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 1e9s_1_I DATA FIRST_RESID 72 DATA SEQUENCE NSVGQGEFGG APFKRFLRGT RIVSGGKLKR MTREKAKQVT VAGVPMPRDA DATA SEQUENCE EPRHLLVNGA TGTGKSVLLR ELAYTGLLRG DRMVIVDPNG DMLSKFGRDK DATA SEQUENCE DIILNPYDQR TKGWSFFNEI RNDYDWQRYA LSVVPRGKTD EAEEWASYGR DATA SEQUENCE LLLRETAKKL ALIGTPSMRE LFHWTTIATF DDLRGFLEGT LAESLFAGSN DATA SEQUENCE EASKALTSAR FVLSDKLPEH VTMPDGDFSI RSWLEDPNGG NLFITWREDM DATA SEQUENCE GPALRPLISA WVDVVCTSIL SLPEEPKRRL WLFIDELASL EKLASLADAL DATA SEQUENCE TKGRKAGLRV VAGLQSTSQL DDVYGVKEAQ TLRASFRSLV VLGGSRTDPK DATA SEQUENCE TNEDMSLSLG EHEVERDRYS XXXXXXXXXX RALERVRERV VMPAEIANLP DATA SEQUENCE DLTAYVGFAG NRPIAKVPLE IKQFANRQPA FVEG 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 72 N HA 0.000 nan 4.740 nan 0.000 0.220 72 N C 0.000 175.488 175.510 -0.037 0.000 1.280 72 N CA 0.000 53.075 53.050 0.042 0.000 0.885 72 N CB 0.000 38.524 38.487 0.062 0.000 1.341 73 S N -1.079 114.587 115.700 -0.058 0.000 2.377 73 S HA 0.086 4.558 4.470 0.004 0.000 0.223 73 S C 0.946 175.448 174.600 -0.164 0.000 1.030 73 S CA 0.305 58.456 58.200 -0.082 0.000 0.970 73 S CB 0.427 63.597 63.200 -0.050 0.000 0.830 73 S HN 0.137 nan 8.310 nan 0.000 0.473 74 V N 1.111 120.848 119.914 -0.295 0.000 2.881 74 V HA 0.556 4.679 4.120 0.004 0.000 0.303 74 V C 1.477 177.095 176.094 -0.794 0.000 1.070 74 V CA 0.657 62.648 62.300 -0.515 0.000 1.074 74 V CB 0.506 31.966 31.823 -0.605 0.000 1.012 74 V HN 0.595 nan 8.190 nan 0.000 0.482 75 G N 1.634 110.130 108.800 -0.507 0.000 2.232 75 G HA2 -0.186 3.776 3.960 0.004 0.000 0.226 75 G HA3 -0.186 3.776 3.960 0.004 0.000 0.226 75 G C 0.233 175.158 174.900 0.043 0.000 0.996 75 G CA -0.287 44.729 45.100 -0.140 0.000 0.626 75 G HN 0.585 nan 8.290 nan 0.000 0.509 76 Q N 0.973 120.748 119.800 -0.042 0.000 2.388 76 Q HA 0.319 4.661 4.340 0.004 0.000 0.302 76 Q C 1.608 177.623 176.000 0.025 0.000 1.149 76 Q CA 1.850 57.649 55.803 -0.006 0.000 1.014 76 Q CB -0.025 28.694 28.738 -0.031 0.000 1.072 76 Q HN 1.693 nan 8.270 nan 0.000 0.395 77 G N 3.604 112.428 108.800 0.040 0.000 2.640 77 G HA2 -0.416 3.546 3.960 0.004 0.000 0.226 77 G HA3 -0.416 3.546 3.960 0.004 0.000 0.226 77 G C 1.000 175.944 174.900 0.075 0.000 1.222 77 G CA 0.451 45.575 45.100 0.041 0.000 0.729 77 G HN 0.561 nan 8.290 nan 0.000 0.516 78 E N -0.021 120.247 120.200 0.112 0.000 1.998 78 E HA 0.120 4.472 4.350 0.004 0.000 0.196 78 E C 1.157 177.918 176.600 0.268 0.000 1.003 78 E CA 0.866 57.366 56.400 0.167 0.000 0.829 78 E CB -0.008 29.796 29.700 0.174 0.000 0.777 78 E HN 0.425 nan 8.360 nan 0.000 0.460 79 F N 1.270 121.320 119.950 0.166 0.000 2.529 79 F HA 0.216 4.746 4.527 0.004 0.000 0.365 79 F C 1.263 177.156 175.800 0.155 0.000 1.102 79 F CA -0.395 57.731 58.000 0.211 0.000 1.271 79 F CB 1.218 40.443 39.000 0.375 0.000 1.120 79 F HN -0.023 nan 8.300 nan 0.000 0.579 80 G N 3.611 112.107 108.800 -0.507 0.000 2.880 80 G HA2 0.247 4.209 3.960 0.004 0.000 0.209 80 G HA3 0.247 4.209 3.960 0.004 0.000 0.209 80 G C 0.699 175.199 174.900 -0.667 0.000 1.157 80 G CA 0.395 45.226 45.100 -0.449 0.000 0.779 80 G HN 0.989 nan 8.290 nan 0.000 0.539 81 G N -0.095 107.825 108.800 -1.465 0.000 2.695 81 G HA2 0.539 4.502 3.960 0.004 0.000 0.213 81 G HA3 0.539 4.502 3.960 0.004 0.000 0.213 81 G C 0.087 174.905 174.900 -0.137 0.000 1.406 81 G CA 0.038 44.719 45.100 -0.698 0.000 1.049 81 G HN 0.467 nan 8.290 nan 0.000 0.573 82 A N 0.236 123.155 122.820 0.164 0.000 2.440 82 A HA 0.610 4.932 4.320 0.004 0.000 0.251 82 A C -2.114 175.711 177.584 0.402 0.000 1.089 82 A CA -0.797 51.372 52.037 0.221 0.000 0.779 82 A CB -0.019 19.094 19.000 0.189 0.000 1.022 82 A HN 0.374 nan 8.150 nan 0.000 0.492 83 P HA 0.353 nan 4.420 nan 0.000 0.270 83 P C -0.715 176.756 177.300 0.284 0.000 1.223 83 P CA 0.319 63.550 63.100 0.217 0.000 0.785 83 P CB 0.262 31.990 31.700 0.047 0.000 0.923 84 F N -1.158 118.868 119.950 0.127 0.000 2.620 84 F HA 0.641 5.170 4.527 0.004 0.000 0.320 84 F C 1.134 176.973 175.800 0.065 0.000 1.069 84 F CA -1.240 56.807 58.000 0.080 0.000 0.953 84 F CB 1.188 40.204 39.000 0.027 0.000 1.322 84 F HN 0.114 nan 8.300 nan 0.000 0.479 85 K N 0.152 120.702 120.400 0.249 0.000 2.005 85 K HA 0.183 4.506 4.320 0.004 0.000 0.206 85 K C 0.232 176.947 176.600 0.192 0.000 1.044 85 K CA 0.773 57.149 56.287 0.148 0.000 0.942 85 K CB 0.215 32.794 32.500 0.131 0.000 0.727 85 K HN 0.746 nan 8.250 nan 0.000 0.439 86 R N -0.229 120.442 120.500 0.285 0.000 2.686 86 R HA 0.194 4.537 4.340 0.004 0.000 0.283 86 R C -1.762 174.728 176.300 0.316 0.000 0.978 86 R CA -0.711 55.557 56.100 0.279 0.000 0.897 86 R CB 1.215 31.595 30.300 0.133 0.000 1.192 86 R HN 0.027 nan 8.270 nan 0.000 0.457 87 F N 5.542 125.594 119.950 0.169 0.000 2.391 87 F HA 0.283 4.812 4.527 0.004 0.000 0.359 87 F C -0.030 175.725 175.800 -0.075 0.000 1.122 87 F CA -0.458 57.517 58.000 -0.041 0.000 1.120 87 F CB 0.695 39.757 39.000 0.103 0.000 1.142 87 F HN 0.501 nan 8.300 nan 0.000 0.483 88 L N 5.013 125.823 121.223 -0.689 0.000 2.116 88 L HA 0.242 4.585 4.340 0.004 0.000 0.200 88 L C 0.640 177.112 176.870 -0.663 0.000 1.084 88 L CA 0.425 54.968 54.840 -0.496 0.000 0.766 88 L CB -0.283 41.558 42.059 -0.363 0.000 0.930 88 L HN 0.638 nan 8.230 nan 0.000 0.453 89 R N -1.588 118.351 120.500 -0.935 0.000 2.762 89 R HA 0.654 4.997 4.340 0.004 0.000 0.271 89 R C -0.393 175.600 176.300 -0.512 0.000 1.038 89 R CA -0.292 55.451 56.100 -0.595 0.000 0.906 89 R CB 1.061 31.212 30.300 -0.248 0.000 1.259 89 R HN 0.148 nan 8.270 nan 0.000 0.457 90 G N 0.100 108.839 108.800 -0.100 0.000 2.445 90 G HA2 -0.143 3.819 3.960 0.004 0.000 0.212 90 G HA3 -0.143 3.819 3.960 0.004 0.000 0.212 90 G C -0.991 174.047 174.900 0.229 0.000 1.217 90 G CA -0.319 44.801 45.100 0.034 0.000 1.002 90 G HN 0.731 nan 8.290 nan 0.000 0.574 91 T N 1.938 116.614 114.554 0.203 0.000 2.817 91 T HA 0.580 4.933 4.350 0.004 0.000 0.293 91 T C 0.671 175.555 174.700 0.306 0.000 0.964 91 T CA -0.013 62.204 62.100 0.195 0.000 1.085 91 T CB 0.886 69.797 68.868 0.072 0.000 0.921 91 T HN 0.610 nan 8.240 nan 0.000 0.502 92 R N 2.231 122.835 120.500 0.172 0.000 2.368 92 R HA 0.608 4.950 4.340 0.004 0.000 0.302 92 R C -0.393 175.941 176.300 0.058 0.000 1.002 92 R CA -0.609 55.492 56.100 0.001 0.000 0.929 92 R CB 1.240 31.389 30.300 -0.253 0.000 1.073 92 R HN 0.598 nan 8.270 nan 0.000 0.464 93 I N 2.904 123.537 120.570 0.106 0.000 2.433 93 I HA 0.400 4.573 4.170 0.004 0.000 0.292 93 I C -1.063 175.130 176.117 0.126 0.000 1.001 93 I CA -0.817 60.569 61.300 0.144 0.000 1.119 93 I CB 1.458 39.597 38.000 0.232 0.000 1.289 93 I HN 0.290 nan 8.210 nan 0.000 0.438 94 V N 5.365 125.340 119.914 0.101 0.000 3.113 94 V HA 0.508 4.630 4.120 0.004 0.000 0.316 94 V C -0.098 176.044 176.094 0.080 0.000 1.125 94 V CA -0.506 61.839 62.300 0.075 0.000 1.026 94 V CB 2.580 34.431 31.823 0.047 0.000 1.080 94 V HN 0.875 nan 8.190 nan 0.000 0.444 95 S N 1.117 116.853 115.700 0.060 0.000 2.580 95 S HA 0.290 4.763 4.470 0.004 0.000 0.274 95 S C 1.378 176.004 174.600 0.043 0.000 1.329 95 S CA 0.130 58.359 58.200 0.048 0.000 1.036 95 S CB 1.204 64.425 63.200 0.034 0.000 0.919 95 S HN 1.209 nan 8.310 nan 0.000 0.515 96 G N 2.032 110.850 108.800 0.030 0.000 2.513 96 G HA2 -0.163 3.800 3.960 0.004 0.000 0.219 96 G HA3 -0.163 3.800 3.960 0.004 0.000 0.219 96 G C 1.354 176.279 174.900 0.042 0.000 1.160 96 G CA 0.817 45.936 45.100 0.031 0.000 0.767 96 G HN 1.041 nan 8.290 nan 0.000 0.571 97 G N 0.458 109.277 108.800 0.032 0.000 2.446 97 G HA2 -0.263 3.699 3.960 0.004 0.000 0.217 97 G HA3 -0.263 3.699 3.960 0.004 0.000 0.217 97 G C 1.705 176.627 174.900 0.036 0.000 1.168 97 G CA 1.373 46.492 45.100 0.032 0.000 0.771 97 G HN 0.556 nan 8.290 nan 0.000 0.551 98 K N -0.253 120.168 120.400 0.035 0.000 2.147 98 K HA -0.012 4.311 4.320 0.004 0.000 0.205 98 K C 2.411 179.040 176.600 0.047 0.000 1.049 98 K CA 1.039 57.346 56.287 0.034 0.000 0.936 98 K CB -0.212 32.304 32.500 0.027 0.000 0.722 98 K HN 0.272 nan 8.250 nan 0.000 0.446 99 L N 1.787 123.049 121.223 0.064 0.000 2.027 99 L HA -0.148 4.194 4.340 0.004 0.000 0.206 99 L C 1.799 178.732 176.870 0.104 0.000 1.074 99 L CA 1.823 56.721 54.840 0.097 0.000 0.745 99 L CB -0.329 41.802 42.059 0.119 0.000 0.898 99 L HN 0.049 nan 8.230 nan 0.000 0.433 100 K N -0.619 119.837 120.400 0.093 0.000 2.160 100 K HA -0.208 4.114 4.320 0.004 0.000 0.206 100 K C 2.111 178.744 176.600 0.055 0.000 1.047 100 K CA 1.843 58.180 56.287 0.083 0.000 0.930 100 K CB -0.240 32.300 32.500 0.067 0.000 0.720 100 K HN 0.398 nan 8.250 nan 0.000 0.450 101 R N 0.146 120.674 120.500 0.045 0.000 2.093 101 R HA 0.058 4.400 4.340 0.004 0.000 0.224 101 R C 2.301 178.618 176.300 0.027 0.000 1.101 101 R CA 1.104 57.222 56.100 0.030 0.000 0.979 101 R CB -0.130 30.185 30.300 0.025 0.000 0.877 101 R HN 0.174 nan 8.270 nan 0.000 0.441 102 M N 0.115 119.738 119.600 0.037 0.000 2.156 102 M HA -0.082 4.400 4.480 0.004 0.000 0.264 102 M C 2.174 178.486 176.300 0.020 0.000 1.067 102 M CA 1.876 57.194 55.300 0.031 0.000 1.131 102 M CB -0.262 32.365 32.600 0.045 0.000 1.368 102 M HN 0.200 nan 8.290 nan 0.000 0.416 103 T N -0.838 113.732 114.554 0.027 0.000 3.088 103 T HA 0.015 4.367 4.350 0.004 0.000 0.259 103 T C 0.809 175.484 174.700 -0.040 0.000 1.122 103 T CA -0.352 61.730 62.100 -0.031 0.000 1.095 103 T CB -0.605 68.225 68.868 -0.063 0.000 0.930 103 T HN 0.439 nan 8.240 nan 0.000 0.508 104 R N 1.049 121.544 120.500 -0.007 0.000 2.522 104 R HA 0.382 4.724 4.340 0.004 0.000 0.284 104 R C -0.210 176.081 176.300 -0.016 0.000 1.032 104 R CA -0.201 55.895 56.100 -0.007 0.000 1.049 104 R CB 0.292 30.597 30.300 0.007 0.000 0.956 104 R HN 0.434 nan 8.270 nan 0.000 0.422 105 E N 1.536 121.725 120.200 -0.019 0.000 2.393 105 E HA 0.122 4.474 4.350 0.004 0.000 0.273 105 E C 0.118 176.711 176.600 -0.012 0.000 0.918 105 E CA -1.061 55.327 56.400 -0.019 0.000 0.773 105 E CB 1.235 30.916 29.700 -0.032 0.000 1.275 105 E HN 0.725 nan 8.360 nan 0.000 0.451 106 K N 0.563 120.957 120.400 -0.010 0.000 2.063 106 K HA -0.020 4.302 4.320 0.004 0.000 0.208 106 K C 0.714 177.311 176.600 -0.006 0.000 1.048 106 K CA 0.931 57.215 56.287 -0.006 0.000 0.928 106 K CB -0.899 31.598 32.500 -0.006 0.000 0.713 106 K HN 0.340 nan 8.250 nan 0.000 0.442 107 A N 2.317 125.132 122.820 -0.008 0.000 2.406 107 A HA 0.123 4.445 4.320 0.004 0.000 0.243 107 A C -0.150 177.433 177.584 -0.003 0.000 1.082 107 A CA -0.341 51.693 52.037 -0.006 0.000 0.786 107 A CB 0.095 19.090 19.000 -0.008 0.000 1.029 107 A HN 0.243 nan 8.150 nan 0.000 0.495 108 K N 1.662 122.062 120.400 0.001 0.000 2.436 108 K HA 0.067 4.389 4.320 0.004 0.000 0.282 108 K C 0.076 176.680 176.600 0.007 0.000 1.044 108 K CA 0.585 56.873 56.287 0.001 0.000 1.028 108 K CB 0.252 32.753 32.500 0.001 0.000 0.919 108 K HN 0.730 nan 8.250 nan 0.000 0.474 109 Q N 0.866 120.668 119.800 0.003 0.000 2.333 109 Q HA 0.510 4.852 4.340 0.004 0.000 0.266 109 Q C -0.802 175.203 176.000 0.007 0.000 1.053 109 Q CA -0.873 54.935 55.803 0.008 0.000 0.890 109 Q CB 2.267 30.999 28.738 -0.009 0.000 1.337 109 Q HN 0.338 nan 8.270 nan 0.000 0.474 110 V N 0.028 119.954 119.914 0.020 0.000 3.019 110 V HA 0.676 4.798 4.120 0.004 0.000 0.317 110 V C -0.917 175.190 176.094 0.021 0.000 1.094 110 V CA -0.253 62.042 62.300 -0.010 0.000 1.000 110 V CB 2.232 34.037 31.823 -0.031 0.000 1.060 110 V HN 0.989 nan 8.190 nan 0.000 0.443 111 T N 1.294 115.867 114.554 0.031 0.000 2.887 111 T HA 0.752 5.104 4.350 0.004 0.000 0.288 111 T C -1.089 173.689 174.700 0.130 0.000 1.021 111 T CA -0.656 61.499 62.100 0.092 0.000 1.000 111 T CB 1.582 70.507 68.868 0.096 0.000 1.034 111 T HN 0.519 nan 8.240 nan 0.000 0.467 112 V N 2.433 122.471 119.914 0.207 0.000 2.350 112 V HA 0.664 4.786 4.120 0.004 0.000 0.285 112 V C 0.859 177.046 176.094 0.156 0.000 1.014 112 V CA -0.226 62.201 62.300 0.211 0.000 0.831 112 V CB 0.171 32.196 31.823 0.335 0.000 1.000 112 V HN 1.631 nan 8.190 nan 0.000 0.433 113 A N 4.111 126.995 122.820 0.108 0.000 2.783 113 A HA -0.002 4.320 4.320 0.004 0.000 0.292 113 A C 1.835 179.466 177.584 0.078 0.000 1.495 113 A CA 1.406 53.487 52.037 0.072 0.000 0.787 113 A CB -1.524 17.496 19.000 0.033 0.000 1.017 113 A HN 2.573 nan 8.150 nan 0.000 0.516 114 G N -3.759 105.100 108.800 0.098 0.000 2.253 114 G HA2 -0.075 3.887 3.960 0.004 0.000 0.251 114 G HA3 -0.075 3.887 3.960 0.004 0.000 0.251 114 G C 0.444 175.409 174.900 0.109 0.000 0.998 114 G CA 0.481 45.635 45.100 0.091 0.000 0.621 114 G HN 1.878 nan 8.290 nan 0.000 0.524 115 V N 3.593 123.601 119.914 0.155 0.000 2.461 115 V HA 0.467 4.589 4.120 0.004 0.000 0.275 115 V C -1.409 174.816 176.094 0.217 0.000 1.047 115 V CA -1.414 61.014 62.300 0.214 0.000 0.955 115 V CB 1.464 33.492 31.823 0.340 0.000 0.988 115 V HN 0.254 nan 8.190 nan 0.000 0.471 116 P HA 0.116 nan 4.420 nan 0.000 0.276 116 P C -0.417 176.812 177.300 -0.119 0.000 1.243 116 P CA -0.294 62.822 63.100 0.027 0.000 0.768 116 P CB 0.750 32.455 31.700 0.007 0.000 0.856 117 M N 6.433 125.939 119.600 -0.157 0.000 2.188 117 M HA 0.278 4.761 4.480 0.004 0.000 0.354 117 M C -2.337 173.732 176.300 -0.384 0.000 1.342 117 M CA -1.988 53.032 55.300 -0.467 0.000 1.117 117 M CB 0.443 32.980 32.600 -0.105 0.000 1.670 117 M HN 0.113 nan 8.290 nan 0.000 0.466 118 P HA -0.019 nan 4.420 nan 0.000 0.264 118 P C -0.069 177.136 177.300 -0.159 0.000 1.183 118 P CA -0.067 62.865 63.100 -0.280 0.000 0.763 118 P CB 0.458 31.995 31.700 -0.271 0.000 0.807 119 R N 3.149 123.592 120.500 -0.096 0.000 2.083 119 R HA -0.166 4.176 4.340 0.004 0.000 0.237 119 R C 1.485 177.743 176.300 -0.070 0.000 1.137 119 R CA 2.164 58.230 56.100 -0.057 0.000 0.951 119 R CB -1.323 28.952 30.300 -0.041 0.000 0.851 119 R HN 0.655 nan 8.270 nan 0.000 0.434 120 D N -0.311 120.044 120.400 -0.075 0.000 2.310 120 D HA -0.072 4.571 4.640 0.004 0.000 0.212 120 D C 1.365 177.612 176.300 -0.088 0.000 0.965 120 D CA 1.224 55.178 54.000 -0.076 0.000 0.879 120 D CB -0.168 40.596 40.800 -0.059 0.000 0.921 120 D HN 0.168 nan 8.370 nan 0.000 0.510 121 A N 0.302 123.070 122.820 -0.086 0.000 2.072 121 A HA -0.025 4.297 4.320 0.004 0.000 0.216 121 A C 2.038 179.574 177.584 -0.080 0.000 1.156 121 A CA 0.588 52.588 52.037 -0.062 0.000 0.701 121 A CB -0.393 18.588 19.000 -0.031 0.000 0.816 121 A HN 0.202 nan 8.150 nan 0.000 0.458 122 E N 0.268 120.414 120.200 -0.091 0.000 2.033 122 E HA -0.161 4.191 4.350 0.004 0.000 0.199 122 E C -0.823 175.574 176.600 -0.337 0.000 1.011 122 E CA 1.571 57.889 56.400 -0.136 0.000 0.815 122 E CB -0.827 28.806 29.700 -0.113 0.000 0.755 122 E HN 0.518 nan 8.360 nan 0.000 0.451 123 P HA -0.036 nan 4.420 nan 0.000 0.252 123 P C 0.134 177.008 177.300 -0.709 0.000 1.265 123 P CA 0.724 63.551 63.100 -0.455 