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 2wgh_1_A DATA FIRST_RESID 77 DATA SEQUENCE LAARIAVSNL HKETKKVFSD VMEDLYNYIN PHNGKHSPMV AKSTLDIVLA DATA SEQUENCE NKDRLNSAII YDRDFSYNYF GFKTLERSYL LKINGKVAER PQHMLMRVSV DATA SEQUENCE GIHKEDIDAA IETYNLLSER WFTHASPTLF NAGTNRPQLS SCFLLSMKDD DATA SEQUENCE SIEGIYDTLK QCALISKSAG GIGVAVSCIR ATGSYIAGTN GNSNGLVPML DATA SEQUENCE RVYNNTARYV DQGGNKRPGA FAIYLEPWHL DIFEFLDLKK NTGKEEQRAR DATA SEQUENCE DLFFALWIPD LFMKRVETNQ DWSLMCPNEC PGLDEVWGEE FEKLYASYEK DATA SEQUENCE QGRVRKVVKA QQLWYAIIES QTETGTPYML YKDSCNRKSN QQNLGTIKCS DATA SEQUENCE NLCTEIVEYT SKDEVAVCNL ASLALNMYVT SEHTYDFKKL AEVTKVVVRN DATA SEQUENCE LNKIIDINYY PVPEACLSNK RHRPIGIGVQ GLADAFILMR YPFESAEAQL DATA SEQUENCE LNKQIFETIY YGALEASCDL AKEQGPYETY EGSPVSKGIL QYDMWNVTPT DATA SEQUENCE DLWDWKVLKE KIAKYGIRNS LLIAPMPTAS TAQILGNNES IEPYTSNIYX DATA SEQUENCE XXXXXXXXQI VNPHLLKDLT ERGLXXXXXX XXXXXXXGSI QSIPEIPDDL DATA SEQUENCE KQLYKTVWEI SQKTVLKMAA ERGAFIDQSQ SLNIHIAEPN YGKLTSMHFY DATA SEQUENCE GWKQGLKTGM YYLRTR 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 77 L HA 0.000 nan 4.340 nan 0.000 0.249 77 L C 0.000 176.865 176.870 -0.009 0.000 1.165 77 L CA 0.000 54.832 54.840 -0.013 0.000 0.813 77 L CB 0.000 42.042 42.059 -0.028 0.000 0.961 78 A N 0.100 122.898 122.820 -0.037 0.000 2.125 78 A HA 0.015 4.338 4.320 0.005 0.000 0.219 78 A C 1.926 179.557 177.584 0.078 0.000 1.156 78 A CA 1.930 53.960 52.037 -0.013 0.000 0.671 78 A CB -0.763 18.179 19.000 -0.097 0.000 0.794 78 A HN 0.704 nan 8.150 nan 0.000 0.459 79 A N 0.104 122.990 122.820 0.110 0.000 1.940 79 A HA -0.216 4.107 4.320 0.005 0.000 0.219 79 A C 2.224 179.772 177.584 -0.060 0.000 1.176 79 A CA 1.769 53.860 52.037 0.090 0.000 0.631 79 A CB -0.501 18.552 19.000 0.087 0.000 0.814 79 A HN 0.591 nan 8.150 nan 0.000 0.446 80 R N -0.392 120.117 120.500 0.016 0.000 2.073 80 R HA -0.091 4.252 4.340 0.005 0.000 0.234 80 R C 1.987 178.308 176.300 0.035 0.000 1.134 80 R CA 1.800 57.959 56.100 0.099 0.000 0.952 80 R CB -0.398 29.975 30.300 0.123 0.000 0.850 80 R HN 0.537 nan 8.270 nan 0.000 0.433 81 I N 0.787 121.370 120.570 0.022 0.000 2.179 81 I HA -0.261 3.912 4.170 0.005 0.000 0.242 81 I C 2.563 178.671 176.117 -0.016 0.000 1.088 81 I CA 1.447 62.758 61.300 0.019 0.000 1.357 81 I CB -0.331 37.685 38.000 0.026 0.000 1.051 81 I HN 0.307 nan 8.210 nan 0.000 0.409 82 A N 0.069 122.877 122.820 -0.020 0.000 1.972 82 A HA -0.131 4.192 4.320 0.005 0.000 0.219 82 A C 2.402 179.902 177.584 -0.141 0.000 1.169 82 A CA 1.625 53.668 52.037 0.009 0.000 0.635 82 A CB -0.823 18.261 19.000 0.140 0.000 0.810 82 A HN 0.259 nan 8.150 nan 0.000 0.446 83 V N 0.880 120.463 119.914 -0.553 0.000 2.323 83 V HA -0.227 3.896 4.120 0.005 0.000 0.244 83 V C 2.981 178.641 176.094 -0.722 0.000 1.041 83 V CA 2.239 63.927 62.300 -1.021 0.000 1.025 83 V CB -0.966 29.898 31.823 -1.597 0.000 0.656 83 V HN 0.790 nan 8.190 nan 0.000 0.451 84 S N 1.068 116.530 115.700 -0.397 0.000 2.365 84 S HA -0.292 4.181 4.470 0.005 0.000 0.225 84 S C 1.821 176.407 174.600 -0.024 0.000 1.039 84 S CA 1.883 60.031 58.200 -0.087 0.000 1.033 84 S CB -0.782 62.474 63.200 0.094 0.000 0.887 84 S HN 0.606 nan 8.310 nan 0.000 0.447 85 N N 1.744 120.435 118.700 -0.016 0.000 2.166 85 N HA -0.001 4.742 4.740 0.005 0.000 0.186 85 N C 1.793 177.348 175.510 0.076 0.000 1.019 85 N CA 1.060 54.134 53.050 0.041 0.000 0.856 85 N CB -0.697 37.819 38.487 0.048 0.000 0.993 85 N HN 0.311 nan 8.380 nan 0.000 0.426 86 L N 1.337 122.614 121.223 0.089 0.000 2.042 86 L HA -0.185 4.158 4.340 0.005 0.000 0.210 86 L C 1.829 178.835 176.870 0.226 0.000 1.076 86 L CA 1.818 56.764 54.840 0.176 0.000 0.749 86 L CB -0.849 41.406 42.059 0.326 0.000 0.893 86 L HN 0.358 nan 8.230 nan 0.000 0.432 87 H N -0.468 118.623 119.070 0.036 0.000 2.387 87 H HA -0.157 4.402 4.556 0.005 0.000 0.299 87 H C 2.136 177.481 175.328 0.029 0.000 1.090 87 H CA 0.931 56.994 56.048 0.025 0.000 1.332 87 H CB 0.342 30.118 29.762 0.024 0.000 1.386 87 H HN 0.344 nan 8.280 nan 0.000 0.516 88 K N 0.533 121.030 120.400 0.162 0.000 2.097 88 K HA -0.117 4.206 4.320 0.005 0.000 0.206 88 K C 1.216 177.860 176.600 0.075 0.000 1.049 88 K CA 1.017 57.361 56.287 0.096 0.000 0.933 88 K CB 0.176 32.722 32.500 0.076 0.000 0.717 88 K HN 0.347 nan 8.250 nan 0.000 0.442 89 E N 0.527 120.778 120.200 0.085 0.000 2.465 89 E HA 0.019 4.372 4.350 0.005 0.000 0.195 89 E C 0.052 176.691 176.600 0.066 0.000 1.028 89 E CA 0.263 56.702 56.400 0.065 0.000 0.899 89 E CB 0.849 30.586 29.700 0.061 0.000 1.032 89 E HN 0.305 nan 8.360 nan 0.000 0.468 90 T N -1.904 112.696 114.554 0.076 0.000 2.903 90 T HA 0.448 4.801 4.350 0.005 0.000 0.299 90 T C -0.032 174.696 174.700 0.046 0.000 1.093 90 T CA -1.026 61.120 62.100 0.076 0.000 1.002 90 T CB 2.290 71.238 68.868 0.134 0.000 1.127 90 T HN -0.233 nan 8.240 nan 0.000 0.488 91 K N 1.405 121.825 120.400 0.033 0.000 2.355 91 K HA 0.148 4.471 4.320 0.005 0.000 0.270 91 K C 1.311 177.922 176.600 0.017 0.000 1.003 91 K CA -0.487 55.802 56.287 0.004 0.000 0.957 91 K CB 0.983 33.472 32.500 -0.019 0.000 0.939 91 K HN 0.854 nan 8.250 nan 0.000 0.482 92 K N 0.660 121.024 120.400 -0.061 0.000 2.262 92 K HA 0.018 4.341 4.320 0.005 0.000 0.200 92 K C 0.125 176.754 176.600 0.048 0.000 1.049 92 K CA 0.253 56.426 56.287 -0.191 0.000 0.979 92 K CB 0.388 32.636 32.500 -0.420 0.000 0.773 92 K HN 0.234 nan 8.250 nan 0.000 0.474 93 V N 3.267 123.219 119.914 0.063 0.000 2.470 93 V HA -0.002 4.121 4.120 0.005 0.000 0.276 93 V C 0.875 177.045 176.094 0.127 0.000 1.040 93 V CA -0.377 62.007 62.300 0.140 0.000 1.008 93 V CB 0.341 32.202 31.823 0.063 0.000 0.990 93 V HN 0.287 nan 8.190 nan 0.000 0.477 94 F N 4.715 124.741 119.950 0.126 0.000 2.134 94 F HA -0.180 4.350 4.527 0.005 0.000 0.299 94 F C 2.477 178.223 175.800 -0.090 0.000 1.097 94 F CA 2.095 60.083 58.000 -0.020 0.000 1.264 94 F CB -0.055 39.069 39.000 0.207 0.000 1.001 94 F HN 0.576 nan 8.300 nan 0.000 0.479 95 S N -0.865 114.715 115.700 -0.200 0.000 2.453 95 S HA -0.133 4.340 4.470 0.005 0.000 0.231 95 S C 1.622 176.077 174.600 -0.242 0.000 1.005 95 S CA 1.094 59.106 58.200 -0.314 0.000 0.949 95 S CB -0.594 62.551 63.200 -0.092 0.000 0.774 95 S HN 0.402 nan 8.310 nan 0.000 0.510 96 D N 1.683 121.983 120.400 -0.166 0.000 2.149 96 D HA 0.026 4.669 4.640 0.005 0.000 0.201 96 D C 2.028 178.232 176.300 -0.160 0.000 0.972 96 D CA 0.798 54.726 54.000 -0.121 0.000 0.835 96 D CB -0.394 40.365 40.800 -0.068 0.000 0.966 96 D HN 0.333 nan 8.370 nan 0.000 0.476 97 V N 1.009 120.769 119.914 -0.257 0.000 2.548 97 V HA -0.173 3.950 4.120 0.005 0.000 0.249 97 V C 2.315 178.261 176.094 -0.246 0.000 1.055 97 V CA 0.979 63.124 62.300 -0.260 0.000 1.065 97 V CB -0.262 31.314 31.823 -0.412 0.000 0.681 97 V HN 0.206 nan 8.190 nan 0.000 0.462 98 M N -0.608 118.775 119.600 -0.362 0.000 2.200 98 M HA -0.097 4.386 4.480 0.005 0.000 0.265 98 M C 2.121 178.350 176.300 -0.117 0.000 1.066 98 M CA 1.426 56.550 55.300 -0.293 0.000 1.127 98 M CB -1.016 31.291 32.600 -0.489 0.000 1.379 98 M HN 0.426 nan 8.290 nan 0.000 0.420 99 E N 0.489 120.627 120.200 -0.102 0.000 2.051 99 E HA -0.207 4.146 4.350 0.005 0.000 0.192 99 E C 1.576 178.208 176.600 0.052 0.000 0.991 99 E CA 1.242 57.643 56.400 0.002 0.000 0.799 99 E CB -0.037 29.652 29.700 -0.017 0.000 0.748 99 E HN 0.441 nan 8.360 nan 0.000 0.449 100 D N 0.621 121.024 120.400 0.005 0.000 2.149 100 D HA -0.159 4.484 4.640 0.005 0.000 0.198 100 D C 2.040 178.377 176.300 0.060 0.000 0.990 100 D CA 0.870 54.888 54.000 0.029 0.000 0.839 100 D CB -0.168 40.632 40.800 -0.000 0.000 0.948 100 D HN 0.179 nan 8.370 nan 0.000 0.460 101 L N -0.591 120.648 121.223 0.026 0.000 2.044 101 L HA -0.161 4.182 4.340 0.005 0.000 0.205 101 L C 2.453 179.373 176.870 0.083 0.000 1.075 101 L CA 0.838 55.690 54.840 0.021 0.000 0.747 101 L CB -0.452 41.594 42.059 -0.021 0.000 0.903 101 L HN 0.033 nan 8.230 nan 0.000 0.435 102 Y N 1.168 121.478 120.300 0.017 0.000 2.200 102 Y HA -0.183 4.370 4.550 0.005 0.000 0.290 102 Y C 2.350 178.360 175.900 0.183 0.000 1.137 102 Y CA 1.480 59.617 58.100 0.062 0.000 1.163 102 Y CB -0.187 38.300 38.460 0.045 0.000 0.988 102 Y HN 0.185 nan 8.280 nan 0.000 0.518 103 N N -0.355 118.415 118.700 0.116 0.000 2.512 103 N HA -0.169 4.574 4.740 0.005 0.000 0.183 103 N C -0.263 175.291 175.510 0.073 0.000 1.073 103 N CA 0.353 53.440 53.050 0.062 0.000 0.911 103 N CB -0.767 37.763 38.487 0.072 0.000 0.964 103 N HN 0.407 nan 8.380 nan 0.000 0.447 104 Y N 1.608 121.883 120.300 -0.042 0.000 2.895 104 Y HA -0.018 4.535 4.550 0.005 0.000 0.334 104 Y C 0.168 176.055 175.900 -0.021 0.000 1.261 104 Y CA 0.406 58.477 58.100 -0.049 0.000 1.560 104 Y CB 0.112 38.522 38.460 -0.083 0.000 1.253 104 Y HN -0.073 nan 8.280 nan 0.000 0.582 105 I N 6.854 126.975 120.570 -0.748 0.000 2.378 105 I HA 0.130 4.303 4.170 0.005 0.000 0.291 105 I C -0.357 175.142 176.117 -1.030 0.000 0.992 105 I CA -0.930 60.003 61.300 -0.613 0.000 1.154 105 I CB 1.168 38.973 38.000 -0.324 0.000 1.315 105 I HN 0.644 nan 8.210 nan 0.000 0.448 106 N N 9.085 127.412 118.700 -0.622 0.000 2.452 106 N HA 0.144 4.887 4.740 0.005 0.000 0.266 106 N C -1.785 173.555 175.510 -0.283 0.000 1.175 106 N CA -1.829 50.995 53.050 -0.376 0.000 0.945 106 N CB 1.248 39.686 38.487 -0.083 0.000 1.063 106 N HN 0.284 nan 8.380 nan 0.000 0.472 107 P HA -0.052 nan 4.420 nan 0.000 0.222 107 P C 0.595 177.822 177.300 -0.122 0.000 1.153 107 P CA 1.111 64.068 63.100 -0.238 0.000 0.798 107 P CB 0.286 31.827 31.700 -0.266 0.000 0.796 108 H N -0.234 118.817 119.070 -0.032 0.000 2.403 108 H HA 0.044 4.603 4.556 0.005 0.000 0.298 108 H C 1.723 177.035 175.328 -0.028 0.000 1.059 108 H CA 1.086 57.120 56.048 -0.022 0.000 1.363 108 H CB -1.116 28.640 29.762 -0.010 0.000 1.410 108 H HN 0.216 nan 8.280 nan 0.000 0.528 109 N N -0.512 118.228 118.700 0.066 0.000 2.207 109 N HA -0.023 4.720 4.740 0.005 0.000 0.182 109 N C 1.429 176.932 175.510 -0.012 0.000 1.020 109 N CA 1.231 54.293 53.050 0.019 0.000 0.858 109 N CB 0.223 38.709 38.487 -0.002 0.000 0.991 109 N HN 0.452 nan 8.380 nan 0.000 0.427 110 G N 0.245 109.016 108.800 -0.049 0.000 2.184 110 G HA2 -0.326 3.637 3.960 0.005 0.000 0.264 110 G HA3 -0.326 3.637 3.960 0.005 0.000 0.264 110 G C -0.049 174.812 174.900 -0.066 0.000 0.975 110 G CA 0.171 45.231 45.100 -0.066 0.000 0.642 110 G HN 0.252 nan 8.290 nan 0.000 0.536 111 K N 0.732 121.097 120.400 -0.057 0.000 2.298 111 K HA 0.200 4.523 4.320 0.005 0.000 0.280 111 K C 0.380 176.954 176.600 -0.043 0.000 1.032 111 K CA -0.622 55.644 56.287 -0.035 0.000 0.958 111 K CB 0.446 32.931 32.500 -0.026 0.000 0.978 111 K HN 0.451 nan 8.250 nan 0.000 0.472 112 H N 2.180 121.174 119.070 -0.128 0.000 3.145 112 H HA 0.013 4.572 4.556 0.005 0.000 0.263 112 H C -0.834 174.419 175.328 -0.124 0.000 1.057 112 H CA -0.142 55.810 56.048 -0.160 0.000 1.477 112 H CB 0.296 29.965 29.762 -0.154 0.000 1.529 112 H HN 0.474 nan 8.280 nan 0.000 0.508 113 S N 6.393 121.925 115.700 -0.280 0.000 2.252 113 S HA 0.269 4.742 4.470 0.005 0.000 0.187 113 S C -2.910 171.553 174.600 -0.228 0.000 1.587 113 S CA -1.697 56.364 58.200 -0.233 0.000 1.215 113 S CB 1.112 64.298 63.200 -0.023 0.000 1.085 113 S HN 0.532 nan 8.310 nan 0.000 0.466 114 P HA 0.144 nan 4.420 nan 0.000 0.264 114 P C 0.177 177.390 177.300 -0.144 0.000 1.193 114 P CA -0.041 62.825 63.100 -0.390 0.000 0.763 114 P CB 0.359 31.739 31.700 -0.533 0.000 0.810 115 M N 1.203 120.754 119.600 -0.081 0.000 2.495 115 M HA 0.108 4.591 4.480 0.005 0.000 0.237 115 M C -0.058 176.226 176.300 -0.027 0.000 1.131 115 M CA 0.446 55.693 55.300 -0.088 0.000 1.032 115 M CB 0.348 32.855 32.600 -0.156 0.000 1.513 115 M HN 0.085 nan 8.290 nan 0.000 0.488 116 V N -0.134 119.804 119.914 0.040 0.000 2.971 116 V HA 0.549 4.672 4.120 0.005 0.000 0.309 116 V C -0.494 175.691 176.094 0.151 0.000 1.130 116 V CA -1.439 60.907 62.300 0.076 0.000 0.964 116 V CB 2.029 33.897 31.823 0.076 0.000 1.029 116 V HN 0.181 nan 8.190 nan 0.000 0.427 117 A N 2.373 125.243 122.820 0.083 0.000 2.492 117 A HA 0.287 4.610 4.320 0.005 0.000 0.254 117 A C 1.292 178.894 177.584 0.030 0.000 1.091 117 A CA 0.208 52.290 52.037 0.076 0.000 0.768 117 A CB 0.028 19.043 19.000 0.025 0.000 1.028 117 A HN 0.966 nan 8.150 nan 0.000 0.498 118 K N 2.486 122.880 120.400 -0.009 0.000 2.107 118 K HA -0.252 4.071 4.320 0.005 0.000 0.211 118 K C 2.154 178.643 176.600 -0.184 0.000 1.049 118 K CA 2.744 58.825 56.287 -0.344 0.000 0.927 118 K CB -0.340 31.991 32.500 -0.282 0.000 0.714 118 K HN 0.875 nan 8.250 nan 0.000 0.452 119 S N -1.479 114.182 115.700 -0.065 0.000 2.370 119 S HA -0.159 4.314 4.470 0.005 0.000 0.226 119 S C 2.087 176.671 174.600 -0.027 0.000 1.033 119 S CA 1.735 59.916 58.200 -0.032 0.000 1.011 119 S CB -0.888 62.319 63.200 0.011 0.000 0.852 119 S HN 0.356 nan 8.310 nan 0.000 0.457 120 T N 2.497 117.041 114.554 -0.017 0.000 2.812 120 T HA 0.116 4.469 4.350 0.005 0.000 0.264 120 T C 1.697 176.382 174.700 -0.026 0.000 1.042 120 T CA 1.165 63.268 62.100 0.005 0.000 1.140 120 T CB -0.543 68.344 68.868 0.031 0.000 0.870 120 T HN 0.301 nan 8.240 nan 0.000 0.445 121 L N 1.701 122.872 121.223 -0.086 0.000 2.012 121 L HA -0.124 4.219 4.340 0.005 0.000 0.210 121 L C 1.970 178.773 176.870 -0.111 0.000 1.073 121 L CA 1.914 56.677 54.840 -0.128 0.000 0.748 121 L CB -0.712 41.212 42.059 -0.226 0.000 0.891 121 L HN 0.099 nan 8.230 nan 0.000 0.431 122 D N -0.044 120.282 120.400 -0.123 0.000 2.106 122 D HA -0.254 4.389 4.640 0.005 0.000 0.191 122 D C 2.277 178.556 176.300 -0.035 0.000 0.997 122 D CA 2.314 56.266 54.000 -0.081 0.000 0.834 122 D CB -0.296 40.459 40.800 -0.076 0.000 0.956 122 D HN 0.479 nan 8.370 nan 0.000 0.448 123 I N 0.585 121.147 120.570 -0.013 0.000 2.264 123 I HA -0.228 3.945 4.170 0.005 0.000 0.248 123 I C 2.477 178.613 176.117 0.032 0.000 1.111 123 I CA 0.516 61.826 61.300 0.017 0.000 1.382 123 I CB -0.175 37.847 38.000 0.037 0.000 1.060 123 I HN -0.102 nan 8.210 nan 0.000 0.418 124 V N 0.949 120.881 119.914 0.031 0.000 2.307 124 V HA -0.245 3.878 4.120 0.005 0.000 0.245 124 V C 2.357 178.470 176.094 0.030 0.000 1.045 124 V CA 1.636 63.972 62.300 0.061 0.000 1.024 124 V CB -0.404 31.433 31.823 0.024 0.000 0.651 124 V HN 0.369 nan 8.190 nan 0.000 0.449 125 L N 0.116 121.332 121.223 -0.011 0.000 2.141 125 L HA -0.100 4.243 4.340 0.005 0.000 0.209 125 L C 2.554 179.424 176.870 0.001 0.000 1.094 125 L CA 1.386 56.217 54.840 -0.015 0.000 0.763 125 L CB -0.661 41.375 42.059 -0.038 0.000 0.908 125 L HN 0.365 nan 8.230 nan 0.000 0.437 126 A N -0.738 122.084 122.820 0.003 0.000 2.168 126 A HA -0.072 4.251 4.320 0.005 0.000 0.215 126 A C 1.348 178.943 177.584 0.018 0.000 1.152 126 A CA 1.002 53.044 52.037 0.008 0.000 0.716 126 A CB -0.216 18.787 19.000 0.006 0.000 0.794 126 A HN 0.469 nan 8.150 nan 0.000 0.465 127 N N -0.641 118.077 118.700 0.030 0.000 2.377 127 N HA 0.030 4.773 4.740 0.005 0.000 0.259 127 N C 0.879 176.420 175.510 0.052 0.000 1.332 127 N CA 0.379 53.452 53.050 0.038 0.000 0.877 127 N CB 0.604 39.117 38.487 0.042 0.000 1.299 127 N HN 0.742 nan 8.380 nan 0.000 0.501 128 K N 0.306 120.737 120.400 0.052 0.000 2.025 128 K HA -0.069 4.254 4.320 0.005 0.000 0.207 128 K C 0.651 177.295 176.600 0.073 0.000 1.049 128 K CA 1.145 57.477 56.287 0.075 0.000 0.933 128 K CB 0.024 32.554 32.500 0.052 0.000 0.714 128 K HN -0.214 nan 8.250 nan 0.000 0.438 129 D N 1.090 121.520 120.400 0.049 0.000 2.104 129 D HA -0.169 4.474 4.640 0.005 0.000 0.194 129 D C 2.110 178.432 176.300 0.036 0.000 0.994 129 D CA 1.255 55.281 54.000 0.043 0.000 0.830 129 D CB -0.209 40.609 40.800 0.030 0.000 0.959 129 D HN 0.302 nan 8.370 nan 0.000 0.452 130 R N 0.096 120.613 120.500 0.028 0.000 2.075 130 R HA -0.022 4.321 4.340 0.005 0.000 0.232 130 R C 2.460 178.759 176.300 -0.003 0.000 1.126 130 R CA 0.672 56.780 56.100 0.013 0.000 0.963 130 R CB -0.210 30.097 30.300 0.010 0.000 0.858 130 R HN 0.174 nan 8.270 nan 0.000 0.435 131 L N 0.641 121.873 121.223 0.015 0.000 2.044 131 L HA -0.149 4.194 4.340 0.005 0.000 0.205 131 L C 2.025 178.870 176.870 -0.040 0.000 1.075 131 L CA 0.978 55.804 54.840 -0.024 0.000 0.747 131 L CB -0.517 41.582 42.059 0.066 0.000 0.903 131 L HN 0.217 nan 8.230 nan 0.000 0.435 132 N N -0.106 118.648 118.700 0.090 0.000 2.104 132 N HA -0.181 4.562 4.740 0.005 0.000 0.190 132 N C 2.010 177.558 175.510 0.064 0.000 1.024 132 N CA 1.825 54.961 53.050 0.142 0.000 0.853 132 N CB -0.339 38.247 38.487 0.165 0.000 1.008 132 N HN 0.350 nan 8.380 nan 0.000 0.424 133 S N -0.557 115.162 115.700 0.031 0.000 2.528 133 S HA 0.244 4.717 4.470 0.005 0.000 0.219 133 S C 1.690 176.277 174.600 -0.022 0.000 0.985 133 S CA 0.354 58.570 58.200 0.027 0.000 0.914 133 S CB 0.092 63.312 63.200 0.033 0.000 0.776 133 S HN 0.276 nan 8.310 nan 0.000 0.526 134 A N 1.151 123.918 122.820 -0.087 0.000 2.235 134 A HA 0.387 4.710 4.320 0.005 0.000 0.208 134 A C 0.794 178.271 177.584 -0.177 0.000 1.172 134 A CA 0.063 52.032 52.037 -0.114 0.000 0.786 134 A CB -0.373 18.537 19.000 -0.151 0.000 0.804 134 A HN 0.587 nan 8.150 nan 0.000 0.479 135 I N 1.697 122.103 120.570 -0.272 0.000 2.331 135 I HA 0.212 4.385 4.170 0.005 0.000 0.292 135 I C -0.678 175.238 176.117 -0.335 0.000 0.998 135 I CA -0.335 60.684 61.300 -0.467 0.000 1.267 135 I CB 1.380 38.941 38.000 -0.732 0.000 1.386 135 I HN 0.058 nan 8.210 nan 0.000 0.476 136 I N 7.615 128.100 120.570 -0.141 0.000 2.361 136 I HA 0.105 4.278 4.170 0.005 0.000 0.282 136 I C 0.574 176.645 176.117 -0.076 0.000 1.075 136 I CA -0.372 60.895 61.300 -0.057 0.000 1.205 136 I CB 0.006 38.031 38.000 0.041 0.000 1.406 136 I HN 0.551 nan 8.210 nan 0.000 0.481 137 Y N 2.013 122.378 120.300 0.108 0.000 2.483 137 Y HA -0.181 4.372 4.550 0.005 0.000 0.291 137 Y C 1.804 177.883 175.900 0.298 0.000 1.143 137 Y CA 0.836 59.013 58.100 0.129 0.000 1.289 137 Y CB -0.065 38.400 38.460 0.008 0.000 0.983 137 Y HN 0.460 nan 8.280 nan 0.000 0.556 138 D N -0.379 120.241 120.400 0.368 0.000 2.312 138 D HA -0.076 4.567 4.640 0.005 0.000 0.211 138 D C 1.856 178.356 176.300 0.333 0.000 0.964 138 D CA 0.678 54.907 54.000 0.383 0.000 0.877 138 D CB -0.096 40.797 40.800 0.155 0.000 0.924 138 D HN 0.295 nan 8.370 nan 0.000 0.515 139 R N 0.417 121.033 120.500 0.193 0.000 2.152 139 R HA -0.092 4.251 4.340 0.005 0.000 0.232 139 R C 1.185 177.551 176.300 0.111 0.000 1.117 139 R CA 0.827 56.975 56.100 0.080 0.000 0.981 139 R CB -0.040 30.260 30.300 0.001 0.000 0.870 139 R HN 0.162 nan 8.270 nan 0.000 0.451 140 D N 0.362 120.906 120.400 0.241 0.000 2.182 140 D HA -0.162 4.481 4.640 0.005 0.000 0.201 140 D C 1.269 177.534 176.300 -0.057 0.000 0.986 140 D CA 1.221 55.343 54.000 0.205 0.000 0.847 140 D CB -0.160 40.769 40.800 0.215 0.000 0.942 140 D HN 0.202 nan 8.370 nan 0.000 0.467 141 F N 0.716 120.647 119.950 -0.032 0.000 2.748 141 F HA -0.048 4.482 4.527 0.005 0.000 0.299 141 F C 2.427 178.151 175.800 -0.127 0.000 1.154 141 F CA 0.390 58.317 58.000 -0.121 0.000 1.446 141 F CB -0.254 38.683 39.000 -0.105 0.000 1.112 141 F HN -0.082 nan 8.300 nan 0.000 0.584 142 S N -1.076 114.598 115.700 -0.045 0.000 2.453 142 S HA -0.126 4.348 4.470 0.005 0.000 0.231 142 S C 0.533 174.945 174.600 -0.313 0.000 1.005 142 S CA 0.127 58.190 58.200 -0.228 0.000 0.949 142 S CB -0.879 62.088 63.200 -0.388 0.000 0.774 142 S HN 0.283 nan 8.310 nan 0.000 0.510 143 Y N 3.794 124.079 120.300 -0.025 0.000 2.336 143 Y HA 0.358 4.911 4.550 0.005 0.000 0.331 143 Y C 1.062 176.964 175.900 0.004 0.000 1.211 143 Y CA -0.665 57.437 58.100 0.003 0.000 1.346 143 Y CB 0.344 38.850 38.460 0.077 0.000 1.271 143 Y HN 0.388 nan 8.280 nan 0.000 0.538 144 N N 0.399 119.208 118.700 0.182 0.000 2.366 144 N HA -0.019 4.724 4.740 0.005 0.000 0.277 144 N C 0.590 176.212 175.510 0.187 0.000 1.275 144 N CA -0.437 52.706 53.050 0.156 0.000 0.964 144 N CB -0.072 38.508 38.487 0.155 0.000 1.167 144 N HN 0.683 nan 8.380 nan 0.000 0.568 145 Y N -0.588 119.730 120.300 0.030 0.000 2.114 145 Y HA -0.082 4.471 4.550 0.005 0.000 0.284 145 Y C 1.642 177.515 175.900 -0.044 0.000 1.143 145 Y CA 1.603 59.659 58.100 -0.072 0.000 1.135 145 Y CB -0.412 37.874 38.460 -0.290 0.000 0.980 145 Y HN 0.468 nan 8.280 nan 0.000 0.499 146 F N -0.126 119.876 119.950 0.088 0.000 2.293 146 F HA 0.018 4.548 4.527 0.005 0.000 0.300 146 F C 2.568 178.344 175.800 -0.041 0.000 1.086 146 F CA 1.237 59.229 58.000 -0.014 0.000 1.375 146 F CB -1.069 37.989 39.000 0.095 0.000 1.045 146 F HN 0.131 nan 8.300 nan 0.000 0.516 147 G N -0.656 108.261 108.800 0.195 0.000 2.402 147 G HA2 -0.292 3.671 3.960 0.005 0.000 0.216 147 G HA3 -0.292 3.671 3.960 0.005 0.000 0.216 147 G C 1.608 176.522 174.900 0.022 0.000 1.162 147 G CA 0.538 45.716 45.100 0.129 0.000 0.777 147 G HN 0.314 nan 8.290 nan 0.000 0.539 148 F N 1.529 121.408 119.950 -0.118 0.000 2.146 148 F HA 0.131 4.661 4.527 0.005 0.000 0.298 148 F C 2.559 178.228 175.800 -0.219 0.000 1.096 148 F CA 1.162 59.037 58.000 -0.208 0.000 1.275 148 F CB 0.081 38.978 39.000 -0.172 0.000 1.008 148 F HN -0.073 nan 8.300 nan 0.000 0.480 149 K N -0.245 119.989 120.400 -0.277 0.000 2.097 149 K HA -0.107 4.216 4.320 0.005 0.000 0.206 149 K C 1.957 178.446 176.600 -0.185 0.000 1.049 149 K CA 1.741 57.844 56.287 -0.305 0.000 0.933 149 K CB -0.893 31.404 32.500 -0.337 0.000 0.717 149 K HN 0.292 nan 8.250 nan 0.000 0.442 150 T N 2.367 116.862 114.554 -0.098 0.000 2.701 150 T HA -0.068 4.285 4.350 0.005 0.000 0.263 150 T C 2.110 176.847 174.700 0.063 0.000 1.040 150 T CA 0.898 63.008 62.100 0.016 0.000 1.147 150 T CB -0.281 68.611 68.868 0.041 0.000 0.865 150 T HN 0.090 nan 8.240 nan 0.000 0.426 151 L N 0.767 121.929 121.223 -0.102 0.000 2.043 151 L HA -0.173 4.170 4.340 0.005 0.000 0.212 151 L C 2.820 179.637 176.870 -0.089 0.000 1.075 151 L CA 1.555 56.348 54.840 -0.079 0.000 0.752 151 L CB -0.561 41.269 42.059 -0.381 0.000 0.891 151 L HN 0.350 nan 8.230 nan 0.000 0.432 152 E N -0.635 119.378 120.200 -0.311 0.000 2.150 152 E HA -0.230 4.123 4.350 0.005 0.000 0.193 152 E C 2.319 178.832 176.600 -0.146 0.000 0.985 152 E CA 0.725 56.940 56.400 -0.308 0.000 0.814 152 E CB 0.020 29.463 29.700 -0.429 0.000 0.752 152 E HN 0.325 nan 8.360 nan 0.000 0.466 153 R N -0.324 120.122 120.500 -0.090 0.000 2.062 153 R HA -0.015 4.328 4.340 0.005 0.000 0.229 153 R C 1.936 178.194 176.300 -0.070 0.000 1.128 153 R CA 1.408 57.472 56.100 -0.060 0.000 0.960 153 R CB 0.107 30.392 30.300 -0.024 0.000 0.855 153 R HN -0.053 nan 8.270 nan 