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 2sbl_1_B DATA FIRST_RESID 7 DATA SEQUENCE KIKGTVVLMP KNELEXXXXX XXXXXLNAFL GRSVSLQLIS ATKADAHGKG DATA SEQUENCE KVGKDTFLEG INXXXXXLGA GESAFNIHFE WDGSMGIPGA FYIKNYMQVE DATA SEQUENCE FFLKSLTLEA IXXXXTIRFV CNSWVYNTKL YKSVRIFFAN HTYVPSETPA DATA SEQUENCE PLVSYREEEL KSLRGNGTGE RKEYDRIYDY DVYNDLGNPD KSEKLARPVL DATA SEQUENCE GGSSTFPYPR RGRTGRGPTV TDPNTEKQGE VFYVPRDENL GHLKSKDALE DATA SEQUENCE IGTKSLSQIV QPAFESAFDL KSTPIEFHSF QDVHDLYEGG IKLPRDVIST DATA SEQUENCE IIPLPVIKEL YRTDGQHILK FPQPHVVQVS QSAWMTDEEF AREMIAGVNP DATA SEQUENCE CVIRGLEEFP PKSNLDPAIY GDQSSKITAD SLDLDGYTMD EALGSRRLFM DATA SEQUENCE LDYHDIFMPY VRQINQLNSA KTYATRTILF LREDGTLKPV AIELSLPXXX DATA SEQUENCE XXXXAAVSQV VLPAKEGVES TIWLLAKAYV IVNDSCYHQL MSHWLNTHAA DATA SEQUENCE MEPFVIATHR HLSVLHPIYK LLTPHYRNNM NINALARQSL INANGIIETT DATA SEQUENCE FLPSKYSVEM SSAVYKNWVF TDQALPADLI KRGVAIKDPS TPHGVRLLIE DATA SEQUENCE DYPYAADGLE IWAAIKTWVQ EYVPLYYARD DDVKNDSELQ HWWKEAVEKG DATA SEQUENCE HGDLKDKPWW PKLQTLEDLV EVCLIIIWIA SALHAAVNFG QYPYGGLIMN DATA SEQUENCE RPTASRRLLP EKGTPEYEEM INNHEKAYLR TITSKLPTLI SLSVIEILST DATA SEQUENCE HASDEVYLGQ RDNPHWTSDS KALQAFQKFG NKLKEIEEKL VRRNNDPSLQ DATA SEQUENCE GNRLGPVQLP YTLLYPSSEE GLTFRGIPNS ISI 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 7 K HA 0.000 nan 4.320 nan 0.000 0.191 7 K C 0.000 176.718 176.600 0.196 0.000 0.988 7 K CA 0.000 56.393 56.287 0.177 0.000 0.838 7 K CB 0.000 32.562 32.500 0.104 0.000 1.064 8 I N -0.354 120.366 120.570 0.250 0.000 2.406 8 I HA 0.506 4.677 4.170 0.002 0.000 0.290 8 I C -0.463 175.808 176.117 0.258 0.000 0.999 8 I CA -0.994 60.430 61.300 0.206 0.000 1.124 8 I CB 1.643 39.708 38.000 0.109 0.000 1.289 8 I HN 0.329 nan 8.210 nan 0.000 0.441 9 K N 4.335 124.851 120.400 0.194 0.000 2.298 9 K HA 0.696 5.018 4.320 0.002 0.000 0.280 9 K C -0.256 176.337 176.600 -0.010 0.000 1.032 9 K CA 0.054 56.379 56.287 0.063 0.000 0.958 9 K CB 1.224 33.795 32.500 0.119 0.000 0.978 9 K HN 0.959 nan 8.250 nan 0.000 0.472 10 G N 0.843 109.560 108.800 -0.138 0.000 2.659 10 G HA2 0.518 4.479 3.960 0.002 0.000 0.296 10 G HA3 0.518 4.479 3.960 0.002 0.000 0.296 10 G C -1.479 173.333 174.900 -0.147 0.000 1.369 10 G CA -0.649 44.415 45.100 -0.061 0.000 0.937 10 G HN 0.582 nan 8.290 nan 0.000 0.485 11 T N -0.542 113.952 114.554 -0.099 0.000 2.928 11 T HA 0.548 4.899 4.350 0.002 0.000 0.296 11 T C -1.060 173.591 174.700 -0.083 0.000 1.000 11 T CA -0.399 61.644 62.100 -0.094 0.000 0.989 11 T CB 1.473 70.295 68.868 -0.076 0.000 1.005 11 T HN 0.524 nan 8.240 nan 0.000 0.442 12 V N 5.768 125.642 119.914 -0.067 0.000 2.370 12 V HA 0.508 4.629 4.120 0.002 0.000 0.283 12 V C 0.015 176.103 176.094 -0.010 0.000 1.023 12 V CA -0.688 61.571 62.300 -0.069 0.000 0.857 12 V CB 1.555 33.321 31.823 -0.096 0.000 0.985 12 V HN 0.821 nan 8.190 nan 0.000 0.443 13 V N 6.869 126.761 119.914 -0.036 0.000 2.394 13 V HA 0.502 4.623 4.120 0.002 0.000 0.282 13 V C -0.222 175.845 176.094 -0.045 0.000 1.031 13 V CA -0.424 61.861 62.300 -0.025 0.000 0.881 13 V CB 1.383 33.193 31.823 -0.021 0.000 0.982 13 V HN 0.556 nan 8.190 nan 0.000 0.451 14 L N 5.197 126.395 121.223 -0.042 0.000 2.323 14 L HA 0.688 5.029 4.340 0.002 0.000 0.265 14 L C -0.249 176.600 176.870 -0.036 0.000 1.012 14 L CA -0.376 54.400 54.840 -0.107 0.000 0.820 14 L CB 2.174 44.007 42.059 -0.375 0.000 1.334 14 L HN 0.540 nan 8.230 nan 0.000 0.427 15 M N 4.194 123.815 119.600 0.035 0.000 2.151 15 M HA 0.384 4.865 4.480 0.002 0.000 0.290 15 M C -2.519 173.849 176.300 0.114 0.000 0.965 15 M CA -1.606 53.738 55.300 0.074 0.000 0.930 15 M CB 2.301 34.976 32.600 0.125 0.000 1.560 15 M HN 0.226 nan 8.290 nan 0.000 0.438 16 P HA 0.029 nan 4.420 nan 0.000 0.269 16 P C 0.141 177.636 177.300 0.325 0.000 1.209 16 P CA 0.017 63.301 63.100 0.306 0.000 0.776 16 P CB 0.980 32.886 31.700 0.344 0.000 0.876 17 K N 3.450 124.114 120.400 0.440 0.000 2.071 17 K HA -0.291 4.030 4.320 0.002 0.000 0.217 17 K C 1.364 178.161 176.600 0.327 0.000 1.054 17 K CA 2.574 59.161 56.287 0.499 0.000 0.937 17 K CB -0.499 32.215 32.500 0.356 0.000 0.719 17 K HN 0.347 nan 8.250 nan 0.000 0.454 18 N N 0.444 119.281 118.700 0.228 0.000 2.348 18 N HA -0.128 4.613 4.740 0.002 0.000 0.185 18 N C 1.307 176.904 175.510 0.145 0.000 1.019 18 N CA 1.235 54.381 53.050 0.160 0.000 0.880 18 N CB 0.031 38.598 38.487 0.133 0.000 0.965 18 N HN 0.287 nan 8.380 nan 0.000 0.437 19 E N -0.053 120.241 120.200 0.156 0.000 2.274 19 E HA -0.013 4.338 4.350 0.002 0.000 0.194 19 E C 1.372 178.038 176.600 0.110 0.000 0.996 19 E CA 0.709 57.178 56.400 0.115 0.000 0.840 19 E CB 0.179 29.936 29.700 0.096 0.000 0.772 19 E HN 0.477 nan 8.360 nan 0.000 0.491 20 L N -0.208 121.111 121.223 0.160 0.000 2.749 20 L HA 0.165 4.506 4.340 0.002 0.000 0.242 20 L C 0.826 177.793 176.870 0.162 0.000 1.103 20 L CA -0.173 54.758 54.840 0.153 0.000 0.906 20 L CB 0.647 42.811 42.059 0.175 0.000 1.228 20 L HN -0.144 nan 8.230 nan 0.000 0.517 33 N N 0.700 119.548 118.700 0.245 0.000 2.364 33 N HA -0.020 4.721 4.740 0.002 0.000 0.183 33 N C 1.602 177.172 175.510 0.100 0.000 1.022 33 N CA 1.212 54.368 53.050 0.177 0.000 0.883 33 N CB 0.220 38.764 38.487 0.095 0.000 0.965 33 N HN 0.420 nan 8.380 nan 0.000 0.438 34 A N 0.263 123.085 122.820 0.003 0.000 2.070 34 A HA -0.063 4.258 4.320 0.002 0.000 0.220 34 A C 1.546 178.960 177.584 -0.283 0.000 1.159 34 A CA 0.776 52.709 52.037 -0.172 0.000 0.656 34 A CB -0.660 18.158 19.000 -0.304 0.000 0.800 34 A HN 0.170 nan 8.150 nan 0.000 0.453 35 F N -0.046 119.859 119.950 -0.075 0.000 2.661 35 F HA 0.195 4.723 4.527 0.002 0.000 0.298 35 F C 1.029 176.702 175.800 -0.210 0.000 1.137 35 F CA 0.268 58.108 58.000 -0.267 0.000 1.454 35 F CB -0.277 38.298 39.000 -0.709 0.000 1.103 35 F HN 0.065 nan 8.300 nan 0.000 0.577 36 L N -1.365 119.900 121.223 0.070 0.000 2.569 36 L HA 0.654 4.995 4.340 0.002 0.000 0.247 36 L C 1.216 178.097 176.870 0.018 0.000 1.135 36 L CA -0.174 54.709 54.840 0.071 0.000 0.812 36 L CB 0.035 42.165 42.059 0.117 0.000 1.431 36 L HN 0.272 nan 8.230 nan 0.000 0.499 37 G N 0.246 109.044 108.800 -0.004 0.000 2.512 37 G HA2 -0.273 3.688 3.960 0.002 0.000 0.240 37 G HA3 -0.273 3.688 3.960 0.002 0.000 0.240 37 G C 0.063 174.860 174.900 -0.172 0.000 1.246 37 G CA -0.182 44.865 45.100 -0.088 0.000 0.919 37 G HN 0.616 nan 8.290 nan 0.000 0.577 38 R N 0.572 120.884 120.500 -0.314 0.000 3.782 38 R HA 0.443 4.784 4.340 0.002 0.000 0.291 38 R C 1.539 177.791 176.300 -0.080 0.000 1.539 38 R CA 0.475 56.220 56.100 -0.591 0.000 1.345 38 R CB -0.089 29.709 30.300 -0.838 0.000 1.408 38 R HN 0.329 nan 8.270 nan 0.000 0.654 39 S N -0.536 115.250 115.700 0.143 0.000 2.456 39 S HA 0.081 4.552 4.470 0.002 0.000 0.224 39 S C 0.584 175.470 174.600 0.476 0.000 1.035 39 S CA 0.329 58.678 58.200 0.249 0.000 0.940 39 S CB 0.744 63.992 63.200 0.080 0.000 0.799 39 S HN 0.031 nan 8.310 nan 0.000 0.508 40 V N 2.653 122.857 119.914 0.483 0.000 2.524 40 V HA 0.477 4.598 4.120 0.002 0.000 0.297 40 V C -0.824 175.452 176.094 0.303 0.000 1.035 40 V CA -0.779 61.756 62.300 0.391 0.000 0.867 40 V CB 1.770 33.711 31.823 0.198 0.000 1.004 40 V HN 0.302 nan 8.190 nan 0.000 0.426 41 S N 5.461 121.260 115.700 0.164 0.000 2.501 41 S HA 0.914 5.385 4.470 0.002 0.000 0.301 41 S C -0.898 173.694 174.600 -0.013 0.000 1.096 41 S CA -0.783 57.277 58.200 -0.234 0.000 1.063 41 S CB 2.227 65.072 63.200 -0.591 0.000 1.042 41 S HN 0.347 nan 8.310 nan 0.000 0.494 42 L N 1.596 122.823 121.223 0.005 0.000 2.322 42 L HA 0.600 4.941 4.340 0.002 0.000 0.269 42 L C -0.087 176.909 176.870 0.209 0.000 1.012 42 L CA -0.239 54.722 54.840 0.202 0.000 0.815 42 L CB 1.651 43.853 42.059 0.239 0.000 1.295 42 L HN 0.758 nan 8.230 nan 0.000 0.438 43 Q N 1.550 121.490 119.800 0.233 0.000 2.263 43 Q HA 0.468 4.809 4.340 0.002 0.000 0.266 43 Q C -1.547 174.500 176.000 0.080 0.000 1.002 43 Q CA -0.891 55.028 55.803 0.194 0.000 0.790 43 Q CB 2.719 31.604 28.738 0.246 0.000 1.272 43 Q HN 0.290 nan 8.270 nan 0.000 0.435 44 L N 2.906 124.087 121.223 -0.071 0.000 2.395 44 L HA 0.475 4.816 4.340 0.002 0.000 0.269 44 L C -0.596 176.264 176.870 -0.016 0.000 1.133 44 L CA 0.232 54.900 54.840 -0.286 0.000 0.812 44 L CB 0.928 42.510 42.059 -0.795 0.000 1.125 44 L HN 0.548 nan 8.230 nan 0.000 0.452 45 I N 1.256 121.765 120.570 -0.102 0.000 2.545 45 I HA 0.267 4.438 4.170 0.002 0.000 0.292 45 I C -0.126 176.052 176.117 0.102 0.000 1.040 45 I CA -0.518 60.763 61.300 -0.032 0.000 1.068 45 I CB 2.091 39.824 38.000 -0.446 0.000 1.251 45 I HN 0.495 nan 8.210 nan 0.000 0.424 46 S N 3.374 119.236 115.700 0.271 0.000 2.565 46 S HA 0.477 4.948 4.470 0.002 0.000 0.274 46 S C 0.857 175.557 174.600 0.167 0.000 1.309 46 S CA -0.017 58.361 58.200 0.297 0.000 1.043 46 S CB 1.380 64.757 63.200 0.294 0.000 0.939 46 S HN 0.727 nan 8.310 nan 0.000 0.504 47 A N 3.075 125.984 122.820 0.149 0.000 2.095 47 A HA 0.162 4.484 4.320 0.002 0.000 0.212 47 A C 1.746 179.374 177.584 0.074 0.000 1.162 47 A CA 0.977 53.074 52.037 0.101 0.000 0.753 47 A CB -0.324 18.726 19.000 0.084 0.000 0.840 47 A HN 0.943 nan 8.150 nan 0.000 0.468 48 T N -4.632 109.978 114.554 0.094 0.000 3.043 48 T HA 0.337 4.688 4.350 0.002 0.000 0.272 48 T C 0.237 174.973 174.700 0.059 0.000 0.990 48 T CA -0.220 61.917 62.100 0.062 0.000 0.897 48 T CB 0.321 69.225 68.868 0.060 0.000 1.111 48 T HN -0.000 nan 8.240 nan 0.000 0.529 49 K N 1.516 121.960 120.400 0.075 0.000 2.541 49 K HA 0.785 5.106 4.320 0.002 0.000 0.250 49 K C -1.136 175.498 176.600 0.055 0.000 0.950 49 K CA -0.311 56.003 56.287 0.045 0.000 0.805 49 K CB 2.330 34.841 32.500 0.018 0.000 1.166 49 K HN 0.320 nan 8.250 nan 0.000 0.430 50 A N 2.523 125.368 122.820 0.042 0.000 2.294 50 A HA 0.516 4.837 4.320 0.002 0.000 0.330 50 A C -0.190 177.412 177.584 0.029 0.000 1.133 50 A CA -0.565 51.503 52.037 0.052 0.000 0.836 50 A CB 0.552 19.581 19.000 0.047 0.000 1.190 50 A HN 0.760 nan 8.150 nan 0.000 0.492 51 D N 0.101 120.521 120.400 0.032 0.000 2.451 51 D HA 0.371 5.012 4.640 0.002 0.000 0.259 51 D C 0.866 177.164 176.300 -0.003 0.000 1.201 51 D CA 0.084 54.081 54.000 -0.005 0.000 1.028 51 D CB 0.872 41.660 40.800 -0.020 0.000 1.095 51 D HN 0.470 nan 8.370 nan 0.000 0.539 52 A N -0.562 122.231 122.820 -0.045 0.000 2.276 52 A HA -0.122 4.199 4.320 0.002 0.000 0.205 52 A C 0.484 178.172 177.584 0.173 0.000 1.234 52 A CA 0.742 52.786 52.037 0.011 0.000 0.797 52 A CB -0.870 18.112 19.000 -0.030 0.000 0.769 52 A HN 0.528 nan 8.150 nan 0.000 0.491 53 H N -2.329 116.742 119.070 0.002 0.000 2.916 53 H HA 0.335 4.892 4.556 0.002 0.000 0.262 53 H C 1.551 176.869 175.328 -0.016 0.000 1.178 53 H CA -0.174 55.870 56.048 -0.007 0.000 1.090 53 H CB 0.295 30.051 29.762 -0.009 0.000 1.657 53 H HN 0.490 nan 8.280 nan 0.000 0.601 54 G N 0.734 109.593 108.800 0.099 0.000 2.253 54 G HA2 -0.292 3.669 3.960 0.002 0.000 0.251 54 G HA3 -0.292 3.669 3.960 0.002 0.000 0.251 54 G C 0.538 175.456 174.900 0.030 0.000 0.998 54 G CA 0.075 45.203 45.100 0.047 0.000 0.621 54 G HN 0.330 nan 8.290 nan 0.000 0.524 55 K N 1.065 121.478 120.400 0.022 0.000 2.168 55 K HA 0.479 4.800 4.320 0.002 0.000 0.258 55 K C 1.138 177.827 176.600 0.149 0.000 1.010 55 K CA -0.010 56.270 56.287 -0.012 0.000 0.929 55 K CB 0.650 33.076 32.500 -0.123 0.000 0.998 55 K HN 0.314 nan 8.250 nan 0.000 0.479 56 G N 1.866 110.875 108.800 0.347 0.000 2.432 56 G HA2 -0.020 3.941 3.960 0.002 0.000 0.239 56 G HA3 -0.020 3.941 3.960 0.002 0.000 0.239 56 G C -0.406 174.646 174.900 0.252 0.000 1.291 56 G CA -0.389 44.888 45.100 0.295 0.000 0.863 56 G HN 0.450 nan 8.290 nan 0.000 0.560 57 K N 0.464 120.955 120.400 0.153 0.000 2.448 57 K HA 0.182 4.503 4.320 0.002 0.000 0.278 57 K C -0.078 176.615 176.600 0.155 0.000 1.009 57 K CA -0.156 56.194 56.287 0.103 0.000 0.995 57 K CB 1.206 33.700 32.500 -0.009 0.000 0.917 57 K HN 0.168 nan 8.250 nan 0.000 0.481 58 V N 2.201 122.209 119.914 0.156 0.000 2.532 58 V HA 0.335 4.456 4.120 0.002 0.000 0.295 58 V C 0.828 177.031 176.094 0.182 0.000 1.041 58 V CA -0.706 61.717 62.300 0.205 0.000 0.926 58 V CB 1.613 33.589 31.823 0.255 0.000 0.992 58 V HN 0.957 nan 8.190 nan 0.000 0.457 59 G N 2.757 111.724 108.800 0.278 0.000 2.531 59 G HA2 0.459 4.420 3.960 0.002 0.000 0.313 59 G HA3 0.459 4.420 3.960 0.002 0.000 0.313 59 G C -0.394 174.633 174.900 0.212 0.000 1.238 59 G CA -0.878 44.387 45.100 0.274 0.000 0.994 59 G HN 0.659 nan 8.290 nan 0.000 0.493 60 K N 0.074 120.594 120.400 0.199 0.000 2.276 60 K HA 0.131 4.452 4.320 0.002 0.000 0.259 60 K C -0.781 175.906 176.600 0.144 0.000 1.001 60 K CA -0.186 56.194 56.287 0.156 0.000 0.927 60 K CB 0.401 32.990 32.500 0.148 0.000 0.969 60 K HN 0.414 nan 8.250 nan 0.000 0.490 61 D N 1.582 122.031 120.400 0.081 0.000 2.401 61 D HA 0.058 4.699 4.640 0.002 0.000 0.254 61 D C -0.575 175.643 176.300 -0.138 0.000 1.192 61 D CA 0.257 54.219 54.000 -0.064 0.000 0.885 61 D CB 0.528 41.247 40.800 -0.136 0.000 1.147 61 D HN 0.222 nan 8.370 nan 0.000 0.478 62 T N 2.050 116.481 114.554 -0.205 0.000 2.829 62 T HA 0.499 4.851 4.350 0.002 0.000 0.280 62 T C -0.257 174.208 174.700 -0.391 0.000 0.999 62 T CA -0.575 61.423 62.100 -0.170 0.000 0.983 62 T CB 0.510 69.328 68.868 -0.084 0.000 0.968 62 T HN 0.104 nan 8.240 nan 0.000 0.446 63 F N 1.084 121.024 119.950 -0.017 0.000 2.509 63 F HA 0.577 5.105 4.527 0.002 0.000 0.334 63 F C 0.135 175.891 175.800 -0.074 0.000 1.060 63 F CA -1.460 56.535 58.000 -0.009 0.000 0.997 63 F CB 0.579 39.586 39.000 0.012 0.000 1.271 63 F HN 0.209 nan 8.300 nan 0.000 0.488 64 L N 1.630 122.934 121.223 0.135 0.000 2.462 64 L HA 0.081 4.422 4.340 0.002 0.000 0.272 64 L C 0.944 177.861 176.870 0.078 0.000 1.166 64 L CA 0.622 55.475 54.840 0.021 0.000 0.880 64 L CB 0.245 42.251 42.059 -0.089 0.000 1.142 64 L HN 0.662 nan 8.230 nan 0.000 0.473 65 E N 1.848 122.082 120.200 0.056 0.000 2.038 65 E HA 0.258 4.609 4.350 0.002 0.000 0.190 65 E C 0.421 177.084 176.600 0.105 0.000 0.967 65 E CA 0.745 57.187 56.400 0.070 0.000 0.816 65 E CB 0.163 29.888 29.700 0.042 0.000 0.784 65 E HN 0.773 nan 8.360 nan 0.000 0.456 66 G N -0.370 108.506 108.800 0.127 0.000 2.704 66 G HA2 0.482 4.443 3.960 0.002 0.000 0.293 66 G HA3 0.482 4.443 3.960 0.002 0.000 0.293 66 G C -1.054 173.899 174.900 0.089 0.000 1.421 66 G CA -0.891 44.279 45.100 0.116 0.000 0.870 66 G HN 0.029 nan 8.290 nan 0.000 0.492 67 I N 1.283 121.847 120.570 -0.010 0.000 2.692 67 I HA 0.170 4.341 4.170 0.002 0.000 0.284 67 I C 0.732 176.695 176.117 -0.256 0.000 1.159 67 I CA -0.090 61.012 61.300 -0.329 0.000 1.423 67 I CB 0.992 38.846 38.000 -0.243 0.000 1.380 67 I HN 0.604 nan 8.210 nan 0.000 0.580 75 G N -0.037 108.769 108.800 0.011 0.000 2.651 75 G HA2 0.543 4.505 3.960 0.002 0.000 0.260 75 G HA3 0.543 4.505 3.960 0.002 0.000 0.260 75 G C 0.106 175.013 174.900 0.013 0.000 1.216 75 G CA -0.121 44.989 45.100 0.017 0.000 0.913 75 G HN 1.116 nan 8.290 nan 0.000 0.535 76 A N -0.957 121.874 122.820 0.018 0.000 2.488 76 A HA 0.528 4.849 4.320 0.002 0.000 0.249 76 A C 1.600 179.197 177.584 0.023 0.000 1.083 76 A CA 1.152 53.201 52.037 0.019 0.000 0.768 76 A CB -0.337 18.677 19.000 0.024 0.000 1.017 76 A HN 2.546 nan 8.150 nan 0.000 0.496 77 G N 1.791 110.603 108.800 0.021 0.000 2.253 77 G HA2 -0.224 3.737 3.960 0.002 0.000 0.251 77 G HA3 -0.224 3.737 3.960 0.002 0.000 0.251 77 G C 0.142 175.055 174.900 0.023 0.000 0.998 77 G CA 0.553 45.671 45.100 0.030 0.000 0.621 77 G HN 0.860 nan 8.290 nan 0.000 0.524 78 E N 0.357 120.563 120.200 0.010 0.000 2.374 78 E HA 0.586 4.937 4.350 0.002 0.000 0.260 78 E C -0.247 176.325 176.600 -0.048 0.000 1.101 78 E CA 0.302 56.700 56.400 -0.004 0.000 0.907 78 E CB 1.415 31.116 29.700 0.002 0.000 1.014 78 E HN 0.127 nan 8.360 nan 0.000 0.427 79 S N 0.086 115.737 115.700 -0.082 0.000 2.575 79 S HA 0.566 5.037 4.470 0.002 0.000 0.278 79 S C -1.345 173.099 174.600 -0.261 0.000 1.139 79 S CA -0.582 57.498 58.200 -0.199 0.000 0.954 79 S CB 1.239 64.337 63.200 -0.171 0.000 1.054 79 S HN 0.564 nan 8.310 nan 0.000 0.483 80 A N 3.422 126.017 122.820 -0.375 0.000 2.303 80 A HA 0.912 5.233 4.320 0.002 0.000 0.317 80 A C -1.276 175.968 177.584 -0.565 0.000 1.149 80 A CA -0.312 51.552 52.037 -0.288 0.000 0.822 80 A CB 0.330 19.216 19.000 -0.189 0.000 1.131 80 A HN 0.676 nan 8.150 nan 0.000 0.493 81 F N 0.906 120.764 119.950 -0.152 0.000 2.578 81 F HA 0.365 4.893 4.527 0.002 0.000 0.311 81 F C 0.073 175.777 175.800 -0.161 0.000 1.094 81 F CA -0.745 57.168 58.000 -0.145 0.000 0.923 81 F CB 2.205 41.106 39.000 -0.165 0.000 1.230 81 F HN 0.504 nan 8.300 nan 0.000 0.450 82 N N 2.875 121.580 118.700 0.008 0.000 2.487 82 N HA 0.643 5.384 4.740 0.002 0.000 0.292 82 N C -1.261 174.131 175.510 -0.197 0.000 1.108 82 N CA -0.344 52.627 53.050 -0.133 0.000 0.956 82 N CB 2.628 41.027 38.487 -0.146 0.000 1.176 82 N HN 0.686 nan 8.380 nan 0.000 0.484 83 I N 0.343 120.676 120.570 -0.396 0.000 2.827 83 I HA 0.307 4.478 4.170 0.002 0.000 0.298 83 I C -1.470 174.191 176.117 -0.760 0.000 1.235 83 I CA -0.673 60.316 61.300 -0.518 0.000 1.021 83 I CB 2.050 39.709 38.000 -0.569 0.000 1.259 83 I HN 0.526 nan 8.210 nan 0.000 0.427 84 H N 5.750 124.554 119.070 -0.443 0.000 2.744 84 H HA 0.500 5.057 4.556 0.002 0.000 0.339 84 H C -1.539 173.591 175.328 -0.330 0.000 1.004 84 H CA -0.251 55.630 56.048 -0.279 0.000 1.257 84 H CB 1.557 31.256 29.762 -0.105 0.000 1.552 84 H HN 0.288 nan 8.280 nan 0.000 0.522 85 F N 1.221 121.233 119.950 0.104 0.000 2.443 85 F HA 0.270 4.798 4.527 0.002 0.000 0.335 85 F C 0.593 176.493 175.800 0.166 0.000 1.104 85 F CA -0.874 57.184 58.000 0.096 0.000 1.013 85 F CB 1.244 40.255 39.000 0.019 0.000 1.136 85 F HN 0.423 nan 8.300 nan 0.000 0.470 86 E N 3.123 123.536 120.200 0.355 0.000 2.316 86 E HA 0.056 4.407 4.350 0.002 0.000 0.275 86 E C -1.076 175.780 176.600 0.425 0.000 1.029 86 E CA -0.087 56.488 56.400 0.291 0.000 0.871 86 E CB 1.203 31.018 29.700 0.193 0.000 1.022 86 E HN 0.549 nan 8.360 nan 0.000 0.418 87 W N 3.697 125.055 121.300 0.098 0.000 3.259 87 W HA 0.175 4.836 4.660 0.002 0.000 0.331 87 W C -1.477 175.072 176.519 0.050 0.000 1.144 87 W CA -0.571 56.814 57.345 0.068 0.000 1.227 87 W CB 1.738 31.235 29.460 0.061 0.000 1.371 87 W HN 0.533 nan 8.180 nan 0.000 0.491 88 D N 1.160 121.441 120.400 -0.198 0.000 2.340 88 D HA 0.346 4.987 4.640 0.002 0.000 0.243 88 D C 1.248 177.451 176.300 -0.162 0.000 0.988 88 D CA -0.121 53.809 54.000 -0.116 0.000 0.959 88 D CB 2.405 43.126 40.800 -0.131 0.000 1.226 88 D HN 0.598 nan 8.370 nan 0.000 0.509 89 G N 0.175 108.945 108.800 -0.049 0.000 2.470 89 G HA2 -0.227 3.734 3.960 0.002 0.000 0.220 89 G HA3 -0.227 3.734 3.960 0.002 0.000 0.220 89 G C 1.367 176.222 174.900 -0.075 0.000 1.121 89 G CA 1.203 46.289 45.100 -0.022 0.000 0.766 89 G HN 0.481 nan 8.290 nan 0.000 0.553 90 S N 0.337 115.960 115.700 -0.127 0.000 2.419 90 S HA -0.004 4.467 4.470 0.002 0.000 0.233 90 S C 2.116 176.595 174.600 -0.201 0.000 1.016 90 S CA 0.970 59.088 58.200 -0.137 0.000 0.974 90 S CB -0.146 62.973 63.200 -0.135 0.000 0.786 90 S HN 0.209 nan 8.310 nan 0.000 0.492 91 M N 1.242 120.614 119.600 -0.379 0.000 2.514 91 M HA 0.260 4.741 4.480 0.002 0.000 0.258 91 M C 1.646 177.861 176.300 -0.142 0.000 1.119 91 M CA 0.815 55.781 55.300 -0.557 0.000 1.111 91 M CB -1.426 30.203 32.600 -1.618 0.000 1.390 91 M HN 0.566 nan 8.290 nan 0.000 0.475 92 G N 1.687 110.509 108.800 0.036 0.000 2.512 92 G HA2 -0.245 3.716 3.960 0.002 0.000 0.240 92 G HA3 -0.245 3.716 3.960 0.002 0.000 0.240 92 G C -0.317 174.832 174.900 0.415 0.000 1.246 92 G CA -0.618 44.598 45.100 0.193 0.000 0.919 92 G HN 0.360 nan 8.290 nan 0.000 0.577 93 I N 2.459 123.203 120.570 0.289 0.000 2.377 93 I HA 0.386 4.557 4.170 0.002 0.000 0.293 93 I C -2.172 174.045 176.117 0.167 0.000 0.987 93 I CA -2.106 59.317 61.300 0.204 0.000 1.185 93 I CB 2.270 40.327 38.000 0.096 0.000 1.341 93 I HN 0.185 nan 8.210 nan 0.000 0.455 94 P HA 0.126 nan 4.420 nan 0.000 0.271 94 P C 0.479 177.815 177.300 0.061 0.000 1.216 94 P CA 0.041 63.069 63.100 -0.120 0.000 0.771 94 P CB 0.857 32.263 31.700 -0.490 0.000 0.864 95 G N 1.032 109.905 108.800 0.121 0.000 3.215 95 G HA2 0.538 4.499 3.960 0.002 0.000 0.236 95 G HA3 0.538 4.499 3.960 0.002 0.000 0.236 95 G C -0.035 175.035 174.900 0.283 0.000 1.029 95 G CA 0.418 45.626 45.100 0.179 0.000 0.909 95 G HN 0.759 nan 8.290 nan 0.000 0.543 96 A N -0.272 122.690 122.820 0.237 0.000 2.581 96 A HA 0.853 5.174 4.320 0.002 0.000 0.290 96 A C -1.737 175.795 177.584 -0.085 0.000 1.119 96 A CA -0.752 51.298 52.037 0.022 0.000 0.670 96 A CB 1.047 19.694 19.000 -0.587 0.000 1.280 96 A HN 1.162 nan 8.150 nan 0.000 0.425 97 F N -2.088 117.573 119.950 -0.480 0.000 2.678 97 F HA 0.796 5.324 4.527 0.002 0.000 0.308 97 F C -1.920 173.647 175.800 -0.388 0.000 1.118 97 F CA -1.249 56.464 58.000 -0.478 0.000 0.959 97 F CB 0.588 39.275 39.000 -0.523 0.000 1.305 97 F HN 0.514 nan 8.300 nan 0.000 0.443 98 Y N 2.911 123.135 120.300 -0.128 0.000 2.376 98 Y HA 0.721 5.272 4.550 0.002 0.000 0.325 98 Y C -0.097 175.835 175.900 0.053 0.000 1.199 98 Y CA -1.335 56.674 58.100 -0.151 0.000 1.206 98 Y CB 1.687 40.093 38.460 -0.090 0.000 1.229 98 Y HN 0.820 nan 8.280 nan 0.000 0.480 99 I N 2.224 122.920 120.570 0.209 0.000 2.656 99 I HA 0.430 4.601 4.170 0.002 0.000 0.292 99 I C -1.637 174.547 176.117 0.112 0.000 1.144 99 I CA -0.824 60.621 61.300 0.242 0.000 1.038 99 I CB 1.576 39.806 38.000 0.384 0.000 1.244 99 I HN 0.553 nan 8.210 nan 0.000 0.420 100 K N 4.935 125.364 120.400 0.047 0.000 2.413 100 K HA 0.343 4.665 4.320 0.002 0.000 0.257 100 K C -1.007 175.493 176.600 -0.166 0.000 0.946 100 K CA -0.738 55.461 56.287 -0.147 0.000 0.823 100 K CB 1.386 33.684 32.500 -0.338 0.000 1.109 100 K HN 0.423 nan 8.250 nan 0.000 0.427 101 N N 2.795 121.437 118.700 -0.096 0.000 2.457 101 N HA 0.121 4.863 4.740 0.002 0.000 0.250 101 N C -0.560 174.919 175.510 -0.052 0.000 0.982 101 N CA -0.136 52.970 53.050 0.094 0.000 0.941 101 N CB 0.503 39.091 38.487 0.168 0.000 1.120 101 N HN 0.488 nan 8.380 nan 0.000 0.505 102 Y N 1.903 122.318 120.300 0.190 0.000 2.482 102 Y HA 0.288 4.839 4.550 0.002 0.000 0.270 102 Y C 0.926 176.876 175.900 0.083 0.000 1.152 102 Y CA -0.017 58.158 58.100 0.126 0.000 1.292 102 Y CB 0.097 38.636 38.460 0.132 0.000 1.070 102 Y HN 0.367 nan 8.280 nan 0.000 0.528 103 M N 0.204 119.938 119.600 0.223 0.000 2.226 103 M HA -0.013 4.468 4.480 0.002 0.000 0.324 103 M C 1.530 177.880 176.300 0.083 0.000 1.112 103 M CA 0.526 55.895 55.300 0.113 0.000 1.176 103 M CB 0.609 33.252 32.600 0.071 0.000 1.430 103 M HN 0.141 nan 8.290 nan 0.000 0.462 104 Q N 0.588 120.412 119.800 0.040 0.000 2.378 104 Q HA 0.082 4.423 4.340 0.002 0.000 0.205 104 Q C -0.628 175.378 176.000 0.011 0.000 0.954 104 Q CA 0.512 56.328 55.803 0.021 0.000 0.901 104 Q CB 0.523 29.267 28.738 0.010 0.000 0.981 104 Q HN 0.512 nan 8.270 nan 0.000 0.483 105 V N 1.071 120.998 119.914 0.023 0.000 2.914 105 V HA 0.149 4.270 4.120 0.002 0.000 0.314 105 V C -0.745 175.376 176.094 0.046 0.000 1.084 105 V CA -0.837 61.472 62.300 0.015 0.000 0.963 105 V CB 2.245 34.092 31.823 0.040 0.000 1.025 105 V HN 0.168 nan 8.190 nan 0.000 0.432 106 E N 3.267 123.421 120.200 -0.076 0.000 2.371 106 E HA 0.615 4.966 4.350 0.002 0.000 0.257 106 E C -0.810 175.981 176.600 0.319 0.000 1.134 106 E CA -0.145 56.187 56.400 -0.114 0.000 0.919 106 E CB 0.607 29.989 29.700 -0.529 0.000 1.025 106 E HN 0.515 nan 8.360 nan 0.000 0.438 107 F N -1.509 118.637 119.950 0.327 0.000 2.662 107 F HA 0.571 5.099 4.527 0.002 0.000 0.312 107 F C -1.467 174.377 175.800 0.074 0.000 1.113 107 F CA -1.757 56.413 58.000 0.283 0.000 0.951 107 F CB 0.928 40.088 39.000 0.267 0.000 1.344 107 F HN 0.351 nan 8.300 nan 0.000 0.462 108 F N 3.724 123.553 119.950 -0.203 0.000 2.334 108 F HA 0.599 5.127 4.527 0.002 0.000 0.367 108 F C -0.840 174.888 175.800 -0.120 0.000 1.115 108 F CA -1.182 56.437 58.000 -0.635 0.000 1.116 108 F CB 0.965 39.274 39.000 -1.152 0.000 1.230 108 F HN 0.627 nan 8.300 nan 0.000 0.484 109 L N 7.760 128.734 121.223 -0.415 0.000 2.361 109 L HA 0.273 4.614 4.340 0.002 0.000 0.278 109 L C 0.762 177.240 176.870 -0.653 0.000 1.113 109 L CA 0.434 55.102 54.840 -0.287 0.000 0.849 109 L CB 0.557 42.495 42.059 -0.202 0.000 1.155 109 L HN 0.686 nan 8.230 nan 0.000 0.452 110 K N 2.195 122.370 120.400 -0.374 0.000 2.078 110 K HA 0.202 4.524 4.320 0.002 0.000 0.203 110 K C 0.163 176.667 176.600 -0.160 0.000 1.043 110 K CA 0.984 57.111 56.287 -0.266 0.000 0.960 110 K CB 0.249 32.718 32.500 -0.051 0.000 0.761 110 K HN 0.825 nan 8.250 nan 0.000 0.448 111 S N -0.402 115.238 115.700 -0.100 0.000 2.611 111 S HA 0.517 4.988 4.470 0.002 0.000 0.268 111 S C -1.751 172.822 174.600 -0.044 0.000 1.156 111 S CA -1.147 57.039 58.200 -0.024 0.000 0.817 111 S CB 1.501 64.721 63.200 0.033 0.000 1.122 111 S HN 0.069 nan 8.310 nan 0.000 0.466 112 L N 0.651 121.872 121.223 -0.003 0.000 2.436 112 L HA 0.849 5.190 4.340 0.002 0.000 0.268 112 L C -1.243 175.666 176.870 0.065 0.000 0.974 112 L CA 0.197 54.966 54.840 -0.117 0.000 0.826 112 L CB 2.192 43.921 42.059 -0.550 0.000 1.291 112 L HN 0.957 nan 8.230 nan 0.000 0.406 113 T N 5.426 119.987 114.554 0.011 0.000 2.824 113 T HA 0.660 5.011 4.350 0.002 0.000 0.282 113 T C -1.087 173.624 174.700 0.019 0.000 0.993 113 T CA -0.352 61.770 62.100 0.038 0.000 0.967 113 T CB 1.423 70.285 68.868 -0.009 0.000 0.960 113 T HN 0.350 nan 8.240 nan 0.000 0.441 114 L N 3.290 124.544 121.223 0.050 0.000 2.313 114 L HA 0.411 4.752 4.340 0.002 0.000 0.283 114 L C 0.738 177.612 176.870 0.007 0.000 1.013 114 L CA -0.437 54.420 54.840 0.029 0.000 0.816 114 L CB 1.515 43.596 42.059 0.037 0.000 1.236 114 L HN 0.555 nan 8.230 nan 0.000 0.419 115 E N 3.174 123.381 120.200 0.012 0.000 2.424 115 E HA 0.252 4.603 4.350 0.002 0.000 0.237 115 E C 0.211 176.818 176.600 0.012 0.000 1.381 115 E CA -0.071 56.334 56.400 0.009 0.000 1.587 115 E CB -0.013 29.700 29.700 0.021 0.000 1.398 115 E HN 0.567 nan 8.360 nan 0.000 0.439 116 A N 0.628 123.448 122.820 -0.001 0.000 2.298 116 A HA 0.608 4.929 4.320 0.002 0.000 0.302 116 A C 0.372 177.957 177.584 0.001 0.000 1.177 116 A CA -0.504 51.533 52.037 -0.000 0.000 0.912 116 A CB 0.672 19.651 19.000 -0.036 0.000 1.331 116 A HN 0.130 nan 8.150 nan 0.000 0.504 123 I N 3.087 123.613 120.570 -0.074 0.000 2.436 123 I HA 0.580 4.751 4.170 0.002 0.000 0.289 123 I C 0.016 176.036 176.117 -0.163 0.000 1.010 123 I CA -0.776 60.436 61.300 -0.147 0.000 1.098 123 I CB 1.991 39.918 38.000 -0.122 0.000 1.266 123 I HN 0.355 nan 8.210 nan 0.000 0.434 124 R N 5.462 125.775 120.500 -0.311 0.000 2.494 124 R HA 0.614 4.955 4.340 0.002 0.000 0.305 124 R C -1.622 174.483 176.300 -0.326 0.000 0.959 124 R CA -0.682 55.301 56.100 -0.195 0.000 0.864 124 R CB 1.798 31.979 30.300 -0.198 0.000 1.159 124 R HN 0.328 nan 8.270 nan 0.000 0.446 125 F N 1.836 121.773 119.950 -0.022 0.000 2.403 125 F HA 0.298 4.826 4.527 0.002 0.000 0.355 125 F C 0.052 175.887 175.800 0.058 0.000 1.119 125 F CA -1.011 57.034 58.000 0.075 0.000 1.007 125 F CB 1.678 40.816 39.000 0.229 0.000 1.194 125 F HN 0.073 nan 8.300 nan 0.000 0.443 126 V N 3.525 123.559 119.914 0.199 0.000 2.318 126 V HA 0.112 4.233 4.120 0.002 0.000 0.271 126 V C 0.220 176.396 176.094 0.138 0.000 1.030 126 V CA -0.273 62.114 62.300 0.146 0.000 0.844 126 V CB 0.407 32.320 31.823 0.150 0.000 1.015 126 V HN 1.075 nan 8.190 nan 0.000 0.460 127 C N 2.325 121.631 119.300 0.010 0.000 2.611 127 C HA 0.116 4.577 4.460 0.002 0.000 0.283 127 C C 1.288 176.207 174.990 -0.119 0.000 1.340 127 C CA -0.359 58.577 59.018 -0.137 0.000 1.716 127 C CB -0.674 26.686 27.740 -0.634 0.000 2.134 127 C HN 0.935 nan 8.230 nan 0.000 0.526 128 N N 1.561 120.082 118.700 -0.299 0.000 2.667 128 N HA -0.157 4.584 4.740 0.002 0.000 0.263 128 N C -0.497 174.771 175.510 -0.403 0.000 1.038 128 N CA 1.250 54.053 53.050 -0.413 0.000 0.749 128 N CB -0.830 37.709 38.487 0.086 0.000 0.892 128 N HN 0.650 nan 8.380 nan 0.000 0.546 129 S N -0.617 114.631 115.700 -0.752 0.000 2.536 129 S HA 0.545 5.016 4.470 0.002 0.000 0.271 129 S C -1.040 173.417 174.600 -0.238 0.000 1.134 129 S CA -0.808 57.292 58.200 -0.167 0.000 0.897 129 S CB 0.759 64.093 63.200 0.224 0.000 1.094 129 S HN 0.301 nan 8.310 nan 0.000 0.473 130 W N 3.274 124.720 121.300 0.243 0.000 2.266 130 W HA 0.478 5.139 4.660 0.002 0.000 0.317 130 W C 0.252 176.897 176.519 0.211 0.000 1.310 130 W CA -0.257 57.247 57.345 0.266 0.000 1.207 130 W CB 1.132 30.845 29.460 0.421 0.000 1.199 130 W HN 0.463 nan 8.180 nan 0.000 0.544 131 V N 4.554 124.551 119.914 0.139 0.000 2.443 131 V HA 0.467 4.588 4.120 0.002 0.000 0.293 131 V C -1.021 175.134 176.094 0.101 0.000 1.021 131 V CA -1.193 61.224 62.300 0.195 0.000 0.848 131 V CB 0.311 32.105 31.823 -0.047 0.000 0.998 131 V HN 0.467 nan 8.190 nan 0.000 0.424 132 Y N 3.243 123.653 120.300 0.184 0.000 2.282 132 Y HA 0.353 4.904 4.550 0.002 0.000 0.335 132 Y C 1.317 177.148 175.900 -0.115 0.000 1.335 132 Y CA -0.266 57.796 58.100 -0.063 0.000 1.529 132 Y CB 0.417 38.701 38.460 -0.292 0.000 1.429 132 Y HN 0.814 nan 8.280 nan 0.000 0.563 133 N N 0.475 119.166 118.700 -0.015 0.000 2.356 133 N HA -0.107 4.634 4.740 0.002 0.000 0.252 133 N C 0.645 176.094 175.510 -0.102 0.000 1.241 133 N CA 0.798 53.823 53.050 -0.042 0.000 0.861 133 N CB 0.902 39.360 38.487 -0.048 0.000 1.075 133 N HN 0.756 nan 8.380 nan 0.000 0.461 134 T N 4.115 118.646 114.554 -0.040 0.000 2.653 134 T HA -0.234 4.117 4.350 0.002 0.000 0.267 134 T C 1.423 176.107 174.700 -0.028 0.000 1.037 134 T CA 1.613 63.714 62.100 0.002 0.000 1.159 134 T CB -0.115 68.677 68.868 -0.128 0.000 0.859 134 T HN 0.624 nan 8.240 nan 0.000 0.449 135 K N 0.752 121.109 120.400 -0.070 0.000 2.515 135 K HA 0.123 4.444 4.320 0.002 0.000 0.196 135 K C 1.665 178.165 176.600 -0.168 0.000 1.038 135 K CA 0.507 56.749 56.287 -0.076 0.000 0.967 135 K CB -0.237 32.231 32.500 -0.052 0.000 0.780 135 K HN 0.387 nan 8.250 nan 0.000 0.483 136 L N 0.250 121.267 121.223 -0.343 0.000 2.592 136 L HA 0.090 4.431 4.340 0.002 0.000 0.227 136 L C -0.278 176.316 176.870 -0.460 0.000 1.127 136 L CA -0.061 54.416 54.840 -0.605 0.000 0.884 136 L CB 0.157 41.570 42.059 -1.077 0.000 1.065 136 L HN 0.050 nan 8.230 nan 0.000 0.457 137 Y N -0.753 119.498 120.300 -0.082 0.000 2.429 137 Y HA 0.293 4.844 4.550 0.002 0.000 0.342 137 Y C 1.023 176.915 175.900 -0.014 0.000 1.004 137 Y CA -1.267 56.821 58.100 -0.019 0.000 1.075 137 Y CB 1.262 39.712 38.460 -0.018 0.000 1.214 137 Y HN -0.252 nan 8.280 nan 0.000 0.455 138 K N 0.610 121.117 120.400 0.179 0.000 2.116 138 K HA 0.125 4.446 4.320 0.002 0.000 0.203 138 K C -0.001 176.637 176.600 0.063 0.000 1.052 138 K CA 0.554 56.895 56.287 0.090 0.000 0.952 138 K CB -0.020 32.521 32.500 0.068 0.000 0.729 138 K HN 0.518 nan 8.250 nan 0.000 0.446 139 S N 0.559 116.291 115.700 0.055 0.000 2.537 139 S HA 0.278 4.749 4.470 0.002 0.000 0.301 139 S C -0.470 174.093 174.600 -0.061 0.000 1.092 139 S CA -0.935 57.263 58.200 -0.003 0.000 1.048 139 S CB 2.720 65.919 63.200 -0.002 0.000 1.053 139 S HN 0.018 nan 8.310 nan 0.000 0.501 140 V N 3.418 123.270 119.914 -0.103 0.000 2.637 140 V HA 0.283 4.404 4.120 0.002 0.000 0.296 140 V C 0.138 176.148 176.094 -0.142 0.000 1.046 140 V CA -0.395 61.812 62.300 -0.154 0.000 1.066 140 V CB 0.394 32.045 31.823 -0.287 0.000 0.968 140 V HN 0.743 nan 8.190 nan 0.000 0.483 141 R N 5.705 126.057 120.500 -0.247 0.000 2.570 141 R HA 0.337 4.678 4.340 0.002 0.000 0.277 141 R C -0.256 175.816 176.300 -0.381 0.000 1.039 141 R CA 0.148 56.007 56.100 -0.402 0.000 1.065 141 R CB 0.475 30.515 30.300 -0.434 0.000 0.964 141 R HN 0.830 nan 8.270 nan 0.000 0.428 142 I N 2.965 123.128 120.570 -0.679 0.000 2.608 142 I HA 0.456 4.627 4.170 0.002 0.000 0.295 142 I C -1.299 174.053 176.117 -1.275 0.000 1.049 142 I CA -0.866 59.925 61.300 -0.850 0.000 1.063 142 I CB 1.219 38.798 38.000 -0.702 0.000 1.248 142 I HN 0.319 nan 8.210 nan 0.000 0.424 143 F N 5.768 125.183 119.950 -0.891 0.000 2.577 143 F HA 0.591 5.119 4.527 0.002 0.000 0.318 143 F C -0.738 174.775 175.800 -0.478 0.000 1.065 143 F CA -0.486 57.160 58.000 -0.589 0.000 0.929 143 F CB 1.788 40.351 39.000 -0.729 0.000 1.237 143 F HN 0.159 nan 8.300 nan 0.000 0.468 144 F N 0.635 120.707 119.950 0.203 0.000 2.575 144 F HA 0.777 5.305 4.527 0.002 0.000 0.330 144 F C 0.384 176.321 175.800 0.229 0.000 1.056 144 F CA -1.221 56.904 58.000 0.210 0.000 0.964 144 F CB 1.082 40.125 39.000 0.070 0.000 1.258 144 F HN 0.553 nan 8.300 nan 0.000 0.484 145 A N 0.797 123.658 122.820 0.068 0.000 2.313 145 A HA 0.257 4.579 4.320 0.002 0.000 0.261 145 A C 0.575 177.974 177.584 -0.309 0.000 1.090 145 A CA -0.539 51.149 52.037 -0.582 0.000 0.807 145 A CB -0.027 18.466 19.000 -0.846 0.000 1.055 145 A HN 0.812 nan 8.150 nan 0.000 0.492 146 N N 1.015 119.439 118.700 -0.460 0.000 2.530 146 N HA -0.046 4.695 4.740 0.002 0.000 0.216 146 N C -0.292 174.979 175.510 -0.398 0.000 1.315 146 N CA 0.208 53.069 53.050 -0.314 0.000 0.858 146 N CB -0.592 37.752 38.487 -0.238 0.000 1.138 146 N HN 0.554 nan 8.380 nan 0.000 0.473 147 H N -0.145 118.819 119.070 -0.177 0.000 2.487 147 H HA 0.293 4.850 4.556 0.002 0.000 0.333 147 H C -0.042 175.013 175.328 -0.455 0.000 1.114 147 H CA -0.133 55.711 56.048 -0.340 0.000 1.310 147 H CB 1.224 30.790 29.762 -0.326 0.000 1.462 147 H HN 0.024 nan 8.280 nan 0.000 0.516 148 T N 3.764 118.040 114.554 -0.464 0.000 2.795 148 T HA 0.417 4.768 4.350 0.002 0.000 0.282 148 T C -0.750 173.568 174.700 -0.638 0.000 0.980 148 T CA -0.426 61.412 62.100 -0.437 0.000 1.012 148 T CB 0.184 68.838 68.868 -0.357 0.000 0.936 148 T HN 0.342 nan 8.240 nan 0.000 0.457 149 Y N 1.142 121.336 120.300 -0.176 0.000 2.401 149 Y HA 0.427 4.978 4.550 0.002 0.000 0.330 149 Y C 0.195 175.978 175.900 -0.196 0.000 1.071 149 Y CA -1.442 56.568 58.100 -0.149 0.000 1.049 149 Y CB 1.083 39.484 38.460 -0.098 0.000 1.239 149 Y HN 0.558 nan 8.280 nan 0.000 0.437 150 V N 1.139 121.011 119.914 -0.070 0.000 3.185 150 V HA 0.259 4.380 4.120 0.002 0.000 0.305 150 V C -2.072 174.072 176.094 0.082 0.000 1.090 150 V CA -1.434 60.835 62.300 -0.052 0.000 1.107 150 V CB 0.857 32.609 31.823 -0.119 0.000 1.061 150 V HN 0.570 nan 8.190 nan 0.000 0.480 151 P HA -0.168 nan 4.420 nan 0.000 0.216 151 P C 1.856 179.174 177.300 0.031 0.000 1.157 151 P CA 2.447 65.592 63.100 0.075 0.000 0.880 151 P CB -0.109 31.639 31.700 0.080 0.000 0.791 152 S N -1.643 114.078 115.700 0.035 0.000 2.515 152 S HA -0.040 4.431 4.470 0.002 0.000 0.231 152 S C 1.424 176.022 174.600 -0.003 0.000 0.987 152 S CA 0.743 58.951 58.200 0.014 0.000 0.936 152 S CB -0.659 62.554 63.200 0.022 0.000 0.766 152 S HN 0.118 nan 8.310 nan 0.000 0.528 153 E N 1.636 121.842 120.200 0.011 0.000 2.481 153 E HA 0.149 4.500 4.350 0.002 0.000 0.198 153 E C -0.163 176.377 176.600 -0.099 0.000 1.027 153 E CA 0.085 56.498 56.400 0.022 0.000 0.900 153 E CB 0.111 29.879 29.700 0.114 0.000 0.993 153 E HN 0.449 nan 8.360 nan 0.000 0.482 154 T N 3.583 118.026 114.554 -0.186 0.000 2.928 154 T HA 0.107 4.458 4.350 0.002 0.000 0.305 154 T C -2.370 172.093 174.700 -0.395 0.000 1.035 154 T CA -0.904 60.926 62.100 -0.450 0.000 1.145 154 T CB 0.437 69.174 68.868 -0.219 0.000 0.963 154 T HN -0.086 nan 8.240 nan 0.000 0.545 155 P HA 0.107 nan 4.420 nan 0.000 0.261 155 P C 0.581 177.807 177.300 -0.122 0.000 1.183 155 P CA -0.045 62.906 63.100 -0.249 0.000 0.761 155 P CB 0.269 31.832 31.700 -0.228 0.000 0.785 156 A N 6.811 129.590 122.820 -0.068 0.000 1.958 156 A HA -0.167 4.154 4.320 0.002 0.000 0.221 156 A C -0.338 177.252 177.584 0.010 0.000 1.178 156 A CA 1.851 53.871 52.037 -0.028 0.000 0.642 156 A CB -2.308 16.682 19.000 -0.017 0.000 0.816 156 A HN 0.470 nan 8.150 nan 0.000 0.453 157 P HA -0.116 nan 4.420 nan 0.000 0.218 157 P C 1.111 178.541 177.300 0.217 0.000 1.148 157 P CA 0.749 63.916 63.100 0.110 0.000 0.822 157 P CB 0.027 31.799 31.700 0.119 0.000 0.784 158 L N -1.852 119.484 121.223 0.189 0.000 2.509 158 L HA -0.007 4.334 4.340 0.002 0.000 0.222 158 L C 2.125 179.133 176.870 0.230 0.000 1.123 158 L CA 0.928 55.960 54.840 0.319 0.000 0.856 158 L CB -1.086 41.083 42.059 0.184 0.000 0.985 158 L HN -0.171 nan 8.230 nan 0.000 0.456 159 V N -1.410 118.550 119.914 0.076 0.000 2.287 159 V HA -0.323 3.798 4.120 0.002 0.000 0.248 159 V C 2.658 178.769 176.094 0.028 0.000 1.053 159 V CA 1.988 64.304 62.300 0.027 0.000 1.027 159 V CB -0.524 31.294 31.823 -0.008 0.000 0.646 159 V HN 0.518 nan 8.190 nan 0.000 0.447 160 S N -1.320 114.356 115.700 -0.041 0.000 2.359 160 S HA -0.228 4.243 4.470 0.002 0.000 0.224 160 S C 1.940 176.505 174.600 -0.059 0.000 1.035 160 S CA 1.978 60.105 58.200 -0.121 0.000 1.018 160 S CB -0.391 62.636 63.200 -0.289 0.000 0.876 160 S HN 0.626 nan 8.310 nan 0.000 0.448 161 Y N 1.557 121.922 120.300 0.109 0.000 2.181 161 Y HA -0.032 4.519 4.550 0.002 0.000 0.288 161 Y C 2.634 178.686 175.900 0.253 0.000 1.146 161 Y CA 1.534 59.730 58.100 0.160 0.000 1.164 161 Y CB -0.630 37.920 38.460 0.150 0.000 0.982 161 Y HN 0.224 nan 8.280 nan 0.000 0.515 162 R N 0.805 121.514 120.500 0.349 0.000 2.083 162 R HA -0.210 4.131 4.340 0.002 0.000 0.237 162 R C 1.917 178.266 176.300 0.082 0.000 1.137 162 R CA 2.156 58.323 56.100 0.111 0.000 0.951 162 R CB -0.206 30.076 30.300 -0.031 0.000 0.851 162 R HN 0.447 nan 8.270 nan 0.000 0.434 163 E N 0.062 120.308 120.200 0.075 0.000 2.047 163 E HA -0.194 4.157 4.350 0.002 0.000 0.191 163 E C 2.035 178.676 176.600 0.067 0.000 0.987 163 E CA 1.463 57.899 56.400 0.059 0.000 0.799 163 E CB -0.045 29.681 29.700 0.044 0.000 0.752 163 E HN 0.502 nan 8.360 nan 0.000 0.449 164 E N 0.586 120.833 120.200 0.079 0.000 2.077 164 E HA -0.230 4.121 4.350 0.002 0.000 0.193 164 E C 2.064 178.715 176.600 0.085 0.000 0.989 164 E CA 1.098 57.544 56.400 0.077 0.000 0.800 164 E CB 0.030 29.781 29.700 0.085 0.000 0.746 164 E HN 0.098 nan 8.360 nan 0.000 0.452 165 E N 1.228 121.500 120.200 0.120 0.000 2.072 165 E HA -0.147 4.204 4.350 0.002 0.000 0.191 165 E C 1.959 178.597 176.600 0.064 0.000 0.985 165 E CA 0.919 57.380 56.400 0.102 0.000 0.801 165 E CB -0.273 29.536 29.700 0.181 0.000 0.750 165 E HN 0.187 nan 8.360 nan 0.000 0.452 166 L N 0.301 121.553 121.223 0.048 0.000 2.012 166 L HA -0.235 4.106 4.340 0.002 0.000 0.210 166 L C 2.417 179.299 176.870 0.019 0.000 1.073 166 L CA 1.518 56.370 54.840 0.020 0.000 0.748 166 L CB -0.528 41.542 42.059 0.017 0.000 0.891 166 L HN 0.137 nan 8.230 nan 0.000 0.431 167 K N -0.199 120.221 120.400 0.033 0.000 2.074 167 K HA -0.143 4.178 4.320 0.002 0.000 0.209 167 K C 2.183 178.804 176.600 0.036 0.000 1.048 167 K CA 1.584 57.890 56.287 0.031 0.000 0.926 167 K CB -0.683 31.840 32.500 0.038 0.000 0.713 167 K HN 0.250 nan 8.250 nan 0.000 0.444 168 S N 1.636 117.363 115.700 0.045 0.000 2.370 168 S HA -0.076 4.396 4.470 0.002 0.000 0.226 168 S C 2.050 176.693 174.600 0.071 0.000 1.033 168 S CA 1.028 59.258 58.200 0.050 0.000 1.011 168 S CB -0.283 62.942 63.200 0.042 0.000 0.852 168 S HN 0.215 nan 8.310 nan 0.000 0.457 169 L N 0.704 121.981 121.223 0.089 0.000 2.362 169 L HA -0.020 4.321 4.340 0.002 0.000 0.219 169 L C 2.526 179.490 176.870 0.158 0.000 1.134 169 L CA 0.834 55.772 54.840 0.164 0.000 0.807 169 L CB -0.344 41.813 42.059 0.164 0.000 0.927 169 L HN 0.202 nan 8.230 nan 0.000 0.447 170 R N -0.108 120.436 120.500 0.073 0.000 2.080 170 R HA 0.152 4.493 4.340 0.002 0.000 0.222 170 R C 1.131 177.458 176.300 0.044 0.000 1.107 170 R CA 0.519 56.648 56.100 0.048 0.000 0.980 170 R CB -0.204 30.101 30.300 0.009 0.000 0.879 170 R HN 0.376 nan 8.270 nan 0.000 0.439 171 G N 1.105 109.926 108.800 0.035 0.000 2.804 171 G HA2 -0.324 3.637 3.960 0.002 0.000 0.230 171 G HA3 -0.324 3.637 3.960 0.002 0.000 0.230 171 G C -0.196 174.709 174.900 0.007 0.000 1.386 171 G CA 0.040 45.148 45.100 0.014 0.000 0.875 171 G HN 0.455 nan 8.290 nan 0.000 0.557 172 N N 1.125 119.822 118.700 -0.006 0.000 2.214 172 N HA 0.284 5.025 4.740 0.002 0.000 0.214 172 N C 1.696 177.200 175.510 -0.011 0.000 1.132 172 N CA 1.094 54.141 53.050 -0.005 0.000 0.856 172 N CB -0.071 38.411 38.487 -0.008 0.000 1.020 172 N HN 2.292 nan 8.380 nan 0.000 0.509 173 G N 0.495 109.286 108.800 -0.016 0.000 2.234 173 G HA2 -0.312 3.649 3.960 0.002 0.000 0.260 173 G HA3 -0.312 3.649 3.960 0.002 0.000 0.260 173 G C 0.269 175.145 174.900 -0.039 0.000 0.987 173 G CA 0.934 46.024 45.100 -0.018 0.000 0.625 173 G HN 0.701 nan 8.290 nan 0.000 0.532 174 T N -1.895 112.630 114.554 -0.048 0.000 2.949 174 T HA 0.859 5.210 4.350 0.002 0.000 0.287 174 T C 0.623 175.271 174.700 -0.087 0.000 1.034 174 T CA 0.372 62.435 62.100 -0.061 0.000 1.018 174 T CB 2.244 71.084 68.868 -0.047 0.000 1.135 174 T HN 2.335 nan 8.240 nan 0.000 0.532 175 G N 0.226 108.967 108.800 -0.099 0.000 2.675 175 G HA2 0.003 3.964 3.960 0.002 0.000 0.686 175 G HA3 0.003 3.964 3.960 0.002 0.000 0.686 175 G C -0.776 174.018 174.900 -0.176 0.000 1.215 175 G CA -0.531 44.495 45.100 -0.125 0.000 0.777 175 G HN 1.056 nan 8.290 nan 0.000 0.638 176 E N 0.815 120.902 120.200 -0.188 0.000 2.229 176 E HA 0.368 4.719 4.350 0.002 0.000 0.283 176 E C 0.561 176.954 176.600 -0.345 0.000 1.030 176 E CA -0.830 55.426 56.400 -0.239 0.000 0.836 176 E CB 0.422 30.008 29.700 -0.189 0.000 1.068 176 E HN 0.395 nan 8.360 nan 0.000 0.401 177 R N 3.827 124.022 120.500 -0.509 0.000 2.347 177 R HA 0.182 4.523 4.340 0.002 0.000 0.304 177 R C -0.106 175.747 176.300 -0.746 0.000 1.072 177 R CA -0.302 55.284 56.100 -0.858 0.000 0.980 177 R CB 0.591 29.928 30.300 -1.605 0.000 0.986 177 R HN 0.376 nan 8.270 nan 0.000 0.448 178 K N 1.993 121.974 120.400 -0.699 0.000 2.087 178 K HA 0.061 4.382 4.320 0.002 0.000 0.255 178 K C 1.158 177.418 176.600 -0.566 0.000 0.988 178 K CA -0.467 55.430 56.287 -0.651 0.000 0.915 178 K CB 1.035 32.977 32.500 -0.931 0.000 1.043 178 K HN 0.554 nan 8.250 nan 0.000 0.457 179 E N 1.054 121.010 120.200 -0.406 0.000 2.114 179 E HA -0.253 4.098 4.350 0.002 0.000 0.199 179 E C 0.986 177.411 176.600 -0.291 0.000 1.008 179 E CA 1.914 58.198 56.400 -0.193 0.000 0.810 179 E CB -0.053 29.603 29.700 -0.073 0.000 0.739 179 E HN 0.595 nan 8.360 nan 0.000 0.456 180 Y N -0.155 119.902 120.300 -0.406 0.000 2.490 180 Y HA 0.283 4.834 4.550 0.002 0.000 0.281 180 Y C 0.022 175.791 175.900 -0.218 0.000 1.174 180 Y CA -0.566 57.118 58.100 -0.694 0.000 1.295 180 Y CB -0.142 37.615 38.460 -1.170 0.000 1.062 180 Y HN -0.243 nan 8.280 nan 0.000 0.522 181 D N 1.920 122.179 120.400 -0.236 0.000 2.345 181 D HA 0.162 4.803 4.640 0.002 0.000 0.247 181 D C 0.116 176.476 176.300 0.100 0.000 1.108 181 D CA -0.089 53.892 54.000 -0.032 0.000 0.894 181 D CB 0.945 41.630 40.800 -0.191 0.000 1.203 181 D HN 0.366 nan 8.370 nan 0.000 0.430 182 R N 1.485 122.050 120.500 0.108 0.000 2.935 182 R HA 0.368 4.709 4.340 0.002 0.000 0.354 182 R C -0.223 176.115 176.300 0.064 0.000 1.206 182 R CA -0.273 55.876 56.100 0.082 0.000 1.082 182 R CB 0.218 30.621 30.300 0.172 0.000 1.431 182 R HN 0.296 nan 8.270 nan 0.000 0.582 183 I N 0.893 121.465 120.570 0.003 0.000 2.359 183 I HA 0.264 4.435 4.170 0.002 0.000 0.294 183 I C -0.612 175.452 176.117 -0.089 0.000 0.987 183 I CA -0.911 60.413 61.300 0.039 0.000 1.225 183 I CB 0.993 38.991 38.000 -0.003 0.000 1.366 183 I HN 0.054 nan 8.210 nan 0.000 0.466 184 Y N 4.368 124.660 120.300 -0.014 0.000 2.335 184 Y HA 0.540 5.091 4.550 0.002 0.000 0.338 184 Y C -0.088 175.718 175.900 -0.156 0.000 0.977 184 Y CA -0.472 57.578 58.100 -0.084 0.000 1.114 184 Y CB 1.231 39.642 38.460 -0.082 0.000 1.182 184 Y HN 0.459 nan 8.280 nan 0.000 0.463 185 D N 0.571 120.899 120.400 -0.120 0.000 2.665 185 D HA 0.328 4.969 4.640 0.002 0.000 0.287 185 D C -1.747 174.359 176.300 -0.324 0.000 1.266 185 D CA -0.813 53.064 54.000 -0.205 0.000 0.830 185 D CB 1.420 42.194 40.800 -0.043 0.000 1.356 185 D HN 0.267 nan 8.370 nan 0.000 0.437 186 Y N 0.367 120.651 120.300 -0.026 0.000 2.420 186 Y HA 0.580 5.131 4.550 0.002 0.000 0.334 186 Y C 0.394 176.251 175.900 -0.071 0.000 1.094 186 Y CA -0.543 57.521 58.100 -0.060 0.000 1.126 186 Y CB 1.513 39.928 38.460 -0.074 0.000 1.217 186 Y HN 0.083 nan 8.280 nan 0.000 0.462 187 D N -0.258 120.177 120.400 0.059 0.000 2.596 187 D HA 0.397 5.038 4.640 0.002 0.000 0.262 187 D C -1.318 174.972 176.300 -0.016 0.000 1.210 187 D CA -0.459 53.540 54.000 -0.002 0.000 0.873 187 D CB 2.921 43.682 40.800 -0.066 0.000 1.408 187 D HN 0.321 nan 8.370 nan 0.000 0.441 188 V N 1.345 121.257 119.914 -0.003 0.000 3.083 188 V HA 0.115 4.236 4.120 0.002 0.000 0.306 188 V C -0.139 175.968 176.094 0.022 0.000 1.077 188 V CA -0.101 62.233 62.300 0.057 0.000 1.073 188 V CB 0.830 32.683 31.823 0.049 0.000 1.081 188 V HN 0.457 nan 8.190 nan 0.000 0.474 189 Y N 4.798 125.088 120.300 -0.015 0.000 2.570 189 Y HA 0.169 4.720 4.550 0.002 0.000 0.336 189 Y C 1.237 177.079 175.900 -0.097 0.000 1.284 189 Y CA -0.391 57.678 58.100 -0.053 0.000 1.761 189 Y CB -0.411 37.980 38.460 -0.114 0.000 1.724 189 Y HN 0.710 nan 8.280 nan 0.000 0.455 190 N N -0.094 118.605 118.700 -0.001 0.000 2.234 190 N HA -0.029 4.712 4.740 0.002 0.000 0.227 190 N C 0.034 175.514 175.510 -0.050 0.000 1.151 190 N CA 0.105 53.136 53.050 -0.030 0.000 0.865 190 N CB 0.104 38.569 38.487 -0.036 0.000 1.066 190 N HN 0.507 nan 8.380 nan 0.000 0.515 191 D N -0.536 119.838 120.400 -0.043 0.000 2.431 191 D HA 0.058 4.699 4.640 0.002 0.000 0.213 191 D C 1.000 177.325 176.300 0.042 0.000 1.130 191 D CA -0.317 53.655 54.000 -0.047 0.000 0.834 191 D CB 0.057 40.772 40.800 -0.142 0.000 0.985 191 D HN -0.008 nan 8.370 nan 0.000 0.504 192 L N 1.026 122.264 121.223 0.026 0.000 2.307 192 L HA 0.313 4.654 4.340 0.002 0.000 0.211 192 L C 1.630 178.484 176.870 -0.028 0.000 1.099 192 L CA 0.530 55.376 54.840 0.010 0.000 0.816 192 L CB -0.594 41.441 42.059 -0.040 0.000 0.952 192 L HN 0.094 nan 8.230 nan 0.000 0.455 193 G N -0.896 107.878 108.800 -0.043 0.000 2.537 193 G HA2 0.166 4.127 3.960 0.002 0.000 0.273 193 G HA3 0.166 4.127 3.960 0.002 0.000 0.273 193 G C -0.140 174.742 174.900 -0.031 0.000 1.189 193 G CA -0.358 44.710 45.100 -0.053 0.000 0.881 193 G HN 0.300 nan 8.290 nan 0.000 0.535 194 N N 1.119 119.799 118.700 -0.034 0.000 2.765 194 N HA 0.274 5.015 4.740 0.002 0.000 0.277 194 N C -1.874 173.621 175.510 -0.026 0.000 1.750 194 N CA -1.543 51.493 53.050 -0.022 0.000 0.827 194 N CB 1.705 40.181 38.487 -0.018 0.000 1.200 194 N HN 0.119 nan 8.380 nan 0.000 0.494 195 P HA -0.049 nan 4.420 nan 0.000 0.218 195 P C 0.305 177.592 177.300 -0.021 0.000 1.149 195 P CA 1.003 64.088 63.100 -0.025 0.000 0.817 195 P CB 0.329 32.014 31.700 -0.025 0.000 0.785 196 D N -1.049 119.340 120.400 -0.019 0.000 2.347 196 D HA -0.077 4.564 4.640 0.002 0.000 0.215 196 D C 1.773 178.064 176.300 -0.015 0.000 0.976 196 D CA 0.843 54.833 54.000 -0.017 0.000 0.884 196 D CB -0.204 40.586 40.800 -0.017 0.000 0.915 196 D HN 0.246 nan 8.370 nan 0.000 0.526 197 K N -0.434 119.957 120.400 -0.016 0.000 2.166 197 K HA 0.040 4.361 4.320 0.002 0.000 0.201 197 K C 0.104 176.694 176.600 -0.016 0.000 1.052 197 K CA 0.331 56.609 56.287 -0.015 0.000 0.969 197 K CB 0.511 33.002 32.500 -0.015 0.000 0.761 197 K HN -0.015 nan 8.250 nan 0.000 0.459 198 S N -0.625 115.064 115.700 -0.019 0.000 2.578 198 S HA 0.112 4.583 4.470 0.002 0.000 0.285 198 S C -0.428 174.158 174.600 -0.023 0.000 1.126 198 S CA -0.733 57.455 58.200 -0.019 0.000 0.878 198 S CB 1.455 64.643 63.200 -0.021 0.000 1.091 198 S HN 0.162 nan 8.310 nan 0.000 0.450 199 E N 1.818 122.007 120.200 -0.020 0.000 2.338 199 E HA 0.003 4.354 4.350 0.002 0.000 0.197 199 E C 1.092 177.676 176.600 -0.027 0.000 1.007 199 E CA 0.602 56.989 56.400 -0.020 0.000 0.849 199 E CB 0.088 29.779 29.700 -0.014 0.000 0.774 199 E HN 0.459 nan 8.360 nan 0.000 0.506 200 K N 0.132 120.515 120.400 -0.028 0.000 2.362 200 K HA -0.020 4.302 4.320 0.002 0.000 0.200 200 K C 1.639 178.207 176.600 -0.054 0.000 1.046 200 K CA 0.404 56.669 56.287 -0.037 0.000 0.952 200 K CB 0.038 32.518 32.500 -0.034 0.000 0.753 200 K HN 0.232 nan 8.250 nan 0.000 0.466 201 L N 0.729 121.922 121.223 -0.049 0.000 2.700 201 L HA 0.209 4.550 4.340 0.002 0.000 0.234 201 L C 0.602 177.435 176.870 -0.062 0.000 1.156 201 L CA -0.479 54.325 54.840 -0.059 0.000 0.946 201 L CB 0.054 42.084 42.059 -0.047 0.000 1.216 201 L HN -0.115 nan 8.230 nan 0.000 0.493 202 A N 0.859 123.645 122.820 -0.057 0.000 2.388 202 A HA 0.628 4.949 4.320 0.002 0.000 0.257 202 A C 0.035 177.571 177.584 -0.079 0.000 1.095 202 A CA -0.101 51.903 52.037 -0.056 0.000 0.791 202 A CB 0.439 19.416 19.000 -0.038 0.000 1.029 202 A HN 0.188 nan 8.150 nan 0.000 0.489 203 R N 1.260 121.704 120.500 -0.093 0.000 2.771 203 R HA 0.543 4.884 4.340 0.002 0.000 0.274 203 R C -2.868 173.339 176.300 -0.155 0.000 0.987 203 R CA -1.869 54.148 56.100 -0.138 0.000 0.908 203 R CB 1.169 31.374 30.300 -0.157 0.000 1.213 203 R HN 0.710 nan 8.270 nan 0.000 0.468 204 P HA 0.106 nan 4.420 nan 0.000 0.269 204 P C -0.274 176.848 177.300 -0.297 0.000 1.209 204 P CA -0.326 62.586 63.100 -0.313 0.000 0.776 204 P CB 0.694 31.953 31.700 -0.736 0.000 0.876 205 V N 4.088 123.903 119.914 -0.164 0.000 2.427 205 V HA 0.071 4.192 4.120 0.002 0.000 0.268 205 V C 0.728 176.749 176.094 -0.121 0.000 1.046 205 V CA -0.163 62.080 62.300 -0.094 0.000 0.970 205 V CB 0.100 31.917 31.823 -0.009 0.000 1.001 205 V HN 0.347 nan 8.190 nan 0.000 0.476 206 L N 5.803 126.921 121.223 -0.175 0.000 2.264 206 L HA 0.801 5.142 4.340 0.002 0.000 0.289 206 L C 0.695 177.588 176.870 0.038 0.000 1.044 206 L CA 0.045 54.761 54.840 -0.207 0.000 0.807 206 L CB 0.967 42.612 42.059 -0.690 0.000 1.192 206 L HN 0.889 nan 8.230 nan 0.000 0.425 207 G N 1.429 110.332 108.800 0.171 0.000 2.617 207 G HA2 0.294 4.255 3.960 0.002 0.000 0.686 207 G HA3 0.294 4.255 3.960 0.002 0.000 0.686 207 G C 0.297 175.295 174.900 0.163 0.000 1.214 207 G CA -0.324 44.905 45.100 0.214 0.000 0.796 207 G HN 1.105 nan 8.290 nan 0.000 0.654 208 G N -1.510 107.376 108.800 0.143 0.000 2.179 208 G HA2 0.240 4.201 3.960 0.002 0.000 0.260 208 G HA3 0.240 4.201 3.960 0.002 0.000 0.260 208 G C 0.938 175.901 174.900 0.105 0.000 0.977 208 G CA 1.689 46.848 45.100 0.098 0.000 0.641 208 G HN 2.800 nan 8.290 nan 0.000 0.533 209 S N -1.986 113.799 115.700 0.142 0.000 2.697 209 S HA 0.798 5.269 4.470 0.002 0.000 0.289 209 S C 0.956 175.626 174.600 0.117 0.000 1.149 209 S CA 0.718 58.987 58.200 0.116 0.000 0.850 209 S CB 1.632 64.908 63.200 0.126 0.000 1.151 209 S HN 0.505 nan 8.310 nan 0.000 0.491 210 S N 0.434 116.175 115.700 0.068 0.000 2.478 210 S HA 0.052 4.523 4.470 0.002 0.000 0.222 210 S C 1.604 176.211 174.600 0.012 0.000 1.008 210 S CA 0.948 59.184 58.200 0.059 0.000 0.928 210 S CB -0.514 62.707 63.200 0.036 0.000 0.781 210 S HN 0.811 nan 8.310 nan 0.000 0.518 211 T N 1.550 116.058 114.554 -0.078 0.000 2.674 211 T HA 0.035 4.386 4.350 0.002 0.000 0.265 211 T C 0.019 174.484 174.700 -0.393 0.000 1.039 211 T CA 1.069 62.983 62.100 -0.310 0.000 1.150 211 T CB -0.217 68.371 68.868 -0.466 0.000 0.864 211 T HN 0.295 nan 8.240 nan 0.000 0.427 212 F N 2.721 122.741 119.950 0.116 0.000 2.453 212 F HA 0.357 4.885 4.527 0.001 0.000 0.358 212 F C -2.409 173.499 175.800 0.179 0.000 1.129 212 F CA -3.495 54.584 58.000 0.132 0.000 1.200 212 F CB 0.913 39.954 39.000 0.069 0.000 1.431 212 F HN -0.065 nan 8.300 nan 0.000 0.503 213 P HA 0.134 nan 4.420 nan 0.000 0.275 213 P C -1.185 176.400 177.300 0.476 0.000 1.227 213 P CA 0.090 63.454 63.100 0.441 0.000 0.781 213 P CB 1.756 33.740 31.700 0.474 0.000 0.906 214 Y N 2.490 122.792 120.300 0.003 0.000 2.592 214 Y HA 0.343 4.894 4.550 0.002 0.000 0.334 214 Y C -2.419 173.175 175.900 -0.510 0.000 1.136 214 Y CA -2.151 55.662 58.100 -0.478 0.000 1.042 214 Y CB 2.254 40.565 38.460 -0.249 0.000 1.325 214 Y HN 0.283 nan 8.280 nan 0.000 0.457 215 P HA 0.175 nan 4.420 nan 0.000 0.272 215 P C -0.679 176.561 177.300 -0.101 0.000 1.223 215 P CA -0.171 62.610 63.100 -0.532 0.000 0.784 215 P CB 0.826 32.098 31.700 -0.715 0.000 0.923 216 R N 1.753 122.186 120.500 -0.111 0.000 2.577 216 R HA 0.393 4.734 4.340 0.002 0.000 0.269 216 R C 0.928 177.263 176.300 0.060 0.000 1.084 216 R CA -0.353 55.784 56.100 0.062 0.000 1.163 216 R CB 0.245 30.605 30.300 0.100 0.000 1.100 216 R HN 0.669 nan 8.270 nan 0.000 0.547 217 R N -1.340 119.134 120.500 -0.044 0.000 2.939 217 R HA 0.628 4.970 4.340 0.002 0.000 0.254 217 R C -0.007 176.213 176.300 -0.135 0.000 1.123 217 R CA -0.828 55.177 56.100 -0.158 0.000 1.020 217 R CB -0.087 29.893 30.300 -0.533 0.000 1.206 217 R HN 0.594 nan 8.270 nan 0.000 0.491 218 G N 0.376 109.093 108.800 -0.138 0.000 2.406 218 G HA2 0.233 4.194 3.960 0.002 0.000 0.251 218 G HA3 0.233 4.194 3.960 0.002 0.000 0.251 218 G C -0.766 174.069 174.900 -0.109 0.000 1.271 218 G CA -0.690 44.330 45.100 -0.134 0.000 0.859 218 G HN 0.566 nan 8.290 nan 0.000 0.540 219 R N 0.880 121.327 120.500 -0.089 0.000 2.389 219 R HA 0.243 4.584 4.340 0.002 0.000 0.295 219 R C 1.236 177.506 176.300 -0.050 0.000 1.075 219 R CA 0.388 56.440 56.100 -0.081 0.000 1.005 219 R CB 0.561 30.818 30.300 -0.072 0.000 0.987 219 R HN 0.599 nan 8.270 nan 0.000 0.452 220 T N 0.388 114.879 114.554 -0.106 0.000 3.038 220 T HA 0.196 4.547 4.350 0.002 0.000 0.244 220 T C 1.262 175.814 174.700 -0.245 0.000 1.016 220 T CA 0.398 62.419 62.100 -0.133 0.000 1.098 220 T CB 0.229 68.995 68.868 -0.170 0.000 0.954 220 T HN 0.767 nan 8.240 nan 0.000 0.469 221 G N 1.970 110.645 108.800 -0.209 0.000 2.160 221 G HA2 -0.283 3.678 3.960 0.002 0.000 0.244 221 G HA3 -0.283 3.678 3.960 0.002 0.000 0.244 221 G C 0.747 175.533 174.900 -0.190 0.000 1.022 221 G CA 0.317 45.301 45.100 -0.194 0.000 0.741 221 G HN 0.520 nan 8.290 nan 0.000 0.508 222 R N 0.038 120.418 120.500 -0.201 0.000 2.237 222 R HA 0.337 4.678 4.340 0.002 0.000 0.219 222 R C 1.729 177.949 176.300 -0.134 0.000 1.080 222 R CA 1.272 57.267 56.100 -0.175 0.000 0.995 222 R CB -0.092 30.087 30.300 -0.202 0.000 0.875 222 R HN 1.725 nan 8.270 nan 0.000 0.462 223 G N 0.431 109.157 108.800 -0.124 0.000 2.663 223 G HA2 -0.158 3.803 3.960 0.002 0.000 0.686 223 G HA3 -0.158 3.803 3.960 0.002 0.000 0.686 223 G C -2.869 171.980 174.900 -0.085 0.000 1.288 223 G CA -0.947 44.096 45.100 -0.095 0.000 0.836 223 G HN -0.025 nan 8.290 nan 0.000 0.584 224 P HA 0.406 nan 4.420 nan 0.000 0.276 224 P C 0.751 178.021 177.300 -0.051 0.000 1.252 224 P CA 0.368 63.433 63.100 -0.057 0.000 0.802 224 P CB 0.797 32.469 31.700 -0.046 0.000 1.035 225 T N -2.424 112.104 114.554 -0.045 0.000 2.816 225 T HA 0.157 4.508 4.350 0.002 0.000 0.282 225 T C 1.532 176.214 174.700 -0.030 0.000 0.993 225 T CA -0.629 61.449 62.100 -0.037 0.000 0.994 225 T CB -0.164 68.684 68.868 -0.033 0.000 1.025 225 T HN 0.099 nan 8.240 nan 0.000 0.529 226 V N 1.549 121.448 119.914 -0.026 0.000 2.307 226 V HA -0.158 3.963 4.120 0.002 0.000 0.245 226 V C 3.129 179.212 176.094 -0.019 0.000 1.045 226 V CA 2.404 64.691 62.300 -0.022 0.000 1.024 226 V CB -1.529 30.282 31.823 -0.019 0.000 0.651 226 V HN 1.162 nan 8.190 nan 0.000 0.449 227 T N -2.440 112.103 114.554 -0.019 0.000 2.896 227 T HA -0.059 4.293 4.350 0.002 0.000 0.263 227 T C 0.686 175.376 174.700 -0.016 0.000 1.050 227 T CA 1.040 63.130 62.100 -0.016 0.000 1.140 227 T CB -0.002 68.856 68.868 -0.016 0.000 0.877 227 T HN 0.410 nan 8.240 nan 0.000 0.457 228 D N 1.900 122.288 120.400 -0.019 0.000 2.542 228 D HA 0.315 4.956 4.640 0.002 0.000 0.252 228 D C -2.058 174.228 176.300 -0.023 0.000 1.222 228 D CA -2.641 51.348 54.000 -0.019 0.000 0.895 228 D CB 2.211 42.999 40.800 -0.019 0.000 1.207 228 D HN -0.082 nan 8.370 nan 0.000 0.558 229 P HA -0.095 nan 4.420 nan 0.000 0.229 229 