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_K DATA FIRST_RESID 73 DATA SEQUENCE SVGQGEFGGA PFKRFLRGTR IVSGGKLKRM TREKAKQVTV AGVPMPRDAE DATA SEQUENCE PRHLLVNGAT GTGKSVLLRE LAYTGLLRGD RMVIVDPNGD MLSKFGRDKD DATA SEQUENCE IILNPYDQRT KGWSFFNEIR NDYDWQRYAL SVVPRGKTDE AEEWASYGRL DATA SEQUENCE LLRETAKKLA LIGTPSMREL FHWTTIATFD DLRGFLEGTL AESLFAGSNE DATA SEQUENCE ASKALTSARF VLSDKLPEHV TMPDGDFSIR SWLEDPNGGN LFITWREDMG DATA SEQUENCE PALRPLISAW VDVVCTSILS LPEEPKRRLW LFIDELASLE KLASLADALT DATA SEQUENCE KGRKAGLRVV AGLQSTSQLD DVYGVKEAQT LRASFRSLVV LGGSRTDPKT DATA SEQUENCE NEDMSLSLGE HEVERDRYSX XXXXXXXXXR ALERVRERVV MPAEIANLPD DATA SEQUENCE LTAYVGFAGN RPIAKVPLEI KQFANRQPAF VE 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 73 S HA 0.000 nan 4.470 nan 0.000 0.327 73 S C 0.000 174.588 174.600 -0.021 0.000 1.055 73 S CA 0.000 58.235 58.200 0.059 0.000 1.107 73 S CB 0.000 63.238 63.200 0.063 0.000 0.593 74 V N 1.824 121.702 119.914 -0.060 0.000 2.306 74 V HA 0.337 4.451 4.120 -0.009 0.000 0.123 74 V C 2.408 178.280 176.094 -0.370 0.000 0.760 74 V CA 1.444 63.653 62.300 -0.151 0.000 1.372 74 V CB -1.203 30.551 31.823 -0.115 0.000 0.833 74 V HN 2.017 nan 8.190 nan 0.000 0.401 75 G N -0.843 107.532 108.800 -0.708 0.000 2.184 75 G HA2 -0.310 3.644 3.960 -0.009 0.000 0.264 75 G HA3 -0.310 3.644 3.960 -0.009 0.000 0.264 75 G C 0.388 175.032 174.900 -0.427 0.000 0.975 75 G CA 0.703 45.001 45.100 -1.338 0.000 0.642 75 G HN 0.708 nan 8.290 nan 0.000 0.536 76 Q N 0.335 119.997 119.800 -0.230 0.000 2.247 76 Q HA 0.465 4.799 4.340 -0.009 0.000 0.234 76 Q C 1.308 177.289 176.000 -0.032 0.000 0.899 76 Q CA 0.520 56.273 55.803 -0.084 0.000 0.951 76 Q CB 0.428 29.127 28.738 -0.064 0.000 1.057 76 Q HN 0.524 nan 8.270 nan 0.000 0.444 77 G N 0.611 109.403 108.800 -0.013 0.000 4.649 77 G HA2 0.228 4.183 3.960 -0.009 0.000 0.312 77 G HA3 0.228 4.183 3.960 -0.009 0.000 0.312 77 G C -0.131 174.855 174.900 0.144 0.000 1.403 77 G CA -0.508 44.626 45.100 0.056 0.000 1.248 77 G HN 0.162 nan 8.290 nan 0.000 0.581 78 E N -1.195 119.086 120.200 0.135 0.000 4.028 78 E HA -0.239 4.106 4.350 -0.009 0.000 0.343 78 E C 0.194 176.955 176.600 0.269 0.000 0.700 78 E CA 0.590 57.089 56.400 0.164 0.000 1.288 78 E CB -1.737 28.051 29.700 0.147 0.000 1.677 78 E HN 0.551 nan 8.360 nan 0.000 0.424 79 F N 1.646 121.692 119.950 0.159 0.000 2.456 79 F HA 0.520 5.042 4.527 -0.009 0.000 0.358 79 F C 1.636 177.528 175.800 0.153 0.000 1.095 79 F CA 0.202 58.332 58.000 0.217 0.000 1.216 79 F CB 1.091 40.322 39.000 0.385 0.000 1.125 79 F HN -0.074 nan 8.300 nan 0.000 0.549 80 G N 4.232 112.842 108.800 -0.318 0.000 2.484 80 G HA2 0.118 4.072 3.960 -0.009 0.000 0.218 80 G HA3 0.118 4.072 3.960 -0.009 0.000 0.218 80 G C 0.816 175.324 174.900 -0.652 0.000 1.130 80 G CA 0.435 45.314 45.100 -0.368 0.000 0.784 80 G HN 0.985 nan 8.290 nan 0.000 0.543 81 G N -0.171 107.693 108.800 -1.560 0.000 2.509 81 G HA2 0.514 4.468 3.960 -0.009 0.000 0.269 81 G HA3 0.514 4.468 3.960 -0.009 0.000 0.269 81 G C 0.244 174.896 174.900 -0.413 0.000 1.416 81 G CA 0.044 44.562 45.100 -0.970 0.000 1.052 81 G HN 0.523 nan 8.290 nan 0.000 0.542 82 A N 0.228 123.045 122.820 -0.006 0.000 2.477 82 A HA 0.549 4.864 4.320 -0.009 0.000 0.246 82 A C -2.015 175.754 177.584 0.308 0.000 1.078 82 A CA -0.694 51.415 52.037 0.120 0.000 0.770 82 A CB -0.181 18.896 19.000 0.128 0.000 1.011 82 A HN 0.400 nan 8.150 nan 0.000 0.494 83 P HA 0.363 nan 4.420 nan 0.000 0.270 83 P C -0.658 176.729 177.300 0.146 0.000 1.223 83 P CA 0.284 63.431 63.100 0.079 0.000 0.785 83 P CB 0.263 31.936 31.700 -0.046 0.000 0.923 84 F N -0.879 119.153 119.950 0.137 0.000 2.640 84 F HA 0.629 5.151 4.527 -0.008 0.000 0.324 84 F C 1.162 177.002 175.800 0.066 0.000 1.077 84 F CA -1.210 56.837 58.000 0.079 0.000 0.965 84 F CB 1.090 40.102 39.000 0.020 0.000 1.351 84 F HN 0.180 nan 8.300 nan 0.000 0.487 85 K N 0.197 120.776 120.400 0.298 0.000 2.099 85 K HA 0.233 4.547 4.320 -0.009 0.000 0.203 85 K C 0.357 177.111 176.600 0.257 0.000 1.047 85 K CA 0.482 56.886 56.287 0.195 0.000 0.963 85 K CB 0.292 32.882 32.500 0.151 0.000 0.759 85 K HN 0.618 nan 8.250 nan 0.000 0.451 86 R N 0.162 120.852 120.500 0.316 0.000 2.575 86 R HA 0.268 4.602 4.340 -0.009 0.000 0.293 86 R C -1.767 174.626 176.300 0.156 0.000 0.983 86 R CA -0.870 55.376 56.100 0.243 0.000 0.887 86 R CB 1.079 31.445 30.300 0.109 0.000 1.184 86 R HN 0.152 nan 8.270 nan 0.000 0.445 87 F N 6.066 126.029 119.950 0.022 0.000 2.411 87 F HA 0.267 4.788 4.527 -0.010 0.000 0.355 87 F C 0.101 175.796 175.800 -0.176 0.000 1.117 87 F CA -0.493 57.352 58.000 -0.259 0.000 1.139 87 F CB 0.776 39.705 39.000 -0.119 0.000 1.120 87 F HN 0.556 nan 8.300 nan 0.000 0.493 88 L N 5.078 126.012 121.223 -0.482 0.000 2.121 88 L HA 0.232 4.566 4.340 -0.009 0.000 0.200 88 L C 0.555 177.325 176.870 -0.166 0.000 1.077 88 L CA 0.416 55.110 54.840 -0.243 0.000 0.766 88 L CB -0.278 41.617 42.059 -0.273 0.000 0.931 88 L HN 0.631 nan 8.230 nan 0.000 0.452 89 R N -1.529 118.687 120.500 -0.472 0.000 2.741 89 R HA 0.635 4.969 4.340 -0.009 0.000 0.274 89 R C -0.495 175.666 176.300 -0.232 0.000 1.029 89 R CA -0.297 55.725 56.100 -0.129 0.000 0.880 89 R CB 1.066 31.326 30.300 -0.068 0.000 1.264 89 R HN 0.111 nan 8.270 nan 0.000 0.465 90 G N 0.171 109.018 108.800 0.078 0.000 2.416 90 G HA2 -0.118 3.836 3.960 -0.009 0.000 0.203 90 G HA3 -0.118 3.836 3.960 -0.009 0.000 0.203 90 G C -1.035 174.042 174.900 0.294 0.000 1.227 90 G CA -0.358 44.805 45.100 0.105 0.000 1.041 90 G HN 