0.000 0.432 154 S N -1.885 113.802 115.700 -0.022 0.000 2.631 154 S HA 0.160 4.633 4.470 0.005 0.000 0.246 154 S C 0.495 174.975 174.600 -0.199 0.000 1.068 154 S CA -0.442 57.655 58.200 -0.172 0.000 0.995 154 S CB 0.367 63.452 63.200 -0.191 0.000 0.944 154 S HN 0.308 nan 8.310 nan 0.000 0.529 155 Y N 1.163 121.536 120.300 0.123 0.000 2.481 155 Y HA 0.489 5.042 4.550 0.005 0.000 0.258 155 Y C 0.223 176.181 175.900 0.097 0.000 1.103 155 Y CA 0.033 58.266 58.100 0.221 0.000 1.287 155 Y CB 0.424 38.943 38.460 0.098 0.000 1.108 155 Y HN 0.062 nan 8.280 nan 0.000 0.529 156 L N 1.338 122.631 121.223 0.117 0.000 2.287 156 L HA 0.366 4.709 4.340 0.005 0.000 0.287 156 L C -0.536 176.337 176.870 0.006 0.000 1.022 156 L CA -0.582 54.297 54.840 0.065 0.000 0.814 156 L CB 1.456 43.525 42.059 0.017 0.000 1.217 156 L HN -0.055 nan 8.230 nan 0.000 0.420 157 L N 3.624 124.854 121.223 0.013 0.000 2.483 157 L HA 0.161 4.504 4.340 0.005 0.000 0.276 157 L C 0.243 177.070 176.870 -0.072 0.000 1.213 157 L CA 0.262 55.072 54.840 -0.049 0.000 0.843 157 L CB 0.252 42.283 42.059 -0.047 0.000 1.107 157 L HN 0.559 nan 8.230 nan 0.000 0.487 158 K N 3.610 123.935 120.400 -0.126 0.000 2.292 158 K HA 0.533 4.856 4.320 0.005 0.000 0.257 158 K C -0.928 175.549 176.600 -0.205 0.000 0.940 158 K CA -0.500 55.709 56.287 -0.129 0.000 0.811 158 K CB 1.972 34.398 32.500 -0.124 0.000 1.120 158 K HN 0.424 nan 8.250 nan 0.000 0.428 159 I N 4.050 124.525 120.570 -0.158 0.000 2.306 159 I HA 0.077 4.250 4.170 0.005 0.000 0.288 159 I C -0.312 175.764 176.117 -0.068 0.000 1.036 159 I CA -0.344 60.846 61.300 -0.184 0.000 1.221 159 I CB 0.586 38.552 38.000 -0.057 0.000 1.385 159 I HN 0.691 nan 8.210 nan 0.000 0.472 160 N N 5.567 124.227 118.700 -0.065 0.000 2.727 160 N HA -0.181 4.562 4.740 0.005 0.000 0.251 160 N C 0.922 176.420 175.510 -0.019 0.000 1.040 160 N CA 1.116 54.170 53.050 0.008 0.000 0.712 160 N CB -0.985 37.542 38.487 0.067 0.000 0.912 160 N HN 1.116 nan 8.380 nan 0.000 0.545 161 G N -0.896 107.875 108.800 -0.048 0.000 2.189 161 G HA2 -0.388 3.575 3.960 0.005 0.000 0.267 161 G HA3 -0.388 3.575 3.960 0.005 0.000 0.267 161 G C 0.072 174.950 174.900 -0.036 0.000 0.975 161 G CA 1.234 46.310 45.100 -0.040 0.000 0.644 161 G HN 0.763 nan 8.290 nan 0.000 0.537 162 K N 0.628 121.009 120.400 -0.033 0.000 2.274 162 K HA 0.611 4.934 4.320 0.005 0.000 0.262 162 K C 0.471 177.055 176.600 -0.026 0.000 0.961 162 K CA -0.830 55.445 56.287 -0.020 0.000 0.833 162 K CB 1.719 34.217 32.500 -0.003 0.000 1.102 162 K HN 0.103 nan 8.250 nan 0.000 0.436 163 V N 4.441 124.344 119.914 -0.019 0.000 2.509 163 V HA -0.022 4.101 4.120 0.005 0.000 0.297 163 V C 1.145 177.248 176.094 0.014 0.000 1.014 163 V CA 0.835 63.129 62.300 -0.011 0.000 1.127 163 V CB 0.392 32.211 31.823 -0.007 0.000 0.925 163 V HN 1.039 nan 8.190 nan 0.000 0.480 164 A N 4.088 126.916 122.820 0.012 0.000 1.973 164 A HA 0.179 4.502 4.320 0.005 0.000 0.210 164 A C 0.947 178.585 177.584 0.091 0.000 1.200 164 A CA 0.127 52.180 52.037 0.027 0.000 0.707 164 A CB 0.033 19.025 19.000 -0.014 0.000 0.862 164 A HN 0.767 nan 8.150 nan 0.000 0.461 165 E N 0.721 120.996 120.200 0.126 0.000 2.249 165 E HA 0.347 4.700 4.350 0.005 0.000 0.280 165 E C -0.462 176.316 176.600 0.296 0.000 1.016 165 E CA -0.509 56.054 56.400 0.271 0.000 0.830 165 E CB 0.988 30.817 29.700 0.214 0.000 1.081 165 E HN 0.351 nan 8.360 nan 0.000 0.395 166 R N 3.154 123.924 120.500 0.450 0.000 2.577 166 R HA 0.124 4.467 4.340 0.005 0.000 0.269 166 R C -1.705 174.697 176.300 0.171 0.000 1.084 166 R CA -1.649 54.589 56.100 0.230 0.000 1.163 166 R CB -0.002 30.337 30.300 0.065 0.000 1.100 166 R HN 0.298 nan 8.270 nan 0.000 0.547 167 P HA -0.205 nan 4.420 nan 0.000 0.216 167 P C 0.909 178.289 177.300 0.134 0.000 1.153 167 P CA 1.315 64.477 63.100 0.102 0.000 0.858 167 P CB 0.241 31.997 31.700 0.093 0.000 0.789 168 Q N -1.455 118.407 119.800 0.103 0.000 2.170 168 Q HA -0.178 4.165 4.340 0.005 0.000 0.203 168 Q C 2.129 178.153 176.000 0.041 0.000 0.976 168 Q CA 1.660 57.502 55.803 0.064 0.000 0.858 168 Q CB -1.239 27.413 28.738 -0.143 0.000 0.907 168 Q HN 0.584 nan 8.270 nan 0.000 0.433 169 H N -0.229 118.974 119.070 0.220 0.000 2.357 169 H HA -0.002 4.557 4.556 0.005 0.000 0.301 169 H C 2.061 177.569 175.328 0.300 0.000 1.082 169 H CA 1.115 57.365 56.048 0.337 0.000 1.342 169 H CB 0.001 30.045 29.762 0.469 0.000 1.389 169 H HN 0.093 nan 8.280 nan 0.000 0.511 170 M N 0.983 120.791 119.600 0.345 0.000 2.149 170 M HA -0.154 4.329 4.480 0.005 0.000 0.261 170 M C 1.666 178.089 176.300 0.206 0.000 1.064 170 M CA 1.639 57.090 55.300 0.253 0.000 1.102 170 M CB -0.293 32.421 32.600 0.190 0.000 1.369 170 M HN 0.334 nan 8.290 nan 0.000 0.408 171 L N -0.758 120.576 121.223 0.185 0.000 2.179 171 L HA -0.154 4.189 4.340 0.005 0.000 0.208 171 L C 2.475 179.465 176.870 0.201 0.000 1.096 171 L CA 0.676 55.623 54.840 0.178 0.000 0.779 171 L CB -0.597 41.565 42.059 0.172 0.000 0.922 171 L HN 0.318 nan 8.230 nan 0.000 0.443 172 M N -0.158 119.490 119.600 0.079 0.000 2.388 172 M HA -0.075 4.408 4.480 0.005 0.000 0.265 172 M C 2.268 178.603 176.300 0.059 0.000 1.088 172 M CA 1.356 56.556 55.300 -0.167 0.000 1.134 172 M CB -0.257 31.763 32.600 -0.966 0.000 1.384 172 M HN 0.013 nan 8.290 nan 0.000 0.447 173 R N -0.629 120.037 120.500 0.277 0.000 2.073 173 R HA -0.102 4.241 4.340 0.005 0.000 0.234 173 R C 1.660 178.076 176.300 0.193 0.000 1.134 173 R CA 1.963 58.264 56.100 0.334 0.000 0.952 173 R CB -0.610 29.872 30.300 0.303 0.000 0.850 173 R HN 0.295 nan 8.270 nan 0.000 0.433 174 V N 0.740 120.747 119.914 0.155 0.000 2.392 174 V HA -0.239 3.884 4.120 0.005 0.000 0.249 174 V C 2.353 178.500 176.094 0.088 0.000 1.059 174 V CA 2.130 64.485 62.300 0.092 0.000 1.051 174 V CB -0.412 31.455 31.823 0.073 0.000 0.658 174 V HN 0.396 nan 8.190 nan 0.000 0.455 175 S N -0.287 115.501 115.700 0.147 0.000 2.355 175 S HA -0.140 4.333 4.470 0.005 0.000 0.222 175 S C 1.970 176.703 174.600 0.221 0.000 1.031 175 S CA 1.523 59.854 58.200 0.217 0.000 0.993 175 S CB -0.126 63.213 63.200 0.232 0.000 0.859 175 S HN 0.397 nan 8.310 nan 0.000 0.453 176 V N 1.538 121.556 119.914 0.172 0.000 2.515 176 V HA -0.069 4.054 4.120 0.005 0.000 0.250 176 V C 2.545 178.709 176.094 0.116 0.000 1.058 176 V CA 1.625 64.023 62.300 0.162 0.000 1.064 176 V CB -1.402 30.523 31.823 0.170 0.000 0.675 176 V HN 0.574 nan 8.190 nan 0.000 0.461 177 G N 0.078 108.933 108.800 0.092 0.000 2.442 177 G HA2 -0.208 3.755 3.960 0.005 0.000 0.219 177 G HA3 -0.208 3.755 3.960 0.005 0.000 0.219 177 G C 1.539 176.432 174.900 -0.012 0.000 1.141 177 G CA 0.991 46.118 45.100 0.045 0.000 0.763 177 G HN 0.521 nan 8.290 nan 0.000 0.554 178 I N -0.894 119.633 120.570 -0.072 0.000 2.585 178 I HA 0.040 4.213 4.170 0.005 0.000 0.254 178 I C 2.174 178.118 176.117 -0.287 0.000 1.129 178 I CA 0.623 61.782 61.300 -0.235 0.000 1.455 178 I CB -0.018 37.741 38.000 -0.402 0.000 1.111 178 I HN 0.124 nan 8.210 nan 0.000 0.433 179 H N 0.695 119.798 119.070 0.055 0.000 2.654 179 H HA 0.196 4.755 4.556 0.005 0.000 0.264 179 H C 0.964 176.320 175.328 0.047 0.000 0.954 179 H CA 0.128 56.209 56.048 0.054 0.000 1.199 179 H CB 0.519 30.318 29.762 0.062 0.000 1.446 179 H HN 0.158 nan 8.280 nan 0.000 0.516 180 K N 0.168 120.646 120.400 0.130 0.000 1.795 180 K HA -0.321 4.002 4.320 0.005 0.000 0.138 180 K C 1.316 177.973 176.600 0.094 0.000 1.027 180 K CA 2.131 58.474 56.287 0.094 0.000 0.303 180 K CB -0.817 31.724 32.500 0.069 0.000 0.699 180 K HN 0.162 nan 8.250 nan 0.000 0.789 181 E N 1.261 121.506 120.200 0.074 0.000 2.274 181 E HA -0.045 4.308 4.350 0.005 0.000 0.194 181 E C 0.175 176.809 176.600 0.056 0.000 0.996 181 E CA 0.909 57.343 56.400 0.057 0.000 0.840 181 E CB -0.032 29.694 29.700 0.043 0.000 0.772 181 E HN 0.287 nan 8.360 nan 0.000 0.491 182 D N 0.682 121.125 120.400 0.072 0.000 2.416 182 D HA -0.012 4.631 4.640 0.005 0.000 0.240 182 D C 0.686 177.006 176.300 0.033 0.000 1.250 182 D CA -0.012 54.017 54.000 0.049 0.000 0.967 182 D CB 0.204 41.038 40.800 0.058 0.000 1.059 182 D HN -0.055 nan 8.370 nan 0.000 0.512 183 I N 2.443 123.026 120.570 0.021 0.000 2.353 183 I HA -0.181 3.992 4.170 0.005 0.000 0.248 183 I C 1.776 177.882 176.117 -0.018 0.000 1.119 183 I CA 0.669 61.977 61.300 0.013 0.000 1.417 183 I CB -0.516 37.494 38.000 0.016 0.000 1.078 183 I HN 0.386 nan 8.210 nan 0.000 0.421 184 D N 1.426 121.810 120.400 -0.026 0.000 2.116 184 D HA -0.199 4.444 4.640 0.005 0.000 0.193 184 D C 2.180 178.427 176.300 -0.089 0.000 0.998 184 D CA 1.918 55.893 54.000 -0.043 0.000 0.836 184 D CB 0.149 40.928 40.800 -0.036 0.000 0.951 184 D HN 0.328 nan 8.370 nan 0.000 0.449 185 A N 1.065 123.795 122.820 -0.151 0.000 1.930 185 A HA 0.010 4.333 4.320 0.005 0.000 0.217 185 A C 2.323 179.615 177.584 -0.487 0.000 1.175 185 A CA 1.921 53.744 52.037 -0.356 0.000 0.627 185 A CB -0.454 18.279 19.000 -0.445 0.000 0.815 185 A HN 0.254 nan 8.150 nan 0.000 0.443 186 A N -0.112 122.566 122.820 -0.237 0.000 1.898 186 A HA -0.019 4.304 4.320 0.005 0.000 0.216 186 A C 2.096 179.704 177.584 0.039 0.000 1.181 186 A CA 1.419 53.439 52.037 -0.027 0.000 0.620 186 A CB -0.501 18.550 19.000 0.085 0.000 0.819 186 A HN 0.479 nan 8.150 nan 0.000 0.442 187 I N -0.690 119.887 120.570 0.011 0.000 2.353 187 I HA -0.212 3.961 4.170 0.005 0.000 0.248 187 I C 2.535 178.705 176.117 0.089 0.000 1.119 187 I CA 1.536 62.877 61.300 0.068 0.000 1.417 187 I CB -0.287 37.728 38.000 0.025 0.000 1.078 187 I HN 0.554 nan 8.210 nan 0.000 0.421 188 E N 0.717 120.924 120.200 0.011 0.000 2.085 188 E HA -0.246 4.107 4.350 0.005 0.000 0.194 188 E C 2.014 178.652 176.600 0.064 0.000 0.994 188 E CA 2.004 58.407 56.400 0.004 0.000 0.801 188 E CB 0.055 29.727 29.700 -0.046 0.000 0.743 188 E HN 0.346 nan 8.360 nan 0.000 0.453 189 T N -0.153 114.462 114.554 0.101 0.000 2.812 189 T HA -0.160 4.193 4.350 0.005 0.000 0.264 189 T C 1.386 176.197 174.700 0.185 0.000 1.042 189 T CA 1.224 63.471 62.100 0.244 0.000 1.140 189 T CB -0.481 68.623 68.868 0.392 0.000 0.870 189 T HN 0.368 nan 8.240 nan 0.000 0.445 190 Y N 2.973 123.310 120.300 0.060 0.000 2.128 190 Y HA -0.203 4.350 4.550 0.005 0.000 0.284 190 Y C 2.188 178.090 175.900 0.003 0.000 1.154 190 Y CA 1.427 59.530 58.100 0.005 0.000 1.149 190 Y CB -0.588 37.838 38.460 -0.056 0.000 0.976 190 Y HN 0.122 nan 8.280 nan 0.000 0.505 191 N N 0.500 119.086 118.700 -0.191 0.000 2.142 191 N HA -0.168 4.575 4.740 0.005 0.000 0.186 191 N C 2.010 177.449 175.510 -0.118 0.000 1.023 191 N CA 1.629 54.526 53.050 -0.254 0.000 0.852 191 N CB -0.544 37.920 38.487 -0.037 0.000 0.998 191 N HN 0.422 nan 8.380 nan 0.000 0.424 192 L N 0.918 122.144 121.223 0.005 0.000 2.017 192 L HA -0.132 4.211 4.340 0.005 0.000 0.208 192 L C 2.340 179.264 176.870 0.089 0.000 1.073 192 L CA 0.905 55.848 54.840 0.171 0.000 0.745 192 L CB -0.401 41.847 42.059 0.315 0.000 0.894 192 L HN 0.124 nan 8.230 nan 0.000 0.432 193 L N -0.809 120.310 121.223 -0.173 0.000 2.017 193 L HA -0.208 4.135 4.340 0.005 0.000 0.208 193 L C 2.807 179.522 176.870 -0.257 0.000 1.073 193 L CA 1.704 56.338 54.840 -0.343 0.000 0.745 193 L CB -0.589 41.290 42.059 -0.301 0.000 0.894 193 L HN 0.396 nan 8.230 nan 0.000 0.432 194 S N -1.049 114.430 115.700 -0.369 0.000 2.387 194 S HA -0.154 4.319 4.470 0.005 0.000 0.226 194 S C 1.695 176.145 174.600 -0.251 0.000 1.026 194 S CA 0.707 58.689 58.200 -0.362 0.000 0.972 194 S CB -0.312 62.441 63.200 -0.745 0.000 0.814 194 S HN 0.414 nan 8.310 nan 0.000 0.477 195 E N 0.908 121.000 120.200 -0.180 0.000 2.347 195 E HA 0.102 4.455 4.350 0.005 0.000 0.196 195 E C -0.039 176.360 176.600 -0.335 0.000 1.008 195 E CA 0.060 56.361 56.400 -0.164 0.000 0.852 195 E CB -0.019 29.726 29.700 0.074 0.000 0.783 195 E HN 0.397 nan 8.360 nan 0.000 0.505 196 R N -2.838 117.515 120.500 -0.245 0.000 3.493 196 R HA -0.158 4.185 4.340 0.005 0.000 0.297 196 R C -0.098 176.035 176.300 -0.279 0.000 1.145 196 R CA 0.365 56.307 56.100 -0.263 0.000 0.792 196 R CB -2.190 27.932 30.300 -0.295 0.000 1.368 196 R HN 0.270 nan 8.270 nan 0.000 0.454 197 W N 0.422 121.673 121.300 -0.082 0.000 2.518 197 W HA 0.123 4.787 4.660 0.005 0.000 0.273 197 W C 0.981 177.653 176.519 0.254 0.000 1.247 197 W CA 1.155 58.507 57.345 0.012 0.000 1.288 197 W CB 0.225 29.718 29.460 0.054 0.000 1.107 197 W HN 0.287 nan 8.180 nan 0.000 0.586 198 F N -2.832 117.232 119.950 0.188 0.000 2.807 198 F HA 0.667 5.198 4.527 0.005 0.000 0.316 198 F C -0.933 174.897 175.800 0.050 0.000 1.162 198 F CA -1.352 56.716 58.000 0.114 0.000 0.910 198 F CB 1.147 40.211 39.000 0.105 0.000 1.314 198 F HN -0.419 nan 8.300 nan 0.000 0.454 199 T N 0.035 114.560 114.554 -0.049 0.000 2.883 199 T HA 0.418 4.771 4.350 0.005 0.000 0.301 199 T C -1.761 172.944 174.700 0.010 0.000 1.158 199 T CA -0.407 61.555 62.100 -0.230 0.000 1.007 199 T CB 1.192 70.004 68.868 -0.094 0.000 1.186 199 T HN 0.820 nan 8.240 nan 0.000 0.499 200 H N 0.645 119.731 119.070 0.026 0.000 2.495 200 H HA 0.634 5.193 4.556 0.005 0.000 0.350 200 H C 0.595 175.945 175.328 0.036 0.000 1.202 200 H CA -0.164 55.953 56.048 0.115 0.000 1.322 200 H CB 1.435 31.259 29.762 0.104 0.000 1.544 200 H HN 0.861 nan 8.280 nan 0.000 0.565 201 A N 1.180 124.114 122.820 0.189 0.000 2.498 201 A HA 0.036 4.359 4.320 0.005 0.000 0.239 201 A C 1.449 179.027 177.584 -0.009 0.000 1.068 201 A CA 0.219 52.301 52.037 0.075 0.000 0.766 201 A CB 0.130 19.174 19.000 0.074 0.000 1.003 201 A HN 0.839 nan 8.150 nan 0.000 0.497 202 S N 2.731 118.374 115.700 -0.095 0.000 2.393 202 S HA -0.182 4.291 4.470 0.005 0.000 0.235 202 S C -0.585 173.698 174.600 -0.529 0.000 1.061 202 S CA 2.337 60.292 58.200 -0.408 0.000 1.129 202 S CB -1.439 61.537 63.200 -0.373 0.000 1.011 202 S HN 0.784 nan 8.310 nan 0.000 0.436 203 P HA -0.048 nan 4.420 nan 0.000 0.218 203 P C 1.294 178.611 177.300 0.029 0.000 1.148 203 P CA 1.324 64.445 63.100 0.036 0.000 0.822 203 P CB -0.386 31.374 31.700 0.100 0.000 0.784 204 T N -0.402 114.147 114.554 -0.008 0.000 2.857 204 T HA -0.008 4.345 4.350 0.005 0.000 0.266 204 T C 1.755 176.451 174.700 -0.007 0.000 1.048 204 T CA 0.855 62.946 62.100 -0.015 0.000 1.139 204 T CB -0.770 68.073 68.868 -0.042 0.000 0.874 204 T HN 0.077 nan 8.240 nan 0.000 0.455 205 L N -0.296 120.909 121.223 -0.030 0.000 2.093 205 L HA 0.026 4.369 4.340 0.005 0.000 0.208 205 L C 2.256 179.211 176.870 0.141 0.000 1.085 205 L CA 1.390 56.251 54.840 0.035 0.000 0.755 205 L CB -0.547 41.541 42.059 0.048 0.000 0.904 205 L HN 0.305 nan 8.230 nan 0.000 0.435 206 F N -0.157 119.831 119.950 0.063 0.000 2.128 206 F HA -0.128 4.402 4.527 0.005 0.000 0.295 206 F C 2.121 177.914 175.800 -0.012 0.000 1.100 206 F CA 0.573 58.562 58.000 -0.017 0.000 1.260 206 F CB -0.002 38.954 39.000 -0.073 0.000 1.009 206 F HN 0.167 nan 8.300 nan 0.000 0.476 207 N N -0.082 118.731 118.700 0.189 0.000 2.220 207 N HA 0.169 4.912 4.740 0.005 0.000 0.195 207 N C 0.127 175.666 175.510 0.048 0.000 1.123 207 N CA 0.161 53.268 53.050 0.094 0.000 0.874 207 N CB 0.273 38.808 38.487 0.080 0.000 0.995 207 N HN -0.047 nan 8.380 nan 0.000 0.498 208 A N 0.097 122.944 122.820 0.045 0.000 2.488 208 A HA 0.493 4.816 4.320 0.005 0.000 0.249 208 A C 1.364 178.974 177.584 0.043 0.000 1.083 208 A CA 0.639 52.689 52.037 0.021 0.000 0.768 208 A CB -0.267 18.726 19.000 -0.013 0.000 1.017 208 A HN 0.385 nan 8.150 nan 0.000 0.496 209 G N 1.712 110.533 108.800 0.035 0.000 2.162 209 G HA2 -0.178 3.785 3.960 0.005 0.000 0.260 209 G HA3 -0.178 3.785 3.960 0.005 0.000 0.260 209 G C 0.522 175.442 174.900 0.033 0.000 0.976 209 G CA 1.313 46.441 45.100 0.047 0.000 0.655 209 G HN 2.065 nan 8.290 nan 0.000 0.533 210 T N -2.279 112.281 114.554 0.011 0.000 2.922 210 T HA 0.611 4.964 4.350 0.005 0.000 0.281 210 T C 0.145 174.813 174.700 -0.053 0.000 1.005 210 T CA -0.241 61.852 62.100 -0.011 0.000 0.982 210 T CB 1.381 70.237 68.868 -0.020 0.000 1.158 210 T HN 0.222 nan 8.240 nan 0.000 0.566 211 N N 0.456 119.108 118.700 -0.079 0.000 2.520 211 N HA 0.363 5.106 4.740 0.005 0.000 0.273 211 N C -0.460 174.880 175.510 -0.283 0.000 1.155 211 N CA -0.629 52.337 53.050 -0.140 0.000 0.967 211 N CB 0.195 38.621 38.487 -0.101 0.000 1.092 211 N HN 0.568 nan 8.380 nan 0.000 0.457 212 R N -0.513 119.661 120.500 -0.543 0.000 3.038 212 R HA -0.140 4.203 4.340 0.005 0.000 0.242 212 R C -2.389 173.518 176.300 -0.655 0.000 0.866 212 R CA -0.043 55.354 56.100 -1.173 0.000 0.601 212 R CB -1.730 28.116 30.300 -0.756 0.000 1.107 212 R HN 0.505 nan 8.270 nan 0.000 0.492 213 P HA 0.015 nan 4.420 nan 0.000 0.281 213 P C -0.756 176.543 177.300 -0.001 0.000 1.252 213 P CA -0.112 62.924 63.100 -0.107 0.000 0.778 213 P CB 1.357 33.034 31.700 -0.038 0.000 0.895 214 Q N 3.254 123.062 119.800 0.013 0.000 2.400 214 Q HA 0.269 4.612 4.340 0.005 0.000 0.255 214 Q C -0.024 176.007 176.000 0.051 0.000 1.008 214 Q CA -0.346 55.483 55.803 0.043 0.000 0.841 214 Q CB 0.842 29.624 28.738 0.074 0.000 1.220 214 Q HN 0.501 nan 8.270 nan 0.000 0.474 215 L N 1.152 122.384 121.223 0.014 0.000 2.693 215 L HA 0.263 4.606 4.340 0.005 0.000 0.235 215 L C 0.432 177.312 176.870 0.018 0.000 1.127 215 L CA -0.028 54.820 54.840 0.014 0.000 0.914 215 L CB 0.637 42.683 42.059 -0.021 0.000 1.193 215 L HN 0.265 nan 8.230 nan 0.000 0.502 216 S N -1.089 114.624 115.700 0.020 0.000 2.617 216 S HA 0.325 4.798 4.470 0.005 0.000 0.283 216 S C 0.941 175.561 174.600 0.033 0.000 1.189 216 S CA -0.550 57.633 58.200 -0.030 0.000 1.036 216 S CB 2.166 65.264 63.200 -0.169 0.000 1.014 216 S HN 0.034 nan 8.310 nan 0.000 0.522 217 S N 0.271 115.956 115.700 -0.025 0.000 2.452 217 S HA 0.118 4.591 4.470 0.005 0.000 0.225 217 S C 0.389 175.018 174.600 0.049 0.000 1.057 217 S CA 0.091 58.320 58.200 0.048 0.000 0.949 217 S CB 0.172 63.391 63.200 0.032 0.000 0.836 217 S HN 0.765 nan 8.310 nan 0.000 0.518 218 C N 2.517 121.740 119.300 -0.128 0.000 2.329 218 C HA 0.757 5.220 4.460 0.005 0.000 0.329 218 C C -0.602 174.169 174.990 -0.365 0.000 1.275 218 C CA -1.041 57.918 59.018 -0.099 0.000 1.726 218 C CB -0.831 26.857 27.740 -0.087 0.000 2.291 218 C HN 0.339 nan 8.230 nan 0.000 0.514 219 F N 2.524 122.503 119.950 0.048 0.000 2.563 219 F HA 0.778 5.308 4.527 0.005 0.000 0.316 219 F C -0.317 175.476 175.800 -0.013 0.000 1.076 219 F CA -0.897 57.121 58.000 0.030 0.000 0.921 219 F CB 1.184 40.210 39.000 0.043 0.000 1.209 219 F HN 0.177 nan 8.300 nan 0.000 0.462 220 L N 3.934 125.226 121.223 0.115 0.000 2.386 220 L HA 0.746 5.089 4.340 0.005 0.000 0.271 220 L C -0.923 175.918 176.870 -0.049 0.000 0.993 220 L CA -0.595 54.228 54.840 -0.029 0.000 0.819 220 L CB 1.980 43.961 42.059 -0.131 0.000 1.294 220 L HN 0.425 nan 8.230 nan 0.000 0.414 221 L N -0.158 121.001 121.223 -0.107 0.000 2.434 221 L HA 0.868 5.211 4.340 0.005 0.000 0.260 221 L C -0.323 176.444 176.870 -0.172 0.000 0.983 221 L CA -0.818 53.951 54.840 -0.120 0.000 0.820 221 L CB 2.107 44.121 42.059 -0.076 0.000 1.361 221 L HN 0.597 nan 8.230 nan 0.000 0.410 222 S N 1.069 116.670 115.700 -0.165 0.000 2.541 222 S HA 0.568 5.041 4.470 0.005 0.000 0.283 222 S C -0.134 174.405 174.600 -0.102 0.000 1.196 222 S CA -0.704 57.402 58.200 -0.157 0.000 1.062 222 S CB 1.593 64.699 63.200 -0.158 0.000 1.009 222 S HN 0.642 nan 8.310 nan 0.000 0.502 223 M N 3.298 122.843 119.600 -0.091 0.000 2.290 223 M HA 0.098 4.581 4.480 0.005 0.000 0.356 223 M C 1.219 177.507 176.300 -0.021 0.000 1.448 223 M CA 0.456 55.726 55.300 -0.051 0.000 0.993 223 M CB 0.043 32.615 32.600 -0.046 0.000 1.934 223 M HN 0.841 nan 8.290 nan 0.000 0.461 224 K N 1.734 122.132 120.400 -0.003 0.000 2.026 224 K HA -0.112 4.211 4.320 0.005 0.000 0.208 224 K C 0.058 176.671 176.600 0.022 0.000 1.048 224 K CA 1.581 57.872 56.287 0.008 0.000 0.929 224 K CB -0.014 32.497 32.500 0.018 0.000 0.713 224 K HN 0.766 nan 8.250 nan 0.000 0.439 225 D N -1.146 119.274 120.400 0.034 0.000 2.663 225 D HA 0.022 4.665 4.640 0.005 0.000 0.233 225 D C -1.897 174.435 176.300 0.052 0.000 1.240 225 D CA -0.617 53.410 54.000 0.044 0.000 0.774 225 D CB 1.402 42.228 40.800 0.043 0.000 1.443 225 D HN -0.177 nan 8.370 nan 0.000 0.441 226 D N 1.177 121.611 120.400 0.058 0.000 2.600 226 D HA 0.319 4.962 4.640 0.005 0.000 0.226 226 D C -1.016 175.318 176.300 0.057 0.000 1.119 226 D CA 0.357 54.395 54.000 0.064 0.000 1.051 226 D CB -0.507 40.335 40.800 0.070 0.000 1.106 226 D HN 0.348 nan 8.370 nan 0.000 0.491 227 S N 1.386 117.125 115.700 0.065 0.000 2.565 227 S HA 0.279 4.752 4.470 0.005 0.000 0.269 227 S C 0.843 175.502 174.600 0.100 0.000 1.153 227 S CA -0.874 57.365 58.200 0.066 0.000 0.835 227 S CB 0.752 63.983 63.200 0.053 0.000 1.122 227 S HN -0.044 nan 8.310 nan 0.000 0.462 228 I N 1.462 122.095 120.570 0.106 0.000 2.286 228 I HA -0.083 4.090 4.170 0.005 0.000 0.248 228 I C 2.544 178.790 176.117 0.214 0.000 1.115 228 I CA 1.628 63.036 61.300 0.179 0.000 1.392 228 I CB -1.223 36.840 38.000 0.105 0.000 1.065 228 I HN 0.962 nan 8.210 nan 0.000 0.418 229 E N 0.651 120.923 120.200 0.121 0.000 2.051 229 E HA -0.174 4.179 4.350 0.005 0.000 0.192 229 E C 2.314 178.984 176.600 0.117 0.000 0.991 229 E CA 1.311 57.775 56.400 0.106 0.000 0.799 229 E CB -0.231 29.505 29.700 0.059 0.000 0.748 229 E HN 0.478 nan 8.360 nan 0.000 0.449 230 G N 0.991 109.847 108.800 0.093 0.000 2.402 230 G HA2 -0.231 3.732 3.960 0.005 0.000 0.216 230 G HA3 -0.231 3.732 3.960 0.005 0.000 0.216 230 G C 1.564 176.511 174.900 0.078 0.000 1.162 230 G CA 0.777 45.921 45.100 0.074 0.000 0.777 230 G HN 0.207 nan 8.290 nan 0.000 0.539 231 I N -0.745 119.883 120.570 0.097 0.000 2.163 231 I HA -0.212 3.961 4.170 0.005 0.000 0.243 231 I C 2.435 178.493 176.117 -0.097 0.000 1.085 231 I CA 1.184 62.512 61.300 0.047 0.000 1.347 231 I CB -0.244 37.793 38.000 0.060 0.000 1.044 231 I HN 0.131 nan 8.210 nan 0.000 0.408 232 Y N 0.544 120.861 120.300 0.029 0.000 2.337 232 Y HA -0.170 4.382 4.550 0.005 0.000 0.293 232 Y C 2.305 178.194 175.900 -0.019 0.000 1.123 232 Y CA 1.010 59.099 58.100 -0.018 0.000 1.201 232 Y CB -0.336 38.114 38.460 -0.017 0.000 1.011 232 Y HN 0.152 nan 8.280 nan 0.000 0.545 233 D N -0.719 119.746 120.400 0.109 0.000 2.123 233 D HA -0.148 4.495 4.640 0.005 0.000 0.196 233 D C 2.021 178.329 176.300 0.013 0.000 0.992 233 D CA 1.963 55.995 54.000 0.054 0.000 0.833 233 D CB -0.538 40.292 40.800 0.049 0.000 0.954 233 D HN 0.260 nan 8.370 nan 0.000 0.455 234 T N 0.883 115.444 114.554 0.012 0.000 2.915 234 T HA -0.085 4.268 4.350 0.005 0.000 0.269 234 