.287 -0.112 0.000 0.913 339 K CB 0.846 33.315 32.500 -0.053 0.000 1.055 339 K HN 1.106 nan 8.250 nan 0.000 0.461 340 G N 0.987 109.749 108.800 -0.064 0.000 2.384 340 G HA2 -0.185 3.775 3.960 0.000 0.000 0.204 340 G HA3 -0.185 3.775 3.960 0.000 0.000 0.204 340 G C -1.277 173.619 174.900 -0.007 0.000 1.237 340 G CA -0.555 44.532 45.100 -0.020 0.000 1.060 340 G HN 0.476 nan 8.290 nan 0.000 0.514 341 V N 2.059 121.997 119.914 0.040 0.000 2.372 341 V HA 0.449 4.569 4.120 0.000 0.000 0.261 341 V C 0.451 176.595 176.094 0.084 0.000 1.055 341 V CA -0.345 61.987 62.300 0.054 0.000 0.930 341 V CB 0.523 32.382 31.823 0.060 0.000 1.031 341 V HN 0.568 nan 8.190 nan 0.000 0.479 342 I N 4.227 124.796 120.570 -0.002 0.000 2.525 342 I HA 0.463 4.633 4.170 0.000 0.000 0.301 342 I C -0.071 175.983 176.117 -0.105 0.000 0.992 342 I CA -0.575 60.654 61.300 -0.118 0.000 1.162 342 I CB 1.554 39.270 38.000 -0.473 0.000 1.332 342 I HN 0.549 nan 8.210 nan 0.000 0.458 343 H N 5.729 124.706 119.070 -0.155 0.000 2.587 343 H HA 0.418 4.974 4.556 0.000 0.000 0.325 343 H C -1.633 173.570 175.328 -0.208 0.000 1.012 343 H CA -0.304 55.714 56.048 -0.051 0.000 1.213 343 H CB 0.903 30.768 29.762 0.172 0.000 1.431 343 H HN 0.365 nan 8.280 nan 0.000 0.492 344 Y N 3.804 124.116 120.300 0.020 0.000 2.453 344 Y HA 0.418 4.968 4.550 0.000 0.000 0.326 344 Y C 0.104 176.024 175.900 0.033 0.000 1.186 344 Y CA -0.687 57.434 58.100 0.034 0.000 1.200 344 Y CB 1.594 40.031 38.460 -0.038 0.000 1.247 344 Y HN 0.410 nan 8.280 nan 0.000 0.482 345 L N 2.202 123.531 121.223 0.177 0.000 2.401 345 L HA 0.469 4.809 4.340 0.000 0.000 0.266 345 L C -1.098 175.701 176.870 -0.118 0.000 0.991 345 L CA -1.017 53.838 54.840 0.025 0.000 0.818 345 L CB 2.099 44.147 42.059 -0.019 0.000 1.321 345 L HN 0.576 nan 8.230 nan 0.000 0.413 346 D N 1.035 121.312 120.400 -0.205 0.000 2.326 346 D HA 0.682 5.322 4.640 0.000 0.000 0.251 346 D C -0.470 175.443 176.300 -0.645 0.000 1.023 346 D CA -0.239 53.534 54.000 -0.379 0.000 0.966 346 D CB 2.296 42.896 40.800 -0.333 0.000 1.156 346 D HN 0.554 nan 8.370 nan 0.000 0.494 347 A N 0.823 123.163 122.820 -0.800 0.000 2.355 347 A HA 0.596 4.916 4.320 0.000 0.000 0.324 347 A C -1.018 175.902 177.584 -1.107 0.000 1.117 347 A CA -0.654 50.838 52.037 -0.908 0.000 0.785 347 A CB 1.085 19.570 19.000 -0.859 0.000 1.254 347 A HN 0.550 nan 8.150 nan 0.000 0.453 348 H N 1.217 119.960 119.070 -0.545 0.000 2.609 348 H HA 0.651 5.207 4.556 0.000 0.000 0.344 348 H C -1.394 173.744 175.328 -0.316 0.000 1.040 348 H CA -0.215 55.588 56.048 -0.408 0.000 1.216 348 H CB 1.263 30.941 29.762 -0.139 0.000 1.529 348 H HN 0.537 nan 8.280 nan 0.000 0.519 349 F N -0.119 119.990 119.950 0.265 0.000 2.814 349 F HA 0.488 5.015 4.527 0.000 0.000 0.353 349 F C 0.669 176.570 175.800 0.168 0.000 1.177 349 F CA -1.111 57.043 58.000 0.256 0.000 1.036 349 F CB 0.942 40.190 39.000 0.413 0.000 1.455 349 F HN 0.319 nan 8.300 nan 0.000 0.520 350 S N -0.367 115.560 115.700 0.378 0.000 2.532 350 S HA 0.592 5.062 4.470 0.000 0.000 0.301 350 S C -1.258 173.439 174.600 0.163 0.000 1.083 350 S CA -0.723 57.578 58.200 0.169 0.000 1.025 350 S CB 0.798 64.029 63.200 0.051 0.000 1.056 350 S HN 0.599 nan 8.310 nan 0.000 0.494 351 D N 1.970 122.428 120.400 0.097 0.000 2.506 351 D HA 0.299 4.939 4.640 0.000 0.000 0.272 351 D C 1.190 177.554 176.300 0.106 0.000 1.214 351 D CA -0.747 53.302 54.000 0.081 0.000 1.067 351 D CB 0.247 41.085 40.800 0.062 0.000 1.117 351 D HN 0.523 nan 8.370 nan 0.000 0.578 352 R N -0.631 119.924 120.500 0.093 0.000 2.127 352 R HA -0.154 4.186 4.340 0.000 0.000 0.238 352 R C 1.677 178.103 176.300 0.210 0.000 1.134 352 R CA 1.494 57.672 56.100 0.130 0.000 0.975 352 R CB -0.542 29.795 30.300 0.062 0.000 0.865 352 R HN 0.558 nan 8.270 nan 0.000 0.447 353 A N -0.654 122.255 122.820 0.148 0.000 2.167 353 A HA 0.177 4.497 4.320 0.000 0.000 0.214 353 A C 1.393 179.059 177.584 0.136 0.000 1.151 353 A CA 0.912 53.040 52.037 0.152 0.000 0.735 353 A CB -0.031 19.014 19.000 0.075 0.000 0.802 353 A HN 0.583 nan 8.150 nan 0.000 0.467 354 G N -0.798 108.007 108.800 0.008 0.000 2.144 354 G HA2 -0.153 3.807 3.960 0.000 0.000 0.218 354 G HA3 -0.153 3.807 3.960 0.000 0.000 0.218 354 G C -0.509 174.244 174.900 -0.246 0.000 0.988 354 G CA 0.099 44.942 45.100 -0.427 0.000 0.659 354 G HN 0.458 nan 8.290 nan 0.000 0.522 355 D N 1.201 121.547 120.400 -0.090 0.000 2.177 355 D HA 0.456 5.096 4.640 0.000 0.000 0.247 355 D C -2.440 173.850 176.300 -0.017 0.000 1.063 355 D CA -1.279 52.690 54.000 -0.052 0.000 0.867 355 D CB 1.627 42.417 40.800 -0.016 0.000 1.168 355 D HN 0.024 nan 8.370 nan 0.000 0.445 356 P HA 0.098 nan 4.420 nan 0.000 0.265 356 P C -0.429 176.904 177.300 0.056 0.000 1.193 356 P CA 0.127 63.240 63.100 0.021 0.000 0.765 356 P CB 0.422 32.107 31.700 -0.024 0.000 0.823 357 I N -0.959 119.678 120.570 0.111 0.000 2.646 357 I HA 0.662 4.832 4.170 0.000 0.000 0.299 357 I C -0.736 175.437 176.117 0.093 0.000 1.036 357 I CA -0.634 60.735 61.300 0.115 0.000 1.074 357 I CB 2.563 40.664 38.000 0.168 0.000 1.258 357 I HN 0.056 nan 8.210 nan 0.000 0.430 358 T N 4.178 118.769 114.554 0.063 0.000 2.841 358 T HA 0.529 4.879 4.350 0.000 0.000 0.283 358 T C -0.499 174.158 174.700 -0.072 0.000 1.000 358 T CA -0.495 61.602 62.100 -0.005 0.000 0.977 358 T CB 2.207 71.133 68.868 0.096 0.000 0.979 358 T HN 0.430 nan 8.240 nan 0.000 0.446 359 V N 3.720 123.512 119.914 -0.203 0.000 2.334 359 V HA 0.385 4.505 4.120 0.000 0.000 0.281 359 V C 0.406 176.388 176.094 -0.186 0.000 1.016 359 V CA -0.906 61.321 62.300 -0.122 0.000 0.832 359 V CB 1.252 33.042 31.823 -0.056 0.000 0.999 359 V HN 0.715 nan 8.190 nan 0.000 0.439 360 K N 4.019 124.343 120.400 -0.126 0.000 2.326 360 K HA 0.187 4.507 4.320 0.000 0.000 0.275 360 K C 0.629 177.127 176.600 -0.170 0.000 1.018 360 K CA 0.111 56.309 56.287 -0.149 0.000 0.962 360 K CB 0.055 32.481 32.500 -0.123 0.000 0.953 360 K HN 0.833 nan 8.250 nan 0.000 0.475 361 N N 1.839 120.423 118.700 -0.193 0.000 2.705 361 N HA -0.270 4.470 4.740 0.000 0.000 0.255 361 N C 0.210 175.685 175.510 -0.058 0.000 1.008 361 N CA 0.213 53.159 53.050 -0.173 0.000 0.742 361 N CB -0.608 37.560 38.487 -0.531 0.000 0.906 361 N HN 0.675 nan 8.380 nan 0.000 0.541 362 A N -0.465 122.275 122.820 -0.132 0.000 2.016 362 A HA 0.166 4.486 4.320 0.000 0.000 0.217 362 A C 0.866 178.416 177.584 -0.057 0.000 1.162 362 A CA 1.031 52.973 52.037 -0.158 0.000 0.662 362 A CB 0.682 19.387 19.000 -0.491 0.000 0.812 362 A HN 0.188 nan 8.150 nan 0.000 0.450 363 V N -0.125 119.773 119.914 -0.027 0.000 2.588 363 V HA 0.411 4.531 4.120 0.000 0.000 0.304 363 V C -0.308 175.880 176.094 0.156 0.000 1.042 363 V CA -0.827 61.520 62.300 0.078 0.000 0.877 363 V CB 1.133 32.974 31.823 0.030 0.000 0.996 363 V HN 0.550 nan 8.190 nan 0.000 0.425 364 c N 4.956 123.634 118.600 0.130 0.000 2.456 364 c HA 0.901 5.471 4.570 0.000 0.000 0.325 364 c C -0.605 173.495 174.090 0.017 0.000 1.217 364 c CA -0.749 55.575 56.329 -0.008 0.000 1.687 364 c CB 0.222 42.700 42.510 -0.052 0.000 2.270 364 c HN 0.780 nan 8.230 nan 0.000 0.499 365 I N 5.539 126.074 120.570 -0.059 0.000 2.498 365 I HA 0.643 4.813 4.170 0.000 0.000 0.290 365 I C -0.282 175.787 176.117 -0.079 0.000 1.032 365 I CA -0.095 61.115 61.300 -0.150 0.000 1.073 365 I CB 1.765 39.550 38.000 -0.358 0.000 1.251 365 I HN 0.987 nan 8.210 nan 0.000 0.426 366 H N 3.983 122.873 119.070 -0.301 0.000 2.950 366 H HA 0.451 5.008 4.556 0.000 0.000 0.307 366 H C -2.006 173.247 175.328 -0.124 0.000 1.403 366 H CA -1.114 54.879 56.048 -0.092 0.000 1.145 366 H CB 1.233 30.996 29.762 0.003 0.000 1.844 366 H HN 0.626 nan 8.280 nan 0.000 0.515 367 E N 1.172 121.408 120.200 0.061 0.000 2.207 367 E HA 0.629 4.979 4.350 0.000 0.000 0.270 367 E C -0.968 175.681 176.600 0.081 0.000 0.927 367 E CA -0.943 55.432 56.400 -0.041 0.000 0.799 367 E CB 2.753 32.552 29.700 0.165 0.000 1.172 367 E HN 0.622 nan 8.360 nan 0.000 0.404 368 E N 0.929 121.146 120.200 0.028 0.000 2.393 368 E HA 0.152 4.502 4.350 0.000 0.000 0.273 368 E C -1.305 175.342 176.600 0.078 0.000 0.918 368 E CA -0.962 55.485 56.400 0.079 0.000 0.773 368 E CB 2.008 31.741 29.700 0.055 0.000 1.275 368 E HN 0.531 nan 8.360 nan 0.000 0.451 369 D N 1.010 121.453 120.400 0.072 0.000 2.382 369 D HA -0.006 4.634 4.640 0.000 0.000 0.245 369 D C -0.703 175.621 176.300 0.041 0.000 1.120 369 D CA 0.340 54.377 54.000 0.061 0.000 0.890 369 D CB 1.086 41.913 40.800 0.045 0.000 1.201 369 D HN 0.348 nan 8.370 nan 0.000 0.433 370 D N 1.932 122.356 120.400 0.041 0.000 2.895 370 D HA 0.325 4.965 4.640 0.000 0.000 0.350 370 D C 0.632 176.939 176.300 0.011 0.000 1.389 370 D CA 0.404 54.418 54.000 0.024 0.000 0.812 370 D CB -0.148 40.676 40.800 0.041 0.000 1.164 370 D HN 0.710 nan 8.370 nan 0.000 0.455 371 G N 0.311 109.114 108.800 0.004 0.000 2.539 371 G HA2 -0.257 3.703 3.960 0.000 0.000 0.256 371 G HA3 -0.257 3.703 3.960 0.000 0.000 0.256 371 G C -0.363 174.525 174.900 -0.020 0.000 1.233 371 G CA -0.158 44.938 45.100 -0.007 0.000 0.936 371 G HN 0.309 nan 8.290 nan 0.000 0.571 372 L N 0.538 121.746 121.223 -0.025 0.000 2.326 372 L HA 0.458 4.798 4.340 0.000 0.000 0.278 372 L C 1.645 178.473 176.870 -0.070 0.000 1.092 372 L CA -0.726 54.083 54.840 -0.052 0.000 0.810 372 L CB 1.289 43.334 42.059 -0.025 0.000 1.153 372 L HN 0.570 nan 8.230 nan 0.000 0.439 373 L N 3.943 125.049 121.223 -0.194 0.000 2.168 373 L HA 0.262 4.602 4.340 0.000 0.000 0.203 373 L C -0.183 176.619 176.870 -0.113 0.000 1.078 373 L CA 1.299 55.997 54.840 -0.237 0.000 0.780 373 L CB 0.214 41.958 42.059 -0.524 0.000 0.939 373 L HN 0.584 nan 8.230 nan 0.000 0.451 374 F N -2.627 117.346 119.950 0.037 0.000 2.769 374 F HA 0.565 5.092 4.527 0.000 0.000 0.313 374 F C -0.830 175.001 175.800 0.050 0.000 1.146 374 F CA -1.769 56.254 58.000 0.038 0.000 0.934 374 F CB 0.444 39.462 39.000 0.031 0.000 1.283 374 F HN -0.162 nan 8.300 nan 0.000 0.443 375 K N 0.815 121.430 120.400 0.359 0.000 2.587 375 K HA 0.633 4.953 4.320 0.000 0.000 0.276 375 K C -2.548 174.212 176.600 0.267 0.000 0.956 375 K CA -0.866 55.578 56.287 0.263 0.000 0.857 375 K CB 2.407 34.986 32.500 0.132 0.000 1.431 375 K HN 1.132 nan 8.250 nan 0.000 0.420 376 H N -0.067 119.072 119.070 0.115 0.000 3.151 376 H HA 0.445 5.001 4.556 0.000 0.000 0.333 376 H C -2.020 173.370 175.328 0.103 0.000 1.093 376 H CA -0.258 55.842 56.048 0.087 0.000 1.342 376 H CB 1.850 31.657 29.762 0.075 0.000 1.983 376 H HN 0.526 nan 8.280 nan 0.000 0.503 377 S N 3.201 118.528 115.700 -0.621 0.000 2.542 377 S HA 0.250 4.720 4.470 0.000 0.000 0.293 377 S C -1.268 173.152 174.600 -0.302 0.000 1.089 377 S CA -0.921 57.109 58.200 -0.284 0.000 0.961 377 S CB 1.728 64.912 63.200 -0.027 0.000 1.062 377 S HN 0.656 nan 8.310 nan 0.000 0.483 378 D N 1.508 121.880 120.400 -0.048 0.000 2.280 378 D HA 0.234 4.874 4.640 0.000 0.000 0.243 378 D C 0.842 177.121 176.300 -0.034 0.000 1.129 378 D CA -0.796 53.175 54.000 -0.047 0.000 0.848 378 D CB 0.606 41.337 40.800 -0.115 0.000 1.107 378 D HN 0.449 nan 8.370 nan 0.000 0.471 379 F N 3.760 123.727 119.950 0.029 0.000 2.365 379 F HA 0.034 4.561 4.527 0.000 0.000 0.300 379 F C 1.852 177.494 175.800 -0.263 0.000 1.090 379 F CA 0.395 58.235 58.000 -0.266 0.000 1.408 379 F CB -0.355 38.601 39.000 -0.074 0.000 1.060 379 F HN 0.219 nan 8.300 nan 0.000 0.534 380 R N 0.994 120.879 120.500 -1.025 0.000 2.117 380 R HA -0.172 4.168 4.340 0.000 0.000 0.243 380 R C 0.494 176.613 176.300 -0.302 0.000 1.143 380 R