0.000 0.775 123 P CB 0.251 31.778 31.700 -0.290 0.000 1.128 124 R N -1.001 119.130 120.500 -0.615 0.000 2.397 124 R HA 0.151 4.494 4.340 0.004 0.000 0.241 124 R C 0.233 176.210 176.300 -0.538 0.000 0.914 124 R CA -0.397 55.363 56.100 -0.567 0.000 1.071 124 R CB -0.770 29.403 30.300 -0.213 0.000 1.116 124 R HN 0.338 nan 8.270 nan 0.000 0.524 125 H N -0.494 118.521 119.070 -0.092 0.000 4.618 125 H HA -0.205 4.353 4.556 0.004 0.000 0.257 125 H C -0.734 174.707 175.328 0.189 0.000 0.545 125 H CA 0.319 56.350 56.048 -0.028 0.000 0.688 125 H CB -0.710 28.870 29.762 -0.303 0.000 0.965 125 H HN 0.120 nan 8.280 nan 0.000 0.303 126 L N 1.290 122.794 121.223 0.468 0.000 2.408 126 L HA 0.593 4.936 4.340 0.004 0.000 0.268 126 L C -1.355 175.716 176.870 0.334 0.000 0.986 126 L CA -0.811 54.253 54.840 0.374 0.000 0.820 126 L CB 1.714 43.939 42.059 0.276 0.000 1.303 126 L HN 0.497 nan 8.230 nan 0.000 0.411 127 L N 5.731 127.035 121.223 0.134 0.000 2.316 127 L HA 0.599 4.941 4.340 0.004 0.000 0.280 127 L C -1.105 175.716 176.870 -0.081 0.000 1.006 127 L CA -0.246 54.492 54.840 -0.169 0.000 0.836 127 L CB 1.687 43.585 42.059 -0.269 0.000 1.221 127 L HN 0.433 nan 8.230 nan 0.000 0.418 128 V N 4.974 124.840 119.914 -0.080 0.000 2.333 128 V HA 0.396 4.518 4.120 0.004 0.000 0.274 128 V C 0.002 176.070 176.094 -0.044 0.000 1.028 128 V CA -0.575 61.708 62.300 -0.028 0.000 0.851 128 V CB 1.070 32.901 31.823 0.013 0.000 1.000 128 V HN 0.799 nan 8.190 nan 0.000 0.456 129 N N 3.213 121.894 118.700 -0.031 0.000 2.399 129 N HA 0.813 5.555 4.740 0.004 0.000 0.295 129 N C -0.227 175.283 175.510 0.000 0.000 1.048 129 N CA 0.212 53.245 53.050 -0.028 0.000 0.886 129 N CB 1.835 40.301 38.487 -0.035 0.000 1.185 129 N HN 0.934 nan 8.380 nan 0.000 0.487 130 G N 0.359 109.160 108.800 0.003 0.000 2.340 130 G HA2 0.488 4.451 3.960 0.004 0.000 0.298 130 G HA3 0.488 4.451 3.960 0.004 0.000 0.298 130 G C -1.170 173.738 174.900 0.014 0.000 1.498 130 G CA -0.286 44.823 45.100 0.015 0.000 0.847 130 G HN 0.744 nan 8.290 nan 0.000 0.594 131 A N -0.189 122.641 122.820 0.016 0.000 2.261 131 A HA 0.738 5.061 4.320 0.004 0.000 0.275 131 A C 0.935 178.530 177.584 0.017 0.000 1.246 131 A CA 0.608 52.654 52.037 0.015 0.000 0.810 131 A CB -0.165 18.844 19.000 0.014 0.000 1.168 131 A HN 1.265 nan 8.150 nan 0.000 0.506 132 T N 0.322 114.886 114.554 0.017 0.000 2.794 132 T HA 0.477 4.830 4.350 0.004 0.000 0.296 132 T C 1.033 175.742 174.700 0.015 0.000 0.949 132 T CA 1.099 63.209 62.100 0.017 0.000 1.101 132 T CB 0.593 69.471 68.868 0.016 0.000 0.905 132 T HN 2.013 nan 8.240 nan 0.000 0.516 133 G N 2.965 111.775 108.800 0.016 0.000 2.198 133 G HA2 -0.267 3.696 3.960 0.004 0.000 0.257 133 G HA3 -0.267 3.696 3.960 0.004 0.000 0.257 133 G C 0.659 175.567 174.900 0.013 0.000 1.042 133 G CA 0.308 45.416 45.100 0.013 0.000 0.791 133 G HN 0.752 nan 8.290 nan 0.000 0.502 134 T N -0.807 113.757 114.554 0.016 0.000 3.040 134 T HA 0.451 4.804 4.350 0.004 0.000 0.250 134 T C 1.889 176.598 174.700 0.016 0.000 1.058 134 T CA 1.395 63.503 62.100 0.014 0.000 0.988 134 T CB 0.364 69.242 68.868 0.016 0.000 0.993 134 T HN 1.917 nan 8.240 nan 0.000 0.519 135 G N 1.470 110.284 108.800 0.024 0.000 2.173 135 G HA2 -0.150 3.812 3.960 0.004 0.000 0.142 135 G HA3 -0.150 3.812 3.960 0.004 0.000 0.142 135 G C 0.818 175.746 174.900 0.047 0.000 1.019 135 G CA 0.005 45.124 45.100 0.031 0.000 0.699 135 G HN 0.351 nan 8.290 nan 0.000 0.495 136 K N 0.760 121.189 120.400 0.047 0.000 2.026 136 K HA -0.038 4.284 4.320 0.004 0.000 0.208 136 K C 2.638 179.287 176.600 0.082 0.000 1.048 136 K CA 1.674 57.998 56.287 0.062 0.000 0.929 136 K CB -0.228 32.306 32.500 0.055 0.000 0.713 136 K HN 0.314 nan 8.250 nan 0.000 0.439 137 S N 0.947 116.691 115.700 0.073 0.000 2.359 137 S HA -0.147 4.326 4.470 0.004 0.000 0.223 137 S C 2.165 176.834 174.600 0.114 0.000 1.039 137 S CA 1.555 59.806 58.200 0.085 0.000 1.042 137 S CB -0.395 62.843 63.200 0.064 0.000 0.915 137 S HN 0.053 nan 8.310 nan 0.000 0.439 138 V N 2.025 122.001 119.914 0.104 0.000 2.332 138 V HA -0.165 3.957 4.120 0.004 0.000 0.248 138 V C 2.188 178.368 176.094 0.143 0.000 1.055 138 V CA 1.625 64.001 62.300 0.127 0.000 1.038 138 V CB -0.714 31.158 31.823 0.082 0.000 0.651 138 V HN 0.399 nan 8.190 nan 0.000 0.450 139 L N -0.997 120.295 121.223 0.115 0.000 2.005 139 L HA -0.170 4.172 4.340 0.004 0.000 0.207 139 L C 2.381 179.338 176.870 0.145 0.000 1.072 139 L CA 1.619 56.529 54.840 0.117 0.000 0.744 139 L CB -0.158 41.957 42.059 0.093 0.000 0.895 139 L HN 0.247 nan 8.230 nan 0.000 0.433 140 L N -0.233 121.086 121.223 0.159 0.000 2.083 140 L HA -0.190 4.153 4.340 0.004 0.000 0.209 140 L C 2.661 179.600 176.870 0.116 0.000 1.083 140 L CA 1.563 56.533 54.840 0.217 0.000 0.752 140 L CB -0.632 41.571 42.059 0.239 0.000 0.899 140 L HN 0.153 nan 8.230 nan 0.000 0.433 141 R N -0.593 119.980 120.500 0.121 0.000 2.073 141 R HA -0.187 4.155 4.340 0.004 0.000 0.234 141 R C 2.314 178.674 176.300 0.100 0.000 1.134 141 R CA 1.550 57.724 56.100 0.122 0.000 0.952 141 R CB -0.192 30.281 30.300 0.290 0.000 0.850 141 R HN 0.446 nan 8.270 nan 0.000 0.433 142 E N 0.311 120.640 120.200 0.215 0.000 2.106 142 E HA -0.205 4.148 4.350 0.004 0.000 0.192 142 E C 1.917 178.577 176.600 0.101 0.000 0.984 142 E CA 0.878 57.427 56.400 0.249 0.000 0.806 142 E CB -0.026 29.810 29.700 0.226 0.000 0.750 142 E HN 0.364 nan 8.360 nan 0.000 0.458 143 L N 0.297 121.547 121.223 0.045 0.000 2.056 143 L HA -0.131 4.211 4.340 0.004 0.000 0.207 143 L C 2.557 179.299 176.870 -0.213 0.000 1.078 143 L CA 1.152 55.971 54.840 -0.035 0.000 0.749 143 L CB -0.354 41.757 42.059 0.086 0.000 0.901 143 L HN 0.245 nan 8.230 nan 0.000 0.433 144 A N -0.792 121.833 122.820 -0.325 0.000 1.841 144 A HA -0.311 4.012 4.320 0.004 0.000 0.214 144 A C 2.103 179.279 177.584 -0.681 0.000 1.195 144 A CA 1.667 53.277 52.037 -0.711 0.000 0.611 144 A CB -1.127 17.238 19.000 -1.058 0.000 0.835 144 A HN 0.486 nan 8.150 nan 0.000 0.443 145 Y N 2.073 121.893 120.300 -0.800 0.000 2.014 145 Y HA -0.317 4.235 4.550 0.004 0.000 0.272 145 Y C 2.934 178.691 175.900 -0.239 0.000 1.164 145 Y CA 2.871 60.656 58.100 -0.525 0.000 1.114 145 Y CB -1.107 37.272 38.460 -0.135 0.000 0.961 145 Y HN 0.458 nan 8.280 nan 0.000 0.489 146 T N -2.584 111.790 114.554 -0.301 0.000 2.897 146 T HA -0.093 4.260 4.350 0.004 0.000 0.271 146 T C 2.115 176.636 174.700 -0.298 0.000 1.084 146 T CA 1.159 63.077 62.100 -0.303 0.000 1.123 146 T CB -1.198 67.609 68.868 -0.103 0.000 0.865 146 T HN 0.448 nan 8.240 nan 0.000 0.496 147 G N 1.280 109.865 108.800 -0.360 0.000 2.408 147 G HA2 0.112 4.074 3.960 0.004 0.000 0.215 147 G HA3 0.112 4.074 3.960 0.004 0.000 0.215 147 G C 1.465 176.221 174.900 -0.239 0.000 1.156 147 G CA 0.256 45.149 45.100 -0.344 0.000 0.793 147 G HN 0.512 nan 8.290 nan 0.000 0.535 148 L N 0.212 121.253 121.223 -0.304 0.000 2.093 148 L HA 0.062 4.404 4.340 0.004 0.000 0.208 148 L C 2.798 179.559 176.870 -0.180 0.000 1.085 148 L CA 0.360 55.078 54.840 -0.202 0.000 0.755 148 L CB -0.373 41.559 42.059 -0.212 0.000 0.904 148 L HN 0.151 nan 8.230 nan 0.000 0.435 149 L N -0.367 120.673 121.223 -0.304 0.000 2.079 149 L HA -0.226 4.116 4.340 0.004 0.000 0.210 149 L C 2.602 179.394 176.870 -0.130 0.000 1.081 149 L CA 1.271 55.957 54.840 -0.257 0.000 0.752 149 L CB -0.486 41.347 42.059 -0.377 0.000 0.896 149 L HN 0.254 nan 8.230 nan 0.000 0.433 150 R N 0.208 120.642 120.500 -0.110 0.000 2.313 150 R HA 0.017 4.359 4.340 0.004 0.000 0.199 150 R C 1.039 177.333 176.300 -0.010 0.000 0.958 150 R CA 0.603 56.678 56.100 -0.042 0.000 1.047 150 R CB 0.074 30.366 30.300 -0.014 0.000 0.955 150 R HN 0.419 nan 8.270 nan 0.000 0.481 151 G N 1.336 110.123 108.800 -0.021 0.000 2.147 151 G HA2 -0.233 3.730 3.960 0.004 0.000 0.244 151 G HA3 -0.233 3.730 3.960 0.004 0.000 0.244 151 G C -0.701 174.224 174.900 0.041 0.000 1.005 151 G CA 0.274 45.378 45.100 0.007 0.000 0.713 151 G HN 0.378 nan 8.290 nan 0.000 0.515 152 D N -0.030 120.411 120.400 0.068 0.000 2.339 152 D HA 0.500 5.142 4.640 0.004 0.000 0.245 152 D C 1.245 177.641 176.300 0.160 0.000 1.115 152 D CA -0.002 54.098 54.000 0.167 0.000 0.917 152 D CB 0.579 41.577 40.800 0.330 0.000 1.192 152 D HN 0.427 nan 8.370 nan 0.000 0.428 153 R N 1.029 121.643 120.500 0.190 0.000 2.596 153 R HA 0.781 5.124 4.340 0.004 0.000 0.267 153 R C 0.043 176.520 176.300 0.294 0.000 1.026 153 R CA -0.693 55.509 56.100 0.170 0.000 1.087 153 R CB 1.126 31.457 30.300 0.052 0.000 1.132 153 R HN 0.525 nan 8.270 nan 0.000 0.531 154 M N -1.907 117.877 119.600 0.306 0.000 2.755 154 M HA 0.342 4.824 4.480 0.004 0.000 0.276 154 M C -1.710 174.754 176.300 0.274 0.000 1.129 154 M CA -1.096 54.414 55.300 0.350 0.000 0.832 154 M CB 1.622 34.412 32.600 0.316 0.000 1.700 154 M HN 0.208 nan 8.290 nan 0.000 0.518 155 V N 2.600 122.672 119.914 0.262 0.000 2.459 155 V HA 0.661 4.783 4.120 0.004 0.000 0.295 155 V C -0.634 175.495 176.094 0.057 0.000 1.029 155 V CA -0.449 61.899 62.300 0.079 0.000 0.874 155 V CB 1.971 33.868 31.823 0.125 0.000 0.985 155 V HN 0.728 nan 8.190 nan 0.000 0.438 156 I N 4.627 125.109 120.570 -0.146 0.000 2.447 156 I HA 0.354 4.526 4.170 0.004 0.000 0.287 156 I C -0.452 175.693 176.117 0.048 0.000 1.023 156 I CA -0.862 60.387 61.300 -0.084 0.000 1.083 156 I CB 2.201 39.948 38.000 -0.422 0.000 1.245 156 I HN 0.256 nan 8.210 nan 0.000 0.434 157 V N 4.488 124.523 119.914 0.202 0.000 2.370 157 V HA 0.065 4.187 4.120 0.004 0.000 0.257 157 V C -0.153 176.101 176.094 0.266 0.000 1.064 157 V CA 0.072 62.584 62.300 0.353 0.000 0.975 157 V CB 0.452 32.507 31.823 0.387 0.000 1.067 157 V HN 0.644 nan 8.190 nan 0.000 0.485 158 D N 7.259 127.763 120.400 0.173 0.000 2.477 158 D HA 0.370 5.013 4.640 0.004 0.000 0.239 158 D C -2.713 173.284 176.300 -0.504 0.000 1.102 158 D CA -2.144 51.817 54.000 -0.065 0.000 0.901 158 D CB 1.582 42.438 40.800 0.094 0.000 1.026 158 D HN 0.264 nan 8.370 nan 0.000 0.515 159 P HA 0.148 nan 4.420 nan 0.000 0.267 159 P C -0.086 176.834 177.300 -0.634 0.000 1.205 159 P CA -0.041 62.336 63.100 -1.205 0.000 0.765 159 P CB 0.480 31.742 31.700 -0.730 0.000 0.828 160 N N 2.552 120.864 118.700 -0.646 0.000 2.778 160 N HA -0.194 4.548 4.740 0.004 0.000 0.249 160 N C 0.800 176.179 175.510 -0.218 0.000 1.069 160 N CA 1.687 54.521 53.050 -0.361 0.000 0.831 160 N CB -1.715 36.620 38.487 -0.253 0.000 1.142 160 N HN 0.851 nan 8.380 nan 0.000 0.573 161 G N 0.633 109.314 108.800 -0.199 0.000 2.273 161 G HA2 -0.350 3.613 3.960 0.004 0.000 0.280 161 G HA3 -0.350 3.613 3.960 0.004 0.000 0.280 161 G C 0.532 175.399 174.900 -0.055 0.000 1.047 161 G CA 1.184 46.243 45.100 -0.069 0.000 0.869 161 G HN 0.638 nan 8.290 nan 0.000 0.502 162 D N -0.596 119.765 120.400 -0.066 0.000 2.103 162 D HA -0.040 4.603 4.640 0.004 0.000 0.199 162 D C 2.581 178.876 176.300 -0.010 0.000 0.978 162 D CA 1.406 55.378 54.000 -0.046 0.000 0.829 162 D CB -0.048 40.725 40.800 -0.045 0.000 0.981 162 D HN 0.331 nan 8.370 nan 0.000 0.464 163 M N -0.018 119.636 119.600 0.091 0.000 2.319 163 M HA -0.007 4.476 4.480 0.004 0.000 0.265 163 M C 2.081 178.557 176.300 0.295 0.000 1.068 163 M CA 0.550 56.010 55.300 0.268 0.000 1.118 163 M CB -0.767 32.020 32.600 0.312 0.000 1.395 163 M HN 0.229 nan 8.290 nan 0.000 0.435 164 L N 0.930 122.214 121.223 0.102 0.000 2.017 164 L HA -0.144 4.199 4.340 0.004 0.000 0.208 164 L C 2.685 179.367 176.870 -0.312 0.000 1.073 164 L CA 2.408 57.009 54.840 -0.398 0.000 0.745 164 L CB -0.984 40.889 42.059 -0.309 0.000 0.894 164 L HN 0.398 nan 8.230 nan 0.000 0.432 165 S N -1.064 114.523 115.700 -0.188 0.000 2.383 165 S HA -0.173 4.300 4.470 0.004 0.000 0.229 165 S C 1.906 176.361 174.600 -0.241 0.000 1.030 165 S CA 1.111 59.203 58.200 -0.179 0.000 1.002 165 S CB -0.485 62.641 63.200 -0.124 0.000 0.829 165 S HN 0.495 nan 8.310 nan 0.000 0.467 166 K N 0.347 120.533 120.400 -0.355 0.000 2.166 166 K HA 0.225 4.547 4.320 0.004 0.000 0.201 166 K C 0.964 177.086 176.600 -0.795 0.000 1.052 166 K CA 0.740 56.625 56.287 -0.671 0.000 0.969 166 K CB -0.407 31.415 32.500 -1.130 0.000 0.761 166 K HN 0.586 nan 8.250 nan 0.000 0.459 167 F N 0.592 120.476 119.950 -0.110 0.000 2.706 167 F HA 0.305 4.834 4.527 0.003 0.000 0.313 167 F C 1.150 176.900 175.800 -0.083 0.000 1.096 167 F CA -0.878 57.096 58.000 -0.043 0.000 1.219 167 F CB 0.007 39.034 39.000 0.045 0.000 1.051 167 F HN -0.164 nan 8.300 nan 0.000 0.568 168 G N 1.991 110.667 108.800 -0.206 0.000 2.334 168 G HA2 0.364 4.326 3.960 0.004 0.000 0.261 168 G HA3 0.364 4.326 3.960 0.004 0.000 0.261 168 G C 0.179 174.983 174.900 -0.161 0.000 1.257 168 G CA -0.320 44.535 45.100 -0.410 0.000 0.935 168 G HN 0.158 nan 8.290 nan 0.000 0.480 169 R N 1.299 121.756 120.500 -0.072 0.000 2.700 169 R HA 0.253 4.595 4.340 0.004 0.000 0.253 169 R C 0.748 177.032 176.300 -0.027 0.000 1.091 169 R CA -0.753 55.341 56.100 -0.011 0.000 1.104 169 R CB 1.136 31.470 30.300 0.055 0.000 1.202 169 R HN 0.628 nan 8.270 nan 0.000 0.532 170 D N 1.432 121.827 120.400 -0.008 0.000 2.144 170 D HA -0.194 4.448 4.640 0.004 0.000 0.200 170 D C 1.076 177.382 176.300 0.009 0.000 0.978 170 D CA 1.403 55.397 54.000 -0.010 0.000 0.833 170 D CB 0.002 40.800 40.800 -0.003 0.000 0.961 170 D HN 0.519 nan 8.370 nan 0.000 0.470 171 K N 0.861 121.285 120.400 0.039 0.000 2.486 171 K HA 0.000 4.323 4.320 0.004 0.000 0.194 171 K C 0.130 176.791 176.600 0.102 0.000 1.033 171 K CA 0.114 56.441 56.287 0.067 0.000 1.004 171 K CB 0.153 32.700 32.500 0.078 0.000 0.798 171 K HN -0.110 nan 8.250 nan 0.000 0.495 172 D N 1.356 121.813 120.400 0.094 0.000 2.357 172 D HA 0.125 4.767 4.640 0.004 0.000 0.242 172 D C 0.210 176.548 176.300 0.064 0.000 1.153 172 D CA -0.125 53.965 54.000 0.151 0.000 0.918 172 D CB 0.779 41.681 40.800 0.171 0.000 1.181 172 D HN -0.027 nan 8.370 nan 0.000 0.435 173 I N 1.144 121.753 120.570 0.064 0.000 2.577 173 I HA 0.394 4.566 4.170 0.004 0.000 0.305 173 I C 0.329 176.347 176.117 -0.165 0.000 0.986 173 I CA -0.547 60.649 61.300 -0.173 0.000 1.189 173 I CB 1.179 38.916 38.000 -0.437 0.000 1.355 173 I HN 0.192 nan 8.210 nan 0.000 0.476 174 I N 5.781 126.187 120.570 -0.273 0.000 2.499 174 I HA 0.365 4.537 4.170 0.004 0.000 0.288 174 I C -0.901 175.021 176.117 -0.324 0.000 1.048 174 I CA -0.485 60.695 61.300 -0.200 0.000 1.062 174 I CB 2.359 40.290 38.000 -0.114 0.000 1.238 174 I HN 0.210 nan 8.210 nan 0.000 0.426 175 L N 6.666 127.664 121.223 -0.375 0.000 2.319 175 L HA 0.570 4.913 4.340 0.004 0.000 0.281 175 L C -0.592 176.121 176.870 -0.262 0.000 1.005 175 L CA -0.329 54.149 54.840 -0.603 0.000 0.828 175 L CB 1.298 42.554 42.059 -1.339 0.000 1.227 175 L HN 0.554 nan 8.230 nan 0.000 0.415 176 N N 5.008 123.702 118.700 -0.011 0.000 3.063 176 N HA 