0.702 nan 8.290 nan 0.000 0.546 91 T N 2.092 116.787 114.554 0.235 0.000 2.794 91 T HA 0.555 4.899 4.350 -0.009 0.000 0.296 91 T C 0.714 175.627 174.700 0.354 0.000 0.949 91 T CA 0.080 62.313 62.100 0.222 0.000 1.101 91 T CB 0.572 69.504 68.868 0.107 0.000 0.905 91 T HN 0.595 nan 8.240 nan 0.000 0.516 92 R N 2.476 123.090 120.500 0.190 0.000 2.368 92 R HA 0.626 4.961 4.340 -0.009 0.000 0.302 92 R C -0.345 176.019 176.300 0.107 0.000 1.002 92 R CA -0.646 55.478 56.100 0.040 0.000 0.929 92 R CB 1.409 31.551 30.300 -0.264 0.000 1.073 92 R HN 0.587 nan 8.270 nan 0.000 0.464 93 I N 3.496 124.164 120.570 0.165 0.000 2.474 93 I HA 0.456 4.621 4.170 -0.009 0.000 0.294 93 I C -0.616 175.594 176.117 0.156 0.000 1.005 93 I CA -0.914 60.496 61.300 0.184 0.000 1.113 93 I CB 1.539 39.700 38.000 0.269 0.000 1.289 93 I HN 0.495 nan 8.210 nan 0.000 0.436 94 V N 2.977 122.965 119.914 0.124 0.000 3.164 94 V HA 0.689 4.804 4.120 -0.009 0.000 0.313 94 V C -0.007 176.142 176.094 0.091 0.000 1.188 94 V CA -0.490 61.867 62.300 0.094 0.000 1.058 94 V CB 1.242 33.102 31.823 0.061 0.000 1.110 94 V HN 0.823 nan 8.190 nan 0.000 0.453 95 S N 0.209 115.950 115.700 0.067 0.000 2.585 95 S HA 0.426 4.891 4.470 -0.009 0.000 0.273 95 S C 1.352 175.980 174.600 0.046 0.000 1.339 95 S CA 0.147 58.377 58.200 0.051 0.000 1.028 95 S CB 0.784 64.007 63.200 0.038 0.000 0.906 95 S HN 1.830 nan 8.310 nan 0.000 0.528 96 G N 1.386 110.204 108.800 0.030 0.000 2.442 96 G HA2 -0.051 3.904 3.960 -0.009 0.000 0.219 96 G HA3 -0.051 3.904 3.960 -0.009 0.000 0.219 96 G C 1.320 176.246 174.900 0.043 0.000 1.141 96 G CA 0.630 45.749 45.100 0.031 0.000 0.763 96 G HN 1.001 nan 8.290 nan 0.000 0.554 97 G N 0.358 109.178 108.800 0.034 0.000 2.421 97 G HA2 -0.213 3.742 3.960 -0.009 0.000 0.216 97 G HA3 -0.213 3.742 3.960 -0.009 0.000 0.216 97 G C 1.688 176.611 174.900 0.038 0.000 1.171 97 G CA 1.201 46.321 45.100 0.034 0.000 0.775 97 G HN 0.501 nan 8.290 nan 0.000 0.543 98 K N -0.312 120.111 120.400 0.038 0.000 2.211 98 K HA 0.037 4.351 4.320 -0.009 0.000 0.203 98 K C 2.345 178.974 176.600 0.048 0.000 1.050 98 K CA 0.735 57.044 56.287 0.037 0.000 0.945 98 K CB -0.125 32.395 32.500 0.033 0.000 0.732 98 K HN 0.309 nan 8.250 nan 0.000 0.451 99 L N 1.362 122.624 121.223 0.065 0.000 2.068 99 L HA -0.069 4.266 4.340 -0.009 0.000 0.204 99 L C 1.782 178.710 176.870 0.096 0.000 1.076 99 L CA 1.634 56.529 54.840 0.093 0.000 0.753 99 L CB -0.196 41.936 42.059 0.121 0.000 0.910 99 L HN -0.047 nan 8.230 nan 0.000 0.439 100 K N -0.658 119.795 120.400 0.088 0.000 2.211 100 K HA -0.208 4.107 4.320 -0.009 0.000 0.204 100 K C 2.263 178.894 176.600 0.051 0.000 1.047 100 K CA 1.392 57.727 56.287 0.079 0.000 0.935 100 K CB -0.134 32.407 32.500 0.067 0.000 0.728 100 K HN 0.316 nan 8.250 nan 0.000 0.452 101 R N 0.151 120.677 120.500 0.043 0.000 2.127 101 R HA 0.118 4.452 4.340 -0.009 0.000 0.217 101 R C 2.202 178.515 176.300 0.022 0.000 1.074 101 R CA 0.586 56.703 56.100 0.028 0.000 0.991 101 R CB 0.120 30.434 30.300 0.024 0.000 0.895 101 R HN 0.135 nan 8.270 nan 0.000 0.450 102 M N -0.557 119.061 119.600 0.030 0.000 2.200 102 M HA -0.089 4.385 4.480 -0.009 0.000 0.265 102 M C 1.954 178.260 176.300 0.009 0.000 1.066 102 M CA 1.852 57.165 55.300 0.023 0.000 1.127 102 M CB 0.034 32.656 32.600 0.036 0.000 1.379 102 M HN 0.146 nan 8.290 nan 0.000 0.420 103 T N -2.401 112.159 114.554 0.010 0.000 3.107 103 T HA 0.125 4.469 4.350 -0.009 0.000 0.249 103 T C 0.917 175.585 174.700 -0.053 0.000 1.096 103 T CA -0.280 61.791 62.100 -0.048 0.000 1.012 103 T CB -0.016 68.789 68.868 -0.104 0.000 0.977 103 T HN -0.013 nan 8.240 nan 0.000 0.527 104 R N 2.288 122.778 120.500 -0.017 0.000 2.522 104 R HA 0.349 4.684 4.340 -0.009 0.000 0.284 104 R C -0.085 176.202 176.300 -0.022 0.000 1.032 104 R CA 0.252 56.345 56.100 -0.013 0.000 1.049 104 R CB 0.130 30.432 30.300 0.003 0.000 0.956 104 R HN 0.654 nan 8.270 nan 0.000 0.422 105 E N 1.841 122.027 120.200 -0.024 0.000 2.392 105 E HA 0.145 4.490 4.350 -0.009 0.000 0.269 105 E C 0.157 176.749 176.600 -0.015 0.000 0.924 105 E CA -0.586 55.800 56.400 -0.024 0.000 0.784 105 E CB 1.784 31.461 29.700 -0.038 0.000 1.292 105 E HN 0.477 nan 8.360 nan 0.000 0.447 106 K N 1.550 121.942 120.400 -0.013 0.000 2.002 106 K HA 0.016 4.331 4.320 -0.009 0.000 0.209 106 K C 0.574 177.170 176.600 -0.007 0.000 1.048 106 K CA 1.257 57.538 56.287 -0.008 0.000 0.930 106 K CB -0.254 32.241 32.500 -0.008 0.000 0.714 106 K HN 0.445 nan 8.250 nan 0.000 0.438 107 A N 1.950 124.764 122.820 -0.010 0.000 2.492 107 A HA 0.027 4.341 4.320 -0.009 0.000 0.236 107 A C -0.647 176.935 177.584 -0.003 0.000 1.078 107 A CA 0.075 52.108 52.037 -0.007 0.000 0.773 107 A CB 0.044 19.038 19.000 -0.010 0.000 1.023 107 A HN 0.417 nan 8.150 nan 0.000 0.504 108 K N 1.467 121.868 120.400 0.002 0.000 2.447 108 K HA 0.124 4.439 4.320 -0.009 0.000 0.281 108 K C -0.029 176.579 176.600 0.014 0.000 1.031 108 K CA 0.579 56.869 56.287 0.006 0.000 1.019 108 K CB 0.269 32.773 32.500 0.007 0.000 0.918 108 K HN 0.726 nan 8.250 nan 0.000 0.476 109 Q N 1.096 120.903 119.800 0.012 0.000 2.359 109 Q HA 0.464 4.798 4.340 -0.009 0.000 0.275 109 Q C -0.636 175.381 176.000 0.029 0.000 1.082 109 Q CA -1.054 54.761 55.803 0.021 0.000 0.849 109 Q CB 2.199 30.937 28.738 -0.001 0.000 1.377 109 Q HN 0.273 nan 8.270 nan 0.000 0.452 110 V N 0.535 120.481 119.914 0.054 0.000 2.834 110 V HA 0.538 4.652 4.120 -0.009 0.000 0.313 110 V C 0.040 176.168 176.094 0.056 0.000 1.060 110 V CA -0.641 61.681 62.300 