P C 0.037 177.322 177.300 -0.025 0.000 1.150 229 P CA 0.806 63.892 63.100 -0.024 0.000 0.765 229 P CB 0.378 32.066 31.700 -0.019 0.000 0.783 230 N N -1.535 117.152 118.700 -0.022 0.000 2.254 230 N HA 0.042 4.783 4.740 0.002 0.000 0.190 230 N C -0.015 175.477 175.510 -0.031 0.000 1.107 230 N CA 0.218 53.256 53.050 -0.021 0.000 0.869 230 N CB 0.213 38.695 38.487 -0.008 0.000 0.983 230 N HN 0.006 nan 8.380 nan 0.000 0.487 231 T N 0.258 114.790 114.554 -0.037 0.000 2.867 231 T HA 0.185 4.536 4.350 0.002 0.000 0.282 231 T C -0.272 174.391 174.700 -0.060 0.000 1.000 231 T CA -0.574 61.498 62.100 -0.046 0.000 1.042 231 T CB 2.174 71.016 68.868 -0.042 0.000 0.973 231 T HN 0.030 nan 8.240 nan 0.000 0.465 232 E N 1.902 122.054 120.200 -0.080 0.000 2.331 232 E HA 0.237 4.588 4.350 0.002 0.000 0.272 232 E C 0.007 176.544 176.600 -0.104 0.000 1.036 232 E CA -0.834 55.499 56.400 -0.111 0.000 0.864 232 E CB 0.594 30.198 29.700 -0.161 0.000 1.035 232 E HN 0.547 nan 8.360 nan 0.000 0.408 233 K N 3.345 123.683 120.400 -0.103 0.000 2.237 233 K HA 0.128 4.449 4.320 0.002 0.000 0.270 233 K C -0.050 176.497 176.600 -0.089 0.000 1.015 233 K CA -0.762 55.478 56.287 -0.077 0.000 0.949 233 K CB 0.773 33.233 32.500 -0.066 0.000 0.976 233 K HN 0.271 nan 8.250 nan 0.000 0.472 234 Q N 0.407 120.191 119.800 -0.028 0.000 2.469 234 Q HA 0.179 4.520 4.340 0.002 0.000 0.279 234 Q C 0.230 176.246 176.000 0.026 0.000 1.097 234 Q CA 0.824 56.650 55.803 0.038 0.000 0.951 234 Q CB 0.994 29.768 28.738 0.060 0.000 1.297 234 Q HN 0.929 nan 8.270 nan 0.000 0.465 235 G N 0.164 109.050 108.800 0.144 0.000 2.690 235 G HA2 0.288 4.249 3.960 0.002 0.000 0.291 235 G HA3 0.288 4.249 3.960 0.002 0.000 0.291 235 G C 0.084 175.103 174.900 0.198 0.000 1.403 235 G CA -0.460 44.707 45.100 0.112 0.000 0.864 235 G HN 0.445 nan 8.290 nan 0.000 0.480 236 E N -1.222 119.045 120.200 0.113 0.000 2.028 236 E HA -0.045 4.306 4.350 0.002 0.000 0.190 236 E C 1.174 177.846 176.600 0.119 0.000 0.984 236 E CA 1.565 58.017 56.400 0.086 0.000 0.800 236 E CB 0.196 29.923 29.700 0.045 0.000 0.758 236 E HN 0.490 nan 8.360 nan 0.000 0.448 237 V N -1.146 118.857 119.914 0.149 0.000 2.540 237 V HA 0.424 4.546 4.120 0.002 0.000 0.302 237 V C -0.692 175.592 176.094 0.318 0.000 1.035 237 V CA -0.905 61.496 62.300 0.169 0.000 0.873 237 V CB 1.157 33.030 31.823 0.083 0.000 0.992 237 V HN -0.145 nan 8.190 nan 0.000 0.428 238 F N 5.375 125.316 119.950 -0.015 0.000 2.404 238 F HA 0.429 4.957 4.527 0.002 0.000 0.359 238 F C 0.180 175.978 175.800 -0.003 0.000 1.134 238 F CA -1.307 56.687 58.000 -0.010 0.000 1.160 238 F CB 0.347 39.330 39.000 -0.028 0.000 1.186 238 F HN 0.802 nan 8.300 nan 0.000 0.526 239 Y N 4.751 125.048 120.300 -0.005 0.000 2.702 239 Y HA 0.370 4.921 4.550 0.002 0.000 0.336 239 Y C -0.367 175.483 175.900 -0.084 0.000 1.235 239 Y CA -0.538 57.514 58.100 -0.079 0.000 1.492 239 Y CB 0.496 38.861 38.460 -0.158 0.000 1.308 239 Y HN 0.343 nan 8.280 nan 0.000 0.589 240 V N 3.393 122.785 119.914 -0.871 0.000 3.040 240 V HA 0.658 4.779 4.120 0.002 0.000 0.312 240 V C -2.844 172.374 176.094 -1.460 0.000 1.115 240 V CA -3.175 58.590 62.300 -0.891 0.000 0.998 240 V CB 1.602 33.193 31.823 -0.386 0.000 1.042 240 V HN 0.696 nan 8.190 nan 0.000 0.433 241 P HA 0.196 nan 4.420 nan 0.000 0.266 241 P C 0.457 177.509 177.300 -0.412 0.000 1.195 241 P CA -0.033 62.598 63.100 -0.781 0.000 0.768 241 P CB 0.582 31.664 31.700 -1.031 0.000 0.838 242 R N 3.098 123.497 120.500 -0.168 0.000 2.134 242 R HA -0.205 4.136 4.340 0.002 0.000 0.248 242 R C 0.885 177.268 176.300 0.139 0.000 1.143 242 R CA 2.093 58.190 56.100 -0.004 0.000 0.957 242 R CB -1.241 29.136 30.300 0.128 0.000 0.867 242 R HN 0.434 nan 8.270 nan 0.000 0.441 243 D N 0.218 120.756 120.400 0.230 0.000 2.352 243 D HA -0.043 4.598 4.640 0.002 0.000 0.232 243 D C 0.773 177.200 176.300 0.211 0.000 1.055 243 D CA 0.400 54.605 54.000 0.341 0.000 0.891 243 D CB 0.190 41.214 40.800 0.374 0.000 0.897 243 D HN 0.344 nan 8.370 nan 0.000 0.529 244 E N -0.025 120.217 120.200 0.070 0.000 2.415 244 E HA -0.007 4.344 4.350 0.002 0.000 0.197 244 E C 0.474 177.081 176.600 0.011 0.000 1.007 244 E CA -0.031 56.388 56.400 0.030 0.000 0.890 244 E CB -0.039 29.618 29.700 -0.071 0.000 0.891 244 E HN 0.334 nan 8.360 nan 0.000 0.496 245 N N 1.483 120.181 118.700 -0.003 0.000 2.555 245 N HA 0.072 4.813 4.740 0.002 0.000 0.244 245 N C -0.825 174.699 175.510 0.023 0.000 1.114 245 N CA -0.332 52.703 53.050 -0.024 0.000 0.963 245 N CB 0.163 38.599 38.487 -0.084 0.000 1.276 245 N HN -0.160 nan 8.380 nan 0.000 0.510 246 L N 2.828 124.051 121.223 0.001 0.000 2.477 246 L HA 0.217 4.558 4.340 0.002 0.000 0.272 246 L C 1.343 178.062 176.870 -0.252 0.000 1.157 246 L CA 0.352 55.134 54.840 -0.096 0.000 0.889 246 L CB 0.715 42.689 42.059 -0.142 0.000 1.158 246 L HN 0.425 nan 8.230 nan 0.000 0.473 247 G N 2.921 111.609 108.800 -0.186 0.000 2.562 247 G HA2 0.377 4.338 3.960 0.002 0.000 0.275 247 G HA3 0.377 4.338 3.960 0.002 0.000 0.275 247 G C -0.673 173.958 174.900 -0.449 0.000 1.196 247 G CA -0.308 44.697 45.100 -0.158 0.000 0.908 247 G HN 0.619 nan 8.290 nan 0.000 0.524 248 H N 0.570 119.664 119.070 0.040 0.000 2.947 248 H HA 0.170 4.727 4.556 0.002 0.000 0.354 248 H C 0.225 175.570 175.328 0.028 0.000 1.085 248 H CA -0.718 55.345 56.048 0.025 0.000 1.253 248 H CB 2.236 32.017 29.762 0.031 0.000 1.757 248 H HN 0.315 nan 8.280 nan 0.000 0.523 249 L N 1.674 122.975 121.223 0.129 0.000 2.201 249 L HA -0.011 4.330 4.340 0.002 0.000 0.212 249 L C 0.313 177.236 176.870 0.087 0.000 1.105 249 L CA 1.786 56.678 54.840 0.085 0.000 0.775 249 L CB -0.122 41.973 42.059 0.060 0.000 0.913 249 L HN 0.343 nan 8.230 nan 0.000 0.440 250 K N -1.678 118.780 120.400 0.097 0.000 2.376 250 K HA 0.283 4.604 4.320 0.002 0.000 0.257 250 K C 1.170 177.804 176.600 0.056 0.000 0.939 250 K CA -0.066 56.258 56.287 0.062 0.000 0.809 250 K CB 1.766 34.291 32.500 0.042 0.000 1.121 250 K HN -0.194 nan 8.250 nan 0.000 0.425 251 S N 1.804 117.531 115.700 0.044 0.000 2.400 251 S HA -0.201 4.270 4.470 0.002 0.000 0.232 251 S C 1.736 176.327 174.600 -0.016 0.000 1.025 251 S CA 1.149 59.367 58.200 0.029 0.000 0.993 251 S CB -0.088 63.129 63.200 0.028 0.000 0.808 251 S HN 0.616 nan 8.310 nan 0.000 0.478 252 K N 1.306 121.695 120.400 -0.017 0.000 2.089 252 K HA -0.216 4.105 4.320 0.002 0.000 0.210 252 K C 0.692 177.245 176.600 -0.077 0.000 1.048 252 K CA 1.827 58.093 56.287 -0.035 0.000 0.926 252 K CB -0.240 32.251 32.500 -0.016 0.000 0.714 252 K HN 0.266 nan 8.250 nan 0.000 0.448 253 D N -0.155 120.176 120.400 -0.115 0.000 2.349 253 D HA -0.011 4.630 4.640 0.002 0.000 0.224 253 D C 0.075 176.034 176.300 -0.567 0.000 1.029 253 D CA 0.346 54.203 54.000 -0.239 0.000 0.879 253 D CB 0.339 41.035 40.800 -0.173 0.000 0.906 253 D HN 0.237 nan 8.370 nan 0.000 0.528 254 A N 0.868 123.441 122.820 -0.411 0.000 3.135 254 A HA 0.216 4.537 4.320 0.002 0.000 0.253 254 A C 1.667 179.170 177.584 -0.135 0.000 1.638 254 A CA -0.279 51.553 52.037 -0.341 0.000 1.295 254 A CB -0.794 18.185 19.000 -0.035 0.000 1.106 254 A HN 0.147 nan 8.150 nan 0.000 0.648 255 L N -0.484 120.659 121.223 -0.134 0.000 2.042 255 L HA -0.253 4.088 4.340 0.002 0.000 0.210 255 L C 2.373 179.247 176.870 0.008 0.000 1.076 255 L CA 1.755 56.572 54.840 -0.038 0.000 0.749 255 L CB -0.479 41.576 42.059 -0.006 0.000 0.893 255 L HN 0.549 nan 8.230 nan 0.000 0.432 256 E N 0.883 121.105 120.200 0.036 0.000 2.097 256 E HA -0.263 4.088 4.350 0.002 0.000 0.196 256 E C 2.007 178.627 176.600 0.033 0.000 1.000 256 E CA 1.891 58.328 56.400 0.061 0.000 0.804 256 E CB -0.660 29.096 29.700 0.092 0.000 0.740 256 E HN 0.745 nan 8.360 nan 0.000 0.454 257 I N -2.017 118.568 120.570 0.025 0.000 2.830 257 I HA 0.121 4.292 4.170 0.002 0.000 0.263 257 I C 2.100 178.214 176.117 -0.004 0.000 1.230 257 I CA 1.185 62.491 61.300 0.009 0.000 1.480 257 I CB -0.461 37.548 38.000 0.016 0.000 1.095 257 I HN 0.054 nan 8.210 nan 0.000 0.455 258 G N 1.870 110.668 108.800 -0.003 0.000 2.432 258 G HA2 -0.282 3.679 3.960 0.002 0.000 0.219 258 G HA3 -0.282 3.679 3.960 0.002 0.000 0.219 258 G C 1.757 176.657 174.900 0.001 0.000 1.135 258 G CA 1.527 46.623 45.100 -0.007 0.000 0.767 258 G HN 0.560 nan 8.290 nan 0.000 0.550 259 T N -0.894 113.663 114.554 0.006 0.000 2.821 259 T HA -0.045 4.306 4.350 0.002 0.000 0.267 259 T C 2.132 176.819 174.700 -0.021 0.000 1.046 259 T CA 1.675 63.778 62.100 0.005 0.000 1.139 259 T CB -0.171 68.702 68.868 0.009 0.000 0.871 259 T HN 0.374 nan 8.240 nan 0.000 0.454 260 K N 0.953 121.331 120.400 -0.037 0.000 2.025 260 K HA -0.058 4.263 4.320 0.002 0.000 0.207 260 K C 2.603 179.177 176.600 -0.042 0.000 1.049 260 K CA 1.436 57.688 56.287 -0.058 0.000 0.933 260 K CB -0.304 32.157 32.500 -0.065 0.000 0.714 260 K HN 0.367 nan 8.250 nan 0.000 0.438 261 S N 1.440 117.123 115.700 -0.029 0.000 2.368 261 S HA -0.168 4.303 4.470 0.002 0.000 0.225 261 S C 1.768 176.351 174.600 -0.028 0.000 1.030 261 S CA 1.279 59.463 58.200 -0.027 0.000 0.999 261 S CB -0.323 62.865 63.200 -0.020 0.000 0.844 261 S HN 0.306 nan 8.310 nan 0.000 0.459 262 L N 1.341 122.558 121.223 -0.010 0.000 2.093 262 L HA 0.027 4.368 4.340 0.002 0.000 0.208 262 L C 2.340 179.209 176.870 -0.001 0.000 1.085 262 L CA 1.617 56.461 54.840 0.007 0.000 0.755 262 L CB -0.893 41.199 42.059 0.054 0.000 0.904 262 L HN 0.216 nan 8.230 nan 0.000 0.435 263 S N -1.087 114.606 115.700 -0.012 0.000 2.345 263 S HA -0.177 4.294 4.470 0.002 0.000 0.220 263 S C 1.901 176.482 174.600 -0.031 0.000 1.031 263 S CA 1.440 59.628 58.200 -0.020 0.000 0.996 263 S CB -0.125 63.048 63.200 -0.044 0.000 0.882 263 S HN 0.648 nan 8.310 nan 0.000 0.445 264 Q N -0.582 119.193 119.800 -0.041 0.000 2.311 264 Q HA 0.174 4.515 4.340 0.002 0.000 0.203 264 Q C 1.580 177.555 176.000 -0.043 0.000 0.954 264 Q CA 0.926 56.705 55.803 -0.041 0.000 0.885 264 Q CB 0.167 28.880 28.738 -0.043 0.000 0.963 264 Q HN 0.561 nan 8.270 nan 0.000 0.471 265 I N -1.934 118.604 120.570 -0.053 0.000 3.650 265 I HA -0.069 4.102 4.170 0.002 0.000 0.261 265 I C 1.772 177.821 176.117 -0.114 0.000 1.154 265 I CA 0.189 61.448 61.300 -0.068 0.000 1.418 265 I CB 0.254 38.217 38.000 -0.061 0.000 1.539 265 I HN -0.133 nan 8.210 nan 0.000 0.449 266 V N 1.111 120.937 119.914 -0.147 0.000 2.379 266 V HA -0.254 3.867 4.120 0.002 0.000 0.245 266 V C 2.411 178.299 176.094 -0.344 0.000 1.044 266 V CA 2.055 64.167 62.300 -0.314 0.000 1.036 266 V CB -0.724 30.931 31.823 -0.279 0.000 0.664 266 V HN 0.472 nan 8.190 nan 0.000 0.453 267 Q N 0.314 120.047 119.800 -0.110 0.000 2.050 267 Q HA -0.195 4.146 4.340 0.002 0.000 0.202 267 Q C -0.011 176.005 176.000 0.027 0.000 0.980 267 Q CA 2.250 58.072 55.803 0.031 0.000 0.840 267 Q CB -1.061 27.709 28.738 0.053 0.000 0.898 267 Q HN 0.463 nan 8.270 nan 0.000 0.424 268 P HA -0.247 nan 4.420 nan 0.000 0.217 268 P C 0.940 178.251 177.300 0.017 0.000 1.162 268 P CA 2.434 65.535 63.100 0.002 0.000 0.901 268 P CB -0.311 31.377 31.700 -0.020 0.000 0.793 269 A N -1.431 121.360 122.820 -0.049 0.000 1.892 269 A HA -0.239 4.082 4.320 0.002 0.000 0.218 269 A C 2.052 179.699 177.584 0.105 0.000 1.188 269 A CA 1.824 53.835 52.037 -0.043 0.000 0.631 269 A CB -1.820 17.072 19.000 -0.179 0.000 0.822 269 A HN 0.048 nan 8.150 nan 0.000 0.447 270 F N 0.190 120.187 119.950 0.078 0.000 2.102 270 F HA -0.120 4.408 4.527 0.002 0.000 0.298 270 F C 2.453 178.386 175.800 0.223 0.000 1.105 270 F CA 1.334 59.429 58.000 0.158 0.000 1.239 270 F CB -1.151 37.919 39.000 0.117 0.000 0.991 270 F HN 0.365 nan 8.300 nan 0.000 0.474 271 E N 0.035 120.415 120.200 0.301 0.000 2.085 271 E HA -0.199 4.152 4.350 0.002 0.000 0.194 271 E C 2.304 179.024 176.600 0.200 0.000 0.994 271 E CA 1.781 58.294 56.400 0.187 0.000 0.801 271 E CB -0.265 29.489 29.700 0.089 0.000 0.743 271 E HN 0.414 nan 8.360 nan 0.000 0.453 272 S N 1.263 117.056 115.700 0.155 0.000 2.356 272 S HA -0.157 4.314 4.470 0.002 0.000 0.223 272 S C 2.317 176.994 174.600 0.128 0.000 1.032 272 S CA 0.921 59.188 58.200 0.111 0.000 1.005 272 S CB -0.402 62.839 63.200 0.067 0.000 0.867 272 S HN 0.320 nan 8.310 nan 0.000 0.449 273 A N 1.034 123.954 122.820 0.167 0.000 1.940 273 A HA 0.023 4.344 4.320 0.002 0.000 0.219 273 A C 1.909 179.479 177.584 -0.023 0.000 1.176 273 A CA 1.494 53.575 52.037 0.073 0.000 0.631 273 A CB -1.014 18.037 19.000 0.086 0.000 0.814 273 A HN 0.514 nan 8.150 nan 0.000 0.446 274 F N 0.145 120.108 119.950 0.021 0.000 2.293 274 F HA -0.056 4.472 4.527 0.001 0.000 0.297 274 F C 1.980 177.777 175.800 -0.005 0.000 1.089 274 F CA 1.288 59.283 58.000 -0.009 0.000 1.377 274 F CB -0.155 38.828 39.000 -0.028 0.000 1.051 274 F HN 0.175 nan 8.300 nan 0.000 0.511 275 D N 0.233 120.735 120.400 0.170 0.000 2.178 275 D HA -0.095 4.546 4.640 0.002 0.000 0.201 275 D C 1.999 178.326 176.300 0.045 0.000 0.980 275 D CA 1.098 55.152 54.000 0.090 0.000 0.842 275 D CB -0.244 40.599 40.800 0.071 0.000 0.948 275 D HN 0.262 nan 8.370 nan 0.000 0.472 276 L N 0.365 121.605 121.223 0.028 0.000 2.612 276 L HA 0.057 4.398 4.340 0.002 0.000 0.230 276 L C 0.389 177.242 176.870 -0.028 0.000 1.140 276 L CA -0.092 54.747 54.840 -0.000 0.000 0.896 276 L CB -0.140 41.917 42.059 -0.003 0.000 1.065 276 L HN -0.195 nan 8.230 nan 0.000 0.447 277 K N 0.168 120.540 120.400 -0.046 0.000 3.012 277 K HA -0.217 4.104 4.320 0.002 0.000 0.259 277 K C 1.443 177.980 176.600 -0.105 0.000 0.989 277 K CA 0.939 57.181 56.287 -0.075 0.000 0.728 277 K CB -1.999 30.482 32.500 -0.032 0.000 1.260 277 K HN 0.610 nan 8.250 nan 0.000 0.480 278 S N -2.317 113.296 115.700 -0.146 0.000 2.461 278 S HA 0.011 4.482 4.470 0.002 0.000 0.228 278 S C 0.969 175.474 174.600 -0.159 0.000 1.005 278 S CA 0.843 58.972 58.200 -0.120 0.000 0.942 278 S CB 0.526 63.668 63.200 -0.096 0.000 0.776 278 S HN 0.332 nan 8.310 nan 0.000 0.514 279 T N 1.970 116.352 114.554 -0.288 0.000 2.896 279 T HA 0.561 4.912 4.350 0.002 0.000 0.297 279 T C -3.172 171.361 174.700 -0.279 0.000 1.108 279 T CA -1.859 60.073 62.100 -0.281 0.000 1.004 279 T CB 1.413 70.054 68.868 -0.379 0.000 1.159 279 T HN -0.116 nan 8.240 nan 0.000 0.499 280 P HA 0.171 nan 4.420 nan 0.000 0.264 280 P C 0.712 177.968 177.300 -0.074 0.000 1.183 280 P CA 0.104 63.175 63.100 -0.049 0.000 0.763 280 P CB 0.075 31.808 31.700 0.055 0.000 0.807 281 I N -0.903 119.678 120.570 0.018 0.000 3.684 281 I HA 0.295 4.466 4.170 0.002 0.000 0.304 281 I C 0.259 176.365 176.117 -0.017 0.000 1.278 281 I CA 0.575 61.992 61.300 0.195 0.000 1.272 281 I CB -0.067 38.067 38.000 0.223 0.000 1.029 281 I HN 0.091 nan 8.210 nan 0.000 0.458 282 E N 0.503 120.608 120.200 -0.158 0.000 2.308 282 E HA 0.478 4.829 4.350 0.002 0.000 0.275 282 E C -1.329 175.035 176.600 -0.393 0.000 0.890 282 E CA -0.652 55.568 56.400 -0.301 0.000 0.754 282 E CB 1.296 30.834 29.700 -0.270 0.000 1.207 282 E HN 0.082 nan 8.360 nan 0.000 0.426 283 F N 3.143 122.960 119.950 -0.221 0.000 2.429 283 F HA 0.235 4.764 4.527 0.002 0.000 0.348 283 F C 1.609 177.225 175.800 -0.308 0.000 1.109 283 F CA 0.136 58.030 58.000 -0.176 0.000 1.232 283 F CB 0.784 39.743 39.000 -0.069 0.000 1.157 283 F HN 0.613 nan 8.300 nan 0.000 0.564 284 H N -0.179 119.014 119.070 0.205 0.000 2.681 284 H HA 0.189 4.746 4.556 0.002 0.000 0.268 284 H C 0.337 175.687 175.328 0.038 0.000 0.967 284 H CA 0.713 56.817 56.048 0.093 0.000 1.233 284 H CB 0.768 30.561 29.762 0.051 0.000 1.445 284 H HN 0.509 nan 8.280 nan 0.000 0.494 285 S N -0.709 115.077 115.700 0.144 0.000 2.627 285 S HA 0.227 4.698 4.470 0.002 0.000 0.283 285 S C 0.347 175.008 174.600 0.102 0.000 1.127 285 S CA -0.753 57.457 58.200 0.017 0.000 0.863 285 S CB 1.021 64.224 63.200 0.005 0.000 1.121 285 S HN -0.159 nan 8.310 nan 0.000 0.479 286 F N 1.112 121.042 119.950 -0.034 0.000 2.202 286 F HA -0.037 4.491 4.527 0.002 0.000 0.301 286 F C 2.724 178.494 175.800 -0.050 0.000 1.082 286 F CA 1.179 59.134 58.000 -0.076 0.000 1.313 286 F CB -1.001 38.034 39.000 0.058 0.000 1.024 286 F HN 0.582 nan 8.300 nan 0.000 0.495 287 Q N 0.484 120.421 119.800 0.228 0.000 2.170 287 Q HA -0.162 4.179 4.340 0.002 0.000 0.203 287 Q C 1.606 177.637 176.000 0.051 0.000 0.976 287 Q CA 1.217 57.124 55.803 0.172 0.000 0.858 287 Q CB -0.464 28.336 28.738 0.104 0.000 0.907 287 Q HN 0.371 nan 8.270 nan 0.000 0.433 288 D N -0.704 119.717 120.400 0.034 0.000 2.178 288 D HA -0.110 4.531 4.640 0.002 0.000 0.201 288 D C 1.902 178.113 176.300 -0.149 0.000 0.980 288 D CA 0.729 54.756 54.000 0.046 0.000 0.842 288 D CB 0.112 41.038 40.800 0.211 0.000 0.948 288 D HN 0.091 nan 8.370 nan 0.000 0.472 289 V N 0.606 120.242 119.914 -0.463 0.000 2.379 289 V HA -0.152 3.969 4.120 0.002 0.000 0.243 289 V C 2.176 178.027 176.094 -0.404 0.000 1.035 289 V CA 1.125 62.963 62.300 -0.769 0.000 1.035 289 V CB -0.562 30.686 31.823 -0.957 0.000 0.673 289 V HN 0.270 nan 8.190 nan 0.000 0.457 290 H N 0.418 119.341 119.070 -0.246 0.000 2.457 290 H HA -0.163 4.394 4.556 0.002 0.000 0.297 290 H C 2.139 177.072 175.328 -0.659 0.000 1.092 290 H CA 1.729 57.518 56.048 -0.431 0.000 1.309 290 H CB -0.279 29.325 29.762 -0.263 0.000 1.382 290 H HN 0.441 nan 8.280 nan 0.000 0.535 291 D N 0.412 120.689 120.400 -0.205 0.000 2.182 291 D HA -0.119 4.522 4.640 0.002 0.000 0.201 291 D C 2.236 178.481 176.300 -0.090 0.000 0.986 291 D CA 0.292 54.209 54.000 -0.138 0.000 0.847 291 D CB -0.238 40.550 40.800 -0.019 0.000 0.942 291 D HN 0.146 nan 8.370 nan 0.000 0.467 292 L N 0.164 121.366 121.223 -0.034 0.000 2.081 292 L HA -0.204 4.137 4.340 0.002 0.000 0.212 292 L C 2.091 179.143 176.870 0.302 0.000 1.080 292 L CA 1.551 56.484 54.840 0.155 0.000 0.754 292 L CB -1.137 40.954 42.059 0.054 0.000 0.893 292 L HN 0.343 nan 8.230 nan 0.000 0.433 293 Y N -3.483 116.922 120.300 0.175 0.000 2.449 293 Y HA 0.332 4.883 4.550 0.002 0.000 0.254 293 Y C 1.698 177.685 175.900 0.144 0.000 1.140 293 Y CA -0.401 57.820 58.100 0.200 0.000 1.272 293 Y CB -0.535 38.028 38.460 0.172 0.000 1.114 293 Y HN 0.178 nan 8.280 nan 0.000 0.525 294 E N 1.070 121.191 120.200 -0.131 0.000 2.402 294 E HA 0.159 4.510 4.350 0.002 0.000 0.261 294 E C 2.047 178.656 176.600 0.016 0.000 0.823 294 E CA 0.363 56.721 56.400 -0.071 0.000 1.205 294 E CB -0.538 29.041 29.700 -0.202 0.000 1.431 294 E HN 0.367 nan 8.360 nan 0.000 0.518 295 G N 0.137 108.936 108.800 -0.003 0.000 2.650 295 G HA2 0.271 4.232 3.960 0.002 0.000 0.214 295 G HA3 0.271 4.232 3.960 0.002 0.000 0.214 295 G C 0.681 175.617 174.900 0.061 0.000 1.136 295 G CA 0.536 45.654 45.100 0.029 0.000 0.789 295 G HN 0.580 nan 8.290 nan 0.000 0.536 296 G N -0.608 108.245 108.800 0.087 0.000 2.698 296 G HA2 -0.103 3.858 3.960 0.002 0.000 0.225 296 G HA3 -0.103 3.858 3.960 0.002 0.000 0.225 296 G C -0.584 174.388 174.900 0.120 0.000 1.345 296 G CA -0.189 44.993 45.100 0.136 0.000 0.871 296 G HN 0.936 nan 8.290 nan 0.000 0.540 297 I N -0.466 120.185 120.570 0.134 0.000 2.545 297 I HA 0.687 4.858 4.170 0.002 0.000 0.292 297 I C -0.081 176.088 176.117 0.087 0.000 1.040 297 I CA -1.099 60.267 61.300 0.111 0.000 1.068 297 I CB 1.602 39.692 38.000 0.149 0.000 1.251 297 I HN 0.619 nan 8.210 nan 0.000 0.424 298 K N 7.614 128.053 120.400 0.066 0.000 2.284 298 K HA 0.396 4.717 4.320 0.002 0.000 0.287 298 K C -1.248 175.413 176.600 0.102 0.000 1.081 298 K CA -0.575 55.767 56.287 0.092 0.000 0.910 298 K CB 0.555 33.075 32.500 0.034 0.000 1.088 298 K HN 0.451 nan 8.250 nan 0.000 0.478 299 L N 5.666 126.969 121.223 0.134 0.000 2.334 299 L HA 0.528 4.870 4.340 0.002 0.000 0.270 299 L C -2.080 174.824 176.870 0.055 0.000 1.018 299 L CA -2.707 52.179 54.840 0.077 0.000 0.811 299 L CB 0.861 42.966 42.059 0.077 0.000 1.271 299 L HN 0.577 nan 8.230 nan 0.000 0.443 300 P HA 0.046 nan 4.420 nan 0.000 0.264 300 P C 0.550 177.705 177.300 -0.242 0.000 1.179 300 P CA 0.054 63.093 63.100 -0.100 0.000 0.763 300 P CB 0.647 32.327 31.700 -0.034 0.000 0.806 301 R N 2.373 122.640 120.500 -0.388 0.000 2.096 301 R HA -0.172 4.169 4.340 0.002 0.000 0.240 301 R C 1.891 178.096 176.300 -0.158 0.000 1.139 301 R CA 2.218 58.123 56.100 -0.325 0.000 0.952 301 R CB -0.701 29.452 30.300 -0.245 0.000 0.854 301 R HN 0.663 nan 8.270 nan 0.000 0.436 302 D N 0.367 120.703 120.400 -0.107 0.000 2.158 302 D HA -0.147 4.494 4.640 0.002 0.000 0.197 302 D C 1.836 178.097 176.300 -0.065 0.000 0.995 302 D CA 1.263 55.222 54.000 -0.068 0.000 0.846 302 D CB -0.330 40.443 40.800 -0.045 0.000 0.941 302 D HN 0.116 nan 8.370 nan 0.000 0.456 303 V N 1.520 121.396 119.914 -0.062 0.000 2.307 303 V HA -0.203 3.918 4.120 0.002 0.000 0.245 303 V C 2.695 178.742 176.094 -0.079 0.000 1.045 303 V CA 0.937 63.205 62.300 -0.054 0.000 1.024 303 V CB -0.310 31.519 31.823 0.011 0.000 0.651 303 V HN 0.184 nan 8.190 nan 0.000 0.449 304 I N 1.380 121.901 120.570 -0.082 0.000 2.286 304 I HA -0.173 3.998 4.170 0.002 0.000 0.248 304 I C 2.613 178.691 176.117 -0.065 0.000 1.115 304 I CA 2.135 63.388 61.300 -0.078 0.000 1.392 304 I CB -1.543 36.406 38.000 -0.086 0.000 1.065 304 I HN 0.515 nan 8.210 nan 0.000 0.418 305 S N -0.543 115.118 115.700 -0.066 0.000 2.481 305 S HA -0.077 4.394 4.470 0.002 0.000 0.231 305 S C 1.857 176.430 174.600 -0.047 0.000 0.996 305 S CA 1.119 59.290 58.200 -0.049 0.000 0.942 305 S CB -0.697 62.475 63.200 -0.047 0.000 0.768 305 S HN 0.398 nan 8.310 nan 0.000 0.520 306 T N 2.527 117.044 114.554 -0.061 0.000 2.851 306 T HA 0.244 4.595 4.350 0.002 0.000 0.262 306 T C 1.684 176.344 174.700 -0.066 0.000 1.043 306 T CA 0.896 62.956 62.100 -0.066 0.000 1.140 306 T CB -0.297 68.519 68.868 -0.086 0.000 0.872 306 T HN 0.336 nan 8.240 nan 0.000 0.446 307 I N 1.617 122.140 120.570 -0.078 0.000 2.163 307 I HA -0.069 4.102 4.170 0.002 0.000 0.240 307 I C 2.280 178.398 176.117 0.000 0.000 1.081 307 I CA 1.315 62.585 61.300 -0.050 0.000 1.353 307 I CB -0.306 37.642 38.000 -0.085 0.000 1.054 307 I HN 0.273 nan 8.210 nan 0.000 0.407 308 I N -1.144 119.426 120.570 -0.000 0.000 3.176 308 I HA -0.015 4.156 4.170 0.002 0.000 0.275 308 I C -0.993 175.129 176.117 0.009 0.000 1.298 308 I CA 0.297 61.608 61.300 0.018 0.000 1.445 308 I CB -1.534 36.476 38.000 0.016 0.000 1.075 308 I HN 0.127 nan 8.210 nan 0.000 0.482 309 P HA 0.058 nan 4.420 nan 0.000 0.224 309 P C 0.529 177.829 177.300 -0.000 0.000 1.157 309 P CA 0.725 63.824 63.100 -0.001 0.000 0.799 309 P CB 0.107 31.803 31.700 -0.006 0.000 0.809 310 L N 2.551 123.773 121.223 -0.001 0.000 2.500 310 L HA 0.090 4.431 4.340 0.002 0.000 0.272 310 L C -0.830 176.039 176.870 -0.002 0.000 1.149 310 L CA -1.244 53.593 54.840 -0.003 0.000 0.897 310 L CB 0.121 42.176 42.059 -0.007 0.000 1.178 310 L HN 0.015 nan 8.230 nan 0.000 0.473 311 P HA -0.159 nan 4.420 nan 0.000 0.216 311 P C 1.400 178.690 177.300 -0.017 0.000 1.150 311 P CA 1.192 64.290 63.100 -0.005 0.000 0.837 311 P CB 0.420 32.121 31.700 0.002 0.000 0.786 312 V N -0.122 119.777 119.914 -0.024 0.000 2.685 312 V HA -0.083 4.038 4.120 0.002 0.000 0.244 312 V C 2.659 178.717 176.094 -0.060 0.000 1.054 312 V CA 0.879 63.153 62.300 -0.043 0.000 1.076 312 V CB -0.746 31.052 31.823 -0.042 0.000 0.725 312 V HN -0.063 nan 8.190 nan 0.000 0.467 313 I N 1.695 122.241 120.570 -0.040 0.000 2.252 313 I HA -0.220 3.951 4.170 0.002 0.000 0.245 313 I C 2.546 178.639 176.117 -0.040 0.000 1.102 313 I CA 1.826 63.103 61.300 -0.040 0.000 1.385 313 I CB -1.292 36.722 38.000 0.023 0.000 1.064 313 I HN 0.518 nan 8.210 nan 0.000 0.414 314 K N 0.881 121.283 120.400 0.003 0.000 2.211 314 K HA -0.185 4.136 4.320 0.002 0.000 0.204 314 K C 1.550 178.133 176.600 -0.030 0.000 1.047 314 K CA 1.385 57.690 56.287 0.030 0.000 0.935 314 K CB -0.276 32.237 32.500 0.022 0.000 0.728 314 K HN 0.087 nan 8.250 nan 0.000 0.452 315 E N 0.837 120.987 120.200 -0.083 0.000 2.482 315 E HA 0.075 4.427 4.350 0.002 0.000 0.196 315 E C 1.379 177.857 176.600 -0.203 0.000 1.047 315 E CA 0.354 56.692 56.400 -0.104 0.000 0.869 315 E CB 0.039 29.690 29.700 -0.081 0.000 0.836 315 E HN 0.348 nan 8.360 nan 0.000 0.520 316 L N -0.565 120.424 121.223 -0.391 0.000 2.446 316 L HA 0.085 4.426 4.340 0.002 0.000 0.219 316 L C -0.219 176.178 176.870 -0.789 0.000 1.116 316 L CA 0.325 54.751 54.840 -0.691 0.000 0.844 316 L CB 0.019 41.442 42.059 -1.061 0.000 0.970 316 L HN 0.098 nan 8.230 nan 0.000 0.457 317 Y N -1.835 118.387 120.300 -0.131 0.000 2.644 317 Y HA 0.551 5.102 4.550 0.002 0.000 0.338 317 Y C -0.060 175.799 175.900 -0.069 0.000 1.119 317 Y CA -1.493 56.514 58.100 -0.156 0.000 1.060 317 Y CB 0.870 39.193 38.460 -0.230 0.000 1.294 317 Y HN -0.270 nan 8.280 nan 0.000 0.472 318 R N 0.603 121.189 120.500 0.143 0.000 2.474 318 R HA 0.686 5.027 4.340 0.002 0.000 0.295 318 R C -0.657 175.699 176.300 0.092 0.000 0.980 318 R CA -0.489 55.669 56.100 0.097 0.000 0.934 318 R CB 1.939 32.292 30.300 0.089 0.000 1.101 318 R HN 0.839 nan 8.270 nan 0.000 0.469 319 T N -0.495 114.100 114.554 0.068 0.000 2.864 319 T HA 0.149 4.500 4.350 0.002 0.000 0.299 319 T C -0.331 174.397 174.700 0.046 0.000 1.166 319 T CA -0.681 61.450 62.100 0.051 0.000 1.007 319 T CB 1.239 70.129 68.868 0.037 0.000 1.219 319 T HN 0.640 nan 8.240 nan 0.000 0.506 320 D N 0.528 120.955 120.400 0.046 0.000 2.358 320 D HA 0.245 4.886 4.640 0.002 0.000 0.224 320 D C 1.411 177.733 176.300 0.038 0.000 1.123 320 D CA 0.699 54.726 54.000 0.044 0.000 0.833 320 D CB -0.350 40.482 40.800 0.054 0.000 0.946 320 D HN 1.072 nan 8.370 nan 0.000 0.505 321 G N 0.881 109.697 108.800 0.028 0.000 2.347 321 G HA2 -0.371 3.590 3.960 0.002 0.000 0.247 321 G HA3 -0.371 3.590 3.960 0.002 0.000 0.247 321 G C 1.003 175.904 174.900 0.002 0.000 1.037 321 G CA 0.478 45.587 45.100 0.015 0.000 0.622 321 G HN 0.476 nan 8.290 nan 0.000 0.521 322 Q N -1.857 117.952 119.800 0.014 0.000 2.081 322 Q HA 0.282 4.623 4.340 0.002 0.000 0.220 322 Q C 1.004 176.956 176.000 -0.080 0.000 0.775 322 Q CA -0.055 55.733 55.803 -0.024 0.000 0.983 322 Q CB 0.801 29.552 28.738 0.022 0.000 1.188 322 Q HN 0.640 nan 8.270 nan 0.000 0.458 323 H N -1.771 117.300 119.070 0.002 0.000 2.423 323 H HA 0.169 4.726 4.556 0.002 0.000 0.162 323 H C -0.588 174.742 175.328 0.005 0.000 1.008 323 H CA 0.112 56.160 56.048 0.002 0.000 0.723 323 H CB 1.150 30.913 29.762 0.001 0.000 0.681 323 H HN -0.042 nan 8.280 nan 0.000 0.481 324 I N 2.057 122.704 120.570 0.128 0.000 2.530 324 I HA 0.299 4.470 4.170 0.002 0.000 0.297 324 I C -0.539 175.607 176.117 0.048 0.000 1.011 324 I CA -0.738 60.616 61.300 0.091 0.000 1.107 324 I CB 2.528 40.576 38.000 0.080 0.000 1.285 324 I HN -0.037 nan 8.210 nan 0.000 0.436 325 L N 7.077 128.321 121.223 0.035 0.000 2.385 325 L HA 0.520 4.861 4.340 0.002 0.000 0.273 325 L C -0.670 176.234 176.870 0.056 0.000 0.990 325 L CA -0.291 54.527 54.840 -0.037 0.000 0.821 325 L CB 1.398 43.351 42.059 -0.177 0.000 1.279 325 L HN 0.650 nan 8.230 nan 0.000 0.412 326 K N 2.496 122.956 120.400 0.101 0.000 2.469 326 K HA 0.649 4.970 4.320 0.002 0.000 0.254 326 K C -1.483 175.290 176.600 0.288 0.000 0.939 326 K CA -0.692 55.744 56.287 0.249 0.000 0.812 326 K CB 1.831 34.456 32.500 0.208 0.000 1.301 326 K HN 0.171 nan 8.250 nan 0.000 0.433 327 F N 1.638 121.769 119.950 0.301 0.000 2.403 327 F HA 0.413 4.941 4.527 0.002 0.000 0.326 327 F C -1.870 174.090 175.800 0.266 0.000 1.081 327 F CA -2.357 55.842 58.000 0.331 0.000 1.041 327 F CB 0.898 40.137 39.000 0.399 0.000 1.234 327 F HN 0.446 nan 8.300 nan 0.000 0.503 328 P HA -0.075 nan 4.420 nan 0.000 0.267 328 P C -1.079 176.380 177.300 0.266 0.000 1.200 328 P CA -0.300 62.929 63.100 0.214 0.000 0.772 328 P CB 0.586 32.311 31.700 0.041 0.000 0.855 329 Q N 4.249 124.101 119.800 0.088 0.000 2.286 329 Q HA 0.149 4.490 4.340 0.002 0.000 0.267 329 Q C -1.854 174.039 176.000 -0.178 0.000 1.028 329 Q CA -1.763 53.888 55.803 -0.253 0.000 0.901 329 Q CB 0.179 28.777 28.738 -0.234 0.000 1.183 329 Q HN 0.322 nan 8.270 nan 0.000 0.392 330 