0.112 4.854 4.740 0.004 0.000 0.242 176 N C -2.399 173.267 175.510 0.261 0.000 1.146 176 N CA -0.838 52.373 53.050 0.270 0.000 0.974 176 N CB 2.372 41.031 38.487 0.287 0.000 1.584 176 N HN 0.122 nan 8.380 nan 0.000 0.636 177 P HA -0.099 nan 4.420 nan 0.000 0.223 177 P C 0.247 177.420 177.300 -0.210 0.000 1.144 177 P CA 1.281 64.383 63.100 0.004 0.000 0.783 177 P CB 0.089 31.720 31.700 -0.116 0.000 0.771 178 Y N -1.191 119.260 120.300 0.252 0.000 2.584 178 Y HA 0.292 4.845 4.550 0.005 0.000 0.254 178 Y C 0.842 176.945 175.900 0.339 0.000 1.177 178 Y CA -0.660 57.618 58.100 0.297 0.000 1.216 178 Y CB 0.243 38.922 38.460 0.366 0.000 1.172 178 Y HN -0.067 nan 8.280 nan 0.000 0.529 179 D N 0.691 121.310 120.400 0.365 0.000 2.217 179 D HA 0.047 4.689 4.640 0.004 0.000 0.243 179 D C 0.634 176.945 176.300 0.018 0.000 1.054 179 D CA -0.141 53.959 54.000 0.167 0.000 0.838 179 D CB 1.743 42.704 40.800 0.269 0.000 1.162 179 D HN 0.202 nan 8.370 nan 0.000 0.472 180 Q N 2.641 122.393 119.800 -0.079 0.000 2.291 180 Q HA -0.130 4.213 4.340 0.004 0.000 0.206 180 Q C 1.156 177.126 176.000 -0.050 0.000 0.976 180 Q CA 1.194 56.958 55.803 -0.064 0.000 0.875 180 Q CB 0.320 29.002 28.738 -0.094 0.000 0.927 180 Q HN 0.415 nan 8.270 nan 0.000 0.450 181 R N -0.668 119.801 120.500 -0.052 0.000 2.300 181 R HA 0.106 4.448 4.340 0.004 0.000 0.199 181 R C 0.495 176.753 176.300 -0.069 0.000 0.920 181 R CA 0.123 56.188 56.100 -0.059 0.000 1.046 181 R CB 0.241 30.500 30.300 -0.069 0.000 0.984 181 R HN 0.040 nan 8.270 nan 0.000 0.493 182 T N 1.896 116.421 114.554 -0.049 0.000 2.908 182 T HA -0.006 4.347 4.350 0.004 0.000 0.325 182 T C 0.496 175.134 174.700 -0.103 0.000 1.092 182 T CA 0.366 62.417 62.100 -0.082 0.000 1.125 182 T CB 0.642 69.498 68.868 -0.021 0.000 1.016 182 T HN -0.083 nan 8.240 nan 0.000 0.550 183 K N 1.191 121.474 120.400 -0.195 0.000 2.118 183 K HA 0.422 4.744 4.320 0.004 0.000 0.264 183 K C 0.621 177.236 176.600 0.026 0.000 1.000 183 K CA -0.389 55.797 56.287 -0.169 0.000 0.929 183 K CB 1.241 33.420 32.500 -0.534 0.000 1.021 183 K HN 0.773 nan 8.250 nan 0.000 0.463 184 G N 0.792 109.673 108.800 0.135 0.000 2.390 184 G HA2 0.332 4.294 3.960 0.004 0.000 0.270 184 G HA3 0.332 4.294 3.960 0.004 0.000 0.270 184 G C -1.336 173.812 174.900 0.413 0.000 1.211 184 G CA -0.322 44.910 45.100 0.220 0.000 0.842 184 G HN 0.629 nan 8.290 nan 0.000 0.519 185 W N 1.615 123.036 121.300 0.201 0.000 3.248 185 W HA 0.557 5.219 4.660 0.004 0.000 0.311 185 W C -0.621 176.078 176.519 0.300 0.000 1.258 185 W CA -0.638 56.868 57.345 0.267 0.000 1.191 185 W CB 1.766 31.434 29.460 0.347 0.000 1.389 185 W HN 0.932 nan 8.180 nan 0.000 0.561 186 S N 3.587 118.909 115.700 -0.631 0.000 2.550 186 S HA 0.368 4.840 4.470 0.004 0.000 0.270 186 S C 0.060 173.816 174.600 -1.405 0.000 1.145 186 S CA -0.358 57.459 58.200 -0.639 0.000 0.852 186 S CB 0.462 63.611 63.200 -0.085 0.000 1.119 186 S HN 1.038 nan 8.310 nan 0.000 0.465 187 F N 1.255 120.535 119.950 -1.117 0.000 2.408 187 F HA 0.223 4.752 4.527 0.005 0.000 0.300 187 F C 1.159 176.625 175.800 -0.557 0.000 1.090 187 F CA 0.330 57.854 58.000 -0.793 0.000 1.427 187 F CB -0.977 37.819 39.000 -0.340 0.000 1.070 187 F HN 0.496 nan 8.300 nan 0.000 0.549 188 F N 1.718 121.003 119.950 -1.109 0.000 2.202 188 F HA -0.182 4.347 4.527 0.004 0.000 0.301 188 F C 1.921 177.366 175.800 -0.591 0.000 1.082 188 F CA 1.370 58.849 58.000 -0.869 0.000 1.313 188 F CB -0.903 37.730 39.000 -0.612 0.000 1.024 188 F HN 0.046 nan 8.300 nan 0.000 0.495 189 N N 0.230 118.714 118.700 -0.359 0.000 2.573 189 N HA -0.119 4.624 4.740 0.004 0.000 0.187 189 N C 1.199 176.541 175.510 -0.281 0.000 1.107 189 N CA 0.796 53.683 53.050 -0.272 0.000 0.918 189 N CB -0.289 38.058 38.487 -0.234 0.000 0.966 189 N HN 0.387 nan 8.380 nan 0.000 0.448 190 E N 0.120 120.072 120.200 -0.412 0.000 2.476 190 E HA 0.125 4.477 4.350 0.004 0.000 0.199 190 E C 0.367 176.638 176.600 -0.547 0.000 1.021 190 E CA -0.146 55.936 56.400 -0.529 0.000 0.907 190 E CB 0.641 29.761 29.700 -0.967 0.000 0.974 190 E HN 0.209 nan 8.360 nan 0.000 0.489 191 I N 2.559 122.817 120.570 -0.521 0.000 2.436 191 I HA 0.044 4.216 4.170 0.004 0.000 0.289 191 I C 1.400 177.312 176.117 -0.343 0.000 1.083 191 I CA 0.336 61.312 61.300 -0.540 0.000 1.372 191 I CB 0.421 37.885 38.000 -0.892 0.000 1.408 191 I HN -0.099 nan 8.210 nan 0.000 0.516 192 R N 4.102 124.436 120.500 -0.276 0.000 2.167 192 R HA 0.262 4.604 4.340 0.004 0.000 0.195 192 R C 0.329 176.541 176.300 -0.146 0.000 1.027 192 R CA 0.316 56.316 56.100 -0.168 0.000 1.114 192 R CB 0.178 30.410 30.300 -0.114 0.000 1.075 192 R HN 0.564 nan 8.270 nan 0.000 0.538 193 N N 0.526 119.086 118.700 -0.233 0.000 2.619 193 N HA 0.077 4.819 4.740 0.004 0.000 0.294 193 N C 0.036 175.471 175.510 -0.125 0.000 1.279 193 N CA -0.382 52.578 53.050 -0.151 0.000 0.867 193 N CB 1.073 39.462 38.487 -0.164 0.000 1.329 193 N HN -0.122 nan 8.380 nan 0.000 0.557 194 D N -0.664 119.790 120.400 0.090 0.000 2.234 194 D HA -0.093 4.550 4.640 0.004 0.000 0.205 194 D C 1.485 177.961 176.300 0.292 0.000 0.962 194 D CA 0.856 55.030 54.000 0.290 0.000 0.855 194 D CB 0.027 40.997 40.800 0.283 0.000 0.951 194 D HN 0.608 nan 8.370 nan 0.000 0.500 195 Y N -1.129 119.264 120.300 0.154 0.000 2.583 195 Y HA 0.158 4.710 4.550 0.004 0.000 0.293 195 Y C 1.053 177.010 175.900 0.095 0.000 1.157 195 Y CA 0.275 58.447 58.100 0.120 0.000 1.315 195 Y CB -0.235 38.265 38.460 0.068 0.000 1.021 195 Y HN -0.157 nan 8.280 nan 0.000 0.536 196 D N 0.052 120.230 120.400 -0.370 0.000 2.317 196 D HA -0.093 4.550 4.640 0.004 0.000 0.211 196 D C 1.163 177.446 176.300 -0.029 0.000 0.966 196 D CA 0.760 54.599 54.000 -0.268 0.000 0.876 196 D CB -0.367 40.251 40.800 -0.303 0.000 0.927 196 D HN 0.541 nan 8.370 nan 0.000 0.519 197 W N 1.369 122.715 121.300 0.077 0.000 2.354 197 W HA -0.177 4.485 4.660 0.004 0.000 0.315 197 W C 2.672 179.252 176.519 0.102 0.000 1.206 197 W CA 0.648 58.063 57.345 0.116 0.000 1.290 197 W CB -0.402 29.108 29.460 0.083 0.000 1.152 197 W HN -0.035 nan 8.180 nan 0.000 0.489 198 Q N 1.140 121.121 119.800 0.300 0.000 2.079 198 Q HA -0.174 4.168 4.340 0.004 0.000 0.200 198 Q C 2.182 178.229 176.000 0.077 0.000 0.974 198 Q CA 1.837 57.743 55.803 0.171 0.000 0.840 198 Q CB -0.580 28.241 28.738 0.139 0.000 0.898 198 Q HN 0.214 nan 8.270 nan 0.000 0.430 199 R N -1.159 119.352 120.500 0.018 0.000 2.113 199 R HA -0.215 4.127 4.340 0.004 0.000 0.244 199 R C 1.428 177.524 176.300 -0.340 0.000 1.142 199 R CA 2.038 58.026 56.100 -0.187 0.000 0.953 199 R CB -0.349 29.766 30.300 -0.310 0.000 0.860 199 R HN 0.424 nan 8.270 nan 0.000 0.438 200 Y N -0.971 119.366 120.300 0.062 0.000 2.500 200 Y HA 0.231 4.783 4.550 0.004 0.000 0.270 200 Y C 1.970 177.867 175.900 -0.006 0.000 1.134 200 Y CA 0.396 58.537 58.100 0.068 0.000 1.293 200 Y CB 0.159 38.689 38.460 0.116 0.000 1.063 200 Y HN 0.201 nan 8.280 nan 0.000 0.534 201 A N -0.547 122.322 122.820 0.082 0.000 2.066 201 A HA -0.068 4.254 4.320 0.004 0.000 0.218 201 A C 1.901 179.464 177.584 -0.034 0.000 1.157 201 A CA 0.970 52.991 52.037 -0.027 0.000 0.670 201 A CB -0.544 18.487 19.000 0.051 0.000 0.804 201 A HN 0.338 nan 8.150 nan 0.000 0.453 202 L N -0.365 120.852 121.223 -0.010 0.000 2.376 202 L HA 0.036 4.378 4.340 0.004 0.000 0.219 202 L C 2.323 179.190 176.870 -0.005 0.000 1.133 202 L CA 1.685 56.515 54.840 -0.017 0.000 0.816 202 L CB -0.512 41.530 42.059 -0.029 0.000 0.933 202 L HN 0.310 nan 8.230 nan 0.000 0.449 203 S N -1.926 113.790 115.700 0.027 0.000 2.427 203 S HA -0.009 4.464 4.470 0.004 0.000 0.224 203 S C 1.917 176.547 174.600 0.049 0.000 1.047 203 S CA 0.726 58.976 58.200 0.083 0.000 0.953 203 S CB 0.099 63.435 63.200 0.227 0.000 0.824 203 S HN 0.195 nan 8.310 nan 0.000 0.502 204 V N 1.513 121.408 119.914 -0.031 0.000 2.427 204 V HA 0.016 4.138 4.120 0.004 0.000 0.248 204 V C 0.678 176.707 176.094 -0.108 0.000 1.051 204 V CA 1.004 63.210 62.300 -0.156 0.000 1.048 204 V CB -0.322 31.193 31.823 -0.513 0.000 0.666 204 V HN 0.266 nan 8.190 nan 0.000 0.456 205 V N 3.213 123.077 119.914 -0.082 0.000 2.250 205 V HA 0.316 4.439 4.120 0.004 0.000 0.268 205 V C -2.104 173.973 176.094 -0.028 0.000 1.043 205 V CA -1.717 60.557 62.300 -0.043 0.000 0.814 205 V CB 0.925 32.730 31.823 -0.031 0.000 1.072 205 V HN 0.298 nan 8.190 nan 0.000 0.451 206 P HA 0.100 nan 4.420 nan 0.000 0.272 206 P C -0.202 177.062 177.300 -0.060 0.000 1.248 206 P CA -0.390 62.685 63.100 -0.042 0.000 0.799 206 P CB 0.768 32.437 31.700 -0.051 0.000 0.997 207 R N -0.138 120.308 120.500 -0.089 0.000 2.590 207 R HA 0.243 4.585 4.340 0.004 0.000 0.274 207 R C 0.990 177.213 176.300 -0.128 0.000 1.061 207 R CA 0.203 56.238 56.100 -0.108 0.000 1.081 207 R CB -0.672 29.552 30.300 -0.128 0.000 0.984 207 R HN 0.613 nan 8.270 nan 0.000 0.448 208 G N 1.262 109.990 108.800 -0.119 0.000 2.442 208 G HA2 -0.006 3.956 3.960 0.004 0.000 0.249 208 G HA3 -0.006 3.956 3.960 0.004 0.000 0.249 208 G C 0.892 175.702 174.900 -0.150 0.000 1.263 208 G CA -0.426 44.598 45.100 -0.127 0.000 0.846 208 G HN 0.667 nan 8.290 nan 0.000 0.555 209 K N 0.279 120.597 120.400 -0.136 0.000 2.103 209 K HA -0.101 4.222 4.320 0.004 0.000 0.207 209 K C 1.292 177.817 176.600 -0.125 0.000 1.048 209 K CA 1.666 57.876 56.287 -0.128 0.000 0.930 209 K CB -0.152 32.292 32.500 -0.093 0.000 0.716 209 K HN 0.628 nan 8.250 nan 0.000 0.444 210 T N -2.523 111.938 114.554 -0.156 0.000 2.940 210 T HA 0.193 4.545 4.350 0.004 0.000 0.288 210 T C 0.463 175.036 174.700 -0.212 0.000 1.045 210 T CA -0.924 61.077 62.100 -0.165 0.000 1.018 210 T CB 1.529 70.290 68.868 -0.178 0.000 1.151 210 T HN -0.054 nan 8.240 nan 0.000 0.529 211 D N 0.274 120.562 120.400 -0.187 0.000 2.123 211 D HA -0.141 4.501 4.640 0.004 0.000 0.196 211 D C 1.670 177.789 176.300 -0.301 0.000 0.992 211 D CA 1.486 55.369 54.000 -0.196 0.000 0.833 211 D CB 0.009 40.725 40.800 -0.140 0.000 0.954 211 D HN 0.852 nan 8.370 nan 0.000 0.455 212 E N 0.564 120.533 120.200 -0.386 0.000 2.106 212 E HA -0.122 4.231 4.350 0.004 0.000 0.192 212 E C 2.005 177.912 176.600 -1.154 0.000 0.984 212 E CA 0.881 56.901 56.400 -0.633 0.000 0.806 212 E CB 0.045 29.411 29.700 -0.558 0.000 0.750 212 E HN 0.150 nan 8.360 nan 0.000 0.458 213 A N 0.887 123.146 122.820 -0.935 0.000 1.969 213 A HA -0.193 4.129 4.320 0.004 0.000 0.218 213 A C 1.981 179.330 177.584 -0.392 0.000 1.169 213 A CA 1.679 53.259 52.037 -0.762 0.000 0.635 213 A CB -0.401 18.378 19.000 -0.369 0.000 0.810 213 A HN 0.278 nan 8.150 nan 0.000 0.445 214 E N 0.374 120.369 120.200 -0.341 0.000 2.216 214 E HA -0.132 4.221 4.350 0.004 0.000 0.192 214 E C 1.841 178.296 176.600 -0.241 0.000 0.988 214 E CA 1.308 57.578 56.400 -0.217 0.000 0.834 214 E CB -0.277 29.314 29.700 -0.181 0.000 0.772 214 E HN 0.700 nan 8.360 nan 0.000 0.479 215 E N -0.552 119.437 120.200 -0.351 0.000 2.047 215 E HA -0.170 4.182 4.350 0.004 0.000 0.191 215 E C 1.357 177.715 176.600 -0.402 0.000 0.987 215 E CA 1.368 57.533 56.400 -0.392 0.000 0.799 215 E CB -0.243 29.266 29.700 -0.318 0.000 0.752 215 E HN 0.367 nan 8.360 nan 0.000 0.449 216 W N 0.482 121.670 121.300 -0.186 0.000 2.363 216 W HA 0.005 4.667 4.660 0.003 0.000 0.296 216 W C 2.440 178.955 176.519 -0.006 0.000 1.212 216 W CA 0.801 58.149 57.345 0.006 0.000 1.260 216 W CB -1.291 28.232 29.460 0.106 0.000 1.131 216 W HN 0.214 nan 8.180 nan 0.000 0.530 217 A N 0.340 123.246 122.820 0.143 0.000 1.933 217 A HA -0.174 4.148 4.320 0.004 0.000 0.218 217 A C 2.231 179.838 177.584 0.040 0.000 1.175 217 A CA 2.247 54.334 52.037 0.082 0.000 0.628 217 A CB -1.012 17.994 19.000 0.010 0.000 0.814 217 A HN 0.166 nan 8.150 nan 0.000 0.444 218 S N -1.009 114.648 115.700 -0.072 0.000 2.383 218 S HA -0.156 4.316 4.470 0.004 0.000 0.229 218 S C 1.817 176.460 174.600 0.072 0.000 1.030 218 S CA 1.588 59.741 58.200 -0.078 0.000 1.002 218 S CB -0.530 62.538 63.200 -0.220 0.000 0.829 218 S HN 0.665 nan 8.310 nan 0.000 0.467 219 Y N 1.599 122.015 120.300 0.194 0.000 2.200 219 Y HA 0.055 4.608 4.550 0.004 0.000 0.290 219 Y C 2.764 178.828 175.900 0.273 0.000 1.137 219 Y CA 0.224 58.505 58.100 0.301 0.000 1.163 219 Y CB -1.423 37.255 38.460 0.364 0.000 0.988 219 Y HN 0.307 nan 8.280 nan 0.000 0.518 220 G N -0.177 108.814 108.800 0.318 0.000 2.432 220 G HA2 -0.215 3.747 3.960 0.004 0.000 0.219 220 G HA3 -0.215 3.747 3.960 0.004 0.000 0.219 220 G C 1.816 176.790 174.900 0.124 0.000 1.135 220 G CA 0.635 45.838 45.100 0.173 0.000 0.767 220 G HN 0.313 nan 8.290 nan 0.000 0.550 221 R N -0.758 119.816 120.500 0.124 0.000 2.093 221 R HA 0.130 4.472 4.340 0.004 0.000 0.224 221 R C 2.394 178.771 176.300 0.128 0.000 1.101 221 R CA 0.692 56.843 56.100 0.086 0.000 0.979 221 R CB -0.428 29.907 30.300 0.059 0.000 0.877 221 R HN 0.375 nan 8.270 nan 0.000 0.441 222 L N 1.295 122.633 121.223 0.192 0.000 1.994 222 L HA -0.138 4.204 4.340 0.004 0.000 0.208 222 L C 2.091 179.110 176.870 0.248 0.000 1.071 222 L CA 1.557 56.520 54.840 0.205 0.000 0.745 222 L CB -0.702 41.492 42.059 0.224 0.000 0.892 222 L HN 0.099 nan 8.230 nan 0.000 0.431 223 L N -0.787 120.635 121.223 0.332 0.000 2.042 223 L HA -0.197 4.145 4.340 0.004 0.000 0.210 223 L C 2.353 179.280 176.870 0.097 0.000 1.076 223 L CA 2.120 57.068 54.840 0.181 0.000 0.749 223 L CB -0.899 41.133 42.059 -0.045 0.000 0.893 223 L HN 0.446 nan 8.230 nan 0.000 0.432 224 L N 0.249 121.522 121.223 0.084 0.000 1.994 224 L HA -0.199 4.143 4.340 0.004 0.000 0.208 224 L C 2.868 179.806 176.870 0.114 0.000 1.071 224 L CA 2.299 57.180 54.840 0.067 0.000 0.745 224 L CB -0.714 41.341 42.059 -0.006 0.000 0.892 224 L HN 0.494 nan 8.230 nan 0.000 0.431 225 R N -1.450 119.120 120.500 0.116 0.000 2.148 225 R HA -0.073 4.270 4.340 0.004 0.000 0.227 225 R C 1.732 177.984 176.300 -0.081 0.000 1.103 225 R CA 1.177 57.345 56.100 0.114 0.000 0.983 225 R CB -0.711 29.697 30.300 0.179 0.000 0.874 225 R HN 0.330 nan 8.270 nan 0.000 0.451 226 E N 0.897 121.085 120.200 -0.021 0.000 2.112 226 E HA -0.036 4.316 4.350 0.004 0.000 0.190 226 E C 1.819 178.397 176.600 -0.037 0.000 0.979 226 E CA 1.433 57.792 56.400 -0.068 0.000 0.814 226 E CB -0.174 29.532 29.700 0.010 0.000 0.762 226 E HN 0.349 nan 8.360 nan 0.000 0.460 227 T N 0.791 115.387 114.554 0.070 0.000 2.985 227 T HA 0.045 4.397 4.350 0.004 0.000 0.266 227 T C 1.823 176.641 174.700 0.196 0.000 1.076 227 T CA 0.990 63.208 62.100 0.195 0.000 1.135 227 T CB 0.053 69.009 68.868 0.147 0.000 0.890 227 T HN 0.206 nan 8.240 nan 0.000 0.480 228 A N 1.918 124.812 122.820 0.123 0.000 1.898 228 A HA 0.017 4.339 4.320 0.004 0.000 0.214 228 A C 2.247 179.772 177.584 -0.099 0.000 1.183 228 A CA 0.997 53.162 52.037 0.213 0.000 0.622 228 A CB -0.280 18.897 19.000 0.295 0.000 0.824 228 A HN 0.349 