0.035 0.000 0.989 110 V CB 1.705 33.556 31.823 0.046 0.000 1.041 110 V HN 0.980 nan 8.190 nan 0.000 0.459 111 T N -0.290 114.301 114.554 0.060 0.000 2.885 111 T HA 0.757 5.102 4.350 -0.009 0.000 0.285 111 T C -0.918 173.866 174.700 0.139 0.000 1.019 111 T CA -0.713 61.454 62.100 0.113 0.000 1.010 111 T CB 1.717 70.652 68.868 0.112 0.000 1.022 111 T HN 0.335 nan 8.240 nan 0.000 0.466 112 V N 2.542 122.580 119.914 0.206 0.000 2.349 112 V HA 0.641 4.756 4.120 -0.009 0.000 0.284 112 V C 0.741 176.914 176.094 0.132 0.000 1.014 112 V CA -0.109 62.302 62.300 0.184 0.000 0.826 112 V CB 0.297 32.281 31.823 0.267 0.000 1.009 112 V HN 1.602 nan 8.190 nan 0.000 0.431 113 A N 4.251 127.125 122.820 0.091 0.000 2.832 113 A HA -0.017 4.298 4.320 -0.009 0.000 0.280 113 A C 1.834 179.463 177.584 0.075 0.000 1.464 113 A CA 1.468 53.543 52.037 0.063 0.000 0.804 113 A CB -1.557 17.456 19.000 0.021 0.000 1.020 113 A HN 2.538 nan 8.150 nan 0.000 0.563 114 G N -3.783 105.077 108.800 0.101 0.000 2.253 114 G HA2 -0.075 3.879 3.960 -0.009 0.000 0.251 114 G HA3 -0.075 3.879 3.960 -0.009 0.000 0.251 114 G C 0.465 175.434 174.900 0.114 0.000 0.998 114 G CA 0.432 45.591 45.100 0.098 0.000 0.621 114 G HN 1.848 nan 8.290 nan 0.000 0.524 115 V N 4.071 124.077 119.914 0.154 0.000 2.432 115 V HA 0.431 4.545 4.120 -0.009 0.000 0.271 115 V C -1.292 174.940 176.094 0.230 0.000 1.046 115 V CA -1.233 61.194 62.300 0.212 0.000 0.945 115 V CB 1.326 33.341 31.823 0.320 0.000 0.992 115 V HN 0.284 nan 8.190 nan 0.000 0.471 116 P HA 0.073 nan 4.420 nan 0.000 0.271 116 P C -0.410 176.832 177.300 -0.096 0.000 1.226 116 P CA -0.232 62.894 63.100 0.043 0.000 0.765 116 P CB 0.697 32.405 31.700 0.013 0.000 0.835 117 M N 6.207 125.734 119.600 -0.121 0.000 2.162 117 M HA 0.311 4.786 4.480 -0.009 0.000 0.356 117 M C -2.388 173.691 176.300 -0.369 0.000 1.303 117 M CA -2.116 52.921 55.300 -0.437 0.000 1.116 117 M CB 0.593 33.164 32.600 -0.047 0.000 1.632 117 M HN 0.104 nan 8.290 nan 0.000 0.469 118 P HA -0.008 nan 4.420 nan 0.000 0.264 118 P C -0.064 177.138 177.300 -0.162 0.000 1.183 118 P CA -0.053 62.879 63.100 -0.281 0.000 0.763 118 P CB 0.453 31.984 31.700 -0.282 0.000 0.807 119 R N 3.091 123.532 120.500 -0.100 0.000 2.091 119 R HA -0.141 4.193 4.340 -0.009 0.000 0.238 119 R C 1.401 177.655 176.300 -0.077 0.000 1.136 119 R CA 1.860 57.922 56.100 -0.064 0.000 0.959 119 R CB -1.032 29.240 30.300 -0.048 0.000 0.856 119 R HN 0.664 nan 8.270 nan 0.000 0.437 120 D N -0.374 119.977 120.400 -0.081 0.000 2.312 120 D HA -0.074 4.560 4.640 -0.009 0.000 0.211 120 D C 1.321 177.568 176.300 -0.088 0.000 0.964 120 D CA 0.927 54.879 54.000 -0.080 0.000 0.877 120 D CB -0.003 40.759 40.800 -0.063 0.000 0.924 120 D HN 0.149 nan 8.370 nan 0.000 0.515 121 A N 1.038 123.808 122.820 -0.084 0.000 2.081 121 A HA -0.059 4.256 4.320 -0.009 0.000 0.214 121 A C 2.083 179.628 177.584 -0.065 0.000 1.158 121 A CA 0.305 52.312 52.037 -0.049 0.000 0.724 121 A CB -0.247 18.746 19.000 -0.013 0.000 0.826 121 A HN 0.105 nan 8.150 nan 0.000 0.463 122 E N 0.242 120.390 120.200 -0.087 0.000 2.049 122 E HA -0.165 4.180 4.350 -0.009 0.000 0.198 122 E C -0.761 175.634 176.600 -0.342 0.000 1.007 122 E CA 1.590 57.906 56.400 -0.141 0.000 0.809 122 E CB -0.779 28.839 29.700 -0.136 0.000 0.749 122 E HN 0.547 nan 8.360 nan 0.000 0.450 123 P HA -0.031 nan 4.420 nan 0.000 0.249 123 P C 0.206 177.084 177.300 -0.704 0.000 1.241 123 P CA 0.784 63.598 63.100 -0.476 0.000 0.781 123 P CB 0.107 31.626 31.700 -0.301 0.000 1.088 124 R N -0.987 119.177 120.500 -0.560 0.000 2.468 124 R HA 0.133 4.468 4.340 -0.009 0.000 0.280 124 R C -0.107 175.962 176.300 -0.385 0.000 0.963 124 R CA -0.355 55.463 56.100 -0.469 0.000 1.083 124 R CB -0.203 29.996 30.300 -0.169 0.000 1.200 124 R HN 0.280 nan 8.270 nan 0.000 0.541 125 H N -0.823 118.216 119.070 -0.052 0.000 4.462 125 H HA -0.205 4.344 4.556 -0.012 0.000 0.253 125 H C -0.994 174.490 175.328 0.260 0.000 0.554 125 H CA 0.534 56.612 56.048 0.050 0.000 0.688 125 H CB -0.513 29.145 29.762 -0.173 0.000 1.017 125 H HN 0.060 nan 8.280 nan 0.000 0.299 126 L N 1.691 123.227 121.223 0.522 0.000 2.385 126 L HA 0.541 4.875 4.340 -0.009 0.000 0.273 126 L C -1.259 175.744 176.870 0.222 0.000 0.990 126 L CA -0.756 54.300 54.840 0.360 0.000 0.821 126 L CB 1.553 43.777 42.059 0.274 0.000 1.279 126 L HN 0.487 nan 8.230 nan 0.000 0.412 127 L N 6.063 127.295 121.223 0.016 0.000 2.305 127 L HA 0.655 4.989 4.340 -0.009 0.000 0.284 127 L C -1.154 175.627 176.870 -0.148 0.000 1.013 127 L CA -0.292 54.356 54.840 -0.320 0.000 0.819 127 L CB 1.781 43.583 42.059 -0.429 0.000 1.227 127 L HN 0.405 nan 8.230 nan 0.000 0.417 128 V N 4.945 124.776 119.914 -0.139 0.000 2.347 128 V HA 0.473 4.587 4.120 -0.009 0.000 0.280 128 V C -0.223 175.828 176.094 -0.071 0.000 1.021 128 V CA -0.657 61.604 62.300 -0.065 0.000 0.847 128 V CB 1.324 33.136 31.823 -0.019 0.000 0.990 128 V HN 0.837 nan 8.190 nan 0.000 0.444 129 N N 3.218 121.888 118.700 -0.051 0.000 2.362 129 N HA 0.829 5.563 4.740 -0.009 0.000 0.298 129 N C -0.347 175.156 175.510 -0.011 0.000 1.048 129 N CA 0.200 53.225 53.050 -0.040 0.000 0.858 129 N CB 2.064 40.524 38.487 -0.044 0.000 1.218 129 N HN 0.969 nan 8.380 nan 0.000 0.488 130 G N 0.351 109.147 108.800 -0.006 0.000 2.377 130 G HA2 0.536 4.490 3.960 -0.009 0.000 0.297 130 G HA3 0.536 4.490 3.960 -0.009 0.000 0.297 130 G C -1.259 173.646 174.900 0.008 0.000 1.547 130 G CA -0.273 44.832 45.100 0.007 0.000 0.833 130 G HN 0.740 nan 8.290 nan 0.000 0.583 131 