P HA -0.056 nan 4.420 nan 0.000 0.268 330 P C -0.404 176.766 177.300 -0.217 0.000 1.205 330 P CA 0.226 63.224 63.100 -0.169 0.000 0.771 330 P CB 0.680 32.140 31.700 -0.399 0.000 0.858 331 H N 1.095 120.008 119.070 -0.261 0.000 2.390 331 H HA -0.130 4.427 4.556 0.002 0.000 0.298 331 H C 1.797 176.909 175.328 -0.360 0.000 1.106 331 H CA 1.473 57.313 56.048 -0.347 0.000 1.297 331 H CB -0.791 28.630 29.762 -0.568 0.000 1.375 331 H HN 0.157 nan 8.280 nan 0.000 0.509 332 V N 1.060 120.819 119.914 -0.258 0.000 2.720 332 V HA -0.137 3.984 4.120 0.002 0.000 0.256 332 V C 1.783 177.835 176.094 -0.070 0.000 1.082 332 V CA 1.627 63.822 62.300 -0.176 0.000 1.101 332 V CB -0.345 31.405 31.823 -0.121 0.000 0.693 332 V HN 0.489 nan 8.190 nan 0.000 0.479 333 V N -3.635 116.211 119.914 -0.113 0.000 3.660 333 V HA 0.118 4.239 4.120 0.002 0.000 0.276 333 V C 1.914 177.972 176.094 -0.060 0.000 1.317 333 V CA 0.677 62.952 62.300 -0.041 0.000 1.097 333 V CB -0.204 31.601 31.823 -0.031 0.000 0.863 333 V HN 0.472 nan 8.190 nan 0.000 0.438 334 Q N 0.351 120.083 119.800 -0.113 0.000 2.376 334 Q HA -0.116 4.225 4.340 0.002 0.000 0.211 334 Q C 1.935 177.907 176.000 -0.047 0.000 0.986 334 Q CA 2.007 57.750 55.803 -0.100 0.000 0.886 334 Q CB 0.072 28.721 28.738 -0.148 0.000 0.927 334 Q HN 0.685 nan 8.270 nan 0.000 0.457 335 V N -1.863 118.036 119.914 -0.025 0.000 3.029 335 V HA 0.078 4.199 4.120 0.002 0.000 0.230 335 V C 0.287 176.385 176.094 0.008 0.000 1.254 335 V CA 0.393 62.690 62.300 -0.006 0.000 1.276 335 V CB 1.598 33.420 31.823 -0.001 0.000 1.080 335 V HN -0.006 nan 8.190 nan 0.000 0.495 336 S N 0.392 116.104 115.700 0.020 0.000 2.561 336 S HA 0.365 4.836 4.470 0.002 0.000 0.303 336 S C 0.215 174.855 174.600 0.068 0.000 1.110 336 S CA -0.506 57.713 58.200 0.031 0.000 1.034 336 S CB 1.786 65.002 63.200 0.027 0.000 1.010 336 S HN 0.489 nan 8.310 nan 0.000 0.482 337 Q N 3.092 122.932 119.800 0.066 0.000 2.280 337 Q HA 0.392 4.733 4.340 0.002 0.000 0.202 337 Q C 0.505 176.658 176.000 0.255 0.000 0.903 337 Q CA 0.335 56.220 55.803 0.137 0.000 0.948 337 Q CB 0.290 29.011 28.738 -0.028 0.000 1.058 337 Q HN 0.452 nan 8.270 nan 0.000 0.493 338 S N -0.691 115.085 115.700 0.125 0.000 2.649 338 S HA 0.342 4.813 4.470 0.002 0.000 0.246 338 S C 1.627 176.059 174.600 -0.279 0.000 1.057 338 S CA 0.012 58.176 58.200 -0.059 0.000 1.051 338 S CB 0.532 63.695 63.200 -0.061 0.000 1.018 338 S HN 0.476 nan 8.310 nan 0.000 0.569 339 A N 2.556 125.342 122.820 -0.055 0.000 2.019 339 A HA -0.091 4.230 4.320 0.002 0.000 0.219 339 A C 1.888 179.450 177.584 -0.037 0.000 1.164 339 A CA 1.262 53.270 52.037 -0.048 0.000 0.644 339 A CB -1.076 17.948 19.000 0.041 0.000 0.805 339 A HN 0.862 nan 8.150 nan 0.000 0.449 340 W N -0.776 120.526 121.300 0.004 0.000 2.387 340 W HA -0.159 4.502 4.660 0.002 0.000 0.272 340 W C 1.320 177.837 176.519 -0.004 0.000 1.224 340 W CA 1.144 58.492 57.345 0.005 0.000 1.210 340 W CB -0.998 28.439 29.460 -0.038 0.000 1.125 340 W HN 0.294 nan 8.180 nan 0.000 0.572 341 M N 1.647 120.744 119.600 -0.839 0.000 2.619 341 M HA -0.018 4.463 4.480 0.002 0.000 0.251 341 M C 0.959 177.094 176.300 -0.275 0.000 1.106 341 M CA 1.233 56.074 55.300 -0.765 0.000 1.086 341 M CB -0.483 31.535 32.600 -0.970 0.000 1.465 341 M HN -0.111 nan 8.290 nan 0.000 0.506 342 T N -2.384 112.089 114.554 -0.135 0.000 2.907 342 T HA 0.101 4.452 4.350 0.002 0.000 0.298 342 T C 0.501 175.256 174.700 0.091 0.000 1.017 342 T CA -0.730 61.358 62.100 -0.020 0.000 1.118 342 T CB 1.142 70.008 68.868 -0.004 0.000 0.948 342 T HN 0.042 nan 8.240 nan 0.000 0.531 343 D N 1.808 122.290 120.400 0.137 0.000 2.182 343 D HA -0.085 4.556 4.640 0.002 0.000 0.201 343 D C 1.821 178.275 176.300 0.258 0.000 0.986 343 D CA 1.235 55.389 54.000 0.257 0.000 0.847 343 D CB -0.070 40.888 40.800 0.263 0.000 0.942 343 D HN 0.746 nan 8.370 nan 0.000 0.467 344 E N 0.365 120.657 120.200 0.153 0.000 2.058 344 E HA -0.179 4.172 4.350 0.002 0.000 0.194 344 E C 1.932 178.604 176.600 0.120 0.000 0.997 344 E CA 1.069 57.538 56.400 0.114 0.000 0.801 344 E CB -0.159 29.584 29.700 0.072 0.000 0.746 344 E HN 0.180 nan 8.360 nan 0.000 0.450 345 E N -0.113 120.170 120.200 0.137 0.000 2.072 345 E HA -0.134 4.217 4.350 0.002 0.000 0.191 345 E C 1.688 178.383 176.600 0.158 0.000 0.985 345 E CA 0.651 57.135 56.400 0.139 0.000 0.801 345 E CB -0.391 29.403 29.700 0.157 0.000 0.750 345 E HN 0.266 nan 8.360 nan 0.000 0.452 346 F N 0.832 120.815 119.950 0.055 0.000 2.065 346 F HA -0.246 4.282 4.527 0.002 0.000 0.298 346 F C 2.024 177.831 175.800 0.012 0.000 1.112 346 F CA 2.233 60.258 58.000 0.042 0.000 1.212 346 F CB -0.785 38.250 39.000 0.058 0.000 0.975 346 F HN 0.099 nan 8.300 nan 0.000 0.476 347 A N 0.273 123.104 122.820 0.018 0.000 1.929 347 A HA -0.123 4.198 4.320 0.002 0.000 0.216 347 A C 2.411 179.896 177.584 -0.166 0.000 1.176 347 A CA 1.358 53.318 52.037 -0.129 0.000 0.628 347 A CB -0.817 18.204 19.000 0.036 0.000 0.816 347 A HN 0.471 nan 8.150 nan 0.000 0.444 348 R N -0.025 120.425 120.500 -0.084 0.000 2.081 348 R HA -0.140 4.201 4.340 0.002 0.000 0.235 348 R C 1.833 178.045 176.300 -0.146 0.000 1.131 348 R CA 1.670 57.713 56.100 -0.095 0.000 0.960 348 R CB -0.264 30.029 30.300 -0.012 0.000 0.856 348 R HN 0.647 nan 8.270 nan 0.000 0.436 349 E N -0.060 120.048 120.200 -0.155 0.000 2.333 349 E HA -0.186 4.165 4.350 0.002 0.000 0.198 349 E C 1.860 178.298 176.600 -0.271 0.000 1.007 349 E CA 1.050 57.304 56.400 -0.243 0.000 0.845 349 E CB -0.014 29.526 29.700 -0.266 0.000 0.766 349 E HN 0.443 nan 8.360 nan 0.000 0.507 350 M N 0.123 119.548 119.600 -0.291 0.000 2.374 350 M HA -0.067 4.414 4.480 0.002 0.000 0.264 350 M C 2.093 178.212 176.300 -0.302 0.000 1.067 350 M CA 1.108 56.234 55.300 -0.289 0.000 1.103 350 M CB 0.034 32.440 32.600 -0.323 0.000 1.402 350 M HN 0.202 nan 8.290 nan 0.000 0.444 351 I N -4.827 115.535 120.570 -0.346 0.000 4.139 351 I HA 0.407 4.578 4.170 0.002 0.000 0.335 351 I C 1.108 177.118 176.117 -0.178 0.000 1.327 351 I CA -0.017 61.029 61.300 -0.423 0.000 1.112 351 I CB 0.286 37.847 38.000 -0.733 0.000 1.058 351 I HN -0.008 nan 8.210 nan 0.000 0.396 352 A N 1.067 123.770 122.820 -0.196 0.000 2.622 352 A HA 0.708 5.029 4.320 0.002 0.000 0.283 352 A C 0.743 178.314 177.584 -0.023 0.000 0.998 352 A CA 0.135 52.036 52.037 -0.227 0.000 0.985 352 A CB -0.333 18.550 19.000 -0.195 0.000 1.236 352 A HN 0.398 nan 8.150 nan 0.000 0.559 353 G N -0.767 107.915 108.800 -0.195 0.000 2.702 353 G HA2 0.445 4.406 3.960 0.002 0.000 0.254 353 G HA3 0.445 4.406 3.960 0.002 0.000 0.254 353 G C 1.244 175.999 174.900 -0.242 0.000 1.380 353 G CA 0.404 45.185 45.100 -0.532 0.000 1.042 353 G HN 0.762 nan 8.290 nan 0.000 0.557 354 V N -1.835 117.883 119.914 -0.326 0.000 2.469 354 V HA -0.061 4.060 4.120 0.002 0.000 0.251 354 V C 1.124 177.104 176.094 -0.189 0.000 1.064 354 V CA 2.113 64.286 62.300 -0.212 0.000 1.066 354 V CB -0.570 30.982 31.823 -0.451 0.000 0.667 354 V HN 0.418 nan 8.190 nan 0.000 0.461 355 N N 1.280 119.892 118.700 -0.147 0.000 2.818 355 N HA 0.359 5.100 4.740 0.002 0.000 0.301 355 N C -1.945 173.542 175.510 -0.039 0.000 1.821 355 N CA -1.924 51.143 53.050 0.029 0.000 0.930 355 N CB 1.049 39.615 38.487 0.133 0.000 1.263 355 N HN 0.363 nan 8.380 nan 0.000 0.487 356 P HA 0.150 nan 4.420 nan 0.000 0.255 356 P C -0.086 177.189 177.300 -0.042 0.000 1.301 356 P CA 0.028 63.064 63.100 -0.106 0.000 0.817 356 P CB -0.526 31.121 31.700 -0.090 0.000 1.259 357 C N -2.901 116.367 119.300 -0.054 0.000 2.778 357 C HA 0.507 4.968 4.460 0.002 0.000 0.252 357 C C 1.270 176.315 174.990 0.091 0.000 1.693 357 C CA -0.513 58.541 59.018 0.059 0.000 1.724 357 C CB -1.092 26.630 27.740 -0.029 0.000 3.153 357 C HN 0.023 nan 8.230 nan 0.000 0.493 358 V N 0.378 120.312 119.914 0.033 0.000 3.612 358 V HA 0.236 4.357 4.120 0.002 0.000 0.268 358 V C 1.065 177.104 176.094 -0.091 0.000 1.365 358 V CA 0.200 62.467 62.300 -0.054 0.000 1.044 358 V CB 0.029 31.761 31.823 -0.152 0.000 0.820 358 V HN 0.697 nan 8.190 nan 0.000 0.444 359 I N 1.791 122.325 120.570 -0.060 0.000 2.752 359 I HA 0.147 4.318 4.170 0.002 0.000 0.287 359 I C 0.395 176.539 176.117 0.044 0.000 1.188 359 I CA 0.446 61.711 61.300 -0.059 0.000 1.427 359 I CB 0.263 38.179 38.000 -0.140 0.000 1.365 359 I HN 0.217 nan 8.210 nan 0.000 0.585 360 R N 4.331 124.878 120.500 0.078 0.000 2.854 360 R HA 0.495 4.837 4.340 0.002 0.000 0.271 360 R C -0.513 175.907 176.300 0.200 0.000 0.994 360 R CA -0.941 55.229 56.100 0.116 0.000 0.945 360 R CB 1.810 32.122 30.300 0.020 0.000 1.194 360 R HN 0.763 nan 8.270 nan 0.000 0.476 361 G N 1.389 110.255 108.800 0.110 0.000 2.353 361 G HA2 0.358 4.319 3.960 0.002 0.000 0.284 361 G HA3 0.358 4.319 3.960 0.002 0.000 0.284 361 G C -0.957 173.836 174.900 -0.179 0.000 1.172 361 G CA -0.364 44.617 45.100 -0.198 0.000 0.854 361 G HN 0.221 nan 8.290 nan 0.000 0.485 362 L N 1.633 122.706 121.223 -0.250 0.000 2.292 362 L HA 0.420 4.761 4.340 0.002 0.000 0.284 362 L C 0.856 177.657 176.870 -0.116 0.000 1.065 362 L CA 0.082 54.856 54.840 -0.110 0.000 0.806 362 L CB 1.245 43.288 42.059 -0.028 0.000 1.175 362 L HN 0.740 nan 8.230 nan 0.000 0.431 363 E N 2.696 122.862 120.200 -0.057 0.000 2.539 363 E HA 0.121 4.472 4.350 0.002 0.000 0.215 363 E C -0.685 175.916 176.600 0.003 0.000 0.965 363 E CA 0.051 56.426 56.400 -0.041 0.000 1.019 363 E CB 0.786 30.460 29.700 -0.043 0.000 1.059 363 E HN 0.750 nan 8.360 nan 0.000 0.496 364 E N -0.095 120.123 120.200 0.029 0.000 2.390 364 E HA 0.481 4.832 4.350 0.002 0.000 0.277 364 E C -1.394 175.276 176.600 0.118 0.000 0.939 364 E CA -0.922 55.512 56.400 0.057 0.000 0.769 364 E CB 1.749 31.458 29.700 0.015 0.000 1.251 364 E HN -0.105 nan 8.360 nan 0.000 0.450 365 F N 1.352 121.290 119.950 -0.020 0.000 2.569 365 F HA 0.519 5.047 4.527 0.002 0.000 0.312 365 F C -2.475 173.318 175.800 -0.012 0.000 1.109 365 F CA -1.816 56.174 58.000 -0.016 0.000 0.919 365 F CB 1.751 40.745 39.000 -0.009 0.000 1.211 365 F HN 0.431 nan 8.300 nan 0.000 0.446 366 P HA 0.235 nan 4.420 nan 0.000 0.270 366 P C -2.676 174.276 177.300 -0.580 0.000 1.223 366 P CA -0.821 61.645 63.100 -1.056 0.000 0.785 366 P CB -0.143 31.169 31.700 -0.647 0.000 0.923 367 P HA 0.003 nan 4.420 nan 0.000 0.264 367 P C -0.449 176.720 177.300 -0.218 0.000 1.183 367 P CA 0.450 63.391 63.100 -0.265 0.000 0.763 367 P CB 0.537 32.111 31.700 -0.210 0.000 0.807 368 K N 1.242 121.559 120.400 -0.139 0.000 2.118 368 K HA 0.436 4.758 4.320 0.002 0.000 0.254 368 K C 0.297 176.851 176.600 -0.077 0.000 0.961 368 K CA -0.535 55.691 56.287 -0.101 0.000 0.876 368 K CB 1.759 34.221 32.500 -0.064 0.000 1.077 368 K HN 0.386 nan 8.250 nan 0.000 0.440 369 S N 0.553 116.220 115.700 -0.054 0.000 2.593 369 S HA 0.330 4.801 4.470 0.002 0.000 0.297 369 S C 0.059 174.674 174.600 0.025 0.000 1.112 369 S CA -0.568 57.630 58.200 -0.002 0.000 1.043 369 S CB 0.659 63.869 63.200 0.016 0.000 1.054 369 S HN 0.513 nan 8.310 nan 0.000 0.516 370 N N 1.620 120.348 118.700 0.047 0.000 2.187 370 N HA 0.359 5.100 4.740 0.002 0.000 0.212 370 N C -0.598 174.955 175.510 0.071 0.000 1.152 370 N CA -0.086 52.994 53.050 0.051 0.000 0.872 370 N CB 0.103 38.617 38.487 0.046 0.000 1.025 370 N HN 0.487 nan 8.380 nan 0.000 0.514 371 L N 0.454 121.725 121.223 0.080 0.000 2.439 371 L HA 0.119 4.460 4.340 0.002 0.000 0.269 371 L C 0.453 177.435 176.870 0.187 0.000 1.179 371 L CA -0.422 54.487 54.840 0.116 0.000 0.828 371 L CB 0.367 42.429 42.059 0.005 0.000 1.106 371 L HN 0.118 nan 8.230 nan 0.000 0.467 372 D N 3.273 123.829 120.400 0.259 0.000 2.382 372 D HA 0.059 4.700 4.640 0.002 0.000 0.259 372 D C -1.643 174.747 176.300 0.150 0.000 1.224 372 D CA -1.445 52.655 54.000 0.167 0.000 0.894 372 D CB 1.261 42.131 40.800 0.117 0.000 1.127 372 D HN 0.164 nan 8.370 nan 0.000 0.487 373 P HA -0.199 nan 4.420 nan 0.000 0.216 373 P C 0.944 178.263 177.300 0.030 0.000 1.154 373 P CA 1.877 65.019 63.100 0.069 0.000 0.865 373 P CB 0.092 31.820 31.700 0.045 0.000 0.789 374 A N -1.547 121.275 122.820 0.004 0.000 2.019 374 A HA -0.144 4.177 4.320 0.002 0.000 0.219 374 A C 2.103 179.632 177.584 -0.091 0.000 1.164 374 A CA 1.474 53.492 52.037 -0.033 0.000 0.644 374 A CB -1.289 17.693 19.000 -0.030 0.000 0.805 374 A HN 0.192 nan 8.150 nan 0.000 0.449 375 I N -3.796 116.677 120.570 -0.163 0.000 3.616 375 I HA 0.045 4.216 4.170 0.002 0.000 0.296 375 I C 1.361 177.167 176.117 -0.519 0.000 1.226 375 I CA 0.555 61.617 61.300 -0.396 0.000 1.394 375 I CB 0.322 37.975 38.000 -0.577 0.000 1.171 375 I HN 0.294 nan 8.210 nan 0.000 0.442 376 Y N 1.003 121.306 120.300 0.005 0.000 2.445 376 Y HA 0.441 4.992 4.550 0.002 0.000 0.247 376 Y C 1.477 177.391 175.900 0.023 0.000 1.129 376 Y CA 0.117 58.225 58.100 0.014 0.000 1.251 376 Y CB 0.087 38.562 38.460 0.025 0.000 1.176 376 Y HN 0.162 nan 8.280 nan 0.000 0.522 377 G N 0.808 109.679 108.800 0.118 0.000 2.562 377 G HA2 -0.342 3.619 3.960 0.002 0.000 0.250 377 G HA3 -0.342 3.619 3.960 0.002 0.000 0.250 377 G C -0.746 174.213 174.900 0.099 0.000 1.269 377 G CA -0.098 45.053 45.100 0.085 0.000 0.919 377 G HN 0.279 nan 8.290 nan 0.000 0.574 378 D N 0.801 121.245 120.400 0.073 0.000 2.351 378 D HA 0.514 5.155 4.640 0.002 0.000 0.251 378 D C 0.259 176.605 176.300 0.076 0.000 1.137 378 D CA 0.292 54.328 54.000 0.059 0.000 0.879 378 D CB 0.506 41.328 40.800 0.036 0.000 1.181 378 D HN 0.329 nan 8.370 nan 0.000 0.448 379 Q N 2.341 122.179 119.800 0.063 0.000 3.244 379 Q HA 0.291 4.632 4.340 0.002 0.000 0.249 379 Q C -1.227 174.746 176.000 -0.046 0.000 0.951 379 Q CA -0.448 55.397 55.803 0.069 0.000 0.740 379 Q CB 1.241 30.069 28.738 0.151 0.000 1.334 379 Q HN 0.308 nan 8.270 nan 0.000 0.448 380 S N 0.120 115.777 115.700 -0.072 0.000 2.542 380 S HA 0.423 4.894 4.470 0.002 0.000 0.293 380 S C -0.161 174.346 174.600 -0.156 0.000 1.089 380 S CA -0.561 57.569 58.200 -0.117 0.000 0.961 380 S CB 2.139 65.296 63.200 -0.072 0.000 1.062 380 S HN 0.345 nan 8.310 nan 0.000 0.483 381 S N 0.960 116.535 115.700 -0.208 0.000 2.537 381 S HA 0.107 4.578 4.470 0.002 0.000 0.286 381 S C 0.740 175.258 174.600 -0.136 0.000 1.299 381 S CA -0.121 57.956 58.200 -0.204 0.000 1.067 381 S CB 0.081 63.111 63.200 -0.284 0.000 0.864 381 S HN 0.605 nan 8.310 nan 0.000 0.494 382 K N 3.925 124.281 120.400 -0.073 0.000 2.417 382 K HA 0.227 4.548 4.320 0.002 0.000 0.196 382 K C -0.044 176.562 176.600 0.011 0.000 1.023 382 K CA 0.055 56.327 56.287 -0.024 0.000 1.122 382 K CB 0.013 32.514 32.500 0.002 0.000 0.850 382 K HN 0.623 nan 8.250 nan 0.000 0.521 383 I N 2.337 122.911 120.570 0.008 0.000 2.556 383 I HA -0.038 4.133 4.170 0.002 0.000 0.284 383 I C 0.231 176.472 176.117 0.207 0.000 1.114 383 I CA 0.329 61.699 61.300 0.117 0.000 1.418 383 I CB 0.800 38.910 38.000 0.183 0.000 1.394 383 I HN 0.008 nan 8.210 nan 0.000 0.552 384 T N 4.699 119.380 114.554 0.211 0.000 2.795 384 T HA 0.360 4.711 4.350 0.002 0.000 0.282 384 T C 1.047 175.860 174.700 0.188 0.000 0.980 384 T CA -0.619 61.606 62.100 0.209 0.000 1.012 384 T CB 1.925 70.853 68.868 0.100 0.000 0.936 384 T HN 0.708 nan 8.240 nan 0.000 0.457 385 A N 2.739 125.649 122.820 0.151 0.000 1.940 385 A HA -0.160 4.161 4.320 0.002 0.000 0.219 385 A C 2.071 179.585 177.584 -0.118 0.000 1.176 385 A CA 1.726 53.663 52.037 -0.166 0.000 0.631 385 A CB -0.602 18.264 19.000 -0.223 0.000 0.814 385 A HN 0.970 nan 8.150 nan 0.000 0.446 386 D N 0.306 120.680 120.400 -0.043 0.000 2.264 386 D HA -0.117 4.524 4.640 0.002 0.000 0.208 386 D C 1.601 177.873 176.300 -0.047 0.000 0.966 386 D CA 1.393 55.365 54.000 -0.046 0.000 0.864 386 D CB -0.470 40.317 40.800 -0.021 0.000 0.933 386 D HN 0.538 nan 8.370 nan 0.000 0.499 387 S N -0.099 115.583 115.700 -0.030 0.000 2.562 387 S HA 0.066 4.537 4.470 0.002 0.000 0.221 387 S C 0.754 175.319 174.600 -0.058 0.000 0.975 387 S CA -0.267 57.914 58.200 -0.031 0.000 0.918 387 S CB -0.039 63.162 63.200 0.002 0.000 0.772 387 S HN 0.032 nan 8.310 nan 0.000 0.531 388 L N 3.227 124.397 121.223 -0.088 0.000 2.281 388 L HA 0.403 4.744 4.340 0.002 0.000 0.285 388 L C -0.051 176.725 176.870 -0.156 0.000 1.074 388 L CA -0.326 54.442 54.840 -0.120 0.000 0.817 388 L CB 0.747 42.706 42.059 -0.167 0.000 1.168 388 L HN 0.024 nan 8.230 nan 0.000 0.434 389 D N 4.031 124.338 120.400 -0.154 0.000 2.435 389 D HA 0.099 4.740 4.640 0.002 0.000 0.230 389 D C -0.206 175.930 176.300 -0.274 0.000 1.215 389 D CA -0.259 53.637 54.000 -0.173 0.000 0.947 389 D CB 0.388 41.105 40.800 -0.138 0.000 1.048 389 D HN 0.149 nan 8.370 nan 0.000 0.512 390 L N 3.590 124.573 121.223 -0.400 0.000 2.934 390 L HA 0.176 4.517 4.340 0.002 0.000 0.233 390 L C 0.465 176.873 176.870 -0.769 0.000 1.358 390 L CA -0.023 54.283 54.840 -0.889 0.000 1.233 390 L CB -1.239 40.260 42.059 -0.934 0.000 1.594 390 L HN 0.433 nan 8.230 nan 0.000 0.439 391 D N 1.615 121.804 120.400 -0.352 0.000 2.782 391 D HA -0.248 4.393 4.640 0.002 0.000 0.231 391 D C 1.411 177.728 176.300 0.028 0.000 1.163 391 D CA 1.235 55.183 54.000 -0.087 0.000 0.680 391 D CB -0.623 40.219 40.800 0.070 0.000 1.062 391 D HN 0.779 nan 8.370 nan 0.000 0.425 392 G N -1.757 107.029 108.800 -0.024 0.000 2.238 392 G HA2 -0.323 3.638 3.960 0.002 0.000 0.217 392 G HA3 -0.323 3.638 3.960 0.002 0.000 0.217 392 G C 0.166 175.060 174.900 -0.009 0.000 0.996 392 G CA 0.006 45.102 45.100 -0.006 0.000 0.632 392 G HN 0.344 nan 8.290 nan 0.000 0.503 393 Y N 2.539 122.737 120.300 -0.170 0.000 2.326 393 Y HA 0.491 5.043 4.550 0.002 0.000 0.333 393 Y C 1.565 177.372 175.900 -0.156 0.000 1.240 393 Y CA 0.487 58.511 58.100 -0.128 0.000 1.365 393 Y CB 0.807 39.204 38.460 -0.105 0.000 1.289 393 Y HN 0.288 nan 8.280 nan 0.000 0.548 394 T N -0.813 113.758 114.554 0.028 0.000 2.927 394 T HA 0.237 4.588 4.350 0.002 0.000 0.281 394 T C 1.071 175.766 174.700 -0.009 0.000 0.998 394 T CA -0.921 61.164 62.100 -0.025 0.000 1.019 394 T CB 1.018 69.864 68.868 -0.036 0.000 1.061 394 T HN 0.672 nan 8.240 nan 0.000 0.518 395 M N 1.157 120.711 119.600 -0.077 0.000 2.082 395 M HA -0.101 4.380 4.480 0.002 0.000 0.258 395 M C 1.278 177.560 176.300 -0.029 0.000 1.069 395 M CA 1.883 57.114 55.300 -0.114 0.000 1.102 395 M CB -1.483 31.003 32.600 -0.190 0.000 1.336 395 M HN 0.804 nan 8.290 nan 0.000 0.404 396 D N -0.334 120.062 120.400 -0.007 0.000 2.123 396 D HA -0.169 4.472 4.640 0.002 0.000 0.196 396 D C 1.900 178.231 176.300 0.051 0.000 0.992 396 D CA 1.804 55.815 54.000 0.018 0.000 0.833 396 D CB -0.153 40.653 40.800 0.009 0.000 0.954 396 D HN 0.569 nan 8.370 nan 0.000 0.455 397 E N 0.348 120.593 120.200 0.076 0.000 2.017 397 E HA -0.175 4.176 4.350 0.002 0.000 0.193 397 E C 2.194 178.963 176.600 0.280 0.000 0.997 397 E CA 1.069 57.559 56.400 0.150 0.000 0.804 397 E CB -0.166 29.604 29.700 0.117 0.000 0.757 397 E HN 0.246 nan 8.360 nan 0.000 0.448 398 A N 0.854 123.871 122.820 0.327 0.000 1.908 398 A HA -0.205 4.116 4.320 0.002 0.000 0.218 398 A C 2.149 179.800 177.584 0.111 0.000 1.181 398 A CA 1.254 53.452 52.037 0.268 0.000 0.627 398 A CB -0.572 18.562 19.000 0.224 0.000 0.818 398 A HN 0.149 nan 8.150 nan 0.000 0.445 399 L N -0.405 120.856 121.223 0.063 0.000 2.027 399 L HA -0.002 4.339 4.340 0.002 0.000 0.206 399 L C 2.687 179.565 176.870 0.012 0.000 1.074 399 L CA 2.001 56.849 54.840 0.013 0.000 0.745 399 L CB -0.967 41.104 42.059 0.020 0.000 0.898 399 L HN 0.374 nan 8.230 nan 0.000 0.433 400 G N -1.658 107.167 108.800 0.043 0.000 2.422 400 G HA2 -0.249 3.712 3.960 0.002 0.000 0.218 400 G HA3 -0.249 3.712 3.960 0.002 0.000 0.218 400 G C 1.481 176.408 174.900 0.045 0.000 1.146 400 G CA 0.953 46.076 45.100 0.039 0.000 0.769 400 G HN 0.518 nan 8.290 nan 0.000 0.547 401 S N -0.232 115.518 115.700 0.082 0.000 2.603 401 S HA 0.183 4.654 4.470 0.002 0.000 0.220 401 S C 1.041 175.650 174.600 0.016 0.000 0.967 401 S CA 0.052 58.300 58.200 0.081 0.000 0.920 401 S CB 0.150 63.458 63.200 0.180 0.000 0.773 401 S HN 0.279 nan 8.310 nan 0.000 0.529 402 R N 0.807 121.287 120.500 -0.035 0.000 3.332 402 R HA -0.127 4.214 4.340 0.002 0.000 0.263 402 R C -0.362 175.835 176.300 -0.172 0.000 1.053 402 R CA 0.523 56.546 56.100 -0.128 0.000 0.705 402 R CB -2.256 27.998 30.300 -0.076 0.000 1.166 402 R HN 0.647 nan 8.270 nan 0.000 0.427 403 R N -0.406 119.995 120.500 -0.167 0.000 2.509 403 R HA 0.220 4.561 4.340 0.002 0.000 0.300 403 R C 0.060 176.260 176.300 -0.167 0.000 0.985 403 R CA -0.416 55.560 56.100 -0.205 0.000 1.092 403 R CB 0.541 30.540 30.300 -0.502 0.000 1.237 403 R HN -0.123 nan 8.270 nan 0.000 0.546 404 L N 0.905 121.969 121.223 -0.266 0.000 2.333 404 L HA 0.506 4.847 4.340 0.002 0.000 0.280 404 L C -1.078 175.541 176.870 -0.419 0.000 1.004 404 L CA -0.526 54.243 54.840 -0.118 0.000 0.820 404 L CB 1.085 43.137 42.059 -0.012 0.000 1.247 404 L HN -0.139 nan 8.230 nan 0.000 0.416 405 F N 4.219 124.175 119.950 0.010 0.000 2.620 405 F HA 0.785 5.313 4.527 0.002 0.000 0.320 405 F C 0.071 175.873 175.800 0.004 0.000 1.069 405 F CA -0.731 57.260 58.000 -0.015 0.000 0.953 405 F CB 2.071 41.031 39.000 -0.067 0.000 1.322 405 F HN 0.412 nan 8.300 nan 0.000 0.479 406 M N 2.262 121.954 119.600 0.154 0.000 2.569 406 M HA 0.582 5.063 4.480 0.002 0.000 0.279 406 M C -2.438 173.851 176.300 -0.018 0.000 1.253 406 M CA -0.743 54.600 55.300 0.072 0.000 0.867 406 M CB 2.804 35.434 32.600 0.050 0.000 1.727 406 M HN 0.504 nan 8.290 nan 0.000 0.467 407 L N 2.948 124.131 121.223 -0.066 0.000 2.337 407 L HA 0.504 4.845 4.340 0.002 0.000 0.269 407 L C -1.609 175.108 176.870 -0.256 0.000 1.018 407 L CA 0.141 54.857 54.840 -0.207 0.000 0.876 407 L CB 0.804 42.772 42.059 -0.152 0.000 1.236 407 L HN 0.916 nan 8.230 nan 0.000 0.436 408 D N 3.611 123.796 120.400 -0.358 0.000 2.427 408 D HA 0.187 4.828 4.640 0.002 0.000 0.226 408 D C -0.279 175.832 176.300 -0.315 0.000 1.076 408 D CA -0.126 53.739 54.000 -0.226 0.000 0.849 408 D CB 0.754 41.488 40.800 -0.109 0.000 1.052 408 D HN 0.340 nan 8.370 nan 0.000 0.515 409 Y N 1.722 122.086 120.300 0.106 0.000 2.555 409 Y HA 0.131 4.682 4.550 0.002 0.000 0.259 409 Y C 1.659 177.719 175.900 0.266 0.000 1.179 409 Y CA -0.305 57.916 58.100 0.201 0.000 1.230 409 Y CB -0.254 38.307 38.460 0.168 0.000 1.146 409 Y HN 0.589 nan 8.280 nan 0.000 0.526 410 H N 0.671 119.869 119.070 0.213 0.000 2.253 410 H HA -0.162 4.395 4.556 0.002 0.000 0.296 410 H C 1.472 176.884 175.328 0.141 0.000 1.074 410 H CA 2.610 58.752 56.048 0.157 0.000 1.263 410 H CB 0.227 30.030 29.762 0.069 0.000 1.363 410 H HN 0.119 nan 8.280 nan 0.000 0.489 411 D N -0.194 120.324 120.400 0.196 0.000 2.219 411 D HA -0.101 4.540 4.640 0.002 0.000 0.205 411 D C 2.339 178.693 176.300 0.091 0.000 0.970 411 D CA 0.980 55.032 54.000 0.086 0.000 0.851 411 D CB -0.075 40.788 40.800 0.104 0.000 0.943 411 D HN 0.502 nan 8.370 nan 0.000 0.488 412 I N -0.445 120.251 120.570 0.210 0.000 2.233 412 I HA -0.219 3.952 4.170 0.002 0.000 0.243 412 I C 1.845 178.018 176.117 0.092 0.000 1.093 412 I CA 0.961 62.387 61.300 0.210 0.000 1.380 412 I CB -0.130 38.116 38.000 0.410 0.000 1.067 412 I HN -0.119 nan 8.210 nan 0.000 0.413 413 F N -0.577 119.456 119.950 0.137 0.000 2.530 413 F HA -0.028 4.500 4.527 0.001 0.000 0.292 413 F C 2.319 178.130 175.800 0.018 0.000 1.109 413 F CA 0.513 58.578 58.000 0.109 0.000 1.450 413 F CB -0.291 38.765 39.000 0.092 0.000 1.114 413 F HN -0.020 nan 8.300 nan 0.000 0.560 414 M N 1.730 121.337 119.600 0.012 0.000 2.108 414 M HA -0.089 4.392 4.480 0.002 0.000 0.261 414 M C -0.942 175.246 176.300 -0.187 0.000 1.066 414 M CA 1.925 57.121 55.300 -0.172 0.000 1.107 414 M CB -1.738 30.594 32.600 -0.447 0.000 1.356 414 M HN -0.184 nan 8.290 nan 0.000 0.406 415 P HA -0.167 nan 4.420 nan 0.000 0.221 415 P C 0.675 177.764 177.300 -0.351 0.000 1.145 415 P CA 1.598 64.554 63.100 -0.240 0.000 0.795 415 P CB -0.317 31.253 31.700 -0.216 0.000 0.775 416 Y N -1.613 118.637 120.300 -0.084 0.000 2.481 416 Y HA 0.041 4.592 4.550 0.002 0.000 0.258 416 Y C 2.432 178.276 175.900 -0.093 0.000 1.103 416 Y CA 0.058 58.079 58.100 -0.132 0.000 1.287 416 Y CB -0.525 37.847 38.460 -0.147 0.000 1.108 416 Y HN -0.313 nan 8.280 nan 0.000 0.529 417 V N 0.298 120.268 119.914 0.094 0.000 2.324 417 V HA -0.357 3.764 4.120 0.002 0.000 0.250 417 V C 2.437 178.536 176.094 0.009 0.000 1.060 417 V CA 2.317 64.660 62.300 0.071 0.000 1.042 417 V CB -0.450 31.399 31.823 0.043 0.000 0.650 417 V HN 0.284 nan 8.190 nan 0.000 0.450 418 R N -0.594 119.893 120.500 -0.022 0.000 2.096 418 R HA -0.187 4.154 4.340 0.002 0.000 0.235 418 R C 2.386 178.667 176.300 -0.031 0.000 1.127 418 R CA 1.584 57.669 56.100 -0.026 0.000 0.968 418 R CB -0.114 30.171 30.300 -0.024 0.000 0.861 418 R HN 0.604 nan 8.270 nan 0.000 0.440 419 Q N -0.212 119.535 119.800 -0.088 0.000 2.083 419 Q HA -0.056 4.285 4.340 0.002 0.000 0.198 419 Q C 2.061 178.075 176.000 0.024 0.000 0.969 419 Q CA 1.519 57.252 55.803 -0.116 0.000 0.838 419 Q CB 0.012 28.468 28.738 -0.470 0.000 0.900 419 Q HN 0.352 nan 8.270 nan 0.000 0.436 420 I N 1.060 121.653 120.570 0.038 0.000 2.163 420 I HA -0.289 3.882 4.170 0.002 0.000 0.243 420 I C 1.394 177.581 176.117 0.116 0.000 1.085 420 I CA 0.923 62.322 61.300 0.165 0.000 1.347 420 I CB -0.286 37.819 38.000 0.174 0.000 1.044 420 I HN 0.220 nan 8.210 nan 0.000 0.408 421 N N 0.590 119.323 118.700 0.055 0.000 2.520 421 N HA -0.149 4.592 4.740 0.002 0.000 0.185 421 N C 1.525 177.054 175.510 0.031 0.000 1.068 421 N CA 0.805 53.868 53.050 0.021 0.000 0.911 421 N CB -0.151 38.320 38.487 -0.027 0.000 0.961 421 N HN 0.486 nan 8.380 nan 0.000 0.446 422 Q N -0.355 119.479 119.800 0.055 0.000 2.425 422 Q HA 0.155 4.496 4.340 0.002 0.000 0.204 422 Q C -0.068 175.977 176.000 0.074 0.000 0.933 422 Q CA 0.041 55.879 55.803 0.058 0.000 0.939 422 Q CB 0.395 29.171 28.738 0.064 0.000 1.044 422 Q HN 0.345 nan 8.270 nan 0.000 0.513 423 L N 1.654 122.935 121.223 0.097 0.000 2.417 423 L HA 0.098 4.439 4.340 0.002 0.000 0.268 423 L C 0.384 177.283 176.870 0.048 0.000 1.158 423 L CA -0.597 54.293 54.840 0.083 0.000 0.819 423 L CB 0.226 42.349 42.059 0.108 0.000 1.112 423 L HN 0.036 nan 8.230 nan 0.000 0.458 424 N N 0.890 119.608 118.700 0.030 0.000 2.483 424 N HA -0.011 4.730 4.740 0.002 0.000 0.264 424 N C 0.161 175.678 175.510 0.012 0.000 1.197 424 N CA 0.611 53.671 53.050 0.017 0.000 0.927 424 N CB 0.514 39.007 38.487 0.009 0.000 1.065 424 N HN 0.602 nan 8.380 nan 0.000 0.461 425 S N -0.236 115.469 115.700 0.009 0.000 3.672 425 S HA -0.124 4.348 4.470 0.002 0.000 0.319 425 S C -0.696 173.909 174.600 0.007 0.000 1.151 425 S CA 0.749 58.950 58.200 0.001 0.000 0.911 425 S CB -1.914 61.278 63.200 -0.013 0.000 0.939 425 S HN 0.990 nan 8.310 nan 0.000 0.524 426 A N 0.196 123.029 122.820 0.022 0.000 2.402 426 A HA 0.814 5.135 4.320 0.002 0.000 0.291 426 A C -0.587 177.014 177.584 0.029 0.000 1.051 426 A CA -0.617 51.441 52.037 0.035 0.000 0.716 426 A CB 1.579 20.615 19.000 0.061 0.000 1.223 426 A HN 0.140 nan 8.150 nan 0.000 0.425 427 K N 0.702 121.116 120.400 0.024 0.000 2.565 427 K HA 0.740 5.061 4.320 0.002 0.000 0.251 427 K C -0.784 175.802 176.600 -0.024 0.000 0.956 427 K CA 0.007 56.281 56.287 -0.023 0.000 0.809 427 K CB 2.184 34.667 32.500 -0.029 0.000 1.267 427 K HN 0.783 nan 8.250 nan 0.000 0.438 428 T N 1.499 115.985 114.554 -0.112 0.000 2.812 428 T HA 0.677 5.028 4.350 0.002 0.000 0.294 428 T C -1.684 172.822 174.700 -0.323 0.000 1.159 428 T CA -0.476 61.569 62.100 -0.090 0.000 1.008 428 T CB 0.474 69.365 68.868 0.039 0.000 1.289 428 T HN 0.329 nan 8.240 nan 0.000 0.514 429 Y N -0.004 120.196 120.300 -0.166 0.000 2.570 429 Y HA 0.708 5.260 4.550 0.002 0.000 0.345 429 Y C 0.325 176.159 175.900 -0.110 0.000 1.014 429 Y CA -1.085 56.913 58.100 -0.170 0.000 1.063 429 Y CB 1.907 40.194 38.460 -0.288 0.000 1.272 429 Y HN 0.787 nan 8.280 nan 0.000 0.477 430 A N 1.318 124.213 122.820 0.125 0.000 2.328 430 A HA 