nan 8.150 nan 0.000 0.444 229 K N -0.112 119.884 120.400 -0.673 0.000 2.032 229 K HA -0.210 4.112 4.320 0.004 0.000 0.209 229 K C 2.204 178.618 176.600 -0.309 0.000 1.048 229 K CA 1.831 57.564 56.287 -0.924 0.000 0.927 229 K CB -0.187 31.750 32.500 -0.938 0.000 0.712 229 K HN 0.484 nan 8.250 nan 0.000 0.441 230 K N 1.345 121.631 120.400 -0.190 0.000 2.026 230 K HA -0.110 4.212 4.320 0.004 0.000 0.208 230 K C 2.156 178.753 176.600 -0.003 0.000 1.048 230 K CA 1.000 57.197 56.287 -0.151 0.000 0.929 230 K CB -0.077 32.230 32.500 -0.322 0.000 0.713 230 K HN 0.034 nan 8.250 nan 0.000 0.439 231 L N 0.449 121.771 121.223 0.164 0.000 2.042 231 L HA -0.216 4.126 4.340 0.004 0.000 0.210 231 L C 2.631 179.569 176.870 0.114 0.000 1.076 231 L CA 1.388 56.349 54.840 0.202 0.000 0.749 231 L CB -0.652 41.569 42.059 0.271 0.000 0.893 231 L HN 0.338 nan 8.230 nan 0.000 0.432 232 A N -0.147 122.779 122.820 0.177 0.000 1.933 232 A HA -0.171 4.152 4.320 0.004 0.000 0.218 232 A C 2.276 179.914 177.584 0.089 0.000 1.175 232 A CA 1.367 53.509 52.037 0.175 0.000 0.628 232 A CB -0.586 18.680 19.000 0.442 0.000 0.814 232 A HN 0.346 nan 8.150 nan 0.000 0.444 233 L N -0.218 121.034 121.223 0.048 0.000 1.994 233 L HA -0.129 4.213 4.340 0.004 0.000 0.208 233 L C 2.402 179.270 176.870 -0.004 0.000 1.071 233 L CA 1.751 56.595 54.840 0.007 0.000 0.745 233 L CB -0.488 41.543 42.059 -0.046 0.000 0.892 233 L HN 0.680 nan 8.230 nan 0.000 0.431 234 I N -1.739 118.826 120.570 -0.009 0.000 3.454 234 I HA 0.081 4.254 4.170 0.004 0.000 0.297 234 I C 1.233 177.357 176.117 0.012 0.000 1.298 234 I CA 0.753 62.051 61.300 -0.003 0.000 1.297 234 I CB -0.869 37.135 38.000 0.006 0.000 1.017 234 I HN 0.400 nan 8.210 nan 0.000 0.528 235 G N 1.929 110.734 108.800 0.008 0.000 2.168 235 G HA2 -0.320 3.642 3.960 0.004 0.000 0.263 235 G HA3 -0.320 3.642 3.960 0.004 0.000 0.263 235 G C 0.463 175.350 174.900 -0.023 0.000 0.977 235 G CA 0.598 45.694 45.100 -0.006 0.000 0.659 235 G HN 0.766 nan 8.290 nan 0.000 0.533 236 T N -1.110 113.437 114.554 -0.012 0.000 3.377 236 T HA 0.597 4.949 4.350 0.004 0.000 0.270 236 T C -1.853 172.777 174.700 -0.116 0.000 1.586 236 T CA -1.095 60.985 62.100 -0.034 0.000 1.487 236 T CB 1.773 70.663 68.868 0.037 0.000 0.994 236 T HN 0.224 nan 8.240 nan 0.000 0.689 237 P HA 0.171 nan 4.420 nan 0.000 0.231 237 P C -0.185 176.613 177.300 -0.838 0.000 1.756 237 P CA 0.126 62.752 63.100 -0.790 0.000 0.990 237 P CB -0.216 30.978 31.700 -0.843 0.000 1.973 238 S N 1.905 117.385 115.700 -0.366 0.000 2.451 238 S HA 0.365 4.838 4.470 0.004 0.000 0.301 238 S C 1.451 176.086 174.600 0.059 0.000 1.116 238 S CA -0.747 57.364 58.200 -0.148 0.000 1.093 238 S CB 0.638 63.813 63.200 -0.042 0.000 1.017 238 S HN -0.062 nan 8.310 nan 0.000 0.482 239 M N 3.841 123.527 119.600 0.143 0.000 2.117 239 M HA -0.011 4.471 4.480 0.004 0.000 0.262 239 M C 2.045 178.505 176.300 0.268 0.000 1.065 239 M CA 1.538 57.020 55.300 0.303 0.000 1.114 239 M CB -1.452 31.317 32.600 0.281 0.000 1.361 239 M HN 0.721 nan 8.290 nan 0.000 0.408 240 R N 0.404 121.005 120.500 0.168 0.000 2.103 240 R HA -0.174 4.169 4.340 0.004 0.000 0.242 240 R C 2.141 178.562 176.300 0.203 0.000 1.142 240 R CA 1.786 57.978 56.100 0.153 0.000 0.960 240 R CB -0.142 30.200 30.300 0.070 0.000 0.858 240 R HN 0.523 nan 8.270 nan 0.000 0.439 241 E N -0.100 120.198 120.200 0.164 0.000 2.072 241 E HA -0.183 4.170 4.350 0.004 0.000 0.190 241 E C 1.938 178.716 176.600 0.298 0.000 0.982 241 E CA 0.819 57.319 56.400 0.167 0.000 0.803 241 E CB -0.143 29.665 29.700 0.180 0.000 0.755 241 E HN 0.142 nan 8.360 nan 0.000 0.453 242 L N 0.836 122.260 121.223 0.334 0.000 2.012 242 L HA -0.171 4.171 4.340 0.004 0.000 0.210 242 L C 2.149 179.182 176.870 0.272 0.000 1.073 242 L CA 1.625 56.676 54.840 0.352 0.000 0.748 242 L CB -0.636 41.694 42.059 0.452 0.000 0.891 242 L HN 0.056 nan 8.230 nan 0.000 0.431 243 F N -0.778 119.263 119.950 0.152 0.000 2.234 243 F HA -0.228 4.301 4.527 0.003 0.000 0.299 243 F C 2.661 178.469 175.800 0.013 0.000 1.087 243 F CA 1.897 59.946 58.000 0.081 0.000 1.340 243 F CB -0.408 38.645 39.000 0.088 0.000 1.031 243 F HN 0.385 nan 8.300 nan 0.000 0.500 244 H N -1.054 118.035 119.070 0.032 0.000 2.326 244 H HA -0.191 4.367 4.556 0.004 0.000 0.301 244 H C 2.025 177.129 175.328 -0.373 0.000 1.081 244 H CA 2.354 58.279 56.048 -0.206 0.000 1.334 244 H CB -0.920 28.652 29.762 -0.316 0.000 1.385 244 H HN 0.422 nan 8.280 nan 0.000 0.504 245 W N 1.084 122.324 121.300 -0.101 0.000 2.379 245 W HA -0.161 4.502 4.660 0.004 0.000 0.307 245 W C 3.006 179.329 176.519 -0.327 0.000 1.200 245 W CA 2.009 59.195 57.345 -0.266 0.000 1.297 245 W CB -0.457 28.713 29.460 -0.484 0.000 1.140 245 W HN 0.314 nan 8.180 nan 0.000 0.507 246 T N -4.488 110.026 114.554 -0.067 0.000 2.995 246 T HA -0.033 4.319 4.350 0.004 0.000 0.269 246 T C 1.370 175.870 174.700 -0.333 0.000 1.091 246 T CA 1.720 63.709 62.100 -0.184 0.000 1.128 246 T CB -0.314 68.471 68.868 -0.137 0.000 0.891 246 T HN -0.026 nan 8.240 nan 0.000 0.492 247 T N 0.432 114.697 114.554 -0.480 0.000 3.075 247 T HA 0.386 4.738 4.350 0.004 0.000 0.251 247 T C 1.523 175.932 174.700 -0.484 0.000 0.979 247 T CA -0.185 61.571 62.100 -0.573 0.000 1.033 247 T CB 0.265 68.510 68.868 -1.038 0.000 1.104 247 T HN 0.155 nan 8.240 nan 0.000 0.473 248 I N 1.803 122.032 120.570 -0.567 0.000 2.556 248 I HA 0.336 4.509 4.170 0.004 0.000 0.251 248 I C 1.648 177.423 176.117 -0.570 0.000 1.105 248 I CA 0.142 61.111 61.300 -0.552 0.000 1.436 248 I CB -1.590 36.020 38.000 -0.650 0.000 1.139 248 I HN 0.094 nan 8.210 nan 0.000 0.438 249 A N 1.919 124.295 122.820 -0.739 0.000 2.536 249 A HA 0.214 4.537 4.320 0.004 0.000 0.234 249 A C 0.933 178.412 177.584 -0.175 0.000 1.076 249 A CA 0.356 52.139 52.037 -0.423 0.000 0.769 249 A CB -0.402 18.433 19.000 -0.275 0.000 1.020 249 A HN 0.523 nan 8.150 nan 0.000 0.508 250 T N -1.029 113.491 114.554 -0.057 0.000 2.813 250 T HA 0.315 4.668 4.350 0.004 0.000 0.297 250 T C 0.832 175.589 174.700 0.094 0.000 1.036 250 T CA 0.064 62.179 62.100 0.026 0.000 1.044 250 T CB 0.166 69.061 68.868 0.045 0.000 0.993 250 T HN 0.386 nan 8.240 nan 0.000 0.535 251 F N 1.174 121.081 119.950 -0.072 0.000 2.065 251 F HA -0.096 4.433 4.527 0.004 0.000 0.298 251 F C 2.190 177.982 175.800 -0.015 0.000 1.112 251 F CA 2.040 59.999 58.000 -0.067 0.000 1.212 251 F CB -0.567 38.386 39.000 -0.078 0.000 0.975 251 F HN 0.607 nan 8.300 nan 0.000 0.476 252 D N -0.074 120.443 120.400 0.195 0.000 2.149 252 D HA -0.162 4.481 4.640 0.004 0.000 0.198 252 D C 1.837 178.203 176.300 0.110 0.000 0.990 252 D CA 1.577 55.651 54.000 0.124 0.000 0.839 252 D CB -0.549 40.315 40.800 0.106 0.000 0.948 252 D HN 0.289 nan 8.370 nan 0.000 0.460 253 D N 0.048 120.531 120.400 0.138 0.000 2.117 253 D HA -0.073 4.569 4.640 0.004 0.000 0.198 253 D C 2.114 178.589 176.300 0.293 0.000 0.982 253 D CA 0.186 54.323 54.000 0.228 0.000 0.828 253 D CB -0.187 40.764 40.800 0.251 0.000 0.967 253 D HN 0.137 nan 8.370 nan 0.000 0.464 254 L N 0.566 121.903 121.223 0.189 0.000 1.994 254 L HA -0.153 4.190 4.340 0.004 0.000 0.208 254 L C 2.302 179.203 176.870 0.052 0.000 1.071 254 L CA 1.266 56.187 54.840 0.136 0.000 0.745 254 L CB -0.070 41.938 42.059 -0.084 0.000 0.892 254 L HN 0.014 nan 8.230 nan 0.000 0.431 255 R N -0.195 120.290 120.500 -0.026 0.000 2.133 255 R HA -0.187 4.155 4.340 0.004 0.000 0.247 255 R C 2.065 178.375 176.300 0.016 0.000 1.151 255 R CA 1.497 57.585 56.100 -0.020 0.000 0.971 255 R CB -1.157 29.139 30.300 -0.007 0.000 0.866 255 R HN 0.518 nan 8.270 nan 0.000 0.447 256 G N -0.013 108.817 108.800 0.050 0.000 2.408 256 G HA2 -0.264 3.698 3.960 0.004 0.000 0.217 256 G HA3 -0.264 3.698 3.960 0.004 0.000 0.217 256 G C 1.328 176.216 174.900 -0.020 0.000 1.150 256 G CA 0.157 45.276 45.100 0.031 0.000 0.776 256 G HN 0.303 nan 8.290 nan 0.000 0.542 257 F N 1.081 120.917 119.950 -0.191 0.000 2.234 257 F HA 0.139 4.668 4.527 0.004 0.000 0.299 257 F C 2.197 177.825 175.800 -0.285 0.000 1.087 257 F CA 0.836 58.601 58.000 -0.392 0.000 1.340 257 F CB 0.033 38.548 39.000 -0.809 0.000 1.031 257 F HN 0.002 nan 8.300 nan 0.000 0.500 258 L N 0.077 121.266 121.223 -0.056 0.000 2.551 258 L HA -0.044 4.298 4.340 0.004 0.000 0.228 258 L C 0.385 177.175 176.870 -0.134 0.000 1.153 258 L CA 0.328 55.123 54.840 -0.076 0.000 0.851 258 L CB -0.737 41.338 42.059 0.027 0.000 0.959 258 L HN 0.027 nan 8.230 nan 0.000 0.451 259 E N 0.052 120.157 120.200 -0.159 0.000 2.324 259 E HA 0.230 4.583 4.350 0.004 0.000 0.271 259 E C 0.998 177.486 176.600 -0.187 0.000 1.028 259 E CA 0.681 56.999 56.400 -0.136 0.000 0.890 259 E CB 0.607 30.242 29.700 -0.109 0.000 1.004 259 E HN 0.274 nan 8.360 nan 0.000 0.431 260 G N 2.746 111.460 108.800 -0.143 0.000 2.213 260 G HA2 -0.273 3.689 3.960 0.004 0.000 0.226 260 G HA3 -0.273 3.689 3.960 0.004 0.000 0.226 260 G C 0.478 175.287 174.900 -0.152 0.000 0.992 260 G CA 0.220 45.230 45.100 -0.150 0.000 0.632 260 G HN 0.669 nan 8.290 nan 0.000 0.511 261 T N -1.300 113.162 114.554 -0.152 0.000 2.923 261 T HA 0.697 5.049 4.350 0.004 0.000 0.281 261 T C 1.617 176.265 174.700 -0.088 0.000 0.995 261 T CA -0.250 61.770 62.100 -0.133 0.000 0.985 261 T CB 1.422 70.208 68.868 -0.137 0.000 1.114 261 T HN 0.345 nan 8.240 nan 0.000 0.548 262 L N 0.466 121.643 121.223 -0.077 0.000 2.549 262 L HA 0.156 4.498 4.340 0.004 0.000 0.229 262 L C 2.541 179.377 176.870 -0.057 0.000 1.158 262 L CA 0.862 55.666 54.840 -0.060 0.000 0.842 262 L CB -0.708 41.320 42.059 -0.052 0.000 0.952 262 L HN 0.889 nan 8.230 nan 0.000 0.452 263 A N -0.775 122.026 122.820 -0.032 0.000 2.348 263 A HA -0.014 4.308 4.320 0.004 0.000 0.224 263 A C 2.056 179.656 177.584 0.027 0.000 1.227 263 A CA -0.040 51.998 52.037 0.001 0.000 0.885 263 A CB -0.071 19.027 19.000 0.163 0.000 0.933 263 A HN 0.356 nan 8.150 nan 0.000 0.506 264 E N 0.303 120.496 120.200 -0.013 0.000 2.065 264 E HA -0.208 4.144 4.350 0.004 0.000 0.201 264 E C 1.542 178.139 176.600 -0.004 0.000 1.016 264 E CA 1.891 58.282 56.400 -0.014 0.000 0.818 264 E CB -0.013 29.660 29.700 -0.045 0.000 0.749 264 E HN 0.519 nan 8.360 nan 0.000 0.453 265 S N -0.494 115.188 115.700 -0.030 0.000 2.502 265 S HA 0.164 4.636 4.470 0.004 0.000 0.215 265 S C 1.708 176.270 174.600 -0.063 0.000 1.009 265 S CA -0.297 57.884 58.200 -0.032 0.000 0.908 265 S CB 0.223 63.402 63.200 -0.035 0.000 0.801 265 S HN 0.212 nan 8.310 nan 0.000 0.505 266 L N 0.030 121.172 121.223 -0.136 0.000 2.131 266 L HA -0.005 4.338 4.340 0.004 0.000 0.210 266 L C 0.870 177.551 176.870 -0.314 0.000 1.092 266 L CA 1.188 55.866 54.840 -0.270 0.000 0.759 266 L CB -0.270 41.533 42.059 -0.427 0.000 0.903 266 L HN 0.294 nan 8.230 nan 0.000 0.435 267 F N -0.141 119.764 119.950 -0.075 0.000 2.660 267 F HA 0.412 4.941 4.527 0.004 0.000 0.297 267 F C 0.680 176.437 175.800 -0.072 0.000 1.132 267 F CA -0.348 57.590 58.000 -0.103 0.000 1.372 267 F CB -0.257 38.659 39.000 -0.139 0.000 1.003 267 F HN -0.098 nan 8.300 nan 0.000 0.524 268 A N -1.575 121.298 122.820 0.088 0.000 2.606 268 A HA 0.678 5.000 4.320 0.004 0.000 0.293 268 A C 0.765 178.370 177.584 0.036 0.000 1.082 268 A CA -0.129 51.949 52.037 0.068 0.000 0.685 268 A CB 0.955 19.988 19.000 0.055 0.000 1.284 268 A HN 0.548 nan 8.150 nan 0.000 0.408 269 G N -0.622 108.201 108.800 0.038 0.000 2.179 269 G HA2 0.219 4.182 3.960 0.004 0.000 0.220 269 G HA3 0.219 4.182 3.960 0.004 0.000 0.220 269 G C 0.318 175.231 174.900 0.023 0.000 0.990 269 G CA 0.736 45.850 45.100 0.024 0.000 0.646 269 G HN 2.636 nan 8.290 nan 0.000 0.517 270 S N -1.800 113.919 115.700 0.031 0.000 2.636 270 S HA 0.582 5.055 4.470 0.004 0.000 0.266 270 S C 0.409 175.030 174.600 0.036 0.000 1.147 270 S CA 0.050 58.266 58.200 0.027 0.000 0.815 270 S CB 0.850 64.061 63.200 0.019 0.000 1.119 270 S HN -0.022 nan 8.310 nan 0.000 0.470 271 N N 0.737 119.454 118.700 0.028 0.000 2.216 271 N HA -0.048 4.694 4.740 0.004 0.000 0.183 271 N C 1.450 176.982 175.510 0.037 0.000 1.017 271 N CA 1.469 54.537 53.050 0.029 0.000 0.861 271 N CB -0.412 38.086 38.487 0.018 0.000 0.986 271 N HN 0.780 nan 8.380 nan 0.000 0.428 272 E N 1.367 121.586 120.200 0.033 0.000 2.110 272 E HA -0.011 4.341 4.350 0.004 0.000 0.193 272 E C 1.753 178.363 176.600 0.017 0.000 0.988 272 E CA 1.208 57.627 56.400 0.033 0.000 0.804 272 E CB -0.275 29.445 29.700 0.034 0.000 0.745 272 E HN 0.287 nan 8.360 nan 0.000 0.458 273 A N -0.271 122.561 122.820 0.021 0.000 1.933 273 A HA -0.135 4.188 4.320 0.004 0.000 0.218 273 A C 2.383 180.033 177.584 0.111 0.000 1.175 273 A CA 1.810 53.864 52.037 0.029 0.000 0.628 273 A CB -0.539 18.480 19.000 0.032 0.000 0.814 273 A HN 0.282 nan 8.150 nan 0.000 0.444 274 S N -0.626 115.147 115.700 0.121 0.000 2.387 274 S HA -0.095 4.378 4.470 0.004 0.000 0.226 274 S C 1.964 176.667 174.600 0.172 0.000 1.026 274 S CA 1.357 59.683 58.200 0.211 0.000 0.972 274 S CB -0.165 63.140 63.200 0.175 0.000 0.814 274 S HN 0.706 nan 8.310 nan 0.000 0.477 275 K N 1.731 122.179 120.400 0.081 0.000 2.057 275 K HA -0.024 4.299 4.320 0.004 0.000 0.206 275 K C 2.226 178.842 176.600 0.027 0.000 1.050 275 K CA 1.133 57.452 56.287 0.053 0.000 0.935 275 K CB -0.373 32.156 32.500 0.048 0.000 0.715 275 K HN 0.269 nan 8.250 nan 0.000 0.439 276 A N 1.833 124.625 122.820 -0.045 0.000 1.908 276 A HA -0.180 4.142 4.320 0.004 0.000 0.218 276 A C 2.148 179.697 177.584 -0.058 0.000 1.181 276 A CA 1.443 53.303 52.037 -0.296 0.000 0.627 276 A CB -0.688 17.929 19.000 -0.638 0.000 0.818 276 A HN 0.461 nan 8.150 nan 0.000 0.445 277 L N -0.786 120.436 121.223 -0.001 0.000 2.056 277 L HA -0.145 4.198 4.340 0.004 0.000 0.207 277 L C 2.625 179.319 176.870 -0.293 0.000 1.078 277 L CA 2.127 56.682 54.840 -0.474 0.000 0.749 277 L CB -0.597 41.125 42.059 -0.562 0.000 0.901 277 L HN 0.408 nan 8.230 nan 0.000 0.433 278 T N -0.625 113.931 114.554 0.003 0.000 2.684 278 T HA -0.174 4.178 4.350 0.004 0.000 0.267 278 T C 2.001 176.647 174.700 -0.089 0.000 1.036 278 T CA 1.714 63.800 62.100 -0.022 0.000 1.148 278 T CB -0.149 68.746 68.868 0.045 0.000 0.863 278 T HN 0.377 nan 8.240 nan 0.000 0.436 279 S N 1.290 117.001 115.700 0.017 0.000 2.383 279 S HA -0.081 4.391 4.470 0.004 0.000 0.229 279 S C 2.539 177.218 174.600 0.131 0.000 1.030 279 S CA 1.002 59.229 58.200 0.045 0.000 1.002 279 S CB -0.544 62.669 63.200 0.021 0.000 0.829 279 S HN 0.603 nan 8.310 nan 0.000 0.467 280 A N 2.268 125.141 122.820 0.088 0.000 1.877 280 A HA -0.106 4.217 4.320 0.004 0.000 0.216 280 A C 2.181 179.727 177.584 -0.063 0.000 1.186 280 A CA 1.054 53.125 52.037 0.056 0.000 0.620 280 A CB -0.425 18.521 19.000 -0.089 0.000 0.822 280 A HN 0.313 nan 8.150 nan 0.000 0.443 281 R N -1.412 118.964 120.500 -0.206 0.000 2.091 281 R HA -0.130 4.212 