A N -0.051 122.776 122.820 0.011 0.000 2.292 131 A HA 0.743 5.057 4.320 -0.009 0.000 0.265 131 A C 0.919 178.510 177.584 0.011 0.000 1.133 131 A CA 0.451 52.495 52.037 0.011 0.000 0.807 131 A CB -0.080 18.927 19.000 0.011 0.000 1.102 131 A HN 1.255 nan 8.150 nan 0.000 0.502 132 T N 0.364 114.925 114.554 0.011 0.000 2.814 132 T HA 0.473 4.817 4.350 -0.009 0.000 0.297 132 T C 1.165 175.870 174.700 0.009 0.000 0.956 132 T CA 0.998 63.105 62.100 0.011 0.000 1.123 132 T CB 0.685 69.559 68.868 0.011 0.000 0.902 132 T HN 2.026 nan 8.240 nan 0.000 0.528 133 G N 2.900 111.705 108.800 0.008 0.000 2.136 133 G HA2 -0.292 3.663 3.960 -0.009 0.000 0.242 133 G HA3 -0.292 3.663 3.960 -0.009 0.000 0.242 133 G C 0.821 175.726 174.900 0.009 0.000 0.989 133 G CA 0.297 45.401 45.100 0.007 0.000 0.682 133 G HN 0.730 nan 8.290 nan 0.000 0.522 134 T N -0.152 114.409 114.554 0.011 0.000 3.100 134 T HA 0.413 4.758 4.350 -0.009 0.000 0.253 134 T C 1.950 176.657 174.700 0.012 0.000 1.118 134 T CA 1.682 63.788 62.100 0.011 0.000 1.058 134 T CB -0.008 68.868 68.868 0.014 0.000 0.953 134 T HN 1.979 nan 8.240 nan 0.000 0.515 135 G N 1.446 110.254 108.800 0.014 0.000 2.148 135 G HA2 -0.175 3.779 3.960 -0.009 0.000 0.157 135 G HA3 -0.175 3.779 3.960 -0.009 0.000 0.157 135 G C 0.812 175.726 174.900 0.023 0.000 1.012 135 G CA 0.080 45.191 45.100 0.018 0.000 0.677 135 G HN 0.396 nan 8.290 nan 0.000 0.506 136 K N 0.468 120.881 120.400 0.021 0.000 2.057 136 K HA -0.013 4.301 4.320 -0.009 0.000 0.207 136 K C 2.621 179.239 176.600 0.031 0.000 1.049 136 K CA 1.551 57.855 56.287 0.027 0.000 0.931 136 K CB -0.197 32.319 32.500 0.025 0.000 0.714 136 K HN 0.299 nan 8.250 nan 0.000 0.440 137 S N 0.657 116.371 115.700 0.023 0.000 2.356 137 S HA -0.120 4.345 4.470 -0.009 0.000 0.223 137 S C 2.074 176.685 174.600 0.018 0.000 1.032 137 S CA 1.160 59.369 58.200 0.015 0.000 1.005 137 S CB -0.164 63.040 63.200 0.006 0.000 0.867 137 S HN 0.050 nan 8.310 nan 0.000 0.449 138 V N 2.028 121.961 119.914 0.032 0.000 2.332 138 V HA -0.181 3.933 4.120 -0.009 0.000 0.248 138 V C 2.180 178.308 176.094 0.057 0.000 1.055 138 V CA 1.713 64.045 62.300 0.054 0.000 1.038 138 V CB -0.600 31.259 31.823 0.060 0.000 0.651 138 V HN 0.433 nan 8.190 nan 0.000 0.450 139 L N -0.912 120.340 121.223 0.049 0.000 1.994 139 L HA -0.195 4.140 4.340 -0.009 0.000 0.208 139 L C 2.347 179.252 176.870 0.058 0.000 1.071 139 L CA 1.713 56.587 54.840 0.057 0.000 0.745 139 L CB -0.173 41.915 42.059 0.049 0.000 0.892 139 L HN 0.235 nan 8.230 nan 0.000 0.431 140 L N -0.227 121.030 121.223 0.057 0.000 2.131 140 L HA -0.182 4.153 4.340 -0.009 0.000 0.210 140 L C 2.648 179.482 176.870 -0.059 0.000 1.092 140 L CA 1.554 56.439 54.840 0.076 0.000 0.759 140 L CB -0.860 41.261 42.059 0.104 0.000 0.903 140 L HN 0.197 nan 8.230 nan 0.000 0.435 141 R N -0.364 120.091 120.500 -0.076 0.000 2.066 141 R HA -0.180 4.154 4.340 -0.009 0.000 0.232 141 R C 2.327 178.539 176.300 -0.146 0.000 1.131 141 R CA 1.471 57.471 56.100 -0.166 0.000 0.955 141 R CB -0.143 30.060 30.300 -0.161 0.000 0.851 141 R HN 0.487 nan 8.270 nan 0.000 0.432 142 E N 0.397 120.612 120.200 0.024 0.000 2.110 142 E HA -0.225 4.120 4.350 -0.009 0.000 0.193 142 E C 1.958 178.615 176.600 0.095 0.000 0.988 142 E CA 1.040 57.546 56.400 0.177 0.000 0.804 142 E CB -0.110 29.702 29.700 0.186 0.000 0.745 142 E HN 0.390 nan 8.360 nan 0.000 0.458 143 L N 0.179 121.401 121.223 -0.002 0.000 2.093 143 L HA -0.089 4.246 4.340 -0.009 0.000 0.208 143 L C 2.470 179.195 176.870 -0.242 0.000 1.085 143 L CA 1.323 56.119 54.840 -0.074 0.000 0.755 143 L CB -0.281 41.781 42.059 0.005 0.000 0.904 143 L HN 0.271 nan 8.230 nan 0.000 0.435 144 A N -1.060 121.537 122.820 -0.372 0.000 1.897 144 A HA -0.269 4.046 4.320 -0.009 0.000 0.215 144 A C 2.083 179.288 177.584 -0.632 0.000 1.181 144 A CA 1.396 53.008 52.037 -0.708 0.000 0.620 144 A CB -0.902 17.410 19.000 -1.147 0.000 0.821 144 A HN 0.587 nan 8.150 nan 0.000 0.443 145 Y N 2.117 122.040 120.300 -0.628 0.000 2.070 145 Y HA -0.258 4.286 4.550 -0.009 0.000 0.280 145 Y C 2.842 178.705 175.900 -0.062 0.000 1.148 145 Y CA 2.736 60.709 58.100 -0.210 0.000 1.125 145 Y CB -1.071 37.550 38.460 0.268 0.000 0.975 145 Y HN 0.411 nan 8.280 nan 0.000 0.492 146 T N -2.382 112.037 114.554 -0.224 0.000 2.849 146 T HA -0.106 4.239 4.350 -0.009 0.000 0.270 146 T C 2.125 176.690 174.700 -0.225 0.000 1.066 146 T CA 1.226 63.161 62.100 -0.274 0.000 1.130 146 T CB -1.265 67.557 68.868 -0.077 0.000 0.864 146 T HN 0.449 nan 8.240 nan 0.000 0.481 147 G N 1.015 109.661 108.800 -0.256 0.000 2.430 147 G HA2 0.123 4.077 3.960 -0.009 0.000 0.216 147 G HA3 0.123 4.077 3.960 -0.009 0.000 0.216 147 G C 1.489 176.312 174.900 -0.129 0.000 1.146 147 G CA 0.227 45.200 45.100 -0.212 0.000 0.793 147 G HN 0.501 nan 8.290 nan 0.000 0.537 148 L N 0.150 121.263 121.223 -0.184 0.000 2.056 148 L HA 0.033 4.368 4.340 -0.009 0.000 0.207 148 L C 2.862 179.690 176.870 -0.070 0.000 1.078 148 L CA 0.488 55.274 54.840 -0.090 0.000 0.749 148 L CB -0.391 41.631 42.059 -0.061 0.000 0.901 148 L HN 0.175 nan 8.230 nan 0.000 0.433 149 L N -0.401 120.722 121.223 -0.166 0.000 2.043 149 L HA -0.263 4.072 4.340 -0.009 0.000 0.212 149 L C 2.631 179.459 176.870 -0.070 0.000 1.075 149 L CA 1.385 56.134 54.840 -0.151 0.000 0.752 149 L CB -0.604 41.286 42.059 -0.281 0.000 0.891 149 L HN 0.275 nan 8.230 nan 0.000 0.432 150 R N 0.344 120.810 120.500 -0.057 0.000 2.339 150 R HA -0.039 4.295 4.340 -0.009 0.000 0.199 150 R C 1.117 177.427 176.300 0.017 