0.624 4.945 4.320 0.002 0.000 0.284 430 A C -0.031 177.638 177.584 0.142 0.000 1.160 430 A CA -0.237 51.854 52.037 0.090 0.000 0.818 430 A CB -0.134 18.861 19.000 -0.008 0.000 1.087 430 A HN 0.700 nan 8.150 nan 0.000 0.504 431 T N 0.493 115.133 114.554 0.143 0.000 2.932 431 T HA 0.778 5.129 4.350 0.002 0.000 0.289 431 T C -0.314 174.501 174.700 0.190 0.000 1.039 431 T CA -0.854 61.340 62.100 0.156 0.000 1.024 431 T CB 1.360 70.304 68.868 0.127 0.000 1.090 431 T HN 0.664 nan 8.240 nan 0.000 0.496 432 R N 0.480 121.063 120.500 0.139 0.000 2.628 432 R HA 0.648 4.989 4.340 0.002 0.000 0.288 432 R C -1.051 175.317 176.300 0.114 0.000 0.980 432 R CA -0.738 55.421 56.100 0.097 0.000 0.891 432 R CB 2.473 32.806 30.300 0.055 0.000 1.188 432 R HN 0.780 nan 8.270 nan 0.000 0.450 433 T N 3.661 118.282 114.554 0.112 0.000 2.848 433 T HA 0.480 4.831 4.350 0.002 0.000 0.285 433 T C -0.344 174.455 174.700 0.164 0.000 0.995 433 T CA -0.653 61.552 62.100 0.175 0.000 0.970 433 T CB 1.244 70.233 68.868 0.202 0.000 0.976 433 T HN 0.216 nan 8.240 nan 0.000 0.441 434 I N 3.778 124.478 120.570 0.217 0.000 2.412 434 I HA 0.512 4.683 4.170 0.002 0.000 0.296 434 I C -0.497 175.759 176.117 0.232 0.000 0.987 434 I CA -0.876 60.555 61.300 0.219 0.000 1.180 434 I CB 1.378 39.534 38.000 0.261 0.000 1.340 434 I HN 0.505 nan 8.210 nan 0.000 0.455 435 L N 5.965 127.319 121.223 0.220 0.000 2.381 435 L HA 0.495 4.836 4.340 0.002 0.000 0.268 435 L C -0.743 176.287 176.870 0.267 0.000 0.997 435 L CA -0.529 54.443 54.840 0.221 0.000 0.818 435 L CB 2.342 44.490 42.059 0.148 0.000 1.310 435 L HN 0.346 nan 8.230 nan 0.000 0.416 436 F N 3.143 123.143 119.950 0.083 0.000 2.469 436 F HA 0.633 5.161 4.527 0.002 0.000 0.332 436 F C -0.865 174.954 175.800 0.031 0.000 1.103 436 F CA -0.987 57.033 58.000 0.034 0.000 0.979 436 F CB 1.577 40.553 39.000 -0.039 0.000 1.137 436 F HN 0.283 nan 8.300 nan 0.000 0.463 437 L N 7.276 127.993 121.223 -0.843 0.000 2.261 437 L HA 0.468 4.809 4.340 0.002 0.000 0.289 437 L C -0.166 176.137 176.870 -0.946 0.000 1.059 437 L CA -0.053 54.417 54.840 -0.618 0.000 0.816 437 L CB 0.303 42.173 42.059 -0.314 0.000 1.191 437 L HN 0.649 nan 8.230 nan 0.000 0.431 438 R N 3.282 123.525 120.500 -0.428 0.000 2.707 438 R HA 0.136 4.477 4.340 0.002 0.000 0.270 438 R C 0.941 177.162 176.300 -0.131 0.000 1.083 438 R CA -0.574 55.423 56.100 -0.171 0.000 1.182 438 R CB 0.481 30.797 30.300 0.026 0.000 1.084 438 R HN 0.586 nan 8.270 nan 0.000 0.528 439 E N 1.518 121.722 120.200 0.007 0.000 2.273 439 E HA -0.206 4.145 4.350 0.002 0.000 0.198 439 E C 0.633 177.242 176.600 0.015 0.000 1.002 439 E CA 1.391 57.815 56.400 0.039 0.000 0.828 439 E CB -0.043 29.728 29.700 0.118 0.000 0.747 439 E HN 0.620 nan 8.360 nan 0.000 0.491 440 D N -0.913 119.491 120.400 0.007 0.000 2.325 440 D HA 0.049 4.690 4.640 0.002 0.000 0.225 440 D C 1.188 177.476 176.300 -0.021 0.000 1.096 440 D CA 0.613 54.615 54.000 0.003 0.000 0.844 440 D CB 0.332 41.141 40.800 0.015 0.000 0.925 440 D HN 0.176 nan 8.370 nan 0.000 0.513 441 G N 1.333 110.101 108.800 -0.053 0.000 2.184 441 G HA2 -0.304 3.657 3.960 0.002 0.000 0.264 441 G HA3 -0.304 3.657 3.960 0.002 0.000 0.264 441 G C 0.551 175.394 174.900 -0.095 0.000 0.975 441 G CA 0.788 45.843 45.100 -0.076 0.000 0.642 441 G HN 0.675 nan 8.290 nan 0.000 0.536 442 T N -1.108 113.399 114.554 -0.078 0.000 2.927 442 T HA 0.759 5.110 4.350 0.002 0.000 0.281 442 T C 0.363 175.001 174.700 -0.102 0.000 0.998 442 T CA -0.899 61.154 62.100 -0.079 0.000 1.019 442 T CB 2.335 71.185 68.868 -0.030 0.000 1.061 442 T HN 0.425 nan 8.240 nan 0.000 0.518 443 L N 0.989 122.150 121.223 -0.103 0.000 2.343 443 L HA 0.564 4.905 4.340 0.002 0.000 0.275 443 L C 0.341 177.223 176.870 0.021 0.000 1.056 443 L CA -0.873 53.915 54.840 -0.086 0.000 0.804 443 L CB 1.450 43.419 42.059 -0.150 0.000 1.203 443 L HN 0.692 nan 8.230 nan 0.000 0.440 444 K N 4.465 124.919 120.400 0.091 0.000 2.413 444 K HA 0.437 4.758 4.320 0.002 0.000 0.257 444 K C -2.603 174.127 176.600 0.217 0.000 0.946 444 K CA -1.760 54.624 56.287 0.161 0.000 0.823 444 K CB 2.059 34.681 32.500 0.203 0.000 1.109 444 K HN 0.168 nan 8.250 nan 0.000 0.427 445 P HA 0.015 nan 4.420 nan 0.000 0.279 445 P C 0.642 178.131 177.300 0.315 0.000 1.318 445 P CA -0.328 63.022 63.100 0.417 0.000 0.819 445 P CB 1.019 33.144 31.700 0.709 0.000 0.927 446 V N 1.292 121.351 119.914 0.242 0.000 3.174 446 V HA 0.563 4.684 4.120 0.002 0.000 0.254 446 V C 0.651 176.820 176.094 0.126 0.000 1.120 446 V CA 0.667 63.029 62.300 0.104 0.000 1.114 446 V CB -0.592 31.269 31.823 0.064 0.000 0.756 446 V HN 0.573 nan 8.190 nan 0.000 0.467 447 A N -0.205 122.792 122.820 0.295 0.000 2.577 447 A HA 0.793 5.114 4.320 0.002 0.000 0.297 447 A C -1.301 176.511 177.584 0.379 0.000 1.060 447 A CA -0.466 51.766 52.037 0.325 0.000 0.697 447 A CB 1.391 20.520 19.000 0.217 0.000 1.281 447 A HN 0.247 nan 8.150 nan 0.000 0.402 448 I N 1.373 122.167 120.570 0.374 0.000 2.436 448 I HA 0.399 4.570 4.170 0.002 0.000 0.289 448 I C -0.119 176.075 176.117 0.127 0.000 1.010 448 I CA -0.229 61.191 61.300 0.200 0.000 1.098 448 I CB 1.993 40.020 38.000 0.046 0.000 1.266 448 I HN 0.827 nan 8.210 nan 0.000 0.434 449 E N 7.482 127.735 120.200 0.088 0.000 2.158 449 E HA 0.518 4.870 4.350 0.002 0.000 0.271 449 E C -1.546 175.063 176.600 0.014 0.000 0.911 449 E CA -0.636 55.793 56.400 0.048 0.000 0.767 449 E CB 1.320 31.049 29.700 0.047 0.000 1.120 449 E HN 0.517 nan 8.360 nan 0.000 0.405 450 L N 3.527 124.705 121.223 -0.075 0.000 2.287 450 L HA 0.438 4.779 4.340 0.002 0.000 0.287 450 L C -0.517 176.359 176.870 0.011 0.000 1.022 450 L CA -0.587 54.131 54.840 -0.203 0.000 0.814 450 L CB 1.689 43.291 42.059 -0.762 0.000 1.217 450 L HN 0.459 nan 8.230 nan 0.000 0.420 451 S N 4.051 119.862 115.700 0.185 0.000 2.536 451 S HA 0.757 5.228 4.470 0.002 0.000 0.298 451 S C -0.503 174.233 174.600 0.228 0.000 1.083 451 S CA -0.650 57.689 58.200 0.232 0.000 0.995 451 S CB 2.285 65.664 63.200 0.299 0.000 1.058 451 S HN 0.364 nan 8.310 nan 0.000 0.488 452 L N 3.063 124.384 121.223 0.163 0.000 2.341 452 L HA 0.597 4.938 4.340 0.002 0.000 0.267 452 L C -2.155 174.746 176.870 0.052 0.000 1.009 452 L CA -2.473 52.404 54.840 0.060 0.000 0.819 452 L CB 2.266 44.334 42.059 0.015 0.000 1.323 452 L HN 0.407 nan 8.230 nan 0.000 0.425 462 A N 1.906 124.792 122.820 0.110 0.000 2.444 462 A HA 0.544 4.865 4.320 0.002 0.000 0.273 462 A C 0.269 177.915 177.584 0.103 0.000 1.136 462 A CA -0.067 52.048 52.037 0.129 0.000 0.799 462 A CB -0.239 18.878 19.000 0.195 0.000 1.081 462 A HN 1.581 nan 8.150 nan 0.000 0.509 463 V N 3.678 123.650 119.914 0.097 0.000 2.508 463 V HA 0.342 4.463 4.120 0.002 0.000 0.281 463 V C 0.572 176.729 176.094 0.106 0.000 1.041 463 V CA 0.369 62.722 62.300 0.087 0.000 1.016 463 V CB 0.846 32.717 31.823 0.080 0.000 0.984 463 V HN 0.931 nan 8.190 nan 0.000 0.478 464 S N 4.309 120.060 115.700 0.085 0.000 2.599 464 S HA 0.743 5.215 4.470 0.002 0.000 0.287 464 S C -0.919 173.712 174.600 0.053 0.000 1.105 464 S CA -0.927 57.319 58.200 0.077 0.000 0.899 464 S CB 2.080 65.314 63.200 0.057 0.000 1.100 464 S HN 0.837 nan 8.310 nan 0.000 0.482 465 Q N -0.047 119.768 119.800 0.025 0.000 2.315 465 Q HA 0.706 5.047 4.340 0.002 0.000 0.273 465 Q C -1.750 174.256 176.000 0.010 0.000 1.053 465 Q CA -0.955 54.858 55.803 0.017 0.000 0.817 465 Q CB 1.364 30.106 28.738 0.007 0.000 1.326 465 Q HN 0.347 nan 8.270 nan 0.000 0.423 466 V N 2.384 122.322 119.914 0.040 0.000 2.407 466 V HA 0.387 4.508 4.120 0.002 0.000 0.278 466 V C -0.298 175.852 176.094 0.093 0.000 1.037 466 V CA -0.614 61.727 62.300 0.068 0.000 0.900 466 V CB 1.556 33.425 31.823 0.076 0.000 0.983 466 V HN 0.666 nan 8.190 nan 0.000 0.459 467 V N 6.230 126.232 119.914 0.147 0.000 2.384 467 V HA 0.445 4.566 4.120 0.002 0.000 0.287 467 V C -0.193 176.089 176.094 0.314 0.000 1.020 467 V CA -0.626 61.808 62.300 0.223 0.000 0.850 467 V CB 1.441 33.410 31.823 0.244 0.000 0.987 467 V HN 0.496 nan 8.190 nan 0.000 0.436 468 L N 6.018 127.325 121.223 0.139 0.000 2.387 468 L HA 0.615 4.956 4.340 0.002 0.000 0.266 468 L C -2.253 174.334 176.870 -0.472 0.000 1.059 468 L CA -2.405 52.383 54.840 -0.087 0.000 0.801 468 L CB 0.867 42.862 42.059 -0.105 0.000 1.223 468 L HN 0.368 nan 8.230 nan 0.000 0.456 469 P HA 0.263 nan 4.420 nan 0.000 0.266 469 P C -1.161 175.745 177.300 -0.658 0.000 1.195 469 P CA -0.001 62.219 63.100 -1.467 0.000 0.768 469 P CB 0.657 31.659 31.700 -1.163 0.000 0.838 470 A N 2.567 125.078 122.820 -0.515 0.000 2.488 470 A HA 0.365 4.686 4.320 0.002 0.000 0.298 470 A C 0.404 177.894 177.584 -0.157 0.000 1.044 470 A CA -0.575 51.325 52.037 -0.227 0.000 0.693 470 A CB 1.310 20.247 19.000 -0.106 0.000 1.272 470 A HN 0.420 nan 8.150 nan 0.000 0.402 471 K N 0.424 120.750 120.400 -0.123 0.000 2.356 471 K HA 0.102 4.424 4.320 0.002 0.000 0.195 471 K C 0.158 176.712 176.600 -0.075 0.000 1.037 471 K CA 1.185 57.417 56.287 -0.092 0.000 1.014 471 K CB 0.374 32.822 32.500 -0.086 0.000 0.815 471 K HN 0.860 nan 8.250 nan 0.000 0.507 472 E N -0.876 119.284 120.200 -0.068 0.000 2.412 472 E HA 0.507 4.858 4.350 0.002 0.000 0.279 472 E C -0.297 176.272 176.600 -0.050 0.000 0.984 472 E CA -0.986 55.376 56.400 -0.064 0.000 0.788 472 E CB 1.736 31.403 29.700 -0.056 0.000 1.277 472 E HN 0.037 nan 8.360 nan 0.000 0.455 473 G N -0.168 108.601 108.800 -0.051 0.000 2.728 473 G HA2 -0.239 3.722 3.960 0.002 0.000 0.294 473 G HA3 -0.239 3.722 3.960 0.002 0.000 0.294 473 G C 0.631 175.506 174.900 -0.042 0.000 1.342 473 G CA -0.305 44.773 45.100 -0.036 0.000 0.866 473 G HN 0.779 nan 8.290 nan 0.000 0.534 474 V N -0.060 119.831 119.914 -0.039 0.000 2.380 474 V HA -0.191 3.930 4.120 0.002 0.000 0.251 474 V C 2.713 178.783 176.094 -0.040 0.000 1.063 474 V CA 3.139 65.389 62.300 -0.084 0.000 1.055 474 V CB -0.952 30.791 31.823 -0.133 0.000 0.657 474 V HN 0.765 nan 8.190 nan 0.000 0.455 475 E N 1.609 121.810 120.200 0.001 0.000 2.118 475 E HA -0.193 4.158 4.350 0.002 0.000 0.195 475 E C 2.412 179.046 176.600 0.056 0.000 0.992 475 E CA 1.758 58.178 56.400 0.034 0.000 0.804 475 E CB -0.601 29.110 29.700 0.019 0.000 0.741 475 E HN 0.829 nan 8.360 nan 0.000 0.458 476 S N -0.433 115.280 115.700 0.021 0.000 2.383 476 S HA -0.124 4.347 4.470 0.002 0.000 0.227 476 S C 2.058 176.710 174.600 0.088 0.000 1.026 476 S CA 1.421 59.651 58.200 0.050 0.000 0.981 476 S CB -0.688 62.499 63.200 -0.022 0.000 0.818 476 S HN 0.182 nan 8.310 nan 0.000 0.472 477 T N 2.766 117.340 114.554 0.034 0.000 2.821 477 T HA 0.167 4.518 4.350 0.002 0.000 0.267 477 T C 1.716 176.473 174.700 0.094 0.000 1.046 477 T CA 1.273 63.411 62.100 0.063 0.000 1.139 477 T CB -0.462 68.426 68.868 0.033 0.000 0.871 477 T HN 0.384 nan 8.240 nan 0.000 0.454 478 I N 0.097 120.718 120.570 0.085 0.000 2.226 478 I HA -0.158 4.013 4.170 0.002 0.000 0.245 478 I C 2.461 178.671 176.117 0.156 0.000 1.100 478 I CA 1.180 62.547 61.300 0.111 0.000 1.374 478 I CB -0.303 37.761 38.000 0.107 0.000 1.057 478 I HN 0.451 nan 8.210 nan 0.000 0.413 479 W N 1.622 122.917 121.300 -0.008 0.000 2.358 479 W HA -0.274 4.387 4.660 0.002 0.000 0.303 479 W C 2.367 178.857 176.519 -0.047 0.000 1.208 479 W CA 1.188 58.511 57.345 -0.036 0.000 1.274 479 W CB -0.185 29.239 29.460 -0.060 0.000 1.138 479 W HN 0.144 nan 8.180 nan 0.000 0.515 480 L N 1.456 122.679 121.223 -0.000 0.000 2.012 480 L HA -0.230 4.111 4.340 0.002 0.000 0.210 480 L C 2.502 179.374 176.870 0.002 0.000 1.073 480 L CA 2.008 56.819 54.840 -0.047 0.000 0.748 480 L CB -1.159 40.963 42.059 0.105 0.000 0.891 480 L HN -0.019 nan 8.230 nan 0.000 0.431 481 L N -0.908 120.331 121.223 0.027 0.000 2.056 481 L HA -0.166 4.175 4.340 0.002 0.000 0.207 481 L C 2.689 179.420 176.870 -0.232 0.000 1.078 481 L CA 1.109 55.877 54.840 -0.119 0.000 0.749 481 L CB -0.970 41.071 42.059 -0.031 0.000 0.901 481 L HN 0.374 nan 8.230 nan 0.000 0.433 482 A N 0.301 123.064 122.820 -0.094 0.000 1.908 482 A HA -0.240 4.081 4.320 0.002 0.000 0.218 482 A C 2.310 179.740 177.584 -0.258 0.000 1.181 482 A CA 1.795 53.795 52.037 -0.060 0.000 0.627 482 A CB -0.389 18.504 19.000 -0.179 0.000 0.818 482 A HN 0.347 nan 8.150 nan 0.000 0.445 483 K N -0.415 119.638 120.400 -0.579 0.000 2.147 483 K HA -0.027 4.294 4.320 0.002 0.000 0.205 483 K C 2.229 178.731 176.600 -0.162 0.000 1.049 483 K CA 0.960 56.869 56.287 -0.630 0.000 0.936 483 K CB -0.282 31.566 32.500 -1.087 0.000 0.722 483 K HN 0.468 nan 8.250 nan 0.000 0.446 484 A N 0.702 123.415 122.820 -0.179 0.000 1.930 484 A HA -0.144 4.177 4.320 0.002 0.000 0.217 484 A C 1.774 179.234 177.584 -0.207 0.000 1.175 484 A CA 1.109 53.022 52.037 -0.206 0.000 0.627 484 A CB -0.596 18.087 19.000 -0.528 0.000 0.815 484 A HN 0.209 nan 8.150 nan 0.000 0.443 485 Y N -0.027 120.233 120.300 -0.067 0.000 2.145 485 Y HA -0.165 4.386 4.550 0.002 0.000 0.286 485 Y C 2.634 178.512 175.900 -0.038 0.000 1.145 485 Y CA 1.205 59.284 58.100 -0.036 0.000 1.148 485 Y CB -0.980 37.478 38.460 -0.003 0.000 0.981 485 Y HN 0.078 nan 8.280 nan 0.000 0.507 486 V N -0.021 119.994 119.914 0.168 0.000 2.332 486 V HA -0.300 3.821 4.120 0.002 0.000 0.248 486 V C 2.171 178.348 176.094 0.139 0.000 1.055 486 V CA 1.536 63.946 62.300 0.183 0.000 1.038 486 V CB -0.591 31.422 31.823 0.317 0.000 0.651 486 V HN 0.340 nan 8.190 nan 0.000 0.450 487 I N -0.521 120.135 120.570 0.143 0.000 2.761 487 I HA -0.086 4.085 4.170 0.002 0.000 0.261 487 I C 2.378 178.504 176.117 0.015 0.000 1.198 487 I CA 1.015 62.368 61.300 0.089 0.000 1.482 487 I CB -0.952 37.120 38.000 0.120 0.000 1.100 487 I HN 0.170 nan 8.210 nan 0.000 0.445 488 V N 1.319 121.222 119.914 -0.018 0.000 2.295 488 V HA -0.280 3.841 4.120 0.002 0.000 0.246 488 V C 2.218 178.263 176.094 -0.080 0.000 1.049 488 V CA 1.832 64.113 62.300 -0.032 0.000 1.024 488 V CB -0.847 30.964 31.823 -0.020 0.000 0.648 488 V HN 0.470 nan 8.190 nan 0.000 0.447 489 N N -0.046 118.496 118.700 -0.264 0.000 2.061 489 N HA -0.269 4.472 4.740 0.002 0.000 0.193 489 N C 1.693 176.872 175.510 -0.552 0.000 1.030 489 N CA 1.919 54.540 53.050 -0.715 0.000 0.856 489 N CB -0.181 37.843 38.487 -0.771 0.000 1.023 489 N HN 0.579 nan 8.380 nan 0.000 0.424 490 D N 0.153 120.367 120.400 -0.311 0.000 2.097 490 D HA -0.061 4.580 4.640 0.002 0.000 0.195 490 D C 1.900 178.275 176.300 0.126 0.000 0.989 490 D CA 1.060 55.012 54.000 -0.080 0.000 0.827 490 D CB 0.153 41.018 40.800 0.108 0.000 0.966 490 D HN 0.039 nan 8.370 nan 0.000 0.456 491 S N -0.754 115.036 115.700 0.150 0.000 2.359 491 S HA -0.232 4.239 4.470 0.002 0.000 0.223 491 S C 2.300 177.153 174.600 0.422 0.000 1.039 491 S CA 1.149 59.534 58.200 0.307 0.000 1.042 491 S CB -0.635 62.728 63.200 0.272 0.000 0.915 491 S HN 0.491 nan 8.310 nan 0.000 0.439 492 C N 0.143 119.671 119.300 0.381 0.000 2.432 492 C HA -0.083 4.378 4.460 0.002 0.000 0.277 492 C C 2.373 177.476 174.990 0.188 0.000 1.249 492 C CA 0.540 59.749 59.018 0.317 0.000 1.725 492 C CB -1.367 26.648 27.740 0.457 0.000 2.028 492 C HN 0.672 nan 8.230 nan 0.000 0.477 493 Y N 0.391 120.772 120.300 0.134 0.000 2.224 493 Y HA -0.197 4.354 4.550 0.002 0.000 0.289 493 Y C 2.819 178.795 175.900 0.127 0.000 1.146 493 Y CA 2.183 60.352 58.100 0.114 0.000 1.182 493 Y CB -0.730 37.803 38.460 0.120 0.000 0.983 493 Y HN 0.511 nan 8.280 nan 0.000 0.524 494 H N -0.538 118.686 119.070 0.256 0.000 2.321 494 H HA -0.189 4.368 4.556 0.002 0.000 0.300 494 H C 2.031 177.411 175.328 0.087 0.000 1.087 494 H CA 2.006 58.166 56.048 0.188 0.000 1.319 494 H CB -0.024 29.829 29.762 0.152 0.000 1.379 494 H HN 0.348 nan 8.280 nan 0.000 0.501 495 Q N 0.679 120.448 119.800 -0.052 0.000 2.046 495 Q HA -0.037 4.304 4.340 0.002 0.000 0.200 495 Q C 2.713 178.605 176.000 -0.179 0.000 0.975 495 Q CA 1.586 57.277 55.803 -0.186 0.000 0.836 495 Q CB -0.198 28.218 28.738 -0.536 0.000 0.896 495 Q HN 0.542 nan 8.270 nan 0.000 0.428 496 L N -1.379 119.719 121.223 -0.208 0.000 2.102 496 L HA -0.027 4.314 4.340 0.002 0.000 0.202 496 L C 2.017 178.812 176.870 -0.125 0.000 1.076 496 L CA 0.630 55.385 54.840 -0.141 0.000 0.761 496 L CB -0.240 41.702 42.059 -0.195 0.000 0.921 496 L HN 0.246 nan 8.230 nan 0.000 0.444 497 M N -0.817 118.595 119.600 -0.313 0.000 2.384 497 M HA 0.004 4.485 4.480 0.002 0.000 0.258 497 M C 2.456 178.636 176.300 -0.199 0.000 1.130 497 M CA 1.379 56.450 55.300 -0.382 0.000 1.187 497 M CB -0.485 31.514 32.600 -1.003 0.000 1.307 497 M HN -0.057 nan 8.290 nan 0.000 0.468 498 S N -0.713 114.906 115.700 -0.135 0.000 2.382 498 S HA -0.160 4.311 4.470 0.002 0.000 0.228 498 S C 1.963 176.569 174.600 0.009 0.000 1.027 498 S CA 1.405 59.623 58.200 0.030 0.000 0.991 498 S CB -0.505 62.771 63.200 0.126 0.000 0.823 498 S HN 0.537 nan 8.310 nan 0.000 0.469 499 H N -1.397 117.530 119.070 -0.238 0.000 2.368 499 H HA 0.034 4.591 4.556 0.002 0.000 0.311 499 H C 2.090 177.394 175.328 -0.040 0.000 1.042 499 H CA 0.385 56.338 56.048 -0.158 0.000 1.377 499 H CB -0.270 29.276 29.762 -0.360 0.000 1.473 499 H HN 0.495 nan 8.280 nan 0.000 0.593 500 W N 1.539 122.629 121.300 -0.350 0.000 2.380 500 W HA -0.200 4.462 4.660 0.002 0.000 0.317 500 W C 1.990 178.392 176.519 -0.196 0.000 1.196 500 W CA 1.116 58.223 57.345 -0.398 0.000 1.307 500 W CB -0.412 28.839 29.460 -0.348 0.000 1.157 500 W HN 0.301 nan 8.180 nan 0.000 0.483 501 L N 2.188 123.118 121.223 -0.489 0.000 1.973 501 L HA -0.161 4.180 4.340 0.002 0.000 0.208 501 L C 1.914 178.576 176.870 -0.348 0.000 1.073 501 L CA 2.320 56.849 54.840 -0.518 0.000 0.746 501 L CB -1.491 40.412 42.059 -0.260 0.000 0.891 501 L HN -0.154 nan 8.230 nan 0.000 0.433 502 N N -0.965 117.671 118.700 -0.107 0.000 2.453 502 N HA -0.112 4.629 4.740 0.002 0.000 0.183 502 N C 1.456 177.043 175.510 0.128 0.000 1.041 502 N CA 1.481 54.592 53.050 0.102 0.000 0.900 502 N CB -0.259 38.353 38.487 0.208 0.000 0.961 502 N HN 0.741 nan 8.380 nan 0.000 0.443 503 T N -3.710 110.866 114.554 0.037 0.000 3.238 503 T HA 0.112 4.463 4.350 0.002 0.000 0.242 503 T C 1.609 176.264 174.700 -0.076 0.000 0.980 503 T CA -0.013 62.134 62.100 0.077 0.000 1.235 503 T CB -0.223 68.774 68.868 0.216 0.000 1.069 503 T HN 0.064 nan 8.240 nan 0.000 0.407 504 H N 1.583 120.435 119.070 -0.363 0.000 2.267 504 H HA 0.095 4.652 4.556 0.002 0.000 0.297 504 H C 2.747 177.719 175.328 -0.594 0.000 1.080 504 H CA 1.711 57.450 56.048 -0.515 0.000 1.278 504 H CB -0.316 28.968 29.762 -0.797 0.000 1.365 504 H HN 0.539 nan 8.280 nan 0.000 0.489 505 A N 1.121 123.447 122.820 -0.824 0.000 1.898 505 A HA -0.026 4.295 4.320 0.002 0.000 0.216 505 A C 2.616 179.964 177.584 -0.392 0.000 1.181 505 A CA 1.381 53.014 52.037 -0.673 0.000 0.620 505 A CB -0.707 17.698 19.000 -0.992 0.000 0.819 505 A HN 0.452 nan 8.150 nan 0.000 0.442 506 A N -1.425 121.216 122.820 -0.298 0.000 1.969 506 A HA -0.048 4.273 4.320 0.002 0.000 0.218 506 A C 2.099 179.837 177.584 0.255 0.000 1.169 506 A CA 2.059 54.072 52.037 -0.040 0.000 0.635 506 A CB -0.383 18.647 19.000 0.050 0.000 0.810 506 A HN 0.476 nan 8.150 nan 0.000 0.445 507 M N -0.561 119.162 119.600 0.204 0.000 2.334 507 M HA 0.058 4.539 4.480 0.002 0.000 0.266 507 M C 1.746 178.152 176.300 0.178 0.000 1.082 507 M CA 1.491 57.005 55.300 0.357 0.000 1.141 507 M CB -0.381 32.358 32.600 0.231 0.000 1.380 507 M HN 0.555 nan 8.290 nan 0.000 0.440 508 E N -0.223 119.977 120.200 0.001 0.000 2.097 508 E HA -0.204 4.147 4.350 0.002 0.000 0.196 508 E C -0.964 175.579 176.600 -0.095 0.000 1.000 508 E CA 1.414 57.785 56.400 -0.049 0.000 0.804 508 E CB -0.846 28.828 29.700 -0.043 0.000 0.740 508 E HN 0.333 nan 8.360 nan 0.000 0.454 509 P HA -0.180 nan 4.420 nan 0.000 0.216 509 P C 0.719 177.906 177.300 -0.189 0.000 1.153 509 P CA 1.371 64.318 63.100 -0.256 0.000 0.858 509 P CB -0.103 31.174 31.700 -0.706 0.000 0.789 510 F N -1.498 118.501 119.950 0.083 0.000 2.259 510 F HA -0.103 4.425 4.527 0.002 0.000 0.298 510 F C 2.285 178.066 175.800 -0.032 0.000 1.088 510 F CA 0.784 58.874 58.000 0.150 0.000 1.358 510 F CB -1.562 37.641 39.000 0.339 0.000 1.040 510 F HN -0.253 nan 8.300 nan 0.000 0.505 511 V N 0.389 120.194 119.914 -0.182 0.000 2.307 511 V HA -0.275 3.846 4.120 0.002 0.000 0.245 511 V C 2.308 178.377 176.094 -0.041 0.000 1.045 511 V CA 1.741 63.754 62.300 -0.480 0.000 1.024 511 V CB -0.599 31.014 31.823 -0.350 0.000 0.651 511 V HN 0.261 nan 8.190 nan 0.000 0.449 512 I N 0.690 121.253 120.570 -0.011 0.000 2.226 512 I HA -0.211 3.960 4.170 0.002 0.000 0.245 512 I C 2.674 178.816 176.117 0.042 0.000 1.100 512 I CA 1.512 62.796 61.300 -0.027 0.000 1.374 512 I CB -0.657 37.120 38.000 -0.370 0.000 1.057 512 I HN 0.263 nan 8.210 nan 0.000 0.413 513 A N 0.423 123.358 122.820 0.191 0.000 1.933 513 A HA -0.193 4.128 4.320 0.002 0.000 0.218 513 A C 2.387 180.309 177.584 0.563 0.000 1.175 513 A CA 2.389 54.658 52.037 0.386 0.000 0.628 513 A CB -1.071 18.087 19.000 0.264 0.000 0.814 513 A HN 0.407 nan 8.150 nan 0.000 0.444 514 T N -0.913 113.951 114.554 0.517 0.000 2.708 514 T HA -0.125 4.226 4.350 0.002 0.000 0.266 514 T C 1.832 176.580 174.700 0.080 0.000 1.037 514 T CA 1.478 63.790 62.100 0.354 0.000 1.146 514 T CB -0.440 68.583 68.868 0.258 0.000 0.865 514 T HN 0.615 nan 8.240 nan 0.000 0.435 515 H N 1.029 120.090 119.070 -0.015 0.000 2.395 515 H HA 0.137 4.694 4.556 0.002 0.000 0.299 515 H C 2.559 177.786 175.328 -0.168 0.000 1.070 515 H CA 0.974 56.901 56.048 -0.201 0.000 1.356 515 H CB 0.023 29.173 29.762 -1.020 0.000 1.401 515 H HN 0.286 nan 8.280 nan 0.000 0.524 516 R N -0.381 120.088 120.500 -0.052 0.000 2.148 516 R HA -0.089 4.252 4.340 0.002 0.000 0.227 516 R C 1.347 177.432 176.300 -0.358 0.000 1.103 516 R CA 1.008 56.998 56.100 -0.183 0.000 0.983 516 R CB 0.150 30.329 30.300 -0.202 0.000 0.874 516 R HN 0.437 nan 8.270 nan 0.000 0.451 517 H N -1.935 117.243 119.070 0.180 0.000 3.205 517 H HA 0.197 4.754 4.556 0.002 0.000 0.252 517 H C -0.430 174.952 175.328 0.090 0.000 1.015 517 H CA -0.079 56.081 56.048 0.186 0.000 1.192 517 H CB 0.752 30.703 29.762 0.316 0.000 1.474 517 H HN -0.065 nan 8.280 nan 0.000 0.484 518 L N 1.901 123.205 121.223 0.135 0.000 2.280 518 L HA 0.237 4.579 4.340 0.002 0.000 0.287 518 L C 0.593 177.423 176.870 -0.065 0.000 1.023 518 L CA -0.168 54.645 54.840 -0.044 0.000 0.819 518 L CB 1.542 43.524 42.059 -0.129 0.000 1.212 518 L HN -0.054 nan 8.230 nan 0.000 0.420 519 S N 1.958 117.575 115.700 -0.137 0.000 2.566 519 S HA 0.073 4.544 4.470 0.002 0.000 0.280 519 S C 1.704 175.927 174.600 -0.627 0.000 1.343 519 S CA -0.032 57.995 58.200 -0.288 0.000 1.036 519 S CB 0.732 63.801 63.200 -0.218 0.000 0.866 519 S HN 0.549 nan 8.310 nan 0.000 0.526 520 V N 3.994 123.411 119.914 -0.829 0.000 2.453 520 V HA -0.167 3.954 4.120 0.002 0.000 0.252 520 V C 1.861 177.693 176.094 -0.437 0.000 1.068 520 V CA 1.944 63.681 62.300 -0.938 0.000 1.070 520 V CB -1.178 30.399 31.823 -0.410 0.000 0.664 520 V HN 0.809 nan 8.190 nan 0.000 0.461 521 L N -0.518 120.494 121.223 -0.351 0.000 2.478 521 L HA 0.094 4.435 4.340 0.002 0.000 0.223 521 L C 1.622 178.417 176.870 -0.125 0.000 1.140 521 L CA 0.505 55.229 54.840 -0.193 0.000 0.842 521 L CB -0.722 41.231 42.059 -0.176 0.000 0.953 521 L HN 0.452 nan 8.230 nan 0.000 0.452 522 H N 2.366 121.329 119.070 -0.178 0.000 2.767 522 H HA 0.062 4.619 4.556 0.002 0.000 0.316 522 H C -1.578 173.685 175.328 -0.108 0.000 1.059 522 H CA -1.590 54.387 56.048 -0.119 0.000 1.461 522 H CB 1.722 31.437 29.762 -0.079 0.000 1.475 522 H HN -0.123 nan 8.280 nan 0.000 0.531 523 P HA -0.240 nan 4.420 nan 0.000 0.215 523 P C 1.652 178.916 177.300 -0.060 0.000 1.163 523 P CA 1.109 63.870 63.100 -0.566 0.000 0.894 523 P CB 0.398 31.357 31.700 -1.234 0.000 0.791 524 I N -2.028 118.549 120.570 0.013 0.000 2.614 524 I HA -0.197 3.974 4.170 0.002 0.000 0.258 524 I C 2.592 178.716 176.117 0.012 0.000 1.189 524 I CA 1.010 62.356 61.300 0.076 0.000 1.462 524 I CB -1.687 36.363 38.000 0.083 0.000 1.092 524 I HN -0.051 nan 8.210 nan 0.000 0.442 525 Y N 2.473 122.765 120.300 -0.013 0.000 2.184 525 Y HA -0.176 4.375 4.550 0.002 0.000 0.290 525 Y C 2.501 178.351 175.900 -0.083 0.000 1.129 525 Y CA 1.707 59.755 58.100 -0.087 0.000 1.144 525 Y CB -0.125 38.303 38.460 -0.052 0.000 0.995 525 Y HN 0.008 nan 8.280 nan 0.000 0.513 526 K N -0.273 120.275 120.400 0.247 0.000 2.152 526 K HA -0.189 4.132 4.320 0.002 0.000 0.206 526 K C 1.909 178.463 176.600 -0.077 0.000 1.048 526 K CA 1.561 57.962 56.287 0.191 0.000 0.933 526 K CB -0.391 32.342 32.500 0.388 0.000 0.721 526 K HN 0.327 nan 8.250 nan 0.000 0.447 527 L N 0.519 121.657 121.223 -0.142 0.000 2.095 527 L HA -0.069 4.272 4.340 0.002 0.000 0.204 527 L C 1.827 178.522 176.870 -0.291 0.000 1.080 527 L CA 1.345 55.964 54.840 -0.369 0.000 0.759 527 L CB -0.128 41.630 42.059 -0.501 0.000 0.914 527 L HN -0.009 nan 8.230 nan 0.000 0.439 528 L N -1.034 120.002 121.223 -0.311 0.000 2.168 528 L HA -0.005 4.336 4.340 0.002 0.000 0.203 528 L C 2.422 178.788 176.870 -0.841 0.000 1.078 528 L CA 1.770 56.351 54.840 -0.430 0.000 0.780 528 L CB -1.240 40.624 42.059 -0.325 0.000 0.939 528 L HN 0.198 nan 8.230 nan 0.000 0.451 529 T N 0.385 114.478 114.554 -0.769 0.000 2.721 529 T HA -0.172 4.179 4.350 0.002 0.000 0.268 529 T C -0.499 173.920 174.700 -0.470 0.000 1.038 529 T CA 1.842 63.558 62.100 -0.641 0.000 1.145 529 T CB -1.094 67.374 68.868 -0.667 0.000 0.858 529 T HN 0.228 nan 8.240 nan 0.000 0.459 530 P HA -0.104 nan 4.420 nan 0.000 0.218 530 P C 0.966 177.917 177.300 -0.582 0.000 1.146 530 P CA 1.035 63.805 63.100 -0.549 0.000 0.813 530 P CB -0.078 31.178 31.700 -0.740 0.000 0.778 531 H N -3.189 115.707 119.070 -0.290 0.000 2.524 531 H HA 0.149 4.706 4.556 0.002 0.000 0.280 531 H C 0.477 175.813 175.328 0.014 0.000 1.018 531 H CA 0.517 56.471 56.048 -0.157 0.000 1.165 531 H CB 0.057 29.716 29.762 -0.172 0.000 1.411 531 H HN 0.274 nan 8.280 nan 0.000 0.569 532 Y N 0.048 120.379 120.300 0.051 0.000 2.445 532 Y HA 0.159 4.710 4.550 0.002 0.000 0.247 532 Y C 1.421 177.351 175.900 0.050 0.000 1.129 532 Y CA -0.783 57.362 58.100 0.074 0.000 1.251 532 Y CB 0.230 38.748 38.460 0.098 0.000 1.176 532 Y HN -0.032 nan 8.280 nan 0.000 0.522 533 R N 2.278 122.872 120.500 0.155 0.000 2.486 533 R HA -0.112 4.229 4.340 0.002 0.000 0.303 533 R C 0.527 176.884 176.300 0.094 0.000 0.958 533 R CA 0.890 57.054 56.100 0.108 0.000 1.077 533 R CB -0.173 30.157 30.300 0.050 0.000 0.921 533 R HN 0.378 nan 8.270 nan 0.000 0.406 534 N N 1.809 120.567 118.700 0.097 0.000 2.900 534 N HA -0.306 4.435 4.740 0.002 0.000 0.240 534 N C 0.413 175.961 175.510 0.064 0.000 0.953 534 N CA 1.655 54.756 53.050 0.084 0.000 0.950 534 N CB -1.425 37.123 38.487 0.102 0.000 1.102 534 N HN 0.875 nan 8.380 nan 0.000 0.593 535 N N -0.728 118.004 118.700 0.053 0.000 2.084 535 N HA -0.073 4.668 4.740 0.002 0.000 0.190 535 N C 1.674 177.201 175.510 0.029 0.000 1.030 535 N CA 1.437 54.490 53.050 0.005 0.000 0.849 535 N CB -0.091 38.406 38.487 0.017 0.000 1.012 535 N HN 0.377 nan 8.380 nan 0.000 0.423 536 M N 0.141 119.761 119.600 0.034 0.000 2.254 536 M HA -0.107 4.374 4.480 0.002 0.000 0.265 536 M C 1.824 178.136 176.300 0.019 0.000 1.066 536 M CA 0.952 56.262 55.300 0.016 0.000 1.123 536 M CB -0.216 32.372 32.600 -0.020 0.000 1.388 536 M HN 0.235 nan 8.290 nan 0.000 0.425 537 N N 1.377 120.090 118.700 0.022 0.000 2.080 537 N HA -0.137 4.604 4.740 0.002 0.000 0.189 537 N C 1.561 177.111 175.510 0.067 0.000 1.036 537 N CA 1.631 54.696 53.050 0.025 0.000 0.846 537 N CB -0.331 38.176 38.487 0.033 0.000 1.015 537 N HN 0.482 nan 8.380 nan 0.000 0.423 538 I N -2.049 118.581 120.570 0.100 0.000 2.361 538 I HA -0.122 4.049 4.170 0.002 0.000 0.251 538 I C 1.370 177.607 176.117 0.200 0.000 1.133 538 I CA 1.288 62.676 61.300 0.146 0.000 1.413 538 I CB -0.514 37.600 38.000 0.190 0.000 1.073 538 I HN -0.039 nan 8.210 nan 0.000 0.424 539 N N 2.025 120.865 