4.340 0.004 0.000 0.238 281 R C 1.881 178.069 176.300 -0.187 0.000 1.136 281 R CA 1.473 57.407 56.100 -0.276 0.000 0.959 281 R CB -0.865 29.196 30.300 -0.399 0.000 0.856 281 R HN 0.551 nan 8.270 nan 0.000 0.437 282 F N 0.770 120.671 119.950 -0.081 0.000 2.075 282 F HA -0.170 4.361 4.527 0.006 0.000 0.297 282 F C 2.645 178.431 175.800 -0.023 0.000 1.113 282 F CA 0.840 58.801 58.000 -0.066 0.000 1.218 282 F CB -1.079 37.859 39.000 -0.104 0.000 0.984 282 F HN -0.267 nan 8.300 nan 0.000 0.472 283 V N -0.192 119.848 119.914 0.211 0.000 2.282 283 V HA -0.305 3.818 4.120 0.004 0.000 0.249 283 V C 2.416 178.571 176.094 0.101 0.000 1.057 283 V CA 1.462 63.859 62.300 0.162 0.000 1.032 283 V CB -0.743 31.185 31.823 0.175 0.000 0.645 283 V HN 0.197 nan 8.190 nan 0.000 0.447 284 L N 0.902 122.154 121.223 0.049 0.000 2.141 284 L HA -0.092 4.250 4.340 0.004 0.000 0.209 284 L C 2.707 179.603 176.870 0.044 0.000 1.094 284 L CA 2.305 57.153 54.840 0.013 0.000 0.763 284 L CB -1.279 40.747 42.059 -0.054 0.000 0.908 284 L HN 0.613 nan 8.230 nan 0.000 0.437 285 S N -2.018 113.698 115.700 0.026 0.000 2.447 285 S HA -0.124 4.348 4.470 0.004 0.000 0.233 285 S C 1.505 176.220 174.600 0.192 0.000 1.006 285 S CA 1.019 59.269 58.200 0.084 0.000 0.957 285 S CB -0.249 62.982 63.200 0.051 0.000 0.773 285 S HN 0.423 nan 8.310 nan 0.000 0.507 286 D N 1.195 121.687 120.400 0.152 0.000 2.240 286 D HA 0.097 4.739 4.640 0.004 0.000 0.206 286 D C 1.782 178.158 176.300 0.127 0.000 0.963 286 D CA 0.704 54.785 54.000 0.134 0.000 0.863 286 D CB 0.090 40.955 40.800 0.109 0.000 0.973 286 D HN 0.346 nan 8.370 nan 0.000 0.501 287 K N 0.456 120.931 120.400 0.126 0.000 2.244 287 K HA 0.174 4.497 4.320 0.004 0.000 0.200 287 K C 2.301 179.030 176.600 0.215 0.000 1.052 287 K CA 0.060 56.422 56.287 0.124 0.000 0.980 287 K CB -0.054 32.479 32.500 0.055 0.000 0.838 287 K HN 0.175 nan 8.250 nan 0.000 0.481 288 L N 1.195 122.556 121.223 0.230 0.000 2.156 288 L HA -0.040 4.302 4.340 0.004 0.000 0.208 288 L C -0.750 176.321 176.870 0.335 0.000 1.095 288 L CA 0.625 55.661 54.840 0.326 0.000 0.770 288 L CB -1.614 40.678 42.059 0.387 0.000 0.914 288 L HN 0.016 nan 8.230 nan 0.000 0.439 289 P HA -0.241 nan 4.420 nan 0.000 0.219 289 P C 1.237 178.528 177.300 -0.015 0.000 1.161 289 P CA 1.505 64.594 63.100 -0.019 0.000 0.909 289 P CB 0.019 31.759 31.700 0.067 0.000 0.793 290 E N -2.193 118.039 120.200 0.054 0.000 2.418 290 E HA -0.133 4.220 4.350 0.004 0.000 0.197 290 E C 1.781 178.368 176.600 -0.021 0.000 1.026 290 E CA 0.895 57.293 56.400 -0.003 0.000 0.862 290 E CB -0.710 28.959 29.700 -0.053 0.000 0.799 290 E HN 0.518 nan 8.360 nan 0.000 0.518 291 H N -0.615 118.498 119.070 0.072 0.000 2.436 291 H HA 0.011 4.570 4.556 0.004 0.000 0.294 291 H C 2.057 177.475 175.328 0.150 0.000 1.048 291 H CA 0.823 56.972 56.048 0.169 0.000 1.353 291 H CB 0.301 30.186 29.762 0.205 0.000 1.414 291 H HN -0.076 nan 8.280 nan 0.000 0.536 292 V N 0.228 120.242 119.914 0.167 0.000 2.283 292 V HA -0.231 3.892 4.120 0.004 0.000 0.243 292 V C 2.601 178.705 176.094 0.017 0.000 1.039 292 V CA 2.125 64.459 62.300 0.056 0.000 1.016 292 V CB -0.800 30.927 31.823 -0.160 0.000 0.650 292 V HN 0.667 nan 8.190 nan 0.000 0.449 293 T N -2.724 111.813 114.554 -0.029 0.000 2.962 293 T HA -0.077 4.276 4.350 0.004 0.000 0.270 293 T C 1.014 175.679 174.700 -0.058 0.000 1.088 293 T CA 0.536 62.600 62.100 -0.061 0.000 1.127 293 T CB -0.313 68.502 68.868 -0.089 0.000 0.883 293 T HN 0.114 nan 8.240 nan 0.000 0.493 294 M N 2.803 122.420 119.600 0.028 0.000 2.248 294 M HA 0.260 4.742 4.480 0.004 0.000 0.345 294 M C -2.440 173.932 176.300 0.120 0.000 1.243 294 M CA -2.508 52.855 55.300 0.106 0.000 1.090 294 M CB 0.535 33.311 32.600 0.292 0.000 1.683 294 M HN 0.004 nan 8.290 nan 0.000 0.450 295 P HA 0.002 nan 4.420 nan 0.000 0.262 295 P C -0.630 176.758 177.300 0.147 0.000 1.199 295 P CA 0.092 63.243 63.100 0.086 0.000 0.763 295 P CB 0.299 32.036 31.700 0.061 0.000 0.790 296 D N 1.979 122.448 120.400 0.115 0.000 2.339 296 D HA 0.523 5.165 4.640 0.004 0.000 0.245 296 D C 0.637 177.003 176.300 0.111 0.000 1.115 296 D CA 0.495 54.568 54.000 0.121 0.000 0.917 296 D CB 1.023 41.863 40.800 0.067 0.000 1.192 296 D HN 0.457 nan 8.370 nan 0.000 0.428 297 G N 1.023 109.899 108.800 0.126 0.000 2.561 297 G HA2 0.121 4.084 3.960 0.004 0.000 0.310 297 G HA3 0.121 4.084 3.960 0.004 0.000 0.310 297 G C -0.307 174.664 174.900 0.118 0.000 1.292 297 G CA -0.355 44.819 45.100 0.124 0.000 0.811 297 G HN 0.354 nan 8.290 nan 0.000 0.482 298 D N -0.905 119.578 120.400 0.139 0.000 2.379 298 D HA 0.212 4.855 4.640 0.004 0.000 0.208 298 D C 0.483 176.887 176.300 0.173 0.000 1.065 298 D CA -0.389 53.678 54.000 0.111 0.000 0.848 298 D CB 0.092 40.943 40.800 0.084 0.000 0.949 298 D HN 0.110 nan 8.370 nan 0.000 0.509 299 F N 1.724 121.754 119.950 0.134 0.000 2.623 299 F HA 0.121 4.651 4.527 0.004 0.000 0.383 299 F C 0.385 176.354 175.800 0.281 0.000 1.077 299 F CA -0.017 58.092 58.000 0.181 0.000 1.268 299 F CB 0.562 39.658 39.000 0.160 0.000 1.053 299 F HN -0.286 nan 8.300 nan 0.000 0.571 300 S N 6.813 122.077 115.700 -0.727 0.000 2.647 300 S HA 0.432 4.904 4.470 0.004 0.000 0.300 300 S C 0.880 175.067 174.600 -0.687 0.000 1.129 300 S CA -0.872 57.057 58.200 -0.452 0.000 1.029 300 S CB 0.606 63.688 63.200 -0.197 0.000 1.007 300 S HN 0.669 nan 8.310 nan 0.000 0.484 301 I N 4.379 124.726 120.570 -0.372 0.000 2.454 301 I HA -0.138 4.034 4.170 0.004 0.000 0.254 301 I C 2.561 178.761 176.117 0.140 0.000 1.156 301 I CA 0.876 62.111 61.300 -0.109 0.000 1.433 301 I CB -0.149 37.869 38.000 0.030 0.000 1.082 301 I HN 0.642 nan 8.210 nan 0.000 0.432 302 R N 0.285 120.816 120.500 0.052 0.000 2.062 302 R HA -0.073 4.270 4.340 0.004 0.000 0.229 302 R C 2.549 178.882 176.300 0.055 0.000 1.128 302 R CA 1.592 57.739 56.100 0.079 0.000 0.960 302 R CB -0.389 29.928 30.300 0.028 0.000 0.855 302 R HN 0.240 nan 8.270 nan 0.000 0.432 303 S N 0.537 116.238 115.700 0.002 0.000 2.356 303 S HA -0.201 4.271 4.470 0.004 0.000 0.223 303 S C 1.402 176.032 174.600 0.051 0.000 1.032 303 S CA 1.322 59.525 58.200 0.005 0.000 1.005 303 S CB -0.428 62.760 63.200 -0.019 0.000 0.867 303 S HN 0.484 nan 8.310 nan 0.000 0.449 304 W N 2.462 123.705 121.300 -0.094 0.000 2.318 304 W HA -0.158 4.505 4.660 0.005 0.000 0.313 304 W C 1.663 178.212 176.519 0.050 0.000 1.221 304 W CA 1.285 58.648 57.345 0.029 0.000 1.266 304 W CB -0.577 28.936 29.460 0.089 0.000 1.150 304 W HN 0.199 nan 8.180 nan 0.000 0.496 305 L N 0.313 121.537 121.223 0.000 0.000 2.131 305 L HA -0.196 4.146 4.340 0.004 0.000 0.210 305 L C 2.225 178.965 176.870 -0.215 0.000 1.092 305 L CA 1.702 56.417 54.840 -0.209 0.000 0.759 305 L CB -0.695 41.407 42.059 0.073 0.000 0.903 305 L HN 0.085 nan 8.230 nan 0.000 0.435 306 E N -1.052 119.078 120.200 -0.116 0.000 2.371 306 E HA -0.092 4.260 4.350 0.004 0.000 0.194 306 E C 0.271 176.806 176.600 -0.109 0.000 1.012 306 E CA -0.047 56.300 56.400 -0.088 0.000 0.860 306 E CB 0.147 29.826 29.700 -0.035 0.000 0.811 306 E HN 0.221 nan 8.360 nan 0.000 0.502 307 D N 0.956 121.264 120.400 -0.154 0.000 2.352 307 D HA 0.045 4.688 4.640 0.004 0.000 0.245 307 D C -1.852 174.342 176.300 -0.177 0.000 1.224 307 D CA -2.428 51.495 54.000 -0.128 0.000 0.879 307 D CB 1.303 42.052 40.800 -0.086 0.000 1.057 307 D HN -0.168 nan 8.370 nan 0.000 0.491 308 P HA -0.060 nan 4.420 nan 0.000 0.219 308 P C 0.071 177.320 177.300 -0.084 0.000 1.146 308 P CA 0.861 63.900 63.100 -0.102 0.000 0.808 308 P CB 0.272 31.937 31.700 -0.059 0.000 0.779 309 N N -1.324 117.341 118.700 -0.058 0.000 2.389 309 N HA 0.116 4.858 4.740 0.004 0.000 0.260 309 N C 1.313 176.825 175.510 0.003 0.000 1.191 309 N CA 0.180 53.219 53.050 -0.017 0.000 0.885 309 N CB 0.283 38.772 38.487 0.004 0.000 1.162 309 N HN 0.122 nan 8.380 nan 0.000 0.512 310 G N 0.145 108.908 108.800 -0.062 0.000 2.623 310 G HA2 0.280 4.242 3.960 0.004 0.000 0.214 310 G HA3 0.280 4.242 3.960 0.004 0.000 0.214 310 G C 0.990 176.012 174.900 0.204 0.000 1.138 310 G CA 0.530 45.636 45.100 0.011 0.000 0.794 310 G HN 0.529 nan 8.290 nan 0.000 0.535 311 G N 0.084 108.963 108.800 0.131 0.000 2.499 311 G HA2 -0.204 3.759 3.960 0.004 0.000 0.232 311 G HA3 -0.204 3.759 3.960 0.004 0.000 0.232 311 G C -0.577 174.562 174.900 0.399 0.000 1.251 311 G CA -0.131 45.114 45.100 0.241 0.000 0.917 311 G HN 0.538 nan 8.290 nan 0.000 0.580 312 N N -0.390 118.591 118.700 0.468 0.000 2.362 312 N HA 0.678 5.420 4.740 0.004 0.000 0.299 312 N C -0.848 174.901 175.510 0.399 0.000 1.170 312 N CA -0.573 52.776 53.050 0.497 0.000 0.825 312 N CB 2.114 40.784 38.487 0.304 0.000 1.299 312 N HN 0.682 nan 8.380 nan 0.000 0.502 313 L N 1.253 122.525 121.223 0.081 0.000 2.333 313 L HA 0.530 4.872 4.340 0.004 0.000 0.280 313 L C -1.414 175.296 176.870 -0.268 0.000 1.004 313 L CA -0.670 54.020 54.840 -0.250 0.000 0.820 313 L CB 0.565 42.133 42.059 -0.818 0.000 1.247 313 L HN 0.384 nan 8.230 nan 0.000 0.416 314 F N 5.694 125.536 119.950 -0.179 0.000 2.366 314 F HA 0.418 4.947 4.527 0.003 0.000 0.366 314 F C 0.171 175.906 175.800 -0.109 0.000 1.096 314 F CA -0.473 57.470 58.000 -0.096 0.000 1.060 314 F CB 1.169 40.133 39.000 -0.061 0.000 1.282 314 F HN 0.232 nan 8.300 nan 0.000 0.450 315 I N 3.928 124.539 120.570 0.069 0.000 2.308 315 I HA 0.199 4.371 4.170 0.004 0.000 0.293 315 I C 0.505 176.839 176.117 0.362 0.000 1.078 315 I CA -0.034 61.348 61.300 0.136 0.000 1.292 315 I CB 0.226 38.360 38.000 0.225 0.000 1.423 315 I HN 0.590 nan 8.210 nan 0.000 0.493 316 T N 2.091 116.842 114.554 0.329 0.000 2.938 316 T HA 0.809 5.162 4.350 0.004 0.000 0.285 316 T C -0.955 174.043 174.700 0.497 0.000 1.028 316 T CA -0.758 61.512 62.100 0.283 0.000 1.005 316 T CB 1.988 70.932 68.868 0.127 0.000 1.157 316 T HN 0.696 nan 8.240 nan 0.000 0.550 317 W N -0.997 120.302 121.300 -0.003 0.000 3.370 317 W HA 0.519 5.180 4.660 0.001 0.000 0.304 317 W C -1.667 174.738 176.519 -0.190 0.000 1.161 317 W CA -1.131 56.172 57.345 -0.069 0.000 1.132 317 W CB 0.730 30.205 29.460 0.025 0.000 1.377 317 W HN 0.736 nan 8.180 nan 0.000 0.568 318 R N 2.355 122.763 120.500 -0.153 0.000 2.438 318 R HA 0.111 4.454 4.340 0.004 0.000 0.287 318 R C 0.670 176.962 176.300 -0.014 0.000 1.077 318 R CA -0.289 55.656 56.100 -0.258 0.000 1.034 318 R CB 1.274 31.370 30.300 -0.339 0.000 0.993 318 R HN 0.794 nan 8.270 nan 0.000 0.459 319 E N 1.326 121.474 120.200 -0.086 0.000 2.338 319 E HA -0.170 4.182 4.350 0.004 0.000 0.197 319 E C 0.746 177.387 176.600 0.069 0.000 1.007 319 E CA 1.140 57.567 56.400 0.045 0.000 0.849 319 E CB 0.176 29.862 29.700 -0.023 0.000 0.774 319 E HN 0.572 nan 8.360 nan 0.000 0.506 320 D N -0.342 120.064 120.400 0.009 0.000 2.363 320 D HA -0.138 4.504 4.640 0.004 0.000 0.220 320 D C 1.245 177.547 176.300 0.004 0.000 0.994 320 D CA 0.636 54.637 54.000 0.001 0.000 0.890 320 D CB -0.020 40.764 40.800 -0.026 0.000 0.906 320 D HN 0.209 nan 8.370 nan 0.000 0.530 321 M N 0.006 119.625 119.600 0.031 0.000 2.496 321 M HA 0.314 4.796 4.480 0.004 0.000 0.330 321 M C 1.622 177.954 176.300 0.055 0.000 1.133 321 M CA -0.168 55.140 55.300 0.012 0.000 0.964 321 M CB 1.518 34.083 32.600 -0.057 0.000 1.401 321 M HN 0.045 nan 8.290 nan 0.000 0.520 322 G N 2.794 111.665 108.800 0.118 0.000 2.514 322 G HA2 -0.184 3.778 3.960 0.004 0.000 0.217 322 G HA3 -0.184 3.778 3.960 0.004 0.000 0.217 322 G C -0.639 174.231 174.900 -0.050 0.000 1.198 322 G CA 0.821 45.968 45.100 0.078 0.000 0.780 322 G HN 0.308 nan 8.290 nan 0.000 0.565 323 P HA -0.137 nan 4.420 nan 0.000 0.215 323 P C 2.115 179.389 177.300 -0.043 0.000 1.157 323 P CA 2.259 65.343 63.100 -0.027 0.000 0.874 323 P CB -0.319 31.379 31.700 -0.003 0.000 0.790 324 A N -0.022 122.780 122.820 -0.031 0.000 1.908 324 A HA -0.124 4.198 4.320 0.004 0.000 0.218 324 A C 2.268 179.820 177.584 -0.053 0.000 1.181 324 A CA 1.514 53.540 52.037 -0.019 0.000 0.627 324 A CB -1.529 17.474 19.000 0.005 0.000 0.818 324 A HN 0.192 nan 8.150 nan 0.000 0.445 325 L N -1.202 119.956 121.223 -0.109 0.000 2.611 325 L HA 0.141 4.483 4.340 0.004 0.000 0.229 325 L C 2.277 178.959 176.870 -0.313 0.000 1.137 325 L CA -0.067 54.651 54.840 -0.202 0.000 0.901 325 L CB -0.248 41.688 42.059 -0.206 0.000 1.098 325 L HN 0.391 nan 8.230 nan 0.000 0.456 326 R N 1.526 121.882 120.500 -0.240 0.000 2.080 326 R HA -0.138 4.204 4.340 0.004 0.000 0.236 326 R C -0.463 175.713 176.300 -0.207 0.000 1.137 326 R CA 1.775 57.733 56.100 -0.236 0.000 0.943 326 R CB -0.977 29.241 30.300 -0.136 0.000 0.846 326 R HN 0.238 nan 8.270 nan 0.000 0.431 327 P HA -0.170 nan 4.420 nan 0.000 0.218 327 P C 1.613 178.808 177.300 -0.176 0.000 1.149 327 P CA 1.111 64.150 63.100 -0.100 0.000 0.817 327 P CB -0.119 31.572 31.700 -0.014 0.000 0.785 328 L N -0.645 120.365 121.223 -0.356 0.000 2.023 328 L HA -0.090 4.252 4.340 0.004 0.000 0.205 328 L C 2.638 178.953 176.870 -0.925 0.000 1.073 328 L CA 1.427 55.814 54.840 -0.755 0.000 0.745 328 L CB -0.628 40.903 42.059 -0.879 0.000 0.900 328 L HN -0.153 nan 8.230 nan 0.000 0.435 329 I N -0.650 119.528 120.570 -0.653 0.000 2.264 329 I HA -0.308 3.865 4.170 0.004 0.000 0.248 329 I C 2.515 178.506 176.117 -0.211 0.000 1.111 329 I CA 1.249 62.311 61.300 -0.397 0.000 1.382 329 I CB -0.243 37.466 38.000 -0.485 0.000 1.060 329 I HN 0.188 nan 8.210 nan 0.000 0.418 330 S N 0.636 116.214 115.700 -0.204 0.000 2.402 330 S HA -0.123 4.350 4.470 0.004 0.000 0.229 330 S C 2.254 176.833 174.600 -0.034 0.000 1.021 330 S CA 1.150 59.303 58.200 -0.078 0.000 0.974 330 S CB -0.334 62.825 63.200 -0.068 0.000 0.800 330 S HN 0.547 nan 8.310 nan 0.000 0.484 331 A N 1.606 124.362 122.820 -0.108 0.000 1.858 331 A HA -0.113 4.210 4.320 0.004 0.000 0.216 331 A C 1.892 179.523 177.584 0.078 0.000 1.190 331 A CA 1.280 53.316 52.037 -0.002 0.000 0.617 331 A CB -0.934 18.083 19.000 0.028 0.000 0.827 331 A HN 0.616 nan 8.150 nan 0.000 0.443 332 W N 0.095 121.365 121.300 -0.049 0.000 2.335 332 W HA -0.115 4.547 4.660 0.004 0.000 0.311 332 W C 2.328 178.832 176.519 -0.025 0.000 1.213 332 W CA 1.212 58.475 57.345 -0.136 0.000 1.274 332 W CB -1.435 27.867 29.460 -0.264 0.000 1.148 332 W HN 0.196 nan 8.180 nan 0.000 0.498 333 V N 0.333 120.382 119.914 0.224 0.000 2.343 333 V HA -0.297 3.825 4.120 0.004 0.000 0.247 333 V C 1.801 177.990 176.094 0.158 0.000 1.051 333 V CA 2.435 64.837 62.300 0.170 0.000 1.036 333 V CB -1.085 30.820 31.823 0.136 0.000 0.654 333 V HN 0.027 nan 8.190 nan 0.000 0.451 334 D N -0.357 120.133 120.400 0.150 0.000 2.149 334 D HA -0.123 4.519 4.640 0.004 0.000 0.201 334 D C 2.040 178.456 176.300 0.193 0.000 0.972 334 D CA 0.901 54.986 54.000 0.141 0.000 0.835 334 D CB 0.049 40.916 40.800 0.112 0.000 0.966 334 D HN 0.173 nan 8.370 nan 0.000 0.476 