0.000 1.018 150 R CA 0.672 56.768 56.100 -0.007 0.000 1.036 150 R CB -0.032 30.280 30.300 0.021 0.000 0.899 150 R HN 0.480 nan 8.270 nan 0.000 0.473 151 G N 0.993 109.801 108.800 0.014 0.000 2.137 151 G HA2 -0.211 3.743 3.960 -0.009 0.000 0.237 151 G HA3 -0.211 3.743 3.960 -0.009 0.000 0.237 151 G C -0.667 174.265 174.900 0.054 0.000 1.002 151 G CA 0.186 45.304 45.100 0.030 0.000 0.702 151 G HN 0.386 nan 8.290 nan 0.000 0.515 152 D N 0.118 120.569 120.400 0.086 0.000 2.339 152 D HA 0.408 5.043 4.640 -0.009 0.000 0.245 152 D C 1.101 177.493 176.300 0.153 0.000 1.115 152 D CA 0.034 54.132 54.000 0.163 0.000 0.917 152 D CB 0.663 41.668 40.800 0.341 0.000 1.192 152 D HN 0.393 nan 8.370 nan 0.000 0.428 153 R N 0.921 121.518 120.500 0.160 0.000 2.536 153 R HA 0.699 5.033 4.340 -0.009 0.000 0.279 153 R C -0.037 176.415 176.300 0.252 0.000 1.001 153 R CA -0.525 55.647 56.100 0.120 0.000 1.027 153 R CB 1.184 31.474 30.300 -0.016 0.000 1.096 153 R HN 0.399 nan 8.270 nan 0.000 0.502 154 M N 0.429 120.178 119.600 0.248 0.000 2.578 154 M HA 0.391 4.866 4.480 -0.009 0.000 0.276 154 M C -1.275 175.195 176.300 0.282 0.000 1.245 154 M CA -1.166 54.330 55.300 0.327 0.000 0.871 154 M CB 2.422 35.189 32.600 0.279 0.000 1.722 154 M HN 0.136 nan 8.290 nan 0.000 0.473 155 V N 2.882 122.966 119.914 0.283 0.000 2.407 155 V HA 0.553 4.668 4.120 -0.009 0.000 0.291 155 V C -0.692 175.465 176.094 0.104 0.000 1.018 155 V CA -0.427 61.953 62.300 0.132 0.000 0.842 155 V CB 1.615 33.537 31.823 0.164 0.000 0.996 155 V HN 0.672 nan 8.190 nan 0.000 0.426 156 I N 4.906 125.404 120.570 -0.120 0.000 2.355 156 I HA 0.343 4.507 4.170 -0.009 0.000 0.288 156 I C -0.114 176.039 176.117 0.061 0.000 0.999 156 I CA -0.879 60.385 61.300 -0.061 0.000 1.163 156 I CB 1.987 39.763 38.000 -0.373 0.000 1.316 156 I HN 0.263 nan 8.210 nan 0.000 0.454 157 V N 5.103 125.134 119.914 0.194 0.000 2.381 157 V HA 0.002 4.117 4.120 -0.009 0.000 0.257 157 V C -0.054 176.202 176.094 0.269 0.000 1.057 157 V CA 0.289 62.776 62.300 0.312 0.000 1.013 157 V CB 0.248 32.276 31.823 0.342 0.000 1.069 157 V HN 0.644 nan 8.190 nan 0.000 0.484 158 D N 7.379 127.907 120.400 0.213 0.000 2.472 158 D HA 0.374 5.009 4.640 -0.009 0.000 0.234 158 D C -2.726 173.335 176.300 -0.398 0.000 1.088 158 D CA -2.150 51.850 54.000 -0.001 0.000 0.882 158 D CB 1.739 42.615 40.800 0.127 0.000 1.037 158 D HN 0.255 nan 8.370 nan 0.000 0.520 159 P HA 0.185 nan 4.420 nan 0.000 0.271 159 P C -0.311 176.613 177.300 -0.626 0.000 1.226 159 P CA -0.088 62.318 63.100 -1.156 0.000 0.765 159 P CB 0.490 31.756 31.700 -0.723 0.000 0.835 160 N N 2.843 121.156 118.700 -0.645 0.000 2.828 160 N HA -0.173 4.561 4.740 -0.009 0.000 0.248 160 N C 0.845 176.231 175.510 -0.208 0.000 1.044 160 N CA 1.669 54.503 53.050 -0.361 0.000 0.851 160 N CB -1.922 36.404 38.487 -0.267 0.000 1.136 160 N HN 0.813 nan 8.380 nan 0.000 0.572 161 G N 0.006 108.699 108.800 -0.178 0.000 2.283 161 G HA2 -0.348 3.606 3.960 -0.009 0.000 0.280 161 G HA3 -0.348 3.606 3.960 -0.009 0.000 0.280 161 G C 0.670 175.534 174.900 -0.061 0.000 1.029 161 G CA 0.807 45.866 45.100 -0.068 0.000 0.840 161 G HN 0.478 nan 8.290 nan 0.000 0.505 162 D N -0.146 120.214 120.400 -0.067 0.000 2.117 162 D HA -0.033 4.602 4.640 -0.009 0.000 0.198 162 D C 2.529 178.829 176.300 -0.002 0.000 0.982 162 D CA 0.953 54.923 54.000 -0.049 0.000 0.828 162 D CB -0.083 40.683 40.800 -0.058 0.000 0.967 162 D HN 0.382 nan 8.370 nan 0.000 0.464 163 M N 0.133 119.784 119.600 0.085 0.000 2.319 163 M HA -0.004 4.470 4.480 -0.009 0.000 0.265 163 M C 2.056 178.541 176.300 0.309 0.000 1.068 163 M CA 0.423 55.886 55.300 0.272 0.000 1.118 163 M CB -0.556 32.205 32.600 0.268 0.000 1.395 163 M HN 0.061 nan 8.290 nan 0.000 0.435 164 L N 0.657 121.871 121.223 -0.015 0.000 2.023 164 L HA -0.096 4.238 4.340 -0.009 0.000 0.205 164 L C 2.499 179.167 176.870 -0.337 0.000 1.073 164 L CA 2.235 56.712 54.840 -0.605 0.000 0.745 164 L CB -0.985 40.788 42.059 -0.478 0.000 0.900 164 L HN 0.372 nan 8.230 nan 0.000 0.435 165 S N -1.442 114.147 115.700 -0.184 0.000 2.465 165 S HA -0.119 4.346 4.470 -0.009 0.000 0.241 165 S C 1.744 176.241 174.600 -0.172 0.000 1.000 165 S CA 0.887 58.998 58.200 -0.149 0.000 0.964 165 S CB -0.440 62.700 63.200 -0.100 0.000 0.763 165 S HN 0.465 nan 8.310 nan 0.000 0.512 166 K N -0.100 120.167 120.400 -0.222 0.000 2.350 166 K HA 0.333 4.648 4.320 -0.009 0.000 0.196 166 K C 0.466 176.685 176.600 -0.635 0.000 1.084 166 K CA 0.485 56.498 56.287 -0.456 0.000 0.967 166 K CB -0.107 31.984 32.500 -0.681 0.000 0.950 166 K HN 0.552 nan 8.250 nan 0.000 0.512 167 F N 0.519 120.460 119.950 -0.015 0.000 2.746 167 F HA 0.304 4.826 4.527 -0.008 0.000 0.320 167 F C 1.152 176.977 175.800 0.043 0.000 1.097 167 F CA -0.809 57.234 58.000 0.072 0.000 1.195 167 F CB 0.253 39.342 39.000 0.148 0.000 1.056 167 F HN -0.174 nan 8.300 nan 0.000 0.562 168 G N 2.136 110.885 108.800 -0.084 0.000 2.340 168 G HA2 0.372 4.327 3.960 -0.009 0.000 0.245 168 G HA3 0.372 4.327 3.960 -0.009 0.000 0.245 168 G C 0.234 175.108 174.900 -0.044 0.000 1.294 168 G CA -0.331 44.613 45.100 -0.261 0.000 0.896 168 G HN -0.038 nan 8.290 nan 0.000 0.522 169 R N 1.514 122.036 120.500 0.038 0.000 2.893 169 R HA 0.327 4.661 4.340 -0.009 0.000 0.245 169 R C 0.240 176.565 176.300 0.042 0.000 1.192 169 R CA -0.911 55.227 56.100 0.063 0.000 1.077 169 R CB 0.787 31.157 30.300 0.118 0.000 1.253 169 R HN 0.483 nan 8.270 nan 0.000 0.505 170 D N 1.205 121.633 120.400 0.046 0.000 2.162 170 D HA -0.095 