CA 1.743 57.444 56.100 -0.664 0.000 0.968 380 R CB -0.844 29.080 30.300 -0.627 0.000 0.863 380 R HN 0.543 nan 8.270 nan 0.000 0.444 381 D N -1.517 118.730 120.400 -0.255 0.000 2.755 381 D HA 0.020 4.660 4.640 0.000 0.000 0.257 381 D C -0.531 175.668 176.300 -0.169 0.000 1.291 381 D CA -0.457 53.450 54.000 -0.156 0.000 0.836 381 D CB -0.783 39.961 40.800 -0.094 0.000 1.059 381 D HN 0.137 nan 8.370 nan 0.000 0.486 382 N N 1.051 119.567 118.700 -0.305 0.000 2.727 382 N HA -0.288 4.452 4.740 0.000 0.000 0.249 382 N C -0.666 174.611 175.510 -0.388 0.000 1.048 382 N CA 0.323 53.088 53.050 -0.476 0.000 0.714 382 N CB -0.841 37.515 38.487 -0.217 0.000 0.959 382 N HN 0.238 nan 8.380 nan 0.000 0.544 383 F N -4.701 115.252 119.950 0.003 0.000 2.840 383 F HA -0.325 4.202 4.527 0.000 0.000 0.310 383 F C 1.689 177.497 175.800 0.013 0.000 0.688 383 F CA 0.786 58.782 58.000 -0.006 0.000 1.286 383 F CB -2.198 36.805 39.000 0.005 0.000 1.612 383 F HN 0.298 nan 8.300 nan 0.000 0.335 384 A N -1.058 121.833 122.820 0.118 0.000 1.933 384 A HA -0.031 4.289 4.320 0.000 0.000 0.218 384 A C 1.470 179.130 177.584 0.128 0.000 1.175 384 A CA 1.951 54.056 52.037 0.115 0.000 0.628 384 A CB -0.474 18.560 19.000 0.058 0.000 0.814 384 A HN 0.353 nan 8.150 nan 0.000 0.444 385 T N 0.964 115.564 114.554 0.078 0.000 2.727 385 T HA 0.455 4.805 4.350 0.000 0.000 0.295 385 T C -0.266 174.487 174.700 0.088 0.000 0.915 385 T CA 0.561 62.694 62.100 0.057 0.000 1.066 385 T CB 0.236 69.108 68.868 0.006 0.000 0.891 385 T HN 0.332 nan 8.240 nan 0.000 0.516 386 S N 3.516 119.287 115.700 0.118 0.000 2.547 386 S HA 0.729 5.199 4.470 0.000 0.000 0.270 386 S C -1.914 172.774 174.600 0.147 0.000 1.150 386 S CA -0.883 57.403 58.200 0.143 0.000 0.850 386 S CB 1.176 64.508 63.200 0.221 0.000 1.118 386 S HN 0.664 nan 8.310 nan 0.000 0.461 387 L N 3.738 125.056 121.223 0.158 0.000 2.470 387 L HA 0.869 5.209 4.340 0.000 0.000 0.268 387 L C -1.863 175.134 176.870 0.212 0.000 0.964 387 L CA -0.481 54.456 54.840 0.162 0.000 0.839 387 L CB 1.778 43.925 42.059 0.147 0.000 1.276 387 L HN 0.564 nan 8.230 nan 0.000 0.403 388 V N 2.802 122.837 119.914 0.202 0.000 2.638 388 V HA 0.612 4.732 4.120 0.000 0.000 0.306 388 V C -0.500 175.631 176.094 0.061 0.000 1.052 388 V CA -0.405 61.982 62.300 0.145 0.000 0.885 388 V CB 2.132 34.032 31.823 0.128 0.000 0.999 388 V HN 0.781 nan 8.190 nan 0.000 0.424 389 T N 4.613 119.107 114.554 -0.099 0.000 2.840 389 T HA 0.475 4.825 4.350 0.000 0.000 0.287 389 T C -0.172 174.340 174.700 -0.313 0.000 0.991 389 T CA -0.626 61.313 62.100 -0.267 0.000 0.964 389 T CB 1.264 69.784 68.868 -0.580 0.000 0.954 389 T HN 0.533 nan 8.240 nan 0.000 0.438 390 R N 1.455 121.857 120.500 -0.163 0.000 2.490 390 R HA 0.685 5.025 4.340 0.000 0.000 0.278 390 R C 0.132 176.363 176.300 -0.115 0.000 1.069 390 R CA -0.486 55.547 56.100 -0.111 0.000 1.080 390 R CB 0.822 31.098 30.300 -0.040 0.000 1.030 390 R HN 0.696 nan 8.270 nan 0.000 0.491 391 A N 1.471 124.252 122.820 -0.066 0.000 2.295 391 A HA 0.516 4.836 4.320 0.000 0.000 0.318 391 A C -0.505 177.125 177.584 0.077 0.000 1.134 391 A CA -0.349 51.685 52.037 -0.006 0.000 0.827 391 A CB 1.343 20.348 19.000 0.009 0.000 1.136 391 A HN 0.607 nan 8.150 nan 0.000 0.493 392 T N 1.868 116.526 114.554 0.174 0.000 2.861 392 T HA 0.535 4.885 4.350 0.000 0.000 0.287 392 T C -0.561 174.388 174.700 0.416 0.000 1.003 392 T CA -0.678 61.585 62.100 0.272 0.000 0.977 392 T CB 1.305 70.384 68.868 0.352 0.000 0.996 392 T HN 0.778 nan 8.240 nan 0.000 0.448 393 K N 2.396 122.927 120.400 0.219 0.000 2.259 393 K HA 0.692 5.012 4.320 0.000 0.000 0.249 393 K C -1.127 175.280 176.600 -0.323 0.000 0.942 393 K CA -1.095 55.232 56.287 0.067 0.000 0.816 393 K CB 1.837 34.343 32.500 0.011 0.000 1.155 393 K HN 0.353 nan 8.250 nan 0.000 0.428 394 L N 3.548 124.316 121.223 -0.758 0.000 2.282 394 L HA 0.411 4.751 4.340 0.000 0.000 0.288 394 L C -1.307 175.285 176.870 -0.463 0.000 1.033 394 L CA -0.754 53.503 54.840 -0.971 0.000 0.807 394 L CB 1.589 42.643 42.059 -1.675 0.000 1.209 394 L HN 0.595 nan 8.230 nan 0.000 0.423 395 V N 5.846 125.464 119.914 -0.493 0.000 2.448 395 V HA 0.432 4.552 4.120 0.000 0.000 0.295 395 V C -0.109 175.881 176.094 -0.173 0.000 1.025 395 V CA -0.671 61.456 62.300 -0.289 0.000 0.859 395 V CB 2.015 33.596 31.823 -0.403 0.000 0.988 395 V HN 0.512 nan 8.190 nan 0.000 0.431 396 V N 3.904 123.854 119.914 0.060 0.000 2.350 396 V HA 0.655 4.775 4.120 0.000 0.000 0.285 396 V C 0.017 176.255 176.094 0.239 0.000 1.014 396 V CA -0.049 62.323 62.300 0.120 0.000 0.831 396 V CB 1.481 33.409 31.823 0.176 0.000 1.000 396 V HN 0.908 nan 8.190 nan 0.000 0.433 397 S N 4.268 120.074 115.700 0.177 0.000 2.632 397 S HA 0.886 5.356 4.470 0.000 0.000 0.289 397 S C -1.117 173.550 174.600 0.111 0.000 1.115 397 S CA -0.540 57.722 58.200 0.102 0.000 0.889 397 S CB 2.255 65.451 63.200 -0.005 0.000 1.116 397 S HN 0.919 nan 8.310 nan 0.000 0.486 398 Q N 1.416 121.244 119.800 0.047 0.000 2.534 398 Q HA 0.721 5.061 4.340 0.000 0.000 0.290 398 Q C -1.780 174.249 176.000 0.050 0.000 0.991 398 Q CA -0.975 54.916 55.803 0.146 0.000 0.783 398 Q CB 1.398 30.345 28.738 0.349 0.000 1.470 398 Q HN 0.638 nan 8.270 nan 0.000 0.406 399 I N 2.357 123.002 120.570 0.124 0.000 2.512 399 I HA 0.482 4.652 4.170 0.000 0.000 0.287 399 I C -1.239 175.003 176.117 0.208 0.000 1.069 399 I CA -0.864 60.475 61.300 0.065 0.000 1.056 399 I CB 1.478 39.485 38.000 0.012 0.000 1.229 399 I HN 0.690 nan 8.210 nan 0.000 0.429 400 F N 3.146 123.181 119.950 0.141 0.000 2.538 400 F HA 0.805 5.332 4.527 0.000 0.000 0.325 400 F C -0.511 175.389 175.800 0.167 0.000 1.066 400 F CA -0.780 57.316 58.000 0.159 0.000 0.946 400 F CB 1.526 40.621 39.000 0.159 0.000 1.199 400 F HN 0.145 nan 8.300 nan 0.000 0.473 401 T N 2.420 117.205 114.554 0.385 0.000 2.770 401 T HA 0.670 5.020 4.350 0.000 0.000 0.283 401 T C -0.376 174.495 174.700 0.285 0.000 0.988 401 T CA -0.436 61.804 62.100 0.233 0.000 0.957 401 T CB 1.186 70.137 68.868 0.138 0.000 0.930 401 T HN 0.906 nan 8.240 nan 0.000 0.443 402 A N 2.856 125.826 122.820 0.251 0.000 2.801 402 A HA 0.756 5.076 4.320 0.000 0.000 0.344 402 A C 1.192 178.752 177.584 -0.040 0.000 1.322 402 A CA 0.081 52.184 52.037 0.110 0.000 0.913 402 A CB -1.019 18.145 19.000 0.273 0.000 1.140 402 A HN 1.473 nan 8.150 nan 0.000 0.487 403 A N 1.835 124.616 122.820 -0.064 0.000 4.919 403 A HA -0.305 4.015 4.320 0.000 0.000 0.331 403 A C 1.006 178.626 177.584 0.061 0.000 1.849 403 A CA 1.605 53.644 52.037 0.002 0.000 0.713 403 A CB -2.047 16.934 19.000 -0.033 0.000 1.393 403 A HN 1.508 nan 8.150 nan 0.000 0.393 407 Y N 1.364 121.338 120.300 -0.544 0.000 2.356 407 Y HA 0.414 4.964 4.550 0.000 0.000 0.334 407 Y C -0.364 175.262 175.900 -0.457 0.000 0.958 407 Y CA -0.773 56.979 58.100 -0.579 0.000 1.196 407 Y CB 1.138 38.994 38.460 -1.007 0.000 1.137 407 Y HN 0.463 nan 8.280 nan 0.000 0.485 408 C N 5.849 125.047 119.300 -0.171 0.000 2.265 408 C HA 0.560 5.020 4.460 0.000 0.000 0.332 408 C C 0.047 174.842 174.990 -0.326 0.000 1.248 408 C CA -1.176 57.706 59.018 -0.226 0.000 1.727 408 C CB -1.208 26.498 27.740 -0.056 0.000 2.348 408 C HN 0.635 nan 8.230 nan 0.000 0.519 409 L N 4.022 124.981 121.223 -0.440 0.000 2.296 409 L HA 0.509 4.849 4.340 0.000 0.000 0.286 409 L C -1.051 175.462 176.870 -0.595 0.000 1.023 409 L CA -0.421 54.189 54.840 -0.383 0.000 0.812 409 L CB 0.626 42.616 42.059 -0.114 0.000 1.223 409 L HN 0.606 nan 8.230 nan 0.000 0.421 410 Y N 0.856 121.011 120.300 -0.240 0.000 2.332 410 Y HA 0.313 4.863 4.550 0.000 0.000 0.326 410 Y C -0.843 174.873 175.900 -0.307 0.000 0.978 410 Y CA -0.755 57.245 58.100 -0.167 0.000 1.205 410 Y CB 1.044 39.434 38.460 -0.116 0.000 1.131 410 Y HN 0.463 nan 8.280 nan 0.000 0.462 411 W N 3.652 124.969 121.300 0.028 0.000 2.335 411 W HA 0.624 5.284 4.660 0.000 0.000 0.306 411 W C -0.877 175.587 176.519 -0.092 0.000 1.216 411 W CA -0.718 56.579 57.345 -0.081 0.000 1.237 411 W CB 1.054 30.477 29.460 -0.063 0.000 1.243 411 W HN 0.141 nan 8.180 nan 0.000 0.493 412 V N 5.240 125.121 119.914 -0.056 0.000 2.448 412 V HA 0.427 4.547 4.120 0.000 0.000 0.295 412 V C -0.579 175.363 176.094 -0.254 0.000 1.025 412 V CA -1.113 61.130 62.300 -0.095 0.000 0.859 412 V CB 0.746 32.509 31.823 -0.101 0.000 0.988 412 V HN 0.194 nan 8.190 nan 0.000 0.431 413 F N 4.446 124.275 119.950 -0.201 0.000 2.443 413 F HA 0.729 5.256 4.527 0.000 0.000 0.335 413 F C 0.314 176.214 175.800 0.167 0.000 1.104 413 F CA -0.476 57.427 58.000 -0.162 0.000 1.013 413 F CB 1.764 40.546 39.000 -0.363 0.000 1.136 413 F HN 0.277 nan 8.300 nan 0.000 0.470 414 M N 1.900 121.823 119.600 0.538 0.000 2.662 414 M HA 0.316 4.796 4.480 0.000 0.000 0.310 414 M C 0.602 177.309 176.300 0.678 0.000 1.204 414 M CA -0.610 55.032 55.300 0.569 0.000 0.891 414 M CB 2.170 34.946 32.600 0.293 0.000 1.732 414 M HN 0.580 nan 8.290 nan 0.000 0.467 415 Q N 0.732 120.807 119.800 0.459 0.000 2.515 415 Q HA -0.104 4.236 4.340 0.000 0.000 0.212 415 Q C 0.261 176.355 176.000 0.157 0.000 0.970 415 Q CA 0.654 56.601 55.803 0.241 0.000 0.941 415 Q CB -0.055 28.748 28.738 0.109 0.000 0.998 415 Q HN 0.606 nan 8.270 nan 0.000 0.518 416 D N -1.538 118.968 120.400 0.177 0.000 2.363 416 D HA 0.066 4.706 4.640 0.000 0.000 0.214 416 D C 1.106 177.420 176.300 0.024 0.000 1.093 416 D CA 0.580 54.622 54.000 0.069 0.000 0.837 416 D CB 0.398 41.255 40.800 0.096 0.000 0.948 416 D HN 0.203 nan 8.370 nan 0.000 0.507 417 G N -0.038 108.864 108.800 0.169 0.000 2.176 417 G HA2 -0.155 3.805 3.960 0.000 0.000 0.253 417 G HA3 -0.155 3.805 3.960 0.000 0.000 0.253 417 G C 0.501 175.720 174.900 0.532 0.000 0.979 417 G CA 0.132 45.375 45.100 0.239 0.000 0.641 417 G HN 0.808 nan 8.290 nan 0.000 0.530 418 A N -0.225 122.816 122.820 0.370 0.000 2.322 418 A HA 0.802 5.122 4.320 0.000 0.000 0.269 418 A C 0.200 177.915 177.584 0.219 0.000 1.094 418 A CA -0.046 52.153 52.037 0.269 0.000 0.807 418 A CB 0.550 19.621 19.000 0.119 0.000 1.047 418 A HN 0.795 nan 8.150 nan 0.000 0.487 419 I N 0.854 121.476 120.570 0.087 0.000 2.509 419 I HA 0.519 4.689 4.170 0.000 0.000 0.293 419 I C 0.177 176.192 176.117 -0.170 0.000 1.020 419 I CA -0.394 60.766 61.300 -0.234 0.000 1.088 419 I CB 1.960 39.754 38.000 -0.345 0.000 1.267 419 I HN 0.783 nan 8.210 nan 0.000 0.430 420 R N 5.776 126.131 120.500 -0.242 0.000 2.744 420 R HA 0.647 4.987 4.340 0.000 0.000 0.279 420 R C -1.898 174.243 176.300 -0.266 0.000 0.977 420 R CA -0.740 55.239 56.100 -0.201 0.000 0.906 420 R CB 2.313 32.525 30.300 -0.146 0.000 1.197 420 R HN 0.589 nan 8.270 nan 0.000 0.463 421 L N 3.762 124.781 121.223 -0.341 0.000 2.319 421 L HA 0.455 4.795 4.340 0.000 0.000 0.281 421 L C -1.471 175.168 176.870 -0.385 0.000 1.005 421 L CA -0.630 53.894 54.840 -0.527 0.000 0.828 421 L CB 1.562 43.171 42.059 -0.749 0.000 1.227 421 L HN 0.692 nan 8.230 nan 0.000 0.415 422 D N 5.982 126.213 120.400 -0.281 0.000 2.192 422 D HA 0.565 5.205 4.640 0.000 0.000 0.246 422 D C -0.395 175.874 176.300 -0.051 0.000 1.042 422 D CA 0.013 53.925 54.000 -0.145 0.000 0.847 422 D CB 2.743 43.473 40.800 -0.116 0.000 1.186 422 D HN 0.353 nan 8.370 nan 0.000 0.461 423 I N 1.537 122.072 120.570 -0.059 0.000 2.545 423 I HA 0.393 4.563 4.170 0.000 0.000 0.292 423 I C -0.073 176.043 176.117 -0.001 0.000 1.040 423 I CA -0.789 60.486 61.300 -0.042 0.000 1.068 423 I CB 2.181 40.063 38.000 -0.197 0.000 1.251 423 I HN -0.050 nan 8.210 nan 0.000 0.424 424 R N 6.174 126.701 120.500 0.045 0.000 