335 V N -0.105 119.979 119.914 0.282 0.000 2.287 335 V HA -0.247 3.876 4.120 0.004 0.000 0.248 335 V C 2.464 178.756 176.094 0.331 0.000 1.053 335 V CA 1.380 63.931 62.300 0.417 0.000 1.027 335 V CB -0.362 31.735 31.823 0.458 0.000 0.646 335 V HN 0.188 nan 8.190 nan 0.000 0.447 336 V N -1.368 118.694 119.914 0.246 0.000 2.407 336 V HA -0.275 3.847 4.120 0.004 0.000 0.248 336 V C 2.473 178.671 176.094 0.173 0.000 1.055 336 V CA 2.064 64.494 62.300 0.217 0.000 1.049 336 V CB -0.790 31.148 31.823 0.192 0.000 0.662 336 V HN 0.647 nan 8.190 nan 0.000 0.455 337 C N 0.593 119.977 119.300 0.141 0.000 2.440 337 C HA -0.129 4.334 4.460 0.004 0.000 0.278 337 C C 2.992 178.026 174.990 0.074 0.000 1.295 337 C CA 1.742 60.812 59.018 0.087 0.000 1.738 337 C CB -1.186 26.593 27.740 0.065 0.000 1.987 337 C HN 0.757 nan 8.230 nan 0.000 0.492 338 T N -0.730 113.875 114.554 0.086 0.000 2.894 338 T HA -0.071 4.282 4.350 0.004 0.000 0.258 338 T C 1.855 176.616 174.700 0.102 0.000 1.043 338 T CA 1.448 63.575 62.100 0.044 0.000 1.141 338 T CB -0.526 68.298 68.868 -0.073 0.000 0.873 338 T HN 0.457 nan 8.240 nan 0.000 0.449 339 S N 2.740 118.554 115.700 0.191 0.000 2.372 339 S HA -0.123 4.350 4.470 0.004 0.000 0.227 339 S C 2.176 176.865 174.600 0.149 0.000 1.044 339 S CA 1.555 59.889 58.200 0.223 0.000 1.050 339 S CB -0.697 62.669 63.200 0.276 0.000 0.901 339 S HN 0.706 nan 8.310 nan 0.000 0.447 340 I N -0.264 120.381 120.570 0.124 0.000 2.700 340 I HA -0.043 4.130 4.170 0.004 0.000 0.261 340 I C 1.462 177.615 176.117 0.060 0.000 1.219 340 I CA 1.357 62.707 61.300 0.084 0.000 1.463 340 I CB -0.926 37.115 38.000 0.068 0.000 1.092 340 I HN 0.162 nan 8.210 nan 0.000 0.452 341 L N 1.110 122.371 121.223 0.064 0.000 2.478 341 L HA 0.056 4.398 4.340 0.004 0.000 0.223 341 L C 2.268 179.173 176.870 0.059 0.000 1.140 341 L CA 1.168 56.036 54.840 0.048 0.000 0.842 341 L CB -0.733 41.351 42.059 0.042 0.000 0.953 341 L HN 0.213 nan 8.230 nan 0.000 0.452 342 S N -1.428 114.321 115.700 0.082 0.000 2.511 342 S HA 0.269 4.742 4.470 0.004 0.000 0.214 342 S C 0.756 175.394 174.600 0.064 0.000 0.997 342 S CA -0.401 57.854 58.200 0.092 0.000 0.908 342 S CB 0.163 63.441 63.200 0.130 0.000 0.803 342 S HN 0.139 nan 8.310 nan 0.000 0.504 343 L N 4.203 125.456 121.223 0.050 0.000 2.499 343 L HA 0.178 4.520 4.340 0.004 0.000 0.273 343 L C -1.913 174.967 176.870 0.016 0.000 1.195 343 L CA -1.400 53.456 54.840 0.028 0.000 0.882 343 L CB -0.175 41.894 42.059 0.016 0.000 1.133 343 L HN 0.062 nan 8.230 nan 0.000 0.483 344 P HA -0.017 nan 4.420 nan 0.000 0.267 344 P C -0.466 176.831 177.300 -0.005 0.000 1.205 344 P CA -0.270 62.832 63.100 0.004 0.000 0.765 344 P CB 0.607 32.308 31.700 0.002 0.000 0.828 345 E N 1.884 122.081 120.200 -0.006 0.000 2.585 345 E HA -0.080 4.272 4.350 0.004 0.000 0.252 345 E C -0.310 176.280 176.600 -0.017 0.000 0.981 345 E CA 0.421 56.813 56.400 -0.013 0.000 0.943 345 E CB 0.142 29.834 29.700 -0.013 0.000 0.923 345 E HN 0.283 nan 8.360 nan 0.000 0.486 346 E N 5.645 125.832 120.200 -0.022 0.000 2.460 346 E HA 0.263 4.615 4.350 0.004 0.000 0.249 346 E C -2.345 174.238 176.600 -0.029 0.000 0.962 346 E CA -2.120 54.265 56.400 -0.025 0.000 0.787 346 E CB 1.245 30.928 29.700 -0.028 0.000 1.341 346 E HN 0.295 nan 8.360 nan 0.000 0.407 347 P HA -0.165 nan 4.420 nan 0.000 0.218 347 P C 0.438 177.720 177.300 -0.031 0.000 1.146 347 P CA 1.049 64.131 63.100 -0.030 0.000 0.813 347 P CB 0.373 32.058 31.700 -0.025 0.000 0.778 348 K N -1.256 119.128 120.400 -0.026 0.000 2.296 348 K HA 0.001 4.324 4.320 0.004 0.000 0.200 348 K C 1.074 177.659 176.600 -0.025 0.000 1.048 348 K CA 0.182 56.455 56.287 -0.022 0.000 0.966 348 K CB -0.205 32.285 32.500 -0.018 0.000 0.754 348 K HN 0.041 nan 8.250 nan 0.000 0.466 349 R N 1.337 121.816 120.500 -0.034 0.000 2.491 349 R HA 0.136 4.478 4.340 0.004 0.000 0.283 349 R C -0.791 175.479 176.300 -0.051 0.000 1.072 349 R CA 0.240 56.316 56.100 -0.040 0.000 1.048 349 R CB 0.406 30.677 30.300 -0.049 0.000 0.983 349 R HN -0.045 nan 8.270 nan 0.000 0.450 350 R N 4.655 125.132 120.500 -0.037 0.000 2.575 350 R HA 0.310 4.652 4.340 0.004 0.000 0.292 350 R C -1.324 174.958 176.300 -0.029 0.000 1.246 350 R CA -0.682 55.379 56.100 -0.066 0.000 0.973 350 R CB 1.468 31.775 30.300 0.011 0.000 1.187 350 R HN 0.339 nan 8.270 nan 0.000 0.478 351 L N 3.632 124.789 121.223 -0.110 0.000 2.341 351 L HA 0.542 4.884 4.340 0.004 0.000 0.278 351 L C -1.363 175.456 176.870 -0.086 0.000 1.005 351 L CA -0.549 54.295 54.840 0.007 0.000 0.818 351 L CB 1.187 43.262 42.059 0.026 0.000 1.259 351 L HN 0.647 nan 8.230 nan 0.000 0.418 352 W N 5.674 127.062 121.300 0.146 0.000 2.478 352 W HA 0.464 5.126 4.660 0.003 0.000 0.318 352 W C -0.252 176.392 176.519 0.209 0.000 1.062 352 W CA -0.442 57.002 57.345 0.165 0.000 1.210 352 W CB 1.431 31.084 29.460 0.323 0.000 1.325 352 W HN 0.220 nan 8.180 nan 0.000 0.496 353 L N 4.746 126.136 121.223 0.279 0.000 2.295 353 L HA 0.440 4.782 4.340 0.004 0.000 0.281 353 L C -1.443 175.539 176.870 0.187 0.000 1.018 353 L CA -0.807 54.175 54.840 0.237 0.000 0.841 353 L CB 0.330 42.463 42.059 0.124 0.000 1.218 353 L HN 0.334 nan 8.230 nan 0.000 0.424 354 F N 5.723 125.777 119.950 0.173 0.000 2.334 354 F HA 0.364 4.893 4.527 0.003 0.000 0.365 354 F C 0.581 176.464 175.800 0.139 0.000 1.124 354 F CA -0.288 57.802 58.000 0.151 0.000 1.166 354 F CB 0.716 39.763 39.000 0.077 0.000 1.355 354 F HN 0.278 nan 8.300 nan 0.000 0.532 355 I N 3.591 124.302 120.570 0.236 0.000 2.291 355 I HA 0.049 4.221 4.170 0.004 0.000 0.292 355 I C 1.092 177.333 176.117 0.208 0.000 1.064 355 I CA -0.217 61.212 61.300 0.215 0.000 1.269 355 I CB 0.802 38.904 38.000 0.172 0.000 1.418 355 I HN 0.506 nan 8.210 nan 0.000 0.485 356 D N 5.192 125.739 120.400 0.245 0.000 2.240 356 D HA -0.264 4.378 4.640 0.004 0.000 0.204 356 D C 0.725 177.119 176.300 0.156 0.000 1.018 356 D CA 1.815 55.941 54.000 0.211 0.000 0.887 356 D CB 0.332 41.279 40.800 0.245 0.000 1.087 356 D HN 0.523 nan 8.370 nan 0.000 0.464 357 E N -0.780 119.520 120.200 0.167 0.000 2.141 357 E HA 0.212 4.564 4.350 0.004 0.000 0.259 357 E C 0.409 177.072 176.600 0.105 0.000 0.883 357 E CA -0.417 56.051 56.400 0.113 0.000 0.744 357 E CB 0.860 30.633 29.700 0.120 0.000 1.150 357 E HN 0.228 nan 8.360 nan 0.000 0.420 358 L N 4.558 125.817 121.223 0.061 0.000 2.013 358 L HA -0.092 4.251 4.340 0.004 0.000 0.212 358 L C 1.768 178.699 176.870 0.102 0.000 1.073 358 L CA 2.743 57.621 54.840 0.064 0.000 0.753 358 L CB -0.594 41.451 42.059 -0.023 0.000 0.890 358 L HN 0.672 nan 8.230 nan 0.000 0.432 359 A N -2.388 120.479 122.820 0.079 0.000 2.239 359 A HA -0.039 4.283 4.320 0.004 0.000 0.209 359 A C 2.337 179.983 177.584 0.104 0.000 1.171 359 A CA 1.264 53.370 52.037 0.115 0.000 0.768 359 A CB -0.564 18.481 19.000 0.075 0.000 0.790 359 A HN 0.483 nan 8.150 nan 0.000 0.478 360 S N -0.757 115.001 115.700 0.096 0.000 2.501 360 S HA 0.290 4.763 4.470 0.004 0.000 0.220 360 S C 0.711 175.339 174.600 0.046 0.000 0.997 360 S CA -0.119 58.129 58.200 0.080 0.000 0.919 360 S CB -0.252 63.018 63.200 0.117 0.000 0.778 360 S HN 0.500 nan 8.310 nan 0.000 0.523 361 L N 1.197 122.458 121.223 0.064 0.000 2.454 361 L HA 0.421 4.764 4.340 0.004 0.000 0.256 361 L C 0.759 177.647 176.870 0.031 0.000 1.136 361 L CA -0.639 54.217 54.840 0.028 0.000 0.804 361 L CB 0.453 42.552 42.059 0.066 0.000 1.181 361 L HN 0.096 nan 8.230 nan 0.000 0.469 362 E N 0.361 120.551 120.200 -0.017 0.000 2.605 362 E HA 0.005 4.358 4.350 0.004 0.000 0.255 362 E C -0.341 176.189 176.600 -0.116 0.000 1.369 362 E CA -0.322 56.040 56.400 -0.062 0.000 1.017 362 E CB 0.515 30.174 29.700 -0.069 0.000 1.086 362 E HN 0.300 nan 8.360 nan 0.000 0.605 363 K N 1.864 122.089 120.400 -0.291 0.000 2.220 363 K HA 0.127 4.450 4.320 0.004 0.000 0.283 363 K C -0.784 175.653 176.600 -0.271 0.000 1.098 363 K CA -0.137 55.750 56.287 -0.666 0.000 0.928 363 K CB -0.339 31.757 32.500 -0.674 0.000 1.214 363 K HN 0.357 nan 8.250 nan 0.000 0.442 364 L N 3.793 125.009 121.223 -0.012 0.000 2.410 364 L HA 0.067 4.410 4.340 0.004 0.000 0.273 364 L C 1.416 178.343 176.870 0.095 0.000 1.152 364 L CA -0.373 54.522 54.840 0.092 0.000 0.855 364 L CB 1.078 43.240 42.059 0.172 0.000 1.129 364 L HN 0.745 nan 8.230 nan 0.000 0.463 365 A N 2.177 125.022 122.820 0.042 0.000 1.970 365 A HA -0.054 4.268 4.320 0.004 0.000 0.216 365 A C 2.011 179.617 177.584 0.036 0.000 1.170 365 A CA 1.291 53.345 52.037 0.028 0.000 0.645 365 A CB -0.094 18.906 19.000 0.000 0.000 0.816 365 A HN 0.766 nan 8.150 nan 0.000 0.447 366 S N -0.607 115.117 115.700 0.040 0.000 2.511 366 S HA 0.203 4.675 4.470 0.004 0.000 0.214 366 S C 1.591 176.207 174.600 0.027 0.000 0.997 366 S CA -0.058 58.158 58.200 0.027 0.000 0.908 366 S CB -0.106 63.106 63.200 0.021 0.000 0.803 366 S HN 0.465 nan 8.310 nan 0.000 0.504 367 L N 2.030 123.284 121.223 0.052 0.000 1.978 367 L HA -0.283 4.060 4.340 0.004 0.000 0.218 367 L C 2.735 179.584 176.870 -0.035 0.000 1.075 367 L CA 1.986 56.840 54.840 0.023 0.000 0.767 367 L CB -0.816 41.291 42.059 0.081 0.000 0.890 367 L HN 0.411 nan 8.230 nan 0.000 0.434 368 A N -0.429 122.389 122.820 -0.003 0.000 1.903 368 A HA -0.315 4.007 4.320 0.004 0.000 0.219 368 A C 1.888 179.443 177.584 -0.049 0.000 1.191 368 A CA 2.357 54.376 52.037 -0.031 0.000 0.638 368 A CB -0.796 18.211 19.000 0.012 0.000 0.823 368 A HN 0.565 nan 8.150 nan 0.000 0.451 369 D N -0.371 120.013 120.400 -0.027 0.000 2.097 369 D HA -0.020 4.623 4.640 0.004 0.000 0.197 369 D C 2.318 178.594 176.300 -0.040 0.000 0.984 369 D CA 1.495 55.479 54.000 -0.027 0.000 0.826 369 D CB -0.492 40.300 40.800 -0.013 0.000 0.973 369 D HN 0.431 nan 8.370 nan 0.000 0.460 370 A N 0.940 123.730 122.820 -0.049 0.000 1.908 370 A HA -0.131 4.192 4.320 0.004 0.000 0.218 370 A C 2.346 179.857 177.584 -0.122 0.000 1.181 370 A CA 0.924 52.924 52.037 -0.063 0.000 0.627 370 A CB -0.814 18.152 19.000 -0.056 0.000 0.818 370 A HN 0.229 nan 8.150 nan 0.000 0.445 371 L N -1.367 119.725 121.223 -0.220 0.000 2.456 371 L HA -0.059 4.283 4.340 0.004 0.000 0.224 371 L C 2.275 179.105 176.870 -0.067 0.000 1.148 371 L CA 1.447 56.061 54.840 -0.376 0.000 0.825 371 L CB -0.193 41.556 42.059 -0.517 0.000 0.937 371 L HN 0.446 nan 8.230 nan 0.000 0.450 372 T N -1.656 112.872 114.554 -0.044 0.000 2.975 372 T HA 0.130 4.482 4.350 0.004 0.000 0.261 372 T C 1.225 175.920 174.700 -0.008 0.000 0.984 372 T CA 0.132 62.224 62.100 -0.013 0.000 0.911 372 T CB 0.330 69.181 68.868 -0.028 0.000 1.127 372 T HN 0.187 nan 8.240 nan 0.000 0.514 373 K N -0.107 120.287 120.400 -0.009 0.000 2.483 373 K HA 0.332 4.654 4.320 0.004 0.000 0.206 373 K C 1.467 178.062 176.600 -0.008 0.000 1.086 373 K CA -0.037 56.243 56.287 -0.011 0.000 1.052 373 K CB 0.991 33.483 32.500 -0.013 0.000 0.904 373 K HN 0.096 nan 8.250 nan 0.000 0.557 374 G N 1.037 109.839 108.800 0.002 0.000 3.088 374 G HA2 -0.108 3.854 3.960 0.004 0.000 0.212 374 G HA3 -0.108 3.854 3.960 0.004 0.000 0.212 374 G C 1.296 176.182 174.900 -0.023 0.000 1.173 374 G CA -0.122 44.977 45.100 -0.001 0.000 0.779 374 G HN -0.017 nan 8.290 nan 0.000 0.540 375 R N 1.479 121.957 120.500 -0.038 0.000 2.082 375 R HA -0.064 4.278 4.340 0.004 0.000 0.234 375 R C 2.270 178.532 176.300 -0.063 0.000 1.136 375 R CA 1.529 57.586 56.100 -0.072 0.000 0.935 375 R CB -0.458 29.799 30.300 -0.071 0.000 0.842 375 R HN 0.355 nan 8.270 nan 0.000 0.430 376 K N -0.250 120.123 120.400 -0.044 0.000 2.152 376 K HA -0.086 4.236 4.320 0.004 0.000 0.206 376 K C 1.928 178.506 176.600 -0.036 0.000 1.048 376 K CA 1.537 57.802 56.287 -0.037 0.000 0.933 376 K CB -0.156 32.329 32.500 -0.026 0.000 0.721 376 K HN 0.197 nan 8.250 nan 0.000 0.447 377 A N 0.591 123.392 122.820 -0.032 0.000 2.167 377 A HA 0.166 4.489 4.320 0.004 0.000 0.214 377 A C 1.499 179.053 177.584 -0.049 0.000 1.151 377 A CA 0.817 52.838 52.037 -0.028 0.000 0.735 377 A CB -0.363 18.632 19.000 -0.009 0.000 0.802 377 A HN 0.419 nan 8.150 nan 0.000 0.467 378 G N -1.113 107.644 108.800 -0.071 0.000 2.160 378 G HA2 -0.191 3.771 3.960 0.004 0.000 0.244 378 G HA3 -0.191 3.771 3.960 0.004 0.000 0.244 378 G C 0.073 174.880 174.900 -0.156 0.000 1.022 378 G CA 0.217 45.249 45.100 -0.114 0.000 0.741 378 G HN 0.571 nan 8.290 nan 0.000 0.508 379 L N -0.074 121.085 121.223 -0.107 0.000 2.416 379 L HA 0.566 4.909 4.340 0.004 0.000 0.272 379 L C 0.447 177.230 176.870 -0.145 0.000 1.161 379 L CA 0.104 54.888 54.840 -0.093 0.000 0.845 379 L CB 0.467 42.520 42.059 -0.011 0.000 1.119 379 L HN 0.336 nan 8.230 nan 0.000 0.464 380 R N 3.856 124.196 120.500 -0.266 0.000 2.500 380 R HA 0.461 4.803 4.340 0.004 0.000 0.299 380 R C -1.255 174.976 176.300 -0.114 0.000 1.038 380 R CA -0.584 55.278 56.100 -0.397 0.000 0.903 380 R CB 2.061 31.541 30.300 -1.367 0.000 1.177 380 R HN 0.350 nan 8.270 nan 0.000 0.455 381 V N 3.336 123.360 119.914 0.184 0.000 2.472 381 V HA 0.474 4.597 4.120 0.004 0.000 0.290 381 V C -0.126 176.083 176.094 0.193 0.000 1.037 381 V CA -0.846 61.485 62.300 0.053 0.000 0.908 381 V CB 1.948 33.639 31.823 -0.220 0.000 0.985 381 V HN 0.401 nan 8.190 nan 0.000 0.454 382 V N 3.751 123.709 119.914 0.073 0.000 2.407 382 V HA 0.836 4.958 4.120 0.004 0.000 0.291 382 V C 0.151 176.292 176.094 0.079 0.000 1.018 382 V CA -0.316 62.008 62.300 0.040 0.000 0.842 382 V CB 1.499 33.109 31.823 -0.356 0.000 0.996 382 V HN 1.056 nan 8.190 nan 0.000 0.426 383 A N 3.617 126.482 122.820 0.074 0.000 2.386 383 A HA 0.934 5.256 4.320 0.004 0.000 0.311 383 A C 0.068 177.571 177.584 -0.135 0.000 1.068 383 A CA -0.244 51.763 52.037 -0.050 0.000 0.743 383 A CB 1.815 20.713 19.000 -0.169 0.000 1.258 383 A HN 1.003 nan 8.150 nan 0.000 0.429 384 G N 0.620 109.390 108.800 -0.051 0.000 2.389 384 G HA2 0.590 4.553 3.960 0.004 0.000 0.328 384 G HA3 0.590 4.553 3.960 0.004 0.000 0.328 384 G C -1.089 173.770 174.900 -0.068 0.000 1.133 384 G CA -0.288 44.787 45.100 -0.042 0.000 0.891 384 G HN 0.483 nan 8.290 nan 0.000 0.485 385 L N 0.180 121.359 121.223 -0.073 0.000 2.415 385 L HA 0.515 4.857 4.340 0.004 0.000 0.256 385 L C 0.463 177.315 176.870 -0.032 0.000 1.010 385 L CA -0.576 54.225 54.840 -0.065 0.000 0.826 385 L CB 1.771 43.761 42.059 -0.114 0.000 1.405 385 L HN 0.752 nan 8.230 nan 0.000 0.410 386 Q N -0.248 119.542 119.800 -0.016 0.000 2.243 386 Q HA 0.330 4.672 4.340 0.004 0.000 0.167 386 Q C -0.334 175.662 176.000 -0.006 0.000 0.619 386 Q CA -0.227 55.574 55.803 -0.004 0.000 0.745 386 Q CB 0.565 29.308 28.738 0.009 0.000 1.071 386 Q HN 0.614 nan 8.270 nan 0.000 0.502 387 S N 0.726 116.426 115.700 -0.000 0.000 2.525 387 S HA 0.138 4.610 4.470 0.004 0.000 0.278 387 S C 0.671 175.269 174.600 -0.004 0.000 1.234 387 S CA -0.310 57.890 58.200 -0.000 0.000 1.058 387 S CB 