T C 1.897 176.578 174.700 -0.031 0.000 1.071 234 T CA 0.268 62.373 62.100 0.009 0.000 1.132 234 T CB -0.117 68.781 68.868 0.051 0.000 0.878 234 T HN 0.024 nan 8.240 nan 0.000 0.479 235 L N 1.216 122.360 121.223 -0.133 0.000 2.072 235 L HA 0.153 4.496 4.340 0.005 0.000 0.205 235 L C 2.352 179.113 176.870 -0.182 0.000 1.079 235 L CA 1.701 56.329 54.840 -0.354 0.000 0.752 235 L CB -0.430 41.231 42.059 -0.664 0.000 0.906 235 L HN 0.040 nan 8.230 nan 0.000 0.436 236 K N -0.871 119.480 120.400 -0.082 0.000 2.032 236 K HA -0.253 4.070 4.320 0.005 0.000 0.209 236 K C 2.110 178.681 176.600 -0.048 0.000 1.048 236 K CA 2.003 58.271 56.287 -0.031 0.000 0.927 236 K CB -0.172 32.332 32.500 0.007 0.000 0.712 236 K HN 0.457 nan 8.250 nan 0.000 0.441 237 Q N -0.084 119.682 119.800 -0.056 0.000 2.062 237 Q HA -0.248 4.095 4.340 0.005 0.000 0.209 237 Q C 2.418 178.343 176.000 -0.124 0.000 0.996 237 Q CA 2.065 57.823 55.803 -0.076 0.000 0.859 237 Q CB -0.314 28.386 28.738 -0.063 0.000 0.920 237 Q HN 0.490 nan 8.270 nan 0.000 0.415 238 C N 0.129 119.328 119.300 -0.169 0.000 2.413 238 C HA -0.182 4.281 4.460 0.005 0.000 0.276 238 C C 2.882 177.812 174.990 -0.101 0.000 1.236 238 C CA 0.637 59.485 59.018 -0.284 0.000 1.735 238 C CB -1.421 25.952 27.740 -0.611 0.000 2.031 238 C HN 0.661 nan 8.230 nan 0.000 0.474 239 A N 0.842 123.643 122.820 -0.030 0.000 1.869 239 A HA -0.207 4.116 4.320 0.005 0.000 0.218 239 A C 2.124 179.709 177.584 0.003 0.000 1.203 239 A CA 2.088 54.153 52.037 0.047 0.000 0.638 239 A CB -0.838 18.186 19.000 0.040 0.000 0.831 239 A HN 0.632 nan 8.150 nan 0.000 0.450 240 L N -0.819 120.383 121.223 -0.036 0.000 2.017 240 L HA -0.179 4.164 4.340 0.005 0.000 0.208 240 L C 2.570 179.379 176.870 -0.103 0.000 1.073 240 L CA 1.373 56.181 54.840 -0.052 0.000 0.745 240 L CB -0.662 41.371 42.059 -0.045 0.000 0.894 240 L HN 0.394 nan 8.230 nan 0.000 0.432 241 I N -0.680 119.782 120.570 -0.180 0.000 2.163 241 I HA -0.337 3.836 4.170 0.005 0.000 0.243 241 I C 2.854 178.858 176.117 -0.188 0.000 1.085 241 I CA 1.582 62.670 61.300 -0.353 0.000 1.347 241 I CB -0.375 37.303 38.000 -0.536 0.000 1.044 241 I HN 0.195 nan 8.210 nan 0.000 0.408 242 S N 0.450 116.132 115.700 -0.030 0.000 2.383 242 S HA -0.217 4.256 4.470 0.005 0.000 0.227 242 S C 2.107 176.722 174.600 0.025 0.000 1.026 242 S CA 1.480 59.730 58.200 0.083 0.000 0.981 242 S CB -0.201 63.152 63.200 0.255 0.000 0.818 242 S HN 0.359 nan 8.310 nan 0.000 0.472 243 K N 1.045 121.439 120.400 -0.011 0.000 2.103 243 K HA -0.094 4.229 4.320 0.005 0.000 0.207 243 K C 1.815 178.400 176.600 -0.025 0.000 1.048 243 K CA 1.818 58.085 56.287 -0.035 0.000 0.930 243 K CB -0.407 32.066 32.500 -0.045 0.000 0.716 243 K HN 0.478 nan 8.250 nan 0.000 0.444 244 S N -0.620 115.064 115.700 -0.027 0.000 2.650 244 S HA 0.215 4.688 4.470 0.005 0.000 0.219 244 S C 0.736 175.365 174.600 0.048 0.000 0.960 244 S CA 0.373 58.571 58.200 -0.003 0.000 0.925 244 S CB 0.071 63.259 63.200 -0.020 0.000 0.775 244 S HN 0.535 nan 8.310 nan 0.000 0.525 245 A N -1.035 121.817 122.820 0.054 0.000 3.157 245 A HA 0.037 4.360 4.320 0.005 0.000 0.237 245 A C 0.747 178.434 177.584 0.172 0.000 1.330 245 A CA 0.427 52.525 52.037 0.103 0.000 0.992 245 A CB -2.271 16.800 19.000 0.118 0.000 1.131 245 A HN 1.398 nan 8.150 nan 0.000 0.781 246 G N -0.928 107.979 108.800 0.179 0.000 2.437 246 G HA2 0.712 4.675 3.960 0.005 0.000 0.319 246 G HA3 0.712 4.675 3.960 0.005 0.000 0.319 246 G C 0.311 175.383 174.900 0.287 0.000 1.158 246 G CA 0.149 45.449 45.100 0.333 0.000 0.899 246 G HN 1.525 nan 8.290 nan 0.000 0.502 247 G N -0.979 108.028 108.800 0.345 0.000 2.410 247 G HA2 0.597 4.560 3.960 0.005 0.000 0.330 247 G HA3 0.597 4.560 3.960 0.005 0.000 0.330 247 G C -0.744 174.350 174.900 0.324 0.000 1.142 247 G CA -0.643 44.631 45.100 0.289 0.000 0.902 247 G HN 0.616 nan 8.290 nan 0.000 0.491 248 I N 0.476 121.235 120.570 0.315 0.000 2.545 248 I HA 0.527 4.700 4.170 0.005 0.000 0.292 248 I C 0.370 176.619 176.117 0.220 0.000 1.040 248 I CA -0.895 60.549 61.300 0.239 0.000 1.068 248 I CB 2.658 40.728 38.000 0.116 0.000 1.251 248 I HN 0.588 nan 8.210 nan 0.000 0.424 249 G N 4.966 113.851 108.800 0.141 0.000 2.478 249 G HA2 0.660 4.623 3.960 0.005 0.000 0.317 249 G HA3 0.660 4.623 3.960 0.005 0.000 0.317 249 G C -1.099 173.800 174.900 -0.001 0.000 1.259 249 G CA -0.404 44.791 45.100 0.158 0.000 0.933 249 G HN 0.329 nan 8.290 nan 0.000 0.478 250 V N 1.286 121.219 119.914 0.032 0.000 2.588 250 V HA 0.720 4.843 4.120 0.005 0.000 0.304 250 V C 0.390 176.420 176.094 -0.106 0.000 1.042 250 V CA -1.081 61.157 62.300 -0.103 0.000 0.877 250 V CB 1.585 33.303 31.823 -0.175 0.000 0.996 250 V HN 1.063 nan 8.190 nan 0.000 0.425 251 A N 3.537 126.234 122.820 -0.205 0.000 2.302 251 A HA 0.609 4.932 4.320 0.005 0.000 0.295 251 A C 0.547 178.031 177.584 -0.167 0.000 1.235 251 A CA 0.020 51.927 52.037 -0.216 0.000 0.876 251 A CB 0.838 19.661 19.000 -0.294 0.000 1.133 251 A HN 1.648 nan 8.150 nan 0.000 0.533 252 V N 0.507 120.320 119.914 -0.167 0.000 3.380 252 V HA 0.133 4.256 4.120 0.005 0.000 0.307 252 V C 1.172 177.172 176.094 -0.157 0.000 1.434 252 V CA 1.016 63.213 62.300 -0.171 0.000 1.075 252 V CB -0.180 31.516 31.823 -0.210 0.000 0.954 252 V HN 0.568 nan 8.190 nan 0.000 0.444 253 S N 1.217 116.835 115.700 -0.136 0.000 2.474 253 S HA -0.140 4.333 4.470 0.005 0.000 0.235 253 S C 1.836 176.557 174.600 0.201 0.000 0.997 253 S CA 1.648 59.797 58.200 -0.084 0.000 0.949 253 S CB -0.522 62.589 63.200 -0.149 0.000 0.766 253 S HN 1.029 nan 8.310 nan 0.000 0.517 254 C N 0.443 119.839 119.300 0.159 0.000 2.562 254 C HA 0.369 4.832 4.460 0.005 0.000 0.266 254 C C 0.772 175.869 174.990 0.178 0.000 1.382 254 C CA -1.082 58.059 59.018 0.205 0.000 1.742 254 C CB -1.379 26.444 27.740 0.140 0.000 1.812 254 C HN 0.197 nan 8.230 nan 0.000 0.559 255 I N 3.441 124.103 120.570 0.154 0.000 2.556 255 I HA 0.170 4.343 4.170 0.005 0.000 0.284 255 I C 1.118 177.378 176.117 0.238 0.000 1.114 255 I CA 0.232 61.620 61.300 0.147 0.000 1.418 255 I CB 0.098 38.144 38.000 0.078 0.000 1.394 255 I HN 0.567 nan 8.210 nan 0.000 0.552 256 R N 5.668 126.263 120.500 0.159 0.000 2.679 256 R HA 0.636 4.979 4.340 0.005 0.000 0.269 256 R C -0.334 176.054 176.300 0.146 0.000 1.076 256 R CA -0.574 55.603 56.100 0.129 0.000 1.160 256 R CB 0.574 30.920 30.300 0.076 0.000 1.054 256 R HN 0.594 nan 8.270 nan 0.000 0.507 257 A N 1.638 124.513 122.820 0.091 0.000 2.256 257 A HA 0.343 4.666 4.320 0.005 0.000 0.318 257 A C -0.279 177.371 177.584 0.111 0.000 1.103 257 A CA -0.763 51.349 52.037 0.125 0.000 0.860 257 A CB 0.729 19.720 19.000 -0.015 0.000 1.182 257 A HN 0.807 nan 8.150 nan 0.000 0.501 258 T N 0.843 115.474 114.554 0.128 0.000 2.849 258 T HA 0.374 4.727 4.350 0.005 0.000 0.289 258 T C 1.403 176.150 174.700 0.079 0.000 1.010 258 T CA 1.757 63.917 62.100 0.100 0.000 1.161 258 T CB 0.057 68.986 68.868 0.101 0.000 0.989 258 T HN 2.054 nan 8.240 nan 0.000 0.523 259 G N 3.031 111.875 108.800 0.074 0.000 2.213 259 G HA2 -0.249 3.714 3.960 0.005 0.000 0.226 259 G HA3 -0.249 3.714 3.960 0.005 0.000 0.226 259 G C 0.343 175.291 174.900 0.079 0.000 0.992 259 G CA -0.066 45.075 45.100 0.068 0.000 0.632 259 G HN 0.806 nan 8.290 nan 0.000 0.511 260 S N 0.080 115.827 115.700 0.079 0.000 2.580 260 S HA 0.518 4.991 4.470 0.005 0.000 0.274 260 S C -0.055 174.623 174.600 0.129 0.000 1.329 260 S CA -0.488 57.767 58.200 0.092 0.000 1.036 260 S CB 1.288 64.526 63.200 0.065 0.000 0.919 260 S HN 0.480 nan 8.310 nan 0.000 0.515 261 Y N 1.940 122.245 120.300 0.009 0.000 2.497 261 Y HA 0.320 4.873 4.550 0.005 0.000 0.334 261 Y C -0.349 175.561 175.900 0.016 0.000 1.199 261 Y CA -0.151 57.955 58.100 0.010 0.000 1.425 261 Y CB 0.285 38.746 38.460 0.002 0.000 1.291 261 Y HN 0.477 nan 8.280 nan 0.000 0.562 262 I N 6.872 127.051 120.570 -0.652 0.000 2.437 262 I HA 0.274 4.447 4.170 0.005 0.000 0.279 262 I C 0.796 176.369 176.117 -0.906 0.000 1.028 262 I CA -0.220 60.740 61.300 -0.567 0.000 1.142 262 I CB 1.432 39.282 38.000 -0.250 0.000 1.266 262 I HN 0.870 nan 8.210 nan 0.000 0.461 263 A N 4.776 127.135 122.820 -0.768 0.000 1.917 263 A HA -0.151 4.172 4.320 0.005 0.000 0.219 263 A C 2.261 179.706 177.584 -0.231 0.000 1.182 263 A CA 2.220 53.978 52.037 -0.464 0.000 0.633 263 A CB -0.930 17.991 19.000 -0.131 0.000 0.819 263 A HN 0.828 nan 8.150 nan 0.000 0.448 264 G N -1.294 107.399 108.800 -0.178 0.000 2.448 264 G HA2 -0.087 3.876 3.960 0.005 0.000 0.219 264 G HA3 -0.087 3.876 3.960 0.005 0.000 0.219 264 G C 1.372 176.230 174.900 -0.071 0.000 1.127 264 G CA 1.939 46.985 45.100 -0.090 0.000 0.766 264 G HN 0.930 nan 8.290 nan 0.000 0.552 265 T N -3.720 110.775 114.554 -0.098 0.000 3.111 265 T HA 0.205 4.558 4.350 0.005 0.000 0.284 265 T C 0.825 175.510 174.700 -0.025 0.000 0.983 265 T CA 0.315 62.386 62.100 -0.049 0.000 0.900 265 T CB -0.110 68.734 68.868 -0.041 0.000 1.132 265 T HN 0.135 nan 8.240 nan 0.000 0.531 266 N N 0.734 119.407 118.700 -0.045 0.000 2.721 266 N HA -0.106 4.637 4.740 0.005 0.000 0.249 266 N C 0.281 175.898 175.510 0.179 0.000 1.072 266 N CA 1.059 54.188 53.050 0.132 0.000 0.710 266 N CB -1.187 37.393 38.487 0.155 0.000 0.993 266 N HN 0.925 nan 8.380 nan 0.000 0.547 267 G N -1.118 107.705 108.800 0.038 0.000 3.108 267 G HA2 0.661 4.624 3.960 0.005 0.000 0.268 267 G HA3 0.661 4.624 3.960 0.005 0.000 0.268 267 G C -0.906 174.051 174.900 0.095 0.000 1.361 267 G CA -0.767 44.377 45.100 0.073 0.000 1.047 267 G HN 0.304 nan 8.290 nan 0.000 0.540 268 N N -0.285 118.467 118.700 0.086 0.000 2.354 268 N HA 0.446 5.189 4.740 0.005 0.000 0.287 268 N C -0.204 175.342 175.510 0.060 0.000 1.016 268 N CA -0.371 52.735 53.050 0.093 0.000 0.871 268 N CB 2.067 40.613 38.487 0.099 0.000 1.299 268 N HN 0.488 nan 8.380 nan 0.000 0.482 269 S N 1.166 116.899 115.700 0.055 0.000 2.563 269 S HA 0.019 4.492 4.470 0.005 0.000 0.284 269 S C 0.639 175.280 174.600 0.068 0.000 1.331 269 S CA 0.094 58.328 58.200 0.057 0.000 1.047 269 S CB 0.227 63.465 63.200 0.063 0.000 0.859 269 S HN 0.639 nan 8.310 nan 0.000 0.514 270 N N 2.035 120.778 118.700 0.071 0.000 2.280 270 N HA 0.336 5.079 4.740 0.005 0.000 0.192 270 N C 0.784 176.348 175.510 0.090 0.000 1.109 270 N CA 0.268 53.363 53.050 0.075 0.000 0.855 270 N CB 0.415 38.942 38.487 0.068 0.000 0.974 270 N HN 0.895 nan 8.380 nan 0.000 0.482 271 G N 0.931 109.791 108.800 0.101 0.000 2.642 271 G HA2 -0.301 3.662 3.960 0.005 0.000 0.231 271 G HA3 -0.301 3.662 3.960 0.005 0.000 0.231 271 G C 0.466 175.433 174.900 0.112 0.000 1.338 271 G CA -0.334 44.842 45.100 0.125 0.000 0.883 271 G HN 0.112 nan 8.290 nan 0.000 0.570 272 L N 0.118 121.407 121.223 0.110 0.000 2.156 272 L HA -0.031 4.312 4.340 0.005 0.000 0.208 272 L C 3.173 180.099 176.870 0.093 0.000 1.095 272 L CA 1.150 56.034 54.840 0.073 0.000 0.770 272 L CB -0.754 41.308 42.059 0.004 0.000 0.914 272 L HN 0.441 nan 8.230 nan 0.000 0.439 273 V N 0.873 120.845 119.914 0.096 0.000 2.255 273 V HA -0.180 3.943 4.120 0.005 0.000 0.247 273 V C -0.176 175.970 176.094 0.086 0.000 1.051 273 V CA 2.267 64.619 62.300 0.085 0.000 1.018 273 V CB -1.571 30.293 31.823 0.067 0.000 0.641 273 V HN 0.383 nan 8.190 nan 0.000 0.445 274 P HA -0.115 nan 4.420 nan 0.000 0.227 274 P C 1.855 179.222 177.300 0.111 0.000 1.161 274 P CA 1.310 64.463 63.100 0.088 0.000 0.788 274 P CB -0.063 31.684 31.700 0.079 0.000 0.822 275 M N -0.271 119.401 119.600 0.119 0.000 2.086 275 M HA -0.119 4.364 4.480 0.005 0.000 0.261 275 M C 2.032 178.461 176.300 0.215 0.000 1.067 275 M CA 1.766 57.156 55.300 0.149 0.000 1.116 275 M CB -0.622 32.053 32.600 0.125 0.000 1.348 275 M HN -0.146 nan 8.290 nan 0.000 0.407 276 L N -0.451 120.873 121.223 0.168 0.000 2.191 276 L HA -0.208 4.135 4.340 0.005 0.000 0.212 276 L C 2.545 179.540 176.870 0.209 0.000 1.103 276 L CA 1.000 55.952 54.840 0.187 0.000 0.769 276 L CB -0.608 41.538 42.059 0.146 0.000 0.908 276 L HN 0.336 nan 8.230 nan 0.000 0.438 277 R N -0.616 119.972 120.500 0.148 0.000 2.120 277 R HA -0.120 4.223 4.340 0.005 0.000 0.234 277 R C 2.176 178.541 176.300 0.109 0.000 1.123 277 R CA 1.153 57.318 56.100 0.109 0.000 0.975 277 R CB -0.414 29.932 30.300 0.076 0.000 0.866 277 R HN 0.251 nan 8.270 nan 0.000 0.446 278 V N 0.009 119.996 119.914 0.121 0.000 2.307 278 V HA -0.252 3.871 4.120 0.005 0.000 0.245 278 V C 1.845 177.962 176.094 0.038 0.000 1.045 278 V CA 1.639 63.972 62.300 0.055 0.000 1.024 278 V CB -0.687 31.137 31.823 0.003 0.000 0.651 278 V HN 0.215 nan 8.190 nan 0.000 0.449 279 Y N 0.903 121.233 120.300 0.051 0.000 2.128 279 Y HA -0.299 4.254 4.550 0.005 0.000 0.284 279 Y C 2.601 178.606 175.900 0.175 0.000 1.154 279 Y CA 2.346 60.532 58.100 0.144 0.000 1.149 279 Y CB -0.664 37.874 38.460 0.130 0.000 0.976 279 Y HN 0.348 nan 8.280 nan 0.000 0.505 280 N N 0.140 118.985 118.700 0.242 0.000 2.037 280 N HA -0.238 4.505 4.740 0.005 0.000 0.196 280 N C 1.388 176.923 175.510 0.041 0.000 1.034 280 N CA 1.983 55.087 53.050 0.090 0.000 0.861 280 N CB -0.237 38.284 38.487 0.057 0.000 1.039 280 N HN 0.167 nan 8.380 nan 0.000 0.427 281 N N -1.032 117.701 118.700 0.055 0.000 2.331 281 N HA -0.028 4.715 4.740 0.005 0.000 0.180 281 N C 1.291 176.844 175.510 0.073 0.000 1.019 281 N CA 0.969 54.040 53.050 0.036 0.000 0.881 281 N CB -0.514 37.983 38.487 0.016 0.000 0.972 281 N HN 0.293 nan 8.380 nan 0.000 0.435 282 T N 0.391 115.006 114.554 0.101 0.000 2.788 282 T HA -0.047 4.306 4.350 0.005 0.000 0.268 282 T C 1.911 176.713 174.700 0.170 0.000 1.044 282 T CA 1.261 63.467 62.100 0.176 0.000 1.139 282 T CB -0.252 68.701 68.868 0.142 0.000 0.867 282 T HN 0.315 nan 8.240 nan 0.000 0.454 283 A N 1.644 124.458 122.820 -0.010 0.000 1.930 283 A HA -0.075 4.248 4.320 0.005 0.000 0.217 283 A C 2.361 179.820 177.584 -0.208 0.000 1.175 283 A CA 1.167 52.923 52.037 -0.468 0.000 0.627 283 A CB -0.409 17.989 19.000 -1.004 0.000 0.815 283 A HN 0.381 nan 8.150 nan 0.000 0.443 284 R N -2.372 118.080 120.500 -0.080 0.000 2.115 284 R HA -0.096 4.247 4.340 0.005 0.000 0.230 284 R C 2.065 178.403 176.300 0.062 0.000 1.111 284 R CA 1.451 57.537 56.100 -0.022 0.000 0.976 284 R CB -0.356 29.946 30.300 0.003 0.000 0.870 284 R HN 0.693 nan 8.270 nan 0.000 0.445 285 Y N 1.023 121.296 120.300 -0.046 0.000 2.176 285 Y HA -0.003 4.550 4.550 0.005 0.000 0.291 285 Y C 0.555 176.445 175.900 -0.017 0.000 1.122 285 Y CA 0.507 58.593 58.100 -0.023 0.000 1.128 285 Y CB 0.239 38.695 38.460 -0.007 0.000 1.005 285 Y HN -0.329 nan 8.280 nan 0.000 0.509 286 V N 3.648 123.468 119.914 -0.157 0.000 2.320 286 V HA 0.135 4.258 4.120 0.005 0.000 0.265 286 V C -0.637 175.376 176.094 -0.135 0.000 1.048 286 V CA -1.074 61.075 62.300 -0.252 0.000 0.865 286 V CB 0.205 31.968 31.823 -0.099 0.000 1.043 286 V HN 0.131 nan 8.190 nan 0.000 0.474 287 D N 3.385 123.694 120.400 -0.153 0.000 2.449 287 D HA 0.030 4.673 4.640 0.005 0.000 0.236 287 D C 0.543 176.808 176.300 -0.057 0.000 1.149 287 D CA 0.347 54.291 54.000 -0.093 0.000 0.878 287 D CB 0.732 41.473 40.800 -0.099 0.000 1.198 287 D HN 0.532 nan 8.370 nan 0.000 0.446 288 Q N 0.992 120.780 119.800 -0.021 0.000 2.337 288 Q HA 0.341 4.684 4.340 0.005 0.000 0.255 288 Q C 1.008 176.999 176.000 -0.016 0.000 1.205 288 Q CA 0.204 56.014 55.803 0.012 0.000 0.902 288 Q CB 0.016 28.785 28.738 0.052 0.000 1.433 288 Q HN 0.682 nan 8.270 nan 0.000 0.471 289 G N 2.015 110.797 108.800 -0.030 0.000 2.575 289 G HA2 -0.293 3.670 3.960 0.005 0.000 0.267 289 G HA3 -0.293 3.670 3.960 0.005 0.000 0.267 289 G C 0.340 175.180 174.900 -0.099 0.000 1.264 289 G CA -0.415 44.646 45.100 -0.065 0.000 0.935 289 G HN 0.762 nan 8.290 nan 0.000 0.568 290 G N -0.867 107.849 108.800 -0.140 0.000 4.144 290 G HA2 0.448 4.411 3.960 0.005 0.000 0.297 290 G HA3 0.448 4.411 3.960 0.005 0.000 0.297 290 G C 0.331 175.135 174.900 -0.160 0.000 1.090 290 G CA 0.813 45.830 45.100 -0.139 0.000 0.870 290 G HN 0.682 nan 8.290 nan 0.000 0.532 291 N N 0.920 119.515 118.700 -0.174 0.000 2.338 291 N HA 0.169 4.912 4.740 0.005 0.000 0.251 291 N C 0.875 176.319 175.510 -0.109 0.000 1.199 291 N CA -0.315 52.633 53.050 -0.171 0.000 0.879 291 N CB -0.079 38.251 38.487 -0.261 0.000 1.159 291 N HN 0.128 nan 8.380 nan 0.000 0.514 292 K N -2.075 118.273 120.400 -0.087 0.000 3.209 292 K HA -0.229 4.094 4.320 0.005 0.000 0.289 292 K C -0.122 176.454 176.600 -0.039 0.000 1.191 292 K CA 0.798 57.050 56.287 -0.058 0.000 0.851 292 K CB -1.995 30.477 32.500 -0.047 0.000 1.242 292 K HN 0.404 nan 8.250 nan 0.000 0.480 293 R N 1.593 122.071 120.500 -0.037 0.000 2.196 293 R HA 0.278 4.621 4.340 0.005 0.000 0.340 293 R C -2.367 173.933 176.300 -0.000 0.000 1.043 293 R CA -1.509 54.589 56.100 -0.004 0.000 0.883 293 R CB -0.496 29.813 30.300 0.015 0.000 1.078 293 R HN 0.003 nan 8.270 nan 0.000 0.462 294 P HA 0.135 nan 4.420 nan 0.000 0.272 294 P C 0.394 177.682 177.300 -0.020 0.000 1.223 294 P CA 0.034 63.125 63.100 -0.015 0.000 0.784 294 P CB 0.989 32.685 31.700 -0.007 0.000 0.923 295 G N 1.312 110.058 108.800 -0.091 0.000 2.287 295 G HA2 0.330 4.293 3.960 0.005 0.000 0.235 295 G HA3 0.330 4.293 3.960 0.005 0.000 0.235 295 G C -0.265 174.517 174.900 -0.197 0.000 1.258 295 G CA -0.040 44.956 45.100 -0.174 0.000 0.884 295 G HN 0.665 nan 8.290 nan 0.000 0.518 296 A N 2.657 125.445 122.820 -0.054 0.000 2.409 296 A HA 0.686 5.009 4.320 0.005 0.000 0.300 296 A C -0.592 177.199 177.584 0.344 0.000 1.273 296 A CA -0.688 51.451 52.037 0.169 0.000 0.774 296 A CB 0.525 19.642 19.000 0.196 0.000 1.144 296 A HN 0.631 nan 8.150 nan 0.000 0.472 297 F N 2.268 122.371 119.950 0.255 0.000 2.402 297 F HA 0.593 5.123 4.527 0.005 0.000 0.355 297 F C 0.816 176.708 175.800 0.154 0.000 1.123 297 F CA -0.947 57.151 58.000 0.163 0.000 1.021 297 F CB 2.019 41.076 39.000 0.094 0.000 1.160 297 F HN 0.623 nan 8.300 nan 0.000 0.451 298 A N 4.603 127.623 122.820 0.333 0.000 2.320 298 A HA 0.628 4.951 4.320 0.005 0.000 0.287 298 A C -0.603 177.020 177.584 0.065 0.000 1.181 298 A CA -0.464 51.665 52.037 0.153 0.000 0.831 298 A CB 0.191 19.324 19.000 0.221 0.000 1.102 298 A HN 0.532 nan 8.150 nan 0.000 0.513 299 I N 2.815 123.298 120.570 -0.146 0.000 2.336 299 I HA 0.305 4.478 4.170 0.005 0.000 0.292 299 I C -0.725 175.412 176.117 0.034 0.000 0.991 299 I CA -1.167 60.122 61.300 -0.018 0.000 1.227 299 I CB 0.395 38.388 38.000 -0.012 0.000 1.366 299 I HN 0.485 nan 8.210 nan 0.000 0.466 300 Y N 6.511 126.778 120.300 -0.055 0.000 2.331 300 Y HA 0.631 5.184 4.550 0.006 0.000 0.338 300 Y C -0.237 175.515 175.900 -0.246 0.000 0.992 300 Y CA -0.852 57.187 58.100 -0.102 0.000 1.121 300 Y CB 1.711 40.039 38.460 -0.219 0.000 1.184 300 Y HN 0.387 nan 8.280 nan 0.000 0.469 301 L N 3.589 124.663 121.223 -0.250 0.000 2.410 301 L HA 0.505 4.848 4.340 0.005 0.000 0.270 301 L C -0.790 175.826 176.870 -0.422 0.000 0.983 301 L CA -0.723 53.775 54.840 -0.572 0.000 0.822 301 L CB 1.723 42.984 42.059 -1.330 0.000 1.285 301 L HN 0.597 nan 8.230 nan 0.000 0.409 302 E N 5.987 125.900 120.200 -0.478 0.000 2.313 302 E HA 0.259 4.612 4.350 0.005 0.000 0.276 302 E C -1.901 174.298 176.600 -0.668 0.000 1.031 302 E CA -1.599 54.504 56.400 -0.496 0.000 0.857 302 E CB 0.840 30.199 29.700 -0.569 0.000 1.040 302 E HN 0.425 nan 8.360 nan 0.000 0.408 303 P HA -0.088 nan 4.420 nan 0.000 0.249 303 P C 0.461 177.833 177.300 0.120 0.000 1.241 303 P CA 0.476 63.352 63.100 -0.374 0.000 0.781 303 P CB -0.189 31.039 31.700 -0.787 0.000 1.088 304 W N -1.582 119.912 121.300 0.324 0.000 3.003 304 W HA 0.125 4.787 4.660 0.005 0.000 0.257 304 W C 0.348 176.992 176.519 0.208 0.000 1.308 304 W CA -0.382 57.177 57.345 0.357 0.000 1.529 304 W CB -1.452 28.209 29.460 0.336 0.000 1.115 304 W HN -0.012 nan 8.180 nan 0.000 0.659 305 H N 2.576 121.595 119.070 -0.083 0.000 2.803 305 H HA -0.004 4.555 4.556 0.005 0.000 0.330 305 H C 1.093 176.462 175.328 0.068 0.000 1.057 305 H CA 0.228 56.245 56.048 -0.052 0.000 1.458 305 H CB 1.884 31.358 29.762 -0.480 0.000 1.470 305 H HN 0.025 nan 8.280 nan 0.000 0.560 306 L N 4.339 125.598 121.223 0.060 0.000 2.189 306 L HA -0.160 4.183 4.340 0.005 0.000 0.214 306 L C 1.286 178.310 176.870 0.256 0.000 1.097 306 L CA 1.735 56.664 54.840 0.149 0.000 0.764 306 L CB -0.236 41.853 42.059 0.050 0.000 0.900 306 L HN 0.622 nan 8.230 nan 0.000 0.436 307 D N -1.163 119.481 120.400 0.407 0.000 2.328 307 D HA -0.034 4.609 4.640 0.005 0.000 0.226 307 D C 2.050 178.458 176.300 0.180 0.000 1.066 307 D CA 0.255 54.426 54.000 0.286 0.000 0.861 307 D CB 0.208 41.167 40.800 0.265 0.000 0.912 307 D HN 0.376 nan 8.370 nan 0.000 0.521 308 I N -0.027 120.612 120.570 0.115 0.000 2.194 308 I HA -0.284 3.889 4.170 0.005 0.000 0.246 308 I C 1.749 177.871 176.117 0.009 0.000 1.093 308 I CA 1.395 62.666 61.300 -0.048 0.000 1.355 308 I CB -0.197 37.699 38.000 -0.174 0.000 1.046 308 I HN -0.133 nan 8.210 nan 0.000 0.413 309 F N 0.683 120.695 119.950 0.104 0.000 2.134 309 F HA -0.207 4.323 4.527 0.005 0.000 0.299 309 F C 2.406 178.240 175.800 0.056 0.000 1.097 309 F CA 1.608 59.659 58.000 0.085 0.000 1.264 309 F CB -0.417 38.637 39.000 0.089 0.000 1.001 309 F HN 0.087 nan 8.300 nan 0.000 0.479 310 E N -0.441 119.902 120.200 0.237 0.000 2.107 310 E HA -0.170 4.183 4.350 0.005 0.000 0.191 310 E C 1.862 178.489 176.600 0.045 0.000 0.982 310 E CA 0.808 57.282 56.400 0.124 0.000 0.809 310 E CB -0.632 29.139 29.700 0.118 0.000 0.756 310 E HN 0.394 nan 8.360 nan 0.000 0.459 311 F N 0.852 120.737 119.950 -0.109 0.000 2.126 311 F HA -0.141 4.389 4.527 0.005 0.000 0.299 311 F C 1.552 177.123 175.800 -0.382 0.000 1.096 311 F CA 1.257 59.117 58.000 -0.233 0.000 1.255 311 F CB -0.039 38.839 39.000 -0.204 0.000 0.997 311 F HN -0.045 nan 8.300 nan 0.000 0.479 312 L N -0.050 121.117 121.223 -0.093 0.000 2.549 312 L HA -0.142 4.201 4.340 0.005 0.000 0.229 312 L C 1.068 177.767 176.870 -0.286 0.000 1.158 312 L CA 0.664 55.363 54.840 -0.236 0.000 0.842 312 L CB -0.612 41.392 42.059 -0.090 0.000 0.952 312 L HN 0.112 nan 8.230 nan 0.000 0.452 313 D N -0.790 119.457 120.400 -0.255 0.000 2.389 313 D HA 0.057 4.700 4.640 0.005 0.000 0.206 313 D C 2.244 178.357 176.300 -0.311 0.000 1.055 313 D CA 0.302 54.177 54.000 -0.209 0.000 0.856 313 D CB 0.356 41.106 40.800 -0.082 0.000 0.957 313 D HN 0.218 nan 8.370 nan 0.000 0.509 314 L N 0.269 121.175 121.223 -0.528 0.000 2.131 314 L HA -0.107 4.236 4.340 0.005 0.000 0.210 314 L C 2.065 178.709 176.870 -0.376 0.000 1.092 314 L CA 1.052 55.602 54.840 -0.484 0.000 0.759 314 