2.513 424 R HA 0.636 4.976 4.340 0.000 0.000 0.301 424 R C -1.399 174.835 176.300 -0.110 0.000 0.968 424 R CA -0.836 55.257 56.100 -0.012 0.000 0.872 424 R CB 2.270 32.606 30.300 0.060 0.000 1.177 424 R HN 0.484 nan 8.270 nan 0.000 0.444 425 L N 2.016 123.125 121.223 -0.190 0.000 2.295 425 L HA 0.540 4.880 4.340 0.000 0.000 0.285 425 L C 0.537 177.241 176.870 -0.277 0.000 1.035 425 L CA -0.296 54.337 54.840 -0.345 0.000 0.806 425 L CB 1.690 43.481 42.059 -0.447 0.000 1.214 425 L HN 0.655 nan 8.230 nan 0.000 0.426 426 T N 0.916 115.288 114.554 -0.303 0.000 2.598 426 T HA 0.824 5.174 4.350 0.000 0.000 0.289 426 T C -0.094 174.464 174.700 -0.236 0.000 1.056 426 T CA 0.413 62.380 62.100 -0.222 0.000 1.088 426 T CB 1.472 70.233 68.868 -0.179 0.000 1.519 426 T HN 1.012 nan 8.240 nan 0.000 0.488 427 G N 0.314 108.985 108.800 -0.216 0.000 2.466 427 G HA2 -0.031 3.929 3.960 0.000 0.000 0.218 427 G HA3 -0.031 3.929 3.960 0.000 0.000 0.218 427 G C -1.069 173.703 174.900 -0.214 0.000 1.237 427 G CA -0.190 44.783 45.100 -0.212 0.000 0.954 427 G HN 0.925 nan 8.290 nan 0.000 0.580 428 I N 0.813 121.251 120.570 -0.219 0.000 2.569 428 I HA 0.469 4.639 4.170 0.000 0.000 0.296 428 I C 0.690 176.706 176.117 -0.168 0.000 1.028 428 I CA -0.910 60.250 61.300 -0.234 0.000 1.082 428 I CB 1.809 39.556 38.000 -0.420 0.000 1.264 428 I HN 0.501 nan 8.210 nan 0.000 0.429 429 L N 4.548 125.775 121.223 0.007 0.000 2.485 429 L HA 0.066 4.406 4.340 0.000 0.000 0.275 429 L C 0.815 177.694 176.870 0.015 0.000 1.207 429 L CA 0.135 55.027 54.840 0.086 0.000 0.855 429 L CB 0.020 42.188 42.059 0.182 0.000 1.114 429 L HN 0.661 nan 8.230 nan 0.000 0.485 430 N N 1.723 120.471 118.700 0.081 0.000 2.497 430 N HA 0.107 4.847 4.740 0.000 0.000 0.271 430 N C -0.799 174.778 175.510 0.113 0.000 1.142 430 N CA -0.170 52.953 53.050 0.121 0.000 0.965 430 N CB 1.006 39.575 38.487 0.137 0.000 1.077 430 N HN 0.698 nan 8.380 nan 0.000 0.462 431 T N 0.706 115.389 114.554 0.216 0.000 2.906 431 T HA 0.447 4.797 4.350 0.000 0.000 0.295 431 T C -1.092 173.692 174.700 0.139 0.000 1.061 431 T CA -0.733 61.450 62.100 0.138 0.000 1.000 431 T CB 1.597 70.593 68.868 0.213 0.000 1.103 431 T HN 0.497 nan 8.240 nan 0.000 0.486 432 Y N 1.110 121.278 120.300 -0.220 0.000 2.576 432 Y HA 0.677 5.227 4.550 0.000 0.000 0.346 432 Y C -0.605 175.199 175.900 -0.160 0.000 1.018 432 Y CA -2.167 55.784 58.100 -0.249 0.000 1.050 432 Y CB 1.526 39.726 38.460 -0.433 0.000 1.280 432 Y HN 1.006 nan 8.280 nan 0.000 0.474 433 I N 4.427 124.370 120.570 -1.044 0.000 2.696 433 I HA 0.252 4.422 4.170 0.000 0.000 0.284 433 I C -1.302 174.550 176.117 -0.442 0.000 1.129 433 I CA -0.276 60.632 61.300 -0.652 0.000 1.410 433 I CB 0.545 38.182 38.000 -0.606 0.000 1.399 433 I HN 0.602 nan 8.210 nan 0.000 0.579 434 L N 7.179 128.268 121.223 -0.223 0.000 2.381 434 L HA 0.634 4.974 4.340 0.000 0.000 0.274 434 L C 0.000 176.824 176.870 -0.077 0.000 0.988 434 L CA -0.101 54.680 54.840 -0.100 0.000 0.824 434 L CB 1.520 43.536 42.059 -0.071 0.000 1.263 434 L HN 0.624 nan 8.230 nan 0.000 0.410 435 G N 2.363 111.143 108.800 -0.032 0.000 2.594 435 G HA2 0.129 4.089 3.960 0.000 0.000 0.243 435 G HA3 0.129 4.089 3.960 0.000 0.000 0.243 435 G C 0.331 175.221 174.900 -0.015 0.000 1.229 435 G CA -0.199 44.889 45.100 -0.019 0.000 0.843 435 G HN 0.786 nan 8.290 nan 0.000 0.578 436 D N 0.118 120.513 120.400 -0.007 0.000 2.149 436 D HA -0.137 4.503 4.640 0.000 0.000 0.198 436 D C 1.541 177.839 176.300 -0.004 0.000 0.990 436 D CA 1.564 55.563 54.000 -0.002 0.000 0.839 436 D CB 0.147 40.953 40.800 0.010 0.000 0.948 436 D HN 0.645 nan 8.370 nan 0.000 0.460 437 D N 0.040 120.441 120.400 0.002 0.000 2.491 437 D HA 0.000 4.640 4.640 0.000 0.000 0.228 437 D C 0.038 176.344 176.300 0.010 0.000 1.183 437 D CA -0.142 53.860 54.000 0.004 0.000 0.827 437 D CB -0.146 40.658 40.800 0.007 0.000 0.989 437 D HN 0.152 nan 8.370 nan 0.000 0.494 438 E N 0.788 120.994 120.200 0.011 0.000 2.166 438 E HA 0.214 4.564 4.350 0.000 0.000 0.275 438 E C -1.019 175.593 176.600 0.020 0.000 0.941 438 E CA -0.700 55.716 56.400 0.026 0.000 0.784 438 E CB 1.485 31.210 29.700 0.042 0.000 1.115 438 E HN -0.038 nan 8.360 nan 0.000 0.399 439 E N 2.939 123.154 120.200 0.024 0.000 2.259 439 E HA 0.283 4.633 4.350 0.000 0.000 0.281 439 E C -0.195 176.423 176.600 0.031 0.000 1.027 439 E CA 0.117 56.523 56.400 0.009 0.000 0.838 439 E CB 1.503 31.197 29.700 -0.010 0.000 1.066 439 E HN 0.548 nan 8.360 nan 0.000 0.401 440 A N 4.140 126.976 122.820 0.027 0.000 1.898 440 A HA 0.218 4.538 4.320 0.000 0.000 0.214 440 A C 1.342 178.952 177.584 0.043 0.000 1.183 440 A CA 0.869 52.947 52.037 0.069 0.000 0.622 440 A CB -0.941 18.094 19.000 0.058 0.000 0.824 440 A HN 0.667 nan 8.150 nan 0.000 0.444 441 G N -0.375 108.405 108.800 -0.032 0.000 2.664 441 G HA2 0.353 4.314 3.960 0.000 0.000 0.242 441 G HA3 0.353 4.314 3.960 0.000 0.000 0.242 441 G C -1.135 173.575 174.900 -0.317 0.000 1.225 441 G CA -0.090 44.932 45.100 -0.129 0.000 0.849 441 G HN 0.267 nan 8.290 nan 0.000 0.581 442 P HA 0.065 nan 4.420 nan 0.000 0.255 442 P C 0.536 177.639 177.300 -0.329 0.000 1.248 442 P CA 0.345 63.110 63.100 -0.559 0.000 0.807 442 P CB 0.161 31.407 31.700 -0.756 0.000 1.150 443 W N 0.728 122.082 121.300 0.090 0.000 3.139 443 W HA 0.366 5.026 4.660 0.000 0.000 0.260 443 W C 1.048 177.663 176.519 0.160 0.000 1.312 443 W CA -0.119 57.282 57.345 0.093 0.000 1.606 443 W CB 0.279 29.744 29.460 0.009 0.000 1.118 443 W HN -0.001 nan 8.180 nan 0.000 0.675 444 G N -0.623 108.370 108.800 0.321 0.000 2.606 444 G HA2 0.516 4.476 3.960 0.000 0.000 0.300 444 G HA3 0.516 4.476 3.960 0.000 0.000 0.300 444 G C -1.470 173.532 174.900 0.169 0.000 1.360 444 G CA -0.634 44.648 45.100 0.304 0.000 0.783 444 G HN -0.295 nan 8.290 nan 0.000 0.484 445 T N 0.042 114.670 114.554 0.124 0.000 2.861 445 T HA 0.475 4.825 4.350 0.000 0.000 0.287 445 T C -0.068 174.635 174.700 0.005 0.000 1.003 445 T CA -0.619 61.518 62.100 0.061 0.000 0.977 445 T CB 1.891 70.801 68.868 0.070 0.000 0.996 445 T HN 0.566 nan 8.240 nan 0.000 0.448 446 R N 2.877 123.369 120.500 -0.013 0.000 2.325 446 R HA 0.289 4.629 4.340 0.000 0.000 0.323 446 R C 1.060 177.321 176.300 -0.064 0.000 1.177 446 R CA -0.218 55.849 56.100 -0.055 0.000 1.018 446 R CB -0.264 30.005 30.300 -0.052 0.000 1.070 446 R HN 0.576 nan 8.270 nan 0.000 0.495 447 V N 2.136 121.976 119.914 -0.123 0.000 3.608 447 V HA 0.256 4.376 4.120 0.000 0.000 0.269 447 V C -0.212 175.867 176.094 -0.025 0.000 1.245 447 V CA 0.111 62.345 62.300 -0.110 0.000 1.138 447 V CB -0.925 30.752 31.823 -0.244 0.000 0.841 447 V HN 0.677 nan 8.190 nan 0.000 0.451 448 Y N -0.841 119.309 120.300 -0.249 0.000 2.620 448 Y HA 0.563 5.113 4.550 0.000 0.000 0.331 448 Y C -3.159 172.605 175.900 -0.227 0.000 1.173 448 Y CA -2.270 55.733 58.100 -0.161 0.000 1.076 448 Y CB 1.605 40.008 38.460 -0.095 0.000 1.336 448 Y HN -0.122 nan 8.280 nan 0.000 0.459 449 P HA 0.090 nan 4.420 nan 0.000 0.261 449 P C -0.553 176.476 177.300 -0.452 0.000 1.183 449 P CA 1.214 63.897 63.100 -0.694 0.000 0.761 449 P CB 0.288 31.188 31.700 -1.333 0.000 0.785 450 N N -0.280 118.266 118.700 -0.258 0.000 2.800 450 N HA -0.133 4.607 4.740 0.000 0.000 0.250 450 N C -0.813 174.601 175.510 -0.159 0.000 1.078 450 N CA 0.758 53.709 53.050 -0.165 0.000 0.804 450 N CB -1.519 36.890 38.487 -0.131 0.000 1.135 450 N HN 0.174 nan 8.380 nan 0.000 0.565 451 V N 1.181 121.005 119.914 -0.150 0.000 2.409 451 V HA 0.309 4.429 4.120 0.000 0.000 0.291 451 V C 0.291 176.285 176.094 -0.167 0.000 1.020 451 V CA -0.807 61.396 62.300 -0.163 0.000 0.848 451 V CB 1.985 33.682 31.823 -0.210 0.000 0.990 451 V HN 0.197 nan 8.190 nan 0.000 0.430 452 N N 3.249 121.859 118.700 -0.149 0.000 2.476 452 N HA 0.628 5.368 4.740 0.000 0.000 0.257 452 N C -0.335 175.071 175.510 -0.173 0.000 0.970 452 N CA -0.428 52.556 53.050 -0.110 0.000 0.938 452 N CB 1.190 39.654 38.487 -0.039 0.000 1.144 452 N HN 0.830 nan 8.380 nan 0.000 0.500 453 A N 3.656 126.420 122.820 -0.093 0.000 2.280 453 A HA 0.246 4.566 4.320 0.000 0.000 0.320 453 A C -0.577 177.083 177.584 0.126 0.000 1.366 453 A CA -0.445 51.573 52.037 -0.032 0.000 0.938 453 A CB -0.146 18.836 19.000 -0.029 0.000 1.157 453 A HN 0.840 nan 8.150 nan 0.000 0.536 454 H N 2.148 121.334 119.070 0.194 0.000 2.790 454 H HA 0.051 4.607 4.556 0.000 0.000 0.358 454 H C 0.231 175.744 175.328 0.309 0.000 1.103 454 H CA -0.381 55.829 56.048 0.270 0.000 1.426 454 H CB 0.693 30.643 29.762 0.313 0.000 1.424 454 H HN 0.658 nan 8.280 nan 0.000 0.599 455 N N 2.808 121.710 118.700 0.337 0.000 2.453 455 N HA 0.032 4.772 4.740 0.000 0.000 0.253 455 N C -0.120 175.333 175.510 -0.096 0.000 1.252 455 N CA 0.330 53.407 53.050 0.044 0.000 0.917 455 N CB 0.548 39.077 38.487 0.069 0.000 1.117 455 N HN 0.707 nan 8.380 nan 0.000 0.442 456 H N -2.089 116.668 119.070 -0.522 0.000 2.987 456 H HA 0.312 4.868 4.556 0.000 0.000 0.316 456 H C -1.437 173.566 175.328 -0.543 0.000 1.380 456 H CA -0.762 54.849 56.048 -0.728 0.000 1.160 456 H CB 0.838 29.638 29.762 -1.604 0.000 1.865 456 H HN 0.416 nan 8.280 nan 0.000 0.521 457 Q N 0.466 120.009 119.800 -0.428 0.000 2.351 457 Q HA 0.391 4.731 4.340 0.000 0.000 0.273 457 Q C -0.836 174.979 176.000 -0.308 0.000 1.077 457 Q CA -1.004 54.614 55.803 -0.309 0.000 0.843 457 Q CB 2.548 31.169 28.738 -0.195 0.000 1.367 457 Q HN 0.510 nan 8.270 nan 0.000 0.449 458 H N 1.651 120.684 119.070 -0.063 0.000 2.762 458 H HA 0.411 4.967 4.556 0.000 0.000 0.310 458 H C -0.998 174.205 175.328 -0.208 0.000 1.004 458 H CA -0.211 55.789 56.048 -0.080 0.000 1.267 458 H CB 0.716 30.551 29.762 0.122 0.000 1.437 458 H HN 0.365 nan 8.280 nan 0.000 0.498 459 L N 3.975 125.031 121.223 -0.278 0.000 2.346 459 L HA 0.474 4.814 4.340 0.000 0.000 0.276 459 L C -0.806 175.838 176.870 -0.377 0.000 1.006 459 L CA -0.786 53.939 54.840 -0.191 0.000 0.817 459 L CB 1.403 43.434 42.059 -0.047 0.000 1.272 459 L HN 0.297 nan 8.230 nan 0.000 0.421 460 F N 0.010 119.835 119.950 -0.208 0.000 2.561 460 F HA 0.449 4.976 4.527 0.000 0.000 0.321 460 F C 0.330 176.025 175.800 -0.175 0.000 1.065 460 F CA -0.831 56.996 58.000 -0.289 0.000 0.934 460 F CB 2.143 40.727 39.000 -0.693 0.000 1.215 460 F HN 0.227 nan 8.300 nan 0.000 0.471 461 S N 3.217 118.839 115.700 -0.130 0.000 2.577 461 S HA 0.409 4.879 4.470 0.000 0.000 0.294 461 S C -0.870 173.798 174.600 0.114 0.000 1.161 461 S CA -0.581 57.514 58.200 -0.174 0.000 1.143 461 S CB -0.007 62.638 63.200 -0.925 0.000 0.991 461 S HN 0.632 nan 8.310 nan 0.000 0.475 462 L N 5.826 127.233 121.223 0.306 0.000 2.361 462 L HA 0.422 4.762 4.340 0.000 0.000 0.278 462 L C 0.310 177.201 176.870 0.035 0.000 1.113 462 L CA -0.171 54.815 54.840 0.243 0.000 0.849 462 L CB 0.474 42.700 42.059 0.279 0.000 1.155 462 L HN 0.660 nan 8.230 nan 0.000 0.452 463 R N 6.379 126.792 120.500 -0.145 0.000 2.229 463 R HA 0.528 4.868 4.340 0.000 0.000 0.332 463 R C -1.166 174.883 176.300 -0.417 0.000 0.989 463 R CA -0.519 55.247 56.100 -0.556 0.000 0.842 463 R CB 0.789 30.735 30.300 -0.591 0.000 1.119 463 R HN 0.640 nan 8.270 nan 0.000 0.456 464 I N 3.617 123.943 120.570 -0.406 0.000 2.389 464 I HA 0.177 4.347 4.170 0.000 0.000 0.288 464 I C -0.625 175.355 176.117 -0.229 0.000 0.999 464 I CA -0.749 60.332 61.300 -0.366 0.000 1.129 464 I CB 1.896 39.638 38.000 -0.431 0.000 1.288 464 I HN 0.520 nan 8.210 nan 0.000 0.444 465 D N 9.570 129.868 120.400 -0.170 0.000 2.473 465 D HA 0.315 4.955 4.640 0.000 0.000 0.226 465 D C -2.513 173.829 176.300 0.071 0.000 1.089 465 D CA -2.027 51.968 54.000 -0.009 0.000 0.883 465 D CB 1.430 42.263 40.800 0.055 0.000 1.029 465 D HN 0.156 nan 8.370 nan 0.000 0.517 466 P HA 0.324 nan 4.420 nan 0.000 0.279 466 P C -0.438 176.946 177.300 0.139 0.000 1.252 466 P CA -0.565 62.682 63.100 0.245 0.000 0.811 466 P CB 1.340 33.168 31.700 0.213 0.000 1.035 467 R N 1.778 122.349 120.500 0.119 0.000 2.533 467 R HA 0.247 4.588 4.340 0.000 0.000 0.268 467 R C -0.225 176.097 176.300 0.036 0.000 1.303 467 R CA -0.335 55.799 56.100 0.056 0.000 1.429 467 R CB -0.161 30.179 30.300 0.068 0.000 1.361 467 R HN 0.300 nan 8.270 nan 0.000 0.745 468 I N 2.609 123.208 120.570 0.049 0.000 2.818 468 I HA -0.044 4.126 4.170 0.000 0.000 0.285 468 I C 0.522 176.738 176.117 0.165 0.000 1.160 468 I CA 0.988 62.352 61.300 0.107 0.000 1.370 468 I CB -0.355 37.748 38.000 0.172 0.000 1.440 468 I HN 0.616 nan 8.210 nan 0.000 0.555 469 D N 4.952 125.492 120.400 0.234 0.000 2.811 469 D HA -0.150 4.490 4.640 0.000 0.000 0.231 469 D C 0.560 176.881 176.300 0.034 0.000 1.157 469 D CA 1.652 55.711 54.000 0.099 0.000 0.716 469 D CB -0.683 40.078 40.800 -0.066 0.000 1.077 469 D HN 1.187 nan 8.370 nan 0.000 0.428 470 G N -1.056 107.772 108.800 0.046 0.000 2.373 470 G HA2 0.018 3.978 3.960 0.000 0.000 0.634 470 G HA3 0.018 3.978 3.960 0.000 0.000 0.634 470 G C -1.164 173.741 174.900 0.008 0.000 1.267 470 G CA -0.255 44.856 45.100 0.018 0.000 1.008 470 G HN 0.188 nan 8.290 nan 0.000 0.497 471 D N 0.544 120.938 120.400 -0.010 0.000 2.283 471 D HA 0.541 5.181 4.640 0.000 0.000 0.248 471 D C 0.811 177.098 176.300 -0.023 0.000 1.072 471 D CA 1.331 55.316 54.000 -0.025 0.000 0.929 471 D CB 1.258 42.035 40.800 -0.038 0.000 1.182 471 D HN 2.045 nan 8.370 nan 0.000 0.433 472 G N 1.351 110.134 108.800 -0.030 0.000 2.830 472 G HA2 -0.158 3.802 3.960 0.000 0.000 0.298 472 G HA3 -0.158 3.802 3.960 0.000 0.000 0.298 472 G C -0.734 174.134 174.900 -0.054 0.000 1.031 472 G CA -0.776 44.305 45.100 -0.033 0.000 1.179 472 G HN 0.414 nan 8.290 nan 0.000 0.527 473 N N -0.362 118.296 118.700 -0.070 0.000 2.453 473 N HA 0.882 5.622 4.740 0.000 0.000 0.290 473 N C -0.217 175.161 175.510 -0.219 0.000 1.250 473 N CA -0.364 52.605 53.050 -0.134 0.000 0.815 473 N CB 2.214 40.670 38.487 -0.051 0.000 1.381 473 N HN 0.457 nan 8.380 nan 0.000 0.510 474 S N -0.675 114.742 115.700 -0.472 0.000 2.651 474 S HA 0.929 5.399 4.470 0.000 0.000 0.279 474 S C -1.240 173.132 174.600 -0.380 0.000 1.148 474 S CA -0.690 57.201 58.200 -0.516 0.000 0.837 474 S CB 2.053 64.712 63.200 -0.901 0.000 1.138 474 S HN 0.712 nan 8.310 nan 0.000 0.478 475 A N 0.330 123.155 122.820 0.008 0.000 2.469 475 A HA 1.011 5.331 4.320 0.000 0.000 0.299 475 A C -0.943 176.651 177.584 0.016 0.000 1.098 475 A CA -0.529 51.677 52.037 0.281 0.000 0.737 475 A CB 1.548 20.902 19.000 0.591 0.000 1.312 475 A HN 1.423 nan 8.150 nan 0.000 0.414 476 A N -0.288 122.484 122.820 -0.081 0.000 2.610 476 A HA 0.886 5.206 4.320 0.000 0.000 0.291 476 A C -0.450 176.967 177.584 -0.278 0.000 1.086 476 A CA 0.023 51.721 52.037 -0.564 0.000 0.677 476 A CB 0.910 19.844 19.000 -0.111 0.000 1.278 476 A HN 2.474 nan 8.150 nan 0.000 0.414 477 A N -0.221 122.421 122.820 -0.297 0.000 2.312 477 A HA 0.625 4.945 4.320 0.000 0.000 0.326 477 A C -0.417 177.079 177.584 -0.147 0.000 1.172 477 A CA -0.351 51.621 52.037 -0.109 0.000 0.821 477 A CB 0.322 19.393 19.000 0.118 0.000 1.166 477 A HN 1.279 nan 8.150 nan 0.000 0.493 478 C N 2.204 121.378 119.300 -0.210 0.000 2.319 478 C HA 0.630 5.090 4.460 0.000 0.000 0.323 478 C C -0.843 174.041 174.990 -0.177 0.000 1.277 478 C CA -0.830 58.101 59.018 -0.146 0.000 1.517 478 C CB 0.344 28.026 27.740 -0.098 0.000 2.206 478 C HN 0.791 nan 8.230 nan 0.000 0.486 479 D N 2.169 122.479 120.400 -0.151 0.000 2.502 479 D HA 0.484 5.124 4.640 0.000 0.000 0.249 479 D C -0.325 175.857 176.300 -0.196 0.000 1.092 479 D CA 0.090 53.988 54.000 -0.170 0.000 0.839 479 D CB 2.193 42.904 40.800 -0.148 0.000 1.264 479 D HN 0.674 nan 8.370 nan 0.000 0.511 480 A N 2.983 125.694 122.820 -0.180 0.000 2.409 480 A HA 0.431 4.751 4.320 0.000 0.000 0.262 480 A C 0.082 177.520 177.584 -0.242 0.000 1.113 480 A CA 0.035 51.957 52.037 -0.193 0.000 0.790 480 A CB 0.358 19.257 19.000 -0.169 0.000 1.046 480 A HN 0.457 nan 8.150 nan 0.000 0.496 481 K N 1.828 122.029 120.400 -0.331 0.000 2.502 481 K HA 0.462 4.782 4.320 0.000 0.000 0.257 481 K C -0.739 175.815 176.600 -0.076 0.000 0.938 481 K CA -0.660 55.472 56.287 -0.259 0.000 0.819 481 K CB 2.215 34.515 32.500 -0.335 0.000 1.333 481 K HN 0.601 nan 8.250 nan 0.000 0.434 482 S N 0.824 116.561 115.700 0.062 0.000 2.593 482 S HA 0.059 4.529 4.470 0.000 0.000 0.269 482 S C 0.260 175.055 174.600 0.324 0.000 1.334 482 S CA -0.481 57.842 58.200 0.204 0.000 1.015 482 S CB 1.195 64.472 63.200 0.130 0.000 0.912 482 S HN 0.598 nan 8.310 nan 0.000 0.541 483 S N 2.448 118.363 115.700 0.358 0.000 2.568 483 S HA 0.098 4.568 4.470 0.000 0.000 0.282 483 S C -1.161 173.575 174.600 0.226 0.000 1.338 483 S CA -1.114 57.288 58.200 0.336 0.000 1.045 483 S CB 0.302 63.664 63.200 0.271 0.000 0.873 483 S HN 0.562 nan 8.310 nan 0.000 0.516 484 P HA -0.011 nan 4.420 nan 0.000 0.229 484 P C -0.258 176.968 177.300 -0.123 0.000 1.160 484 P CA 0.611 63.693 63.100 -0.030 0.000 0.777 484 P CB -0.092 31.523 31.700 -0.141 0.000 0.814 485 Y N 2.815 123.138 120.300 0.038 0.000 2.425 485 Y HA 0.170 4.720 4.550 0.000 0.000 0.331 485 Y C -1.261 174.657 175.900 0.030 0.000 1.157 485 Y CA -2.258 55.855 58.100 0.023 0.000 1.372 485 Y CB -0.444 38.022 38.460 0.010 0.000 1.253 485 Y HN 0.046 nan 8.280 nan 0.000 0.536 486 P HA 0.020 nan 4.420 nan 0.000 0.274 486 P C -0.355 176.995 177.300 0.084 0.000 1.246 486 P CA -0.481 62.673 63.100 0.090 0.000 0.795 486 P CB 1.208 32.941 31.700 0.056 0.000 1.006 487 L N 0.791 122.048 121.223 0.056 0.000 2.514 487 L HA 0.119 4.459 4.340 0.000 0.000 0.280 487 L C 1.479 178.347 176.870 -0.002 0.000 1.223 487 L CA 1.728 56.587 54.840 0.031 0.000 0.864 487 L CB -0.619 41.457 42.059 0.027 0.000 1.118 487 L HN 0.897 nan 8.230 nan 0.000 0.494 488 G N 2.395 111.164 108.800 -0.052 0.000 2.176 488 G HA2 -0.293 3.667 3.960 0.000 0.000 0.253 488 G HA3 -0.293 3.667 3.960 0.000 0.000 0.253 488 G C 0.263 175.129 174.900 -0.055 0.000 0.979 488 G CA 0.402 45.453 45.100 -0.082 0.000 0.641 488 G HN 0.963 nan 8.290 nan 0.000 0.530 489 S N 0.039 115.730 115.700 -0.014 0.000 2.632 489 S HA 0.656 5.126 4.470 0.000 0.000 0.271 489 S C -0.928 173.646 174.600 -0.042 0.000 1.260 489 S CA -0.656 57.546 58.200 0.003 0.000 1.010 489 S CB 2.307 65.558 63.200 0.086 0.000 0.965 489 S HN -0.032 nan 8.310 nan 0.000 0.534 490 P HA -0.050 nan 4.420 nan 0.000 0.218 490 P C 0.708 177.938 177.300 -0.117 0.000 1.148 490 P CA 1.121 64.173 63.100 -0.080 0.000 0.822 490 P CB 0.000 31.655 31.700 -0.076 0.000 0.784 491 E N -1.771 118.309 120.200 -0.199 0.000 2.358 491 E HA -0.029 4.321 4.350 0.000 0.000 0.195 491 E C 0.692 177.209 176.600 -0.138 0.000 1.010 491 E CA 0.648 56.862 56.400 -0.308 0.000 0.856 491 E CB -0.354 28.823 29.700 -0.870 0.000 0.795 491 E HN 0.101 nan 8.360 nan 0.000 0.504 492 N N -0.394 118.285 118.700 -0.036 0.000 2.639 492 N HA 0.083 4.823 4.740 0.000 0.000 0.265 492 N C 0.189 175.717 175.510 0.030 0.000 1.689 492 N CA -0.029 53.048 53.050 0.045 0.000 0.813 492 N CB 0.005 38.562 38.487 0.118 0.000 1.353 492 N HN -0.088 nan 8.380 nan 0.000 0.510 493 M N 0.425 120.016 119.600 -0.015 0.000 2.088 493 M HA -0.121 4.359 4.480 0.000 0.000 0.256 493 M C 0.226 176.350 176.300 -0.292 0.000 1.071 493 M CA 2.093 57.285 55.300 -0.180 0.000 1.097 493 M CB -0.397 32.045 32.600 -0.263 0.000 1.315 493 M HN 0.395 nan 8.290 nan 0.000 0.406 494 Y N -0.582 119.731 120.300 0.022 0.000 2.493 494 Y HA 0.449 4.999 4.550 0.000 0.000 0.275 494 Y C 1.467 177.393 175.900 0.043 0.000 1.183 494 Y CA 0.029 58.147 58.100 0.029 0.000 1.258 494 Y CB -0.547 37.927 38.460 0.024 0.000 1.108 494 Y HN 0.461 nan 8.280 nan 0.000 0.521 495 G N 1.584 110.473 108.800 0.149 0.000 2.258 495 G HA2 -0.398 3.562 3.960 0.000 0.000 0.274 495 G HA3 -0.398 3.562 3.960 0.000 0.000 0.274 495 G C 0.952 175.946 174.900 0.156 0.000 1.021 495 G CA 0.837 46.017 45.100 0.133 0.000 0.798 495 G HN 0.596 nan 8.290 nan 0.000 0.507 496 N N -0.224 118.581 118.700 0.175 0.000 2.299 496 N HA 0.367 5.107 4.740 0.000 0.000 0.187 496 N C 1.046 176.685 175.510 0.215 0.000 1.099 496 N CA 0.661 53.823 53.050 0.186 0.000 0.867 496 N CB 0.030 38.606 38.487 0.149 0.000 0.974 496 N HN 0.943 nan 8.380 nan 0.000 0.477 497 A N 1.037 123.958 122.820 0.169 0.000 2.520 497 A HA 0.423 4.743 4.320 0.000 0.000 0.245 497 A C -0.450 177.300 177.584 0.277 0.000 1.072 497 A CA -0.202 51.917 52.037 0.135 0.000 0.761 497 A CB -0.599 18.466 19.000 0.108 0.000 1.004 497 A HN 0.477 nan 8.150 nan 0.000 0.499 498 F N 1.029 121.072 119.950 0.154 0.000 2.654 498 F HA 0.763 5.290 4.527 0.000 0.000 0.308 498 F C -1.037 174.905 175.800 0.237 0.000 1.108 498 F CA -1.515 56.595 58.000 0.182 0.000 0.957 498 F CB 0.857 39.896 39.000 0.066 0.000 1.309 498 F HN 0.756 nan 8.300 nan 0.000 0.446 499 Y N -0.449 120.020 120.300 0.282 0.000 2.829 499 Y HA 0.797 5.347 4.550 0.000 0.000 0.322 499 Y C -1.415 174.595 175.900 0.183 0.000 1.357 499 Y CA -1.853 56.333 58.100 0.145 0.000 1.081 499 Y CB 0.914 39.406 38.460 0.053 0.000 1.339 499 Y HN 0.802 nan 8.280 nan 0.000 0.469 500 S N 0.595 116.315 115.700 0.034 0.000 2.438 500 S HA 0.307 4.777 4.470 0.000 0.000 0.316 500 S C -1.045 173.537 174.600 -0.029 0.000 1.084 500 S CA -0.567 57.586 58.200 -0.078 0.000 1.107 500 S CB 0.245 63.459 63.200 0.023 0.000 0.981 500 S HN 0.694 nan 8.310 nan 0.000 0.466 501 E N 3.911 124.010 120.200 -0.168 0.000 2.130 501 E HA 0.225 4.575 4.350 0.000 0.000 0.284 501 E C -0.545 176.050 176.600 -0.008 0.000 1.018 501 E CA -0.417 55.995 56.400 0.020 0.000 0.817 501 E CB 0.538 30.236 29.700 -0.003 0.000 1.078 501 E HN 0.522 nan 8.360 nan 0.000 0.396 502 K N 3.490 123.898 120.400 0.013 0.000 2.240 502 K HA 0.229 4.549 4.320 0.000 0.000 0.271 502 K C -1.207 175.383 176.600 -0.017 0.000 1.018 502 K CA -0.377 55.885 56.287 -0.042 0.000 0.874 502 K CB 1.175 33.619 32.500 -0.094 0.000 1.098 502 K HN 0.352 nan 8.250 nan 0.000 0.458 503 T N 3.498 118.037 114.554 -0.025 0.000 2.874 503 T HA 0.144 4.494 4.350 0.000 0.000 0.321 503 T C -0.547 174.122 174.700 -0.052 0.000 1.075 503 T CA -0.439 61.678 62.100 0.030 0.000 0.966 503 T CB 1.038 69.978 68.868 0.118 0.000 1.001 503 T HN 0.492 nan 8.240 nan 0.000 0.476 504 T N 4.479 119.044 114.554 0.018 0.000 2.851 504 T HA 0.301 4.651 4.350 0.000 0.000 0.298 504 T C 0.094 174.887 174.700 0.155 0.000 0.977 504 T CA -0.248 61.880 62.100 0.046 0.000 1.126 504 T CB -0.096 68.894 68.868 0.203 0.000 0.916 504 T HN 0.255 nan 8.240 nan 0.000 0.529 505 F N 3.010 123.090 119.950 0.217 0.000 2.472 505 F HA 0.312 4.839 4.527 0.000 0.000 0.364 505 F C 1.444 177.317 175.800 0.122 0.000 1.090 505 F CA -1.095 57.000 58.000 0.157 0.000 1.188 505 F CB 0.436 39.531 39.000 0.158 0.000 1.105 505 F HN 0.554 nan 8.300 nan 0.000 0.536 506 K N 0.667 121.238 120.400 0.284 0.000 2.141 506 K HA 0.058 4.378 4.320 0.000 0.000 0.202 506 K C 0.768 177.451 176.600 0.140 0.000 1.045 506 K CA 1.040 57.432 56.287 0.176 0.000 0.971 506 K CB 0.125 32.707 32.500 0.136 0.000 0.795 506 K HN 0.719 nan 8.250 nan 0.000 0.459 507 T N -2.594 112.032 114.554 0.121 0.000 2.942 507 T HA 0.241 4.591 4.350 0.000 0.000 0.289 507 