4.540 4.640 -0.009 0.000 0.203 170 D C 1.334 177.673 176.300 0.064 0.000 0.967 170 D CA 1.322 55.345 54.000 0.038 0.000 0.840 170 D CB 0.247 41.066 40.800 0.032 0.000 0.972 170 D HN 0.474 nan 8.370 nan 0.000 0.482 171 K N 0.812 121.265 120.400 0.088 0.000 2.486 171 K HA 0.007 4.322 4.320 -0.009 0.000 0.194 171 K C 0.052 176.756 176.600 0.173 0.000 1.033 171 K CA 0.255 56.611 56.287 0.115 0.000 1.004 171 K CB 0.196 32.758 32.500 0.103 0.000 0.798 171 K HN -0.115 nan 8.250 nan 0.000 0.495 172 D N 1.518 122.028 120.400 0.183 0.000 2.341 172 D HA 0.144 4.779 4.640 -0.009 0.000 0.245 172 D C 0.247 176.674 176.300 0.211 0.000 1.106 172 D CA -0.309 53.855 54.000 0.274 0.000 0.905 172 D CB 0.819 41.819 40.800 0.333 0.000 1.202 172 D HN -0.043 nan 8.370 nan 0.000 0.426 173 I N 1.365 122.084 120.570 0.248 0.000 2.577 173 I HA 0.389 4.553 4.170 -0.009 0.000 0.300 173 I C 0.506 176.581 176.117 -0.070 0.000 0.990 173 I CA -0.517 60.774 61.300 -0.014 0.000 1.283 173 I CB 0.617 38.465 38.000 -0.252 0.000 1.411 173 I HN 0.215 nan 8.210 nan 0.000 0.515 174 I N 5.330 125.765 120.570 -0.225 0.000 2.534 174 I HA 0.348 4.513 4.170 -0.009 0.000 0.288 174 I C -0.932 174.977 176.117 -0.347 0.000 1.077 174 I CA -0.471 60.721 61.300 -0.180 0.000 1.051 174 I CB 2.475 40.422 38.000 -0.089 0.000 1.234 174 I HN 0.238 nan 8.210 nan 0.000 0.425 175 L N 6.729 127.707 121.223 -0.408 0.000 2.318 175 L HA 0.534 4.868 4.340 -0.009 0.000 0.277 175 L C -0.595 176.122 176.870 -0.255 0.000 1.008 175 L CA -0.298 54.150 54.840 -0.653 0.000 0.846 175 L CB 1.125 42.316 42.059 -1.447 0.000 1.220 175 L HN 0.546 nan 8.230 nan 0.000 0.423 176 N N 5.598 124.307 118.700 0.014 0.000 2.697 176 N HA 0.157 4.892 4.740 -0.009 0.000 0.271 176 N C -2.389 173.282 175.510 0.269 0.000 1.149 176 N CA -1.038 52.184 53.050 0.288 0.000 0.939 176 N CB 2.586 41.253 38.487 0.299 0.000 1.534 176 N HN 0.111 nan 8.380 nan 0.000 0.556 177 P HA -0.120 nan 4.420 nan 0.000 0.220 177 P C 0.148 177.326 177.300 -0.203 0.000 1.144 177 P CA 1.300 64.396 63.100 -0.007 0.000 0.800 177 P CB 0.055 31.662 31.700 -0.155 0.000 0.772 178 Y N -1.093 119.356 120.300 0.249 0.000 2.636 178 Y HA 0.321 4.865 4.550 -0.009 0.000 0.260 178 Y C 0.724 176.811 175.900 0.311 0.000 1.177 178 Y CA -0.688 57.580 58.100 0.279 0.000 1.209 178 Y CB 0.208 38.872 38.460 0.339 0.000 1.166 178 Y HN -0.072 nan 8.280 nan 0.000 0.531 179 D N 0.587 121.174 120.400 0.313 0.000 2.278 179 D HA 0.084 4.718 4.640 -0.009 0.000 0.245 179 D C 0.481 176.786 176.300 0.008 0.000 1.052 179 D CA -0.200 53.870 54.000 0.116 0.000 0.834 179 D CB 1.770 42.690 40.800 0.200 0.000 1.194 179 D HN 0.210 nan 8.370 nan 0.000 0.481 180 Q N 2.198 121.953 119.800 -0.075 0.000 2.368 180 Q HA -0.112 4.223 4.340 -0.009 0.000 0.210 180 Q C 1.407 177.382 176.000 -0.042 0.000 0.982 180 Q CA 1.219 56.989 55.803 -0.055 0.000 0.884 180 Q CB 0.331 29.022 28.738 -0.079 0.000 0.933 180 Q HN 0.383 nan 8.270 nan 0.000 0.460 181 R N -0.844 119.629 120.500 -0.046 0.000 2.276 181 R HA 0.074 4.409 4.340 -0.009 0.000 0.196 181 R C 0.496 176.762 176.300 -0.057 0.000 0.961 181 R CA 0.214 56.286 56.100 -0.047 0.000 1.024 181 R CB 0.203 30.471 30.300 -0.053 0.000 0.940 181 R HN 0.062 nan 8.270 nan 0.000 0.480 182 T N 2.001 116.526 114.554 -0.047 0.000 2.908 182 T HA -0.012 4.332 4.350 -0.009 0.000 0.325 182 T C 0.539 175.176 174.700 -0.106 0.000 1.092 182 T CA 0.426 62.473 62.100 -0.088 0.000 1.125 182 T CB 0.631 69.480 68.868 -0.032 0.000 1.016 182 T HN -0.053 nan 8.240 nan 0.000 0.550 183 K N 1.171 121.440 120.400 -0.217 0.000 2.107 183 K HA 0.395 4.710 4.320 -0.009 0.000 0.251 183 K C 0.633 177.228 176.600 -0.008 0.000 1.012 183 K CA -0.387 55.788 56.287 -0.187 0.000 0.920 183 K CB 0.869 33.016 32.500 -0.589 0.000 1.033 183 K HN 0.758 nan 8.250 nan 0.000 0.478 184 G N 0.650 109.521 108.800 0.119 0.000 2.325 184 G HA2 0.338 4.293 3.960 -0.009 0.000 0.298 184 G HA3 0.338 4.293 3.960 -0.009 0.000 0.298 184 G C -1.456 173.660 174.900 0.360 0.000 1.134 184 G CA -0.346 44.869 45.100 0.192 0.000 0.876 184 G HN 0.576 nan 8.290 nan 0.000 0.452 185 W N 1.865 123.267 121.300 0.170 0.000 3.167 185 W HA 0.650 5.304 4.660 -0.010 0.000 0.324 185 W C -0.660 176.027 176.519 0.280 0.000 1.230 185 W CA -0.831 56.666 57.345 0.254 0.000 1.184 185 W CB 2.246 31.895 29.460 0.315 0.000 1.414 185 W HN 0.807 nan 8.180 nan 0.000 0.551 186 S N 3.802 118.901 115.700 -1.001 0.000 2.537 186 S HA 0.272 4.737 4.470 -0.009 0.000 0.271 186 S C 0.099 173.852 174.600 -1.412 0.000 1.148 186 S CA -0.367 57.279 58.200 -0.924 0.000 0.868 186 S CB 0.138 63.212 63.200 -0.211 0.000 1.115 186 S HN 0.954 nan 8.310 nan 0.000 0.461 187 F N 2.659 121.952 119.950 -1.095 0.000 2.494 187 F HA 0.203 4.725 4.527 -0.009 0.000 0.298 187 F C 0.936 176.490 175.800 -0.410 0.000 1.106 187 F CA 0.592 58.260 58.000 -0.553 0.000 1.452 187 F CB -0.734 38.147 39.000 -0.198 0.000 1.085 187 F HN 0.493 nan 8.300 nan 0.000 0.569 188 F N 1.711 120.994 119.950 -1.112 0.000 2.234 188 F HA -0.121 4.401 4.527 -0.008 0.000 0.299 188 F C 1.981 177.454 175.800 -0.545 0.000 1.087 188 F CA 1.268 58.742 58.000 -0.877 0.000 1.340 188 F CB -0.803 37.830 39.000 -0.610 0.000 1.031 188 F HN 0.037 nan 8.300 nan 0.000 0.500 189 N N 0.290 118.834 118.700 -0.260 0.000 2.520 189 N HA -0.120 4.614 4.740 -0.009 0.000 0.185 189 N C 1.111 176.513 175.510 -0.179 0.000 1.068 189 N CA 0.822 53.772 53.050 -0.167 0.000 0.911 189 N CB -0.303 38.133 38.487 -0.084 0.000 0.961 189 N HN 0.405 nan 8.380 nan 0.000 0.446 190 