118.700 0.232 0.000 2.142 539 N HA -0.081 4.660 4.740 0.002 0.000 0.186 539 N C 2.065 177.714 175.510 0.232 0.000 1.023 539 N CA 1.944 55.197 53.050 0.339 0.000 0.852 539 N CB -0.467 38.202 38.487 0.303 0.000 0.998 539 N HN 0.554 nan 8.380 nan 0.000 0.424 540 A N 0.925 123.831 122.820 0.143 0.000 1.877 540 A HA -0.075 4.246 4.320 0.002 0.000 0.216 540 A C 1.989 179.579 177.584 0.009 0.000 1.186 540 A CA 0.937 53.061 52.037 0.144 0.000 0.620 540 A CB -0.598 18.479 19.000 0.128 0.000 0.822 540 A HN 0.129 nan 8.150 nan 0.000 0.443 541 L N -0.430 120.782 121.223 -0.017 0.000 2.042 541 L HA -0.188 4.153 4.340 0.002 0.000 0.210 541 L C 3.002 179.794 176.870 -0.130 0.000 1.076 541 L CA 2.056 56.836 54.840 -0.101 0.000 0.749 541 L CB -1.727 40.316 42.059 -0.027 0.000 0.893 541 L HN 0.459 nan 8.230 nan 0.000 0.432 542 A N -0.511 122.285 122.820 -0.041 0.000 1.902 542 A HA -0.216 4.105 4.320 0.002 0.000 0.217 542 A C 2.438 179.900 177.584 -0.203 0.000 1.181 542 A CA 1.393 53.364 52.037 -0.111 0.000 0.623 542 A CB -0.421 18.547 19.000 -0.053 0.000 0.818 542 A HN 0.356 nan 8.150 nan 0.000 0.443 543 R N -0.936 119.503 120.500 -0.102 0.000 2.092 543 R HA -0.151 4.190 4.340 0.002 0.000 0.231 543 R C 2.486 178.670 176.300 -0.194 0.000 1.119 543 R CA 1.518 57.591 56.100 -0.045 0.000 0.970 543 R CB -0.276 30.150 30.300 0.210 0.000 0.864 543 R HN 0.802 nan 8.270 nan 0.000 0.440 544 Q N -0.060 119.394 119.800 -0.577 0.000 2.123 544 Q HA -0.061 4.280 4.340 0.002 0.000 0.199 544 Q C 0.874 176.632 176.000 -0.404 0.000 0.966 544 Q CA 1.651 56.925 55.803 -0.881 0.000 0.845 544 Q CB 0.385 28.321 28.738 -1.338 0.000 0.907 544 Q HN 0.177 nan 8.270 nan 0.000 0.439 545 S N -1.250 114.279 115.700 -0.285 0.000 2.628 545 S HA 0.239 4.710 4.470 0.002 0.000 0.246 545 S C 1.328 175.840 174.600 -0.146 0.000 1.062 545 S CA -0.387 57.702 58.200 -0.185 0.000 1.028 545 S CB 0.532 63.642 63.200 -0.150 0.000 0.985 545 S HN 0.226 nan 8.310 nan 0.000 0.551 546 L N 1.091 122.206 121.223 -0.180 0.000 2.453 546 L HA 0.418 4.759 4.340 0.002 0.000 0.190 546 L C 1.635 178.358 176.870 -0.245 0.000 1.093 546 L CA 0.723 55.453 54.840 -0.182 0.000 0.834 546 L CB -0.247 41.692 42.059 -0.201 0.000 1.090 546 L HN 0.278 nan 8.230 nan 0.000 0.489 547 I N -1.287 119.071 120.570 -0.355 0.000 3.891 547 I HA 0.147 4.318 4.170 0.002 0.000 0.331 547 I C 0.453 176.403 176.117 -0.279 0.000 1.406 547 I CA -0.580 60.475 61.300 -0.407 0.000 1.139 547 I CB -0.487 37.078 38.000 -0.725 0.000 1.056 547 I HN 0.218 nan 8.210 nan 0.000 0.399 548 N N 2.358 120.937 118.700 -0.201 0.000 2.408 548 N HA 0.263 5.004 4.740 0.002 0.000 0.260 548 N C 0.063 175.498 175.510 -0.125 0.000 1.242 548 N CA -0.247 52.723 53.050 -0.133 0.000 0.959 548 N CB 1.010 39.433 38.487 -0.106 0.000 1.201 548 N HN 0.171 nan 8.380 nan 0.000 0.511 549 A N 0.529 123.289 122.820 -0.100 0.000 2.524 549 A HA 0.093 4.414 4.320 0.002 0.000 0.250 549 A C 0.706 178.241 177.584 -0.082 0.000 1.078 549 A CA 0.191 52.169 52.037 -0.098 0.000 0.761 549 A CB -1.302 17.649 19.000 -0.083 0.000 1.012 549 A HN 0.967 nan 8.150 nan 0.000 0.500 550 N N -0.040 118.609 118.700 -0.084 0.000 2.741 550 N HA -0.154 4.587 4.740 0.002 0.000 0.250 550 N C 0.567 176.041 175.510 -0.060 0.000 1.115 550 N CA 1.175 54.186 53.050 -0.066 0.000 0.724 550 N CB -1.128 37.327 38.487 -0.053 0.000 1.090 550 N HN 1.161 nan 8.380 nan 0.000 0.558 551 G N -0.505 108.250 108.800 -0.076 0.000 2.510 551 G HA2 0.461 4.422 3.960 0.002 0.000 0.280 551 G HA3 0.461 4.422 3.960 0.002 0.000 0.280 551 G C 1.254 176.126 174.900 -0.046 0.000 1.386 551 G CA -0.219 44.837 45.100 -0.075 0.000 1.047 551 G HN 0.184 nan 8.290 nan 0.000 0.527 552 I N -0.095 120.454 120.570 -0.034 0.000 2.179 552 I HA -0.147 4.024 4.170 0.002 0.000 0.242 552 I C 2.433 178.583 176.117 0.056 0.000 1.088 552 I CA 0.776 62.086 61.300 0.017 0.000 1.357 552 I CB -0.115 37.903 38.000 0.030 0.000 1.051 552 I HN 0.271 nan 8.210 nan 0.000 0.409 553 I N 0.539 121.115 120.570 0.010 0.000 2.315 553 I HA -0.208 3.963 4.170 0.002 0.000 0.248 553 I C 2.400 178.571 176.117 0.091 0.000 1.117 553 I CA 1.561 62.901 61.300 0.067 0.000 1.404 553 I CB -1.127 36.778 38.000 -0.159 0.000 1.071 553 I HN 0.339 nan 8.210 nan 0.000 0.419 554 E N 0.345 120.540 120.200 -0.009 0.000 2.106 554 E HA -0.148 4.203 4.350 0.002 0.000 0.192 554 E C 2.080 178.690 176.600 0.015 0.000 0.984 554 E CA 1.568 57.960 56.400 -0.013 0.000 0.806 554 E CB -0.008 29.650 29.700 -0.071 0.000 0.750 554 E HN 0.433 nan 8.360 nan 0.000 0.458 555 T N 0.234 114.795 114.554 0.012 0.000 2.737 555 T HA -0.130 4.221 4.350 0.002 0.000 0.265 555 T C 2.167 176.869 174.700 0.004 0.000 1.038 555 T CA 1.869 63.969 62.100 -0.000 0.000 1.144 555 T CB -0.261 68.604 68.868 -0.005 0.000 0.866 555 T HN 0.357 nan 8.240 nan 0.000 0.434 556 T N -1.300 113.283 114.554 0.048 0.000 3.037 556 T HA 0.302 4.653 4.350 0.002 0.000 0.251 556 T C 0.314 174.920 174.700 -0.156 0.000 1.079 556 T CA -0.217 61.855 62.100 -0.047 0.000 1.067 556 T CB -0.221 68.625 68.868 -0.037 0.000 0.948 556 T HN 0.108 nan 8.240 nan 0.000 0.496 557 F N 0.780 120.719 119.950 -0.018 0.000 2.425 557 F HA 0.539 5.067 4.527 0.002 0.000 0.331 557 F C 1.167 176.974 175.800 0.012 0.000 1.085 557 F CA -1.819 56.181 58.000 0.001 0.000 1.028 557 F CB 1.514 40.516 39.000 0.004 0.000 1.177 557 F HN -0.144 nan 8.300 nan 0.000 0.487 558 L N 4.610 125.943 121.223 0.182 0.000 2.030 558 L HA -0.183 4.158 4.340 0.002 0.000 0.222 558 L C -1.068 175.910 176.870 0.179 0.000 1.082 558 L CA 2.429 57.363 54.840 0.157 0.000 0.785 558 L CB -1.401 40.767 42.059 0.182 0.000 0.895 558 L HN 0.468 nan 8.230 nan 0.000 0.439 559 P HA -0.075 nan 4.420 nan 0.000 0.230 559 P C 1.038 178.418 177.300 0.133 0.000 1.158 559 P CA 1.071 64.283 63.100 0.187 0.000 0.769 559 P CB 0.058 31.821 31.700 0.105 0.000 0.807 560 S N 1.128 116.870 115.700 0.069 0.000 4.110 560 S HA -0.372 4.099 4.470 0.002 0.000 0.573 560 S C 1.786 176.316 174.600 -0.117 0.000 1.936 560 S CA 2.665 60.856 58.200 -0.014 0.000 4.227 560 S CB -1.678 61.516 63.200 -0.010 0.000 0.327 560 S HN 0.373 nan 8.310 nan 0.000 0.532 561 K N 0.419 120.668 120.400 -0.251 0.000 2.280 561 K HA -0.097 4.225 4.320 0.002 0.000 0.202 561 K C 1.762 178.119 176.600 -0.405 0.000 1.047 561 K CA 2.120 58.192 56.287 -0.359 0.000 0.942 561 K CB -0.532 31.699 32.500 -0.449 0.000 0.739 561 K HN 0.673 nan 8.250 nan 0.000 0.457 562 Y N 2.092 122.359 120.300 -0.055 0.000 2.583 562 Y HA 0.073 4.624 4.550 0.001 0.000 0.293 562 Y C 2.300 178.067 175.900 -0.223 0.000 1.157 562 Y CA 0.175 58.217 58.100 -0.097 0.000 1.315 562 Y CB -0.015 38.424 38.460 -0.035 0.000 1.021 562 Y HN 0.084 nan 8.280 nan 0.000 0.536 563 S N -0.048 115.594 115.700 -0.097 0.000 2.359 563 S HA -0.194 4.277 4.470 0.002 0.000 0.222 563 S C 2.159 176.634 174.600 -0.208 0.000 1.038 563 S CA 1.962 60.069 58.200 -0.154 0.000 1.051 563 S CB -0.787 62.326 63.200 -0.145 0.000 0.944 563 S HN 0.297 nan 8.310 nan 0.000 0.433 564 V N 1.736 121.505 119.914 -0.242 0.000 2.667 564 V HA -0.092 4.029 4.120 0.002 0.000 0.252 564 V C 2.334 178.285 176.094 -0.238 0.000 1.065 564 V CA 1.483 63.622 62.300 -0.268 0.000 1.083 564 V CB -0.757 30.835 31.823 -0.386 0.000 0.692 564 V HN 0.477 nan 8.190 nan 0.000 0.468 565 E N 0.424 120.490 120.200 -0.225 0.000 2.058 565 E HA -0.258 4.093 4.350 0.002 0.000 0.194 565 E C 2.259 178.837 176.600 -0.037 0.000 0.997 565 E CA 1.771 58.096 56.400 -0.126 0.000 0.801 565 E CB -0.151 29.539 29.700 -0.016 0.000 0.746 565 E HN 0.553 nan 8.360 nan 0.000 0.450 566 M N 0.430 119.876 119.600 -0.256 0.000 2.159 566 M HA -0.152 4.329 4.480 0.002 0.000 0.263 566 M C 2.547 178.787 176.300 -0.101 0.000 1.063 566 M CA 1.698 56.785 55.300 -0.355 0.000 1.110 566 M CB -0.221 32.034 32.600 -0.576 0.000 1.374 566 M HN 0.160 nan 8.290 nan 0.000 0.411 567 S N -0.894 114.783 115.700 -0.038 0.000 2.423 567 S HA -0.095 4.376 4.470 0.002 0.000 0.231 567 S C 1.950 176.697 174.600 0.244 0.000 1.014 567 S CA 1.339 59.583 58.200 0.072 0.000 0.965 567 S CB -0.450 62.832 63.200 0.136 0.000 0.785 567 S HN 0.426 nan 8.310 nan 0.000 0.495 568 S N 2.199 118.102 115.700 0.339 0.000 2.356 568 S HA -0.025 4.446 4.470 0.002 0.000 0.223 568 S C 2.201 177.034 174.600 0.388 0.000 1.032 568 S CA 1.268 59.749 58.200 0.469 0.000 1.005 568 S CB -0.989 62.459 63.200 0.413 0.000 0.867 568 S HN 0.779 nan 8.310 nan 0.000 0.449 569 A N 0.678 123.681 122.820 0.306 0.000 1.917 569 A HA -0.063 4.258 4.320 0.002 0.000 0.219 569 A C 2.317 180.037 177.584 0.227 0.000 1.182 569 A CA 1.988 54.184 52.037 0.265 0.000 0.633 569 A CB -1.012 18.152 19.000 0.274 0.000 0.819 569 A HN 0.477 nan 8.150 nan 0.000 0.448 570 V N -1.720 118.314 119.914 0.199 0.000 2.548 570 V HA -0.215 3.906 4.120 0.002 0.000 0.249 570 V C 2.300 178.542 176.094 0.248 0.000 1.055 570 V CA 1.763 64.180 62.300 0.194 0.000 1.065 570 V CB -0.972 30.922 31.823 0.119 0.000 0.681 570 V HN 0.715 nan 8.190 nan 0.000 0.462 571 Y N 1.545 121.921 120.300 0.127 0.000 2.274 571 Y HA -0.217 4.334 4.550 0.002 0.000 0.290 571 Y C 2.355 178.386 175.900 0.218 0.000 1.145 571 Y CA 1.453 59.628 58.100 0.124 0.000 1.203 571 Y CB -0.293 38.170 38.460 0.006 0.000 0.984 571 Y HN 0.192 nan 8.280 nan 0.000 0.533 572 K N -0.103 120.431 120.400 0.224 0.000 2.228 572 K HA -0.202 4.119 4.320 0.002 0.000 0.205 572 K C 0.574 177.226 176.600 0.087 0.000 1.045 572 K CA 1.459 57.826 56.287 0.133 0.000 0.931 572 K CB -0.205 32.392 32.500 0.161 0.000 0.727 572 K HN 0.412 nan 8.250 nan 0.000 0.458 573 N N -0.583 118.178 118.700 0.102 0.000 2.275 573 N HA -0.005 4.736 4.740 0.002 0.000 0.236 573 N C -0.807 174.721 175.510 0.031 0.000 1.154 573 N CA -0.107 52.982 53.050 0.064 0.000 0.866 573 N CB 0.172 38.706 38.487 0.077 0.000 1.093 573 N HN 0.180 nan 8.380 nan 0.000 0.515 574 W N 1.521 122.700 121.300 -0.202 0.000 2.272 574 W HA 0.373 5.034 4.660 0.002 0.000 0.318 574 W C -0.636 175.574 176.519 -0.515 0.000 1.255 574 W CA -0.259 56.932 57.345 -0.257 0.000 1.200 574 W CB 0.767 30.111 29.460 -0.193 0.000 1.170 574 W HN -0.311 nan 8.180 nan 0.000 0.549 575 V N 9.635 128.761 119.914 -1.313 0.000 2.447 575 V HA 0.063 4.184 4.120 0.002 0.000 0.292 575 V C 0.525 175.430 176.094 -1.981 0.000 1.021 575 V CA -0.838 60.215 62.300 -2.078 0.000 0.850 575 V CB 0.677 31.584 31.823 -1.527 0.000 1.005 575 V HN 0.731 nan 8.190 nan 0.000 0.426 576 F N 4.435 122.997 119.950 -2.313 0.000 2.087 576 F HA -0.260 4.268 4.527 0.002 0.000 0.299 576 F C 2.459 177.869 175.800 -0.649 0.000 1.100 576 F CA 2.843 60.047 58.000 -1.328 0.000 1.226 576 F CB -0.054 38.599 39.000 -0.578 0.000 0.983 576 F HN 0.618 nan 8.300 nan 0.000 0.479 577 T N -3.133 111.081 114.554 -0.568 0.000 3.035 577 T HA -0.106 4.245 4.350 0.002 0.000 0.268 577 T C 1.423 175.861 174.700 -0.437 0.000 1.109 577 T CA 1.182 63.047 62.100 -0.393 0.000 1.119 577 T CB -0.499 68.292 68.868 -0.128 0.000 0.900 577 T HN 0.183 nan 8.240 nan 0.000 0.503 578 D N 1.149 121.214 120.400 -0.558 0.000 2.347 578 D HA 0.012 4.653 4.640 0.002 0.000 0.215 578 D C 1.992 178.068 176.300 -0.374 0.000 0.976 578 D CA 0.373 54.110 54.000 -0.439 0.000 0.884 578 D CB -0.104 40.417 40.800 -0.466 0.000 0.915 578 D HN 0.338 nan 8.370 nan 0.000 0.526 579 Q N 0.128 119.675 119.800 -0.422 0.000 2.482 579 Q HA 0.144 4.485 4.340 0.002 0.000 0.209 579 Q C 0.404 176.303 176.000 -0.167 0.000 0.961 579 Q CA 0.051 55.725 55.803 -0.214 0.000 0.945 579 Q CB -0.128 28.509 28.738 -0.169 0.000 1.012 579 Q HN 0.146 nan 8.270 nan 0.000 0.515 580 A N 0.971 123.591 122.820 -0.334 0.000 2.409 580 A HA 0.157 4.478 4.320 0.002 0.000 0.262 580 A C 1.150 178.198 177.584 -0.893 0.000 1.113 580 A CA -0.337 51.367 52.037 -0.556 0.000 0.790 580 A CB 0.268 19.045 19.000 -0.373 0.000 1.046 580 A HN 0.260 nan 8.150 nan 0.000 0.496 581 L N 4.215 124.482 121.223 -1.593 0.000 2.013 581 L HA -0.071 4.270 4.340 0.002 0.000 0.212 581 L C -0.806 175.510 176.870 -0.924 0.000 1.073 581 L CA 2.600 56.712 54.840 -1.214 0.000 0.753 581 L CB -1.188 39.906 42.059 -1.608 0.000 0.890 581 L HN 0.535 nan 8.230 nan 0.000 0.432 582 P HA -0.165 nan 4.420 nan 0.000 0.215 582 P C 1.564 178.638 177.300 -0.377 0.000 1.153 582 P CA 2.064 64.832 63.100 -0.555 0.000 0.853 582 P CB -0.201 31.233 31.700 -0.443 0.000 0.788 583 A N -0.154 122.437 122.820 -0.381 0.000 1.877 583 A HA -0.266 4.055 4.320 0.002 0.000 0.216 583 A C 2.216 179.659 177.584 -0.234 0.000 1.186 583 A CA 2.315 54.191 52.037 -0.268 0.000 0.620 583 A CB -1.716 17.120 19.000 -0.273 0.000 0.822 583 A HN 0.194 nan 8.150 nan 0.000 0.443 584 D N -0.107 120.136 120.400 -0.261 0.000 2.092 584 D HA -0.163 4.478 4.640 0.002 0.000 0.193 584 D C 1.826 178.056 176.300 -0.116 0.000 0.994 584 D CA 1.674 55.577 54.000 -0.163 0.000 0.828 584 D CB -0.278 40.448 40.800 -0.123 0.000 0.963 584 D HN 0.410 nan 8.370 nan 0.000 0.450 585 L N -0.016 121.110 121.223 -0.162 0.000 2.042 585 L HA -0.156 4.186 4.340 0.002 0.000 0.210 585 L C 2.702 179.532 176.870 -0.066 0.000 1.076 585 L CA 0.891 55.664 54.840 -0.112 0.000 0.749 585 L CB -0.451 41.491 42.059 -0.195 0.000 0.893 585 L HN 0.200 nan 8.230 nan 0.000 0.432 586 I N -0.368 120.141 120.570 -0.102 0.000 2.202 586 I HA -0.298 3.873 4.170 0.002 0.000 0.242 586 I C 2.747 178.831 176.117 -0.055 0.000 1.091 586 I CA 1.297 62.554 61.300 -0.071 0.000 1.368 586 I CB -0.320 37.625 38.000 -0.092 0.000 1.058 586 I HN 0.239 nan 8.210 nan 0.000 0.410 587 K N 1.255 121.610 120.400 -0.075 0.000 2.057 587 K HA -0.158 4.163 4.320 0.002 0.000 0.207 587 K C 2.093 178.673 176.600 -0.033 0.000 1.049 587 K CA 1.405 57.652 56.287 -0.066 0.000 0.931 587 K CB -0.006 32.435 32.500 -0.097 0.000 0.714 587 K HN 0.248 nan 8.250 nan 0.000 0.440 588 R N -0.742 119.752 120.500 -0.010 0.000 2.323 588 R HA 0.002 4.343 4.340 0.002 0.000 0.198 588 R C 0.896 177.228 176.300 0.053 0.000 0.988 588 R CA 0.592 56.708 56.100 0.027 0.000 1.041 588 R CB 0.104 30.442 30.300 0.062 0.000 0.926 588 R HN 0.501 nan 8.270 nan 0.000 0.476 589 G N 1.045 109.867 108.800 0.038 0.000 2.160 589 G HA2 -0.273 3.688 3.960 0.002 0.000 0.251 589 G HA3 -0.273 3.688 3.960 0.002 0.000 0.251 589 G C 0.633 175.616 174.900 0.138 0.000 1.008 589 G CA 0.488 45.614 45.100 0.043 0.000 0.724 589 G HN 0.328 nan 8.290 nan 0.000 0.514 590 V N -3.943 116.084 119.914 0.188 0.000 3.621 590 V HA 0.792 4.913 4.120 0.002 0.000 0.285 590 V C 0.876 177.081 176.094 0.185 0.000 1.346 590 V CA 0.842 63.329 62.300 0.312 0.000 1.104 590 V CB -0.070 31.958 31.823 0.342 0.000 0.913 590 V HN 1.918 nan 8.190 nan 0.000 0.432 591 A N 1.069 123.941 122.820 0.087 0.000 2.612 591 A HA 0.875 5.196 4.320 0.002 0.000 0.293 591 A C -1.082 176.508 177.584 0.010 0.000 1.075 591 A CA -0.560 51.496 52.037 0.032 0.000 0.680 591 A CB 1.882 20.862 19.000 -0.034 0.000 1.279 591 A HN 0.810 nan 8.150 nan 0.000 0.411 592 I N -1.775 118.796 120.570 0.002 0.000 2.740 592 I HA 0.643 4.814 4.170 0.002 0.000 0.303 592 I C -0.246 175.860 176.117 -0.018 0.000 1.044 592 I CA -0.890 60.406 61.300 -0.008 0.000 1.064 592 I CB 1.742 39.743 38.000 0.001 0.000 1.249 592 I HN 0.511 nan 8.210 nan 0.000 0.433 593 K N 2.659 123.046 120.400 -0.022 0.000 2.412 593 K HA 0.209 4.530 4.320 0.002 0.000 0.281 593 K C -0.789 175.803 176.600 -0.013 0.000 1.027 593 K CA -0.006 56.267 56.287 -0.023 0.000 0.989 593 K CB 0.302 32.788 32.500 -0.023 0.000 0.935 593 K HN 0.641 nan 8.250 nan 0.000 0.475 594 D N 4.079 124.473 120.400 -0.010 0.000 2.365 594 D HA 0.085 4.726 4.640 0.002 0.000 0.235 594 D C -1.958 174.339 176.300 -0.005 0.000 1.368 594 D CA -1.697 52.299 54.000 -0.005 0.000 1.001 594 D CB 1.649 42.447 40.800 -0.003 0.000 1.364 594 D HN 0.217 nan 8.370 nan 0.000 0.577 595 P HA -0.112 nan 4.420 nan 0.000 0.218 595 P C 0.911 178.205 177.300 -0.010 0.000 1.148 595 P CA 0.637 63.734 63.100 -0.005 0.000 0.822 595 P CB 0.240 31.938 31.700 -0.004 0.000 0.784 596 S N -0.517 115.177 115.700 -0.010 0.000 2.727 596 S HA 0.027 4.498 4.470 0.002 0.000 0.226 596 S C 1.071 175.658 174.600 -0.022 0.000 0.963 596 S CA 0.407 58.599 58.200 -0.014 0.000 0.950 596 S CB -1.176 62.018 63.200 -0.009 0.000 0.779 596 S HN 0.420 nan 8.310 nan 0.000 0.532 597 T N -0.988 113.550 114.554 -0.026 0.000 2.940 597 T HA 0.426 4.777 4.350 0.002 0.000 0.288 597 T C -2.024 172.623 174.700 -0.088 0.000 1.033 597 T CA -2.076 59.999 62.100 -0.042 0.000 1.033 597 T CB 1.678 70.536 68.868 -0.017 0.000 1.079 597 T HN -0.156 nan 8.240 nan 0.000 0.496 598 P HA -0.128 nan 4.420 nan 0.000 0.220 598 P C 0.393 177.429 177.300 -0.439 0.000 1.144 598 P CA 1.390 64.291 63.100 -0.332 0.000 0.800 598 P CB -0.141 31.286 31.700 -0.455 0.000 0.772 599 H N -2.531 116.539 119.070 0.001 0.000 2.923 599 H HA 0.400 4.957 4.556 0.002 0.000 0.268 599 H C 1.252 176.574 175.328 -0.011 0.000 1.148 599 H CA 0.219 56.270 56.048 0.005 0.000 1.146 599 H CB 0.317 30.072 29.762 -0.013 0.000 1.607 599 H HN 0.102 nan 8.280 nan 0.000 0.566 600 G N 1.120 109.949 108.800 0.048 0.000 2.153 600 G HA2 -0.264 3.697 3.960 0.002 0.000 0.252 600 G HA3 -0.264 3.697 3.960 0.002 0.000 0.252 600 G C -0.206 174.698 174.900 0.007 0.000 0.994 600 G CA 0.587 45.700 45.100 0.022 0.000 0.698 600 G HN 0.384 nan 8.290 nan 0.000 0.521 601 V N -0.205 119.717 119.914 0.015 0.000 2.851 601 V HA 0.754 4.875 4.120 0.002 0.000 0.307 601 V C -0.334 175.760 176.094 -0.001 0.000 1.129 601 V CA -1.042 61.249 62.300 -0.015 0.000 0.932 601 V CB 1.898 33.683 31.823 -0.063 0.000 1.024 601 V HN 0.407 nan 8.190 nan 0.000 0.426 602 R N 5.862 126.359 120.500 -0.005 0.000 2.310 602 R HA 0.543 4.884 4.340 0.002 0.000 0.324 602 R C -1.190 175.116 176.300 0.010 0.000 0.955 602 R CA -0.644 55.460 56.100 0.006 0.000 0.830 602 R CB 1.326 31.631 30.300 0.010 0.000 1.154 602 R HN 0.771 nan 8.270 nan 0.000 0.458 603 L N 5.193 126.423 121.223 0.011 0.000 2.410 603 L HA 0.016 4.357 4.340 0.002 0.000 0.273 603 L C 1.070 177.976 176.870 0.060 0.000 1.152 603 L CA -0.331 54.525 54.840 0.026 0.000 0.855 603 L CB 0.874 42.940 42.059 0.012 0.000 1.129 603 L HN 0.613 nan 8.230 nan 0.000 0.463 604 L N 4.780 126.069 121.223 0.109 0.000 2.270 604 L HA 0.103 4.444 4.340 0.002 0.000 0.210 604 L C 0.708 177.651 176.870 0.122 0.000 1.104 604 L CA 1.160 56.094 54.840 0.156 0.000 0.804 604 L CB -0.073 42.153 42.059 0.278 0.000 0.937 604 L HN 0.434 nan 8.230 nan 0.000 0.450 605 I N -0.187 120.406 120.570 0.038 0.000 2.347 605 I HA 0.089 4.260 4.170 0.002 0.000 0.283 605 I C 1.125 177.249 176.117 0.012 0.000 1.058 605 I CA -0.328 60.913 61.300 -0.098 0.000 1.202 605 I CB 0.936 38.741 38.000 -0.325 0.000 1.386 605 I HN 0.084 nan 8.210 nan 0.000 0.475 606 E N 2.897 123.100 120.200 0.006 0.000 2.086 606 E HA -0.245 4.106 4.350 0.002 0.000 0.200 606 E C 0.494 177.113 176.600 0.030 0.000 1.012 606 E CA 1.598 58.010 56.400 0.020 0.000 0.812 606 E CB 0.060 29.767 29.700 0.012 0.000 0.743 606 E HN 0.580 nan 8.360 nan 0.000 0.453 607 D N -0.188 120.224 120.400 0.020 0.000 2.540 607 D HA -0.023 4.618 4.640 0.002 0.000 0.251 607 D C -1.400 174.932 176.300 0.053 0.000 1.159 607 D CA -0.453 53.568 54.000 0.034 0.000 0.974 607 D CB -0.411 40.401 40.800 0.020 0.000 0.996 607 D HN -0.094 nan 8.370 nan 0.000 0.512 608 Y N 3.526 123.770 120.300 -0.094 0.000 2.454 608 Y HA 0.391 4.942 4.550 0.002 0.000 0.345 608 Y C -1.960 173.870 175.900 -0.116 0.000 0.970 608 Y CA -2.968 55.059 58.100 -0.121 0.000 1.204 608 Y CB 1.316 39.704 38.460 -0.120 0.000 1.122 608 Y HN 0.192 nan 8.280 nan 0.000 0.514 609 P HA -0.244 nan 4.420 nan 0.000 0.214 609 P C 1.313 178.562 177.300 -0.086 0.000 1.163 609 P CA 1.776 64.813 63.100 -0.105 0.000 0.883 609 P CB -0.125 31.310 31.700 -0.442 0.000 0.788 610 Y N 0.806 120.995 120.300 -0.184 0.000 2.128 610 Y HA -0.230 4.321 4.550 0.002 0.000 0.284 610 Y C 2.299 178.175 175.900 -0.040 0.000 1.154 610 Y CA 1.782 59.896 58.100 0.022 0.000 1.149 610 Y CB -1.174 37.357 38.460 0.117 0.000 0.976 610 Y HN -0.122 nan 8.280 nan 0.000 0.505 611 A N 0.632 123.089 122.820 -0.604 0.000 1.873 611 A HA -0.016 4.305 4.320 0.002 0.000 0.215 611 A C 2.472 179.796 177.584 -0.434 0.000 1.186 611 A CA 1.881 53.448 52.037 -0.783 0.000 0.616 611 A CB -1.562 16.820 19.000 -1.030 0.000 0.823 611 A HN 0.636 nan 8.150 nan 0.000 0.442 612 A N 0.232 122.909 122.820 -0.238 0.000 1.865 612 A HA -0.208 4.113 4.320 0.002 0.000 0.217 612 A C 1.772 179.322 177.584 -0.057 0.000 1.191 612 A CA 2.076 54.052 52.037 -0.101 0.000 0.623 612 A CB -0.697 18.299 19.000 -0.008 0.000 0.826 612 A HN 0.449 nan 8.150 nan 0.000 0.444 613 D N -0.510 119.898 120.400 0.013 0.000 2.144 613 D HA -0.021 4.620 4.640 0.002 0.000 0.200 613 D C 2.084 178.414 176.300 0.050 0.000 0.978 613 D CA 1.320 55.374 54.000 0.090 0.000 0.833 613 D CB -0.755 40.190 40.800 0.242 0.000 0.961 613 D HN 0.424 nan 8.370 nan 0.000 0.470 614 G N 0.790 109.560 108.800 -0.050 0.000 2.440 614 G HA2 -0.217 3.744 3.960 0.002 0.000 0.218 614 G HA3 -0.217 3.744 3.960 0.002 0.000 0.218 614 G C 1.457 176.315 174.900 -0.070 0.000 1.154 614 G CA 0.265 45.368 45.100 0.006 0.000 0.767 614 G HN 0.173 nan 8.290 nan 0.000 0.552 615 L N 0.458 121.517 121.223 -0.273 0.000 2.201 615 L HA 0.065 4.406 4.340 0.002 0.000 0.212 615 L C 2.602 179.270 176.870 -0.336 0.000 1.105 615 L CA 1.342 55.917 54.840 -0.441 0.000 0.775 615 L CB -0.805 40.850 42.059 -0.673 0.000 0.913 615 L HN 0.184 nan 8.230 nan 0.000 0.440 616 E N -0.485 119.645 120.200 -0.116 0.000 2.046 616 E HA -0.131 4.220 4.350 0.002 0.000 0.190 616 E C 2.195 178.864 176.600 0.114 0.000 0.982 616 E CA 0.812 57.236 56.400 0.040 0.000 0.800 616 E CB -0.049 29.692 29.700 0.068 0.000 0.756 616 E HN 0.186 nan 8.360 nan 0.000 0.449 617 I N 0.337 121.012 120.570 0.175 0.000 2.226 617 I HA -0.267 3.904 4.170 0.002 0.000 0.245 617 I C 2.323 178.652 176.117 0.353 0.000 1.100 617 I CA 1.145 62.614 61.300 0.281 0.000 1.374 617 I CB -1.415 36.816 38.000 0.384 0.000 1.057 617 I HN 0.408 nan 8.210 nan 0.000 0.413 618 W N 2.497 123.853 121.300 0.093 0.000 2.315 618 W HA -0.300 4.361 4.660 0.002 0.000 0.323 618 W C 2.588 179.105 176.519 -0.003 0.000 1.233 618 W CA 2.502 59.798 57.345 -0.083 0.000 1.267 618 W CB -0.231 28.931 29.460 -0.497 0.000 1.160 618 W HN 0.167 nan 8.180 nan 0.000 0.474 619 A N 0.918 123.791 122.820 0.088 0.000 1.940 619 A HA -0.123 4.198 4.320 0.002 0.000 0.219 619 A C 2.161 179.787 177.584 0.070 0.000 1.176 619 A CA 2.867 54.941 52.037 0.062 0.000 0.631 619 A CB -1.306 17.830 19.000 0.227 0.000 0.814 619 A HN 0.401 nan 8.150 nan 0.000 0.446 620 A N 0.037 122.952 122.820 0.157 0.000 1.877 620 A HA -0.077 4.244 4.320 0.002 0.000 0.216 620 A C 2.107 179.916 177.584 0.376 0.000 1.186 620 A CA 1.517 53.721 52.037 0.278 0.000 0.620 620 A CB -0.615 18.549 19.000 0.273 0.000 0.822 620 A HN 0.500 nan 8.150 nan 0.000 0.443 621 I N -0.616 120.121 120.570 0.280 0.000 2.286 621 I HA -0.261 3.910 4.170 0.002 0.000 0.248 621 I C 2.540 178.587 176.117 -0.116 0.000 1.115 621 I CA 1.741 63.091 61.300 0.083 0.000 1.392 621 I CB -0.264 37.765 38.000 0.049 0.000 1.065 621 I HN 0.356 nan 8.210 nan 0.000 0.418 622 K N 0.604 120.853 120.400 -0.251 0.000 2.026 622 K HA -0.171 4.150 4.320 0.002 0.000 0.208 622 K C 2.111 178.645 176.600 -0.111 0.000 1.048 622 K CA 1.886 57.996 56.287 -0.294 0.000 0.929 622 K CB -0.069 32.205 32.500 -0.376 0.000 0.713 622 K HN 0.216 nan 8.250 nan 0.000 0.439 623 T N 0.620 115.176 114.554 0.004 0.000 2.788 623 T HA -0.189 4.162 4.350 0.002 0.000 0.268 623 T C 1.152 175.936 174.700 0.140 0.000 1.044 623 T CA 1.288 63.436 62.100 0.080 0.000 1.139 623 T CB -0.288 68.661 68.868 0.135 0.000 0.867 623 T HN 0.507 nan 8.240 nan 0.000 0.454 624 W N 1.509 122.754 121.300 -0.092 0.000 2.354 624 W HA -0.193 4.468 4.660 0.002 0.000 0.315 624 W C 1.800 178.261 176.519 -0.097 0.000 1.206 624 W CA 0.676 57.919 57.345 -0.170 0.000 1.290 624 W CB -0.427 28.614 29.460 -0.699 0.000 1.152 624 W HN 0.009 nan 8.180 nan 0.000 0.489 625 V N 1.518 121.162 119.914 -0.450 0.000 2.407 625 V HA -0.333 3.788 4.120 0.002 0.000 0.248 625 V C 2.365 178.328 176.094 -0.220 0.000 1.055 625 V CA 2.281 64.295 62.300 -0.477 0.000 1.049 625 V CB -1.027 30.582 31.823 -0.356 0.000 0.662 625 V HN 0.296 nan 8.190 nan 0.000 0.455 626 Q N -0.627 119.097 119.800 -0.126 0.000 2.224 626 Q HA -0.180 4.161 4.340 0.002 0.000 0.203 626 Q C 2.259 178.246 176.000 -0.022 0.000 0.970 626 Q CA 1.352 57.120 55.803 -0.058 0.000 0.865 626 Q CB -0.043 28.674 28.738 -0.034 0.000 0.922 626 Q HN 0.705 nan 8.270 nan 0.000 0.445 627 E N -0.457 119.748 120.200 0.009 0.000 2.076 627 E HA -0.170 4.182 4.350 0.002 0.000 0.190 627 E C 1.522 178.138 176.600 0.026 0.000 0.979 627 E CA 0.698 57.130 56.400 0.053 0.000 0.807 627 E CB -0.035 29.766 29.700 0.167 0.000 0.761 627 E HN 0.323 nan 8.360 nan 0.000 0.454 628 Y N 1.309 121.478 120.300 -0.218 0.000 2.133 628 Y HA -0.243 4.308 4.550 0.002 0.000 0.287 628 Y C 2.249 178.120 175.900 -0.049 0.000 1.134 628 Y CA 1.235 59.201 58.100 -0.222 0.000 1.133 628 Y CB -0.286 37.790 38.460 -0.640 0.000 0.987 628 Y HN -0.202 nan 8.280 nan 0.000 0.502 629 V N 2.249 122.237 119.914 0.124 0.000 2.287 629 V HA -0.261 3.860 4.120 0.002 0.000 0.248 629 V C -0.538 175.630 176.094 0.123 0.000 1.053 629 V CA 2.475 64.884 62.300 0.181 0.000 1.027 629 V CB -1.934 29.954 31.823 0.108 0.000 0.646 629 V HN 0.400 nan 8.190 nan 0.000 0.447 630 P HA -0.153 nan 4.420 nan 0.000 0.221 630 P C 1.745 178.946 177.300 -0.164 0.000 1.145 630 P CA 1.340 64.421 63.100 -0.032 0.000 0.795 630 P CB -0.077 31.600 31.700 -0.037 0.000 0.775 631 L N -2.543 118.479 121.223 -0.335 0.000 2.275 631 L HA -0.106 4.235 4.340 0.002 0.000 0.215 631 L C 1.959 178.289 176.870 -0.901 0.000 1.119 631 L CA 1.419 55.865 54.840 -0.657 0.000 0.790 631 L CB -0.638 40.820 42.059 -1.001 0.000 0.919 631 L HN -0.006 nan 8.230 nan 0.000 0.443 632 Y N -3.261 116.831 120.300 -0.346 0.000 2.467 632 Y HA 0.179 4.731 4.550 0.002 0.000 0.259 632 Y C -0.162 175.337 175.900 -0.668 0.000 1.084 632 Y CA -0.727 57.047 58.100 -0.544 0.000 1.275 632 Y CB 0.442 38.470 38.460 -0.721 0.000 1.208 632 Y HN -0.104 nan 8.280 nan 0.000 0.511 633 Y N -0.504 119.792 120.300 -0.007 0.000 2.363 633 Y HA 0.595 5.146 4.550 0.002 0.000 0.325 633 Y C 0.773 176.652 175.900 -0.035 0.000 0.984 633 Y CA -1.055 57.042 58.100 -0.006 0.000 1.248 633 Y CB 1.461 39.929 38.460 0.012 0.000 1.116 633 Y HN 0.003 nan 8.280 nan 0.000 0.470 634 A N 3.738 126.595 122.820 0.063 0.000 1.898 634 A HA 0.154 4.475 4.320 0.002 0.000 0.214 634 A C 0.920 178.528 177.584 0.041 0.000 1.183 634 A CA 1.006 53.056 52.037 0.021 0.000 0.622 634 A CB 0.099 19.095 19.000 -0.008 0.000 0.824 634 A HN 0.740 nan 8.150 nan 0.000 0.444 635 R N -1.804 118.735 120.500 0.065 0.000 2.855 635 R HA 0.388 4.729 4.340 0.002 0.000 0.266 635 R C -0.433 175.902 176.300 0.059 0.000 1.034 635 R CA -0.550 55.579 56.100 0.048 0.000 0.944 635 R CB 0.744 31.065 30.300 0.034 0.000 1.219 635 R HN 0.004 nan 8.270 nan 0.000 0.474 636 D N 0.691 121.112 120.400 0.034 0.000 2.149 636 D HA -0.142 4.499 4.640 0.002 0.000 0.198 636 D C 0.564 176.882 176.300 0.030 0.000 0.990 636 D CA 1.621 55.634 54.000 0.022 0.000 0.839 636 D CB -0.030 40.778 40.800 0.012 0.000 0.948 636 D HN 0.533 nan 8.370 nan 0.000 0.460 637 D N 0.423 120.846 120.400 0.039 0.000 2.221 637 D HA -0.119 4.522 4.640 0.002 0.000 0.204 637 D C 1.428 177.768 176.300 0.068 0.000 0.982 637 D CA 0.833 54.858 54.000 0.043 0.000 0.857 637 D CB 0.051 40.873 40.800 0.037 0.000 0.934 637 D HN 0.156 nan 8.370 nan 0.000 0.475 638 D N -0.234 120.229 120.400 0.105 0.000 2.144 638 D HA -0.089 4.552 4.640 0.002 0.000 0.200 638 D C 2.202 178.643 176.300 0.237 0.000 0.978 638 D CA 0.469 54.583 54.000 0.191 0.000 0.833 638 D CB -0.177 40.780 40.800 0.260 0.000 0.961 638 D HN 0.124 nan 8.370 nan 0.000 0.470 639 V N 1.437 121.406 