T C 1.326 176.053 174.700 0.045 0.000 1.044 507 T CA -0.935 61.210 62.100 0.075 0.000 1.023 507 T CB 1.746 70.644 68.868 0.051 0.000 1.123 507 T HN -0.208 nan 8.240 nan 0.000 0.512 508 V N 1.314 121.241 119.914 0.022 0.000 2.278 508 V HA -0.216 3.904 4.120 0.000 0.000 0.251 508 V C 2.864 178.901 176.094 -0.095 0.000 1.062 508 V CA 2.471 64.758 62.300 -0.022 0.000 1.038 508 V CB -0.942 30.879 31.823 -0.004 0.000 0.646 508 V HN 1.045 nan 8.190 nan 0.000 0.447 509 K N -0.138 120.222 120.400 -0.067 0.000 2.113 509 K HA -0.261 4.059 4.320 0.000 0.000 0.208 509 K C 1.793 178.310 176.600 -0.138 0.000 1.047 509 K CA 2.015 58.246 56.287 -0.095 0.000 0.928 509 K CB -0.277 32.198 32.500 -0.042 0.000 0.716 509 K HN 0.534 nan 8.250 nan 0.000 0.446 510 D N -0.061 120.278 120.400 -0.101 0.000 2.218 510 D HA -0.125 4.515 4.640 0.000 0.000 0.204 510 D C 1.919 177.906 176.300 -0.522 0.000 0.976 510 D CA 1.511 55.448 54.000 -0.105 0.000 0.853 510 D CB -0.061 40.810 40.800 0.118 0.000 0.939 510 D HN 0.373 nan 8.370 nan 0.000 0.481 511 S N 0.224 115.450 115.700 -0.789 0.000 2.461 511 S HA -0.033 4.437 4.470 0.000 0.000 0.228 511 S C 1.307 175.448 174.600 -0.765 0.000 1.005 511 S CA -0.109 57.210 58.200 -1.469 0.000 0.942 511 S CB -0.504 62.212 63.200 -0.806 0.000 0.776 511 S HN 0.169 nan 8.310 nan 0.000 0.514 512 L N 3.843 124.765 121.223 -0.502 0.000 2.574 512 L HA 0.225 4.565 4.340 0.000 0.000 0.281 512 L C 0.317 177.068 176.870 -0.197 0.000 1.212 512 L CA -0.152 54.372 54.840 -0.526 0.000 1.082 512 L CB -1.137 40.427 42.059 -0.824 0.000 1.362 512 L HN 0.415 nan 8.230 nan 0.000 0.451 513 T N -1.162 113.421 114.554 0.048 0.000 2.906 513 T HA 0.546 4.896 4.350 0.000 0.000 0.295 513 T C -0.330 174.659 174.700 0.481 0.000 1.075 513 T CA -1.103 61.191 62.100 0.324 0.000 1.005 513 T CB 2.476 71.634 68.868 0.484 0.000 1.136 513 T HN 0.202 nan 8.240 nan 0.000 0.498 514 N N -0.040 118.946 118.700 0.476 0.000 2.362 514 N HA 0.357 5.097 4.740 0.000 0.000 0.299 514 N C -1.313 174.558 175.510 0.602 0.000 1.170 514 N CA -0.653 52.690 53.050 0.489 0.000 0.825 514 N CB 1.291 39.948 38.487 0.283 0.000 1.299 514 N HN 0.767 nan 8.380 nan 0.000 0.502 515 Y N 0.962 121.609 120.300 0.577 0.000 2.497 515 Y HA 0.059 4.609 4.550 0.000 0.000 0.334 515 Y C -0.276 175.749 175.900 0.208 0.000 1.199 515 Y CA 0.468 58.845 58.100 0.462 0.000 1.425 515 Y CB 0.531 39.281 38.460 0.482 0.000 1.291 515 Y HN 0.292 nan 8.280 nan 0.000 0.562 516 E N 3.523 123.186 120.200 -0.896 0.000 2.244 516 E HA 0.138 4.488 4.350 0.000 0.000 0.260 516 E C 0.395 176.482 176.600 -0.855 0.000 0.884 516 E CA -0.005 56.018 56.400 -0.628 0.000 0.777 516 E CB 1.645 31.161 29.700 -0.306 0.000 1.197 516 E HN 0.789 nan 8.360 nan 0.000 0.416 517 S N 1.682 117.053 115.700 -0.548 0.000 2.402 517 S HA -0.140 4.330 4.470 0.000 0.000 0.229 517 S C 1.860 176.361 174.600 -0.165 0.000 1.021 517 S CA 0.896 58.946 58.200 -0.250 0.000 0.974 517 S CB -0.071 63.125 63.200 -0.007 0.000 0.800 517 S HN 0.467 nan 8.310 nan 0.000 0.484 518 A N 1.853 124.579 122.820 -0.157 0.000 2.076 518 A HA -0.020 4.300 4.320 0.000 0.000 0.220 518 A C 2.265 179.770 177.584 -0.132 0.000 1.160 518 A CA 1.842 53.811 52.037 -0.113 0.000 0.653 518 A CB -0.986 17.961 19.000 -0.089 0.000 0.801 518 A HN 0.812 nan 8.150 nan 0.000 0.455 519 T N -5.587 108.860 114.554 -0.178 0.000 3.091 519 T HA 0.435 4.785 4.350 0.000 0.000 0.277 519 T C 1.072 175.671 174.700 -0.169 0.000 0.996 519 T CA 0.895 62.892 62.100 -0.172 0.000 0.897 519 T CB -0.033 68.730 68.868 -0.175 0.000 1.109 519 T HN 1.640 nan 8.240 nan 0.000 0.534 520 G N 2.809 111.515 108.800 -0.156 0.000 2.356 520 G HA2 -0.347 3.613 3.960 0.000 0.000 0.296 520 G HA3 -0.347 3.613 3.960 0.000 0.000 0.296 520 G C 0.037 174.919 174.900 -0.031 0.000 1.022 520 G CA 0.333 45.414 45.100 -0.032 0.000 0.961 520 G HN 0.933 nan 8.290 nan 0.000 0.510 521 R N 0.023 120.411 120.500 -0.187 0.000 2.583 521 R HA 0.366 4.706 4.340 0.000 0.000 0.274 521 R C 0.820 176.990 176.300 -0.217 0.000 0.998 521 R CA 0.897 56.826 56.100 -0.284 0.000 1.081 521 R CB 0.241 30.239 30.300 -0.503 0.000 0.940 521 R HN 0.676 nan 8.270 nan 0.000 0.413 522 S N 3.602 119.089 115.700 -0.355 0.000 2.697 522 S HA 0.609 5.079 4.470 0.000 0.000 0.289 522 S C -1.230 173.199 174.600 -0.286 0.000 1.149 522 S CA -1.036 57.060 58.200 -0.173 0.000 0.850 522 S CB 1.439 64.645 63.200 0.010 0.000 1.151 522 S HN 0.631 nan 8.310 nan 0.000 0.491 523 W N 0.509 121.907 121.300 0.163 0.000 2.819 523 W HA 0.449 5.109 4.660 0.000 0.000 0.337 523 W C -1.366 175.237 176.519 0.140 0.000 1.077 523 W CA -0.429 57.042 57.345 0.211 0.000 1.226 523 W CB 2.156 31.869 29.460 0.420 0.000 1.419 523 W HN 0.632 nan 8.180 nan 0.000 0.502 524 D N 1.978 122.595 120.400 0.361 0.000 2.248 524 D HA 0.538 5.178 4.640 0.000 0.000 0.246 524 D C -0.489 176.055 176.300 0.407 0.000 1.027 524 D CA -0.376 53.804 54.000 0.300 0.000 0.853 524 D CB 2.250 43.167 40.800 0.194 0.000 1.243 524 D HN 0.094 nan 8.370 nan 0.000 0.462 525 I N 3.073 123.844 120.570 0.335 0.000 2.411 525 I HA 0.350 4.520 4.170 0.000 0.000 0.284 525 I C -0.757 175.579 176.117 0.365 0.000 1.012 525 I CA -0.872 60.594 61.300 0.276 0.000 1.119 525 I CB 0.417 38.485 38.000 0.113 0.000 1.261 525 I HN 0.220 nan 8.210 nan 0.000 0.448 526 F N 3.503 123.531 119.950 0.130 0.000 2.664 526 F HA 0.537 5.064 4.527 0.000 0.000 0.329 526 F C -0.720 175.139 175.800 0.098 0.000 1.090 526 F CA -1.517 56.554 58.000 0.118 0.000 0.978 526 F CB 1.311 40.363 39.000 0.087 0.000 1.378 526 F HN 0.254 nan 8.300 nan 0.000 0.495 527 N N 2.170 120.999 118.700 0.216 0.000 2.621 527 N HA 0.361 5.101 4.740 0.000 0.000 0.237 527 N C -2.050 173.560 175.510 0.166 0.000 0.997 527 N CA -2.160 50.937 53.050 0.078 0.000 0.918 527 N CB 1.265 39.800 38.487 0.080 0.000 1.122 527 N HN 0.394 nan 8.380 nan 0.000 0.510 528 P HA -0.077 nan 4.420 nan 0.000 0.234 528 P C -0.116 177.246 177.300 0.103 0.000 1.167 528 P CA 0.825 64.049 63.100 0.206 0.000 0.763 528 P CB 0.309 32.101 31.700 0.152 0.000 0.835 529 N N -0.118 118.615 118.700 0.055 0.000 2.412 529 N HA 0.050 4.790 4.740 0.000 0.000 0.184 529 N C 0.611 176.132 175.510 0.019 0.000 1.101 529 N CA 0.562 53.629 53.050 0.028 0.000 0.881 529 N CB 0.463 38.956 38.487 0.009 0.000 0.969 529 N HN 0.368 nan 8.380 nan 0.000 0.459 530 K N 0.303 120.719 120.400 0.027 0.000 2.400 530 K HA 0.646 4.966 4.320 0.000 0.000 0.246 530 K C -0.933 175.668 176.600 0.001 0.000 0.995 530 K CA -0.736 55.550 56.287 -0.003 0.000 0.840 530 K CB 2.986 35.465 32.500 -0.034 0.000 1.293 530 K HN -0.320 nan 8.250 nan 0.000 0.445 531 V N 0.889 120.786 119.914 -0.027 0.000 2.841 531 V HA 0.227 4.347 4.120 0.000 0.000 0.310 531 V C -0.698 175.364 176.094 -0.052 0.000 1.090 531 V CA -1.171 61.111 62.300 -0.030 0.000 0.930 531 V CB 1.919 33.729 31.823 -0.022 0.000 1.014 531 V HN 0.760 nan 8.190 nan 0.000 0.425 532 N N 5.494 124.170 118.700 -0.039 0.000 2.442 532 N HA 0.182 4.922 4.740 0.000 0.000 0.265 532 N C -1.385 174.104 175.510 -0.035 0.000 1.138 532 N CA -1.412 51.612 53.050 -0.043 0.000 0.956 532 N CB 2.093 40.606 38.487 0.044 0.000 1.067 532 N HN 0.409 nan 8.380 nan 0.000 0.474 533 P HA -0.149 nan 4.420 nan 0.000 0.221 533 P C 0.491 177.845 177.300 0.090 0.000 1.145 533 P CA 1.327 64.384 63.100 -0.071 0.000 0.795 533 P CB 0.182 31.770 31.700 -0.187 0.000 0.775 534 Y N 0.992 121.300 120.300 0.013 0.000 2.239 534 Y HA -0.009 4.541 4.550 0.000 0.000 0.293 534 Y C 2.973 178.889 175.900 0.026 0.000 1.126 534 Y CA 0.954 59.065 58.100 0.017 0.000 1.128 534 Y CB -1.422 37.051 38.460 0.022 0.000 1.066 534 Y HN 0.055 nan 8.280 nan 0.000 0.516 535 S N -0.915 114.929 115.700 0.240 0.000 2.461 535 S HA 0.142 4.612 4.470 0.000 0.000 0.228 535 S C 1.903 176.534 174.600 0.052 0.000 1.005 535 S CA 0.795 59.093 58.200 0.164 0.000 0.942 535 S CB -0.507 62.880 63.200 0.311 0.000 0.776 535 S HN 0.672 nan 8.310 nan 0.000 0.514 536 G N 0.984 109.804 108.800 0.033 0.000 2.148 536 G HA2 -0.209 3.751 3.960 0.000 0.000 0.254 536 G HA3 -0.209 3.751 3.960 0.000 0.000 0.254 536 G C -0.063 174.790 174.900 -0.078 0.000 0.981 536 G CA 0.392 45.483 45.100 -0.016 0.000 0.670 536 G HN 0.526 nan 8.290 nan 0.000 0.528 537 K N 0.734 121.046 120.400 -0.146 0.000 2.118 537 K HA 0.550 4.870 4.320 0.000 0.000 0.254 537 K C -2.333 174.171 176.600 -0.160 0.000 0.961 537 K CA -2.240 53.880 56.287 -0.278 0.000 0.876 537 K CB 1.887 33.944 32.500 -0.738 0.000 1.077 537 K HN 0.123 nan 8.250 nan 0.000 0.440 538 P HA 0.132 nan 4.420 nan 0.000 0.272 538 P C -2.489 174.853 177.300 0.071 0.000 1.223 538 P CA -1.257 61.855 63.100 0.020 0.000 0.784 538 P CB -0.194 31.598 31.700 0.153 0.000 0.923 539 P HA 0.053 nan 4.420 nan 0.000 0.271 539 P C -0.279 177.204 177.300 0.305 0.000 1.216 539 P CA 0.385 63.568 63.100 0.138 0.000 0.776 539 P CB 0.603 32.265 31.700 -0.064 0.000 0.881 540 S N 1.645 117.562 115.700 0.361 0.000 2.611 540 S HA 0.548 5.018 4.470 0.000 0.000 0.268 540 S C -1.866 172.870 174.600 0.226 0.000 1.156 540 S CA -0.691 57.719 58.200 0.351 0.000 0.817 540 S CB 0.959 64.336 63.200 0.294 0.000 1.122 540 S HN 0.279 nan 8.310 nan 0.000 0.466 541 Y N 0.968 121.315 120.300 0.078 0.000 2.350 541 Y HA 0.614 5.164 4.550 0.000 0.000 0.338 541 Y C 0.060 175.999 175.900 0.065 0.000 0.961 541 Y CA -0.519 57.584 58.100 0.006 0.000 1.100 541 Y CB 1.965 40.400 38.460 -0.043 0.000 1.179 541 Y HN 0.859 nan 8.280 nan 0.000 0.454 542 K N 4.377 124.812 120.400 0.058 0.000 2.213 542 K HA 0.463 4.783 4.320 0.000 0.000 0.270 542 K C -1.390 175.261 176.600 0.085 0.000 1.002 542 K CA -0.897 55.443 56.287 0.089 0.000 0.868 542 K CB 0.872 33.403 32.500 0.051 0.000 1.093 542 K HN 0.631 nan 8.250 nan 0.000 0.454 543 L N 5.742 127.033 121.223 0.112 0.000 2.315 543 L HA 0.252 4.592 4.340 0.000 0.000 0.283 543 L C -1.347 175.615 176.870 0.152 0.000 1.089 543 L CA -0.007 54.874 54.840 0.068 0.000 0.833 543 L CB 1.145 43.205 42.059 0.001 0.000 1.170 543 L HN 0.366 nan 8.230 nan 0.000 0.442 544 V N 5.025 124.979 119.914 0.066 0.000 2.313 544 V HA 0.573 4.693 4.120 0.000 0.000 0.278 544 V C -0.088 176.023 176.094 0.028 0.000 1.017 544 V CA -0.239 62.101 62.300 0.068 0.000 0.823 544 V CB 0.947 32.786 31.823 0.027 0.000 1.010 544 V HN 0.850 nan 8.190 nan 0.000 0.443 545 S N 2.847 118.590 115.700 0.073 0.000 2.668 545 S HA 0.469 4.939 4.470 0.000 0.000 0.277 545 S C 0.550 175.077 174.600 -0.121 0.000 1.170 545 S CA 0.210 58.434 58.200 0.040 0.000 0.994 545 S CB 1.835 65.132 63.200 0.162 0.000 1.051 545 S HN 0.906 nan 8.310 nan 0.000 0.484 546 T N 1.436 115.849 114.554 -0.235 0.000 2.985 546 T HA 0.282 4.632 4.350 0.000 0.000 0.254 546 T C 0.379 174.952 174.700 -0.212 0.000 1.021 546 T CA -0.046 61.718 62.100 -0.560 0.000 0.957 546 T CB -0.120 68.520 68.868 -0.381 0.000 1.047 546 T HN 0.589 nan 8.240 nan 0.000 0.511 547 Q N 1.194 120.990 119.800 -0.007 0.000 3.027 547 Q HA 0.352 4.692 4.340 0.000 0.000 0.260 547 Q C -0.919 175.196 176.000 0.193 0.000 1.379 547 Q CA -0.503 55.362 55.803 0.103 0.000 1.038 547 Q CB -0.294 28.524 28.738 0.134 0.000 1.578 547 Q HN 0.466 nan 8.270 nan 0.000 0.571 548 C N 2.743 122.152 119.300 0.182 0.000 2.621 548 C HA 0.374 4.834 4.460 0.000 0.000 0.272 548 C C -2.099 173.026 174.990 0.225 0.000 1.119 548 C CA -1.929 57.237 59.018 0.247 0.000 1.593 548 C CB -0.565 27.401 27.740 0.376 0.000 1.749 548 C HN 0.536 nan 8.230 nan 0.000 0.420 549 P HA 0.291 nan 4.420 nan 0.000 0.275 549 P C -2.222 175.133 177.300 0.091 0.000 1.228 549 P