E N 0.237 120.267 120.200 -0.283 0.000 2.472 190 E HA 0.123 4.468 4.350 -0.009 0.000 0.196 190 E C 0.385 176.631 176.600 -0.590 0.000 1.033 190 E CA -0.119 56.030 56.400 -0.418 0.000 0.886 190 E CB 0.697 30.046 29.700 -0.585 0.000 0.944 190 E HN 0.230 nan 8.360 nan 0.000 0.492 191 I N 1.739 121.983 120.570 -0.542 0.000 2.396 191 I HA 0.137 4.301 4.170 -0.009 0.000 0.289 191 I C 1.342 177.231 176.117 -0.381 0.000 1.056 191 I CA 0.381 61.330 61.300 -0.585 0.000 1.365 191 I CB 0.685 38.158 38.000 -0.878 0.000 1.407 191 I HN -0.043 nan 8.210 nan 0.000 0.509 192 R N 3.452 123.754 120.500 -0.329 0.000 2.437 192 R HA 0.225 4.560 4.340 -0.009 0.000 0.184 192 R C 0.321 176.500 176.300 -0.202 0.000 0.850 192 R CA -0.082 55.890 56.100 -0.213 0.000 1.073 192 R CB 0.487 30.696 30.300 -0.153 0.000 1.336 192 R HN 0.613 nan 8.270 nan 0.000 0.640 193 N N 0.449 118.962 118.700 -0.311 0.000 2.671 193 N HA 0.070 4.805 4.740 -0.009 0.000 0.303 193 N C -0.099 175.273 175.510 -0.230 0.000 1.277 193 N CA -0.455 52.427 53.050 -0.280 0.000 0.933 193 N CB 0.853 39.050 38.487 -0.484 0.000 1.190 193 N HN -0.098 nan 8.380 nan 0.000 0.600 194 D N 0.133 120.506 120.400 -0.046 0.000 2.123 194 D HA -0.105 4.529 4.640 -0.009 0.000 0.200 194 D C 1.628 178.044 176.300 0.194 0.000 0.976 194 D CA 1.147 55.246 54.000 0.167 0.000 0.831 194 D CB 0.028 40.948 40.800 0.201 0.000 0.974 194 D HN 0.607 nan 8.370 nan 0.000 0.469 195 Y N 0.292 120.685 120.300 0.155 0.000 2.639 195 Y HA 0.038 4.585 4.550 -0.005 0.000 0.297 195 Y C 1.141 177.127 175.900 0.144 0.000 1.151 195 Y CA 0.470 58.653 58.100 0.139 0.000 1.335 195 Y CB -0.440 38.073 38.460 0.089 0.000 0.994 195 Y HN -0.212 nan 8.280 nan 0.000 0.548 196 D N -0.299 119.981 120.400 -0.200 0.000 2.347 196 D HA -0.082 4.553 4.640 -0.009 0.000 0.213 196 D C 1.205 177.605 176.300 0.168 0.000 0.985 196 D CA 0.742 54.739 54.000 -0.005 0.000 0.879 196 D CB -0.421 40.275 40.800 -0.174 0.000 0.919 196 D HN 0.552 nan 8.370 nan 0.000 0.526 197 W N 1.982 123.390 121.300 0.181 0.000 2.408 197 W HA -0.132 4.522 4.660 -0.010 0.000 0.311 197 W C 2.706 179.328 176.519 0.171 0.000 1.190 197 W CA 0.754 58.216 57.345 0.196 0.000 1.321 197 W CB -0.216 29.329 29.460 0.141 0.000 1.143 197 W HN 0.030 nan 8.180 nan 0.000 0.501 198 Q N 0.429 120.446 119.800 0.362 0.000 2.046 198 Q HA -0.180 4.155 4.340 -0.009 0.000 0.200 198 Q C 2.183 178.264 176.000 0.134 0.000 0.975 198 Q CA 1.272 57.203 55.803 0.214 0.000 0.836 198 Q CB -0.968 27.873 28.738 0.171 0.000 0.896 198 Q HN 0.298 nan 8.270 nan 0.000 0.428 199 R N 0.018 120.587 120.500 0.115 0.000 2.119 199 R HA -0.197 4.138 4.340 -0.009 0.000 0.246 199 R C 1.245 177.362 176.300 -0.306 0.000 1.146 199 R CA 1.943 57.991 56.100 -0.086 0.000 0.962 199 R CB -0.152 30.098 30.300 -0.084 0.000 0.863 199 R HN 0.412 nan 8.270 nan 0.000 0.442 200 Y N -1.384 118.991 120.300 0.125 0.000 2.462 200 Y HA 0.267 4.813 4.550 -0.007 0.000 0.261 200 Y C 1.869 177.802 175.900 0.054 0.000 1.146 200 Y CA 0.291 58.470 58.100 0.132 0.000 1.283 200 Y CB 0.384 38.960 38.460 0.193 0.000 1.090 200 Y HN 0.167 nan 8.280 nan 0.000 0.526 201 A N -0.421 122.464 122.820 0.108 0.000 1.970 201 A HA -0.054 4.261 4.320 -0.009 0.000 0.216 201 A C 1.884 179.452 177.584 -0.026 0.000 1.170 201 A CA 0.949 52.977 52.037 -0.014 0.000 0.645 201 A CB -0.565 18.463 19.000 0.046 0.000 0.816 201 A HN 0.347 nan 8.150 nan 0.000 0.447 202 L N -0.297 120.923 121.223 -0.006 0.000 2.201 202 L HA -0.034 4.300 4.340 -0.009 0.000 0.212 202 L C 2.549 179.410 176.870 -0.015 0.000 1.105 202 L CA 1.775 56.602 54.840 -0.022 0.000 0.775 202 L CB -0.445 41.594 42.059 -0.034 0.000 0.913 202 L HN 0.302 nan 8.230 nan 0.000 0.440 203 S N -1.836 113.872 115.700 0.013 0.000 2.406 203 S HA -0.031 4.434 4.470 -0.009 0.000 0.224 203 S C 1.887 176.526 174.600 0.065 0.000 1.030 203 S CA 0.860 59.102 58.200 0.070 0.000 0.958 203 S CB 0.122 63.434 63.200 0.188 0.000 0.811 203 S HN 0.220 nan 8.310 nan 0.000 0.489 204 V N 0.997 120.914 119.914 0.005 0.000 2.488 204 V HA 0.068 4.182 4.120 -0.009 0.000 0.246 204 V C 0.620 176.655 176.094 -0.099 0.000 1.046 204 V CA 0.881 63.123 62.300 -0.097 0.000 1.053 204 V CB -0.203 31.379 31.823 -0.401 0.000 0.679 204 V HN 0.226 nan 8.190 nan 0.000 0.458 205 V N 3.586 123.452 119.914 -0.080 0.000 2.266 205 V HA 0.321 4.436 4.120 -0.009 0.000 0.271 205 V C -2.203 173.869 176.094 -0.037 0.000 1.032 205 V CA -1.757 60.511 62.300 -0.053 0.000 0.806 205 V CB 1.031 32.826 31.823 -0.045 0.000 1.052 205 V HN 0.298 nan 8.190 nan 0.000 0.449 206 P HA 0.129 nan 4.420 nan 0.000 0.271 206 P C -0.151 177.107 177.300 -0.069 0.000 1.233 206 P CA -0.432 62.637 63.100 -0.052 0.000 0.789 206 P CB 0.796 32.461 31.700 -0.059 0.000 0.951 207 R N 0.373 120.815 120.500 -0.097 0.000 2.640 207 R HA 0.171 4.506 4.340 -0.009 0.000 0.270 207 R C 1.087 177.312 176.300 -0.124 0.000 1.024 207 R CA 0.392 56.424 56.100 -0.113 0.000 1.085 207 R CB -0.689 29.530 30.300 -0.135 0.000 0.963 207 R HN 0.633 nan 8.270 nan 0.000 0.426 208 G N 1.068 109.799 108.800 -0.115 0.000 2.483 208 G HA2 0.014 3.968 3.960 -0.009 0.000 0.248 208 G HA3 0.014 3.968 3.960 -0.009 0.000 0.248 208 G C 0.859 175.679 174.900 -0.134 0.000 1.248 208 G CA -0.414 44.616 45.100 -0.116 0.000 0.838 208 G HN 0.656 nan 8.290 nan 0.000 0.566 209 K N -0.129 120.202 120.400 -0.116 0.000 2.057 209 K HA -0.073 4.242 4.320 -0.009 0.000 0.207 209 K C 1.430 177.966 176.600 -0.107 0.000 1.049 209 K CA 1.633 57.857 56.287 -0.105 0.000 0.931 209 K CB -0.173 32.285 