L CB -0.074 41.585 42.059 -0.667 0.000 0.903 314 L HN -0.112 nan 8.230 nan 0.000 0.435 315 K N 0.309 120.412 120.400 -0.496 0.000 2.444 315 K HA 0.042 4.365 4.320 0.005 0.000 0.193 315 K C 0.180 176.696 176.600 -0.140 0.000 1.024 315 K CA -0.000 56.166 56.287 -0.201 0.000 1.077 315 K CB 0.291 32.721 32.500 -0.117 0.000 0.833 315 K HN 0.092 nan 8.250 nan 0.000 0.517 316 K N 0.600 120.910 120.400 -0.151 0.000 2.270 316 K HA 0.065 4.388 4.320 0.005 0.000 0.276 316 K C 0.500 177.064 176.600 -0.061 0.000 1.023 316 K CA -0.404 55.829 56.287 -0.091 0.000 0.955 316 K CB 0.743 33.196 32.500 -0.079 0.000 0.975 316 K HN -0.039 nan 8.250 nan 0.000 0.471 317 N N 0.649 119.324 118.700 -0.041 0.000 2.289 317 N HA -0.095 4.648 4.740 0.005 0.000 0.184 317 N C 0.542 176.037 175.510 -0.025 0.000 1.016 317 N CA 1.000 54.032 53.050 -0.029 0.000 0.872 317 N CB -0.057 38.419 38.487 -0.019 0.000 0.973 317 N HN 0.739 nan 8.380 nan 0.000 0.433 318 T N -3.212 111.327 114.554 -0.024 0.000 2.923 318 T HA 0.727 5.080 4.350 0.005 0.000 0.281 318 T C 0.645 175.332 174.700 -0.021 0.000 0.995 318 T CA -0.154 61.935 62.100 -0.018 0.000 0.985 318 T CB 2.063 70.924 68.868 -0.011 0.000 1.114 318 T HN 0.326 nan 8.240 nan 0.000 0.548 319 G N 0.449 109.240 108.800 -0.014 0.000 2.498 319 G HA2 0.070 4.033 3.960 0.005 0.000 0.651 319 G HA3 0.070 4.033 3.960 0.005 0.000 0.651 319 G C -1.292 173.601 174.900 -0.012 0.000 1.284 319 G CA -0.905 44.187 45.100 -0.013 0.000 0.950 319 G HN 0.864 nan 8.290 nan 0.000 0.511 320 K N 0.402 120.797 120.400 -0.009 0.000 2.143 320 K HA 0.451 4.774 4.320 0.005 0.000 0.272 320 K C 1.212 177.808 176.600 -0.007 0.000 1.001 320 K CA -0.654 55.630 56.287 -0.005 0.000 0.915 320 K CB 1.332 33.831 32.500 -0.001 0.000 1.047 320 K HN 0.454 nan 8.250 nan 0.000 0.458 321 E N 2.104 122.301 120.200 -0.005 0.000 2.130 321 E HA -0.242 4.111 4.350 0.005 0.000 0.196 321 E C 1.061 177.662 176.600 0.001 0.000 0.998 321 E CA 1.629 58.026 56.400 -0.004 0.000 0.806 321 E CB 0.039 29.738 29.700 -0.002 0.000 0.738 321 E HN 0.568 nan 8.360 nan 0.000 0.459 322 E N 0.786 120.989 120.200 0.006 0.000 2.267 322 E HA -0.176 4.177 4.350 0.005 0.000 0.197 322 E C 1.555 178.162 176.600 0.013 0.000 0.998 322 E CA 0.895 57.303 56.400 0.013 0.000 0.830 322 E CB -0.159 29.550 29.700 0.015 0.000 0.751 322 E HN 0.350 nan 8.360 nan 0.000 0.491 323 Q N -0.207 119.594 119.800 0.002 0.000 2.247 323 Q HA 0.170 4.513 4.340 0.005 0.000 0.204 323 Q C -0.050 175.933 176.000 -0.028 0.000 0.872 323 Q CA -0.061 55.738 55.803 -0.006 0.000 0.951 323 Q CB 0.667 29.400 28.738 -0.008 0.000 1.099 323 Q HN -0.033 nan 8.270 nan 0.000 0.501 324 R N -0.045 120.441 120.500 -0.023 0.000 2.854 324 R HA 0.735 5.078 4.340 0.005 0.000 0.271 324 R C -1.109 175.184 176.300 -0.011 0.000 0.994 324 R CA -0.836 55.240 56.100 -0.040 0.000 0.945 324 R CB 1.872 32.148 30.300 -0.039 0.000 1.194 324 R HN -0.049 nan 8.270 nan 0.000 0.476 325 A N 1.859 124.678 122.820 -0.001 0.000 3.124 325 A HA 0.286 4.609 4.320 0.005 0.000 0.295 325 A C 0.219 177.834 177.584 0.050 0.000 1.199 325 A CA -0.541 51.522 52.037 0.044 0.000 0.845 325 A CB 0.403 19.468 19.000 0.108 0.000 1.381 325 A HN 0.703 nan 8.150 nan 0.000 0.537 326 R N 0.269 120.757 120.500 -0.019 0.000 2.313 326 R HA 0.055 4.398 4.340 0.005 0.000 0.199 326 R C -0.062 176.143 176.300 -0.158 0.000 0.958 326 R CA 0.627 56.695 56.100 -0.054 0.000 1.047 326 R CB 0.330 30.595 30.300 -0.058 0.000 0.955 326 R HN 0.514 nan 8.270 nan 0.000 0.481 327 D N 0.350 120.634 120.400 -0.193 0.000 2.349 327 D HA 0.086 4.729 4.640 0.005 0.000 0.214 327 D C 0.489 176.478 176.300 -0.519 0.000 1.063 327 D CA 0.328 54.142 54.000 -0.311 0.000 0.847 327 D CB 0.537 41.221 40.800 -0.193 0.000 0.933 327 D HN 0.134 nan 8.370 nan 0.000 0.513 328 L N -0.093 120.833 121.223 -0.495 0.000 2.431 328 L HA 0.367 4.710 4.340 0.005 0.000 0.260 328 L C -0.141 176.077 176.870 -1.087 0.000 1.098 328 L CA -0.727 53.701 54.840 -0.687 0.000 0.800 328 L CB 0.626 42.303 42.059 -0.635 0.000 1.210 328 L HN -0.263 nan 8.230 nan 0.000 0.465 329 F N -0.181 119.382 119.950 -0.644 0.000 2.507 329 F HA 0.549 5.079 4.527 0.005 0.000 0.327 329 F C -0.474 174.666 175.800 -1.100 0.000 1.068 329 F CA -0.450 57.171 58.000 -0.632 0.000 0.965 329 F CB 1.420 40.301 39.000 -0.198 0.000 1.192 329 F HN 0.024 nan 8.300 nan 0.000 0.476 330 F N 1.398 121.066 119.950 -0.470 0.000 2.518 330 F HA 0.735 5.266 4.527 0.005 0.000 0.323 330 F C -0.104 175.283 175.800 -0.689 0.000 1.129 330 F CA -0.896 56.793 58.000 -0.518 0.000 0.920 330 F CB 1.700 40.348 39.000 -0.587 0.000 1.160 330 F HN 0.549 nan 8.300 nan 0.000 0.440 331 A N 3.947 126.563 122.820 -0.341 0.000 2.401 331 A HA 0.912 5.235 4.320 0.005 0.000 0.310 331 A C -1.446 176.054 177.584 -0.141 0.000 1.075 331 A CA -0.724 51.069 52.037 -0.407 0.000 0.746 331 A CB 1.349 19.724 19.000 -1.042 0.000 1.277 331 A HN 0.767 nan 8.150 nan 0.000 0.425 332 L N 1.552 122.737 121.223 -0.062 0.000 2.307 332 L HA 0.372 4.715 4.340 0.005 0.000 0.284 332 L C -0.548 176.398 176.870 0.126 0.000 1.023 332 L CA -0.301 54.517 54.840 -0.037 0.000 0.810 332 L CB 1.551 43.530 42.059 -0.133 0.000 1.231 332 L HN 0.828 nan 8.230 nan 0.000 0.423 333 W N 6.525 127.772 121.300 -0.087 0.000 2.289 333 W HA 0.472 5.134 4.660 0.005 0.000 0.342 333 W C -1.190 175.267 176.519 -0.104 0.000 0.958 333 W CA -0.640 56.687 57.345 -0.030 0.000 1.492 333 W CB 0.862 30.332 29.460 0.017 0.000 1.336 333 W HN 0.403 nan 8.180 nan 0.000 0.371 334 I N 8.478 128.912 120.570 -0.227 0.000 2.315 334 I HA 0.222 4.395 4.170 0.005 0.000 0.291 334 I C -1.797 174.223 176.117 -0.162 0.000 1.006 334 I CA -2.202 58.997 61.300 -0.169 0.000 1.265 334 I CB 1.273 39.234 38.000 -0.066 0.000 1.387 334 I HN 0.108 nan 8.210 nan 0.000 0.475 335 P HA 0.129 nan 4.420 nan 0.000 0.274 335 P C -0.146 177.129 177.300 -0.041 0.000 1.237 335 P CA -0.260 62.739 63.100 -0.169 0.000 0.793 335 P CB 1.010 32.476 31.700 -0.389 0.000 0.977 336 D N 0.420 120.858 120.400 0.063 0.000 2.117 336 D HA -0.117 4.526 4.640 0.005 0.000 0.198 336 D C 1.764 178.093 176.300 0.049 0.000 0.982 336 D CA 1.091 55.184 54.000 0.155 0.000 0.828 336 D CB -0.417 40.594 40.800 0.353 0.000 0.967 336 D HN 0.183 nan 8.370 nan 0.000 0.464 337 L N 0.378 121.705 121.223 0.174 0.000 2.081 337 L HA -0.172 4.171 4.340 0.005 0.000 0.212 337 L C 2.054 178.968 176.870 0.073 0.000 1.080 337 L CA 1.284 56.259 54.840 0.225 0.000 0.754 337 L CB -0.650 41.673 42.059 0.440 0.000 0.893 337 L HN -0.047 nan 8.230 nan 0.000 0.433 338 F N -0.706 119.099 119.950 -0.242 0.000 2.075 338 F HA -0.247 4.283 4.527 0.005 0.000 0.297 338 F C 2.252 177.729 175.800 -0.539 0.000 1.113 338 F CA 1.740 59.321 58.000 -0.699 0.000 1.218 338 F CB -0.319 38.161 39.000 -0.868 0.000 0.984 338 F HN 0.037 nan 8.300 nan 0.000 0.472 339 M N 0.303 119.371 119.600 -0.887 0.000 2.086 339 M HA -0.195 4.288 4.480 0.005 0.000 0.261 339 M C 2.180 178.102 176.300 -0.629 0.000 1.067 339 M CA 1.559 56.175 55.300 -1.140 0.000 1.116 339 M CB -1.364 29.976 32.600 -2.098 0.000 1.348 339 M HN 0.087 nan 8.290 nan 0.000 0.407 340 K N 0.293 120.458 120.400 -0.391 0.000 2.052 340 K HA -0.169 4.154 4.320 0.005 0.000 0.215 340 K C 2.097 178.644 176.600 -0.088 0.000 1.053 340 K CA 1.661 57.919 56.287 -0.049 0.000 0.934 340 K CB -0.101 32.447 32.500 0.080 0.000 0.717 340 K HN 0.186 nan 8.250 nan 0.000 0.450 341 R N -0.217 120.205 120.500 -0.129 0.000 2.148 341 R HA -0.039 4.304 4.340 0.005 0.000 0.227 341 R C 2.227 178.427 176.300 -0.166 0.000 1.103 341 R CA 0.989 57.062 56.100 -0.046 0.000 0.983 341 R CB -0.352 30.031 30.300 0.139 0.000 0.874 341 R HN 0.126 nan 8.270 nan 0.000 0.451 342 V N 0.921 120.593 119.914 -0.403 0.000 2.346 342 V HA -0.172 3.951 4.120 0.005 0.000 0.244 342 V C 2.336 178.221 176.094 -0.348 0.000 1.037 342 V CA 1.494 63.536 62.300 -0.429 0.000 1.029 342 V CB -0.368 31.002 31.823 -0.755 0.000 0.663 342 V HN 0.312 nan 8.190 nan 0.000 0.454 343 E N 0.413 120.408 120.200 -0.341 0.000 2.085 343 E HA -0.242 4.111 4.350 0.005 0.000 0.194 343 E C 2.046 178.520 176.600 -0.210 0.000 0.994 343 E CA 1.955 58.125 56.400 -0.384 0.000 0.801 343 E CB -0.072 29.480 29.700 -0.246 0.000 0.743 343 E HN 0.766 nan 8.360 nan 0.000 0.453 344 T N -1.641 112.843 114.554 -0.117 0.000 3.129 344 T HA 0.021 4.374 4.350 0.005 0.000 0.251 344 T C 0.759 175.441 174.700 -0.030 0.000 1.117 344 T CA 0.412 62.480 62.100 -0.054 0.000 1.034 344 T CB 0.062 68.925 68.868 -0.008 0.000 0.968 344 T HN 0.138 nan 8.240 nan 0.000 0.526 345 N N 1.086 119.760 118.700 -0.043 0.000 2.741 345 N HA -0.173 4.570 4.740 0.005 0.000 0.250 345 N C -0.405 175.137 175.510 0.054 0.000 1.115 345 N CA 0.562 53.616 53.050 0.008 0.000 0.724 345 N CB -1.538 36.955 38.487 0.010 0.000 1.090 345 N HN 0.760 nan 8.380 nan 0.000 0.558 346 Q N -0.106 119.736 119.800 0.069 0.000 2.382 346 Q HA 0.208 4.551 4.340 0.005 0.000 0.229 346 Q C -0.241 175.876 176.000 0.196 0.000 1.006 346 Q CA -0.418 55.458 55.803 0.121 0.000 0.916 346 Q CB 0.549 29.368 28.738 0.134 0.000 1.235 346 Q HN 0.209 nan 8.270 nan 0.000 0.512 347 D N 0.364 120.892 120.400 0.213 0.000 2.382 347 D HA 0.063 4.706 4.640 0.005 0.000 0.240 347 D C -1.195 175.373 176.300 0.447 0.000 1.146 347 D CA 0.321 54.485 54.000 0.274 0.000 0.897 347 D CB 0.539 41.452 40.800 0.189 0.000 1.197 347 D HN 0.387 nan 8.370 nan 0.000 0.432 348 W N 1.225 122.672 121.300 0.246 0.000 2.683 348 W HA 0.267 4.930 4.660 0.005 0.000 0.329 348 W C -1.117 175.596 176.519 0.322 0.000 1.037 348 W CA -0.668 56.877 57.345 0.334 0.000 1.232 348 W CB 1.480 31.178 29.460 0.396 0.000 1.390 348 W HN 0.089 nan 8.180 nan 0.000 0.465 349 S N 5.418 120.935 115.700 -0.306 0.000 2.499 349 S HA 0.481 4.954 4.470 0.005 0.000 0.279 349 S C -0.217 174.195 174.600 -0.314 0.000 1.219 349 S CA -0.522 57.519 58.200 -0.265 0.000 1.062 349 S CB 1.030 64.035 63.200 -0.325 0.000 0.978 349 S HN 0.363 nan 8.310 nan 0.000 0.489 350 L N 4.344 125.528 121.223 -0.065 0.000 2.282 350 L HA 0.535 4.878 4.340 0.005 0.000 0.288 350 L C -0.209 176.691 176.870 0.051 0.000 1.033 350 L CA -0.188 54.692 54.840 0.066 0.000 0.807 350 L CB 0.888 43.043 42.059 0.160 0.000 1.209 350 L HN 0.465 nan 8.230 nan 0.000 0.423 351 M N 2.708 122.386 119.600 0.130 0.000 2.662 351 M HA 0.415 4.898 4.480 0.005 0.000 0.310 351 M C -0.743 175.581 176.300 0.039 0.000 1.204 351 M CA -0.513 54.817 55.300 0.050 0.000 0.891 351 M CB 2.532 35.122 32.600 -0.017 0.000 1.732 351 M HN 0.582 nan 8.290 nan 0.000 0.467 352 C N 3.330 122.603 119.300 -0.045 0.000 2.319 352 C HA 0.517 4.980 4.460 0.005 0.000 0.335 352 C C -1.209 173.771 174.990 -0.016 0.000 1.274 352 C CA -1.717 57.258 59.018 -0.073 0.000 1.806 352 C CB 0.838 28.544 27.740 -0.057 0.000 2.329 352 C HN 0.705 nan 8.230 nan 0.000 0.524 353 P HA -0.102 nan 4.420 nan 0.000 0.223 353 P C 0.925 178.254 177.300 0.048 0.000 1.151 353 P CA 1.456 64.644 63.100 0.147 0.000 0.787 353 P CB 0.107 32.005 31.700 0.331 0.000 0.788 354 N N 0.752 119.467 118.700 0.025 0.000 2.135 354 N HA -0.151 4.592 4.740 0.005 0.000 0.186 354 N C 1.939 177.414 175.510 -0.058 0.000 1.027 354 N CA 1.173 54.224 53.050 0.001 0.000 0.849 354 N CB -0.577 37.921 38.487 0.018 0.000 1.002 354 N HN 0.103 nan 8.380 nan 0.000 0.425 355 E N -1.195 118.950 120.200 -0.091 0.000 2.153 355 E HA -0.042 4.311 4.350 0.005 0.000 0.194 355 E C -0.320 176.074 176.600 -0.344 0.000 0.988 355 E CA 0.725 57.025 56.400 -0.168 0.000 0.811 355 E CB 0.113 29.724 29.700 -0.150 0.000 0.746 355 E HN 0.304 nan 8.360 nan 0.000 0.466 356 C N 2.701 121.776 119.300 -0.375 0.000 3.414 356 C HA 0.396 4.859 4.460 0.005 0.000 0.208 356 C C -2.486 172.351 174.990 -0.255 0.000 1.422 356 C CA -1.537 57.051 59.018 -0.717 0.000 1.437 356 C CB 0.013 27.355 27.740 -0.663 0.000 1.850 356 C HN 0.285 nan 8.230 nan 0.000 0.481 357 P HA 0.279 nan 4.420 nan 0.000 0.268 357 P C 0.823 178.229 177.300 0.176 0.000 1.205 357 P CA 1.364 64.504 63.100 0.067 0.000 0.771 357 P CB 0.779 32.514 31.700 0.059 0.000 0.858 358 G N 1.936 110.833 108.800 0.162 0.000 2.141 358 G HA2 -0.253 3.710 3.960 0.005 0.000 0.231 358 G HA3 -0.253 3.710 3.960 0.005 0.000 0.231 358 G C 0.748 175.753 174.900 0.176 0.000 0.984 358 G CA 0.156 45.356 45.100 0.167 0.000 0.660 358 G HN 0.467 nan 8.290 nan 0.000 0.525 359 L N 0.904 122.216 121.223 0.150 0.000 2.141 359 L HA 0.027 4.370 4.340 0.005 0.000 0.209 359 L C 2.643 179.783 176.870 0.449 0.000 1.094 359 L CA 1.727 56.671 54.840 0.172 0.000 0.763 359 L CB -0.313 41.536 42.059 -0.350 0.000 0.908 359 L HN 0.473 nan 8.230 nan 0.000 0.437 360 D N -0.517 120.183 120.400 0.500 0.000 2.347 360 D HA -0.175 4.468 4.640 0.005 0.000 0.215 360 D C 1.261 177.782 176.300 0.368 0.000 0.976 360 D CA 0.667 54.963 54.000 0.494 0.000 0.884 360 D CB -0.081 40.985 40.800 0.445 0.000 0.915 360 D HN 0.369 nan 8.370 nan 0.000 0.526 361 E N -0.070 120.315 120.200 0.308 0.000 2.465 361 E HA 0.182 4.535 4.350 0.005 0.000 0.195 361 E C -0.103 176.652 176.600 0.260 0.000 1.028 361 E CA -0.271 56.287 56.400 0.263 0.000 0.899 361 E CB 1.000 30.821 29.700 0.202 0.000 1.032 361 E HN 0.255 nan 8.360 nan 0.000 0.468 362 V N -2.293 117.797 119.914 0.295 0.000 3.130 362 V HA 0.667 4.790 4.120 0.005 0.000 0.310 362 V C -1.104 175.207 176.094 0.362 0.000 1.158 362 V CA -1.220 61.223 62.300 0.238 0.000 1.029 362 V CB 1.594 33.482 31.823 0.109 0.000 1.057 362 V HN 0.209 nan 8.190 nan 0.000 0.436 363 W N 0.238 121.641 121.300 0.171 0.000 3.062 363 W HA 0.795 5.457 4.660 0.004 0.000 0.336 363 W C 0.321 176.924 176.519 0.141 0.000 1.224 363 W CA -0.642 56.778 57.345 0.125 0.000 1.159 363 W CB 0.571 30.056 29.460 0.042 0.000 1.454 363 W HN 1.607 nan 8.180 nan 0.000 0.569 364 G N 1.636 110.626 108.800 0.317 0.000 2.582 364 G HA2 -0.412 3.551 3.960 0.005 0.000 0.288 364 G HA3 -0.412 3.551 3.960 0.005 0.000 0.288 364 G C 0.710 175.629 174.900 0.031 0.000 1.247 364 G CA 1.073 46.264 45.100 0.152 0.000 0.972 364 G HN 0.749 nan 8.290 nan 0.000 0.557 365 E N -0.139 120.005 120.200 -0.094 0.000 2.147 365 E HA -0.182 4.171 4.350 0.005 0.000 0.199 365 E C 2.345 178.878 176.600 -0.112 0.000 1.005 365 E CA 1.628 57.980 56.400 -0.081 0.000 0.810 365 E CB -0.105 29.526 29.700 -0.115 0.000 0.736 365 E HN 0.613 nan 8.360 nan 0.000 0.460 366 E N -0.414 119.664 120.200 -0.204 0.000 2.106 366 E HA -0.177 4.176 4.350 0.005 0.000 0.192 366 E C 1.738 178.287 176.600 -0.085 0.000 0.984 366 E CA 0.668 56.963 56.400 -0.175 0.000 0.806 366 E CB -0.055 29.492 29.700 -0.254 0.000 0.750 366 E HN 0.227 nan 8.360 nan 0.000 0.458 367 F N 1.842 121.719 119.950 -0.121 0.000 2.084 367 F HA -0.133 4.397 4.527 0.005 0.000 0.296 367 F C 1.908 177.696 175.800 -0.021 0.000 1.111 367 F CA 1.718 59.696 58.000 -0.037 0.000 1.224 367 F CB -0.192 38.841 39.000 0.054 0.000 0.991 367 F HN -0.064 nan 8.300 nan 0.000 0.471 368 E N 0.193 120.347 120.200 -0.078 0.000 2.130 368 E HA -0.272 4.081 4.350 0.005 0.000 0.196 368 E C 2.109 178.595 176.600 -0.190 0.000 0.998 368 E CA 1.664 57.989 56.400 -0.124 0.000 0.806 368 E CB -0.146 29.604 29.700 0.083 0.000 0.738 368 E HN 0.370 nan 8.360 nan 0.000 0.459 369 K N 0.177 120.465 120.400 -0.187 0.000 2.007 369 K HA -0.124 4.199 4.320 0.005 0.000 0.206 369 K C 2.003 178.423 176.600 -0.299 0.000 1.047 369 K CA 0.734 56.906 56.287 -0.192 0.000 0.937 369 K CB -0.119 32.284 32.500 -0.161 0.000 0.718 369 K HN 0.013 nan 8.250 nan 0.000 0.438 370 L N 0.141 121.130 121.223 -0.390 0.000 2.027 370 L HA -0.142 4.201 4.340 0.005 0.000 0.206 370 L C 2.049 178.462 176.870 -0.763 0.000 1.074 370 L CA 1.673 56.155 54.840 -0.597 0.000 0.745 370 L CB -0.787 40.944 42.059 -0.546 0.000 0.898 370 L HN 0.274 nan 8.230 nan 0.000 0.433 371 Y N 0.399 120.193 120.300 -0.844 0.000 2.081 371 Y HA -0.299 4.254 4.550 0.005 0.000 0.280 371 Y C 2.399 178.041 175.900 -0.430 0.000 1.163 371 Y CA 2.145 59.807 58.100 -0.729 0.000 1.135 371 Y CB -0.718 37.163 38.460 -0.965 0.000 0.970 371 Y HN 0.266 nan 8.280 nan 0.000 0.498 372 A N -0.583 122.061 122.820 -0.294 0.000 1.930 372 A HA -0.176 4.147 4.320 0.005 0.000 0.217 372 A C 2.501 179.939 177.584 -0.243 0.000 1.175 372 A CA 2.106 54.002 52.037 -0.234 0.000 0.627 372 A CB -1.395 17.547 19.000 -0.096 0.000 0.815 372 A HN 0.612 nan 8.150 nan 0.000 0.443 373 S N -1.004 114.538 115.700 -0.264 0.000 2.368 373 S HA -0.232 4.241 4.470 0.005 0.000 0.225 373 S C 1.956 176.480 174.600 -0.126 0.000 1.030 373 S CA 1.447 59.528 58.200 -0.199 0.000 0.999 373 S CB -0.999 62.063 63.200 -0.230 0.000 0.844 373 S HN 0.656 nan 8.310 nan 0.000 0.459 374 Y N 1.926 122.064 120.300 -0.271 0.000 2.165 374 Y HA -0.163 4.390 4.550 0.005 0.000 0.286 374 Y C 2.923 178.639 175.900 -0.307 0.000 1.155 374 Y CA 1.404 59.331 58.100 -0.289 0.000 1.164 374 Y CB -0.270 37.981 38.460 -0.349 0.000 0.978 374 Y HN 0.432 nan 8.280 nan 0.000 0.513 375 E N 0.446 120.498 120.200 -0.247 0.000 2.072 375 E HA -0.191 4.162 4.350 0.005 0.000 0.191 375 E C 1.960 178.475 176.600 -0.143 0.000 0.985 375 E CA 1.029 57.278 56.400 -0.253 0.000 0.801 375 E CB -0.139 29.366 29.700 -0.325 0.000 0.750 375 E HN 0.432 nan 8.360 nan 0.000 0.452 376 K N 0.633 120.960 120.400 -0.122 0.000 2.280 376 K HA -0.141 4.182 4.320 0.005 0.000 0.202 376 K C 1.839 178.402 176.600 -0.060 0.000 1.047 376 K CA 0.923 57.162 56.287 -0.079 0.000 0.942 376 K CB 0.037 32.493 32.500 -0.072 0.000 0.739 376 K HN 0.135 nan 8.250 nan 0.000 0.457 377 Q N -0.632 119.135 119.800 -0.054 0.000 2.403 377 Q HA 0.064 4.407 4.340 0.005 0.000 0.203 377 Q C 0.703 176.669 176.000 -0.057 0.000 0.932 377 Q CA 0.349 56.128 55.803 -0.040 0.000 0.945 377 Q CB 0.791 29.526 28.738 -0.005 0.000 1.045 377 Q HN 0.482 nan 8.270 nan 0.000 0.511 378 G N 1.956 110.713 108.800 -0.073 0.000 2.166 378 G HA2 -0.329 3.634 3.960 0.005 0.000 0.260 378 G HA3 -0.329 3.634 3.960 0.005 0.000 0.260 378 G C 0.156 174.996 174.900 -0.098 0.000 0.986 378 G CA -0.030 45.024 45.100 -0.077 0.000 0.683 378 G HN 0.284 nan 8.290 nan 0.000 0.527 379 R N -0.087 120.336 120.500 -0.128 0.000 4.138 379 R HA 0.418 4.761 4.340 0.005 0.000 0.206 379 R C -0.519 175.669 176.300 -0.187 0.000 1.667 379 R CA -0.008 55.982 56.100 -0.184 0.000 1.481 379 R CB 0.553 30.671 30.300 -0.303 0.000 1.388 379 R HN 0.179 nan 8.270 nan 0.000 0.776 380 V N 1.908 121.742 119.914 -0.134 0.000 2.711 380 V HA 0.221 4.344 4.120 0.005 0.000 0.304 380 V C 0.527 176.580 176.094 -0.068 0.000 1.097 380 V CA -0.741 61.488 62.300 -0.117 0.000 0.906 380 V CB 2.313 34.062 31.823 -0.122 0.000 1.015 380 V HN 0.504 nan 8.190 nan 0.000 0.427 381 R N 2.120 122.595 120.500 -0.042 0.000 2.206 381 R HA 0.315 4.658 4.340 0.005 0.000 0.198 381 R C 0.420 176.728 176.300 0.013 0.000 0.986 381 R CA 0.272 56.365 56.100 -0.012 0.000 1.029 381 R CB 0.521 30.820 30.300 -0.000 0.000 0.966 381 R HN 0.567 nan 8.270 nan 0.000 0.487 382 K N 0.429 120.846 120.400 0.028 0.000 2.557 382 K HA 0.267 4.590 4.320 0.005 0.000 0.257 382 K C -1.594 175.048 176.600 0.069 0.000 0.933 382 K CA -0.361 55.961 56.287 0.058 0.000 0.820 382 K CB 2.424 34.982 32.500 0.098 0.000 1.330 382 K HN -0.246 nan 8.250 nan 0.000 0.432 383 V N 4.082 124.040 119.914 0.074 0.000 2.398 383 V HA 0.511 4.634 4.120 0.005 0.000 0.286 383 V C -0.322 175.870 176.094 0.162 0.000 1.026 383 V CA -0.652 61.710 62.300 0.104 0.000 0.868 383 V CB 1.475 33.341 31.823 0.072 0.000 0.982 383 V HN 0.520 nan 8.190 nan 0.000 0.443 384 V N 3.850 123.919 119.914 0.258 0.000 3.074 384 V HA 0.472 4.595 4.120 0.005 0.000 0.314 384 V C -0.147 176.152 176.094 0.342 0.000 1.117 384 V CA -1.421 61.057 62.300 0.298 0.000 1.014 384 V CB 2.405 34.481 31.823 0.422 0.000 1.057 384 V HN 0.781 nan 8.190 nan 0.000 0.438 385 K N 1.133 121.709 120.400 0.293 0.000 2.350 385 K HA 0.397 4.720 4.320 0.005 0.000 0.279 385 K C 1.177 178.002 176.600 0.375 0.000 1.027 385 K CA 0.419 56.877 56.287 0.285 0.000 0.969 385 K CB 1.020 33.642 32.500 0.203 0.000 0.954 385 K HN 0.809 nan 8.250 nan 0.000 0.474 386 A N 3.514 126.549 122.820 0.358 0.000 1.940 386 A HA -0.241 4.082 4.320 0.005 0.000 0.219 386 A C 1.826 179.589 177.584 0.298 0.000 1.176 386 A CA 1.462 53.693 52.037 0.324 0.000 0.631 386 A CB -0.340 18.729 19.000 0.115 0.000 0.814 386 A HN 0.859 nan 8.150 nan 0.000 0.446 387 Q N -0.767 119.187 119.800 0.256 0.000 2.291 387 Q HA -0.202 4.141 4.340 0.005 0.000 0.205 387 Q C 2.154 178.430 176.000 0.460 0.000 0.970 387 Q CA 1.359 57.367 55.803 0.342 0.000 0.876 387 Q CB -0.174 28.716 28.738 0.253 0.000 0.935 387 Q HN 0.800 nan 8.270 nan 0.000 0.455 388 Q N 0.196 120.237 119.800 0.403 0.000 2.046 388 Q HA -0.142 4.201 4.340 0.005 0.000 0.200 388 Q C 2.073 178.432 176.000 0.599 0.000 0.975 388 Q CA 0.840 56.903 55.803 0.433 0.000 0.836 388 Q CB -0.092 28.854 28.738 0.347 0.000 0.896 388 Q HN 0.225 nan 8.270 nan 0.000 0.428 389 L N 0.492 122.053 121.223 0.564 0.000 2.046 389 L HA -0.152 4.191 4.340 0.005 0.000 0.208 389 L C 1.844 178.911 176.870 0.329 0.000 1.077 389 L CA 1.723 56.727 54.840 0.273 0.000 0.747 389 L CB -0.839 41.312 42.059 0.152 0.000 0.896 389 L HN 0.444 nan 8.230 nan 0.000 0.432 390 W N -0.830 120.642 121.300 0.286 0.000 2.338 390 W HA -0.340 4.323 4.660 0.005 0.000 0.304 390 W C 2.439 179.109 176.519 0.251 0.000 1.212 390 W CA 1.926 59.407 57.345 0.226 0.000 1.264 390 W CB -0.518 29.046 29.460 0.175 0.000 1.142 390 W HN 0.375 nan 8.180 nan 0.000 0.512 391 Y N 1.166 121.684 120.300 0.363 0.000 2.293 391 Y HA -0.127 4.426 4.550 0.005 0.000 0.291 391 Y C 2.486 178.472 175.900 0.143 0.000 1.137 391 Y CA 2.552 60.842 58.100 0.317 0.000 1.202 391 Y CB -0.576 38.108 38.460 0.374 0.000 0.990 391 Y HN -0.068 nan 8.280 nan 0.000 0.537 392 A N 0.106 123.152 122.820 0.376 0.000 1.968 392 A HA -0.080 4.243 4.320 0.005 0.000 0.217 392 A C 2.132 179.705 177.584 -0.018 0.000 1.169 392 A CA 1.422 53.606 52.037 0.245 0.000 0.638 392 A CB -0.866 18.341 19.000 0.346 0.000 0.812 392 A HN 0.569 nan 8.150 nan 0.000 0.446 393 I N -0.480 119.996 120.570 -0.157 0.000 2.179 393 I HA -0.240 3.933 4.170 0.005 0.000 0.242 393 I C 2.277 178.189 176.117 -0.341 0.000 1.088 393 I CA 1.325 62.440 61.300 -0.309 0.000 1.357 393 I CB -0.280 37.423 38.000 -0.496 0.000 1.051 393 I HN 0.284 nan 8.210 nan 0.000 0.409 394 I N 0.371 120.684 120.570 -0.429 0.000 2.286 394 I HA -0.240 3.933 4.170 0.005 0.000 0.245 394 I C 2.554 178.542 176.117 -0.215 0.000 1.104 394 I CA 1.027 62.108 61.300 -0.365 0.000 1.397 394 I CB -0.198 37.510 38.000 -0.487 0.000 1.072 