CA -0.719 62.452 63.100 0.118 0.000 0.786 549 P CB 0.167 31.910 31.700 0.072 0.000 0.927 550 P HA 0.156 nan 4.420 nan 0.000 0.276 550 P C -0.811 176.477 177.300 -0.020 0.000 1.244 550 P CA -0.468 62.651 63.100 0.032 0.000 0.801 550 P CB 0.645 32.367 31.700 0.036 0.000 1.006 551 L N 2.654 123.832 121.223 -0.074 0.000 2.369 551 L HA 0.069 4.409 4.340 0.000 0.000 0.279 551 L C 1.177 177.991 176.870 -0.093 0.000 1.108 551 L CA 0.315 55.084 54.840 -0.118 0.000 0.852 551 L CB -0.551 41.397 42.059 -0.185 0.000 1.169 551 L HN 0.318 nan 8.230 nan 0.000 0.452 552 L N 4.784 125.960 121.223 -0.078 0.000 2.240 552 L HA 0.113 4.453 4.340 0.000 0.000 0.211 552 L C 1.403 178.230 176.870 -0.073 0.000 1.106 552 L CA 0.449 55.259 54.840 -0.050 0.000 0.793 552 L CB -0.500 41.546 42.059 -0.021 0.000 0.927 552 L HN 0.827 nan 8.230 nan 0.000 0.446 553 A N 0.753 123.506 122.820 -0.112 0.000 2.498 553 A HA 0.156 4.476 4.320 0.000 0.000 0.239 553 A C 0.267 177.773 177.584 -0.129 0.000 1.068 553 A CA -0.092 51.866 52.037 -0.132 0.000 0.766 553 A CB 0.070 18.966 19.000 -0.173 0.000 1.003 553 A HN 0.156 nan 8.150 nan 0.000 0.497 554 K N 1.197 121.526 120.400 -0.118 0.000 2.180 554 K HA 0.159 4.479 4.320 0.000 0.000 0.251 554 K C 0.073 176.599 176.600 -0.124 0.000 1.014 554 K CA 0.017 56.241 56.287 -0.105 0.000 0.913 554 K CB 0.426 32.874 32.500 -0.087 0.000 1.008 554 K HN 0.778 nan 8.250 nan 0.000 0.490 555 E N 0.032 120.167 120.200 -0.109 0.000 2.414 555 E HA -0.000 4.350 4.350 0.000 0.000 0.263 555 E C 0.775 177.305 176.600 -0.116 0.000 1.000 555 E CA 0.756 57.088 56.400 -0.114 0.000 0.914 555 E CB 0.404 30.051 29.700 -0.089 0.000 0.948 555 E HN 0.814 nan 8.360 nan 0.000 0.444 556 G N 2.564 111.282 108.800 -0.136 0.000 2.199 556 G HA2 -0.341 3.619 3.960 0.000 0.000 0.254 556 G HA3 -0.341 3.619 3.960 0.000 0.000 0.254 556 G C 0.413 175.216 174.900 -0.162 0.000 0.982 556 G CA 0.371 45.388 45.100 -0.139 0.000 0.632 556 G HN 0.684 nan 8.290 nan 0.000 0.529 557 S N -0.192 115.403 115.700 -0.174 0.000 2.600 557 S HA 0.617 5.087 4.470 0.000 0.000 0.265 557 S C 1.608 176.057 174.600 -0.252 0.000 1.325 557 S CA -0.024 58.061 58.200 -0.192 0.000 1.002 557 S CB 1.550 64.635 63.200 -0.191 0.000 0.921 557 S HN 0.483 nan 8.310 nan 0.000 0.554 558 L N 1.265 122.327 121.223 -0.268 0.000 2.012 558 L HA -0.115 4.225 4.340 0.000 0.000 0.210 558 L C 2.551 179.157 176.870 -0.440 0.000 1.073 558 L CA 1.423 56.058 54.840 -0.340 0.000 0.748 558 L CB -0.589 41.293 42.059 -0.295 0.000 0.891 558 L HN 0.705 nan 8.230 nan 0.000 0.431 559 V N -0.106 119.524 119.914 -0.474 0.000 2.255 559 V HA -0.330 3.790 4.120 0.000 0.000 0.247 559 V C 2.693 178.577 176.094 -0.350 0.000 1.051 559 V CA 1.933 63.971 62.300 -0.438 0.000 1.018 559 V CB -0.883 30.734 31.823 -0.345 0.000 0.641 559 V HN 0.561 nan 8.190 nan 0.000 0.445 560 A N -0.625 122.008 122.820 -0.313 0.000 1.969 560 A HA -0.194 4.126 4.320 0.000 0.000 0.218 560 A C 2.272 179.674 177.584 -0.303 0.000 1.169 560 A CA 1.681 53.539 52.037 -0.298 0.000 0.635 560 A CB -0.349 18.508 19.000 -0.239 0.000 0.810 560 A HN 0.566 nan 8.150 nan 0.000 0.445 561 K N -0.631 119.571 120.400 -0.331 0.000 2.116 561 K HA -0.023 4.297 4.320 0.000 0.000 0.203 561 K C 2.016 178.322 176.600 -0.489 0.000 1.052 561 K CA 1.042 57.099 56.287 -0.384 0.000 0.952 561 K CB -0.110 32.126 32.500 -0.440 0.000 0.729 561 K HN 0.387 nan 8.250 nan 0.000 0.446 562 R N 0.276 120.500 120.500 -0.459 0.000 2.240 562 R HA 0.079 4.419 4.340 0.000 0.000 0.203 562 R C 0.618 176.899 176.300 -0.031 0.000 1.011 562 R CA 0.502 56.401 56.100 -0.335 0.000 1.007 562 R CB 0.348 30.543 30.300 -0.175 0.000 0.911 562 R HN -0.006 nan 8.270 nan 0.000 0.468 563 A N 1.553 124.231 122.820 -0.237 0.000 3.248 563 A HA 0.282 4.602 4.320 0.000 0.000 0.315 563 A C -1.973 175.205 177.584 -0.676 0.000 0.974 563 A CA -1.191 50.531 52.037 -0.525 0.000 0.939 563 A CB 0.516 19.043 19.000 -0.789 0.000 1.061 563 A HN -0.070 nan 8.150 nan 0.000 0.481 564 P HA -0.178 nan 4.420 nan 0.000 0.221 564 P C 1.337 178.545 177.300 -0.154 0.000 1.145 564 P CA 1.130 64.114 63.100 -0.192 0.000 0.795 564 P CB -0.203 31.459 31.700 -0.062 0.000 0.775 565 W N 0.033 121.292 121.300 -0.070 0.000 2.467 565 W HA 0.257 4.918 4.660 0.000 0.000 0.275 565 W C 1.562 178.086 176.519 0.008 0.000 1.239 565 W CA 0.569 57.888 57.345 -0.044 0.000 1.266 565 W CB -1.663 27.754 29.460 -0.073 0.000 1.112 565 W HN -0.085 nan 8.180 nan 0.000 0.576 566 A N 1.151 123.545 122.820 -0.710 0.000 2.168 566 A HA -0.028 4.292 4.320 0.000 0.000 0.215 566 A C 2.046 179.470 177.584 -0.268 0.000 1.152 566 A CA 1.384 53.072 52.037 -0.582 0.000 0.716 566 A CB -0.733 17.622 19.000 -1.074 0.000 0.794 566 A HN 0.218 nan 8.150 nan 0.000 0.465 567 S N -0.638 114.921 115.700 -0.234 0.000 2.481 567 S HA 0.015 4.485 4.470 0.000 0.000 0.231 567 S C 0.126 174.467 174.600 -0.431 0.000 0.996 567 S CA 0.622 58.648 58.200 -0.291 0.000 0.942 567 S CB -0.238 62.794 63.200 -0.279 0.000 0.768 567 S HN 0.789 nan 8.310 nan 0.000 0.520 568 H N -1.375 117.699 119.070 0.006 0.000 2.851 568 H HA 0.409 4.965 4.556 0.000 0.000 0.372 568 H C 0.632 176.017 175.328 0.095 0.000 1.158 568 H CA -0.539 55.543 56.048 0.056 0.000 1.159 568 H CB 1.399 31.180 29.762 0.032 0.000 1.757 568 H HN -0.138 nan 8.280 nan 0.000 0.546 569 S N 0.616 116.470 115.700 0.258 0.000 2.402 569 S HA 0.007 4.477 4.470 0.000 0.000 0.229 569 S C 0.473 175.142 174.600 0.115 0.000 1.021 569 S CA 0.678 59.008 58.200 0.216 0.000 0.974 569 S CB 0.277 63.708 63.200 0.384 0.000 0.800 569 S HN 0.257 nan 8.310 nan 0.000 0.484 570 V N 2.565 122.487 119.914 0.014 0.000 2.638 570 V HA 0.429 4.549 4.120 0.000 0.000 0.306 570 V C -1.056 174.918 176.094 -0.200 0.000 1.052 570 V CA -0.947 61.198 62.300 -0.259 0.000 0.885 570 V CB 2.040 33.450 31.823 -0.689 0.000 0.999 570 V HN 0.245 nan 8.190 nan 0.000 0.424 571 N N 3.160 121.733 118.700 -0.212 0.000 2.410 571 N HA 0.570 5.310 4.740 0.000 0.000 0.287 571 N C -1.454 173.986 175.510 -0.117 0.000 1.044 571 N CA -0.299 52.680 53.050 -0.119 0.000 0.881 571 N CB 2.745 41.262 38.487 0.049 0.000 1.405 571 N HN 0.346 nan 8.380 nan 0.000 0.490 572 V N 2.176 122.016 119.914 -0.124 0.000 2.444 572 V HA 0.503 4.623 4.120 0.000 0.000 0.294 572 V C 0.224 176.364 176.094 0.076 0.000 1.022 572 V CA -0.765 61.536 62.300 0.002 0.000 0.850 572 V CB 1.612 33.463 31.823 0.046 0.000 0.992 572 V HN 0.477 nan 8.190 nan 0.000 0.426 573 V N 3.361 123.363 119.914 0.146 0.000 3.074 573 V HA 0.797 4.917 4.120 0.000 0.000 0.314 573 V C -2.922 173.227 176.094 0.091 0.000 1.117 573 V CA -3.078 59.291 62.300 0.115 0.000 1.014 573 V CB 2.194 34.107 31.823 0.149 0.000 1.057 573 V HN 0.609 nan 8.190 nan 0.000 0.438 574 P HA 0.193 nan 4.420 nan 0.000 0.269 574 P C -1.235 176.063 177.300 -0.004 0.000 1.209 574 P CA 0.185 63.313 63.100 0.046 0.000 0.776 574 P CB 0.068 31.785 31.700 0.028 0.000 0.876 575 Y N 3.060 123.329 120.300 -0.053 0.000 2.397 575 Y HA 0.352 4.902 4.550 0.000 0.000 0.335 575 Y C 0.062 175.890 175.900 -0.120 0.000 1.213 575 Y CA 0.626 58.668 58.100 -0.097 0.000 1.391 575 Y CB 0.592 39.009 38.460 -0.072 0.000 1.293 575 Y HN 0.224 nan 8.280 nan 0.000 0.557 576 K N 3.702 123.392 120.400 -1.183 0.000 2.546 576 K HA 0.250 4.570 4.320 0.000 0.000 0.264 576 K C -1.726 174.212 176.600 -1.103 0.000 0.937 576 K CA -0.706 55.116 56.287 -0.774 0.000 0.833 576 K CB 1.284 33.500 32.500 -0.474 0.000 1.378 576 K HN 0.615 nan 8.250 nan 0.000 0.432 577 D N 2.276 122.369 120.400 -0.512 0.000 2.399 577 D HA 0.073 4.714 4.640 0.000 0.000 0.241 577 D C -0.017 176.091 176.300 -0.321 0.000 1.133 577 D CA 0.701 54.525 54.000 -0.293 0.000 0.890 577 D CB 0.458 41.231 40.800 -0.045 0.000 1.201 577 D HN 0.563 nan 8.370 nan 0.000 0.432 578 N N 1.125 119.663 118.700 -0.270 0.000 2.782 578 N HA -0.225 4.515 4.740 0.000 0.000 0.251 578 N C -0.392 174.912 175.510 -0.344 0.000 1.101 578 N CA 0.490 53.378 53.050 -0.270 0.000 0.764 578 N CB -0.880 37.489 38.487 -0.197 0.000 1.122 578 N HN 0.456 nan 8.380 nan 0.000 0.561 579 R N 0.835 121.023 120.500 -0.520 0.000 3.171 579 R HA 0.333 4.673 4.340 0.000 0.000 0.241 579 R C 1.272 177.213 176.300 -0.598 0.000 1.421 579 R CA -0.143 55.492 56.100 -0.774 0.000 1.444 579 R CB 0.270 29.809 30.300 -1.269 0.000 1.247 579 R HN 0.221 nan 8.270 nan 0.000 0.636 580 L N 0.574 121.543 121.223 -0.424 0.000 2.347 580 L HA 0.180 4.520 4.340 0.000 0.000 0.196 580 L C -0.093 176.580 176.870 -0.328 0.000 1.072 580 L CA 0.471 54.970 54.840 -0.569 0.000 0.817 580 L CB 0.102 41.412 42.059 -1.248 0.000 1.029 580 L HN 0.321 nan 8.230 nan 0.000 0.478 581 Y N 1.332 121.775 120.300 0.237 0.000 2.434 581 Y HA 0.244 4.794 4.550 0.000 0.000 0.341 581 Y C -1.520 174.419 175.900 0.064 0.000 0.965 581 Y CA -3.416 54.758 58.100 0.123 0.000 1.205 581 Y CB -0.194 38.242 38.460 -0.040 0.000 1.121 581 Y HN -0.025 nan 8.280 nan 0.000 0.507 582 P HA -0.119 nan 4.420 nan 0.000 0.223 582 P C 0.560 177.740 177.300 -0.199 0.000 1.144 582 P CA 1.148 63.987 63.100 -0.436 0.000 0.783 582 P CB 0.520 31.910 31.700 -0.517 0.000 0.771 583 S N -0.985 114.715 115.700 0.001 0.000 2.575 583 S HA 0.485 4.955 4.470 0.000 0.000 0.237 583 S C 0.780 175.288 174.600 -0.152 0.000 0.975 583 S CA 0.271 58.551 58.200 0.134 0.000 0.960 583 S CB 0.010 63.429 63.200 0.365 0.000 0.822 583 S HN 0.528 nan 8.310 nan 0.000 0.472 584 G N 1.384 110.029 108.800 -0.258 0.000 2.663 584 G HA2 -0.142 3.818 3.960 0.000 0.000 0.686 584 G HA3 -0.142 3.818 3.960 0.000 0.000 0.686 584 G C -0.425 174.375 174.900 -0.166 0.000 1.288 584 G CA -0.404 44.497 45.100 -0.332 0.000 0.836 584 G HN 0.201 nan 8.290 nan 0.000 0.584 585 D N -0.114 120.163 120.400 -0.205 0.000 2.194 585 D HA 0.039 4.679 4.640 0.000 0.000 0.204 585 D C 0.754 176.733 176.300 -0.534 0.000 0.964 585 D CA 1.354 55.174 54.000 -0.300 0.000 0.846 585 D CB 0.011 40.577 40.800 -0.390 0.000 0.962 585 D HN 0.484 nan 8.370 nan 0.000 0.490 586 H N 0.434 119.471 119.070 -0.055 0.000 2.786 586 H HA 0.243 4.799 4.556 0.000 0.000 0.284 586 H C 1.028 176.335 175.328 -0.035 0.000 1.104 586 H CA -0.299 55.732 56.048 -0.028 0.000 1.339 586 H CB 1.473 31.230 29.762 -0.007 0.000 1.427 586 H HN -0.208 nan 8.280 nan 0.000 0.497 587 V N 3.645 123.590 119.914 0.053 0.000 2.346 587 V HA -0.040 4.080 4.120 0.000 0.000 0.244 587 V C -1.554 174.640 176.094 0.166 0.000 1.037 587 V CA 0.614 62.976 62.300 0.102 0.000 1.029 587 V CB -1.101 30.748 31.823 0.043 0.000 0.663 587 V HN 0.457 nan 8.190 nan 0.000 0.454 588 P HA -0.011 nan 4.420 nan 0.000 0.261 588 P C 0.336 177.750 177.300 0.189 0.000 1.173 588 P CA 0.932 64.092 63.100 0.100 0.000 0.760 588 P CB -0.005 31.723 31.700 0.046 0.000 0.783 589 Q N -1.704 118.236 119.800 0.233 0.000 2.362 589 Q HA -0.236 4.104 4.340 0.000 0.000 0.220 589 Q C -0.250 176.026 176.000 0.461 0.000 0.713 589 Q CA 0.549 56.557 55.803 0.342 0.000 1.345 589 Q CB -1.735 27.144 28.738 0.236 0.000 1.570 589 Q HN 0.548 nan 8.270 nan 0.000 0.701 590 W N 1.780 123.168 121.300 0.147 0.000 2.253 590 W HA 0.286 4.946 4.660 0.000 0.000 0.322 590 W C 1.246 177.669 176.519 -0.160 0.000 1.342 590 W CA 0.065 57.431 57.345 0.035 0.000 1.218 590 W CB 0.554 30.015 29.460 0.002 0.000 1.205 590 W HN 0.116 nan 8.180 nan 0.000 0.551 591 S N 3.528 118.807 115.700 -0.701 0.000 2.481 591 S HA 0.106 4.576 4.470 0.000 0.000 0.231 591 S C 1.582 175.371 174.600 -1.352 0.000 0.996 591 S CA 0.852 58.197 58.200 -1.426 0.000 0.942 591 S CB -0.404 62.224 63.200 -0.954 0.000 0.768 591 