1.506 64.710 63.200 0.006 0.000 0.983 387 S HN 0.279 nan 8.310 nan 0.000 0.495 388 T N 2.987 117.536 114.554 -0.007 0.000 2.699 388 T HA -0.170 4.183 4.350 0.004 0.000 0.268 388 T C 2.222 176.923 174.700 0.002 0.000 1.036 388 T CA 2.049 64.143 62.100 -0.009 0.000 1.147 388 T CB -0.443 68.419 68.868 -0.009 0.000 0.862 388 T HN 0.815 nan 8.240 nan 0.000 0.446 389 S N 1.155 116.859 115.700 0.007 0.000 2.419 389 S HA -0.181 4.291 4.470 0.004 0.000 0.235 389 S C 1.997 176.612 174.600 0.025 0.000 1.019 389 S CA 1.003 59.212 58.200 0.015 0.000 0.982 389 S CB -0.460 62.747 63.200 0.012 0.000 0.789 389 S HN 0.526 nan 8.310 nan 0.000 0.490 390 Q N 0.201 120.015 119.800 0.024 0.000 2.020 390 Q HA -0.010 4.333 4.340 0.004 0.000 0.202 390 Q C 2.191 178.228 176.000 0.062 0.000 0.982 390 Q CA 1.500 57.325 55.803 0.037 0.000 0.838 390 Q CB -0.252 28.504 28.738 0.030 0.000 0.899 390 Q HN 0.531 nan 8.270 nan 0.000 0.423 391 L N 0.956 122.209 121.223 0.050 0.000 2.141 391 L HA -0.154 4.188 4.340 0.004 0.000 0.209 391 L C 1.336 178.282 176.870 0.127 0.000 1.094 391 L CA 1.710 56.597 54.840 0.080 0.000 0.763 391 L CB -0.246 41.796 42.059 -0.028 0.000 0.908 391 L HN 0.149 nan 8.230 nan 0.000 0.437 392 D N -0.732 119.711 120.400 0.071 0.000 2.178 392 D HA -0.200 4.443 4.640 0.004 0.000 0.201 392 D C 1.768 178.112 176.300 0.073 0.000 0.980 392 D CA 1.369 55.410 54.000 0.068 0.000 0.842 392 D CB -0.025 40.796 40.800 0.036 0.000 0.948 392 D HN 0.464 nan 8.370 nan 0.000 0.472 393 D N -0.601 119.838 120.400 0.064 0.000 2.162 393 D HA -0.080 4.562 4.640 0.004 0.000 0.203 393 D C 1.934 178.261 176.300 0.043 0.000 0.967 393 D CA 0.545 54.571 54.000 0.043 0.000 0.840 393 D CB 0.308 41.127 40.800 0.032 0.000 0.972 393 D HN -0.050 nan 8.370 nan 0.000 0.482 394 V N -0.205 119.763 119.914 0.090 0.000 2.283 394 V HA -0.188 3.935 4.120 0.004 0.000 0.243 394 V C 1.728 177.789 176.094 -0.056 0.000 1.039 394 V CA 1.444 63.769 62.300 0.041 0.000 1.016 394 V CB -0.707 31.206 31.823 0.149 0.000 0.650 394 V HN 0.254 nan 8.190 nan 0.000 0.449 395 Y N 0.498 120.796 120.300 -0.004 0.000 2.503 395 Y HA 0.510 5.061 4.550 0.002 0.000 0.278 395 Y C 1.345 177.238 175.900 -0.011 0.000 1.111 395 Y CA 0.327 58.424 58.100 -0.005 0.000 1.270 395 Y CB -0.153 38.311 38.460 0.006 0.000 1.063 395 Y HN 0.384 nan 8.280 nan 0.000 0.548 396 G N -0.660 108.218 108.800 0.130 0.000 2.650 396 G HA2 -0.153 3.809 3.960 0.004 0.000 0.686 396 G HA3 -0.153 3.809 3.960 0.004 0.000 0.686 396 G C 0.372 175.317 174.900 0.075 0.000 1.205 396 G CA -0.516 44.624 45.100 0.067 0.000 0.781 396 G HN -0.052 nan 8.290 nan 0.000 0.648 397 V N 1.393 121.332 119.914 0.043 0.000 2.324 397 V HA -0.220 3.903 4.120 0.004 0.000 0.250 397 V C 2.973 179.087 176.094 0.032 0.000 1.060 397 V CA 2.990 65.310 62.300 0.033 0.000 1.042 397 V CB -0.665 31.169 31.823 0.019 0.000 0.650 397 V HN 0.785 nan 8.190 nan 0.000 0.450 398 K N 0.029 120.448 120.400 0.032 0.000 2.001 398 K HA -0.138 4.184 4.320 0.004 0.000 0.208 398 K C 2.175 178.799 176.600 0.040 0.000 1.048 398 K CA 1.614 57.917 56.287 0.028 0.000 0.932 398 K CB -0.226 32.286 32.500 0.021 0.000 0.715 398 K HN 0.577 nan 8.250 nan 0.000 0.437 399 E N -0.095 120.145 120.200 0.067 0.000 2.150 399 E HA -0.143 4.209 4.350 0.004 0.000 0.193 399 E C 1.947 178.587 176.600 0.066 0.000 0.985 399 E CA 0.849 57.305 56.400 0.094 0.000 0.814 399 E CB -0.074 29.727 29.700 0.167 0.000 0.752 399 E HN 0.337 nan 8.360 nan 0.000 0.466 400 A N 1.600 124.460 122.820 0.067 0.000 1.902 400 A HA -0.275 4.047 4.320 0.004 0.000 0.217 400 A C 2.179 179.745 177.584 -0.030 0.000 1.181 400 A CA 1.626 53.652 52.037 -0.018 0.000 0.623 400 A CB -0.508 18.508 19.000 0.027 0.000 0.818 400 A HN 0.233 nan 8.150 nan 0.000 0.443 401 Q N -0.691 119.110 119.800 0.002 0.000 2.050 401 Q HA -0.174 4.169 4.340 0.004 0.000 0.202 401 Q C 2.029 178.035 176.000 0.010 0.000 0.980 401 Q CA 2.243 58.049 55.803 0.005 0.000 0.840 401 Q CB -0.350 28.395 28.738 0.010 0.000 0.898 401 Q HN 0.580 nan 8.270 nan 0.000 0.424 402 T N 1.630 116.191 114.554 0.011 0.000 2.746 402 T HA -0.165 4.188 4.350 0.004 0.000 0.267 402 T C 1.730 176.438 174.700 0.012 0.000 1.039 402 T CA 1.218 63.326 62.100 0.013 0.000 1.142 402 T CB -0.296 68.582 68.868 0.016 0.000 0.866 402 T HN 0.198 nan 8.240 nan 0.000 0.444 403 L N 1.143 122.359 121.223 -0.012 0.000 2.017 403 L HA 0.005 4.347 4.340 0.004 0.000 0.208 403 L C 2.523 179.468 176.870 0.126 0.000 1.073 403 L CA 1.725 56.557 54.840 -0.014 0.000 0.745 403 L CB -0.493 41.453 42.059 -0.189 0.000 0.894 403 L HN 0.073 nan 8.230 nan 0.000 0.432 404 R N -0.902 119.648 120.500 0.083 0.000 2.096 404 R HA -0.091 4.251 4.340 0.004 0.000 0.235 404 R C 2.101 178.521 176.300 0.201 0.000 1.127 404 R CA 1.166 57.350 56.100 0.141 0.000 0.968 404 R CB -0.563 29.746 30.300 0.014 0.000 0.861 404 R HN 0.493 nan 8.270 nan 0.000 0.440 405 A N 0.206 123.091 122.820 0.108 0.000 2.178 405 A HA -0.085 4.237 4.320 0.004 0.000 0.218 405 A C 1.817 179.454 177.584 0.088 0.000 1.157 405 A CA 1.300 53.388 52.037 0.084 0.000 0.689 405 A CB -0.115 18.911 19.000 0.044 0.000 0.787 405 A HN 0.186 nan 8.150 nan 0.000 0.465 406 S N -1.155 114.599 115.700 0.090 0.000 2.558 406 S HA 0.245 4.717 4.470 0.004 0.000 0.217 406 S C -0.242 174.304 174.600 -0.090 0.000 0.975 406 S CA -0.105 58.079 58.200 -0.027 0.000 0.912 406 S CB -0.195 62.919 63.200 -0.144 0.000 0.776 406 S HN 0.457 nan 8.310 nan 0.000 0.526 407 F N 2.208 122.196 119.950 0.062 0.000 2.334 407 F HA 0.422 4.952 4.527 0.006 0.000 0.367 407 F C 1.297 177.138 175.800 0.069 0.000 1.115 407 F CA -0.891 57.167 58.000 0.096 0.000 1.116 407 F CB 0.863 39.896 39.000 0.055 0.000 1.230 407 F HN -0.189 nan 8.300 nan 0.000 0.484 408 R N 0.550 121.156 120.500 0.178 0.000 2.193 408 R HA 0.107 4.450 4.340 0.004 0.000 0.213 408 R C 0.153 176.537 176.300 0.140 0.000 1.055 408 R CA 0.252 56.424 56.100 0.119 0.000 0.995 408 R CB -0.133 30.199 30.300 0.053 0.000 0.893 408 R HN 0.355 nan 8.270 nan 0.000 0.459 409 S N 0.993 116.804 115.700 0.184 0.000 2.475 409 S HA 0.496 4.969 4.470 0.004 0.000 0.298 409 S C -0.799 173.882 174.600 0.134 0.000 1.119 409 S CA -0.653 57.656 58.200 0.181 0.000 1.085 409 S CB 1.799 65.168 63.200 0.281 0.000 1.028 409 S HN 0.039 nan 8.310 nan 0.000 0.489 410 L N 3.823 125.076 121.223 0.050 0.000 2.381 410 L HA 0.785 5.127 4.340 0.004 0.000 0.268 410 L C -1.487 175.364 176.870 -0.032 0.000 0.997 410 L CA -0.474 54.376 54.840 0.016 0.000 0.818 410 L CB 1.896 43.962 42.059 0.011 0.000 1.310 410 L HN 0.442 nan 8.230 nan 0.000 0.416 411 V N 5.151 125.056 119.914 -0.016 0.000 2.443 411 V HA 0.486 4.608 4.120 0.004 0.000 0.293 411 V C -0.735 175.371 176.094 0.020 0.000 1.021 411 V CA -0.667 61.625 62.300 -0.013 0.000 0.848 411 V CB 1.959 33.776 31.823 -0.010 0.000 0.998 411 V HN 0.516 nan 8.190 nan 0.000 0.424 412 V N 6.632 126.587 119.914 0.069 0.000 2.350 412 V HA 0.315 4.438 4.120 0.004 0.000 0.276 412 V C 0.441 176.604 176.094 0.116 0.000 1.028 412 V CA -0.203 62.154 62.300 0.095 0.000 0.860 412 V CB 1.443 33.341 31.823 0.125 0.000 0.990 412 V HN 0.691 nan 8.190 nan 0.000 0.453 413 L N 3.957 125.219 121.223 0.066 0.000 2.607 413 L HA 0.533 4.876 4.340 0.004 0.000 0.228 413 L C 1.152 178.052 176.870 0.051 0.000 1.123 413 L CA 0.898 55.765 54.840 0.046 0.000 0.890 413 L CB -0.444 41.632 42.059 0.027 0.000 1.103 413 L HN 1.024 nan 8.230 nan 0.000 0.468 414 G N -0.967 107.876 108.800 0.073 0.000 3.153 414 G HA2 0.116 4.078 3.960 0.004 0.000 0.686 414 G HA3 0.116 4.078 3.960 0.004 0.000 0.686 414 G C 0.134 175.056 174.900 0.036 0.000 0.995 414 G CA -0.390 44.748 45.100 0.063 0.000 0.783 414 G HN 0.540 nan 8.290 nan 0.000 0.551 415 G N -0.057 108.761 108.800 0.030 0.000 2.990 415 G HA2 0.860 4.823 3.960 0.004 0.000 0.208 415 G HA3 0.860 4.823 3.960 0.004 0.000 0.208 415 G C 0.362 175.271 174.900 0.016 0.000 1.334 415 G CA 0.606 45.717 45.100 0.019 0.000 1.024 415 G HN 1.719 nan 8.290 nan 0.000 0.574 416 S N -1.336 114.371 115.700 0.012 0.000 2.586 416 S HA 0.223 4.695 4.470 0.004 0.000 0.274 416 S C 1.700 176.306 174.600 0.009 0.000 1.281 416 S CA -0.359 57.847 58.200 0.010 0.000 1.035 416 S CB 0.884 64.089 63.200 0.009 0.000 0.962 416 S HN 0.610 nan 8.310 nan 0.000 0.512 417 R N 1.470 121.975 120.500 0.007 0.000 2.280 417 R HA 0.002 4.345 4.340 0.004 0.000 0.207 417 R C 1.446 177.749 176.300 0.005 0.000 1.043 417 R CA 1.397 57.501 56.100 0.006 0.000 1.006 417 R CB -1.085 29.218 30.300 0.005 0.000 0.885 417 R HN 0.647 nan 8.270 nan 0.000 0.467 418 T N -2.559 111.998 114.554 0.005 0.000 3.169 418 T HA -0.010 4.342 4.350 0.004 0.000 0.250 418 T C 0.169 174.872 174.700 0.004 0.000 1.111 418 T CA 0.055 62.157 62.100 0.005 0.000 1.010 418 T CB 0.158 69.029 68.868 0.005 0.000 0.984 418 T HN 0.089 nan 8.240 nan 0.000 0.537 419 D N 1.914 122.316 120.400 0.004 0.000 2.502 419 D HA 0.290 4.932 4.640 0.004 0.000 0.301 419 D C -1.540 174.761 176.300 0.002 0.000 1.202 419 D CA -2.425 51.577 54.000 0.004 0.000 0.878 419 D CB 1.467 42.270 40.800 0.004 0.000 1.062 419 D HN 0.058 nan 8.370 nan 0.000 0.499 420 P HA -0.165 nan 4.420 nan 0.000 0.218 420 P C 1.161 178.460 177.300 -0.003 0.000 1.149 420 P CA 0.804 63.904 63.100 -0.001 0.000 0.817 420 P CB 0.680 32.380 31.700 -0.001 0.000 0.785 421 K N -0.438 119.961 120.400 -0.002 0.000 2.026 421 K HA -0.063 4.260 4.320 0.004 0.000 0.208 421 K C 2.247 178.843 176.600 -0.006 0.000 1.048 421 K CA 1.862 58.147 56.287 -0.004 0.000 0.929 421 K CB -0.760 31.739 32.500 -0.002 0.000 0.713 421 K HN 0.129 nan 8.250 nan 0.000 0.439 422 T N 1.481 116.032 114.554 -0.005 0.000 2.821 422 T HA -0.056 4.296 4.350 0.004 0.000 0.267 422 T C 1.521 176.215 174.700 -0.010 0.000 1.046 422 T CA 0.992 63.087 62.100 -0.008 0.000 1.139 422 T CB -0.190 68.675 68.868 -0.005 0.000 0.871 422 T HN 0.196 nan 8.240 nan 0.000 0.454 423 N N 1.163 119.858 118.700 -0.008 0.000 2.166 423 N HA -0.107 4.636 4.740 0.004 0.000 0.186 423 N C 1.956 177.454 175.510 -0.020 0.000 1.019 423 N CA 1.063 54.107 53.050 -0.010 0.000 0.856 423 N CB -0.262 38.223 38.487 -0.004 0.000 0.993 423 N HN 0.441 nan 8.380 nan 0.000 0.426 424 E N 1.402 121.592 120.200 -0.017 0.000 2.106 424 E HA -0.117 4.236 4.350 0.004 0.000 0.192 424 E C 0.994 177.579 176.600 -0.024 0.000 0.984 424 E CA 1.218 57.606 56.400 -0.020 0.000 0.806 424 E CB -0.099 29.593 29.700 -0.014 0.000 0.750 424 E HN 0.167 nan 8.360 nan 0.000 0.458 425 D N -0.454 119.933 120.400 -0.021 0.000 2.144 425 D HA -0.135 4.508 4.640 0.004 0.000 0.200 425 D C 1.714 177.997 176.300 -0.029 0.000 0.978 425 D CA 0.998 54.985 54.000 -0.021 0.000 0.833 425 D CB -0.101 40.689 40.800 -0.017 0.000 0.961 425 D HN 0.268 nan 8.370 nan 0.000 0.470 426 M N 0.190 119.770 119.600 -0.033 0.000 2.156 426 M HA -0.037 4.446 4.480 0.004 0.000 0.264 426 M C 2.325 178.582 176.300 -0.071 0.000 1.067 426 M CA 0.688 55.962 55.300 -0.044 0.000 1.131 426 M CB -1.155 31.424 32.600 -0.035 0.000 1.368 426 M HN -0.096 nan 8.290 nan 0.000 0.416 427 S N 0.737 116.393 115.700 -0.073 0.000 2.359 427 S HA -0.089 4.383 4.470 0.004 0.000 0.224 427 S C 2.047 176.599 174.600 -0.079 0.000 1.035 427 S CA 1.048 59.192 58.200 -0.094 0.000 1.018 427 S CB -0.206 62.953 63.200 -0.069 0.000 0.876 427 S HN 0.422 nan 8.310 nan 0.000 0.448 428 L N 0.875 122.066 121.223 -0.053 0.000 2.012 428 L HA -0.113 4.229 4.340 0.004 0.000 0.210 428 L C 2.656 179.502 176.870 -0.041 0.000 1.073 428 L CA 1.601 56.416 54.840 -0.042 0.000 0.748 428 L CB -0.533 41.509 42.059 -0.028 0.000 0.891 428 L HN 0.347 nan 8.230 nan 0.000 0.431 429 S N -0.346 115.330 115.700 -0.040 0.000 2.399 429 S HA -0.132 4.340 4.470 0.004 0.000 0.231 429 S C 1.748 176.324 174.600 -0.041 0.000 1.022 429 S CA 0.810 58.992 58.200 -0.031 0.000 0.983 429 S CB -0.159 63.026 63.200 -0.026 0.000 0.803 429 S HN 0.182 nan 8.310 nan 0.000 0.480 430 L N 0.895 122.074 121.223 -0.073 0.000 2.201 430 L HA 0.182 4.525 4.340 0.004 0.000 0.212 430 L C 1.451 178.278 176.870 -0.071 0.000 1.105 430 L CA 1.379 56.162 54.840 -0.096 0.000 0.775 430 L CB -1.884 40.059 42.059 -0.194 0.000 0.913 430 L HN 0.481 nan 8.230 nan 0.000 0.440 431 G N -0.576 108.185 108.800 -0.066 0.000 2.661 431 G HA2 -0.142 3.821 3.960 0.004 0.000 0.685 431 G HA3 -0.142 3.821 3.960 0.004 0.000 0.685 431 G C -0.415 174.437 174.900 -0.081 0.000 1.298 431 G CA -0.641 44.428 45.100 -0.052 0.000 0.855 431 G HN 0.164 nan 8.290 nan 0.000 0.560 432 E N -0.436 119.725 120.200 -0.065 0.000 2.299 432 E HA 0.687 5.039 4.350 0.004 0.000 0.260 432 E C -0.007 176.569 176.600 -0.041 0.000 0.944 432 E CA -0.669 55.675 56.400 -0.092 0.000 0.815 432 E CB 1.855 31.524 29.700 -0.052 0.000 1.252 432 E HN 0.844 nan 8.360 nan 0.000 0.418 433 H N -1.562 117.416 119.070 -0.153 0.000 2.961 433 H HA 0.500 5.059 4.556 0.005 0.000 0.371 433 H C -1.155 173.978 175.328 -0.324 0.000 1.190 433 H CA -0.967 54.934 56.048 -0.244 0.000 1.138 433 H CB 2.032 31.654 29.762 -0.233 0.000 1.816 433 H HN 0.305 nan 8.280 nan 0.000 0.551 434 E N 1.957 121.946 120.200 -0.352 0.000 2.166 434 E HA 0.478 4.830 4.350 0.004 0.000 0.275 434 E C -1.445 174.767 176.600 -0.647 0.000 0.941 434 E CA -0.965 55.207 56.400 -0.380 0.000 0.784 434 E CB 2.484 32.013 29.700 -0.284 0.000 1.115 434 E HN 0.355 nan 8.360 nan 0.000 0.399 435 V N 3.363 122.943 119.914 -0.557 0.000 3.049 435 V HA 0.240 4.363 4.120 0.004 0.000 0.309 435 V C -0.996 174.936 176.094 -0.271 0.000 1.148 435 V CA -0.773 61.169 62.300 -0.597 0.000 0.990 435 V CB 2.417 33.591 31.823 -1.081 0.000 1.039 435 V HN 0.668 nan 8.190 nan 0.000 0.430 436 E N 3.212 123.331 120.200 -0.135 0.000 2.156 436 E HA 0.566 4.919 4.350 0.004 0.000 0.279 436 E C -0.701 175.945 176.600 0.076 0.000 0.965 436 E CA -0.554 55.834 56.400 -0.020 0.000 0.789 436 E CB 2.272 31.977 29.700 0.008 0.000 1.098 436 E HN 0.418 nan 8.360 nan 0.000 0.397 437 R N 2.403 122.950 120.500 0.079 0.000 2.673 437 R HA 0.191 4.533 4.340 0.004 0.000 0.281 437 R C -1.334 175.041 176.300 0.124 0.000 0.991 437 R CA -0.716 55.468 56.100 0.140 0.000 0.896 437 R CB 1.301 31.693 30.300 0.154 0.000 1.201 437 R HN 0.363 nan 8.270 nan 0.000 0.457 438 D N 2.818 123.319 120.400 0.169 0.000 2.317 438 D HA 0.101 4.744 4.640 0.004 0.000 0.252 438 D C -0.355 176.090 176.300 0.240 0.000 1.174 438 D CA 0.174 54.282 54.000 0.180 0.000 0.866 438 D CB 1.081 42.050 40.800 0.282 0.000 1.127 438 D HN 0.254 nan 8.370 nan 0.000 0.467 439 R N 3.675 124.261 120.500 0.142 0.000 2.522 439 R HA 0.122 4.464 4.340 0.004 0.000 0.290 439 R C -0.559 175.831 176.300 0.149 0.000 1.216 439 R CA -0.630 55.560 56.100 0.150 0.000 1.250 439 R CB -0.183 30.166 30.300 0.081 0.000 1.143 439 R HN 0.307 nan 8.270 nan 0.000 0.553 440 Y N 0.725 121.041 120.300 0.026 0.000 