394 I HN 0.185 nan 8.210 nan 0.000 0.417 395 E N 0.732 120.815 120.200 -0.196 0.000 2.086 395 E HA -0.283 4.070 4.350 0.005 0.000 0.200 395 E C 2.268 178.826 176.600 -0.069 0.000 1.012 395 E CA 2.037 58.379 56.400 -0.096 0.000 0.812 395 E CB -0.212 29.498 29.700 0.017 0.000 0.743 395 E HN 0.242 nan 8.360 nan 0.000 0.453 396 S N -0.888 114.759 115.700 -0.088 0.000 2.382 396 S HA -0.186 4.287 4.470 0.005 0.000 0.228 396 S C 1.887 176.431 174.600 -0.094 0.000 1.027 396 S CA 1.458 59.596 58.200 -0.103 0.000 0.991 396 S CB -0.178 62.933 63.200 -0.147 0.000 0.823 396 S HN 0.341 nan 8.310 nan 0.000 0.469 397 Q N -0.311 119.430 119.800 -0.098 0.000 2.119 397 Q HA -0.055 4.288 4.340 0.005 0.000 0.201 397 Q C 2.227 178.215 176.000 -0.021 0.000 0.972 397 Q CA 1.782 57.553 55.803 -0.053 0.000 0.847 397 Q CB -0.330 28.381 28.738 -0.045 0.000 0.903 397 Q HN 0.492 nan 8.270 nan 0.000 0.433 398 T N 1.163 115.697 114.554 -0.033 0.000 2.821 398 T HA -0.117 4.236 4.350 0.005 0.000 0.267 398 T C 1.491 176.189 174.700 -0.004 0.000 1.046 398 T CA 1.122 63.215 62.100 -0.012 0.000 1.139 398 T CB -0.063 68.794 68.868 -0.019 0.000 0.871 398 T HN 0.309 nan 8.240 nan 0.000 0.454 399 E N 1.070 121.261 120.200 -0.015 0.000 2.046 399 E HA -0.080 4.273 4.350 0.005 0.000 0.190 399 E C 2.325 178.923 176.600 -0.002 0.000 0.982 399 E CA 1.708 58.102 56.400 -0.011 0.000 0.800 399 E CB -0.282 29.404 29.700 -0.024 0.000 0.756 399 E HN 0.639 nan 8.360 nan 0.000 0.449 400 T N -3.495 111.056 114.554 -0.004 0.000 3.043 400 T HA 0.347 4.700 4.350 0.005 0.000 0.272 400 T C 1.430 176.176 174.700 0.076 0.000 0.990 400 T CA 0.603 62.715 62.100 0.020 0.000 0.897 400 T CB 0.747 69.605 68.868 -0.017 0.000 1.111 400 T HN 0.265 nan 8.240 nan 0.000 0.529 401 G N 1.733 110.575 108.800 0.069 0.000 2.186 401 G HA2 -0.257 3.706 3.960 0.005 0.000 0.266 401 G HA3 -0.257 3.706 3.960 0.005 0.000 0.266 401 G C 0.304 175.252 174.900 0.080 0.000 0.982 401 G CA 1.130 46.298 45.100 0.114 0.000 0.670 401 G HN 1.438 nan 8.290 nan 0.000 0.533 402 T N -2.597 111.957 114.554 0.000 0.000 2.901 402 T HA 0.807 5.160 4.350 0.005 0.000 0.293 402 T C -3.042 171.577 174.700 -0.135 0.000 1.084 402 T CA -1.375 60.667 62.100 -0.095 0.000 1.008 402 T CB 3.802 72.584 68.868 -0.142 0.000 1.170 402 T HN 0.063 nan 8.240 nan 0.000 0.509 403 P HA 0.280 nan 4.420 nan 0.000 0.276 403 P C -0.722 176.513 177.300 -0.108 0.000 1.252 403 P CA -0.495 62.474 63.100 -0.218 0.000 0.802 403 P CB 0.332 31.953 31.700 -0.131 0.000 1.035 404 Y N -0.204 120.011 120.300 -0.142 0.000 2.457 404 Y HA 0.189 4.742 4.550 0.005 0.000 0.341 404 Y C 1.164 176.992 175.900 -0.121 0.000 1.240 404 Y CA -0.267 57.762 58.100 -0.118 0.000 1.437 404 Y CB -0.163 38.250 38.460 -0.079 0.000 1.328 404 Y HN 0.137 nan 8.280 nan 0.000 0.588 405 M N 4.187 123.816 119.600 0.049 0.000 2.078 405 M HA 0.322 4.805 4.480 0.005 0.000 0.320 405 M C -1.522 174.604 176.300 -0.290 0.000 0.969 405 M CA -0.700 54.495 55.300 -0.176 0.000 0.929 405 M CB 0.811 33.290 32.600 -0.202 0.000 1.504 405 M HN 0.435 nan 8.290 nan 0.000 0.419 406 L N 3.401 124.446 121.223 -0.296 0.000 2.346 406 L HA 0.486 4.829 4.340 0.005 0.000 0.276 406 L C -0.897 175.597 176.870 -0.627 0.000 1.006 406 L CA -0.289 54.371 54.840 -0.300 0.000 0.817 406 L CB 1.512 43.690 42.059 0.198 0.000 1.272 406 L HN 0.438 nan 8.230 nan 0.000 0.421 407 Y N 2.565 122.780 120.300 -0.141 0.000 2.535 407 Y HA 0.174 4.727 4.550 0.005 0.000 0.349 407 Y C 1.327 176.953 175.900 -0.455 0.000 0.992 407 Y CA -0.306 57.672 58.100 -0.203 0.000 1.248 407 Y CB 1.004 39.478 38.460 0.022 0.000 1.124 407 Y HN 0.632 nan 8.280 nan 0.000 0.520 408 K N 1.749 121.791 120.400 -0.598 0.000 2.044 408 K HA -0.233 4.090 4.320 0.005 0.000 0.210 408 K C 0.817 177.094 176.600 -0.537 0.000 1.049 408 K CA 2.256 57.911 56.287 -1.054 0.000 0.927 408 K CB 0.129 32.038 32.500 -0.985 0.000 0.713 408 K HN 0.682 nan 8.250 nan 0.000 0.443 409 D N 0.068 120.332 120.400 -0.226 0.000 2.117 409 D HA -0.082 4.561 4.640 0.005 0.000 0.198 409 D C 2.017 178.193 176.300 -0.207 0.000 0.982 409 D CA 1.239 55.202 54.000 -0.061 0.000 0.828 409 D CB -0.193 40.695 40.800 0.146 0.000 0.967 409 D HN 0.196 nan 8.370 nan 0.000 0.464 410 S N 0.149 115.748 115.700 -0.168 0.000 2.399 410 S HA -0.134 4.339 4.470 0.005 0.000 0.231 410 S C 2.268 176.679 174.600 -0.315 0.000 1.022 410 S CA 0.456 58.500 58.200 -0.260 0.000 0.983 410 S CB -0.397 62.688 63.200 -0.193 0.000 0.803 410 S HN 0.344 nan 8.310 nan 0.000 0.480 411 C N 2.086 121.201 119.300 -0.309 0.000 2.446 411 C HA 0.017 4.480 4.460 0.005 0.000 0.277 411 C C 2.657 177.458 174.990 -0.315 0.000 1.275 411 C CA 0.434 59.298 59.018 -0.257 0.000 1.727 411 C CB -1.329 26.249 27.740 -0.270 0.000 2.010 411 C HN 0.614 nan 8.230 nan 0.000 0.486 412 N N -0.085 118.300 118.700 -0.525 0.000 2.290 412 N HA -0.041 4.702 4.740 0.005 0.000 0.179 412 N C 1.978 176.846 175.510 -1.070 0.000 1.016 412 N CA 0.485 53.040 53.050 -0.825 0.000 0.871 412 N CB -0.397 37.300 38.487 -1.316 0.000 0.987 412 N HN 0.518 nan 8.380 nan 0.000 0.431 413 R N 1.539 121.372 120.500 -1.112 0.000 2.105 413 R HA -0.033 4.310 4.340 0.005 0.000 0.239 413 R C 0.439 176.505 176.300 -0.390 0.000 1.135 413 R CA 1.330 56.987 56.100 -0.738 0.000 0.967 413 R CB 0.188 30.266 30.300 -0.370 0.000 0.861 413 R HN 0.063 nan 8.270 nan 0.000 0.442 414 K N -0.153 120.028 120.400 -0.365 0.000 2.861 414 K HA 0.140 4.463 4.320 0.005 0.000 0.210 414 K C -0.716 175.793 176.600 -0.152 0.000 1.112 414 K CA -0.185 55.950 56.287 -0.252 0.000 1.076 414 K CB 1.409 33.691 32.500 -0.363 0.000 0.853 414 K HN -0.077 nan 8.250 nan 0.000 0.463 415 S N 0.546 116.148 115.700 -0.164 0.000 2.472 415 S HA 0.171 4.644 4.470 0.005 0.000 0.303 415 S C 0.493 175.058 174.600 -0.057 0.000 1.099 415 S CA -0.649 57.494 58.200 -0.095 0.000 1.077 415 S CB 1.178 64.312 63.200 -0.110 0.000 1.031 415 S HN 0.300 nan 8.310 nan 0.000 0.487 416 N N 3.171 121.866 118.700 -0.009 0.000 2.515 416 N HA 0.043 4.786 4.740 0.005 0.000 0.185 416 N C 1.096 176.619 175.510 0.022 0.000 1.109 416 N CA 0.871 53.938 53.050 0.029 0.000 0.903 416 N CB 0.085 38.626 38.487 0.090 0.000 0.969 416 N HN 0.688 nan 8.380 nan 0.000 0.450 417 Q N -0.404 119.381 119.800 -0.025 0.000 2.246 417 Q HA 0.002 4.345 4.340 0.005 0.000 0.202 417 Q C 1.209 177.160 176.000 -0.082 0.000 0.883 417 Q CA -0.122 55.639 55.803 -0.070 0.000 0.952 417 Q CB 0.283 28.957 28.738 -0.107 0.000 1.078 417 Q HN 0.682 nan 8.270 nan 0.000 0.493 418 Q N 0.790 120.559 119.800 -0.053 0.000 2.224 418 Q HA -0.172 4.171 4.340 0.005 0.000 0.203 418 Q C 1.315 177.312 176.000 -0.005 0.000 0.970 418 Q CA 1.373 57.161 55.803 -0.025 0.000 0.865 418 Q CB -0.367 28.361 28.738 -0.017 0.000 0.922 418 Q HN 0.306 nan 8.270 nan 0.000 0.445 419 N N 1.515 120.197 118.700 -0.030 0.000 2.513 419 N HA -0.165 4.578 4.740 0.005 0.000 0.187 419 N C 1.350 176.797 175.510 -0.105 0.000 1.056 419 N CA 0.975 54.001 53.050 -0.041 0.000 0.907 419 N CB -0.299 38.167 38.487 -0.035 0.000 0.954 419 N HN 0.412 nan 8.380 nan 0.000 0.445 420 L N -1.039 120.051 121.223 -0.222 0.000 2.529 420 L HA 0.290 4.633 4.340 0.005 0.000 0.223 420 L C 1.133 177.655 176.870 -0.580 0.000 1.113 420 L CA 0.252 54.794 54.840 -0.496 0.000 0.861 420 L CB -0.325 41.214 42.059 -0.868 0.000 1.012 420 L HN 0.392 nan 8.230 nan 0.000 0.461 421 G N -0.531 108.142 108.800 -0.212 0.000 2.479 421 G HA2 -0.155 3.808 3.960 0.005 0.000 0.686 421 G HA3 -0.155 3.808 3.960 0.005 0.000 0.686 421 G C -0.462 174.578 174.900 0.234 0.000 1.295 421 G CA -0.877 44.251 45.100 0.048 0.000 0.922 421 G HN -0.150 nan 8.290 nan 0.000 0.582 422 T N 0.454 115.225 114.554 0.362 0.000 2.930 422 T HA 0.433 4.786 4.350 0.005 0.000 0.306 422 T C 0.945 175.869 174.700 0.374 0.000 1.045 422 T CA 0.455 62.790 62.100 0.392 0.000 1.134 422 T CB 0.476 69.607 68.868 0.438 0.000 0.961 422 T HN 0.531 nan 8.240 nan 0.000 0.545 423 I N 3.100 123.851 120.570 0.302 0.000 2.331 423 I HA 0.235 4.408 4.170 0.005 0.000 0.292 423 I C 1.136 177.411 176.117 0.263 0.000 0.998 423 I CA -0.305 61.137 61.300 0.236 0.000 1.267 423 I CB 1.431 39.560 38.000 0.215 0.000 1.386 423 I HN 0.632 nan 8.210 nan 0.000 0.476 424 K N 4.329 124.660 120.400 -0.116 0.000 2.379 424 K HA 0.168 4.491 4.320 0.005 0.000 0.194 424 K C -0.142 175.662 176.600 -1.325 0.000 1.031 424 K CA 0.303 56.382 56.287 -0.346 0.000 1.037 424 K CB 0.233 32.597 32.500 -0.226 0.000 0.824 424 K HN 0.854 nan 8.250 nan 0.000 0.516 425 C N -4.744 113.615 119.300 -1.569 0.000 3.249 425 C HA 0.571 5.034 4.460 0.005 0.000 0.350 425 C C -0.042 174.044 174.990 -1.506 0.000 1.431 425 C CA -1.332 56.324 59.018 -2.270 0.000 1.209 425 C CB 1.050 27.744 27.740 -1.742 0.000 1.546 425 C HN 0.033 nan 8.230 nan 0.000 0.450 426 S N 0.608 115.447 115.700 -1.435 0.000 2.677 426 S HA 0.715 5.188 4.470 0.005 0.000 0.290 426 S C 0.021 174.344 174.600 -0.463 0.000 1.124 426 S CA -0.094 57.790 58.200 -0.526 0.000 1.017 426 S CB 0.778 64.016 63.200 0.063 0.000 1.215 426 S HN 1.146 nan 8.310 nan 0.000 0.524 427 N N 0.223 118.896 118.700 -0.045 0.000 2.717 427 N HA 0.160 4.903 4.740 0.005 0.000 0.314 427 N C 1.038 176.688 175.510 0.233 0.000 1.324 427 N CA -0.563 52.523 53.050 0.061 0.000 0.902 427 N CB -0.550 37.946 38.487 0.014 0.000 1.126 427 N HN 0.481 nan 8.380 nan 0.000 0.579 428 L N 0.214 121.539 121.223 0.170 0.000 2.012 428 L HA -0.011 4.332 4.340 0.005 0.000 0.210 428 L C 1.524 178.462 176.870 0.114 0.000 1.073 428 L CA 1.802 56.749 54.840 0.179 0.000 0.748 428 L CB -0.553 41.587 42.059 0.134 0.000 0.891 428 L HN 0.714 nan 8.230 nan 0.000 0.431 429 C N -0.184 119.076 119.300 -0.067 0.000 2.884 429 C HA 0.401 4.864 4.460 0.005 0.000 0.287 429 C C 1.347 175.900 174.990 -0.729 0.000 1.310 429 C CA 0.308 59.037 59.018 -0.481 0.000 1.725 429 C CB -1.870 25.647 27.740 -0.372 0.000 2.060 429 C HN 0.792 nan 8.230 nan 0.000 0.618 430 T N -0.841 113.561 114.554 -0.254 0.000 5.377 430 T HA -0.231 4.122 4.350 0.005 0.000 0.273 430 T C 0.650 175.295 174.700 -0.091 0.000 2.061 430 T CA 1.772 63.807 62.100 -0.108 0.000 3.492 430 T CB -1.853 66.905 68.868 -0.185 0.000 1.062 430 T HN 0.747 nan 8.240 nan 0.000 1.051 431 E N 0.287 120.421 120.200 -0.110 0.000 2.465 431 E HA 0.228 4.582 4.350 0.005 0.000 0.209 431 E C 0.519 177.106 176.600 -0.022 0.000 0.951 431 E CA -0.295 56.066 56.400 -0.065 0.000 0.997 431 E CB 0.440 30.088 29.700 -0.087 0.000 1.025 431 E HN 0.669 nan 8.360 nan 0.000 0.500 432 I N 2.636 123.192 120.570 -0.024 0.000 2.342 432 I HA 0.216 4.389 4.170 0.005 0.000 0.291 432 I C -0.182 175.926 176.117 -0.015 0.000 1.010 432 I CA -1.090 60.196 61.300 -0.023 0.000 1.308 432 I CB 1.526 39.500 38.000 -0.044 0.000 1.400 432 I HN -0.163 nan 8.210 nan 0.000 0.488 433 V N 6.745 126.661 119.914 0.003 0.000 2.289 433 V HA 0.403 4.526 4.120 0.005 0.000 0.272 433 V C -0.087 176.007 176.094 -0.001 0.000 1.026 433 V CA -0.567 61.749 62.300 0.027 0.000 0.807 433 V CB 0.688 32.556 31.823 0.075 0.000 1.044 433 V HN 0.707 nan 8.190 nan 0.000 0.443 434 E N 1.981 122.160 120.200 -0.034 0.000 2.317 434 E HA 0.443 4.796 4.350 0.005 0.000 0.270 434 E C -1.423 175.167 176.600 -0.017 0.000 0.885 434 E CA -1.031 55.356 56.400 -0.022 0.000 0.760 434 E CB 2.916 32.597 29.700 -0.030 0.000 1.227 434 E HN 0.558 nan 8.360 nan 0.000 0.434 435 Y N 2.109 122.344 120.300 -0.108 0.000 2.497 435 Y HA 0.136 4.689 4.550 0.005 0.000 0.334 435 Y C -0.034 175.828 175.900 -0.062 0.000 1.199 435 Y CA 0.351 58.397 58.100 -0.090 0.000 1.425 435 Y CB 0.594 38.977 38.460 -0.127 0.000 1.291 435 Y HN 0.503 nan 8.280 nan 0.000 0.562 436 T N 1.768 115.815 114.554 -0.844 0.000 2.883 436 T HA 0.807 5.160 4.350 0.005 0.000 0.296 436 T C -0.653 173.532 174.700 -0.858 0.000 1.117 436 T CA -0.344 61.379 62.100 -0.627 0.000 1.006 436 T CB 1.399 70.056 68.868 -0.352 0.000 1.191 436 T HN 0.959 nan 8.240 nan 0.000 0.508 437 S N 0.100 115.549 115.700 -0.418 0.000 2.661 437 S HA 0.403 4.876 4.470 0.005 0.000 0.268 437 S C 0.818 175.362 174.600 -0.093 0.000 1.162 437 S CA -0.421 57.638 58.200 -0.234 0.000 0.817 437 S CB 1.304 64.453 63.200 -0.084 0.000 1.141 437 S HN 1.172 nan 8.310 nan 0.000 0.477 438 K N 0.254 120.636 120.400 -0.030 0.000 2.209 438 K HA -0.098 4.225 4.320 0.005 0.000 0.204 438 K C 0.421 177.022 176.600 0.002 0.000 1.048 438 K CA 2.214 58.496 56.287 -0.009 0.000 0.940 438 K CB -0.675 31.833 32.500 0.014 0.000 0.729 438 K HN 0.726 nan 8.250 nan 0.000 0.451 439 D N -0.436 119.973 120.400 0.016 0.000 2.513 439 D HA 0.110 4.753 4.640 0.005 0.000 0.222 439 D C -0.740 175.577 176.300 0.029 0.000 1.210 439 D CA -0.493 53.521 54.000 0.023 0.000 0.825 439 D CB 0.354 41.174 40.800 0.034 0.000 1.037 439 D HN 0.221 nan 8.370 nan 0.000 0.506 440 E N 0.284 120.498 120.200 0.022 0.000 2.199 440 E HA 0.471 4.824 4.350 0.005 0.000 0.265 440 E C -1.149 175.445 176.600 -0.011 0.000 0.882 440 E CA -1.080 55.340 56.400 0.033 0.000 0.759 440 E CB 2.961 32.735 29.700 0.122 0.000 1.148 440 E HN -0.086 nan 8.360 nan 0.000 0.412 441 V N 2.543 122.468 119.914 0.018 0.000 2.334 441 V HA 0.371 4.494 4.120 0.005 0.000 0.281 441 V C 0.232 176.366 176.094 0.065 0.000 1.016 441 V CA -0.702 61.620 62.300 0.038 0.000 0.832 441 V CB 1.172 33.050 31.823 0.092 0.000 0.999 441 V HN 0.808 nan 8.190 nan 0.000 0.439 442 A N 5.276 128.110 122.820 0.023 0.000 2.483 442 A HA 0.623 4.946 4.320 0.005 0.000 0.238 442 A C -0.246 177.340 177.584 0.003 0.000 1.070 442 A CA 0.012 52.058 52.037 0.016 0.000 0.770 442 A CB 0.443 19.424 19.000 -0.033 0.000 1.008 442 A HN 0.770 nan 8.150 nan 0.000 0.497 443 V N 1.000 120.880 119.914 -0.055 0.000 2.760 443 V HA 0.500 4.623 4.120 0.005 0.000 0.309 443 V C -0.537 175.457 176.094 -0.167 0.000 1.077 443 V CA -0.644 61.518 62.300 -0.230 0.000 0.910 443 V CB 1.626 33.389 31.823 -0.099 0.000 1.008 443 V HN 1.093 nan 8.190 nan 0.000 0.424 444 C N 4.237 123.397 119.300 -0.233 0.000 2.482 444 C HA 0.569 5.032 4.460 0.005 0.000 0.317 444 C C -0.391 174.539 174.990 -0.100 0.000 1.197 444 C CA -0.692 58.257 59.018 -0.116 0.000 1.432 444 C CB 1.166 28.862 27.740 -0.073 0.000 2.062 444 C HN 0.927 nan 8.230 nan 0.000 0.471 445 N N 4.258 122.937 118.700 -0.035 0.000 2.498 445 N HA 0.654 5.397 4.740 0.005 0.000 0.287 445 N C -0.990 174.542 175.510 0.036 0.000 1.097 445 N CA -0.063 52.991 53.050 0.007 0.000 0.973 445 N CB 1.338 39.847 38.487 0.036 0.000 1.153 445 N HN 0.596 nan 8.380 nan 0.000 0.472 446 L N 0.801 122.064 121.223 0.065 0.000 2.371 446 L HA 0.856 5.199 4.340 0.005 0.000 0.262 446 L C -0.428 176.497 176.870 0.091 0.000 1.006 446 L CA -0.918 53.959 54.840 0.061 0.000 0.818 446 L CB 2.038 44.123 42.059 0.044 0.000 1.354 446 L HN 0.523 nan 8.230 nan 0.000 0.415 447 A N 0.979 123.830 122.820 0.050 0.000 2.604 447 A HA 0.758 5.081 4.320 0.005 0.000 0.295 447 A C -1.084 176.535 177.584 0.059 0.000 1.067 447 A CA -0.436 51.619 52.037 0.029 0.000 0.683 447 A CB 2.081 21.014 19.000 -0.111 0.000 1.281 447 A HN 0.629 nan 8.150 nan 0.000 0.407 448 S N 0.938 116.707 115.700 0.114 0.000 2.521 448 S HA 0.738 5.211 4.470 0.005 0.000 0.295 448 S C -0.795 173.918 174.600 0.187 0.000 1.098 448 S CA -0.608 57.664 58.200 0.119 0.000 0.999 448 S CB 0.807 64.066 63.200 0.098 0.000 1.034 448 S HN 0.743 nan 8.310 nan 0.000 0.483 449 L N 2.767 124.079 121.223 0.149 0.000 2.331 449 L HA 0.580 4.923 4.340 0.005 0.000 0.278 449 L C 0.694 177.689 176.870 0.207 0.000 1.106 449 L CA -0.661 54.304 54.840 0.209 0.000 0.824 449 L CB 1.008 43.118 42.059 0.085 0.000 1.142 449 L HN 0.943 nan 8.230 nan 0.000 0.443 450 A N 4.900 127.891 122.820 0.286 0.000 2.671 450 A HA 0.324 4.647 4.320 0.005 0.000 0.306 450 A C 1.063 178.827 177.584 0.300 0.000 1.473 450 A CA -0.369 51.787 52.037 0.199 0.000 1.155 450 A CB -0.285 18.765 19.000 0.084 0.000 1.123 450 A HN 0.881 nan 8.150 nan 0.000 0.545 451 L N 1.523 122.880 121.223 0.224 0.000 2.456 451 L HA -0.170 4.173 4.340 0.005 0.000 0.224 451 L C 2.212 179.252 176.870 0.284 0.000 1.148 451 L CA 0.882 55.896 54.840 0.290 0.000 0.825 451 L CB -0.460 41.663 42.059 0.107 0.000 0.937 451 L HN 0.850 nan 8.230 nan 0.000 0.450 452 N N -0.068 118.701 118.700 0.115 0.000 2.216 452 N HA -0.190 4.553 4.740 0.005 0.000 0.183 452 N C 1.668 177.106 175.510 -0.119 0.000 1.017 452 N CA 1.063 54.113 53.050 -0.000 0.000 0.861 452 N CB -0.283 38.194 38.487 -0.017 0.000 0.986 452 N HN 0.271 nan 8.380 nan 0.000 0.428 453 M N 0.414 119.879 119.600 -0.226 0.000 2.435 453 M HA -0.088 4.395 4.480 0.005 0.000 0.262 453 M C 0.725 176.641 176.300 -0.639 0.000 1.065 453 M CA 1.048 55.965 55.300 -0.638 0.000 1.076 453 M CB -0.891 31.045 32.600 -1.108 0.000 1.403 453 M HN 0.171 nan 8.290 nan 0.000 0.454 454 Y N -0.811 119.315 120.300 -0.290 0.000 2.457 454 Y HA 0.157 4.710 4.550 0.005 0.000 0.263 454 Y C 0.869 176.297 175.900 -0.786 0.000 1.164 454 Y CA -0.531 57.300 58.100 -0.448 0.000 1.274 454 Y CB -0.000 38.127 38.460 -0.555 0.000 1.097 454 Y HN -0.219 nan 8.280 nan 0.000 0.523 455 V N 1.485 121.124 119.914 -0.458 0.000 2.546 455 V HA 0.164 4.287 4.120 0.005 0.000 0.284 455 V C 0.646 176.626 176.094 -0.190 0.000 1.050 455 V CA -0.764 61.338 62.300 -0.329 0.000 0.981 455 V CB 1.076 32.800 31.823 -0.165 0.000 0.990 455 V HN 0.332 nan 8.190 nan 0.000 0.474 456 T N 1.226 115.703 114.554 -0.129 0.000 2.881 456 T HA 0.219 4.572 4.350 0.005 0.000 0.278 456 T C 1.146 175.830 174.700 -0.028 0.000 0.982 456 T CA -0.108 61.946 62.100 -0.077 0.000 0.989 456 T CB 1.280 70.106 68.868 -0.069 0.000 1.058 456 T HN 0.519 nan 8.240 nan 0.000 0.529 457 S N -0.098 115.572 115.700 -0.049 0.000 2.447 457 S HA -0.044 4.429 4.470 0.005 0.000 0.233 457 S C 1.675 176.152 174.600 -0.205 0.000 1.006 457 S CA 0.754 58.913 58.200 -0.068 0.000 0.957 457 S CB -0.469 62.689 63.200 -0.070 0.000 0.773 457 S HN 0.850 nan 8.310 nan 0.000 0.507 458 E N 1.030 121.134 120.200 -0.160 0.000 2.472 458 E HA -0.122 4.231 4.350 0.005 0.000 0.200 458 E C -0.329 176.169 176.600 -0.170 0.000 1.046 458 E CA 0.221 56.504 56.400 -0.194 0.000 0.871 458 E CB -0.382 29.265 29.700 -0.089 0.000 0.806 458 E HN 0.433 nan 8.360 nan 0.000 0.533 459 H N -0.923 118.103 119.070 -0.074 0.000 2.791 459 H HA -0.157 4.402 4.556 0.005 0.000 0.302 459 H C -0.316 174.973 175.328 -0.065 0.000 1.198 459 H CA 1.196 57.184 56.048 -0.100 0.000 1.145 459 H CB -2.844 26.852 29.762 -0.109 0.000 1.385 459 H HN 0.270 nan 8.280 nan 0.000 0.409 460 T N -3.793 110.790 114.554 0.047 0.000 2.950 460 T HA 0.579 4.932 4.350 0.005 0.000 0.288 460 T C -0.151 174.532 174.700 -0.029 0.000 1.035 460 T CA -0.982 61.139 62.100 0.035 0.000 1.028 460 T CB 2.676 71.555 68.868 0.019 0.000 1.109 460 T HN 0.195 nan 8.240 nan 0.000 0.514 461 Y N 0.780 120.935 120.300 -0.241 0.000 2.342 461 Y HA 0.370 4.923 4.550 0.005 0.000 0.334 461 Y C 0.101 175.666 175.900 -0.559 0.000 1.067 461 Y CA -0.632 57.176 58.100 -0.487 0.000 1.128 461 Y CB 1.308 39.233 38.460 -0.891 0.000 1.200 461 Y HN 0.735 nan 8.280 nan 0.000 0.464 462 D N 5.651 125.757 120.400 -0.490 0.000 2.522 462 D HA 0.053 4.696 4.640 0.005 0.000 0.218 462 D C 0.276 176.577 176.300 0.001 0.000 1.149 462 D CA 0.153 54.058 54.000 -0.159 0.000 0.981 462 D CB -0.288 40.479 40.800 -0.055 0.000 1.041 462 D HN 0.588 nan 8.370 nan 0.000 0.518 463 F N 1.592 121.695 119.950 0.254 0.000 2.234 463 F HA -0.064 4.465 4.527 0.005 0.000 0.299 463 F C 2.301 178.297 175.800 0.327 0.000 1.087 463 F CA 0.616 58.806 58.000 0.316 0.000 1.340 463 F CB 0.068 39.229 39.000 0.268 0.000 1.031 463 F HN 0.166 nan 8.300 nan 0.000 0.500 464 K N 0.286 120.915 120.400 0.381 0.000 2.057 464 K HA -0.213 4.110 4.320 0.005 0.000 0.207 464 K C 1.994 178.721 176.600 0.212 0.000 1.049 464 K CA 1.388 57.865 56.287 0.316 0.000 0.931 464 K CB -0.180 32.416 32.500 0.160 0.000 0.714 464 K HN -0.058 nan 8.250 nan 0.000 0.440 465 K N 1.264 121.771 120.400 0.179 0.000 2.097 465 K HA -0.092 4.231 4.320 0.005 0.000 0.205 465 K C 1.860 178.609 176.600 0.248 0.000 1.050 465 K CA 0.852 57.233 56.287 0.155 0.000 0.938 465 K CB -0.387 32.206 32.500 0.155 0.000 0.718 465 K HN 0.002 nan 8.250 nan 0.000 0.442 466 L N 0.559 121.897 121.223 0.192 0.000 1.970 466 L HA -0.063 4.280 4.340 0.005 0.000 0.212 466 L C 2.125 178.965 176.870 -0.051 0.000 1.071 466 L CA 2.349 57.096 54.840 -0.155 0.000 0.751 466 L CB -1.217 40.682 42.059 -0.267 0.000 0.889 466 L HN 0.226 nan 8.230 nan 0.000 0.432 467 A N -0.870 121.959 122.820 0.014 0.000 1.917 467 A HA -0.326 3.997 4.320 0.005 0.000 0.219 467 A C 2.327 179.869 177.584 -0.071 0.000 1.182 467 A CA 2.089 54.060 52.037 -0.110 0.000 0.633 467 A CB -0.879 17.957 19.000 -0.272 0.000 0.819 467 A HN 0.672 nan 8.150 nan 0.000 0.448 468 E N -0.368 119.826 120.200 -0.010 0.000 2.058 468 E HA -0.150 4.203 4.350 0.005 0.000 0.194 468 E C 1.855 178.419 176.600 -0.060 0.000 0.997 468 E CA 1.651 58.032 56.400 -0.032 0.000 0.801 468 E CB -0.133 29.551 29.700 -0.027 0.000 0.746 468 E HN 0.340 nan 8.360 nan 0.000 0.450 469 V N 0.580 120.474 119.914 -0.034 0.000 2.379 469 V HA -0.193 3.930 4.120 0.005 0.000 0.245 469 V C 2.399 178.410 176.094 -0.138 0.000 1.044 469 V CA 1.961 64.231 62.300 -0.050 0.000 1.036 469 V CB -0.631 31.266 31.823 0.124 0.000 0.664 469 V HN 0.366 nan 8.190 nan 0.000 0.453 470 T N 0.349 114.831 114.554 -0.120 0.000 2.685 470 T HA -0.282 4.071 4.350 0.005 0.000 0.268 470 T C 1.840 176.453 174.700 -0.146 0.000 1.034 470 T CA 1.949 63.959 62.100 -0.150 0.000 1.149 470 T CB -0.282 68.512 68.868 -0.123 0.000 0.860 470 T HN 0.557 nan 8.240 nan 0.000 0.449 471 K N 0.495 120.824 120.400 -0.118 0.000 2.147 471 K HA -0.018 4.305 4.320 0.005 0.000 0.205 471 K C 2.274 178.818 176.600 -0.095 0.000 1.049 471 K CA 0.916 57.144 56.287 -0.098 0.000 0.936 471 K CB -0.359 32.092 32.500 -0.081 0.000 0.722 471 K HN 0.213 nan 8.250 nan 0.000 0.446 472 V N 1.306 121.150 119.914 -0.117 0.000 2.307 472 V HA -0.201 3.922 4.120 0.005 0.000 0.245 472 V C 2.337 178.342 176.094 -0.148 0.000 1.045 472 V CA 1.344 63.586 62.300 -0.097 0.000 1.024 472 V CB -0.300 31.471 31.823 -0.087 0.000 0.651 472 V HN 0.060 nan 8.190 nan 0.000 0.449 473 V N -0.080 119.629 119.914 -0.341 0.000 2.324 473 V HA -0.260 3.863 4.120 0.005 0.000 0.250 473 V C 2.450 178.458 176.094 -0.144 0.000 1.060 473 V CA 2.049 64.107 62.300 -0.403 0.000 1.042 473 V CB -0.647 30.830 31.823 -0.575 0.000 0.650 473 V HN 0.409 nan 8.190 nan 0.000 0.450 474 V N -0.166 119.685 119.914 -0.106 0.000 2.287 474 V HA -0.304 3.819 