S HN 1.728 nan 8.310 nan 0.000 0.520 592 G N 0.617 108.113 108.800 -2.174 0.000 2.176 592 G HA2 -0.169 3.791 3.960 0.000 0.000 0.232 592 G HA3 -0.169 3.791 3.960 0.000 0.000 0.232 592 G C -0.462 173.766 174.900 -1.120 0.000 0.986 592 G CA 0.073 43.883 45.100 -2.150 0.000 0.643 592 G HN 0.565 nan 8.290 nan 0.000 0.522 593 D N 1.161 121.152 120.400 -0.681 0.000 2.225 593 D HA 0.558 5.198 4.640 0.000 0.000 0.248 593 D C 0.724 177.157 176.300 0.222 0.000 1.096 593 D CA 1.448 55.352 54.000 -0.159 0.000 0.863 593 D CB 1.337 42.060 40.800 -0.129 0.000 1.156 593 D HN 1.373 nan 8.370 nan 0.000 0.450 594 G N 0.183 109.097 108.800 0.190 0.000 2.428 594 G HA2 -0.081 3.879 3.960 0.000 0.000 0.681 594 G HA3 -0.081 3.879 3.960 0.000 0.000 0.681 594 G C -0.991 174.010 174.900 0.168 0.000 1.340 594 G CA -1.003 44.223 45.100 0.210 0.000 0.915 594 G HN 0.334 nan 8.290 nan 0.000 0.645 595 V N 2.358 122.308 119.914 0.059 0.000 2.299 595 V HA 0.623 4.743 4.120 0.000 0.000 0.255 595 V C 0.814 176.859 176.094 -0.081 0.000 1.100 595 V CA 0.614 62.911 62.300 -0.004 0.000 0.938 595 V CB -0.333 31.485 31.823 -0.009 0.000 1.139 595 V HN 1.024 nan 8.190 nan 0.000 0.490 596 R N 2.760 123.161 120.500 -0.165 0.000 2.781 596 R HA 0.832 5.172 4.340 0.000 0.000 0.269 596 R C 0.466 176.461 176.300 -0.509 0.000 1.025 596 R CA -0.143 55.758 56.100 -0.332 0.000 0.914 596 R CB 1.158 31.171 30.300 -0.478 0.000 1.236 596 R HN 0.766 nan 8.270 nan 0.000 0.465 597 G N 1.170 109.566 108.800 -0.674 0.000 2.594 597 G HA2 -0.435 3.525 3.960 0.000 0.000 0.297 597 G HA3 -0.435 3.525 3.960 0.000 0.000 0.297 597 G C 0.569 174.354 174.900 -1.859 0.000 1.273 597 G CA 0.874 45.286 45.100 -1.148 0.000 0.974 597 G HN 0.777 nan 8.290 nan 0.000 0.552 598 M N 0.445 119.184 119.600 -1.435 0.000 2.144 598 M HA -0.040 4.440 4.480 0.000 0.000 0.260 598 M C 2.420 178.433 176.300 -0.479 0.000 1.067 598 M CA 2.851 57.598 55.300 -0.921 0.000 1.095 598 M CB -0.570 31.803 32.600 -0.379 0.000 1.365 598 M HN 0.629 nan 8.290 nan 0.000 0.406 599 R N -0.434 119.857 120.500 -0.348 0.000 2.096 599 R HA -0.195 4.145 4.340 0.000 0.000 0.235 599 R C 2.238 178.440 176.300 -0.163 0.000 1.127 599 R CA 1.950 57.948 56.100 -0.170 0.000 0.968 599 R CB -0.364 29.895 30.300 -0.070 0.000 0.861 599 R HN 0.686 nan 8.270 nan 0.000 0.440 600 E N -0.489 119.546 120.200 -0.274 0.000 2.072 600 E HA -0.174 4.176 4.350 0.000 0.000 0.190 600 E C 1.399 178.016 176.600 0.028 0.000 0.982 600 E CA 1.060 57.380 56.400 -0.134 0.000 0.803 600 E CB -0.085 29.525 29.700 -0.149 0.000 0.755 600 E HN 0.404 nan 8.360 nan 0.000 0.453 601 W N 0.727 121.975 121.300 -0.086 0.000 2.363 601 W HA -0.052 4.608 4.660 0.000 0.000 0.296 601 W C 2.093 178.572 176.519 -0.067 0.000 1.212 601 W CA 0.269 57.560 57.345 -0.089 0.000 1.260 601 W CB -0.860 28.522 29.460 -0.130 0.000 1.131 601 W HN 0.165 nan 8.180 nan 0.000 0.530 602 I N -0.030 120.605 120.570 0.109 0.000 2.353 602 I HA -0.072 4.098 4.170 0.000 0.000 0.248 602 I C 2.149 178.283 176.117 0.029 0.000 1.119 602 I CA 1.260 62.585 61.300 0.043 0.000 1.417 602 I CB -1.072 36.919 38.000 -0.015 0.000 1.078 602 I HN 0.079 nan 8.210 nan 0.000 0.421 603 G N 2.443 111.257 108.800 0.023 0.000 2.634 603 G HA2 -0.431 3.529 3.960 0.000 0.000 0.309 603 G HA3 -0.431 3.529 3.960 0.000 0.000 0.309 603 G C 0.478 175.382 174.900 0.006 0.000 1.265 603 G CA 0.750 45.861 45.100 0.018 0.000 0.998 603 G HN 0.535 nan 8.290 nan 0.000 0.551 604 D N 1.135 121.541 120.400 0.009 0.000 2.328 604 D HA 0.387 5.027 4.640 0.000 0.000 0.221 604 D C 1.805 178.106 176.300 0.002 0.000 1.072 604 D CA 1.109 55.112 54.000 0.005 0.000 0.850 604 D CB -0.426 40.379 40.800 0.008 0.000 0.922 604 D HN 2.151 nan 8.370 nan 0.000 0.516 605 G N 0.402 109.203 108.800 0.002 0.000 2.168 605 G HA2 -0.372 3.589 3.960 0.000 0.000 0.263 605 G HA3 -0.372 3.589 3.960 0.000 0.000 0.263 605 G C 1.108 176.011 174.900 0.005 0.000 0.977 605 G CA 0.918 46.015 45.100 -0.006 0.000 0.659 605 G HN 0.722 nan 8.290 nan 0.000 0.533 606 S N -0.709 114.999 115.700 0.015 0.000 2.524 606 S HA 0.296 4.766 4.470 0.000 0.000 0.216 606 S C 0.636 175.253 174.600 0.029 0.000 0.987 606 S CA 0.611 58.824 58.200 0.022 0.000 0.909 606 S CB 0.328 63.540 63.200 0.021 0.000 0.781 606 S HN 0.623 nan 8.310 nan 0.000 0.521 607 E N 2.498 122.717 120.200 0.031 0.000 2.392 607 E HA 0.144 4.494 4.350 0.000 0.000 0.264 607 E C -0.251 176.377 176.600 0.046 0.000 1.024 607 E CA -0.360 56.062 56.400 0.037 0.000 0.903 607 E CB 0.248 29.970 29.700 0.037 0.000 0.963 607 E HN 0.427 nan 8.360 nan 0.000 0.432 608 N N 2.613 121.342 118.700 0.048 0.000 2.492 608 N HA 0.013 4.753 4.740 0.000 0.000 0.262 608 N C 0.016 175.566 175.510 0.067 0.000 1.202 608 N CA 0.229 53.313 53.050 0.058 0.000 0.926 608 N CB 0.396 38.913 38.487 0.050 0.000 1.078 608 N HN 0.558 nan 8.380 nan 0.000 0.454 609 I N -1.879 118.743 120.570 0.086 0.000 4.026 609 I HA 0.410 4.580 4.170 0.000 0.000 0.324 609 I C -0.495 175.677 176.117 0.093 0.000 1.474 609 I CA -0.543 60.816 61.300 0.099 0.000 1.107 609 I CB 0.276 38.356 38.000 0.133 0.000 1.345 609 I HN 0.269 nan 8.210 nan 0.000 0.531 610 D N 2.481 122.925 120.400 0.074 0.000 2.280 610 D HA 0.210 4.850 4.640 0.000 0.000 0.236 610 D C 0.281 176.584 176.300 0.005 0.000 1.082 610 D CA 0.052 54.078 54.000 0.043 0.000 0.834 610 D CB 0.630 41.475 40.800 0.076 0.000 1.100 610 D HN 0.248 nan 8.370 nan 0.000 0.486 611 N N 2.509 121.177 118.700 -0.053 0.000 2.648 611 N HA -0.218 4.522 4.740 0.000 0.000 0.265 611 N C -1.404 174.095 175.510 -0.018 0.000 1.100 611 N CA 1.319 54.339 53.050 -0.050 0.000 0.715 611 N CB -0.958 37.517 38.487 -0.020 0.000 0.881 611 N HN 0.556 nan 8.380 nan 0.000 0.548 612 T N -0.651 113.894 114.554 -0.014 0.000 2.649 612 T HA 0.294 4.644 4.350 0.000 0.000 0.305 612 T C -1.944 172.761 174.700 0.009 0.000 1.409 612 T CA -0.547 61.556 62.100 0.005 0.000 1.021 612 T CB 0.621 69.505 68.868 0.026 0.000 1.726 612 T HN 0.063 nan 8.240 nan 0.000 0.475 613 D N 2.391 122.806 120.400 0.025 0.000 2.316 613 D HA 0.476 5.116 4.640 0.000 0.000 0.245 613 D C 0.211 176.575 176.300 0.107 0.000 1.171 613 D CA 0.009 54.026 54.000 0.028 0.000 0.856 613 D CB 0.460 41.256 40.800 -0.006 0.000 1.090 613 D HN 0.633 nan 8.370 nan 0.000 0.476 614 I N -1.750 118.885 120.570 0.108 0.000 3.067 614 I HA 0.608 4.778 4.170 0.000 0.000 0.312 614 I C -1.110 175.114 176.117 0.177 0.000 1.073 614 I CA -1.144 60.245 61.300 0.149 0.000 1.016 614 I CB 1.958 40.046 38.000 0.148 0.000 1.227 614 I HN 0.012 nan 8.210 nan 0.000 0.456 615 L N 2.665 123.996 121.223 0.181 0.000 2.409 615 L HA 0.472 4.812 4.340 0.000 0.000 0.272 615 L C -1.507 175.496 176.870 0.222 0.000 0.980 615 L CA -0.443 54.487 54.840 0.149 0.000 0.826 615 L CB 2.329 44.474 42.059 0.144 0.000 1.268 615 L HN 0.530 nan 8.230 nan 0.000 0.407 616 F N 3.834 123.747 119.950 -0.062 0.000 2.375 616 F HA 0.525 5.052 4.527 0.000 0.000 0.361 616 F C -0.975 174.746 175.800 -0.133 0.000 1.117 616 F CA -0.637 57.363 58.000 0.000 0.000 1.037 616 F CB 0.685 39.678 39.000 -0.012 0.000 1.192 616 F HN 0.114 nan 8.300 nan 0.000 0.452 617 F N 5.331 125.315 119.950 0.057 0.000 2.388 617 F HA 0.278 4.805 4.527 0.000 0.000 0.358 617 F C -0.225 175.650 175.800 0.125 0.000 1.122 617 F CA -0.656 57.419 58.000 0.124 0.000 1.056 617 F CB 0.745 39.810 39.000 0.108 0.000 1.155 617 F HN 0.426 nan 8.300 nan 0.000 0.461 618 H N 1.612 120.847 119.070 0.275 0.000 2.481 618 H HA 0.457 5.013 4.556 0.000 0.000 0.333 618 H C -0.805 174.749 175.328 0.378 0.000 1.066 618 H CA -0.589 55.601 56.048 0.238 0.000 1.209 618 H CB 1.163 31.075 29.762 0.250 0.000 1.445 618 H HN 0.504 nan 8.280 nan 0.000 0.488 619 T N 7.506 122.055 114.554 -0.009 0.000 2.744 619 T HA 0.415 4.765 4.350 0.000 0.000 0.291 619 T C -0.862 173.776 174.700 -0.104 0.000 0.957 619 T CA -0.295 61.876 62.100 0.117 0.000 1.002 619 T CB -0.322 68.704 68.868 0.264 0.000 0.919 619 T HN 0.492 nan 8.240 nan 0.000 0.468 620 F N 0.303 120.186 119.950 -0.112 0.000 2.715 620 F HA 0.960 5.487 4.527 0.000 0.000 0.318 620 F C 0.126 176.067 175.800 0.234 0.000 1.141 620 F CA -0.879 57.098 58.000 -0.039 0.000 0.950 620 F CB 1.062 39.996 39.000 -0.110 0.000 1.374 620 F HN 0.872 nan 8.300 nan 0.000 0.477 621 G N 0.297 109.186 108.800 0.148 0.000 2.373 621 G HA2 0.430 4.390 3.960 0.000 0.000 0.250 621 G HA3 0.430 4.390 3.960 0.000 0.000 0.250 621 G C -1.957 173.053 174.900 0.183 0.000 1.304 621 G CA -0.313 44.893 45.100 0.177 0.000 0.948 621 G HN 1.577 nan 8.290 nan 0.000 0.474 622 I N -3.002 117.671 120.570 0.172 0.000 3.191 622 I HA 0.859 5.029 4.170 0.000 0.000 0.313 622 I C -0.835 175.306 176.117 0.040 0.000 1.193 622 I CA -1.053 60.308 61.300 0.103 0.000 0.968 622 I CB 2.244 40.289 38.000 0.076 0.000 1.262 622 I HN 0.480 nan 8.210 nan 0.000 0.456 623 T N 1.160 115.699 114.554 -0.025 0.000 2.770 623 T HA 0.333 4.684 4.350 0.000 0.000 0.283 623 T C -0.969 173.576 174.700 -0.258 0.000 0.988 623 T CA -0.152 61.837 62.100 -0.186 0.000 0.957 623 T CB 0.134 68.914 68.868 -0.146 0.000 0.930 623 T HN 0.620 nan 8.240 nan 0.000 0.443 624 H N 2.876 121.588 119.070 -0.597 0.000 2.541 624 H HA 0.431 4.987 4.556 0.000 0.000 0.316 624 H C -1.170 173.745 175.328 -0.688 0.000 1.043 624 H CA -1.083 54.631 56.048 -0.557 0.000 1.232 624 H CB 0.349 29.743 29.762 -0.613 0.000 1.406 624 H HN 0.429 nan 8.280 nan 0.000 0.469 625 F N 6.734 126.801 119.950 0.196 0.000 2.311 625 F HA 0.280 4.807 4.527 0.000 0.000 0.371 625 F C -1.989 173.903 175.800 0.153 0.000 1.083 625 F CA -2.493 55.559 58.000 0.086 0.000 1.113 625 F CB 0.858 39.900 39.000 0.070 0.000 1.349 625 F HN 0.535 nan 8.300 nan 0.000 0.470 626 P HA 0.214 nan 4.420 nan 0.000 0.266 626 P C -0.685 176.721 177.300 0.176 0.000 1.193 626 P CA 0.099 63.266 63.100 0.112 0.000 0.770 626 P CB 0.770 32.463 31.700 -0.011 0.000 0.836 627 A N 4.053 126.985 122.820 0.188 0.000 2.515 627 A HA 0.606 4.926 4.320 0.000 0.000 0.296 627 A C -2.120 175.548 177.584 0.140 0.000 1.094 627 A CA -1.478 50.643 52.037 0.140 0.000 0.718 627 A CB 0.822 19.902 19.000 0.133 0.000 1.307 627 A HN 0.244 nan 8.150 nan 0.000 0.408 628 P HA -0.152 nan 4.420 nan 0.000 0.217 628 P C 0.762 178.168 177.300 0.176 0.000 1.148 628 P CA 1.524 64.716 63.100 0.154 0.000 0.828 628 P CB 0.278 32.053 31.700 0.124 0.000 0.783 629 E N -0.636 119.643 120.200 0.133 0.000 2.209 629 E HA -0.168 4.182 4.350 0.000 0.000 0.196 629 E C 1.322 177.992 176.600 0.117 0.000 0.993 629 E CA 1.066 57.530 56.400 0.107 0.000 0.819 629 E CB -0.716 29.030 29.700 0.076 0.000 0.745 629 E HN 0.350 nan 8.360 nan 0.000 0.477 630 D N -0.923 119.578 120.400 0.168 0.000 2.363 630 D HA -0.024 4.616 4.640 0.000 0.000 0.220 630 D C -0.209 176.227 176.300 0.226 0.000 0.994 630 D CA 0.412 54.523 54.000 0.183 0.000 0.890 630 D CB 0.106 41.069 40.800 0.272 0.000 0.906 630 D HN 0.067 nan 8.370 nan 0.000 0.530 631 F N 1.197 121.173 119.950 0.043 0.000 2.538 631 F HA 0.312 4.839 4.527 0.000 0.000 0.325 631 F C -1.682 174.134 175.800 0.027 0.000 1.066 631 F CA -2.388 55.630 58.000 0.030 0.000 0.946 631 F CB 2.110 41.141 39.000 0.052 0.000 1.199 631 F HN -0.304 nan 8.300 nan 0.000 0.473 632 P HA 0.075 nan 4.420 nan 0.000 0.245 632 P C -0.453 176.522 177.300 -0.540 0.000 1.206 632 P CA 0.816 63.158 63.100 -1.263 0.000 0.781 632 P CB 1.127 32.273 31.700 -0.923 0.000 0.994 633 L N 0.307 121.312 121.223 -0.363 0.000 2.410 633 L HA 0.506 4.846 4.340 0.000 0.000 0.270 633 L C -0.609 176.119 176.870 -0.237 0.000 0.983 633 L CA -1.130 53.436 54.840 -0.456 0.000 0.822 633 L CB 2.785 44.346 42.059 -0.830 0.000 1.285 633 L HN -0.163 nan 8.230 nan 0.000 0.409 634 M N 6.203 125.698 119.600 -0.176 0.000 2.188 634 M HA 0.472 4.952 4.480 0.000 0.000 0.357 634 M C -2.377 173.856 176.300 -0.113 0.000 1.204 634 M CA -1.433 53.818 55.300 -0.082 0.000 1.095 634 M CB 1.675 34.266 32.600 -0.015 0.000 1.604 634 M HN 0.272 nan 8.290 nan 0.000 0.464 635 P HA 0.125 nan 4.420 nan 0.000 0.271 635 P C -1.236 176.007 177.300 -0.095 0.000 1.218 635 P CA -0.177 62.873 63.100 -0.085 0.000 0.780 635 P CB 0.566 32.233 31.700 -0.056 0.000 0.901 636 A N 2.492 125.253 122.820 -0.098 0.000 2.566 636 A HA -0.002 4.318 4.320 0.000 0.000 0.245 636 A C 0.370 177.892 177.584 -0.104 0.000 1.056 636 A CA 0.422 52.397 52.037 -0.103 0.000 0.757 636 A CB -0.552 18.399 19.000 -0.081 0.000 0.979 636 A HN 0.565 nan 8.150 nan 0.000 0.508 637 E N 3.643 123.764 120.200 -0.131 0.000 2.151 637 E HA 0.415 4.765 4.350 0.000 0.000 0.275 637 E C -2.528 174.007 176.600 -0.109 0.000 0.936 637 E CA -2.230 54.092 56.400 -0.130 0.000 0.777 637 E CB 1.656 31.243 29.700 -0.188 0.000 1.108 637 E HN 0.539 nan 8.360 nan 0.000 0.401 638 P HA 0.333 nan 4.420 nan 0.000 0.282 638 P C -0.678 176.594 177.300 -0.046 0.000 1.249 638 P CA -0.217 62.843 63.100 -0.068 0.000 0.806 638 P CB 1.338 32.996 31.700 -0.069 0.000 0.984 639 I N 0.595 121.141 120.570 -0.039 0.000 2.722 639 I HA 0.521 4.691 4.170 0.000 0.000 0.295 639 I C -0.147 175.950 176.117 -0.034 0.000 1.161 639 I CA -0.524 60.778 61.300 0.004 0.000 1.032 639 I CB 2.633 40.657 38.000 0.041 0.000 1.244 639 I HN 0.304 nan 8.210 nan 0.000 0.421 640 T N 6.311 120.841 114.554 -0.040 0.000 2.885 640 T HA 0.691 5.041 4.350 0.000 0.000 0.322 640 T C -1.964 172.629 174.700 -0.178 0.000 1.387 640 T CA -0.562 61.459 62.100 -0.132 0.000 1.041 640 T CB 1.570 70.370 68.868 -0.113 0.000 1.287 640 T HN 0.596 nan 8.240 nan 0.000 0.491 641 L N 1.852 122.911 121.223 -0.273 0.000 2.469 641 L HA 0.862 5.202 4.340 0.000 0.000 0.256 641 L C -1.727 175.017 176.870 -0.210 0.000 1.006 641 L CA -1.157 53.528 54.840 -0.259 0.000 0.832 641 L CB 1.874 43.680 42.059 -0.421 0.000 1.421 641 L HN 0.961 nan 8.230 nan 0.000 0.410 642 M N 2.304 121.821 119.600 -0.139 0.000 2.484 642 M HA 0.633 5.113 4.480 0.000 0.000 0.289 642 M C -2.234 174.040 176.300 -0.042 0.000 1.206 642 M CA -0.557 54.688 55.300 -0.092 0.000 0.892 642 M CB 2.786 35.352 32.600 -0.057 0.000 1.712 642 M HN 0.697 nan 8.290 nan 0.000 0.462 643 L N 4.613 125.847 121.223 0.019 0.000 2.316 643 L HA 0.586 4.926 4.340 0.000 0.000 0.280 643 L C -0.810 176.161 176.870 0.169 0.000 1.006 643 L CA -0.516 54.412 54.840 0.147 0.000 0.836 643 L CB 1.562 43.788 42.059 0.279 0.000 1.221 643 L HN 0.712 nan 8.230 nan 0.000 0.418 644 R N 4.206 124.702 120.500 -0.008 0.000 2.532 644 R HA 0.494 4.834 4.340 0.000 0.000 0.295 644 R C -2.588 173.337 176.300 -0.626 0.000 0.968 644 R CA -1.906 54.071 56.100 -0.205 0.000 0.916 644 R CB 1.449 31.684 30.300 -0.108 0.000 1.124 644 R HN 0.265 nan 8.270 nan 0.000 0.463 645 P HA 0.152 nan 4.420 nan 0.000 0.282 645 P C -0.967 176.125 177.300 -0.346 0.000 1.262 645 P CA -0.322 62.166 63.100 -1.021 0.000 0.773 645 P CB 0.954 32.220 31.700 -0.724 0.000 0.879 646 R N 3.178 123.552 120.500 -0.211 0.000 2.483 646 R HA 0.275 4.615 4.340 0.000 0.000 0.303 646 R C 0.516 176.811 176.300 -0.008 0.000 0.987 646 R CA -0.672 55.343 56.100 -0.141 0.000 0.881 646 R CB 0.163 30.426 30.300 -0.061 0.000 1.177 646 R HN 0.658 nan 8.270 nan 0.000 0.451 647 H N 0.919 120.007 119.070 0.030 0.000 3.237 647 H HA -0.219 4.337 4.556 0.000 0.000 0.231 647 H C 0.696 176.024 175.328 -0.001 0.000 1.148 647 H CA 1.172 57.233 56.048 0.022 0.000 1.155 647 H CB -1.217 28.548 29.762 0.004 0.000 1.210 647 H HN 0.541 nan 8.280 nan 0.000 0.317 648 F N 0.417 120.289 119.950 -0.131 0.000 2.179 648 F HA 0.162 4.689 4.527 0.000 0.000 0.292 648 F C 0.993 176.523 175.800 -0.450 0.000 1.089 648 F CA 0.671 58.474 58.000 -0.329 0.000 1.295 648 F CB 0.222 38.893 39.000 -0.548 0.000 1.041 648 F HN -0.061 nan 8.300 nan 0.000 0.487 649 F N -0.346 119.656 119.950 0.086 0.000 2.457 649 F HA 0.259 4.786 4.527 0.000 0.000 0.330 649 F C 1.669 177.442 175.800 -0.046 0.000 1.069 649 F CA -0.177 57.817 58.000 -0.010 0.000 1.009 649 F CB 0.622 39.629 39.000 0.013 0.000 1.276 649 F HN -0.224 nan 8.300 nan 0.000 0.492 650 T N -3.157 111.481 114.554 0.141 0.000 3.060 650 T HA 0.255 4.605 4.350 0.000 0.000 0.249 650 T C -0.162 174.640 174.700 0.170 0.000 1.079 650 T CA 0.210 62.318 62.100 0.013 0.000 1.013 650 T CB -0.587 68.096 68.868 -0.309 0.000 0.975 650 T HN 0.728 nan 8.240 nan 0.000 0.518 651 E N 0.031 120.321 120.200 0.151 0.000 2.422 651 E HA 0.263 4.613 4.350 0.000 0.000 0.280 651 E C -1.416 175.184 176.600 0.000 0.000 1.091 651 E CA -1.209 55.243 56.400 0.085 0.000 0.849 651 E CB -0.057 29.689 29.700 0.075 0.000 1.353 651 E HN -0.118 nan 8.360 nan 0.000 0.449 652 N N 2.246 120.907 118.700 -0.065 0.000 2.332 652 N HA -0.019 4.721 4.740 0.000 0.000 0.274 652 N C -1.276 174.131 175.510 -0.170 0.000 1.351 652 N CA -1.083 51.888 53.050 -0.133 0.000 0.875 652 N CB 0.643 39.012 38.487 -0.198 0.000 1.140 652 N HN 0.412 nan 8.380 nan 0.000 0.489 653 P HA 0.008 nan 4.420 nan 0.000 0.233 653 P C 0.769 177.982 177.300 -0.145 0.000 1.167 653 P CA 0.668 63.521 63.100 -0.411 0.000 0.770 653 P CB 0.089 31.100 31.700 -1.148 0.000 0.837 654 G N -0.233 108.555 108.800 -0.021 0.000 3.189 654 G HA2 0.067 4.027 3.960 0.000 0.000 0.225 654 G HA3 0.067 4.027 3.960 0.000 0.000 0.225 654 G C 1.304 176.361 174.900 0.262 0.000 1.159 654 G CA -0.188 45.001 45.100 0.148 0.000 0.763 654 G HN 0.186 nan 8.290 nan 0.000 0.549 655 L N 1.040 122.327 121.223 0.107 0.000 2.362 655 L HA 0.003 4.343 4.340 0.000 0.000 0.219 655 L C 1.834 178.776 176.870 0.120 0.000 1.134 655 L CA 0.967 55.853 54.840 0.077 0.000 0.807 655 L CB -0.062 41.953 42.059 -0.073 0.000 0.927 655 L HN 0.258 nan 8.230 nan 0.000 0.447 656 D N -0.303 120.166 120.400 0.115 0.000 2.325 656 D HA 0.049 4.689 4.640 0.000 0.000 0.225 656 D C 0.612 176.956 176.300 0.074 0.000 1.096 656 D CA -0.021 54.038 54.000 0.098 0.000 0.844 656 D CB -0.130 40.756 40.800 0.143 0.000 0.925 656 D HN 0.206 nan 8.370 nan 0.000 0.513 657 I N 1.566 122.192 120.570 0.093 0.000 2.395 657 I HA 0.007 4.177 4.170 0.000 0.000 0.289 657 I C 0.624 176.775 176.117 0.057 0.000 1.023 657 I CA -0.680 60.650 61.300 0.050 0.000 1.350 657 I CB 0.906 38.925 38.000 0.032 0.000 1.409 657 I HN -0.233 nan 8.210 nan 0.000 0.507 658 Q N 6.885 126.701 119.800 0.026 0.000 2.262 658 Q HA 0.102 4.442 4.340 0.000 0.000 0.298 658 Q C -2.147 173.868 176.000 0.026 0.000 1.083 658 Q CA -1.119 54.699 55.803 0.025 0.000 0.962 658 Q CB -0.028 28.717 28.738 0.012 0.000 1.104 658 Q HN 0.308 nan 8.270 nan 0.000 0.376 659 P HA 0.072 nan 4.420 nan 0.000 0.272 659 P C 0.293 177.613 177.300 0.034 0.000 1.223 659 P CA -0.009 63.117 63.100 0.044 0.000 0.784 659 P CB 0.761 32.498 31.700 0.061 0.000 0.923 660 S N -0.015 115.712 115.700 0.045 0.000 2.406 660 S HA -0.022 4.448 4.470 0.000 0.000 0.228 660 S C 0.070 174.764 174.600 0.157 0.000 1.020 660 S CA 1.084 59.327 58.200 0.073 0.000 0.965 660 S CB -0.401 62.833 63.200 0.056 0.000 0.798 660 S HN 0.585 nan 8.310 nan 0.000 0.488 661 Y N -0.286 120.023 120.300 0.016 0.000 2.521 661 Y HA 0.560 5.110 4.550 0.000 0.000 0.332 661 Y C -1.670 174.252 175.900 0.037 0.000 1.121 661 Y CA -1.104 57.010 58.100 0.022 0.000 1.037 661 Y CB 1.001 39.472 38.460 0.018 0.000 1.330 661 Y HN -0.054 nan 8.280 nan 0.000 0.452 662 A N 6.534 128.888 122.820 -0.776 0.000 2.491 662 A HA 0.700 5.020 4.320 0.000 0.000 0.293 662 A C -1.936 175.313 177.584 -0.558 0.000 1.047 662 A CA -0.463 51.295 52.037 -0.465 0.000 0.735 662 A CB 1.229 20.125 19.000 -0.174 0.000 1.281 662 A HN 0.861 nan 8.150 nan 0.000 0.398 663 M N 3.212 122.608 119.600 -0.341 0.000 2.224 663 M HA 0.506 4.986 4.480 0.000 0.000 0.281 663 M C 0.066 176.333 176.300 -0.056 0.000 1.025 663 M CA -0.145 55.045 55.300 -0.183 0.000 0.954 663 M CB 1.898 34.443 32.600 -0.092 0.000 1.639 663 M HN 0.969 nan 8.290 nan 0.000 0.461 664 T N 0.528 115.055 114.554 -0.046 0.000 2.788 664 T HA 0.310 4.660 4.350 0.000 0.000 0.280 664 T C 0.846 175.540 174.700 -0.010 0.000 0.984 664 T CA -0.193 61.895 62.100 -0.020 0.000 0.972 664 T CB 0.935 69.789 68.868 -0.022 0.000 1.039 664 T HN 0.715 nan 8.240 nan 0.000 0.530 665 T N 1.269 115.816 114.554 -0.011 0.000 2.746 665 T HA -0.123 4.227 4.350 0.000 0.000 0.267 665 T C 2.398 177.089 174.700 -0.014 0.000 1.039 665 T CA 1.808 63.898 62.100 -0.017 0.000 1.142 665 T CB -0.701 68.150 68.868 -0.028 0.000 0.866 665 T HN 0.867 nan 8.240 nan 0.000 0.444 666 S N 1.892 117.583 115.700 -0.014 0.000 2.368 666 S HA -0.112 4.358 4.470 0.000 0.000 0.224 666 S C 1.887 176.482 174.600 -0.008 0.000 1.029 666 S CA 1.030 59.222 58.200 -0.012 0.000 0.988 666 S CB -0.453 62.739 63.200 -0.013 0.000 0.838 666 S HN 0.591 nan 8.310 nan 0.000 0.462 667 E N 1.888 122.081 120.200 -0.011 0.000 2.106 667 E HA -0.000 4.350 4.350 0.000 0.000 0.192 667 E C 2.439 179.041 176.600 0.003 0.000 0.984 667 E CA 0.924 57.318 56.400 -0.010 0.000 0.806 667 E CB -0.433 29.253 29.700 -0.023 0.000 0.750 667 E HN 0.710 nan 8.360 nan 0.000 0.458 668 A N 1.878 124.702 122.820 0.008 0.000 1.902 668 A HA -0.230 4.090 4.320 0.000 0.000 0.217 668 A C 1.968 179.564 177.584 0.021 0.000 1.181 668 A CA 1.465 53.517 52.037 0.023 0.000 0.623 668 A CB -0.286 18.727 19.000 0.022 0.000 0.818 668 A HN 0.044 nan 8.150 nan 0.000 0.443 669 K N -0.649 119.757 120.400 0.010 0.000 2.063 669 K HA -0.146 4.174 4.320 0.000 0.000 0.208 669 K C 2.356 178.968 176.600 0.021 0.000 1.048 669 K CA 1.568 57.862 56.287 0.012 0.000 0.928 669 K CB -0.200 32.301 32.500 0.002 0.000 0.713 669 K HN 0.394 nan 8.250 nan 0.000 0.442 670 R N 0.317 120.824 120.500 0.012 0.000 2.070 670 R HA -0.113 4.227 4.340 0.000 0.000 0.233 670 R C 2.439 178.746 176.300 0.011 0.000 1.137 670 R CA 1.494 57.600 56.100 0.010 0.000 0.945 670 R CB -0.359 29.942 30.300 0.002 0.000 0.845 670 R HN 0.199 nan 8.270 nan 0.000 0.430 671 A N 0.575 123.403 122.820 0.014 0.000 1.855 671 A HA -0.120 4.200 4.320 0.000 0.000 0.215 671 A C 2.237 179.836 177.584 0.024 0.000 1.191 671 A CA 1.314 53.359 52.037 0.013 0.000 0.613 671 A CB -0.983 18.034 19.000 0.027 0.000 0.829 671 A HN 0.209 nan 8.150 nan 0.000 0.442 672 V N -1.463 118.482 119.914 0.052 0.000 2.285 672 V HA -0.398 3.722 4.120 0.000 0.000 0.260 672 V C 1.804 178.004 176.094 0.176 0.000 1.089 672 V CA 3.405 65.760 62.300 0.091 0.000 1.082 672 V CB -0.370 31.497 31.823 0.073 0.000 0.681 672 V HN 0.829 nan 8.190 nan 0.000 0.452 673 H N -2.548 116.525 119.070 0.004 0.000 1.907 673 H HA 0.129 4.685 4.556 0.000 0.000 0.115 673 H C 0.334 175.663 175.328 0.001 0.000 1.288 673 H CA 0.409 56.458 56.048 0.003 0.000 0.570 673 H CB 0.213 29.975 29.762 0.000 0.000 0.387 673 H HN 0.303 nan 8.280 nan 0.000 0.205 674 K N 1.310 121.808 120.400 0.162 0.000 3.409 674 K HA 0.103 4.423 4.320 0.000 0.000 0.141 674 K C -0.754 175.881 176.600 0.059 0.000 0.943 674 K CA 0.351 56.687 56.287 0.082 0.000 0.969 674 K CB 1.786 34.334 32.500 0.080 0.000 0.637 674 K HN 0.527 nan 8.250 nan 0.000 0.386 675 E N 0.000 120.234 120.200 0.056 0.000 2.725 675 E HA 0.000 4.350 4.350 0.000 0.000 0.291 675 E CA 0.000 56.414 56.400 0.024 0.000 0.976 675 E CB 0.000 29.707 29.700 0.011 0.000 0.812 675 E HN 0.000 nan 8.360 nan 0.000 0.440