119.914 0.092 0.000 2.270 639 V HA -0.229 3.892 4.120 0.002 0.000 0.245 639 V C 2.303 178.388 176.094 -0.014 0.000 1.043 639 V CA 1.557 63.795 62.300 -0.105 0.000 1.014 639 V CB -0.358 31.350 31.823 -0.192 0.000 0.645 639 V HN 0.177 nan 8.190 nan 0.000 0.447 640 K N 0.412 120.819 120.400 0.012 0.000 2.103 640 K HA -0.182 4.139 4.320 0.002 0.000 0.207 640 K C 1.760 178.381 176.600 0.034 0.000 1.048 640 K CA 1.776 58.077 56.287 0.023 0.000 0.930 640 K CB -0.369 32.146 32.500 0.025 0.000 0.716 640 K HN 0.541 nan 8.250 nan 0.000 0.444 641 N N 0.978 119.711 118.700 0.055 0.000 2.463 641 N HA -0.084 4.657 4.740 0.002 0.000 0.181 641 N C 0.005 175.557 175.510 0.069 0.000 1.078 641 N CA 0.088 53.172 53.050 0.057 0.000 0.902 641 N CB 0.166 38.692 38.487 0.066 0.000 0.970 641 N HN 0.155 nan 8.380 nan 0.000 0.451 642 D N 1.126 121.590 120.400 0.106 0.000 2.359 642 D HA 0.018 4.659 4.640 0.002 0.000 0.250 642 D C 1.142 177.458 176.300 0.026 0.000 1.264 642 D CA -0.068 54.013 54.000 0.134 0.000 0.911 642 D CB 0.868 41.830 40.800 0.270 0.000 1.056 642 D HN 0.174 nan 8.370 nan 0.000 0.499 643 S N 3.351 119.029 115.700 -0.037 0.000 2.370 643 S HA -0.218 4.253 4.470 0.002 0.000 0.226 643 S C 1.513 175.953 174.600 -0.267 0.000 1.033 643 S CA 0.847 58.921 58.200 -0.210 0.000 1.011 643 S CB -0.173 62.930 63.200 -0.163 0.000 0.852 643 S HN 0.589 nan 8.310 nan 0.000 0.457 644 E N 0.810 120.965 120.200 -0.075 0.000 2.077 644 E HA -0.086 4.265 4.350 0.002 0.000 0.193 644 E C 2.061 178.684 176.600 0.039 0.000 0.989 644 E CA 1.157 57.552 56.400 -0.008 0.000 0.800 644 E CB -0.313 29.335 29.700 -0.087 0.000 0.746 644 E HN 0.365 nan 8.360 nan 0.000 0.452 645 L N 1.185 122.416 121.223 0.014 0.000 2.056 645 L HA -0.188 4.153 4.340 0.002 0.000 0.207 645 L C 2.145 179.192 176.870 0.295 0.000 1.078 645 L CA 1.648 56.589 54.840 0.168 0.000 0.749 645 L CB -0.214 41.916 42.059 0.117 0.000 0.901 645 L HN 0.021 nan 8.230 nan 0.000 0.433 646 Q N -1.140 118.730 119.800 0.116 0.000 2.123 646 Q HA -0.160 4.182 4.340 0.002 0.000 0.199 646 Q C 2.190 178.278 176.000 0.147 0.000 0.966 646 Q CA 1.737 57.605 55.803 0.108 0.000 0.845 646 Q CB -0.427 28.308 28.738 -0.006 0.000 0.907 646 Q HN 0.705 nan 8.270 nan 0.000 0.439 647 H N -1.715 117.365 119.070 0.018 0.000 2.436 647 H HA -0.115 4.443 4.556 0.002 0.000 0.294 647 H C 1.692 176.839 175.328 -0.302 0.000 1.048 647 H CA 0.550 56.476 56.048 -0.204 0.000 1.353 647 H CB 0.054 29.645 29.762 -0.284 0.000 1.414 647 H HN 0.288 nan 8.280 nan 0.000 0.536 648 W N 1.321 122.604 121.300 -0.028 0.000 2.352 648 W HA -0.250 4.411 4.660 0.002 0.000 0.322 648 W C 2.312 178.945 176.519 0.190 0.000 1.208 648 W CA 1.203 58.626 57.345 0.131 0.000 1.286 648 W CB -0.880 28.701 29.460 0.201 0.000 1.167 648 W HN 0.283 nan 8.180 nan 0.000 0.469 649 W N 1.949 123.075 121.300 -0.291 0.000 2.358 649 W HA -0.238 4.423 4.660 0.002 0.000 0.303 649 W C 2.335 178.629 176.519 -0.375 0.000 1.208 649 W CA 1.900 58.926 57.345 -0.531 0.000 1.274 649 W CB -0.432 28.882 29.460 -0.242 0.000 1.138 649 W HN -0.034 nan 8.180 nan 0.000 0.515 650 K N 0.701 120.990 120.400 -0.184 0.000 2.032 650 K HA -0.282 4.039 4.320 0.002 0.000 0.209 650 K C 2.001 178.359 176.600 -0.404 0.000 1.048 650 K CA 2.006 58.123 56.287 -0.283 0.000 0.927 650 K CB -0.485 31.944 32.500 -0.119 0.000 0.712 650 K HN 0.155 nan 8.250 nan 0.000 0.441 651 E N -0.428 119.569 120.200 -0.339 0.000 2.107 651 E HA -0.122 4.229 4.350 0.002 0.000 0.191 651 E C 1.752 178.094 176.600 -0.431 0.000 0.982 651 E CA 0.751 56.969 56.400 -0.304 0.000 0.809 651 E CB -0.039 29.617 29.700 -0.074 0.000 0.756 651 E HN 0.398 nan 8.360 nan 0.000 0.459 652 A N 0.435 122.951 122.820 -0.507 0.000 1.933 652 A HA -0.132 4.189 4.320 0.002 0.000 0.218 652 A C 2.284 179.392 177.584 -0.793 0.000 1.175 652 A CA 1.398 53.075 52.037 -0.599 0.000 0.628 652 A CB -0.400 18.221 19.000 -0.632 0.000 0.814 652 A HN 0.216 nan 8.150 nan 0.000 0.444 653 V N -0.424 118.867 119.914 -1.039 0.000 2.331 653 V HA -0.159 3.962 4.120 0.002 0.000 0.242 653 V C 2.347 177.976 176.094 -0.776 0.000 1.034 653 V CA 1.933 63.487 62.300 -1.243 0.000 1.027 653 V CB -0.763 30.060 31.823 -1.668 0.000 0.667 653 V HN 0.598 nan 8.190 nan 0.000 0.457 654 E N 0.005 119.834 120.200 -0.618 0.000 2.072 654 E HA -0.149 4.202 4.350 0.002 0.000 0.190 654 E C 2.175 178.538 176.600 -0.395 0.000 0.982 654 E CA 1.028 57.169 56.400 -0.432 0.000 0.803 654 E CB 0.016 29.509 29.700 -0.347 0.000 0.755 654 E HN 0.539 nan 8.360 nan 0.000 0.453 655 K N -0.285 119.805 120.400 -0.516 0.000 2.190 655 K HA 0.077 4.398 4.320 0.002 0.000 0.202 655 K C 2.221 178.356 176.600 -0.775 0.000 1.045 655 K CA 0.619 56.511 56.287 -0.658 0.000 0.976 655 K CB 0.004 31.948 32.500 -0.927 0.000 0.849 655 K HN 0.049 nan 8.250 nan 0.000 0.468 656 G N 1.304 109.606 108.800 -0.829 0.000 2.453 656 G HA2 -0.202 3.759 3.960 0.002 0.000 0.215 656 G HA3 -0.202 3.759 3.960 0.002 0.000 0.215 656 G C 0.917 175.494 174.900 -0.539 0.000 1.201 656 G CA 0.798 45.526 45.100 -0.621 0.000 0.784 656 G HN 0.294 nan 8.290 nan 0.000 0.545 657 H N 0.749 119.626 119.070 -0.323 0.000 2.507 657 H HA 0.258 4.815 4.556 0.002 0.000 0.281 657 H C 2.108 177.421 175.328 -0.024 0.000 1.160 657 H CA 0.145 56.165 56.048 -0.046 0.000 0.981 657 H CB 0.278 30.166 29.762 0.210 0.000 1.665 657 H HN 0.333 nan 8.280 nan 0.000 0.554 658 G N 0.797 109.552 108.800 -0.075 0.000 2.503 658 G HA2 -0.275 3.686 3.960 0.002 0.000 0.221 658 G HA3 -0.275 3.686 3.960 0.002 0.000 0.221 658 G C 1.227 176.150 174.900 0.040 0.000 1.131 658 G CA 0.604 45.653 45.100 -0.084 0.000 0.756 658 G HN 0.369 nan 8.290 nan 0.000 0.572 659 D N -0.304 120.187 120.400 0.151 0.000 2.350 659 D HA -0.005 4.636 4.640 0.002 0.000 0.216 659 D C 1.426 177.852 176.300 0.211 0.000 0.968 659 D CA 0.500 54.618 54.000 0.196 0.000 0.894 659 D CB 0.305 41.281 40.800 0.293 0.000 0.909 659 D HN 0.245 nan 8.370 nan 0.000 0.520 660 L N 0.222 121.600 121.223 0.258 0.000 3.122 660 L HA 0.109 4.450 4.340 0.002 0.000 0.274 660 L C 1.820 178.852 176.870 0.270 0.000 1.222 660 L CA 0.033 55.035 54.840 0.270 0.000 1.028 660 L CB 0.358 42.652 42.059 0.390 0.000 1.386 660 L HN -0.107 nan 8.230 nan 0.000 0.578 661 K N -1.928 118.529 120.400 0.095 0.000 2.211 661 K HA -0.054 4.267 4.320 0.002 0.000 0.203 661 K C 0.176 176.730 176.600 -0.077 0.000 1.050 661 K CA 1.341 57.568 56.287 -0.100 0.000 0.945 661 K CB 0.021 32.395 32.500 -0.210 0.000 0.732 661 K HN 0.143 nan 8.250 nan 0.000 0.451 662 D N 1.242 121.625 120.400 -0.028 0.000 2.460 662 D HA 0.088 4.729 4.640 0.002 0.000 0.229 662 D C -0.441 175.815 176.300 -0.073 0.000 1.170 662 D CA 0.138 54.111 54.000 -0.045 0.000 0.827 662 D CB 0.406 41.185 40.800 -0.034 0.000 0.973 662 D HN 0.102 nan 8.370 nan 0.000 0.496 663 K N 1.599 121.907 120.400 -0.153 0.000 2.205 663 K HA 0.154 4.475 4.320 0.002 0.000 0.279 663 K C -1.395 174.885 176.600 -0.532 0.000 1.027 663 K CA -1.582 54.441 56.287 -0.441 0.000 0.932 663 K CB 1.792 33.735 32.500 -0.928 0.000 1.032 663 K HN -0.073 nan 8.250 nan 0.000 0.466 664 P HA -0.121 nan 4.420 nan 0.000 0.222 664 P C 0.845 178.097 177.300 -0.081 0.000 1.147 664 P CA 1.105 64.129 63.100 -0.127 0.000 0.790 664 P CB -0.024 31.666 31.700 -0.016 0.000 0.780 665 W N -2.145 119.133 121.300 -0.036 0.000 3.180 665 W HA 0.135 4.796 4.660 0.002 0.000 0.254 665 W C -0.380 176.121 176.519 -0.030 0.000 1.318 665 W CA -1.073 56.225 57.345 -0.078 0.000 1.608 665 W CB -1.479 27.864 29.460 -0.195 0.000 1.124 665 W HN -0.176 nan 8.180 nan 0.000 0.694 666 W N 5.178 126.469 121.300 -0.014 0.000 2.368 666 W HA 0.176 4.837 4.660 0.002 0.000 0.316 666 W C -1.334 175.354 176.519 0.280 0.000 1.375 666 W CA -1.691 55.749 57.345 0.159 0.000 1.261 666 W CB 0.086 29.480 29.460 -0.109 0.000 1.298 666 W HN -0.316 nan 8.180 nan 0.000 0.539 667 P HA -0.013 nan 4.420 nan 0.000 0.266 667 P C -0.919 176.669 177.300 0.479 0.000 1.193 667 P CA 0.293 63.667 63.100 0.457 0.000 0.770 667 P CB 0.749 32.675 31.700 0.376 0.000 0.836 668 K N 1.802 122.356 120.400 0.257 0.000 2.244 668 K HA 0.385 4.706 4.320 0.002 0.000 0.260 668 K C -0.422 176.214 176.600 0.061 0.000 0.951 668 K CA -1.000 55.416 56.287 0.216 0.000 0.826 668 K CB 1.134 33.726 32.500 0.153 0.000 1.108 668 K HN 0.199 nan 8.250 nan 0.000 0.433 669 L N 4.069 125.288 121.223 -0.007 0.000 2.423 669 L HA 0.057 4.398 4.340 0.002 0.000 0.249 669 L C 0.725 177.577 176.870 -0.030 0.000 1.276 669 L CA 0.688 55.474 54.840 -0.091 0.000 1.199 669 L CB -0.070 41.902 42.059 -0.145 0.000 1.407 669 L HN 0.571 nan 8.230 nan 0.000 0.410 670 Q N -0.459 119.334 119.800 -0.011 0.000 2.317 670 Q HA 0.226 4.567 4.340 0.002 0.000 0.220 670 Q C 0.710 176.702 176.000 -0.014 0.000 0.873 670 Q CA 0.284 56.087 55.803 -0.000 0.000 0.936 670 Q CB 0.900 29.651 28.738 0.021 0.000 1.105 670 Q HN 0.595 nan 8.270 nan 0.000 0.520 671 T N -3.751 110.784 114.554 -0.030 0.000 2.901 671 T HA 0.413 4.764 4.350 0.002 0.000 0.293 671 T C 1.022 175.686 174.700 -0.059 0.000 1.084 671 T CA -0.791 61.291 62.100 -0.030 0.000 1.008 671 T CB 1.107 69.969 68.868 -0.011 0.000 1.170 671 T HN -0.168 nan 8.240 nan 0.000 0.509 672 L N 0.494 121.689 121.223 -0.046 0.000 2.042 672 L HA -0.093 4.248 4.340 0.002 0.000 0.210 672 L C 2.681 179.519 176.870 -0.053 0.000 1.076 672 L CA 2.229 57.038 54.840 -0.053 0.000 0.749 672 L CB -0.977 41.075 42.059 -0.012 0.000 0.893 672 L HN 0.966 nan 8.230 nan 0.000 0.432 673 E N -0.205 119.975 120.200 -0.033 0.000 2.077 673 E HA -0.235 4.116 4.350 0.002 0.000 0.193 673 E C 1.681 178.262 176.600 -0.033 0.000 0.989 673 E CA 1.359 57.743 56.400 -0.026 0.000 0.800 673 E CB 0.192 29.887 29.700 -0.009 0.000 0.746 673 E HN 0.440 nan 8.360 nan 0.000 0.452 674 D N 0.481 120.857 120.400 -0.040 0.000 2.117 674 D HA -0.166 4.475 4.640 0.002 0.000 0.197 674 D C 2.052 178.291 176.300 -0.102 0.000 0.987 674 D CA 0.661 54.629 54.000 -0.053 0.000 0.829 674 D CB -0.226 40.538 40.800 -0.060 0.000 0.961 674 D HN 0.195 nan 8.370 nan 0.000 0.460 675 L N 0.924 122.072 121.223 -0.125 0.000 2.046 675 L HA -0.134 4.207 4.340 0.002 0.000 0.208 675 L C 2.316 179.127 176.870 -0.097 0.000 1.077 675 L CA 1.231 55.986 54.840 -0.142 0.000 0.747 675 L CB -0.485 41.454 42.059 -0.200 0.000 0.896 675 L HN -0.153 nan 8.230 nan 0.000 0.432 676 V N -0.152 119.712 119.914 -0.083 0.000 2.287 676 V HA -0.327 3.794 4.120 0.002 0.000 0.248 676 V C 2.589 178.634 176.094 -0.082 0.000 1.053 676 V CA 2.075 64.323 62.300 -0.086 0.000 1.027 676 V CB -0.627 31.151 31.823 -0.076 0.000 0.646 676 V HN 0.617 nan 8.190 nan 0.000 0.447 677 E N -0.035 120.136 120.200 -0.047 0.000 2.038 677 E HA -0.218 4.133 4.350 0.002 0.000 0.195 677 E C 2.253 178.874 176.600 0.036 0.000 1.000 677 E CA 2.000 58.396 56.400 -0.006 0.000 0.803 677 E CB -0.108 29.611 29.700 0.032 0.000 0.750 677 E HN 0.380 nan 8.360 nan 0.000 0.448 678 V N 0.638 120.580 119.914 0.046 0.000 2.287 678 V HA -0.348 3.773 4.120 0.002 0.000 0.248 678 V C 2.604 178.794 176.094 0.160 0.000 1.053 678 V CA 1.811 64.193 62.300 0.136 0.000 1.027 678 V CB -0.478 31.212 31.823 -0.222 0.000 0.646 678 V HN 0.562 nan 8.190 nan 0.000 0.447 679 C N -0.712 118.619 119.300 0.051 0.000 2.429 679 C HA -0.126 4.335 4.460 0.002 0.000 0.277 679 C C 2.630 177.600 174.990 -0.032 0.000 1.262 679 C CA 1.133 60.159 59.018 0.014 0.000 1.733 679 C CB -1.024 26.671 27.740 -0.075 0.000 2.010 679 C HN 0.626 nan 8.230 nan 0.000 0.483 680 L N 1.051 122.223 121.223 -0.086 0.000 1.994 680 L HA -0.063 4.278 4.340 0.002 0.000 0.208 680 L C 2.205 179.066 176.870 -0.015 0.000 1.071 680 L CA 1.925 56.659 54.840 -0.176 0.000 0.745 680 L CB -0.723 41.133 42.059 -0.340 0.000 0.892 680 L HN 0.322 nan 8.230 nan 0.000 0.431 681 I N -0.752 119.863 120.570 0.075 0.000 2.226 681 I HA -0.330 3.842 4.170 0.002 0.000 0.245 681 I C 2.446 178.690 176.117 0.212 0.000 1.100 681 I CA 1.578 62.964 61.300 0.143 0.000 1.374 681 I CB -0.322 37.533 38.000 -0.242 0.000 1.057 681 I HN 0.266 nan 8.210 nan 0.000 0.413 682 I N 0.653 121.350 120.570 0.213 0.000 2.226 682 I HA -0.292 3.879 4.170 0.002 0.000 0.245 682 I C 2.443 178.661 176.117 0.168 0.000 1.100 682 I CA 1.627 63.067 61.300 0.233 0.000 1.374 682 I CB -0.202 37.929 38.000 0.219 0.000 1.057 682 I HN 0.160 nan 8.210 nan 0.000 0.413 683 I N -0.346 120.253 120.570 0.048 0.000 2.252 683 I HA -0.303 3.869 4.170 0.002 0.000 0.245 683 I C 2.474 178.624 176.117 0.056 0.000 1.102 683 I CA 1.220 62.440 61.300 -0.134 0.000 1.385 683 I CB -0.494 37.315 38.000 -0.318 0.000 1.064 683 I HN 0.525 nan 8.210 nan 0.000 0.414 684 W N 2.438 123.770 121.300 0.053 0.000 2.335 684 W HA -0.241 4.421 4.660 0.002 0.000 0.311 684 W C 2.266 178.912 176.519 0.212 0.000 1.213 684 W CA 1.702 59.160 57.345 0.188 0.000 1.274 684 W CB -0.279 29.408 29.460 0.378 0.000 1.148 684 W HN 0.058 nan 8.180 nan 0.000 0.498 685 I N 1.467 122.119 120.570 0.136 0.000 2.163 685 I HA -0.322 3.849 4.170 0.002 0.000 0.243 685 I C 2.817 178.974 176.117 0.066 0.000 1.085 685 I CA 1.903 63.254 61.300 0.084 0.000 1.347 685 I CB -1.137 37.027 38.000 0.273 0.000 1.044 685 I HN -0.034 nan 8.210 nan 0.000 0.408 686 A N 0.429 123.318 122.820 0.115 0.000 1.933 686 A HA -0.211 4.111 4.320 0.002 0.000 0.218 686 A C 2.386 180.041 177.584 0.118 0.000 1.175 686 A CA 2.492 54.600 52.037 0.118 0.000 0.628 686 A CB -0.634 18.478 19.000 0.186 0.000 0.814 686 A HN 0.565 nan 8.150 nan 0.000 0.444 687 S N -1.081 114.667 115.700 0.080 0.000 2.650 687 S HA 0.453 4.924 4.470 0.002 0.000 0.182 687 S C 2.195 176.817 174.600 0.037 0.000 0.832 687 S CA 0.784 59.053 58.200 0.116 0.000 0.860 687 S CB -0.892 62.391 63.200 0.138 0.000 0.818 687 S HN 0.842 nan 8.310 nan 0.000 0.600 688 A N 1.421 124.141 122.820 -0.166 0.000 1.898 688 A HA 0.132 4.453 4.320 0.002 0.000 0.216 688 A C 2.302 179.632 177.584 -0.423 0.000 1.181 688 A CA 1.594 53.443 52.037 -0.314 0.000 0.620 688 A CB -1.095 17.567 19.000 -0.563 0.000 0.819 688 A HN 0.546 nan 8.150 nan 0.000 0.442 689 L N -0.701 120.061 121.223 -0.769 0.000 2.017 689 L HA -0.195 4.147 4.340 0.002 0.000 0.208 689 L C 2.436 179.282 176.870 -0.039 0.000 1.073 689 L CA 2.714 57.330 54.840 -0.373 0.000 0.745 689 L CB -0.781 41.050 42.059 -0.380 0.000 0.894 689 L HN 0.644 nan 8.230 nan 0.000 0.432 690 H N -0.534 118.501 119.070 -0.059 0.000 2.387 690 H HA -0.130 4.427 4.556 0.002 0.000 0.299 690 H C 1.907 177.286 175.328 0.085 0.000 1.090 690 H CA 1.386 57.465 56.048 0.052 0.000 1.332 690 H CB 0.268 30.064 29.762 0.057 0.000 1.386 690 H HN 0.503 nan 8.280 nan 0.000 0.516 691 A N 1.418 124.293 122.820 0.090 0.000 1.865 691 A HA -0.142 4.179 4.320 0.002 0.000 0.217 691 A C 2.762 180.423 177.584 0.127 0.000 1.191 691 A CA 2.049 54.232 52.037 0.243 0.000 0.623 691 A CB -1.268 17.899 19.000 0.279 0.000 0.826 691 A HN 0.579 nan 8.150 nan 0.000 0.444 692 A N -0.227 122.653 122.820 0.100 0.000 1.892 692 A HA -0.088 4.233 4.320 0.002 0.000 0.218 692 A C 2.288 179.907 177.584 0.059 0.000 1.188 692 A CA 2.728 54.847 52.037 0.137 0.000 0.631 692 A CB -1.281 17.893 19.000 0.290 0.000 0.822 692 A HN 1.205 nan 8.150 nan 0.000 0.447 693 V N -2.160 117.758 119.914 0.007 0.000 2.951 693 V HA -0.024 4.097 4.120 0.002 0.000 0.255 693 V C 1.785 177.848 176.094 -0.052 0.000 1.088 693 V CA 2.147 64.488 62.300 0.069 0.000 1.109 693 V CB -1.020 30.871 31.823 0.114 0.000 0.724 693 V HN 0.538 nan 8.190 nan 0.000 0.471 694 N N 0.518 119.006 118.700 -0.353 0.000 2.322 694 N HA 0.107 4.848 4.740 0.002 0.000 0.186 694 N C 1.244 176.431 175.510 -0.539 0.000 1.037 694 N CA 1.161 53.817 53.050 -0.656 0.000 0.869 694 N CB -0.234 37.551 38.487 -1.169 0.000 1.036 694 N HN 0.398 nan 8.380 nan 0.000 0.439 695 F N -0.070 119.815 119.950 -0.108 0.000 2.802 695 F HA 0.302 4.830 4.527 0.002 0.000 0.300 695 F C 2.016 177.850 175.800 0.056 0.000 1.168 695 F CA 0.435 58.398 58.000 -0.062 0.000 1.433 695 F CB -0.239 38.698 39.000 -0.106 0.000 1.115 695 F HN 0.151 nan 8.300 nan 0.000 0.582 696 G N -1.268 107.656 108.800 0.206 0.000 3.088 696 G HA2 -0.018 3.943 3.960 0.002 0.000 0.217 696 G HA3 -0.018 3.943 3.960 0.002 0.000 0.217 696 G C 1.384 176.480 174.900 0.327 0.000 1.159 696 G CA -0.082 45.277 45.100 0.432 0.000 0.760 696 G HN 0.257 nan 8.290 nan 0.000 0.550 697 Q N -0.463 119.428 119.800 0.151 0.000 1.975 697 Q HA -0.196 4.145 4.340 0.002 0.000 0.205 697 Q C 2.040 178.128 176.000 0.147 0.000 0.990 697 Q CA 1.639 57.502 55.803 0.100 0.000 0.845 697 Q CB -0.265 28.511 28.738 0.063 0.000 0.913 697 Q HN 0.571 nan 8.270 nan 0.000 0.420 698 Y N 0.793 121.136 120.300 0.073 0.000 2.263 698 Y HA -0.086 4.465 4.550 0.002 0.000 0.292 698 Y C -0.982 174.930 175.900 0.021 0.000 1.130 698 Y CA 0.974 59.107 58.100 0.056 0.000 1.179 698 Y CB -0.799 37.707 38.460 0.078 0.000 0.998 698 Y HN 0.084 nan 8.280 nan 0.000 0.532 699 P HA -0.264 nan 4.420 nan 0.000 0.219 699 P C 0.774 177.873 177.300 -0.336 0.000 1.158 699 P CA 2.392 65.392 63.100 -0.167 0.000 0.895 699 P CB -0.198 31.254 31.700 -0.413 0.000 0.792 700 Y N -2.755 117.482 120.300 -0.104 0.000 2.503 700 Y HA 0.262 4.813 4.550 0.002 0.000 0.277 700 Y C 2.502 178.281 175.900 -0.201 0.000 1.102 700 Y CA 1.033 59.055 58.100 -0.130 0.000 1.261 700 Y CB -0.773 37.653 38.460 -0.056 0.000 1.096 700 Y HN -0.086 nan 8.280 nan 0.000 0.546 701 G N -0.993 107.767 108.800 -0.066 0.000 2.796 701 G HA2 0.042 4.003 3.960 0.002 0.000 0.210 701 G HA3 0.042 4.003 3.960 0.002 0.000 0.210 701 G C 1.894 176.583 174.900 -0.352 0.000 1.146 701 G CA 0.529 45.530 45.100 -0.165 0.000 0.779 701 G HN 0.439 nan 8.290 nan 0.000 0.535 702 G N 0.389 108.814 108.800 -0.624 0.000 2.475 702 G HA2 -0.137 3.824 3.960 0.002 0.000 0.220 702 G HA3 -0.137 3.824 3.960 0.002 0.000 0.220 702 G C 0.792 175.320 174.900 -0.620 0.000 1.125 702 G CA 0.166 44.632 45.100 -1.056 0.000 0.755 702 G HN 0.374 nan 8.290 nan 0.000 0.565 703 L N 1.748 122.670 121.223 -0.502 0.000 2.282 703 L HA 0.322 4.663 4.340 0.002 0.000 0.287 703 L C 1.455 178.013 176.870 -0.520 0.000 1.075 703 L CA -0.390 54.149 54.840 -0.502 0.000 0.839 703 L CB 0.804 42.555 42.059 -0.513 0.000 1.219 703 L HN 0.075 nan 8.230 nan 0.000 0.434 704 I N 4.998 125.288 120.570 -0.466 0.000 2.315 704 I HA -0.290 3.881 4.170 0.002 0.000 0.251 704 I C 1.974 177.843 176.117 -0.415 0.000 1.125 704 I CA 1.819 62.894 61.300 -0.375 0.000 1.392 704 I CB 0.138 37.974 38.000 -0.273 0.000 1.065 704 I HN 0.731 nan 8.210 nan 0.000 0.424 705 M N -0.211 119.016 119.600 -0.622 0.000 2.374 705 M HA -0.140 4.342 4.480 0.002 0.000 0.264 705 M C 1.880 177.702 176.300 -0.796 0.000 1.067 705 M CA 1.397 56.288 55.300 -0.682 0.000 1.103 705 M CB -0.703 31.122 32.600 -1.291 0.000 1.402 705 M HN 0.288 nan 8.290 nan 0.000 0.444 706 N N 0.327 118.530 118.700 -0.828 0.000 2.290 706 N HA -0.009 4.732 4.740 0.002 0.000 0.179 706 N C 0.167 175.583 175.510 -0.158 0.000 1.016 706 N CA 0.872 53.670 53.050 -0.420 0.000 0.871 706 N CB 0.459 38.741 38.487 -0.341 0.000 0.987 706 N HN -0.011 nan 8.380 nan 0.000 0.431 707 R N 0.617 120.998 120.500 -0.198 0.000 2.681 707 R HA 0.318 4.659 4.340 0.002 0.000 0.277 707 R C -2.700 173.514 176.300 -0.142 0.000 1.563 707 R CA -1.520 54.510 56.100 -0.117 0.000 1.673 707 R CB 1.287 31.527 30.300 -0.100 0.000 1.258 707 R HN 0.305 nan 8.270 nan 0.000 0.650 708 P HA 0.058 nan 4.420 nan 0.000 0.275 708 P C 0.707 177.890 177.300 -0.194 0.000 1.227 708 P CA 0.114 63.105 63.100 -0.183 0.000 0.781 708 P CB 1.046 32.632 31.700 -0.189 0.000 0.906 709 T N -0.873 113.494 114.554 -0.311 0.000 3.060 709 T HA 0.477 4.828 4.350 0.002 0.000 0.249 709 T C 0.562 175.085 174.700 -0.294 0.000 1.079 709 T CA -0.009 61.787 62.100 -0.506 0.000 1.013 709 T CB 0.035 68.237 68.868 -1.109 0.000 0.975 709 T HN 0.631 nan 8.240 nan 0.000 0.518 710 A N 0.921 123.630 122.820 -0.185 0.000 2.577 710 A HA 0.669 4.990 4.320 0.002 0.000 0.297 710 A C -0.610 176.926 177.584 -0.081 0.000 1.060 710 A CA -0.906 51.076 52.037 -0.092 0.000 0.697 710 A CB 1.203 20.143 19.000 -0.100 0.000 1.281 710 A HN 0.396 nan 8.150 nan 0.000 0.402 711 S N 0.715 116.407 115.700 -0.013 0.000 2.549 711 S HA 0.711 5.182 4.470 0.002 0.000 0.297 711 S C 0.267 174.884 174.600 0.028 0.000 1.115 711 S CA -0.878 57.328 58.200 0.009 0.000 1.059 711 S CB 1.839 65.144 63.200 0.175 0.000 1.046 711 S HN 0.710 nan 8.310 nan 0.000 0.506 712 R N -0.011 120.499 120.500 0.017 0.000 2.487 712 R HA 0.322 4.663 4.340 0.002 0.000 0.272 712 R C 0.390 176.711 176.300 0.036 0.000 0.928 712 R CA -0.081 56.028 56.100 0.014 0.000 1.077 712 R CB 0.604 30.896 30.300 -0.014 0.000 1.265 712 R HN 0.638 nan 8.270 nan 0.000 0.537 713 R N 0.717 121.265 120.500 0.080 0.000 2.626 713 R HA 0.260 4.601 4.340 0.002 0.000 0.274 713 R C -1.389 175.017 176.300 0.176 0.000 1.031 713 R CA -0.656 55.500 56.100 0.093 0.000 0.898 713 R CB 1.360 31.708 30.300 0.079 0.000 1.222 713 R HN -0.138 nan 8.270 nan 0.000 0.455 714 L N 2.112 123.401 121.223 0.110 0.000 2.567 714 L HA 0.423 4.764 4.340 0.002 0.000 0.238 714 L C -0.187 176.853 176.870 0.285 0.000 1.168 714 L CA -0.542 54.370 54.840 0.119 0.000 0.817 714 L CB 0.287 42.300 42.059 -0.078 0.000 1.409 714 L HN 0.578 nan 8.230 nan 0.000 0.502 715 L N 2.188 123.630 121.223 0.365 0.000 2.380 715 L HA 0.366 4.707 4.340 0.002 0.000 0.273 715 L C -2.078 174.934 176.870 0.237 0.000 1.138 715 L CA -1.170 53.863 54.840 0.321 0.000 0.832 715 L CB 0.158 42.394 42.059 0.294 0.000 1.124 715 L HN 0.440 nan 8.230 nan 0.000 0.454 716 P HA 0.180 nan 4.420 nan 0.000 0.271 716 P C -1.093 176.377 177.300 0.283 0.000 1.218 716 P CA -0.342 62.899 63.100 0.235 0.000 0.780 716 P CB 0.483 32.328 31.700 0.242 0.000 0.901 717 E N 1.379 121.689 120.200 0.183 0.000 2.277 717 E HA 0.164 4.516 4.350 0.002 0.000 0.274 717 E C -0.002 176.552 176.600 -0.075 0.000 1.022 717 E CA -0.748 55.699 56.400 0.077 0.000 0.853 717 E CB 1.092 30.810 29.700 0.030 0.000 1.086 717 E HN 0.341 nan 8.360 nan 0.000 0.397 718 K N -0.004 120.156 120.400 -0.401 0.000 2.448 718 K HA 0.147 4.468 4.320 0.002 0.000 0.278 718 K C 0.769 177.146 176.600 -0.372 0.000 1.009 718 K CA 1.058 56.812 56.287 -0.888 0.000 0.995 718 K CB 0.122 32.143 32.500 -0.798 0.000 0.917 718 K HN 0.690 nan 8.250 nan 0.000 0.481 719 G N 2.021 110.653 108.800 -0.280 0.000 2.176 719 G HA2 -0.260 3.701 3.960 0.002 0.000 0.232 719 G HA3 -0.260 3.701 3.960 0.002 0.000 0.232 719 G C 0.074 174.960 174.900 -0.022 0.000 0.986 719 G CA 0.402 45.441 45.100 -0.101 0.000 0.643 719 G HN 0.852 nan 8.290 nan 0.000 0.522 720 T N -1.869 112.694 114.554 0.015 0.000 2.943 720 T HA 0.726 5.077 4.350 0.002 0.000 0.284 720 T C -0.630 174.132 174.700 0.104 0.000 1.015 720 T CA -0.988 61.148 62.100 0.060 0.000 1.042 720 T CB 2.833 71.743 68.868 0.070 0.000 1.055 720 T HN -0.050 nan 8.240 nan 0.000 0.500 721 P HA -0.162 nan 4.420 nan 0.000 0.218 721 P C 1.178 178.541 177.300 0.105 0.000 1.148 721 P CA 1.223 64.374 63.100 0.087 0.000 0.822 721 P CB 0.149 31.886 31.700 0.062 0.000 0.784 722 E N -0.832 119.437 120.200 0.115 0.000 2.274 722 E HA -0.190 4.161 4.350 0.002 0.000 0.194 722 E C 2.095 178.785 176.600 0.149 0.000 0.996 722 E CA 0.761 57.230 56.400 0.115 0.000 0.840 722 E CB -1.303 28.461 29.700 0.107 0.000 0.772 722 E HN 0.356 nan 8.360 nan 0.000 0.491 723 Y N 1.851 122.183 120.300 0.054 0.000 2.220 723 Y HA -0.098 4.453 4.550 0.002 0.000 0.291 723 Y C 2.217 178.149 175.900 0.053 0.000 1.129 723 Y CA 1.719 59.853 58.100 0.058 0.000 1.161 723 Y CB 0.190 38.681 38.460 0.052 0.000 0.997 723 Y HN -0.066 nan 8.280 nan 0.000 0.522 724 E N 0.481 120.822 120.200 0.236 0.000 2.150 724 E HA -0.204 4.147 4.350 0.002 0.000 0.193 724 E C 2.056 178.690 176.600 0.057 0.000 0.985 724 E CA 1.335 57.817 56.400 0.137 0.000 0.814 724 E CB -0.165 29.611 29.700 0.126 0.000 0.752 724 E HN 0.626 nan 8.360 nan 0.000 0.466 725 E N -0.386 119.847 120.200 0.055 0.000 2.150 725 E HA -0.192 4.159 4.350 0.002 0.000 0.193 725 E C 1.844 178.452 176.600 0.014 0.000 0.985 725 E CA 0.982 57.403 56.400 0.035 0.000 0.814 725 E CB -0.015 29.711 29.700 0.044 0.000 0.752 725 E HN 0.275 nan 8.360 nan 0.000 0.466 726 M N 0.278 119.867 119.600 -0.018 0.000 2.080 726 M HA -0.201 4.280 4.480 0.002 0.000 0.260 726 M C 2.299 178.579 176.300 -0.033 0.000 1.068 726 M CA 1.430 56.706 55.300 -0.040 0.000 1.109 726 M CB -0.370 32.139 32.600 -0.152 0.000 1.342 726 M HN 0.233 nan 8.290 nan 0.000 0.405 727 I N 0.358 120.881 120.570 -0.078 0.000 2.113 727 I HA -0.310 3.862 4.170 0.002 0.000 0.238 727 I C 1.914 178.035 176.117 0.007 0.000 1.070 727 I CA 1.268 62.542 61.300 -0.044 0.000 1.332 727 I CB -0.658 37.326 38.000 -0.027 0.000 1.044 727 I HN 0.358 nan 8.210 nan 0.000 0.402 728 N N 0.527 119.237 118.700 0.017 0.000 2.463 728 N HA -0.067 4.674 4.740 0.002 0.000 0.181 728 N C 0.409 175.935 175.510 0.026 0.000 1.078 728 N CA 0.685 53.749 53.050 0.023 0.000 0.902 728 N CB -0.064 38.436 38.487 0.021 0.000 0.970 728 N HN 0.294 nan 8.380 nan 0.000 0.451 729 N N 0.191 118.907 118.700 0.026 0.000 2.658 729 N HA -0.050 4.691 4.740 0.002 0.000 0.238 729 N C 0.807 176.279 175.510 -0.065 0.000 1.495 729 N CA -0.182 52.853 53.050 -0.024 0.000 0.883 729 N CB -0.465 38.001 38.487 -0.035 0.000 1.463 729 N HN 0.177 nan 8.380 nan 0.000 0.531 730 H N -0.266 118.761 119.070 -0.072 0.000 2.472 730 H HA -0.144 4.413 4.556 0.002 0.000 0.296 730 H C 0.442 175.720 175.328 -0.083 0.000 1.120 730 H CA 1.658 57.673 56.048 -0.055 0.000 1.250 730 H CB 0.209 29.938 29.762 -0.055 0.000 1.366 730 H HN 0.484 nan 8.280 nan 0.000 0.524 731 E N 0.569 120.222 120.200 -0.910 0.000 2.072 731 E HA -0.106 4.245 4.350 0.002 0.000 0.190 731 E C 2.308 178.731 176.600 -0.294 0.000 0.982 731 E CA 0.893 56.717 56.400 -0.959 0.000 0.803 731 E CB 0.062 28.954 29.700 -1.347 0.000 0.755 731 E HN 0.267 nan 8.360 nan 0.000 0.453 732 K N 1.546 121.840 120.400 -0.176 0.000 2.097 732 K HA -0.074 4.247 4.320 0.002 0.000 0.206 732 K C 1.819 178.442 176.600 0.038 0.000 1.049 732 K CA 1.313 57.593 56.287 -0.012 0.000 0.933 732 K CB -0.396 32.117 32.500 0.021 0.000 0.717 732 K HN 0.089 nan 8.250 nan 0.000 0.442 733 A N -0.302 122.538 122.820 0.032 0.000 1.883 733 A HA -0.200 4.121 4.320 0.002 0.000 0.217 733 A C 2.267 179.919 177.584 0.113 0.000 1.186 733 A CA 1.762 53.842 52.037 0.071 0.000 0.624 733 A CB -1.070 17.975 19.000 0.076 0.000 0.822 733 A HN 0.520 nan 8.150 nan 0.000 0.444 734 Y N -0.212 120.117 120.300 0.049 0.000 2.163 734 Y HA -0.137 4.415 4.550 0.002 0.000 0.288 734 Y C 2.012 177.967 175.900 0.091 0.000 1.136 734 Y CA 1.512 59.676 58.100 0.106 0.000 1.147 734 Y CB -0.114 38.523 38.460 0.296 0.000 0.987 734 Y HN 0.194 nan 8.280 nan 0.000 0.509 735 L N 0.546 121.952 121.223 0.305 0.000 2.191 735 L HA -0.189 4.152 4.340 0.002 0.000 0.212 735 L C 2.351 179.254 176.870 0.055 0.000 1.103 735 L CA 1.513 56.470 54.840 0.195 0.000 0.769 735 L CB -1.212 40.977 42.059 0.216 0.000 0.908 735 L HN 0.253 nan 8.230 nan 0.000 0.438 736 R N -1.237 119.282 120.500 0.031 0.000 2.092 736 R HA -0.102 4.239 4.340 0.002 0.000 0.231 736 R C 2.070 178.345 176.300 -0.041 0.000 1.119 736 R CA 1.683 57.782 56.100 -0.000 0.000 0.970 736 R CB -0.288 30.024 30.300 0.021 0.000 0.864 736 R HN 0.339 nan 8.270 nan 0.000 0.440 737 T N 1.508 116.003 114.554 -0.097 0.000 2.867 737 T HA -0.021 4.330 4.350 0.002 0.000 0.268 737 T C 1.247 175.822 174.700 -0.209 0.000 1.057 737 T CA 1.060 63.063 62.100 -0.163 0.000 1.136 737 T CB -0.166 68.520 68.868 -0.302 0.000 0.874 737 T HN 0.257 nan 8.240 nan 0.000 0.466 738 I N -0.779 119.642 120.570 -0.249 0.000 3.514 738 I HA 0.415 4.586 4.170 0.002 0.000 0.300 738 I C -0.059 175.979 176.117 -0.133 0.000 1.194 738 I CA -1.219 59.941 61.300 -0.232 0.000 0.968 738 I CB 0.108 37.922 38.000 -0.310 0.000 1.418 738 I HN -0.266 nan 8.210 nan 0.000 0.614 739 T N 2.193 116.664 114.554 -0.139 0.000 2.656 739 T