4.120 0.005 0.000 0.248 474 V C 2.605 178.695 176.094 -0.006 0.000 1.053 474 V CA 2.268 64.542 62.300 -0.043 0.000 1.027 474 V CB -0.812 30.985 31.823 -0.044 0.000 0.646 474 V HN 0.476 nan 8.190 nan 0.000 0.447 475 R N -0.007 120.493 120.500 -0.001 0.000 2.105 475 R HA -0.175 4.168 4.340 0.005 0.000 0.239 475 R C 2.215 178.564 176.300 0.083 0.000 1.135 475 R CA 1.747 57.873 56.100 0.043 0.000 0.967 475 R CB -0.421 29.911 30.300 0.053 0.000 0.861 475 R HN 0.525 nan 8.270 nan 0.000 0.442 476 N N 0.577 119.340 118.700 0.106 0.000 2.106 476 N HA -0.088 4.655 4.740 0.005 0.000 0.188 476 N C 1.776 177.364 175.510 0.130 0.000 1.029 476 N CA 1.102 54.244 53.050 0.155 0.000 0.848 476 N CB -0.173 38.522 38.487 0.346 0.000 1.007 476 N HN 0.145 nan 8.380 nan 0.000 0.423 477 L N 0.200 121.501 121.223 0.130 0.000 2.156 477 L HA -0.060 4.283 4.340 0.005 0.000 0.208 477 L C 1.929 178.835 176.870 0.061 0.000 1.095 477 L CA 0.725 55.632 54.840 0.113 0.000 0.770 477 L CB -0.410 41.701 42.059 0.088 0.000 0.914 477 L HN 0.161 nan 8.230 nan 0.000 0.439 478 N N 0.523 119.250 118.700 0.046 0.000 2.120 478 N HA -0.197 4.546 4.740 0.005 0.000 0.188 478 N C 1.793 177.323 175.510 0.033 0.000 1.024 478 N CA 1.329 54.400 53.050 0.036 0.000 0.852 478 N CB 0.063 38.567 38.487 0.028 0.000 1.003 478 N HN 0.121 nan 8.380 nan 0.000 0.424 479 K N -0.175 120.239 120.400 0.023 0.000 2.152 479 K HA -0.053 4.270 4.320 0.005 0.000 0.206 479 K C 1.804 178.402 176.600 -0.004 0.000 1.048 479 K CA 0.973 57.262 56.287 0.002 0.000 0.933 479 K CB -0.094 32.380 32.500 -0.043 0.000 0.721 479 K HN 0.301 nan 8.250 nan 0.000 0.447 480 I N 0.639 121.207 120.570 -0.003 0.000 2.439 480 I HA -0.245 3.928 4.170 0.005 0.000 0.251 480 I C 1.989 178.118 176.117 0.020 0.000 1.139 480 I CA 0.859 62.154 61.300 -0.009 0.000 1.438 480 I CB -0.120 37.875 38.000 -0.009 0.000 1.085 480 I HN 0.120 nan 8.210 nan 0.000 0.427 481 I N 0.803 121.407 120.570 0.057 0.000 2.151 481 I HA -0.364 3.809 4.170 0.005 0.000 0.243 481 I C 2.034 178.234 176.117 0.138 0.000 1.080 481 I CA 1.614 62.989 61.300 0.125 0.000 1.339 481 I CB -0.431 37.633 38.000 0.105 0.000 1.039 481 I HN 0.271 nan 8.210 nan 0.000 0.409 482 D N 0.496 120.942 120.400 0.078 0.000 2.178 482 D HA -0.086 4.557 4.640 0.005 0.000 0.202 482 D C 2.252 178.578 176.300 0.042 0.000 0.974 482 D CA 1.291 55.329 54.000 0.063 0.000 0.841 482 D CB 0.030 40.854 40.800 0.040 0.000 0.953 482 D HN 0.408 nan 8.370 nan 0.000 0.478 483 I N 0.432 121.019 120.570 0.028 0.000 2.500 483 I HA -0.127 4.046 4.170 0.005 0.000 0.252 483 I C 0.921 177.060 176.117 0.037 0.000 1.142 483 I CA -0.042 61.279 61.300 0.035 0.000 1.451 483 I CB -0.217 37.801 38.000 0.030 0.000 1.093 483 I HN -0.161 nan 8.210 nan 0.000 0.430 484 N N 0.560 119.235 118.700 -0.043 0.000 2.395 484 N HA -0.089 4.654 4.740 0.005 0.000 0.246 484 N C -1.116 174.259 175.510 -0.225 0.000 1.246 484 N CA 0.536 53.476 53.050 -0.183 0.000 0.879 484 N CB 0.208 38.388 38.487 -0.511 0.000 1.098 484 N HN -0.026 nan 8.380 nan 0.000 0.444 485 Y N 2.570 122.713 120.300 -0.262 0.000 2.369 485 Y HA 0.280 4.834 4.550 0.006 0.000 0.337 485 Y C -0.690 175.110 175.900 -0.165 0.000 0.961 485 Y CA -0.428 57.602 58.100 -0.117 0.000 1.186 485 Y CB 0.346 38.787 38.460 -0.033 0.000 1.139 485 Y HN 0.440 nan 8.280 nan 0.000 0.494 486 Y N 4.960 125.356 120.300 0.161 0.000 2.304 486 Y HA 0.213 4.766 4.550 0.005 0.000 0.328 486 Y C -1.123 174.854 175.900 0.128 0.000 1.123 486 Y CA -1.984 56.218 58.100 0.169 0.000 1.218 486 Y CB 0.657 39.194 38.460 0.129 0.000 1.207 486 Y HN 0.494 nan 8.280 nan 0.000 0.495 487 P HA -0.064 nan 4.420 nan 0.000 0.225 487 P C -0.309 177.030 177.300 0.066 0.000 1.156 487 P CA 0.971 64.116 63.100 0.074 0.000 0.787 487 P CB 0.338 31.989 31.700 -0.082 0.000 0.802 488 V N -5.636 114.340 119.914 0.103 0.000 2.925 488 V HA 0.496 4.619 4.120 0.005 0.000 0.311 488 V C -2.451 173.699 176.094 0.094 0.000 1.104 488 V CA -2.276 60.066 62.300 0.071 0.000 0.954 488 V CB 1.877 33.713 31.823 0.022 0.000 1.022 488 V HN -0.364 nan 8.190 nan 0.000 0.427 489 P HA 0.091 nan 4.420 nan 0.000 0.225 489 P C 1.045 178.331 177.300 -0.024 0.000 1.156 489 P CA 0.872 63.983 63.100 0.018 0.000 0.787 489 P CB 0.320 32.029 31.700 0.014 0.000 0.802 490 E N 0.088 120.286 120.200 -0.002 0.000 2.265 490 E HA -0.120 4.233 4.350 0.005 0.000 0.196 490 E C 2.026 178.614 176.600 -0.021 0.000 0.996 490 E CA 1.336 57.731 56.400 -0.008 0.000 0.832 490 E CB -0.923 28.783 29.700 0.009 0.000 0.756 490 E HN 0.204 nan 8.360 nan 0.000 0.491 491 A N 0.026 122.850 122.820 0.007 0.000 1.970 491 A HA -0.131 4.192 4.320 0.005 0.000 0.216 491 A C 2.287 179.639 177.584 -0.386 0.000 1.170 491 A CA 1.054 53.104 52.037 0.023 0.000 0.645 491 A CB -0.849 18.376 19.000 0.375 0.000 0.816 491 A HN 0.475 nan 8.150 nan 0.000 0.447 492 C N -1.021 117.948 119.300 -0.552 0.000 2.476 492 C HA 0.016 4.479 4.460 0.005 0.000 0.278 492 C C 2.417 177.117 174.990 -0.483 0.000 1.274 492 C CA 1.139 59.572 59.018 -0.975 0.000 1.713 492 C CB -1.264 26.172 27.740 -0.506 0.000 2.039 492 C HN 0.555 nan 8.230 nan 0.000 0.484 493 L N 1.506 122.577 121.223 -0.253 0.000 2.013 493 L HA -0.101 4.242 4.340 0.005 0.000 0.212 493 L C 2.794 179.562 176.870 -0.170 0.000 1.073 493 L CA 2.721 57.465 54.840 -0.160 0.000 0.753 493 L CB -1.264 40.746 42.059 -0.083 0.000 0.890 493 L HN 0.528 nan 8.230 nan 0.000 0.432 494 S N -0.752 114.871 115.700 -0.129 0.000 2.353 494 S HA -0.226 4.247 4.470 0.005 0.000 0.222 494 S C 1.956 176.496 174.600 -0.099 0.000 1.035 494 S CA 1.728 59.900 58.200 -0.047 0.000 1.025 494 S CB -0.405 62.820 63.200 0.043 0.000 0.902 494 S HN 0.627 nan 8.310 nan 0.000 0.440 495 N N 1.109 119.719 118.700 -0.151 0.000 2.142 495 N HA 0.020 4.763 4.740 0.005 0.000 0.186 495 N C 1.715 177.163 175.510 -0.103 0.000 1.023 495 N CA 1.003 53.998 53.050 -0.092 0.000 0.852 495 N CB -0.209 38.248 38.487 -0.049 0.000 0.998 495 N HN 0.353 nan 8.380 nan 0.000 0.424 496 K N 0.665 120.968 120.400 -0.162 0.000 2.148 496 K HA -0.006 4.317 4.320 0.005 0.000 0.204 496 K C 1.965 178.492 176.600 -0.122 0.000 1.050 496 K CA 0.681 56.903 56.287 -0.108 0.000 0.942 496 K CB -0.086 32.349 32.500 -0.107 0.000 0.724 496 K HN 0.293 nan 8.250 nan 0.000 0.446 497 R N -0.074 120.272 120.500 -0.258 0.000 2.062 497 R HA -0.058 4.285 4.340 0.005 0.000 0.229 497 R C 1.836 177.982 176.300 -0.257 0.000 1.128 497 R CA 1.131 57.003 56.100 -0.380 0.000 0.960 497 R CB -0.056 29.723 30.300 -0.869 0.000 0.855 497 R HN 0.380 nan 8.270 nan 0.000 0.432 498 H N -0.765 118.317 119.070 0.019 0.000 2.885 498 H HA 0.282 4.841 4.556 0.006 0.000 0.260 498 H C 0.207 175.357 175.328 -0.297 0.000 0.985 498 H CA -0.109 55.866 56.048 -0.121 0.000 1.210 498 H CB 0.532 30.234 29.762 -0.100 0.000 1.466 498 H HN 0.053 nan 8.280 nan 0.000 0.493 499 R N 0.363 120.831 120.500 -0.053 0.000 3.502 499 R HA -0.111 4.232 4.340 0.005 0.000 0.266 499 R C -2.447 173.805 176.300 -0.080 0.000 1.077 499 R CA 0.286 56.353 56.100 -0.054 0.000 0.718 499 R CB -1.967 28.318 30.300 -0.025 0.000 1.120 499 R HN 0.387 nan 8.270 nan 0.000 0.457 500 P HA 0.132 nan 4.420 nan 0.000 0.269 500 P C 0.416 177.705 177.300 -0.019 0.000 1.209 500 P CA 0.407 63.474 63.100 -0.055 0.000 0.776 500 P CB 0.692 32.372 31.700 -0.033 0.000 0.876 501 I N -2.000 118.566 120.570 -0.007 0.000 3.343 501 I HA 0.883 5.056 4.170 0.005 0.000 0.315 501 I C -0.555 175.572 176.117 0.018 0.000 1.153 501 I CA -1.456 59.850 61.300 0.009 0.000 0.952 501 I CB 2.173 40.184 38.000 0.018 0.000 1.287 501 I HN 0.360 nan 8.210 nan 0.000 0.472 502 G N 2.895 111.708 108.800 0.023 0.000 3.113 502 G HA2 0.598 4.561 3.960 0.005 0.000 0.301 502 G HA3 0.598 4.561 3.960 0.005 0.000 0.301 502 G C -1.049 173.872 174.900 0.035 0.000 1.606 502 G CA -0.280 44.837 45.100 0.028 0.000 1.060 502 G HN 0.503 nan 8.290 nan 0.000 0.540 503 I N 2.398 122.995 120.570 0.044 0.000 2.342 503 I HA 0.560 4.733 4.170 0.005 0.000 0.291 503 I C 1.014 177.175 176.117 0.073 0.000 1.010 503 I CA -0.210 61.113 61.300 0.037 0.000 1.308 503 I CB 1.739 39.751 38.000 0.019 0.000 1.400 503 I HN 0.437 nan 8.210 nan 0.000 0.488 504 G N 5.150 113.994 108.800 0.073 0.000 3.209 504 G HA2 0.800 4.763 3.960 0.005 0.000 0.236 504 G HA3 0.800 4.763 3.960 0.005 0.000 0.236 504 G C -0.844 174.121 174.900 0.109 0.000 1.329 504 G CA -0.442 44.724 45.100 0.110 0.000 1.015 504 G HN 0.550 nan 8.290 nan 0.000 0.571 505 V N -2.579 117.413 119.914 0.129 0.000 3.181 505 V HA 0.929 5.052 4.120 0.005 0.000 0.308 505 V C -1.253 174.905 176.094 0.107 0.000 1.214 505 V CA -0.763 61.603 62.300 0.110 0.000 1.053 505 V CB 1.483 33.370 31.823 0.107 0.000 1.069 505 V HN 1.211 nan 8.190 nan 0.000 0.441 506 Q N 0.525 120.381 119.800 0.094 0.000 2.511 506 Q HA 0.737 5.080 4.340 0.005 0.000 0.289 506 Q C 0.291 176.334 176.000 0.072 0.000 1.021 506 Q CA -0.575 55.279 55.803 0.084 0.000 0.785 506 Q CB 1.687 30.471 28.738 0.076 0.000 1.472 506 Q HN 2.494 nan 8.270 nan 0.000 0.411 507 G N 0.170 109.007 108.800 0.062 0.000 2.157 507 G HA2 -0.286 3.677 3.960 0.005 0.000 0.248 507 G HA3 -0.286 3.677 3.960 0.005 0.000 0.248 507 G C 0.308 175.193 174.900 -0.026 0.000 0.979 507 G CA 0.341 45.468 45.100 0.045 0.000 0.650 507 G HN 0.627 nan 8.290 nan 0.000 0.529 508 L N 1.066 122.255 121.223 -0.057 0.000 2.013 508 L HA 0.253 4.596 4.340 0.005 0.000 0.212 508 L C 2.972 179.562 176.870 -0.468 0.000 1.073 508 L CA 3.394 58.078 54.840 -0.261 0.000 0.753 508 L CB -0.860 41.100 42.059 -0.165 0.000 0.890 508 L HN 0.782 nan 8.230 nan 0.000 0.432 509 A N -0.854 121.882 122.820 -0.140 0.000 1.933 509 A HA -0.244 4.079 4.320 0.005 0.000 0.218 509 A C 1.895 179.450 177.584 -0.047 0.000 1.175 509 A CA 1.942 53.993 52.037 0.024 0.000 0.628 509 A CB -1.014 18.133 19.000 0.244 0.000 0.814 509 A HN 0.605 nan 8.150 nan 0.000 0.444 510 D N 0.231 120.603 120.400 -0.046 0.000 2.117 510 D HA -0.008 4.635 4.640 0.005 0.000 0.197 510 D C 2.162 178.342 176.300 -0.200 0.000 0.987 510 D CA 1.466 55.383 54.000 -0.138 0.000 0.829 510 D CB -0.194 40.603 40.800 -0.004 0.000 0.961 510 D HN 0.460 nan 8.370 nan 0.000 0.460 511 A N 0.261 122.994 122.820 -0.145 0.000 1.933 511 A HA -0.166 4.157 4.320 0.005 0.000 0.218 511 A C 1.698 179.284 177.584 0.003 0.000 1.175 511 A CA 1.037 53.041 52.037 -0.054 0.000 0.628 511 A CB -0.744 18.276 19.000 0.034 0.000 0.814 511 A HN 0.116 nan 8.150 nan 0.000 0.444 512 F N -0.119 119.786 119.950 -0.075 0.000 2.084 512 F HA -0.042 4.488 4.527 0.005 0.000 0.296 512 F C 2.232 177.895 175.800 -0.229 0.000 1.111 512 F CA 0.290 58.233 58.000 -0.095 0.000 1.224 512 F CB -1.193 37.790 39.000 -0.028 0.000 0.991 512 F HN 0.098 nan 8.300 nan 0.000 0.471 513 I N -0.070 120.441 120.570 -0.099 0.000 2.145 513 I HA -0.355 3.818 4.170 0.005 0.000 0.244 513 I C 2.363 178.265 176.117 -0.359 0.000 1.075 513 I CA 1.532 62.615 61.300 -0.361 0.000 1.332 513 I CB -0.623 37.059 38.000 -0.529 0.000 1.033 513 I HN 0.103 nan 8.210 nan 0.000 0.410 514 L N -0.554 120.471 121.223 -0.330 0.000 2.217 514 L HA -0.132 4.211 4.340 0.005 0.000 0.211 514 L C 2.227 178.863 176.870 -0.391 0.000 1.107 514 L CA 0.729 55.388 54.840 -0.302 0.000 0.783 514 L CB -0.259 41.668 42.059 -0.219 0.000 0.919 514 L HN 0.305 nan 8.230 nan 0.000 0.442 515 M N -0.284 119.055 119.600 -0.435 0.000 2.561 515 M HA 0.095 4.578 4.480 0.005 0.000 0.238 515 M C 0.097 175.844 176.300 -0.922 0.000 1.131 515 M CA 0.286 55.152 55.300 -0.724 0.000 1.046 515 M CB 0.037 32.126 32.600 -0.852 0.000 1.532 515 M HN 0.169 nan 8.290 nan 0.000 0.497 516 R N -0.562 119.588 120.500 -0.584 0.000 3.532 516 R HA -0.187 4.156 4.340 0.005 0.000 0.284 516 R C -1.657 174.585 176.300 -0.097 0.000 1.140 516 R CA 0.513 56.406 56.100 -0.345 0.000 0.768 516 R CB -3.430 26.693 30.300 -0.296 0.000 1.252 516 R HN 0.258 nan 8.270 nan 0.000 0.454 517 Y N 0.214 120.422 120.300 -0.154 0.000 2.328 517 Y HA 0.448 5.000 4.550 0.005 0.000 0.336 517 Y C -1.811 173.985 175.900 -0.175 0.000 0.960 517 Y CA -3.700 54.300 58.100 -0.167 0.000 1.134 517 Y CB 1.358 39.688 38.460 -0.215 0.000 1.166 517 Y HN -0.127 nan 8.280 nan 0.000 0.464 518 P HA -0.026 nan 4.420 nan 0.000 0.266 518 P C 0.982 178.256 177.300 -0.043 0.000 1.195 518 P CA 0.168 63.262 63.100 -0.010 0.000 0.768 518 P CB 0.586 32.279 31.700 -0.011 0.000 0.838 519 F N 3.178 123.079 119.950 -0.083 0.000 2.154 519 F HA -0.221 4.309 4.527 0.005 0.000 0.301 519 F C 1.588 177.289 175.800 -0.164 0.000 1.087 519 F CA 1.831 59.788 58.000 -0.073 0.000 1.274 519 F CB -0.131 38.943 39.000 0.123 0.000 1.009 519 F HN 0.405 nan 8.300 nan 0.000 0.485 520 E N -0.250 120.039 120.200 0.148 0.000 2.502 520 E HA 0.007 4.360 4.350 0.005 0.000 0.194 520 E C 0.753 177.313 176.600 -0.067 0.000 1.062 520 E CA 0.356 56.798 56.400 0.071 0.000 0.867 520 E CB -0.116 29.642 29.700 0.096 0.000 0.888 520 E HN 0.331 nan 8.360 nan 0.000 0.510 521 S N -0.119 115.488 115.700 -0.155 0.000 2.584 521 S HA 0.368 4.841 4.470 0.005 0.000 0.273 521 S C 1.252 175.696 174.600 -0.260 0.000 1.311 521 S CA -0.208 57.877 58.200 -0.192 0.000 1.034 521 S CB 1.854 64.920 63.200 -0.223 0.000 0.939 521 S HN 0.112 nan 8.310 nan 0.000 0.513 522 A N 2.204 124.895 122.820 -0.214 0.000 1.978 522 A HA -0.090 4.233 4.320 0.005 0.000 0.220 522 A C 1.936 179.340 177.584 -0.299 0.000 1.170 522 A CA 1.854 53.766 52.037 -0.208 0.000 0.636 522 A CB -1.037 17.873 19.000 -0.151 0.000 0.810 522 A HN 0.927 nan 8.150 nan 0.000 0.448 523 E N 0.171 120.108 120.200 -0.440 0.000 2.031 523 E HA -0.035 4.318 4.350 0.005 0.000 0.193 523 E C 2.296 178.507 176.600 -0.649 0.000 0.994 523 E CA 1.331 57.312 56.400 -0.699 0.000 0.800 523 E CB -0.577 28.270 29.700 -1.422 0.000 0.752 523 E HN 0.561 nan 8.360 nan 0.000 0.447 524 A N 1.018 123.429 122.820 -0.683 0.000 1.927 524 A HA -0.370 3.953 4.320 0.005 0.000 0.220 524 A C 2.112 179.342 177.584 -0.590 0.000 1.185 524 A CA 2.157 53.658 52.037 -0.893 0.000 0.639 524 A CB -0.675 17.630 19.000 -1.158 0.000 0.820 524 A HN 0.277 nan 8.150 nan 0.000 0.451 525 Q N -1.545 118.024 119.800 -0.385 0.000 2.123 525 Q HA -0.074 4.269 4.340 0.005 0.000 0.199 525 Q C 2.128 178.050 176.000 -0.131 0.000 0.966 525 Q CA 1.253 56.922 55.803 -0.224 0.000 0.845 525 Q CB -0.260 28.381 28.738 -0.162 0.000 0.907 525 Q HN 0.607 nan 8.270 nan 0.000 0.439 526 L N 0.595 121.735 121.223 -0.139 0.000 2.056 526 L HA -0.149 4.194 4.340 0.005 0.000 0.207 526 L C 2.029 178.886 176.870 -0.023 0.000 1.078 526 L CA 1.298 56.089 54.840 -0.082 0.000 0.749 526 L CB -0.465 41.539 42.059 -0.091 0.000 0.901 526 L HN 0.190 nan 8.230 nan 0.000 0.433 527 L N -0.035 121.195 121.223 0.011 0.000 2.056 527 L HA -0.181 4.162 4.340 0.005 0.000 0.207 527 L C 2.272 179.233 176.870 0.151 0.000 1.078 527 L CA 1.930 56.851 54.840 0.136 0.000 0.749 527 L CB -1.107 41.100 42.059 0.247 0.000 0.901 527 L HN 0.489 nan 8.230 nan 0.000 0.433 528 N N -0.074 118.743 118.700 0.195 0.000 2.037 528 N HA -0.282 4.461 4.740 0.005 0.000 0.196 528 N C 1.775 177.427 175.510 0.238 0.000 1.034 528 N CA 2.270 55.480 53.050 0.266 0.000 0.861 528 N CB -0.097 38.499 38.487 0.181 0.000 1.039 528 N HN 0.405 nan 8.380 nan 0.000 0.427 529 K N -0.259 120.199 120.400 0.096 0.000 2.057 529 K HA -0.116 4.207 4.320 0.005 0.000 0.207 529 K C 2.184 178.750 176.600 -0.058 0.000 1.049 529 K CA 1.318 57.628 56.287 0.039 0.000 0.931 529 K CB -0.217 32.268 32.500 -0.025 0.000 0.714 529 K HN 0.449 nan 8.250 nan 0.000 0.440 530 Q N 0.660 120.408 119.800 -0.085 0.000 2.119 530 Q HA -0.060 4.283 4.340 0.005 0.000 0.201 530 Q C 2.229 178.159 176.000 -0.115 0.000 0.972 530 Q CA 0.932 56.601 55.803 -0.224 0.000 0.847 530 Q CB -0.134 28.357 28.738 -0.412 0.000 0.903 530 Q HN 0.328 nan 8.270 nan 0.000 0.433 531 I N -0.021 120.542 120.570 -0.012 0.000 2.163 531 I HA -0.289 3.884 4.170 0.005 0.000 0.243 531 I C 1.716 177.643 176.117 -0.316 0.000 1.085 531 I CA 1.469 62.667 61.300 -0.170 0.000 1.347 531 I CB -0.190 37.546 38.000 -0.440 0.000 1.044 531 I HN 0.121 nan 8.210 nan 0.000 0.408 532 F N 0.628 120.560 119.950 -0.029 0.000 2.367 532 F HA -0.085 4.445 4.527 0.005 0.000 0.298 532 F C 2.442 178.252 175.800 0.017 0.000 1.094 532 F CA 0.860 58.870 58.000 0.017 0.000 1.409 532 F CB -0.482 38.544 39.000 0.044 0.000 1.064 532 F HN 0.022 nan 8.300 nan 0.000 0.528 533 E N -0.058 120.066 120.200 -0.127 0.000 2.070 533 E HA -0.209 4.144 4.350 0.005 0.000 0.197 533 E C 2.121 178.748 176.600 0.044 0.000 1.004 533 E CA 2.089 58.347 56.400 -0.237 0.000 0.805 533 E CB -0.338 29.155 29.700 -0.345 0.000 0.744 533 E HN 0.311 nan 8.360 nan 0.000 0.451 534 T N 1.210 115.736 114.554 -0.047 0.000 2.708 534 T HA -0.135 4.218 4.350 0.005 0.000 0.266 534 T C 2.005 176.595 174.700 -0.183 0.000 1.037 534 T CA 0.997 62.978 62.100 -0.197 0.000 1.146 534 T CB -0.230 68.731 68.868 0.156 0.000 0.865 534 T HN 0.097 nan 8.240 nan 0.000 0.435 535 I N -0.105 120.427 120.570 -0.062 0.000 2.163 535 I HA -0.215 3.958 4.170 0.005 0.000 0.243 535 I C 2.299 178.480 176.117 0.105 0.000 1.085 535 I CA 1.526 62.810 61.300 -0.027 0.000 1.347 535 I CB -0.366 37.605 38.000 -0.048 0.000 1.044 535 I HN 0.192 nan 8.210 nan 0.000 0.408 536 Y N 0.287 120.658 120.300 0.118 0.000 2.181 536 Y HA -0.322 4.231 4.550 0.005 0.000 0.288 536 Y C 2.485 178.498 175.900 0.188 0.000 1.146 536 Y CA 1.337 59.576 58.100 0.231 0.000 1.164 536 Y CB -0.814 37.925 38.460 0.464 0.000 0.982 536 Y HN 0.192 nan 8.280 nan 0.000 0.515 537 Y N -0.190 120.093 120.300 -0.029 0.000 2.114 537 Y HA -0.133 4.421 4.550 0.006 0.000 0.284 537 Y C 2.598 178.213 175.900 -0.475 0.000 1.143 537 Y CA 2.017 59.823 58.100 -0.489 0.000 1.135 537 Y CB -0.771 36.975 38.460 -1.190 0.000 0.980 537 Y HN 0.100 nan 8.280 nan 0.000 0.499 538 G N -0.407 108.247 108.800 -0.244 0.000 2.418 538 G HA2 -0.289 3.674 3.960 0.005 0.000 0.217 538 G HA3 -0.289 3.674 3.960 0.005 0.000 0.217 538 G C 1.787 176.590 174.900 -0.162 0.000 1.158 538 G CA 0.938 45.909 45.100 -0.215 0.000 0.771 538 G HN 0.596 nan 8.290 nan 0.000 0.545 539 A N 0.336 123.093 122.820 -0.105 0.000 1.940 539 A HA 0.071 4.394 4.320 0.005 0.000 0.219 539 A C 2.441 179.963 177.584 -0.104 0.000 1.176 539 A CA 1.337 53.339 52.037 -0.059 0.000 0.631 539 A CB -0.347 18.681 19.000 0.047 0.000 0.814 539 A HN 0.376 nan 8.150 nan 0.000 0.446 540 L N -1.279 119.824 121.223 -0.200 0.000 2.044 540 L HA -0.144 4.199 4.340 0.005 0.000 0.205 540 L C 2.634 179.377 176.870 -0.212 0.000 1.075 540 L CA 1.610 56.311 54.840 -0.232 0.000 0.747 540 L CB -0.484 41.357 42.059 -0.362 0.000 0.903 540 L HN 0.577 nan 8.230 nan 0.000 0.435 541 E N 0.354 120.381 120.200 -0.288 0.000 2.114 541 E HA -0.306 4.047 4.350 0.005 0.000 0.199 541 E C 2.109 178.630 176.600 -0.131 0.000 1.008 541 E CA 1.538 57.808 56.400 -0.217 0.000 0.810 541 E CB -0.003 29.565 29.700 -0.220 0.000 0.739 541 E HN 0.480 nan 8.360 nan 0.000 0.456 542 A N 0.193 122.942 122.820 -0.118 0.000 1.873 542 A HA -0.159 4.164 4.320 0.005 0.000 0.215 542 A C 2.348 179.890 177.584 -0.070 0.000 1.186 542 A CA 1.769 53.756 52.037 -0.083 0.000 0.616 542 A CB -0.839 18.117 19.000 -0.074 0.000 0.823 542 A HN 0.328 nan 8.150 nan 0.000 0.442 543 S N -1.372 114.289 115.700 -0.066 0.000 2.383 543 S HA -0.192 4.281 4.470 0.005 0.000 0.227 543 S C 2.052 176.617 174.600 -0.059 0.000 1.026 543 S CA 1.394 59.567 58.200 -0.045 0.000 0.981 543 S CB -0.895 62.291 63.200 -0.023 0.000 0.818 543 S HN 0.714 nan 8.310 nan 0.000 0.472 544 C N 1.729 120.986 119.300 -0.073 0.000 2.413 544 C HA -0.115 4.348 4.460 0.005 0.000 0.277 544 C C 2.265 177.207 174.990 -0.079 0.000 1.228 544 C CA 1.614 60.596 59.018 -0.060 0.000 1.731 544 C CB -1.592 26.122 27.740 -0.044 0.000 2.042 544 C HN 0.623 nan 8.230 nan 0.000 0.468 545 D N 0.576 120.917 120.400 -0.098 0.000 2.117 545 D HA -0.108 4.535 4.640 0.005 0.000 0.197 545 D C 2.101 178.328 176.300 -0.121 0.000 0.987 545 D CA 1.124 55.042 54.000 -0.137 0.000 0.829 545 D CB -0.666 40.067 40.800 -0.112 0.000 0.961 545 D HN 0.511 nan 8.370 nan 0.000 0.460 546 L N 0.658 121.833 121.223 -0.080 0.000 2.127 546 L HA -0.198 4.145 4.340 0.005 0.000 0.211 546 L C 2.438 179.270 176.870 -0.063 0.000 1.089 546 L CA 1.186 55.991 54.840 -0.057 0.000 0.757 546 L CB -0.330 41.712 42.059 -0.030 0.000 0.899 546 L HN 0.007 nan 8.230 nan 0.000 0.434 547 A N -0.519 122.256 122.820 -0.076 0.000 1.929 547 A HA -0.212 4.111 4.320 0.005 0.000 0.216 547 A C 2.395 179.931 177.584 -0.080 0.000 1.176 547 A CA 1.536 53.526 52.037 -0.078 0.000 0.628 547 A CB -0.341 18.595 19.000 -0.108 0.000 0.816 547 A HN 0.301 nan 8.150 nan 0.000 0.444 548 K N -0.132 120.173 120.400 -0.158 0.000 2.026 548 K HA -0.189 4.134 4.320 0.005 0.000 0.208 548 K C 1.893 178.395 176.600 -0.163 0.000 1.048 548 K CA 1.756 57.879 56.287 -0.272 0.000 0.929 548 K CB -0.149 31.971 32.500 -0.633 0.000 0.713 548 K HN 0.604 nan 8.250 nan 0.000 0.439 549 E N 0.050 120.170 120.200 -0.132 0.000 2.047 549 E HA -0.183 4.170 4.350 0.005 0.000 0.191 549 E C 1.755 178.327 176.600 -0.048 0.000 0.987 549 E CA 1.409 57.760 56.400 -0.082 0.000 0.799 549 E CB 0.163 29.824 29.700 -0.065 0.000 0.752 549 E HN 0.356 nan 8.360 nan 0.000 0.449 550 Q N -1.003 118.773 119.800 -0.039 0.000 2.189 550 Q HA 0.234 4.577 4.340 0.005 0.000 0.223 550 Q C -0.172 175.821 176.000 -0.012 0.000 0.828 550 Q CA 0.139 55.931 55.803 -0.017 0.000 0.967 550 Q CB 1.959 30.692 28.738 -0.007 0.000 1.139 550 Q HN 0.228 nan 8.270 nan 0.000 0.497 551 G N 2.511 111.299 108.800 -0.020 0.000 2.722 551 G HA2 -0.157 3.806 3.960 0.005 0.000 0.686 551 G HA3 -0.157 3.806 3.960 0.005 0.000 0.686 551 G C -2.988 171.888 174.900 -0.040 0.000 1.282 551 G CA -1.116 43.973 45.100 -0.019 0.000 0.817 551 G HN -0.057 nan 8.290 nan 0.000 0.605 552 P HA 0.423 nan 4.420 nan 0.000 0.275 552 P C 0.172 177.425 177.300 -0.077 0.000 1.266 552 P CA -0.448 62.538 63.100 -0.190 0.000 0.793 552 P CB 0.162 31.594 31.700 -0.446 0.000 1.074 553 Y N -1.970 118.315 120.300 -0.025 0.000 2.379 553 Y HA 0.190 4.743 4.550 0.006 0.000 0.337 553 Y C 1.925 177.878 175.900 0.088 0.000 1.238 553 Y CA -0.407 57.716 58.100 0.038 0.000 1.405 553 Y CB -0.238 38.262 38.460 0.066 0.000 1.310 553 Y HN 0.496 nan 8.280 nan 0.000 0.569 554 E N 0.531 120.843 120.200 0.188 0.000 2.086 554 E HA -0.244 4.109 4.350 0.005 0.000 0.200 554 E C 1.328 177.995 176.600 0.112 0.000 1.012 554 E CA 2.311 58.774 56.400 0.105 0.000 0.812 554 E CB -0.119 29.624 29.700 0.072 0.000 0.743 554 E HN 0.911 nan 8.360 nan 0.000 