2.597 440 Y HA 0.005 4.558 4.550 0.004 0.000 0.336 440 Y C 1.021 176.932 175.900 0.018 0.000 1.216 440 Y CA 0.984 59.096 58.100 0.021 0.000 1.463 440 Y CB 1.028 39.500 38.460 0.021 0.000 1.303 440 Y HN 0.413 nan 8.280 nan 0.000 0.576 453 A N 4.486 127.242 122.820 -0.107 0.000 2.303 453 A HA 0.665 4.987 4.320 0.004 0.000 0.317 453 A C -0.244 177.326 177.584 -0.025 0.000 1.149 453 A CA -0.885 51.119 52.037 -0.054 0.000 0.822 453 A CB 0.956 19.939 19.000 -0.028 0.000 1.131 453 A HN 0.660 nan 8.150 nan 0.000 0.493 454 L N 1.750 122.963 121.223 -0.017 0.000 2.305 454 L HA 0.398 4.741 4.340 0.004 0.000 0.281 454 L C 0.227 177.100 176.870 0.005 0.000 1.085 454 L CA -0.119 54.722 54.840 0.002 0.000 0.813 454 L CB 1.026 43.084 42.059 -0.002 0.000 1.157 454 L HN 0.907 nan 8.230 nan 0.000 0.436 455 E N 2.864 123.073 120.200 0.015 0.000 2.256 455 E HA 0.573 4.926 4.350 0.004 0.000 0.268 455 E C -1.234 175.362 176.600 -0.007 0.000 0.877 455 E CA -1.200 55.204 56.400 0.007 0.000 0.757 455 E CB 1.770 31.482 29.700 0.020 0.000 1.183 455 E HN 0.306 nan 8.360 nan 0.000 0.418 456 R N 1.303 121.789 120.500 -0.025 0.000 2.297 456 R HA 0.533 4.875 4.340 0.004 0.000 0.308 456 R C -0.811 175.458 176.300 -0.052 0.000 1.029 456 R CA -0.487 55.581 56.100 -0.053 0.000 0.929 456 R CB 1.559 31.823 30.300 -0.060 0.000 1.046 456 R HN 0.428 nan 8.270 nan 0.000 0.461 457 V N 2.728 122.594 119.914 -0.079 0.000 2.841 457 V HA 0.515 4.638 4.120 0.004 0.000 0.310 457 V C -0.374 175.670 176.094 -0.083 0.000 1.090 457 V CA -0.991 61.275 62.300 -0.056 0.000 0.930 457 V CB 2.231 34.043 31.823 -0.018 0.000 1.014 457 V HN 0.622 nan 8.190 nan 0.000 0.425 458 R N 3.447 123.922 120.500 -0.041 0.000 2.393 458 R HA 0.689 5.032 4.340 0.004 0.000 0.310 458 R C -0.818 175.495 176.300 0.020 0.000 0.968 458 R CA -0.251 55.832 56.100 -0.027 0.000 0.867 458 R CB 1.588 31.866 30.300 -0.037 0.000 1.124 458 R HN 1.047 nan 8.270 nan 0.000 0.450 459 E N 3.377 123.614 120.200 0.062 0.000 2.423 459 E HA 0.369 4.722 4.350 0.004 0.000 0.280 459 E C -1.105 175.455 176.600 -0.067 0.000 1.030 459 E CA -1.206 55.218 56.400 0.039 0.000 0.812 459 E CB 1.017 30.789 29.700 0.120 0.000 1.313 459 E HN 0.251 nan 8.360 nan 0.000 0.456 460 R N 0.950 121.426 120.500 -0.040 0.000 2.442 460 R HA 0.144 4.487 4.340 0.004 0.000 0.291 460 R C 0.934 177.180 176.300 -0.090 0.000 1.069 460 R CA -0.125 55.926 56.100 -0.082 0.000 1.022 460 R CB 0.971 31.248 30.300 -0.038 0.000 0.976 460 R HN 0.515 nan 8.270 nan 0.000 0.443 461 V N 2.689 122.480 119.914 -0.206 0.000 2.427 461 V HA -0.107 4.016 4.120 0.004 0.000 0.248 461 V C 0.929 177.093 176.094 0.117 0.000 1.051 461 V CA 1.371 63.605 62.300 -0.108 0.000 1.048 461 V CB 0.083 31.808 31.823 -0.164 0.000 0.666 461 V HN 0.381 nan 8.190 nan 0.000 0.456 462 V N 1.042 120.913 119.914 -0.072 0.000 2.447 462 V HA 0.357 4.479 4.120 0.004 0.000 0.292 462 V C -0.143 175.883 176.094 -0.114 0.000 1.021 462 V CA -0.472 61.732 62.300 -0.160 0.000 0.850 462 V CB 1.593 33.105 31.823 -0.518 0.000 1.005 462 V HN 0.270 nan 8.190 nan 0.000 0.426 463 M N 5.675 125.242 119.600 -0.056 0.000 2.207 463 M HA 0.220 4.702 4.480 0.004 0.000 0.311 463 M C -1.371 174.904 176.300 -0.042 0.000 1.127 463 M CA -1.067 54.210 55.300 -0.038 0.000 1.181 463 M CB 0.588 33.176 32.600 -0.020 0.000 1.409 463 M HN 0.282 nan 8.290 nan 0.000 0.461 464 P HA -0.113 nan 4.420 nan 0.000 0.217 464 P C 0.827 178.123 177.300 -0.007 0.000 1.150 464 P CA 1.584 64.671 63.100 -0.022 0.000 0.832 464 P CB -0.024 31.666 31.700 -0.016 0.000 0.787 465 A N 0.063 122.880 122.820 -0.004 0.000 1.972 465 A HA -0.223 4.099 4.320 0.004 0.000 0.219 465 A C 2.049 179.641 177.584 0.014 0.000 1.169 465 A CA 1.556 53.595 52.037 0.003 0.000 0.635 465 A CB -1.141 17.858 19.000 -0.001 0.000 0.810 465 A HN 0.211 nan 8.150 nan 0.000 0.446 466 E N -0.310 119.901 120.200 0.018 0.000 2.204 466 E HA -0.104 4.249 4.350 0.004 0.000 0.194 466 E C 1.723 178.384 176.600 0.101 0.000 0.989 466 E CA 1.058 57.490 56.400 0.054 0.000 0.824 466 E CB -0.246 29.493 29.700 0.066 0.000 0.756 466 E HN 0.736 nan 8.360 nan 0.000 0.477 467 I N 0.951 121.566 120.570 0.075 0.000 2.406 467 I HA -0.149 4.023 4.170 0.004 0.000 0.249 467 I C 2.497 178.653 176.117 0.065 0.000 1.122 467 I CA 0.680 62.039 61.300 0.099 0.000 1.431 467 I CB -0.202 37.824 38.000 0.043 0.000 1.087 467 I HN 0.046 nan 8.210 nan 0.000 0.424 468 A N 0.561 123.403 122.820 0.037 0.000 1.969 468 A HA -0.097 4.225 4.320 0.004 0.000 0.218 468 A C 1.769 179.368 177.584 0.024 0.000 1.169 468 A CA 1.322 53.373 52.037 0.025 0.000 0.635 468 A CB -0.398 18.611 19.000 0.014 0.000 0.810 468 A HN 0.395 nan 8.150 nan 0.000 0.445 469 N N 0.073 118.789 118.700 0.028 0.000 2.276 469 N HA 0.203 4.945 4.740 0.004 0.000 0.212 469 N C -0.464 175.060 175.510 0.022 0.000 1.127 469 N CA -0.004 53.058 53.050 0.020 0.000 0.834 469 N CB 0.236 38.732 38.487 0.014 0.000 1.014 469 N HN 0.391 nan 8.380 nan 0.000 0.491 470 L N 3.003 124.247 121.223 0.034 0.000 2.410 470 L HA 0.197 4.539 4.340 0.004 0.000 0.273 470 L C -1.698 175.173 176.870 0.001 0.000 1.152 470 L CA -1.095 53.758 54.840 0.021 0.000 0.855 470 L CB 0.595 42.678 42.059 0.039 0.000 1.129 470 L HN -0.117 nan 8.230 nan 0.000 0.463 471 P HA 0.141 nan 4.420 nan 0.000 0.277 471 P C -1.031 176.258 177.300 -0.018 0.000 1.240 471 P CA -0.675 62.416 63.100 -0.015 0.000 0.798 471 P CB 0.818 32.505 31.700 -0.021 0.000 0.979 472 D N 1.412 121.805 120.400 -0.011 0.000 2.406 472 D HA 0.018 4.660 4.640 0.004 0.000 0.234 472 D C 1.153 177.443 176.300 -0.016 0.000 1.196 472 D CA 0.301 54.296 54.000 -0.009 0.000 0.881 472 D CB -0.085 40.713 40.800 -0.004 0.000 1.205 472 D HN 0.389 nan 8.370 nan 0.000 0.453 473 L N -1.104 120.112 121.223 -0.012 0.000 4.040 473 L HA -0.247 4.096 4.340 0.004 0.000 0.410 473 L C -0.309 176.541 176.870 -0.033 0.000 1.187 473 L CA 0.584 55.416 54.840 -0.014 0.000 0.956 473 L CB -2.300 39.752 42.059 -0.012 0.000 2.022 473 L HN 0.380 nan 8.230 nan 0.000 0.897 474 T N -0.599 113.925 114.554 -0.049 0.000 2.876 474 T HA 0.850 5.202 4.350 0.004 0.000 0.289 474 T C -0.054 174.577 174.700 -0.116 0.000 1.014 474 T CA 0.050 62.093 62.100 -0.095 0.000 0.986 474 T CB 2.461 71.260 68.868 -0.114 0.000 1.021 474 T HN 0.400 nan 8.240 nan 0.000 0.458 475 A N 1.944 124.661 122.820 -0.171 0.000 2.594 475 A HA 0.733 5.055 4.320 0.004 0.000 0.295 475 A C -2.073 175.367 177.584 -0.240 0.000 1.071 475 A CA -0.857 51.092 52.037 -0.147 0.000 0.685 475 A CB 1.060 20.030 19.000 -0.050 0.000 1.285 475 A HN 0.743 nan 8.150 nan 0.000 0.405 476 Y N 0.493 120.772 120.300 -0.034 0.000 2.320 476 Y HA 0.482 5.034 4.550 0.003 0.000 0.334 476 Y C 0.205 176.048 175.900 -0.095 0.000 1.055 476 Y CA -0.201 57.871 58.100 -0.046 0.000 1.143 476 Y CB 1.822 40.263 38.460 -0.032 0.000 1.193 476 Y HN 0.360 nan 8.280 nan 0.000 0.477 477 V N 3.171 123.081 119.914 -0.007 0.000 2.334 477 V HA 0.566 4.688 4.120 0.004 0.000 0.281 477 V C 0.244 176.169 176.094 -0.281 0.000 1.016 477 V CA -0.748 61.416 62.300 -0.227 0.000 0.832 477 V CB 1.327 32.941 31.823 -0.349 0.000 0.999 477 V HN 0.942 nan 8.190 nan 0.000 0.439 478 G N 4.503 113.141 108.800 -0.269 0.000 2.955 478 G HA2 0.568 4.531 3.960 0.004 0.000 0.336 478 G HA3 0.568 4.531 3.960 0.004 0.000 0.336 478 G C -0.658 174.156 174.900 -0.143 0.000 1.264 478 G CA -0.267 44.739 45.100 -0.157 0.000 1.096 478 G HN 0.345 nan 8.290 nan 0.000 0.486 479 F N 1.705 121.693 119.950 0.065 0.000 2.444 479 F HA 0.499 5.029 4.527 0.005 0.000 0.331 479 F C 1.262 177.089 175.800 0.046 0.000 1.167 479 F CA -0.397 57.637 58.000 0.057 0.000 1.262 479 F CB 0.949 39.979 39.000 0.051 0.000 1.196 479 F HN 0.542 nan 8.300 nan 0.000 0.583 480 A N 1.480 124.463 122.820 0.272 0.000 2.507 480 A HA 0.474 4.797 4.320 0.004 0.000 0.235 480 A C 0.816 178.468 177.584 0.114 0.000 1.070 480 A CA 0.453 52.577 52.037 0.144 0.000 0.768 480 A CB -0.860 18.196 19.000 0.094 0.000 1.011 480 A HN 1.664 nan 8.150 nan 0.000 0.502 481 G N 0.797 109.643 108.800 0.076 0.000 2.632 481 G HA2 -0.167 3.795 3.960 0.004 0.000 0.224 481 G HA3 -0.167 3.795 3.960 0.004 0.000 0.224 481 G C -0.001 174.939 174.900 0.067 0.000 1.341 481 G CA 0.119 45.255 45.100 0.059 0.000 0.880 481 G HN 1.616 nan 8.290 nan 0.000 0.566 482 N N 1.413 120.146 118.700 0.055 0.000 2.895 482 N HA 0.363 5.105 4.740 0.004 0.000 0.277 482 N C 0.224 175.772 175.510 0.063 0.000 1.185 482 N CA 0.300 53.385 53.050 0.057 0.000 1.106 482 N CB -0.558 37.956 38.487 0.045 0.000 1.422 482 N HN 0.623 nan 8.380 nan 0.000 0.521 483 R N 1.609 122.158 120.500 0.082 0.000 2.725 483 R HA 0.502 4.845 4.340 0.004 0.000 0.277 483 R C -2.408 173.945 176.300 0.088 0.000 0.987 483 R CA -1.552 54.606 56.100 0.096 0.000 0.901 483 R CB 1.896 32.292 30.300 0.159 0.000 1.207 483 R HN 0.346 nan 8.270 nan 0.000 0.463 484 P HA 0.229 nan 4.420 nan 0.000 0.276 484 P C -0.364 176.980 177.300 0.074 0.000 1.261 484 P CA -0.410 62.724 63.100 0.056 0.000 0.800 484 P CB 0.759 32.474 31.700 0.025 0.000 1.066 485 I N -2.396 118.217 120.570 0.071 0.000 3.062 485 I HA 0.849 5.021 4.170 0.004 0.000 0.316 485 I C -0.644 175.536 176.117 0.105 0.000 1.041 485 I CA -1.277 60.064 61.300 0.068 0.000 1.069 485 I CB 1.671 39.714 38.000 0.071 0.000 1.300 485 I HN 0.413 nan 8.210 nan 0.000 0.518 486 A N 2.416 125.303 122.820 0.113 0.000 2.566 486 A HA 0.480 4.802 4.320 0.004 0.000 0.297 486 A C -1.132 176.487 177.584 0.059 0.000 1.059 486 A CA -0.824 51.276 52.037 0.106 0.000 0.691 486 A CB 1.452 20.489 19.000 0.062 0.000 1.282 486 A HN 0.782 nan 8.150 nan 0.000 0.401 487 K N 1.676 122.066 120.400 -0.016 0.000 2.312 487 K HA 0.591 4.913 4.320 0.004 0.000 0.287 487 K C -1.143 175.356 176.600 -0.168 0.000 1.062 487 K CA -0.098 56.005 56.287 -0.306 0.000 0.934 487 K CB 0.678 32.975 32.500 -0.338 0.000 1.027 487 K HN 0.486 nan 8.250 nan 0.000 0.478 488 V N 6.394 126.201 119.914 -0.177 0.000 2.876 488 V HA 0.508 4.631 4.120 0.004 0.000 0.312 488 V C -2.416 173.624 176.094 -0.089 0.000 1.085 488 V CA -1.767 60.478 62.300 -0.090 0.000 0.945 488 V CB 2.083 33.880 31.823 -0.043 0.000 1.017 488 V HN 0.859 nan 8.190 nan 0.000 0.428 489 P HA 0.480 nan 4.420 nan 0.000 0.296 489 P C -1.549 175.741 177.300 -0.017 0.000 1.301 489 P CA -0.578 62.497 63.100 -0.042 0.000 0.862 489 P CB 1.911 33.591 31.700 -0.034 0.000 1.046 490 L N 2.337 123.552 121.223 -0.012 0.000 2.275 490 L HA 0.350 4.692 4.340 0.004 0.000 0.288 490 L C 0.989 177.862 176.870 0.005 0.000 1.046 490 L CA -0.124 54.721 54.840 0.008 0.000 0.805 490 L CB 0.470 42.538 42.059 0.015 0.000 1.193 490 L HN 0.442 nan 8.230 nan 0.000 0.426 491 E N 3.855 124.062 120.200 0.011 0.000 2.259 491 E HA 0.238 4.591 4.350 0.004 0.000 0.281 491 E C -0.557 176.035 176.600 -0.012 0.000 1.027 491 E CA -0.507 55.890 56.400 -0.005 0.000 0.838 491 E CB 0.765 30.462 29.700 -0.006 0.000 1.066 491 E HN 0.508 nan 8.360 nan 0.000 0.401 492 I N 6.226 126.776 120.570 -0.033 0.000 2.227 492 I HA 0.050 4.222 4.170 0.004 0.000 0.297 492 I C 0.419 176.462 176.117 -0.124 0.000 1.173 492 I CA -0.330 60.941 61.300 -0.048 0.000 1.356 492 I CB -0.216 37.759 38.000 -0.042 0.000 1.485 492 I HN 0.249 nan 8.210 nan 0.000 0.604 493 K N 3.814 124.106 120.400 -0.180 0.000 2.469 493 K HA 0.025 4.348 4.320 0.004 0.000 0.274 493 K C 0.020 176.261 176.600 -0.597 0.000 0.983 493 K CA -0.125 55.909 56.287 -0.420 0.000 0.974 493 K CB 0.648 32.785 32.500 -0.606 0.000 0.913 493 K HN 0.336 nan 8.250 nan 0.000 0.493 494 Q N 1.934 121.360 119.800 -0.622 0.000 2.278 494 Q HA 0.333 4.675 4.340 0.004 0.000 0.257 494 Q C -1.677 173.905 176.000 -0.697 0.000 0.928 494 Q CA -0.158 55.353 55.803 -0.485 0.000 0.932 494 Q CB 0.531 29.107 28.738 -0.270 0.000 1.221 494 Q HN 0.316 nan 8.270 nan 0.000 0.434 495 F N 2.128 121.983 119.950 -0.159 0.000 2.477 495 F HA 0.667 5.196 4.527 0.003 0.000 0.335 495 F C 0.200 175.874 175.800 -0.209 0.000 1.130 495 F CA -1.076 56.785 58.000 -0.230 0.000 0.948 495 F CB 1.612 40.415 39.000 -0.329 0.000 1.154 495 F HN 0.668 nan 8.300 nan 0.000 0.439 496 A N 3.147 125.969 122.820 0.004 0.000 2.477 496 A HA 0.204 4.526 4.320 0.004 0.000 0.246 496 A C 0.242 177.777 177.584 -0.082 0.000 1.078 496 A CA -0.479 51.532 52.037 -0.044 0.000 0.770 496 A CB -0.134 18.843 19.000 -0.038 0.000 1.011 496 A HN 0.864 nan 8.150 nan 0.000 0.494 497 N N 1.956 120.607 118.700 -0.081 0.000 2.434 497 N HA 0.074 4.817 4.740 0.004 0.000 0.273 497 N C 0.579 176.031 175.510 -0.097 0.000 1.210 497 N CA -0.178 52.812 53.050 -0.102 0.000 0.992 497 N CB 0.413 38.854 38.487 -0.077 0.000 1.355 497 N HN 0.565 nan 8.380 nan 0.000 0.495 498 R N 1.312 121.739 120.500 -0.121 0.000 2.323 498 R HA 0.065 4.407 4.340 0.004 0.000 0.198 498 R C 0.059 176.300 176.300 -0.099 0.000 0.988 498 R CA 0.754 56.797 56.100 -0.096 0.000 1.041 498 R CB 0.178 30.425 30.300 -0.090 0.000 0.926 498 R HN 0.586 nan 8.270 nan 0.000 0.476 499 Q N -0.471 119.261 119.800 -0.114 0.000 2.527 499 Q HA 0.246 4.588 4.340 0.004 0.000 0.280 499 Q C -2.794 173.148 176.000 -0.097 0.000 0.977 499 Q CA -1.996 53.741 55.803 -0.110 0.000 0.837 499 Q CB 3.094 31.744 28.738 -0.147 0.000 1.454 499 Q HN -0.074 nan 8.270 nan 0.000 0.387 500 P HA 0.049 nan 4.420 nan 0.000 0.271 500 P C -0.349 176.926 177.300 -0.041 0.000 1.216 500 P CA 0.265 63.333 63.100 -0.053 0.000 0.771 500 P CB 1.173 32.842 31.700 -0.052 0.000 0.864 501 A N 3.770 126.584 122.820 -0.010 0.000 1.898 501 A HA -0.042 4.280 4.320 0.004 0.000 0.216 501 A C 0.623 178.290 177.584 0.139 0.000 1.181 501 A CA 1.286 53.333 52.037 0.017 0.000 0.620 501 A CB -0.584 18.420 19.000 0.007 0.000 0.819 501 A HN 0.560 nan 8.150 nan 0.000 0.442 502 F N -0.954 118.965 119.950 -0.051 0.000 2.557 502 F HA 0.520 5.050 4.527 0.006 0.000 0.316 502 F C -0.962 174.828 175.800 -0.018 0.000 1.141 502 F CA -1.570 56.415 58.000 -0.026 0.000 0.922 502 F CB 2.093 41.084 39.000 -0.014 0.000 1.194 502 F HN -0.217 nan 8.300 nan 0.000 0.443 503 V N 7.129 126.758 119.914 -0.475 0.000 2.204 503 V HA 0.168 4.291 4.120 0.004 0.000 0.264 503 V C 0.353 175.986 176.094 -0.767 0.000 1.106 503 V CA -0.564 61.460 62.300 -0.460 0.000 0.947 503 V CB -0.118 31.568 31.823 -0.229 0.000 1.164 503 V HN 0.802 nan 8.190 nan 0.000 0.461 504 E N 2.755 122.273 120.200 -1.136 0.000 3.368 504 E HA 0.563 4.916 4.350 0.004 0.000 0.320 504 E C 0.432 176.844 176.600 -0.312 0.000 1.507 504 E CA 0.189 56.053 56.400 -0.893 0.000 1.600 504 E CB 0.678 30.082 29.700 -0.493 0.000 1.117 504 E HN 0.513 nan 8.360 nan 0.000 0.726 505 G N 0.000 108.733 108.800 -0.112 0.000 5.446 505 G HA2 0.000 3.962 3.960 0.004 0.000 0.244 505 G HA3 0.000 3.962 3.960 0.004 0.000 0.244 505 G CA 0.000 45.077 45.100 -0.039 0.000 0.502 505 G HN 0.000 nan 8.290 nan 0.000 0.925