HA -0.049 4.302 4.350 0.002 0.000 0.258 739 T C 0.409 175.061 174.700 -0.081 0.000 1.020 739 T CA 0.313 62.338 62.100 -0.126 0.000 1.191 739 T CB -0.390 68.379 68.868 -0.165 0.000 1.004 739 T HN 0.685 nan 8.240 nan 0.000 0.498 740 S N 1.775 117.405 115.700 -0.116 0.000 2.580 740 S HA 0.040 4.511 4.470 0.002 0.000 0.261 740 S C 1.709 176.151 174.600 -0.263 0.000 1.366 740 S CA -0.431 57.670 58.200 -0.164 0.000 0.996 740 S CB 0.518 63.610 63.200 -0.180 0.000 0.902 740 S HN 0.852 nan 8.310 nan 0.000 0.566 741 K N 0.880 120.979 120.400 -0.501 0.000 2.026 741 K HA -0.137 4.184 4.320 0.002 0.000 0.208 741 K C 2.018 178.270 176.600 -0.580 0.000 1.048 741 K CA 1.673 57.459 56.287 -0.834 0.000 0.929 741 K CB -0.399 31.450 32.500 -1.086 0.000 0.713 741 K HN 0.557 nan 8.250 nan 0.000 0.439 742 L N 1.397 122.161 121.223 -0.765 0.000 1.994 742 L HA -0.034 4.307 4.340 0.002 0.000 0.208 742 L C -1.295 175.304 176.870 -0.453 0.000 1.071 742 L CA 1.591 55.865 54.840 -0.943 0.000 0.745 742 L CB -1.116 40.155 42.059 -1.314 0.000 0.892 742 L HN 0.101 nan 8.230 nan 0.000 0.431 743 P HA -0.161 nan 4.420 nan 0.000 0.216 743 P C 1.584 178.795 177.300 -0.147 0.000 1.154 743 P CA 2.150 65.139 63.100 -0.185 0.000 0.865 743 P CB -0.280 31.316 31.700 -0.173 0.000 0.789 744 T N -0.395 114.064 114.554 -0.157 0.000 2.759 744 T HA -0.109 4.242 4.350 0.002 0.000 0.269 744 T C 1.706 176.360 174.700 -0.077 0.000 1.042 744 T CA 1.090 63.134 62.100 -0.092 0.000 1.140 744 T CB -0.848 68.040 68.868 0.034 0.000 0.864 744 T HN 0.093 nan 8.240 nan 0.000 0.455 745 L N 0.038 121.194 121.223 -0.112 0.000 2.093 745 L HA 0.003 4.344 4.340 0.002 0.000 0.208 745 L C 2.426 179.416 176.870 0.200 0.000 1.085 745 L CA 1.140 55.961 54.840 -0.032 0.000 0.755 745 L CB -0.602 41.240 42.059 -0.363 0.000 0.904 745 L HN 0.266 nan 8.230 nan 0.000 0.435 746 I N -0.992 119.663 120.570 0.142 0.000 2.163 746 I HA -0.261 3.910 4.170 0.002 0.000 0.240 746 I C 2.825 179.063 176.117 0.203 0.000 1.081 746 I CA 1.017 62.464 61.300 0.245 0.000 1.353 746 I CB -0.324 37.771 38.000 0.158 0.000 1.054 746 I HN 0.134 nan 8.210 nan 0.000 0.407 747 S N 0.807 116.571 115.700 0.106 0.000 2.372 747 S HA -0.207 4.264 4.470 0.002 0.000 0.227 747 S C 1.972 176.667 174.600 0.159 0.000 1.044 747 S CA 1.679 59.933 58.200 0.090 0.000 1.050 747 S CB -0.271 62.901 63.200 -0.047 0.000 0.901 747 S HN 0.181 nan 8.310 nan 0.000 0.447 748 L N 1.272 122.596 121.223 0.167 0.000 2.017 748 L HA -0.033 4.308 4.340 0.002 0.000 0.208 748 L C 2.603 179.772 176.870 0.498 0.000 1.073 748 L CA 1.720 56.731 54.840 0.286 0.000 0.745 748 L CB -1.099 41.011 42.059 0.085 0.000 0.894 748 L HN 0.225 nan 8.230 nan 0.000 0.432 749 S N -1.001 115.025 115.700 0.543 0.000 2.383 749 S HA -0.157 4.314 4.470 0.002 0.000 0.229 749 S C 1.992 176.736 174.600 0.240 0.000 1.030 749 S CA 1.446 59.897 58.200 0.419 0.000 1.002 749 S CB -0.438 63.056 63.200 0.489 0.000 0.829 749 S HN 0.307 nan 8.310 nan 0.000 0.467 750 V N 3.247 123.299 119.914 0.231 0.000 2.270 750 V HA -0.138 3.983 4.120 0.002 0.000 0.245 750 V C 2.257 178.456 176.094 0.176 0.000 1.043 750 V CA 1.645 64.048 62.300 0.171 0.000 1.014 750 V CB -1.220 30.702 31.823 0.165 0.000 0.645 750 V HN 0.660 nan 8.190 nan 0.000 0.447 751 I N -1.047 119.659 120.570 0.226 0.000 2.614 751 I HA -0.136 4.035 4.170 0.002 0.000 0.258 751 I C 2.318 178.585 176.117 0.250 0.000 1.189 751 I CA 1.823 63.261 61.300 0.231 0.000 1.462 751 I CB -0.544 37.602 38.000 0.244 0.000 1.092 751 I HN 0.355 nan 8.210 nan 0.000 0.442 752 E N 1.930 122.271 120.200 0.234 0.000 2.046 752 E HA -0.157 4.194 4.350 0.002 0.000 0.190 752 E C 2.300 178.885 176.600 -0.024 0.000 0.982 752 E CA 1.326 57.705 56.400 -0.036 0.000 0.800 752 E CB -0.026 29.534 29.700 -0.234 0.000 0.756 752 E HN 0.621 nan 8.360 nan 0.000 0.449 753 I N 0.746 121.324 120.570 0.013 0.000 2.127 753 I HA -0.313 3.858 4.170 0.002 0.000 0.241 753 I C 2.317 178.468 176.117 0.055 0.000 1.075 753 I CA 0.823 62.134 61.300 0.018 0.000 1.334 753 I CB -0.245 37.775 38.000 0.033 0.000 1.040 753 I HN 0.183 nan 8.210 nan 0.000 0.405 754 L N 0.212 121.480 121.223 0.075 0.000 2.187 754 L HA -0.169 4.172 4.340 0.002 0.000 0.213 754 L C 2.294 179.153 176.870 -0.019 0.000 1.100 754 L CA 1.649 56.521 54.840 0.053 0.000 0.765 754 L CB -0.712 41.391 42.059 0.073 0.000 0.904 754 L HN 0.118 nan 8.230 nan 0.000 0.437 755 S N -2.019 113.717 115.700 0.060 0.000 2.593 755 S HA 0.088 4.559 4.470 0.002 0.000 0.217 755 S C 0.742 175.488 174.600 0.243 0.000 0.966 755 S CA 0.025 58.313 58.200 0.146 0.000 0.914 755 S CB -0.199 63.118 63.200 0.196 0.000 0.776 755 S HN 0.342 nan 8.310 nan 0.000 0.523 756 T N 2.810 117.461 114.554 0.161 0.000 2.799 756 T HA 0.252 4.603 4.350 0.002 0.000 0.286 756 T C -0.326 174.453 174.700 0.133 0.000 0.973 756 T CA -0.358 61.813 62.100 0.119 0.000 1.035 756 T CB 0.512 69.414 68.868 0.058 0.000 0.932 756 T HN 0.239 nan 8.240 nan 0.000 0.469 757 H N 1.466 120.618 119.070 0.138 0.000 2.580 757 H HA 0.494 5.051 4.556 0.002 0.000 0.322 757 H C 0.362 175.729 175.328 0.065 0.000 1.082 757 H CA -0.427 55.663 56.048 0.069 0.000 1.383 757 H CB 1.105 30.867 29.762 -0.000 0.000 1.450 757 H HN 0.757 nan 8.280 nan 0.000 0.505 758 A N 2.038 124.961 122.820 0.171 0.000 2.304 758 A HA 0.165 4.486 4.320 0.002 0.000 0.271 758 A C 1.288 178.934 177.584 0.103 0.000 1.091 758 A CA -0.096 51.995 52.037 0.090 0.000 0.812 758 A CB 0.316 19.339 19.000 0.038 0.000 1.056 758 A HN 0.822 nan 8.150 nan 0.000 0.489 759 S N -0.012 115.735 115.700 0.078 0.000 2.481 759 S HA -0.107 4.364 4.470 0.002 0.000 0.231 759 S C 0.502 175.157 174.600 0.091 0.000 0.996 759 S CA 1.108 59.359 58.200 0.086 0.000 0.942 759 S CB -0.409 62.828 63.200 0.062 0.000 0.768 759 S HN 0.804 nan 8.310 nan 0.000 0.520 760 D N 0.575 121.031 120.400 0.093 0.000 2.336 760 D HA 0.218 4.859 4.640 0.002 0.000 0.228 760 D C 0.160 176.501 176.300 0.067 0.000 1.120 760 D CA -0.369 53.688 54.000 0.095 0.000 0.839 760 D CB -0.289 40.592 40.800 0.136 0.000 0.932 760 D HN 0.311 nan 8.370 nan 0.000 0.509 761 E N 0.434 120.653 120.200 0.031 0.000 2.360 761 E HA 0.215 4.566 4.350 0.002 0.000 0.269 761 E C -0.877 175.621 176.600 -0.170 0.000 1.022 761 E CA -0.437 55.894 56.400 -0.115 0.000 0.887 761 E CB 0.994 30.523 29.700 -0.285 0.000 0.990 761 E HN -0.032 nan 8.360 nan 0.000 0.426 762 V N 5.967 125.772 119.914 -0.182 0.000 2.398 762 V HA 0.274 4.395 4.120 0.002 0.000 0.286 762 V C -0.519 175.460 176.094 -0.192 0.000 1.026 762 V CA -0.630 61.618 62.300 -0.086 0.000 0.868 762 V CB 0.335 32.137 31.823 -0.034 0.000 0.982 762 V HN 0.617 nan 8.190 nan 0.000 0.443 763 Y N 2.875 123.173 120.300 -0.004 0.000 2.392 763 Y HA 0.508 5.059 4.550 0.002 0.000 0.323 763 Y C 0.287 176.201 175.900 0.023 0.000 1.291 763 Y CA -0.858 57.237 58.100 -0.009 0.000 1.345 763 Y CB 0.981 39.397 38.460 -0.073 0.000 1.320 763 Y HN 0.478 nan 8.280 nan 0.000 0.518 764 L N 1.829 123.188 121.223 0.226 0.000 2.513 764 L HA 0.303 4.644 4.340 0.002 0.000 0.272 764 L C 0.954 177.854 176.870 0.049 0.000 1.187 764 L CA 1.345 56.302 54.840 0.195 0.000 0.895 764 L CB -0.274 41.897 42.059 0.185 0.000 1.147 764 L HN 0.853 nan 8.230 nan 0.000 0.483 765 G N 2.700 111.558 108.800 0.096 0.000 2.157 765 G HA2 -0.204 3.757 3.960 0.002 0.000 0.239 765 G HA3 -0.204 3.757 3.960 0.002 0.000 0.239 765 G C 0.160 174.979 174.900 -0.136 0.000 0.982 765 G CA 0.268 45.206 45.100 -0.269 0.000 0.650 765 G HN 0.652 nan 8.290 nan 0.000 0.527 766 Q N -0.832 119.069 119.800 0.168 0.000 2.458 766 Q HA 0.831 5.172 4.340 0.002 0.000 0.282 766 Q C -0.265 175.863 176.000 0.213 0.000 1.106 766 Q CA -1.094 54.827 55.803 0.198 0.000 0.814 766 Q CB 1.797 30.601 28.738 0.110 0.000 1.425 766 Q HN 0.133 nan 8.270 nan 0.000 0.437 767 R N 0.489 121.067 120.500 0.130 0.000 2.837 767 R HA 0.189 4.530 4.340 0.002 0.000 0.271 767 R C -0.160 176.142 176.300 0.003 0.000 0.993 767 R CA -0.609 55.447 56.100 -0.073 0.000 0.931 767 R CB 1.471 31.624 30.300 -0.246 0.000 1.206 767 R HN 0.724 nan 8.270 nan 0.000 0.474 768 D N 0.068 120.458 120.400 -0.017 0.000 2.162 768 D HA -0.059 4.582 4.640 0.002 0.000 0.203 768 D C -0.156 176.180 176.300 0.060 0.000 0.967 768 D CA 1.141 55.161 54.000 0.033 0.000 0.840 768 D CB 0.427 41.251 40.800 0.040 0.000 0.972 768 D HN 0.243 nan 8.370 nan 0.000 0.482 769 N N -0.650 118.099 118.700 0.081 0.000 2.342 769 N HA 0.167 4.908 4.740 0.002 0.000 0.293 769 N C -2.145 173.441 175.510 0.126 0.000 1.026 769 N CA -1.633 51.476 53.050 0.098 0.000 0.857 769 N CB 2.400 40.971 38.487 0.140 0.000 1.256 769 N HN -0.112 nan 8.380 nan 0.000 0.484 770 P HA -0.034 nan 4.420 nan 0.000 0.226 770 P C -0.259 176.964 177.300 -0.129 0.000 1.153 770 P CA 1.105 64.165 63.100 -0.066 0.000 0.777 770 P CB 0.127 31.668 31.700 -0.265 0.000 0.794 771 H N -0.620 118.519 119.070 0.115 0.000 2.524 771 H HA 0.105 4.662 4.556 0.002 0.000 0.297 771 H C 1.517 176.847 175.328 0.005 0.000 1.115 771 H CA -0.680 55.364 56.048 -0.006 0.000 1.027 771 H CB -0.471 29.282 29.762 -0.014 0.000 1.591 771 H HN 0.299 nan 8.280 nan 0.000 0.543 772 W N 0.132 121.457 121.300 0.042 0.000 2.392 772 W HA -0.031 4.630 4.660 0.002 0.000 0.279 772 W C -0.261 176.265 176.519 0.013 0.000 1.225 772 W CA 0.902 58.256 57.345 0.015 0.000 1.233 772 W CB -0.269 29.165 29.460 -0.043 0.000 1.122 772 W HN 0.150 nan 8.180 nan 0.000 0.561 773 T N 0.042 114.284 114.554 -0.521 0.000 2.896 773 T HA 0.312 4.663 4.350 0.002 0.000 0.297 773 T C 0.742 175.223 174.700 -0.365 0.000 1.108 773 T CA 0.079 61.913 62.100 -0.444 0.000 1.004 773 T CB 1.690 70.175 68.868 -0.638 0.000 1.159 773 T HN -0.040 nan 8.240 nan 0.000 0.499 774 S N 1.126 116.662 115.700 -0.273 0.000 2.548 774 S HA 0.142 4.613 4.470 0.002 0.000 0.215 774 S C 0.463 174.971 174.600 -0.153 0.000 0.976 774 S CA -0.271 57.812 58.200 -0.195 0.000 0.908 774 S CB -0.070 63.035 63.200 -0.158 0.000 0.781 774 S HN 0.717 nan 8.310 nan 0.000 0.519 775 D N 2.422 122.711 120.400 -0.185 0.000 2.344 775 D HA 0.280 4.921 4.640 0.002 0.000 0.253 775 D C 0.601 176.820 176.300 -0.134 0.000 1.255 775 D CA 0.052 53.969 54.000 -0.138 0.000 0.894 775 D CB 0.894 41.637 40.800 -0.096 0.000 1.067 775 D HN 0.091 nan 8.370 nan 0.000 0.492 776 S N 3.695 119.341 115.700 -0.090 0.000 2.399 776 S HA -0.125 4.346 4.470 0.002 0.000 0.231 776 S C 1.779 176.368 174.600 -0.017 0.000 1.022 776 S CA 0.603 58.773 58.200 -0.049 0.000 0.983 776 S CB 0.191 63.370 63.200 -0.035 0.000 0.803 776 S HN 0.484 nan 8.310 nan 0.000 0.480 777 K N 1.865 122.240 120.400 -0.041 0.000 2.097 777 K HA 0.090 4.411 4.320 0.002 0.000 0.206 777 K C 2.333 178.970 176.600 0.061 0.000 1.049 777 K CA 1.236 57.511 56.287 -0.020 0.000 0.933 777 K CB -0.669 31.771 32.500 -0.100 0.000 0.717 777 K HN 0.393 nan 8.250 nan 0.000 0.442 778 A N 1.389 124.245 122.820 0.060 0.000 1.897 778 A HA -0.066 4.255 4.320 0.002 0.000 0.215 778 A C 2.333 180.164 177.584 0.413 0.000 1.181 778 A CA 0.936 53.151 52.037 0.296 0.000 0.620 778 A CB -0.589 18.576 19.000 0.276 0.000 0.821 778 A HN 0.160 nan 8.150 nan 0.000 0.443 779 L N -0.692 120.621 121.223 0.150 0.000 2.042 779 L HA -0.291 4.050 4.340 0.002 0.000 0.210 779 L C 2.892 179.933 176.870 0.284 0.000 1.076 779 L CA 1.715 56.679 54.840 0.207 0.000 0.749 779 L CB -0.663 41.406 42.059 0.018 0.000 0.893 779 L HN 0.491 nan 8.230 nan 0.000 0.432 780 Q N -0.303 119.616 119.800 0.199 0.000 2.050 780 Q HA -0.198 4.143 4.340 0.002 0.000 0.202 780 Q C 2.470 178.607 176.000 0.229 0.000 0.980 780 Q CA 1.675 57.579 55.803 0.168 0.000 0.840 780 Q CB -0.309 28.496 28.738 0.111 0.000 0.898 780 Q HN 0.572 nan 8.270 nan 0.000 0.424 781 A N 0.291 123.312 122.820 0.336 0.000 1.972 781 A HA -0.190 4.131 4.320 0.002 0.000 0.219 781 A C 1.827 179.703 177.584 0.486 0.000 1.169 781 A CA 1.046 53.355 52.037 0.452 0.000 0.635 781 A CB -0.641 18.730 19.000 0.620 0.000 0.810 781 A HN 0.417 nan 8.150 nan 0.000 0.446 782 F N 0.712 120.824 119.950 0.270 0.000 2.146 782 F HA -0.130 4.398 4.527 0.002 0.000 0.298 782 F C 2.462 178.260 175.800 -0.003 0.000 1.096 782 F CA 1.875 59.785 58.000 -0.149 0.000 1.275 782 F CB -0.576 38.471 39.000 0.079 0.000 1.008 782 F HN 0.328 nan 8.300 nan 0.000 0.480 783 Q N 0.141 119.963 119.800 0.037 0.000 2.096 783 Q HA -0.246 4.095 4.340 0.002 0.000 0.204 783 Q C 2.136 178.079 176.000 -0.094 0.000 0.982 783 Q CA 2.012 57.772 55.803 -0.071 0.000 0.850 783 Q CB -0.239 28.516 28.738 0.029 0.000 0.901 783 Q HN 0.420 nan 8.270 nan 0.000 0.422 784 K N 0.065 120.470 120.400 0.010 0.000 2.032 784 K HA -0.180 4.141 4.320 0.002 0.000 0.209 784 K C 1.868 178.464 176.600 -0.008 0.000 1.048 784 K CA 1.428 57.731 56.287 0.028 0.000 0.927 784 K CB -0.307 32.262 32.500 0.114 0.000 0.712 784 K HN 0.102 nan 8.250 nan 0.000 0.441 785 F N 1.537 121.368 119.950 -0.198 0.000 2.095 785 F HA -0.132 4.396 4.527 0.002 0.000 0.298 785 F C 2.127 177.715 175.800 -0.353 0.000 1.104 785 F CA 1.849 59.682 58.000 -0.278 0.000 1.232 785 F CB -0.956 37.736 39.000 -0.513 0.000 0.987 785 F HN 0.027 nan 8.300 nan 0.000 0.475 786 G N -0.148 108.251 108.800 -0.668 0.000 2.446 786 G HA2 -0.354 3.607 3.960 0.002 0.000 0.217 786 G HA3 -0.354 3.607 3.960 0.002 0.000 0.217 786 G C 1.500 176.154 174.900 -0.411 0.000 1.168 786 G CA 1.130 45.843 45.100 -0.645 0.000 0.771 786 G HN 0.509 nan 8.290 nan 0.000 0.551 787 N N 0.016 118.552 118.700 -0.273 0.000 2.166 787 N HA -0.090 4.651 4.740 0.002 0.000 0.186 787 N C 2.051 177.457 175.510 -0.174 0.000 1.019 787 N CA 1.110 54.051 53.050 -0.182 0.000 0.856 787 N CB -0.084 38.336 38.487 -0.112 0.000 0.993 787 N HN 0.158 nan 8.380 nan 0.000 0.426 788 K N 0.942 121.233 120.400 -0.180 0.000 2.097 788 K HA -0.021 4.300 4.320 0.002 0.000 0.205 788 K C 1.483 177.969 176.600 -0.190 0.000 1.050 788 K CA 0.812 57.019 56.287 -0.133 0.000 0.938 788 K CB -0.257 32.210 32.500 -0.056 0.000 0.718 788 K HN 0.008 nan 8.250 nan 0.000 0.442 789 L N 1.067 122.091 121.223 -0.331 0.000 2.093 789 L HA -0.071 4.270 4.340 0.002 0.000 0.208 789 L C 1.950 178.683 176.870 -0.227 0.000 1.085 789 L CA 1.711 56.363 54.840 -0.314 0.000 0.755 789 L CB -0.486 41.289 42.059 -0.474 0.000 0.904 789 L HN 0.138 nan 8.230 nan 0.000 0.435 790 K N -0.608 119.662 120.400 -0.218 0.000 2.026 790 K HA -0.178 4.143 4.320 0.002 0.000 0.208 790 K C 1.984 178.495 176.600 -0.149 0.000 1.048 790 K CA 1.483 57.664 56.287 -0.177 0.000 0.929 790 K CB -0.104 32.301 32.500 -0.158 0.000 0.713 790 K HN 0.383 nan 8.250 nan 0.000 0.439 791 E N 0.706 120.831 120.200 -0.125 0.000 2.058 791 E HA -0.208 4.144 4.350 0.002 0.000 0.194 791 E C 2.049 178.590 176.600 -0.099 0.000 0.997 791 E CA 1.274 57.617 56.400 -0.095 0.000 0.801 791 E CB -0.176 29.483 29.700 -0.068 0.000 0.746 791 E HN 0.274 nan 8.360 nan 0.000 0.450 792 I N 1.024 121.533 120.570 -0.101 0.000 2.286 792 I HA -0.270 3.901 4.170 0.002 0.000 0.248 792 I C 2.598 178.628 176.117 -0.144 0.000 1.115 792 I CA 1.136 62.385 61.300 -0.086 0.000 1.392 792 I CB -0.188 37.777 38.000 -0.057 0.000 1.065 792 I HN 0.148 nan 8.210 nan 0.000 0.418 793 E N 0.994 121.071 120.200 -0.206 0.000 2.077 793 E HA -0.253 4.098 4.350 0.002 0.000 0.193 793 E C 2.029 178.410 176.600 -0.365 0.000 0.989 793 E CA 1.260 57.448 56.400 -0.354 0.000 0.800 793 E CB 0.082 29.582 29.700 -0.333 0.000 0.746 793 E HN 0.466 nan 8.360 nan 0.000 0.452 794 E N 0.456 120.522 120.200 -0.223 0.000 2.085 794 E HA -0.236 4.115 4.350 0.002 0.000 0.194 794 E C 2.091 178.613 176.600 -0.129 0.000 0.994 794 E CA 1.116 57.419 56.400 -0.162 0.000 0.801 794 E CB -0.057 29.578 29.700 -0.108 0.000 0.743 794 E HN 0.119 nan 8.360 nan 0.000 0.453 795 K N 0.587 120.923 120.400 -0.106 0.000 2.026 795 K HA -0.195 4.127 4.320 0.002 0.000 0.208 795 K C 2.067 178.635 176.600 -0.053 0.000 1.048 795 K CA 0.983 57.236 56.287 -0.058 0.000 0.929 795 K CB -0.009 32.471 32.500 -0.032 0.000 0.713 795 K HN -0.002 nan 8.250 nan 0.000 0.439 796 L N 0.647 121.805 121.223 -0.108 0.000 2.093 796 L HA -0.148 4.193 4.340 0.002 0.000 0.208 796 L C 2.244 179.090 176.870 -0.039 0.000 1.085 796 L CA 1.066 55.866 54.840 -0.066 0.000 0.755 796 L CB -0.515 41.456 42.059 -0.145 0.000 0.904 796 L HN 0.006 nan 8.230 nan 0.000 0.435 797 V N -0.567 119.236 119.914 -0.184 0.000 2.295 797 V HA -0.307 3.814 4.120 0.002 0.000 0.246 797 V C 2.657 178.775 176.094 0.040 0.000 1.049 797 V CA 1.678 63.962 62.300 -0.028 0.000 1.024 797 V CB -0.565 31.201 31.823 -0.096 0.000 0.648 797 V HN 0.425 nan 8.190 nan 0.000 0.447 798 R N -0.304 120.198 120.500 0.003 0.000 2.105 798 R HA -0.143 4.198 4.340 0.002 0.000 0.239 798 R C 2.522 178.852 176.300 0.050 0.000 1.135 798 R CA 1.478 57.592 56.100 0.022 0.000 0.967 798 R CB -0.366 29.937 30.300 0.005 0.000 0.861 798 R HN 0.507 nan 8.270 nan 0.000 0.442 799 R N 0.256 120.794 120.500 0.064 0.000 2.081 799 R HA -0.066 4.276 4.340 0.002 0.000 0.235 799 R C 1.892 178.262 176.300 0.118 0.000 1.131 799 R CA 1.365 57.519 56.100 0.089 0.000 0.960 799 R CB -0.359 30.007 30.300 0.109 0.000 0.856 799 R HN 0.402 nan 8.270 nan 0.000 0.436 800 N N 0.412 119.205 118.700 0.155 0.000 2.309 800 N HA -0.099 4.642 4.740 0.002 0.000 0.182 800 N C 0.761 176.346 175.510 0.124 0.000 1.018 800 N CA 0.761 53.914 53.050 0.172 0.000 0.876 800 N CB -0.022 38.607 38.487 0.237 0.000 0.972 800 N HN 0.336 nan 8.380 nan 0.000 0.434 801 N N 0.141 118.900 118.700 0.097 0.000 2.336 801 N HA -0.029 4.712 4.740 0.002 0.000 0.189 801 N C -0.634 174.911 175.510 0.059 0.000 1.113 801 N CA -0.135 52.958 53.050 0.072 0.000 0.858 801 N CB 0.370 38.892 38.487 0.058 0.000 0.970 801 N HN 0.120 nan 8.380 nan 0.000 0.471 802 D N 1.737 122.174 120.400 0.062 0.000 2.325 802 D HA 0.050 4.691 4.640 0.002 0.000 0.251 802 D C -1.306 175.024 176.300 0.049 0.000 1.196 802 D CA -2.291 51.740 54.000 0.050 0.000 0.866 802 D CB 1.371 42.201 40.800 0.050 0.000 1.101 802 D HN 0.090 nan 8.370 nan 0.000 0.476 803 P HA -0.193 nan 4.420 nan 0.000 0.217 803 P C 1.055 178.377 177.300 0.035 0.000 1.148 803 P CA 1.102 64.224 63.100 0.037 0.000 0.828 803 P CB 0.186 31.904 31.700 0.030 0.000 0.783 804 S N -0.280 115.440 115.700 0.033 0.000 2.436 804 S HA 0.012 4.483 4.470 0.002 0.000 0.228 804 S C 2.047 176.667 174.600 0.034 0.000 1.014 804 S CA 0.518 58.736 58.200 0.030 0.000 0.950 804 S CB -1.323 61.893 63.200 0.026 0.000 0.784 804 S HN 0.125 nan 8.310 nan 0.000 0.504 805 L N 0.893 122.142 121.223 0.043 0.000 2.554 805 L HA 0.083 4.424 4.340 0.002 0.000 0.226 805 L C 2.485 179.390 176.870 0.058 0.000 1.137 805 L CA 0.190 55.060 54.840 0.050 0.000 0.863 805 L CB -0.519 41.578 42.059 0.064 0.000 0.985 805 L HN 0.228 nan 8.230 nan 0.000 0.451 806 Q N 0.636 120.470 119.800 0.057 0.000 2.152 806 Q HA -0.182 4.159 4.340 0.002 0.000 0.206 806 Q C 2.291 178.326 176.000 0.058 0.000 0.985 806 Q CA 1.778 57.619 55.803 0.063 0.000 0.863 806 Q CB -0.765 28.005 28.738 0.054 0.000 0.904 806 Q HN 0.564 nan 8.270 nan 0.000 0.422 807 G N 1.445 110.270 108.800 0.042 0.000 2.491 807 G HA2 -0.293 3.668 3.960 0.002 0.000 0.218 807 G HA3 -0.293 3.668 3.960 0.002 0.000 0.218 807 G C 1.380 176.298 174.900 0.031 0.000 1.180 807 G CA 1.064 46.184 45.100 0.032 0.000 0.774 807 G HN 0.319 nan 8.290 nan 0.000 0.562 808 N N -0.392 118.322 118.700 0.023 0.000 2.388 808 N HA 0.082 4.823 4.740 0.002 0.000 0.176 808 N C 2.154 177.690 175.510 0.044 0.000 1.062 808 N CA 0.114 53.169 53.050 0.008 0.000 0.895 808 N CB 0.071 38.541 38.487 -0.028 0.000 1.018 808 N HN 0.293 nan 8.380 nan 0.000 0.456 809 R N -0.320 120.229 120.500 0.083 0.000 2.280 809 R HA 0.236 4.577 4.340 0.002 0.000 0.195 809 R C 0.760 177.174 176.300 0.189 0.000 0.935 809 R CA 0.435 56.625 56.100 0.149 0.000 1.033 809 R CB 0.469 30.865 30.300 0.161 0.000 0.964 809 R HN 0.087 nan 8.270 nan 0.000 0.489 810 L N -1.812 119.496 121.223 0.141 0.000 2.688 810 L HA 0.307 4.648 4.340 0.002 0.000 0.216 810 L C 0.910 177.853 176.870 0.121 0.000 1.036 810 L CA 0.783 55.706 54.840 0.138 0.000 0.906 810 L CB 0.227 42.349 42.059 0.106 0.000 1.501 810 L HN 0.244 nan 8.230 nan 0.000 0.489 811 G N 0.666 109.521 108.800 0.093 0.000 2.806 811 G HA2 -0.233 3.728 3.960 0.002 0.000 0.236 811 G HA3 -0.233 3.728 3.960 0.002 0.000 0.236 811 G C -1.896 173.048 174.900 0.072 0.000 1.387 811 G CA -0.133 45.015 45.100 0.080 0.000 0.884 811 G HN 0.133 nan 8.290 nan 0.000 0.560 812 P HA -0.135 nan 4.420 nan 0.000 0.218 812 P C 1.982 179.317 177.300 0.057 0.000 1.146 812 P CA 2.708 65.839 63.100 0.053 0.000 0.813 812 P CB -0.359 31.369 31.700 0.045 0.000 0.778 813 V N -4.527 115.434 119.914 0.080 0.000 3.041 813 V HA -0.001 4.120 4.120 0.002 0.000 0.260 813 V C 0.880 177.001 176.094 0.045 0.000 1.105 813 V CA 0.654 62.996 62.300 0.071 0.000 1.125 813 V CB -1.302 30.578 31.823 0.096 0.000 0.730 813 V HN 0.018 nan 8.190 nan 0.000 0.479 814 Q N -0.837 118.996 119.800 0.055 0.000 2.493 814 Q HA -0.191 4.151 4.340 0.002 0.000 0.278 814 Q C -0.364 175.661 176.000 0.042 0.000 1.216 814 Q CA 0.978 56.811 55.803 0.049 0.000 0.875 814 Q CB -1.948 26.810 28.738 0.033 0.000 1.262 814 Q HN 0.686 nan 8.270 nan 0.000 0.468 815 L N 1.838 123.092 121.223 0.051 0.000 2.283 815 L HA 0.461 4.802 4.340 0.002 0.000 0.281 815 L C -2.159 174.790 176.870 0.133 0.000 1.033 815 L CA -1.766 53.080 54.840 0.011 0.000 0.848 815 L CB 1.038 43.015 42.059 -0.138 0.000 1.226 815 L HN -0.176 nan 8.230 nan 0.000 0.429 816 P HA -0.077 nan 4.420 nan 0.000 0.263 816 P C -0.927 176.564 177.300 0.318 0.000 1.195 816 P CA 0.052 63.277 63.100 0.208 0.000 0.762 816 P CB 0.111 31.898 31.700 0.144 0.000 0.799 817 Y N 4.192 124.625 120.300 0.222 0.000 2.733 817 Y HA 0.008 4.559 4.550 0.002 0.000 0.359 817 Y C 1.331 177.227 175.900 -0.006 0.000 1.242 817 Y CA 0.755 58.975 58.100 0.199 0.000 1.715 817 Y CB -0.400 38.175 38.460 0.191 0.000 1.365 817 Y HN 0.361 nan 8.280 nan 0.000 0.488 818 T N 1.787 116.010 114.554 -0.551 0.000 3.092 818 T HA 0.021 4.372 4.350 0.002 0.000 0.258 818 T C 1.448 175.547 174.700 -1.002 0.000 1.031 818 T CA -0.156 61.325 62.100 -1.032 0.000 0.925 818 T CB -0.030 68.229 68.868 -1.015 0.000 1.036 818 T HN 0.461 nan 8.240 nan 0.000 0.544 819 L N 0.835 121.300 121.223 -1.263 0.000 2.191 819 L HA 0.288 4.629 4.340 0.002 0.000 0.212 819 L C 1.678 178.301 176.870 -0.411 0.000 1.103 819 L CA 1.428 55.703 54.840 -0.942 0.000 0.769 819 L CB -0.561 40.901 42.059 -0.996 0.000 0.908 819 L HN 0.421 nan 8.230 nan 0.000 0.438 820 L N -1.306 119.744 121.223 -0.288 0.000 2.791 820 L HA 0.102 4.443 4.340 0.002 0.000 0.239 820 L C -0.435 176.523 176.870 0.147 0.000 1.203 820 L CA -0.529 54.326 54.840 0.025 0.000 1.002 820 L CB -0.206 41.946 42.059 0.154 0.000 1.295 820 L HN -0.012 nan 8.230 nan 0.000 0.504 821 Y N 1.569 121.788 120.300 -0.136 0.000 2.465 821 Y HA 0.108 4.659 4.550 0.002 0.000 0.331 821 Y C -1.116 174.715 175.900 -0.114 0.000 1.102 821 Y CA -3.013 55.019 58.100 -0.114 0.000 1.358 821 Y CB 0.190 38.569 38.460 -0.135 0.000 1.213 821 Y HN 0.014 nan 8.280 nan 0.000 0.525 822 P HA -0.126 nan 4.420 nan 0.000 0.215 822 P C 0.177 177.398 177.300 -0.132 0.000 1.153 822 P CA 1.157 64.237 63.100 -0.033 0.000 0.853 822 P CB 0.217 31.862 31.700 -0.092 0.000 0.788 823 S N -1.563 114.004 115.700 -0.222 0.000 2.687 823 S HA 0.605 5.076 4.470 0.002 0.000 0.283 823 S C 0.001 174.284 174.600 -0.527 0.000 1.170 823 S CA -0.492 57.429 58.200 -0.466 0.000 1.008 823 S CB 1.619 64.614 63.200 -0.342 0.000 1.026 823 S HN 0.135 nan 8.310 nan 0.000 0.541 824 S N -0.496 114.696 115.700 -0.847 0.000 2.587 824 S HA 0.445 4.916 4.470 0.002 0.000 0.269 824 S C -1.470 172.820 174.600 -0.516 0.000 1.154 824 S CA -0.732 57.116 58.200 -0.587 0.000 0.824 824 S CB 1.567 64.383 63.200 -0.640 0.000 1.118 824 S HN 0.898 nan 8.310 nan 0.000 0.462 825 E N 0.250 120.302 120.200 -0.246 0.000 2.518 825 E HA 0.415 4.766 4.350 0.002 0.000 0.248 825 E C -0.547 176.036 176.600 -0.027 0.000 1.028 825 E CA -0.777 55.553 56.400 -0.116 0.000 0.922 825 E CB 0.919 30.580 29.700 -0.066 0.000 1.299 825 E HN 0.726 nan 8.360 nan 0.000 0.457 826 E N -0.394 119.828 120.200 0.036 0.000 2.374 826 E HA 0.496 4.847 4.350 0.002 0.000 0.260 826 E C 0.267 176.927 176.600 0.099 0.000 1.101 826 E CA -0.332 56.124 56.400 0.093 0.000 0.907 826 E CB 1.004 30.750 29.700 0.076 0.000 1.014 826 E HN 0.722 nan 8.360 nan 0.000 0.427 827 G N 0.563 109.442 108.800 0.131 0.000 2.549 827 G HA2 -0.202 3.759 3.960 0.002 0.000 0.404 827 G HA3 -0.202 3.759 3.960 0.002 0.000 0.404 827 G C -0.832 174.158 174.900 0.151 0.000 1.292 827 G CA -0.436 44.727 45.100 0.105 0.000 0.935 827 G HN 0.545 nan 8.290 nan 0.000 0.512 828 L N 1.945 123.239 121.223 0.119 0.000 2.376 828 L HA 0.424 4.765 4.340 0.002 0.000 0.250 828 L C 2.246 179.259 176.870 0.239 0.000 1.335 828 L CA 1.461 56.397 54.840 0.160 0.000 1.214 828 L CB -0.389 41.728 42.059 0.096 0.000 1.395 828 L HN 0.916 nan 8.230 nan 0.000 0.424 829 T N -1.587 113.103 114.554 0.226 0.000 3.057 829 T HA 0.019 4.370 4.350 0.002 0.000 0.254 829 T C 1.006 175.802 174.700 0.160 0.000 1.094 829 T CA 0.014 62.230 62.100 0.193 0.000 1.088 829 T CB -0.377 68.568 68.868 0.127 0.000 0.934 829 T HN 0.290 nan 8.240 nan 0.000 0.497 830 F N 2.655 122.545 119.950 -0.100 0.000 3.093 830 F HA -0.268 4.260 4.527 0.002 0.000 0.287 830 F C 0.199 175.886 175.800 -0.188 0.000 0.882 830 F CA 0.734 58.601 58.000 -0.222 0.000 1.063 830 F CB -1.341 37.299 39.000 -0.600 0.000 1.097 830 F HN 0.673 nan 8.300 nan 0.000 0.604 831 R N -0.353 120.057 120.500 -0.150 0.000 2.733 831 R HA 0.713 5.054 4.340 0.002 0.000 0.272 831 R C 0.071 176.294 176.300 -0.128 0.000 1.029 831 R CA -0.902 55.060 56.100 -0.230 0.000 0.888 831 R CB 1.201 31.350 30.300 -0.252 0.000 1.251 831 R HN 1.301 nan 8.270 nan 0.000 0.464 832 G N 1.061 109.786 108.800 -0.126 0.000 3.409 832 G HA2 -0.059 3.902 3.960 0.002 0.000 0.686 832 G HA3 -0.059 3.902 3.960 0.002 0.000 0.686 832 G C -0.740 174.229 174.900 0.114 0.000 1.017 832 G CA -0.567 44.461 45.100 -0.120 0.000 0.854 832 G HN 0.529 nan 8.290 nan 0.000 0.508 833 I N 4.772 125.468 120.570 0.209 0.000 2.287 833 I HA 0.236 4.407 4.170 0.002 0.000 0.290 833 I C -1.769 174.507 176.117 0.265 0.000 1.069 833 I CA -2.148 59.291 61.300 0.232 0.000 1.237 833 I CB 1.445 39.546 38.000 0.167 0.000 1.418 833 I HN 0.200 nan 8.210 nan 0.000 0.481 834 P HA 0.085 nan 4.420 nan 0.000 0.271 834 P C 0.338 177.710 177.300 0.120 0.000 1.233 834 P CA -0.224 62.862 63.100 -0.024 0.000 0.789 834 P CB 0.652 32.379 31.700 0.044 0.000 0.951 835 N N -0.750 117.998 118.700 0.081 0.000 2.244 835 N HA -0.054 4.687 4.740 0.002 0.000 0.183 835 N C 0.671 176.332 175.510 0.252 0.000 1.016 835 N CA 1.093 54.260 53.050 0.195 0.000 0.866 835 N CB -0.102 38.377 38.487 -0.013 0.000 0.980 835 N HN 0.529 nan 8.380 nan 0.000 0.430 836 S N -0.997 114.784 115.700 0.135 0.000 2.740 836 S HA 0.539 5.011 4.470 0.002 0.000 0.300 836 S C -0.176 174.435 174.600 0.019 0.000 1.147 836 S CA -0.829 57.435 58.200 0.106 0.000 0.871 836 S CB 1.335 64.581 63.200 0.077 0.000 1.173 836 S HN 0.002 nan 8.310 nan 0.000 0.510 837 I N 2.867 123.345 120.570 -0.153 0.000 2.243 837 I HA 0.144 4.315 4.170 0.002 0.000 0.297 837 I C 1.018 176.988 176.117 -0.246 0.000 1.161 837 I CA -0.247 60.716 61.300 -0.561 0.000 1.298 837 I CB 0.322 37.884 38.000 -0.729 0.000 1.475 837 I HN 0.817 nan 8.210 nan 0.000 0.561 838 S N 4.613 120.290 115.700 -0.039 0.000 2.503 838 S HA 0.285 4.756 4.470 0.002 0.000 0.215 838 S C 0.317 174.997 174.600 0.134 0.000 1.003 838 S CA -0.106 58.139 58.200 0.075 0.000 0.910 838 S CB 0.350 63.625 63.200 0.125 0.000 0.790 838 S HN 0.462 nan 8.310 nan 0.000 0.514 839 I N 0.000 120.682 120.570 0.187 0.000 2.984 839 I HA 0.000 4.171 4.170 0.002 0.000 0.288 839 I CA 0.000 61.450 61.300 0.250 0.000 1.566 839 I CB 0.000 38.132 38.000 0.220 0.000 1.214 839 I HN 0.000 nan 8.210 nan 0.000 0.494