0.453 555 T N -1.755 112.969 114.554 0.284 0.000 3.244 555 T HA 0.005 4.358 4.350 0.005 0.000 0.254 555 T C 1.031 175.807 174.700 0.127 0.000 1.024 555 T CA -0.323 61.940 62.100 0.271 0.000 0.920 555 T CB -0.111 69.044 68.868 0.479 0.000 1.042 555 T HN 0.209 nan 8.240 nan 0.000 0.572 556 Y N 2.468 122.485 120.300 -0.472 0.000 2.133 556 Y HA 0.117 4.669 4.550 0.003 0.000 0.287 556 Y C 0.925 176.680 175.900 -0.241 0.000 1.134 556 Y CA 0.829 58.498 58.100 -0.719 0.000 1.133 556 Y CB -0.189 37.707 38.460 -0.942 0.000 0.987 556 Y HN 0.151 nan 8.280 nan 0.000 0.502 557 E N 0.669 120.706 120.200 -0.272 0.000 2.366 557 E HA 0.239 4.592 4.350 0.005 0.000 0.266 557 E C 1.107 177.571 176.600 -0.227 0.000 1.015 557 E CA 0.950 57.164 56.400 -0.309 0.000 0.906 557 E CB 0.237 29.864 29.700 -0.121 0.000 0.979 557 E HN 0.626 nan 8.360 nan 0.000 0.443 558 G N 2.721 111.371 108.800 -0.250 0.000 2.213 558 G HA2 -0.293 3.670 3.960 0.005 0.000 0.226 558 G HA3 -0.293 3.670 3.960 0.005 0.000 0.226 558 G C 0.458 175.272 174.900 -0.143 0.000 0.992 558 G CA 0.303 45.312 45.100 -0.152 0.000 0.632 558 G HN 0.674 nan 8.290 nan 0.000 0.511 559 S N 0.648 116.224 115.700 -0.208 0.000 2.617 559 S HA 0.646 5.119 4.470 0.005 0.000 0.269 559 S C -0.712 173.819 174.600 -0.114 0.000 1.292 559 S CA -0.448 57.688 58.200 -0.108 0.000 1.010 559 S CB 2.307 65.497 63.200 -0.017 0.000 0.944 559 S HN -0.016 nan 8.310 nan 0.000 0.536 560 P HA -0.146 nan 4.420 nan 0.000 0.215 560 P C 1.662 178.942 177.300 -0.035 0.000 1.163 560 P CA 0.991 64.069 63.100 -0.037 0.000 0.894 560 P CB -0.249 31.442 31.700 -0.015 0.000 0.791 561 V N 0.456 120.383 119.914 0.021 0.000 2.370 561 V HA -0.288 3.835 4.120 0.005 0.000 0.252 561 V C 2.398 178.499 176.094 0.012 0.000 1.068 561 V CA 2.568 64.918 62.300 0.084 0.000 1.061 561 V CB -1.800 30.172 31.823 0.250 0.000 0.656 561 V HN 0.308 nan 8.190 nan 0.000 0.455 562 S N -0.535 115.012 115.700 -0.255 0.000 2.547 562 S HA -0.092 4.381 4.470 0.005 0.000 0.235 562 S C 1.298 175.784 174.600 -0.191 0.000 0.980 562 S CA 0.817 58.736 58.200 -0.467 0.000 0.941 562 S CB -0.334 62.300 63.200 -0.945 0.000 0.763 562 S HN 0.718 nan 8.310 nan 0.000 0.532 563 K N 0.657 120.988 120.400 -0.114 0.000 2.593 563 K HA 0.378 4.701 4.320 0.005 0.000 0.208 563 K C 0.879 177.458 176.600 -0.035 0.000 1.051 563 K CA 0.132 56.378 56.287 -0.069 0.000 1.111 563 K CB 0.340 32.800 32.500 -0.066 0.000 0.849 563 K HN 0.369 nan 8.250 nan 0.000 0.479 564 G N 1.836 110.628 108.800 -0.014 0.000 2.168 564 G HA2 -0.280 3.683 3.960 0.005 0.000 0.257 564 G HA3 -0.280 3.683 3.960 0.005 0.000 0.257 564 G C 0.088 174.970 174.900 -0.029 0.000 0.997 564 G CA 0.119 45.220 45.100 0.001 0.000 0.708 564 G HN 0.352 nan 8.290 nan 0.000 0.520 565 I N 0.601 121.144 120.570 -0.044 0.000 2.336 565 I HA 0.522 4.696 4.170 0.005 0.000 0.292 565 I C 0.772 176.831 176.117 -0.097 0.000 0.991 565 I CA -0.731 60.517 61.300 -0.086 0.000 1.227 565 I CB 1.154 39.113 38.000 -0.067 0.000 1.366 565 I HN -0.047 nan 8.210 nan 0.000 0.466 566 L N 4.321 125.409 121.223 -0.225 0.000 2.260 566 L HA 0.332 4.675 4.340 0.005 0.000 0.265 566 L C 1.008 177.713 176.870 -0.274 0.000 1.015 566 L CA -0.650 54.063 54.840 -0.211 0.000 0.826 566 L CB 1.433 43.266 42.059 -0.377 0.000 1.373 566 L HN 0.466 nan 8.230 nan 0.000 0.450 567 Q N 0.473 120.217 119.800 -0.094 0.000 2.061 567 Q HA -0.234 4.109 4.340 0.005 0.000 0.204 567 Q C 1.814 177.724 176.000 -0.151 0.000 0.984 567 Q CA 2.562 58.293 55.803 -0.119 0.000 0.846 567 Q CB -0.408 28.156 28.738 -0.290 0.000 0.902 567 Q HN 0.605 nan 8.270 nan 0.000 0.421 568 Y N -1.015 119.082 120.300 -0.339 0.000 2.274 568 Y HA -0.066 4.487 4.550 0.005 0.000 0.290 568 Y C 1.597 177.397 175.900 -0.168 0.000 1.145 568 Y CA 1.138 58.940 58.100 -0.496 0.000 1.203 568 Y CB -0.844 37.037 38.460 -0.965 0.000 0.984 568 Y HN 0.041 nan 8.280 nan 0.000 0.533 569 D N 1.094 121.235 120.400 -0.432 0.000 2.116 569 D HA -0.213 4.430 4.640 0.005 0.000 0.193 569 D C 1.993 178.254 176.300 -0.065 0.000 0.998 569 D CA 2.102 55.979 54.000 -0.204 0.000 0.836 569 D CB -0.405 40.221 40.800 -0.291 0.000 0.951 569 D HN 0.499 nan 8.370 nan 0.000 0.449 570 M N -1.265 118.299 119.600 -0.059 0.000 2.358 570 M HA -0.137 4.346 4.480 0.005 0.000 0.264 570 M C 1.143 177.410 176.300 -0.055 0.000 1.064 570 M CA 0.988 56.256 55.300 -0.054 0.000 1.093 570 M CB -0.100 32.454 32.600 -0.076 0.000 1.401 570 M HN 0.095 nan 8.290 nan 0.000 0.440 571 W N 0.448 121.651 121.300 -0.161 0.000 3.278 571 W HA 0.196 4.858 4.660 0.004 0.000 0.308 571 W C 0.323 176.779 176.519 -0.105 0.000 1.253 571 W CA -0.371 56.890 57.345 -0.141 0.000 1.759 571 W CB -0.338 29.019 29.460 -0.171 0.000 1.093 571 W HN 0.242 nan 8.180 nan 0.000 0.648 572 N N 0.049 118.811 118.700 0.103 0.000 2.716 572 N HA -0.170 4.573 4.740 0.005 0.000 0.250 572 N C -0.587 174.973 175.510 0.084 0.000 1.033 572 N CA 0.856 53.945 53.050 0.065 0.000 0.727 572 N CB -1.753 36.750 38.487 0.028 0.000 0.950 572 N HN -0.003 nan 8.380 nan 0.000 0.541 573 V N 0.291 120.267 119.914 0.103 0.000 2.612 573 V HA 0.382 4.505 4.120 0.005 0.000 0.301 573 V C 0.819 176.961 176.094 0.080 0.000 1.046 573 V CA -0.306 62.029 62.300 0.058 0.000 0.946 573 V CB 2.194 33.997 31.823 -0.033 0.000 1.003 573 V HN 0.166 nan 8.190 nan 0.000 0.459 574 T N 5.670 120.245 114.554 0.035 0.000 2.758 574 T HA 0.480 4.833 4.350 0.005 0.000 0.285 574 T C -2.513 172.170 174.700 -0.028 0.000 0.981 574 T CA -0.820 61.283 62.100 0.005 0.000 0.965 574 T CB 1.439 70.324 68.868 0.029 0.000 0.927 574 T HN 0.480 nan 8.240 nan 0.000 0.448 575 P HA 0.276 nan 4.420 nan 0.000 0.278 575 P C 0.481 177.798 177.300 0.028 0.000 1.238 575 P CA -0.589 62.480 63.100 -0.052 0.000 0.794 575 P CB 0.313 31.814 31.700 -0.331 0.000 0.955 576 T N -1.727 112.834 114.554 0.012 0.000 2.616 576 T HA -0.020 4.333 4.350 0.005 0.000 0.327 576 T C 0.764 175.473 174.700 0.016 0.000 1.049 576 T CA 0.088 62.181 62.100 -0.013 0.000 1.022 576 T CB 0.146 68.968 68.868 -0.078 0.000 1.009 576 T HN 0.292 nan 8.240 nan 0.000 0.535 577 D N -0.231 120.143 120.400 -0.043 0.000 2.349 577 D HA 0.053 4.696 4.640 0.005 0.000 0.224 577 D C 1.746 177.939 176.300 -0.179 0.000 1.029 577 D CA -0.052 53.912 54.000 -0.059 0.000 0.879 577 D CB -0.095 40.670 40.800 -0.058 0.000 0.906 577 D HN 0.417 nan 8.370 nan 0.000 0.528 578 L N -0.241 120.817 121.223 -0.275 0.000 1.963 578 L HA -0.141 4.202 4.340 0.005 0.000 0.220 578 L C 0.159 176.532 176.870 -0.827 0.000 1.076 578 L CA 1.770 56.258 54.840 -0.586 0.000 0.772 578 L CB -0.255 41.394 42.059 -0.684 0.000 0.892 578 L HN -0.014 nan 8.230 nan 0.000 0.435 579 W N -1.213 119.819 121.300 -0.446 0.000 2.578 579 W HA 0.329 4.992 4.660 0.006 0.000 0.353 579 W C -0.156 176.033 176.519 -0.549 0.000 1.088 579 W CA -0.698 56.186 57.345 -0.768 0.000 1.235 579 W CB 0.412 28.974 29.460 -1.497 0.000 1.362 579 W HN -0.124 nan 8.180 nan 0.000 0.592 580 D N 1.162 121.448 120.400 -0.190 0.000 2.500 580 D HA 0.106 4.749 4.640 0.005 0.000 0.219 580 D C 0.347 176.774 176.300 0.213 0.000 1.137 580 D CA -0.504 53.519 54.000 0.040 0.000 0.946 580 D CB 0.022 40.860 40.800 0.064 0.000 1.022 580 D HN 0.352 nan 8.370 nan 0.000 0.518 581 W N 2.638 124.172 121.300 0.389 0.000 2.364 581 W HA -0.111 4.552 4.660 0.004 0.000 0.281 581 W C 2.365 179.025 176.519 0.234 0.000 1.219 581 W CA 0.370 57.936 57.345 0.369 0.000 1.220 581 W CB 0.031 29.693 29.460 0.337 0.000 1.127 581 W HN 0.342 nan 8.180 nan 0.000 0.556 582 K N 0.446 121.072 120.400 0.377 0.000 1.985 582 K HA -0.202 4.121 4.320 0.005 0.000 0.210 582 K C 1.782 178.491 176.600 0.181 0.000 1.047 582 K CA 2.072 58.506 56.287 0.244 0.000 0.932 582 K CB -0.572 32.036 32.500 0.180 0.000 0.716 582 K HN -0.032 nan 8.250 nan 0.000 0.439 583 V N 1.838 121.848 119.914 0.161 0.000 2.380 583 V HA -0.280 3.843 4.120 0.005 0.000 0.251 583 V C 2.314 178.466 176.094 0.096 0.000 1.063 583 V CA 1.775 64.147 62.300 0.120 0.000 1.055 583 V CB -0.547 31.349 31.823 0.121 0.000 0.657 583 V HN 0.370 nan 8.190 nan 0.000 0.455 584 L N 0.011 121.289 121.223 0.092 0.000 2.044 584 L HA -0.095 4.248 4.340 0.005 0.000 0.205 584 L C 2.430 179.321 176.870 0.036 0.000 1.075 584 L CA 1.886 56.701 54.840 -0.042 0.000 0.747 584 L CB -0.690 41.163 42.059 -0.344 0.000 0.903 584 L HN 0.171 nan 8.230 nan 0.000 0.435 585 K N -0.193 120.285 120.400 0.130 0.000 2.074 585 K HA -0.243 4.080 4.320 0.005 0.000 0.209 585 K C 1.939 178.582 176.600 0.071 0.000 1.048 585 K CA 2.190 58.547 56.287 0.116 0.000 0.926 585 K CB -0.283 32.309 32.500 0.155 0.000 0.713 585 K HN 0.518 nan 8.250 nan 0.000 0.444 586 E N 0.799 121.038 120.200 0.065 0.000 2.077 586 E HA -0.185 4.168 4.350 0.005 0.000 0.193 586 E C 1.957 178.558 176.600 0.002 0.000 0.989 586 E CA 1.168 57.585 56.400 0.029 0.000 0.800 586 E CB 0.004 29.722 29.700 0.030 0.000 0.746 586 E HN 0.251 nan 8.360 nan 0.000 0.452 587 K N 0.608 121.026 120.400 0.030 0.000 2.032 587 K HA -0.171 4.152 4.320 0.005 0.000 0.209 587 K C 2.206 178.845 176.600 0.066 0.000 1.048 587 K CA 1.386 57.713 56.287 0.067 0.000 0.927 587 K CB -0.231 32.320 32.500 0.084 0.000 0.712 587 K HN 0.132 nan 8.250 nan 0.000 0.441 588 I N 0.944 121.542 120.570 0.047 0.000 2.179 588 I HA -0.261 3.912 4.170 0.005 0.000 0.242 588 I C 2.536 178.692 176.117 0.064 0.000 1.088 588 I CA 1.101 62.435 61.300 0.058 0.000 1.357 588 I CB -0.476 37.563 38.000 0.065 0.000 1.051 588 I HN 0.150 nan 8.210 nan 0.000 0.409 589 A N 0.505 123.350 122.820 0.041 0.000 1.986 589 A HA -0.278 4.045 4.320 0.005 0.000 0.220 589 A C 2.414 179.976 177.584 -0.037 0.000 1.171 589 A CA 1.998 54.049 52.037 0.024 0.000 0.640 589 A CB -0.514 18.490 19.000 0.007 0.000 0.811 589 A HN 0.389 nan 8.150 nan 0.000 0.451 590 K N -2.309 118.007 120.400 -0.140 0.000 2.067 590 K HA -0.040 4.283 4.320 0.005 0.000 0.203 590 K C 1.337 177.722 176.600 -0.359 0.000 1.048 590 K CA 1.213 57.295 56.287 -0.341 0.000 0.954 590 K CB -0.062 32.055 32.500 -0.639 0.000 0.737 590 K HN 0.533 nan 8.250 nan 0.000 0.444 591 Y N -0.327 119.968 120.300 -0.010 0.000 2.462 591 Y HA 0.258 4.810 4.550 0.003 0.000 0.253 591 Y C 1.112 176.949 175.900 -0.105 0.000 1.095 591 Y CA 0.286 58.360 58.100 -0.044 0.000 1.283 591 Y CB 0.520 38.948 38.460 -0.052 0.000 1.138 591 Y HN 0.306 nan 8.280 nan 0.000 0.522 592 G N 1.665 110.472 108.800 0.012 0.000 2.698 592 G HA2 -0.242 3.721 3.960 0.005 0.000 0.233 592 G HA3 -0.242 3.721 3.960 0.005 0.000 0.233 592 G C -0.536 174.148 174.900 -0.361 0.000 1.352 592 G CA -0.211 44.701 45.100 -0.314 0.000 0.879 592 G HN 0.487 nan 8.290 nan 0.000 0.567 593 I N -4.145 116.021 120.570 -0.674 0.000 2.865 593 I HA 0.844 5.017 4.170 0.005 0.000 0.302 593 I C 0.742 176.785 176.117 -0.123 0.000 1.140 593 I CA -1.238 59.908 61.300 -0.257 0.000 1.021 593 I CB 2.185 40.142 38.000 -0.073 0.000 1.233 593 I HN 0.569 nan 8.210 nan 0.000 0.427 594 R N 2.340 122.852 120.500 0.019 0.000 2.200 594 R HA 0.249 4.592 4.340 0.005 0.000 0.208 594 R C -0.543 175.890 176.300 0.222 0.000 1.033 594 R CA 0.848 57.016 56.100 0.112 0.000 1.000 594 R CB -0.299 30.021 30.300 0.034 0.000 0.906 594 R HN 0.852 nan 8.270 nan 0.000 0.462 595 N N -1.043 117.735 118.700 0.130 0.000 2.346 595 N HA 0.096 4.839 4.740 0.005 0.000 0.289 595 N C -0.036 175.337 175.510 -0.229 0.000 1.027 595 N CA -0.019 52.983 53.050 -0.080 0.000 0.864 595 N CB 2.163 40.634 38.487 -0.026 0.000 1.370 595 N HN -0.003 nan 8.380 nan 0.000 0.481 596 S N 1.707 116.983 115.700 -0.707 0.000 2.442 596 S HA 0.011 4.484 4.470 0.005 0.000 0.236 596 S C 0.409 174.946 174.600 -0.105 0.000 1.007 596 S CA 0.678 58.551 58.200 -0.544 0.000 0.965 596 S CB -0.261 62.580 63.200 -0.599 0.000 0.773 596 S HN 0.462 nan 8.310 nan 0.000 0.504 597 L N -0.463 120.716 121.223 -0.073 0.000 2.466 597 L HA 0.508 4.851 4.340 0.005 0.000 0.258 597 L C -0.078 176.815 176.870 0.038 0.000 0.973 597 L CA -0.646 54.205 54.840 0.019 0.000 0.826 597 L CB 2.111 44.171 42.059 0.003 0.000 1.372 597 L HN 0.015 nan 8.230 nan 0.000 0.409 598 L N 1.126 122.406 121.223 0.096 0.000 2.713 598 L HA 0.377 4.720 4.340 0.005 0.000 0.223 598 L C -0.277 176.656 176.870 0.105 0.000 1.040 598 L CA 0.032 54.935 54.840 0.105 0.000 0.894 598 L CB 0.755 42.909 42.059 0.158 0.000 1.361 598 L HN 0.329 nan 8.230 nan 0.000 0.490 599 I N 1.020 121.664 120.570 0.124 0.000 2.404 599 I HA 0.608 4.781 4.170 0.005 0.000 0.293 599 I C -0.206 175.954 176.117 0.072 0.000 0.992 599 I CA -0.769 60.600 61.300 0.114 0.000 1.149 599 I CB 1.271 39.361 38.000 0.150 0.000 1.315 599 I HN 0.018 nan 8.210 nan 0.000 0.446 600 A N 7.731 130.593 122.820 0.070 0.000 2.686 600 A HA 0.591 4.914 4.320 0.005 0.000 0.299 600 A C -2.780 174.830 177.584 0.044 0.000 1.151 600 A CA -0.924 51.138 52.037 0.040 0.000 0.851 600 A CB 0.675 19.686 19.000 0.019 0.000 1.448 600 A HN 0.404 nan 8.150 nan 0.000 0.404 601 P HA 0.088 nan 4.420 nan 0.000 0.257 601 P C 0.496 177.810 177.300 0.023 0.000 1.227 601 P CA 0.427 63.567 63.100 0.067 0.000 0.981 601 P CB 0.139 31.875 31.700 0.062 0.000 1.044 602 M N 5.083 124.697 119.600 0.024 0.000 2.159 602 M HA 0.396 4.879 4.480 0.005 0.000 0.293 602 M C -1.919 174.392 176.300 0.018 0.000 1.186 602 M CA -2.271 53.025 55.300 -0.006 0.000 1.073 602 M CB -0.731 31.871 32.600 0.004 0.000 1.419 602 M HN -0.110 nan 8.290 nan 0.000 0.490 603 P HA -0.086 nan 4.420 nan 0.000 0.218 603 P C 0.294 177.634 177.300 0.066 0.000 1.149 603 P CA 2.915 66.054 63.100 0.064 0.000 0.817 603 P CB -0.368 31.390 31.700 0.096 0.000 0.785 604 T N -4.050 110.537 114.554 0.055 0.000 3.946 604 T HA -0.270 4.083 4.350 0.005 0.000 0.356 604 T C 0.905 175.634 174.700 0.048 0.000 0.758 604 T CA 0.573 62.703 62.100 0.052 0.000 1.911 604 T CB -2.210 66.692 68.868 0.056 0.000 1.835 604 T HN 0.291 nan 8.240 nan 0.000 0.807 605 A N 0.316 123.167 122.820 0.052 0.000 1.970 605 A HA 0.277 4.600 4.320 0.005 0.000 0.216 605 A C 2.535 180.147 177.584 0.046 0.000 1.170 605 A CA 1.633 53.696 52.037 0.044 0.000 0.645 605 A CB -0.375 18.650 19.000 0.043 0.000 0.816 605 A HN 0.832 nan 8.150 nan 0.000 0.447 606 S N -0.304 115.432 115.700 0.060 0.000 2.339 606 S HA -0.086 4.387 4.470 0.005 0.000 0.213 606 S C 2.245 176.843 174.600 -0.004 0.000 1.033 606 S CA 1.493 59.736 58.200 0.073 0.000 0.950 606 S CB -0.821 62.479 63.200 0.167 0.000 0.893 606 S HN 0.818 nan 8.310 nan 0.000 0.492 607 T N 1.575 116.114 114.554 -0.025 0.000 2.833 607 T HA 0.059 4.412 4.350 0.005 0.000 0.269 607 T C 1.900 176.585 174.700 -0.026 0.000 1.054 607 T CA 1.106 63.162 62.100 -0.073 0.000 1.135 607 T CB -0.569 68.273 68.868 -0.043 0.000 0.869 607 T HN 0.314 nan 8.240 nan 0.000 0.466 608 A N 1.712 124.538 122.820 0.010 0.000 1.883 608 A HA -0.173 4.150 4.320 0.005 0.000 0.217 608 A C 2.470 180.073 177.584 0.031 0.000 1.186 608 A CA 2.003 54.057 52.037 0.029 0.000 0.624 608 A CB -1.131 17.893 19.000 0.039 0.000 0.822 608 A HN 0.656 nan 8.150 nan 0.000 0.444 609 Q N -0.338 119.476 119.800 0.024 0.000 2.135 609 Q HA -0.167 4.176 4.340 0.005 0.000 0.204 609 Q C 1.878 177.910 176.000 0.053 0.000 0.981 609 Q CA 1.945 57.770 55.803 0.037 0.000 0.856 609 Q CB -0.326 28.429 28.738 0.029 0.000 0.902 609 Q HN 0.714 nan 8.270 nan 0.000 0.425 610 I N 0.258 120.828 120.570 0.001 0.000 2.179 610 I HA -0.282 3.891 4.170 0.005 0.000 0.242 610 I C 1.967 178.164 176.117 0.132 0.000 1.088 610 I CA 0.982 62.278 61.300 -0.007 0.000 1.357 610 I CB -0.170 37.718 38.000 -0.188 0.000 1.051 610 I HN 0.295 nan 8.210 nan 0.000 0.409 611 L N 0.455 121.726 121.223 0.079 0.000 2.478 611 L HA 0.095 4.438 4.340 0.005 0.000 0.223 611 L C 1.216 178.116 176.870 0.049 0.000 1.140 611 L CA 0.661 55.542 54.840 0.070 0.000 0.842 611 L CB -0.896 41.170 42.059 0.013 0.000 0.953 611 L HN 0.562 nan 8.230 nan 0.000 0.452 612 G N 1.486 110.329 108.800 0.072 0.000 2.291 612 G HA2 -0.218 3.745 3.960 0.005 0.000 0.271 612 G HA3 -0.218 3.745 3.960 0.005 0.000 0.271 612 G C -0.327 174.613 174.900 0.066 0.000 1.099 612 G CA -0.143 44.999 45.100 0.070 0.000 0.919 612 G HN 0.414 nan 8.290 nan 0.000 0.496 613 N N -0.657 118.087 118.700 0.074 0.000 2.405 613 N HA 0.377 5.120 4.740 0.005 0.000 0.285 613 N C -0.318 175.251 175.510 0.098 0.000 1.262 613 N CA -0.997 52.114 53.050 0.102 0.000 0.773 613 N CB 0.899 39.434 38.487 0.080 0.000 1.490 613 N HN 0.230 nan 8.380 nan 0.000 0.486 614 N N 0.344 119.121 118.700 0.129 0.000 2.458 614 N HA -0.042 4.701 4.740 0.005 0.000 0.258 614 N C -0.679 174.878 175.510 0.078 0.000 1.219 614 N CA 0.246 53.359 53.050 0.105 0.000 0.902 614 N CB 0.435 39.014 38.487 0.153 0.000 1.076 614 N HN 0.306 nan 8.380 nan 0.000 0.455 615 E N 1.961 122.195 120.200 0.057 0.000 2.480 615 E HA 0.029 4.382 4.350 0.005 0.000 0.258 615 E C 0.539 177.187 176.600 0.080 0.000 0.984 615 E CA 0.667 57.104 56.400 0.061 0.000 0.930 615 E CB 0.368 30.100 29.700 0.053 0.000 0.936 615 E HN 0.695 nan 8.360 nan 0.000 0.466 616 S N 2.562 118.313 115.700 0.086 0.000 3.790 616 S HA -0.310 4.163 4.470 0.005 0.000 0.628 616 S C 0.726 175.400 174.600 0.124 0.000 2.348 616 S CA 1.322 59.583 58.200 0.103 0.000 3.927 616 S CB -1.208 62.052 63.200 0.100 0.000 0.236 616 S HN 0.794 nan 8.310 nan 0.000 0.953 617 I N -0.107 120.550 120.570 0.145 0.000 3.884 617 I HA 0.521 4.694 4.170 0.005 0.000 0.330 617 I C 0.363 176.615 176.117 0.224 0.000 1.451 617 I CA -0.311 61.098 61.300 0.182 0.000 1.165 617 I CB 0.089 38.182 38.000 0.156 0.000 1.097 617 I HN 0.212 nan 8.210 nan 0.000 0.404 618 E N 3.099 123.397 120.200 0.165 0.000 2.349 618 E HA 0.345 4.698 4.350 0.005 0.000 0.265 618 E C -2.217 174.430 176.600 0.079 0.000 1.064 618 E CA -1.578 54.886 56.400 0.106 0.000 0.886 618 E CB 0.646 30.377 29.700 0.052 0.000 1.036 618 E HN 0.115 nan 8.360 nan 0.000 0.413 619 P HA -0.027 nan 4.420 nan 0.000 0.274 619 P C -0.417 176.786 177.300 -0.161 0.000 1.256 619 P CA -0.277 62.566 63.100 -0.428 0.000 0.795 619 P CB 0.166 31.265 31.700 -1.001 0.000 1.038 620 Y N 0.653 120.845 120.300 -0.179 0.000 2.805 620 Y HA -0.104 4.449 4.550 0.005 0.000 0.331 620 Y C 1.609 177.408 175.900 -0.168 0.000 1.241 620 Y CA 1.063 59.118 58.100 -0.076 0.000 1.546 620 Y CB -0.460 38.007 38.460 0.012 0.000 1.248 620 Y HN 0.329 nan 8.280 nan 0.000 0.559 621 T N 3.193 117.546 114.554 -0.334 0.000 2.668 621 T HA -0.012 4.341 4.350 0.005 0.000 0.262 621 T C 0.321 174.787 174.700 -0.389 0.000 1.045 621 T CA 1.587 63.472 62.100 -0.358 0.000 1.152 621 T CB -0.321 68.408 68.868 -0.231 0.000 0.864 621 T HN 0.731 nan 8.240 nan 0.000 0.419 622 S N -0.657 114.702 115.700 -0.569 0.000 2.683 622 S HA 0.298 4.771 4.470 0.005 0.000 0.269 622 S C -0.564 173.675 174.600 -0.601 0.000 1.165 622 S CA -0.938 56.994 58.200 -0.446 0.000 0.840 622 S CB 0.588 63.704 63.200 -0.139 0.000 1.169 622 S HN 0.145 nan 8.310 nan 0.000 0.490 623 N N 0.006 118.612 118.700 -0.157 0.000 2.383 623 N HA 0.344 5.087 4.740 0.005 0.000 0.192 623 N C -0.490 175.032 175.510 0.020 0.000 1.141 623 N CA 0.494 53.575 53.050 0.052 0.000 0.851 623 N CB -0.099 38.480 38.487 0.153 0.000 0.976 623 N HN 0.501 nan 8.380 nan 0.000 0.465 624 I N -0.776 119.771 120.570 -0.039 0.000 2.865 624 I HA 0.421 4.594 4.170 0.005 0.000 0.302 624 I C -0.589 175.507 176.117 -0.035 0.000 1.140 624 I CA -1.048 60.246 61.300 -0.009 0.000 1.021 624 I CB 1.721 39.722 38.000 0.001 0.000 1.233 624 I HN -0.120 nan 8.210 nan 0.000 0.427 636 I N 0.469 121.113 120.570 0.124 0.000 2.509 636 I HA 0.756 4.929 4.170 0.005 0.000 0.293 636 I C 0.278 176.438 176.117 0.071 0.000 1.020 636 I CA -1.368 59.993 61.300 0.101 0.000 1.088 636 I CB 2.482 40.586 38.000 0.174 0.000 1.267 636 I HN 0.343 nan 8.210 nan 0.000 0.430 637 V N 5.124 125.062 119.914 0.041 0.000 2.644 637 V HA 0.184 4.307 4.120 0.005 0.000 0.295 637 V C 0.531 176.644 176.094 0.032 0.000 1.053 637 V CA -0.767 61.549 62.300 0.027 0.000 0.987 637 V CB 1.526 33.352 31.823 0.005 0.000 1.006 637 V HN 0.775 nan 8.190 nan 0.000 0.472 638 N N 5.636 124.366 118.700 0.051 0.000 2.411 638 N HA 0.018 4.761 4.740 0.005 0.000 0.261 638 N C -1.512 174.002 175.510 0.006 0.000 1.248 638 N CA -0.911 52.187 53.050 0.081 0.000 0.885 638 N CB 1.528 40.171 38.487 0.259 0.000 1.062 638 N HN 0.381 nan 8.380 nan 0.000 0.471 639 P HA -0.128 nan 4.420 nan 0.000 0.222 639 P C 0.667 177.895 177.300 -0.120 0.000 1.147 639 P CA 1.314 64.332 63.100 -0.136 0.000 0.790 639 P CB 0.104 31.683 31.700 -0.202 0.000 0.780 640 H N -0.536 118.594 119.070 0.099 0.000 2.363 640 H HA -0.003 4.556 4.556 0.005 0.000 0.301 640 H C 2.072 177.448 175.328 0.079 0.000 1.074 640 H CA 0.770 56.899 56.048 0.136 0.000 1.354 640 H CB -0.906 29.000 29.762 0.240 0.000 1.397 640 H HN 0.075 nan 8.280 nan 0.000 0.516 641 L N 1.138 122.341 121.223 -0.033 0.000 2.046 641 L HA -0.095 4.248 4.340 0.005 0.000 0.208 641 L C 2.437 179.194 176.870 -0.189 0.000 1.077 641 L CA 1.136 55.674 54.840 -0.503 0.000 0.747 641 L CB -0.922 40.748 42.059 -0.648 0.000 0.896 641 L HN 0.126 nan 8.230 nan 0.000 0.432 642 L N 0.100 121.270 121.223 -0.089 0.000 1.971 642 L HA -0.284 4.059 4.340 0.005 0.000 0.215 642 L C 2.689 179.546 176.870 -0.022 0.000 1.072 642 L CA 2.581 57.392 54.840 -0.049 0.000 0.758 642 L CB -0.769 41.270 42.059 -0.033 0.000 0.889 642 L HN 0.433 nan 8.230 nan 0.000 0.433 643 K N -0.728 119.674 120.400 0.005 0.000 2.020 643 K HA -0.255 4.068 4.320 0.005 0.000 0.212 643 K C 1.810 178.432 176.600 0.037 0.000 1.050 643 K CA 2.231 58.533 56.287 0.026 0.000 0.929 643 K CB -0.341 32.192 32.500 0.054 0.000 0.714 643 K HN 0.452 nan 8.250 nan 0.000 0.443 644 D N 0.832 121.267 120.400 0.059 0.000 2.097 644 D HA -0.159 4.484 4.640 0.005 0.000 0.195 644 D C 2.024 178.343 176.300 0.031 0.000 0.989 644 D CA 1.008 55.049 54.000 0.069 0.000 0.827 644 D CB -0.208 40.675 40.800 0.137 0.000 0.966 644 D HN 0.253 nan 8.370 nan 0.000 0.456 645 L N 0.490 121.708 121.223 -0.008 0.000 2.131 645 L HA -0.137 4.206 4.340 0.005 0.000 0.210 645 L C 2.391 179.259 176.870 -0.004 0.000 1.092 645 L CA 0.965 55.796 54.840 -0.015 0.000 0.759 645 L CB -0.336 41.697 42.059 -0.043 0.000 0.903 645 L HN 0.064 nan 8.230 nan 0.000 0.435 646 T N -0.774 113.778 114.554 -0.002 0.000 2.701 646 T HA -0.170 4.183 4.350 0.005 0.000 0.263 646 T C 1.636 176.340 174.700 0.008 0.000 1.040 646 T CA 1.088 63.188 62.100 0.001 0.000 1.147 646 T CB -0.074 68.793 68.868 -0.002 0.000 0.865 646 T HN 0.353 nan 8.240 nan 0.000 0.426 647 E N 0.553 120.763 120.200 0.016 0.000 2.331 647 E HA -0.118 4.235 4.350 0.005 0.000 0.199 647 E C 2.171 178.784 176.600 0.021 0.000 1.008 647 E CA 0.627 57.040 56.400 0.021 0.000 0.843 647 E CB 0.091 29.811 29.700 0.033 0.000 0.761 647 E HN 0.326 nan 8.360 nan 0.000 0.507 648 R N -0.906 119.606 120.500 0.021 0.000 2.282 648 R HA 0.117 4.460 4.340 0.005 0.000 0.195 648 R C 1.102 177.410 176.300 0.013 0.000 0.909 648 R CA 0.730 56.842 56.100 0.020 0.000 1.039 648 R CB 0.651 30.966 30.300 0.025 0.000 1.015 648 R HN 0.146 nan 8.270 nan 0.000 0.513 649 G N 1.996 110.802 108.800 0.009 0.000 2.303 649 G HA2 -0.204 3.759 3.960 0.005 0.000 0.260 649 G HA3 -0.204 3.759 3.960 0.005 0.000 0.260 649 G C -0.262 174.640 174.900 0.004 0.000 1.106 649 G CA -0.010 45.093 45.100 0.005 0.000 0.900 649 G HN 0.149 nan 8.290 nan 0.000 0.495 665 S N -0.865 114.890 115.700 0.092 0.000 2.614 665 S HA 0.547 5.020 4.470 0.005 0.000 0.265 665 S C 1.338 175.993 174.600 0.093 0.000 1.303 665 S CA 0.030 58.298 58.200 0.113 0.000 1.000 665 S CB 0.502 63.769 63.200 0.111 0.000 0.935 665 S HN 1.257 nan 8.310 nan 0.000 0.551 666 I N 0.080 120.715 120.570 0.108 0.000 4.225 666 I HA 0.326 4.499 4.170 0.005 0.000 0.327 666 I C 1.064 177.227 176.117 0.077 0.000 1.422 666 I CA -0.403 60.946 61.300 0.082 0.000 1.150 666 I CB 0.209 38.255 38.000 0.077 0.000 1.192 666 I HN 0.377 nan 8.210 nan 0.000 0.440 667 Q N 1.939 121.790 119.800 0.084 0.000 2.364 667 Q HA -0.072 4.271 4.340 0.005 0.000 0.207 667 Q C 2.223 178.255 176.000 0.053 0.000 0.970 667 Q CA 1.726 57.572 55.803 0.072 0.000 0.888 667 Q CB -0.246 28.537 28.738 0.075 0.000 0.951 667 Q HN 0.788 nan 8.270 nan 0.000 0.469 668 S N -0.502 115.226 115.700 0.046 0.000 2.470 668 S HA 0.074 4.547 4.470 0.005 0.000 0.225 668 S C 1.074 175.692 174.600 0.029 0.000 1.006 668 S CA -0.166 58.054 58.200 0.034 0.000 0.934 668 S CB -0.095 63.123 63.200 0.029 0.000 0.778 668 S HN 0.220 nan 8.310 nan 0.000 0.517 669 I N 3.888 124.476 120.570 0.031 0.000 2.322 669 I HA 0.214 4.387 4.170 0.005 0.000 0.292 669 I C -1.307 174.825 176.117 0.025 0.000 1.060 669 I CA -2.085 59.230 61.300 0.025 0.000 1.309 669 I CB 1.321 39.334 38.000 0.022 0.000 1.415 669 I HN 0.088 nan 8.210 nan 0.000 0.492 670 P HA -0.136 nan 4.420 nan 0.000 0.217 670 P C 1.408 178.720 177.300 0.020 0.000 1.151 670 P CA 1.487 64.600 63.100 0.021 0.000 0.828 670 P CB 0.232 31.942 31.700 0.017 0.000 0.788 671 E N 1.269 121.479 120.200 0.017 0.000 2.065 671 E HA -0.184 4.169 4.350 0.005 0.000 0.201 671 E C 1.316 177.928 176.600 0.019 0.000 1.016 671 E CA 1.141 57.550 56.400 0.015 0.000 0.818 671 E CB -1.604 28.103 29.700 0.011 0.000 0.749 671 E HN 0.348 nan 8.360 nan 0.000 0.453 672 I N 2.131 122.714 120.570 0.022 0.000 2.668 672 I HA 0.123 4.296 4.170 0.005 0.000 0.285 672 I C -2.176 173.964 176.117 0.037 0.000 1.168 672 I CA -1.761 59.556 61.300 0.028 0.000 1.424 672 I CB 1.101 39.119 38.000 0.030 0.000 1.377 672 I HN 0.136 nan 8.210 nan 0.000 0.560 673 P HA 0.002 nan 4.420 nan 0.000 0.269 673 P C 0.027 177.358 177.300 0.051 0.000 1.215 673 P CA -0.122 63.004 63.100 0.042 0.000 0.780 673 P CB 0.514 32.239 31.700 0.042 0.000 0.898 674 D N 0.744 121.171 120.400 0.044 0.000 2.218 674 D HA -0.169 4.474 4.640 0.005 0.000 0.204 674 D C 1.347 177.678 176.300 0.051 0.000 0.976 674 D CA 1.108 55.136 54.000 0.046 0.000 0.853 674 D CB -0.388 40.434 40.800 0.036 0.000 0.939 674 D HN 0.471 nan 8.370 nan 0.000 0.481 675 D N 0.877 121.307 120.400 0.049 0.000 2.103 675 D HA -0.152 4.491 4.640 0.005 0.000 0.190 675 D C 2.054 178.395 176.300 0.067 0.000 0.997 675 D CA 0.959 54.988 54.000 0.049 0.000 0.833 675 D CB -0.272 40.557 40.800 0.048 0.000 0.961 675 D HN 0.180 nan 8.370 nan 0.000 0.447 676 L N -0.388 120.896 121.223 0.101 0.000 2.313 676 L HA 0.025 4.368 4.340 0.005 0.000 0.214 676 L C 2.511 179.509 176.870 0.214 0.000 1.119 676 L CA 0.498 55.451 54.840 0.187 0.000 0.809 676 L CB -0.145 42.038 42.059 0.206 0.000 0.933 676 L HN -0.029 nan 8.230 nan 0.000 0.449 677 K N -0.260 120.221 120.400 0.135 0.000 2.057 677 K HA -0.162 4.161 4.320 0.005 0.000 0.206 677 K C 2.204 178.872 176.600 0.113 0.000 1.050 677 K CA 1.071 57.434 56.287 0.128 0.000 0.935 677 K CB -0.037 32.516 32.500 0.088 0.000 0.715 677 K HN 0.308 nan 8.250 nan 0.000 0.439 678 Q N 0.450 120.295 119.800 0.075 0.000 2.084 678 Q HA -0.165 4.178 4.340 0.005 0.000 0.202 678 Q C 2.172 178.179 176.000 0.011 0.000 0.978 678 Q CA 1.014 56.845 55.803 0.045 0.000 0.844 678 Q CB -0.179 28.575 28.738 0.027 0.000 0.898 678 Q HN 0.198 nan 8.270 nan 0.000 0.426 679 L N -0.727 120.477 121.223 -0.032 0.000 2.141 679 L HA -0.130 4.213 4.340 0.005 0.000 0.209 679 L C 0.848 177.473 176.870 -0.408 0.000 1.094 679 L CA 1.686 56.383 54.840 -0.238 0.000 0.763 679 L CB -0.202 41.646 42.059 -0.351 0.000 0.908 679 L HN 0.162 nan 8.230 nan 0.000 0.437 680 Y N -0.753 119.522 120.300 -0.041 0.000 2.720 680 Y HA 0.276 4.829 4.550 0.005 0.000 0.268 680 Y C 0.563 176.544 175.900 0.135 0.000 1.142 680 Y CA -0.809 57.253 58.100 -0.064 0.000 1.193 680 Y CB -0.041 38.410 38.460 -0.016 0.000 1.176 680 Y HN -0.095 nan 8.280 nan 0.000 0.542 681 K N 1.477 121.992 120.400 0.190 0.000 2.524 681 K HA 0.025 4.348 4.320 0.005 0.000 0.279 681 K C 0.872 177.611 176.600 0.231 0.000 0.993 681 K CA 0.427 56.820 56.287 0.177 0.000 1.030 681 K CB 0.433 32.990 32.500 0.095 0.000 0.891 681 K HN 0.256 nan 8.250 nan 0.000 0.488 682 T N -1.523 113.131 114.554 0.167 0.000 2.824 682 T HA 0.068 4.421 4.350 0.005 0.000 0.277 682 T C 1.190 175.801 174.700 -0.148 0.000 0.975 682 T CA -0.949 61.178 62.100 0.047 0.000 0.966 682 T CB 1.283 70.186 68.868 0.058 0.000 1.054 682 T HN 0.274 nan 8.240 nan 0.000 0.533 683 V N 0.006 119.657 119.914 -0.440 0.000 2.720 683 V HA -0.030 4.093 4.120 0.005 0.000 0.256 683 V C 1.569 177.247 176.094 -0.694 0.000 1.082 683 V CA 1.233 63.086 62.300 -0.745 0.000 1.101 683 V CB -0.986 30.079 31.823 -1.263 0.000 0.693 683 V HN 0.887 nan 8.190 nan 0.000 0.479 684 W N 0.012 121.254 121.300 -0.097 0.000 2.800 684 W HA 0.065 4.728 4.660 0.005 0.000 0.249 684 W C 2.016 178.528 176.519 -0.012 0.000 1.294 684 W CA 0.478 57.808 57.345 -0.025 0.000 1.402 684 W CB 0.089 29.545 29.460 -0.006 0.000 1.126 684 W HN 0.292 nan 8.180 nan 0.000 0.652 685 E N -0.213 120.063 120.200 0.127 0.000 2.538 685 E HA 0.194 4.547 4.350 0.005 0.000 0.207 685 E C 0.057 176.680 176.600 0.040 0.000 1.002 685 E CA -0.113 56.348 56.400 0.101 0.000 0.952 685 E CB 0.501 30.267 29.700 0.110 0.000 1.031 685 E HN 0.162 nan 8.360 nan 0.000 0.476 686 I N 1.361 121.920 120.570 -0.019 0.000 2.412 686 I HA 0.078 4.251 4.170 0.005 0.000 0.296 686 I C 0.328 176.437 176.117 -0.012 0.000 0.987 686 I CA -0.696 60.579 61.300 -0.042 0.000 1.180 686 I CB 1.792 39.688 38.000 -0.174 0.000 1.340 686 I HN -0.081 nan 8.210 nan 0.000 0.455 687 S N 4.956 120.666 115.700 0.016 0.000 2.546 687 S HA -0.001 4.472 4.470 0.005 0.000 0.290 687 S C 0.929 175.544 174.600 0.025 0.000 1.290 687 S CA -0.167 58.045 58.200 0.020 0.000 1.069 687 S CB 0.698 63.908 63.200 0.016 0.000 0.846 687 S HN 0.556 nan 8.310 nan 0.000 0.495 688 Q N 4.093 123.908 119.800 0.024 0.000 2.269 688 Q HA 0.071 4.414 4.340 0.005 0.000 0.201 688 Q C 1.905 177.934 176.000 0.048 0.000 0.946 688 Q CA 0.986 56.816 55.803 0.045 0.000 0.877 688 Q CB -0.201 28.568 28.738 0.052 0.000 0.963 688 Q HN 0.748 nan 8.270 nan 0.000 0.472 689 K N 0.096 120.474 120.400 -0.036 0.000 2.044 689 K HA -0.134 4.189 4.320 0.005 0.000 0.210 689 K C 2.085 178.694 176.600 0.015 0.000 1.049 689 K CA 1.775 57.962 56.287 -0.166 0.000 0.927 689 K CB -0.167 32.128 32.500 -0.341 0.000 0.713 689 K HN 0.180 nan 8.250 nan 0.000 0.443 690 T N 1.396 115.980 114.554 0.050 0.000 2.652 690 T HA -0.134 4.219 4.350 0.005 0.000 0.267 690 T C 2.038 176.860 174.700 0.204 0.000 1.039 690 T CA 1.341 63.516 62.100 0.124 0.000 1.153 690 T CB -0.331 68.614 68.868 0.127 0.000 0.863 690 T HN -0.045 nan 8.240 nan 0.000 0.428 691 V N 1.444 121.494 119.914 0.228 0.000 2.278 691 V HA -0.218 3.905 4.120 0.005 0.000 0.251 691 V C 2.459 178.694 176.094 0.235 0.000 1.062 691 V CA 1.752 64.215 62.300 0.271 0.000 1.038 691 V CB -0.618 31.316 31.823 0.184 0.000 0.646 691 V HN 0.451 nan 8.190 nan 0.000 0.447 692 L N -0.947 120.423 121.223 0.245 0.000 2.093 692 L HA -0.155 4.188 4.340 0.005 0.000 0.208 692 L C 2.605 179.627 176.870 0.254 0.000 1.085 692 L CA 1.541 56.549 54.840 0.280 0.000 0.755 692 L CB -0.626 41.680 42.059 0.411 0.000 0.904 692 L HN 0.261 nan 8.230 nan 0.000 0.435 693 K N 0.349 120.933 120.400 0.306 0.000 2.009 693 K HA -0.202 4.121 4.320 0.005 0.000 0.210 693 K C 2.167 178.831 176.600 0.107 0.000 1.049 693 K CA 1.806 58.219 56.287 0.210 0.000 0.929 693 K CB -0.149 32.482 32.500 0.218 0.000 0.714 693 K HN 0.216 nan 8.250 nan 0.000 0.440 694 M N -0.022 119.643 119.600 0.108 0.000 2.202 694 M HA -0.173 4.310 4.480 0.005 0.000 0.262 694 M C 2.213 178.514 176.300 0.002 0.000 1.063 694 M CA 1.632 56.961 55.300 0.047 0.000 1.097 694 M CB -0.199 32.435 32.600 0.056 0.000 1.382 694 M HN 0.215 nan 8.290 nan 0.000 0.413 695 A N 0.231 123.077 122.820 0.043 0.000 1.898 695 A HA 0.023 4.346 4.320 0.005 0.000 0.216 695 A C 2.381 179.927 177.584 -0.065 0.000 1.181 695 A CA 1.690 53.722 52.037 -0.009 0.000 0.620 695 A CB -0.878 18.165 19.000 0.071 0.000 0.819 695 A HN 0.469 nan 8.150 nan 0.000 0.442 696 A N -0.206 122.614 122.820 -0.001 0.000 1.902 696 A HA -0.171 4.152 4.320 0.005 0.000 0.217 696 A C 1.925 179.338 177.584 -0.284 0.000 1.181 696 A CA 1.780 53.802 52.037 -0.026 0.000 0.623 696 A CB -0.546 18.512 19.000 0.097 0.000 0.818 696 A HN 0.604 nan 8.150 nan 0.000 0.443 697 E N -0.554 119.551 120.200 -0.158 0.000 2.051 697 E HA -0.238 4.115 4.350 0.005 0.000 0.192 697 E C 2.310 178.799 176.600 -0.185 0.000 0.991 697 E CA 1.623 57.931 56.400 -0.154 0.000 0.799 697 E CB -0.185 29.484 29.700 -0.051 0.000 0.748 697 E HN 0.767 nan 8.360 nan 0.000 0.449 698 R N 0.181 120.555 120.500 -0.210 0.000 2.148 698 R HA -0.015 4.328 4.340 0.005 0.000 0.227 698 R C 2.280 178.337 176.300 -0.404 0.000 1.103 698 R CA 1.357 57.283 56.100 -0.290 0.000 0.983 698 R CB -0.625 29.259 30.300 -0.693 0.000 0.874 698 R HN 0.127 nan 8.270 nan 0.000 0.451 699 G N 1.318 109.804 108.800 -0.522 0.000 2.505 699 G HA2 -0.355 3.608 3.960 0.005 0.000 0.220 699 G HA3 -0.355 3.608 3.960 0.005 0.000 0.220 699 G C 1.691 175.913 174.900 -1.131 0.000 1.145 699 G CA 1.050 45.758 45.100 -0.652 0.000 0.761 699 G HN 0.513 nan 8.290 nan 0.000 0.571 700 A N -0.087 121.750 122.820 -1.640 0.000 2.084 700 A HA 0.097 4.420 4.320 0.005 0.000 0.221 700 A C 1.503 178.321 177.584 -1.276 0.000 1.161 700 A CA 1.017 51.975 52.037 -1.798 0.000 0.653 700 A CB -0.401 17.845 19.000 -1.258 0.000 0.802 700 A HN 0.349 nan 8.150 nan 0.000 0.457 701 F N -0.889 118.766 119.950 -0.491 0.000 2.837 701 F HA 0.485 5.015 4.527 0.005 0.000 0.298 701 F C -0.176 175.331 175.800 -0.488 0.000 1.161 701 F CA -0.123 57.646 58.000 -0.385 0.000 1.353 701 F CB 0.298 39.271 39.000 -0.045 0.000 0.951 701 F HN -0.065 nan 8.300 nan 0.000 0.508 702 I N 0.733 121.055 120.570 -0.413 0.000 2.531 702 I HA 0.124 4.297 4.170 0.005 0.000 0.283 702 I C -0.121 175.898 176.117 -0.164 0.000 1.083 702 I CA -0.509 60.657 61.300 -0.223 0.000 1.071 702 I CB 1.547 39.468 38.000 -0.131 0.000 1.210 702 I HN -0.043 nan 8.210 nan 0.000 0.450 703 D N 3.698 124.016 120.400 -0.137 0.000 2.317 703 D HA -0.062 4.581 4.640 0.005 0.000 0.211 703 D C 0.725 177.033 176.300 0.012 0.000 0.966 703 D CA 0.939 54.918 54.000 -0.035 0.000 0.876 703 D CB 0.365 41.198 40.800 0.054 0.000 0.927 703 D HN 0.464 nan 8.370 nan 0.000 0.519 704 Q N -0.230 119.578 119.800 0.014 0.000 3.065 704 Q HA 0.428 4.771 4.340 0.005 0.000 0.207 704 Q C 0.207 176.225 176.000 0.030 0.000 1.165 704 Q CA -0.566 55.249 55.803 0.021 0.000 0.371 704 Q CB 0.398 29.146 28.738 0.017 0.000 5.665 704 Q HN 0.152 nan 8.270 nan 0.000 0.313 705 S N -1.231 114.484 115.700 0.025 0.000 2.998 705 S HA 0.372 4.845 4.470 0.005 0.000 0.321 705 S C -1.964 172.636 174.600 0.001 0.000 1.171 705 S CA -0.635 57.584 58.200 0.031 0.000 0.882 705 S CB 1.462 64.693 63.200 0.052 0.000 1.301 705 S HN 0.463 nan 8.310 nan 0.000 0.629 706 Q N 0.438 120.235 119.800 -0.004 0.000 2.309 706 Q HA 0.524 4.867 4.340 0.005 0.000 0.273 706 Q C -1.583 174.392 176.000 -0.042 0.000 1.040 706 Q CA -0.827 54.961 55.803 -0.025 0.000 0.834 706 Q CB 1.541 30.258 28.738 -0.034 0.000 1.345 706 Q HN 0.356 nan 8.270 nan 0.000 0.414 707 S N 2.456 118.105 115.700 -0.085 0.000 3.517 707 S HA 0.129 4.602 4.470 0.005 0.000 0.284 707 S C -0.357 174.259 174.600 0.026 0.000 1.260 707 S CA -0.392 57.699 58.200 -0.182 0.000 0.975 707 S CB -0.452 62.574 63.200 -0.290 0.000 1.540 707 S HN 0.476 nan 8.310 nan 0.000 0.506 708 L N 4.827 126.096 121.223 0.076 0.000 2.288 708 L HA 0.345 4.688 4.340 0.005 0.000 0.283 708 L C -0.163 176.811 176.870 0.174 0.000 1.072 708 L CA -0.300 54.618 54.840 0.131 0.000 0.862 708 L CB -0.131 41.997 42.059 0.114 0.000 1.245 708 L HN 0.281 nan 8.230 nan 0.000 0.432 709 N N 4.210 123.019 118.700 0.183 0.000 2.381 709 N HA 0.178 4.921 4.740 0.005 0.000 0.241 709 N C -0.608 174.933 175.510 0.052 0.000 1.279 709 N CA 0.133 53.231 53.050 0.080 0.000 0.896 709 N CB 0.934 39.414 38.487 -0.013 0.000 1.118 709 N HN 0.359 nan 8.380 nan 0.000 0.438 710 I N 1.265 121.815 120.570 -0.034 0.000 2.436 710 I HA 0.145 4.318 4.170 0.005 0.000 0.289 710 I C -0.569 175.472 176.117 -0.127 0.000 1.010 710 I CA -0.508 60.795 61.300 0.006 0.000 1.098 710 I CB 1.068 39.089 38.000 0.036 0.000 1.266 710 I HN 0.342 nan 8.210 nan 0.000 0.434 711 H N 6.556 125.591 119.070 -0.058 0.000 2.556 711 H HA 0.668 5.227 4.556 0.005 0.000 0.310 711 H C -0.622 174.775 175.328 0.115 0.000 1.057 711 H CA -0.205 55.797 56.048 -0.076 0.000 1.264 711 H CB 0.875 30.301 29.762 -0.560 0.000 1.404 711 H HN 0.370 nan 8.280 nan 0.000 0.462 712 I N 1.853 122.623 120.570 0.335 0.000 2.499 712 I HA 0.288 4.461 4.170 0.005 0.000 0.288 712 I C 0.904 177.214 176.117 0.321 0.000 1.048 712 I CA -0.748 60.732 61.300 0.301 0.000 1.062 712 I CB 2.253 40.341 38.000 0.146 0.000 1.238 712 I HN 0.707 nan 8.210 nan 0.000 0.426 713 A N 4.671 127.642 122.820 0.252 0.000 1.845 713 A HA -0.113 4.210 4.320 0.005 0.000 0.215 713 A C 1.134 178.711 177.584 -0.013 0.000 1.195 713 A CA 1.434 53.483 52.037 0.019 0.000 0.616 713 A CB -0.061 18.922 19.000 -0.027 0.000 0.832 713 A HN 0.774 nan 8.150 nan 0.000 0.443 714 E N 0.595 120.809 120.200 0.025 0.000 2.795 714 E HA 0.249 4.602 4.350 0.005 0.000 0.226 714 E C -2.868 173.756 176.600 0.041 0.000 1.088 714 E CA -2.336 54.074 56.400 0.016 0.000 0.812 714 E CB 1.048 30.753 29.700 0.008 0.000 1.328 714 E HN 0.260 nan 8.360 nan 0.000 0.410 715 P HA 0.037 nan 4.420 nan 0.000 0.267 715 P C -0.990 176.335 177.300 0.042 0.000 1.205 715 P CA 0.033 63.160 63.100 0.045 0.000 0.765 715 P CB 0.598 32.321 31.700 0.039 0.000 0.828 716 N N 1.463 120.196 118.700 0.055 0.000 2.629 716 N HA 0.110 4.853 4.740 0.005 0.000 0.279 716 N C 0.681 176.258 175.510 0.111 0.000 1.344 716 N CA -1.030 52.069 53.050 0.081 0.000 0.789 716 N CB 0.160 38.704 38.487 0.094 0.000 1.508 716 N HN 0.254 nan 8.380 nan 0.000 0.516 717 Y N 0.039 120.350 120.300 0.018 0.000 2.128 717 Y HA -0.054 4.499 4.550 0.005 0.000 0.284 717 Y C 2.127 178.101 175.900 0.122 0.000 1.154 717 Y CA 2.448 60.574 58.100 0.043 0.000 1.149 717 Y CB -0.664 37.807 38.460 0.018 0.000 0.976 717 Y HN 0.690 nan 8.280 nan 0.000 0.505 718 G N 0.388 109.406 108.800 0.363 0.000 2.514 718 G HA2 -0.312 3.651 3.960 0.005 0.000 0.217 718 G HA3 -0.312 3.651 3.960 0.005 0.000 0.217 718 G C 1.621 176.608 174.900 0.146 0.000 1.198 718 G CA 1.357 46.614 45.100 0.261 0.000 0.780 718 G HN 0.411 nan 8.290 nan 0.000 0.565 719 K N -0.087 120.377 120.400 0.106 0.000 2.097 719 K HA 0.131 4.454 4.320 0.005 0.000 0.205 719 K C 2.538 179.161 176.600 0.037 0.000 1.050 719 K CA 0.595 56.922 56.287 0.067 0.000 0.938 719 K CB -0.240 32.294 32.500 0.057 0.000 0.718 719 K HN 0.264 nan 8.250 nan 0.000 0.442 720 L N 0.669 121.899 121.223 0.012 0.000 2.072 720 L HA -0.130 4.213 4.340 0.005 0.000 0.205 720 L C 2.344 179.270 176.870 0.095 0.000 1.079 720 L CA 1.186 55.986 54.840 -0.066 0.000 0.752 720 L CB -0.808 41.221 42.059 -0.051 0.000 0.906 720 L HN 0.227 nan 8.230 nan 0.000 0.436 721 T N -0.103 114.582 114.554 0.219 0.000 2.652 721 T HA -0.195 4.158 4.350 0.005 0.000 0.267 721 T C 2.108 177.091 174.700 0.471 0.000 1.039 721 T CA 1.930 64.328 62.100 0.497 0.000 1.153 721 T CB -0.291 68.721 68.868 0.239 0.000 0.863 721 T HN 0.514 nan 8.240 nan 0.000 0.428 722 S N 2.061 117.916 115.700 0.258 0.000 2.368 722 S HA -0.074 4.399 4.470 0.005 0.000 0.225 722 S C 2.082 176.843 174.600 0.269 0.000 1.030 722 S CA 1.031 59.374 58.200 0.238 0.000 0.999 722 S CB -0.629 62.648 63.200 0.130 0.000 0.844 722 S HN 0.264 nan 8.310 nan 0.000 0.459 723 M N 2.230 121.922 119.600 0.153 0.000 2.073 723 M HA -0.173 4.310 4.480 0.005 0.000 0.258 723 M C 2.083 178.504 176.300 0.203 0.000 1.070 723 M CA 1.949 57.313 55.300 0.106 0.000 1.103 723 M CB -1.321 31.246 32.600 -0.054 0.000 1.321 723 M HN 0.389 nan 8.290 nan 0.000 0.405 724 H N -0.871 118.395 119.070 0.325 0.000 2.293 724 H HA -0.112 4.447 4.556 0.005 0.000 0.300 724 H C 2.131 177.598 175.328 0.231 0.000 1.082 724 H CA 1.930 58.164 56.048 0.310 0.000 1.308 724 H CB -0.993 28.990 29.762 0.368 0.000 1.375 724 H HN 0.413 nan 8.280 nan 0.000 0.495 725 F N 0.053 120.242 119.950 0.400 0.000 2.216 725 F HA -0.218 4.313 4.527 0.005 0.000 0.300 725 F C 2.668 178.639 175.800 0.286 0.000 1.085 725 F CA 1.086 59.270 58.000 0.305 0.000 1.326 725 F CB -0.608 38.493 39.000 0.168 0.000 1.027 725 F HN 0.105 nan 8.300 nan 0.000 0.497 726 Y N 0.526 121.008 120.300 0.303 0.000 2.242 726 Y HA -0.075 4.478 4.550 0.005 0.000 0.291 726 Y C 2.418 178.404 175.900 0.143 0.000 1.137 726 Y CA 1.441 59.649 58.100 0.180 0.000 1.181 726 Y CB -0.857 37.689 38.460 0.143 0.000 0.989 726 Y HN -0.011 nan 8.280 nan 0.000 0.527 727 G N -0.847 108.103 108.800 0.251 0.000 2.402 727 G HA2 -0.321 3.642 3.960 0.005 0.000 0.216 727 G HA3 -0.321 3.642 3.960 0.005 0.000 0.216 727 G C 1.400 176.345 174.900 0.074 0.000 1.162 727 G CA 0.690 45.900 45.100 0.185 0.000 0.777 727 G HN 0.651 nan 8.290 nan 0.000 0.539 728 W N 1.533 122.700 121.300 -0.221 0.000 2.355 728 W HA 0.026 4.689 4.660 0.005 0.000 0.309 728 W C 2.429 178.711 176.519 -0.394 0.000 1.206 728 W CA 1.568 58.520 57.345 -0.654 0.000 1.284 728 W CB -0.119 28.696 29.460 -1.076 0.000 1.145 728 W HN 0.127 nan 8.180 nan 0.000 0.502 729 K N -0.243 119.877 120.400 -0.468 0.000 2.211 729 K HA -0.195 4.128 4.320 0.005 0.000 0.203 729 K C 1.976 178.281 176.600 -0.492 0.000 1.050 729 K CA 1.408 57.308 56.287 -0.645 0.000 0.945 729 K CB -0.235 32.051 32.500 -0.356 0.000 0.732 729 K HN 0.077 nan 8.250 nan 0.000 0.451 730 Q N -0.622 118.927 119.800 -0.418 0.000 2.435 730 Q HA -0.007 4.336 4.340 0.005 0.000 0.207 730 Q C 0.706 176.614 176.000 -0.154 0.000 0.956 730 Q CA 1.137 56.750 55.803 -0.318 0.000 0.917 730 Q CB 0.594 29.106 28.738 -0.376 0.000 0.997 730 Q HN 0.414 nan 8.270 nan 0.000 0.497 731 G N -1.007 107.642 108.800 -0.253 0.000 2.168 731 G HA2 -0.204 3.759 3.960 0.005 0.000 0.197 731 G HA3 -0.204 3.759 3.960 0.005 0.000 0.197 731 G C -0.251 174.497 174.900 -0.255 0.000 0.997 731 G CA -0.070 44.814 45.100 -0.360 0.000 0.658 731 G HN 0.225 nan 8.290 nan 0.000 0.513 732 L N 0.491 121.727 121.223 0.022 0.000 2.485 732 L HA 0.213 4.556 4.340 0.005 0.000 0.275 732 L C 1.963 178.935 176.870 0.169 0.000 1.207 732 L CA 0.191 55.143 54.840 0.186 0.000 0.855 732 L CB 0.533 42.744 42.059 0.253 0.000 1.114 732 L HN 0.137 nan 8.230 nan 0.000 0.485 733 K N 0.776 121.259 120.400 0.139 0.000 2.044 733 K HA 0.020 4.343 4.320 0.005 0.000 0.204 733 K C 0.234 176.886 176.600 0.088 0.000 1.049 733 K CA 0.948 57.280 56.287 0.075 0.000 0.945 733 K CB 0.069 32.605 32.500 0.059 0.000 0.724 733 K HN 0.569 nan 8.250 nan 0.000 0.440 734 T N 0.219 114.839 114.554 0.110 0.000 2.788 734 T HA 0.217 4.570 4.350 0.005 0.000 0.296 734 T C 0.736 175.515 174.700 0.132 0.000 1.009 734 T CA -0.604 61.542 62.100 0.077 0.000 0.949 734 T CB 1.700 70.608 68.868 0.067 0.000 0.946 734 T HN 0.296 nan 8.240 nan 0.000 0.453 735 G N 2.632 111.505 108.800 0.121 0.000 2.464 735 G HA2 0.206 4.169 3.960 0.005 0.000 0.217 735 G HA3 0.206 4.169 3.960 0.005 0.000 0.217 735 G C 0.269 175.306 174.900 0.228 0.000 1.138 735 G CA 0.287 45.561 45.100 0.290 0.000 0.793 735 G HN 0.588 nan 8.290 nan 0.000 0.539 736 M N -1.532 118.162 119.600 0.158 0.000 2.346 736 M HA 0.360 4.843 4.480 0.005 0.000 0.287 736 M C -0.969 175.413 176.300 0.136 0.000 1.100 736 M CA -0.905 54.492 55.300 0.161 0.000 0.950 736 M CB 1.287 34.011 32.600 0.207 0.000 1.815 736 M HN 0.045 nan 8.290 nan 0.000 0.497 737 Y N 4.235 124.481 120.300 -0.089 0.000 2.762 737 Y HA 0.406 4.960 4.550 0.005 0.000 0.218 737 Y C -0.815 174.883 175.900 -0.338 0.000 0.960 737 Y CA 0.671 58.552 58.100 -0.365 0.000 1.070 737 Y CB -0.229 38.052 38.460 -0.298 0.000 1.045 737 Y HN 0.592 nan 8.280 nan 0.000 0.466 738 Y N 0.869 120.871 120.300 -0.497 0.000 2.304 738 Y HA 0.346 4.899 4.550 0.005 0.000 0.327 738 Y C -0.350 175.476 175.900 -0.124 0.000 1.209 738 Y CA -0.465 57.464 58.100 -0.286 0.000 1.299 738 Y CB 0.827 39.043 38.460 -0.407 0.000 1.249 738 Y HN 0.192 nan 8.280 nan 0.000 0.519 739 L N 4.453 125.747 121.223 0.120 0.000 2.260 739 L HA 0.423 4.766 4.340 0.005 0.000 0.289 739 L C -0.592 176.318 176.870 0.065 0.000 1.057 739 L CA -0.211 54.670 54.840 0.068 0.000 0.811 739 L CB 0.191 42.294 42.059 0.075 0.000 1.184 739 L HN 0.543 nan 8.230 nan 0.000 0.429 740 R N 2.723 123.194 120.500 -0.048 0.000 2.407 740 R HA 0.759 5.102 4.340 0.005 0.000 0.303 740 R C -0.358 176.082 176.300 0.235 0.000 0.981 740 R CA 0.045 56.137 56.100 -0.014 0.000 0.905 740 R CB 1.451 31.565 30.300 -0.310 0.000 1.099 740 R HN 0.868 nan 8.270 nan 0.000 0.459 741 T N -0.760 113.964 114.554 0.283 0.000 2.754 741 T HA 0.548 4.901 4.350 0.005 0.000 0.296 741 T C -0.400 174.317 174.700 0.029 0.000 1.205 741 T CA -1.129 61.091 62.100 0.200 0.000 1.009 741 T CB 1.517 70.431 68.868 0.077 0.000 1.368 741 T HN 0.250 nan 8.240 nan 0.000 0.509 742 R N 0.000 120.374 120.500 -0.210 0.000 2.786 742 R HA 0.000 4.343 4.340 0.005 0.000 0.208 742 R CA 0.000 55.953 56.100 -0.245 0.000 0.921 742 R CB 0.000 30.045 30.300 -0.426 0.000 0.687 742 R HN 0.000 nan 8.270 nan 0.000 0.535