32.500 -0.071 0.000 0.714 209 K HN 0.626 nan 8.250 nan 0.000 0.440 210 T N -2.044 112.428 114.554 -0.137 0.000 2.949 210 T HA 0.193 4.538 4.350 -0.009 0.000 0.287 210 T C 0.425 175.005 174.700 -0.201 0.000 1.034 210 T CA -0.869 61.139 62.100 -0.152 0.000 1.018 210 T CB 1.394 70.164 68.868 -0.163 0.000 1.135 210 T HN -0.058 nan 8.240 nan 0.000 0.532 211 D N 0.011 120.302 120.400 -0.183 0.000 2.144 211 D HA -0.099 4.536 4.640 -0.009 0.000 0.199 211 D C 1.750 177.868 176.300 -0.303 0.000 0.984 211 D CA 1.311 55.194 54.000 -0.196 0.000 0.834 211 D CB -0.055 40.660 40.800 -0.141 0.000 0.955 211 D HN 0.861 nan 8.370 nan 0.000 0.465 212 E N 0.301 120.262 120.200 -0.398 0.000 2.072 212 E HA -0.088 4.257 4.350 -0.009 0.000 0.190 212 E C 1.953 177.829 176.600 -1.207 0.000 0.982 212 E CA 0.855 56.847 56.400 -0.681 0.000 0.803 212 E CB 0.042 29.373 29.700 -0.615 0.000 0.755 212 E HN 0.149 nan 8.360 nan 0.000 0.453 213 A N 0.904 123.170 122.820 -0.923 0.000 2.015 213 A HA -0.185 4.130 4.320 -0.009 0.000 0.219 213 A C 1.994 179.371 177.584 -0.344 0.000 1.163 213 A CA 1.651 53.279 52.037 -0.681 0.000 0.646 213 A CB -0.413 18.422 19.000 -0.275 0.000 0.806 213 A HN 0.279 nan 8.150 nan 0.000 0.448 214 E N 0.368 120.372 120.200 -0.326 0.000 2.216 214 E HA -0.132 4.213 4.350 -0.009 0.000 0.192 214 E C 1.840 178.293 176.600 -0.245 0.000 0.988 214 E CA 1.310 57.582 56.400 -0.214 0.000 0.834 214 E CB -0.271 29.319 29.700 -0.184 0.000 0.772 214 E HN 0.701 nan 8.360 nan 0.000 0.479 215 E N -0.641 119.341 120.200 -0.363 0.000 2.047 215 E HA -0.158 4.187 4.350 -0.009 0.000 0.191 215 E C 1.347 177.729 176.600 -0.363 0.000 0.987 215 E CA 1.275 57.438 56.400 -0.396 0.000 0.799 215 E CB -0.212 29.284 29.700 -0.339 0.000 0.752 215 E HN 0.369 nan 8.360 nan 0.000 0.449 216 W N 0.407 121.642 121.300 -0.108 0.000 2.388 216 W HA 0.043 4.699 4.660 -0.006 0.000 0.294 216 W C 2.376 178.912 176.519 0.029 0.000 1.212 216 W CA 0.743 58.140 57.345 0.086 0.000 1.271 216 W CB -1.199 28.346 29.460 0.142 0.000 1.126 216 W HN 0.195 nan 8.180 nan 0.000 0.535 217 A N 0.374 123.286 122.820 0.154 0.000 1.933 217 A HA -0.164 4.150 4.320 -0.009 0.000 0.218 217 A C 2.231 179.828 177.584 0.022 0.000 1.175 217 A CA 2.180 54.263 52.037 0.077 0.000 0.628 217 A CB -0.955 18.047 19.000 0.004 0.000 0.814 217 A HN 0.159 nan 8.150 nan 0.000 0.444 218 S N -1.036 114.606 115.700 -0.097 0.000 2.382 218 S HA -0.146 4.318 4.470 -0.009 0.000 0.228 218 S C 1.818 176.414 174.600 -0.006 0.000 1.027 218 S CA 1.555 59.675 58.200 -0.134 0.000 0.991 218 S CB -0.529 62.486 63.200 -0.308 0.000 0.823 218 S HN 0.665 nan 8.310 nan 0.000 0.469 219 Y N 1.738 122.149 120.300 0.184 0.000 2.200 219 Y HA 0.038 4.583 4.550 -0.007 0.000 0.290 219 Y C 2.769 178.824 175.900 0.258 0.000 1.137 219 Y CA 0.247 58.517 58.100 0.283 0.000 1.163 219 Y CB -1.426 37.242 38.460 0.348 0.000 0.988 219 Y HN 0.299 nan 8.280 nan 0.000 0.518 220 G N -0.058 108.924 108.800 0.302 0.000 2.440 220 G HA2 -0.260 3.695 3.960 -0.009 0.000 0.218 220 G HA3 -0.260 3.695 3.960 -0.009 0.000 0.218 220 G C 1.820 176.785 174.900 0.108 0.000 1.154 220 G CA 0.937 46.130 45.100 0.155 0.000 0.767 220 G HN 0.318 nan 8.290 nan 0.000 0.552 221 R N -0.721 119.840 120.500 0.102 0.000 2.090 221 R HA 0.082 4.416 4.340 -0.009 0.000 0.228 221 R C 2.418 178.785 176.300 0.112 0.000 1.110 221 R CA 0.801 56.941 56.100 0.067 0.000 0.973 221 R CB -0.478 29.848 30.300 0.042 0.000 0.869 221 R HN 0.359 nan 8.270 nan 0.000 0.440 222 L N 1.229 122.559 121.223 0.179 0.000 1.994 222 L HA -0.151 4.183 4.340 -0.009 0.000 0.208 222 L C 2.024 179.046 176.870 0.253 0.000 1.071 222 L CA 1.591 56.549 54.840 0.197 0.000 0.745 222 L CB -0.787 41.398 42.059 0.209 0.000 0.892 222 L HN 0.117 nan 8.230 nan 0.000 0.431 223 L N -0.779 120.650 121.223 0.344 0.000 1.970 223 L HA -0.191 4.143 4.340 -0.009 0.000 0.212 223 L C 2.426 179.343 176.870 0.078 0.000 1.071 223 L CA 2.117 57.070 54.840 0.188 0.000 0.751 223 L CB -1.158 40.871 42.059 -0.051 0.000 0.889 223 L HN 0.394 nan 8.230 nan 0.000 0.432 224 L N 0.336 121.586 121.223 0.045 0.000 1.990 224 L HA -0.260 4.074 4.340 -0.009 0.000 0.213 224 L C 2.916 179.818 176.870 0.054 0.000 1.072 224 L CA 2.598 57.444 54.840 0.010 0.000 0.755 224 L CB -0.775 41.239 42.059 -0.075 0.000 0.889 224 L HN 0.570 nan 8.230 nan 0.000 0.432 225 R N -1.208 119.335 120.500 0.072 0.000 2.096 225 R HA -0.178 4.157 4.340 -0.009 0.000 0.235 225 R C 2.029 178.268 176.300 -0.102 0.000 1.127 225 R CA 1.639 57.789 56.100 0.084 0.000 0.968 225 R CB -0.639 29.755 30.300 0.156 0.000 0.861 225 R HN 0.309 nan 8.270 nan 0.000 0.440 226 E N 0.436 120.613 120.200 -0.038 0.000 2.107 226 E HA -0.048 4.296 4.350 -0.009 0.000 0.191 226 E C 1.782 178.342 176.600 -0.066 0.000 0.982 226 E CA 1.839 58.188 56.400 -0.084 0.000 0.809 226 E CB -0.112 29.590 29.700 0.003 0.000 0.756 226 E HN 0.387 nan 8.360 nan 0.000 0.459 227 T N 0.078 114.656 114.554 0.041 0.000 2.737 227 T HA -0.126 4.218 4.350 -0.009 0.000 0.265 227 T C 1.846 176.652 174.700 0.176 0.000 1.038 227 T CA 1.440 63.641 62.100 0.169 0.000 1.144 227 T CB -0.431 68.522 68.868 0.140 0.000 0.866 227 T HN 0.281 nan 8.240 nan 0.000 0.434 228 A N 1.555 124.459 122.820 0.140 0.000 1.902 228 A HA -0.124 4.190 4.320 -0.009 0.000 0.217 228 A C 2.221 179.744 177.584 -0.101 0.000 1.181 228 A CA 1.993 54.199 52.037 0.280 0.000 0.623 228 A CB -0.581 18.665 19.000 0.411 0.000 0.818 228 A HN 0.474 nan 8.150 nan 0.000 0.443 229 K N -0.139 119.821 120.400 -0.733 0.000 2.063 229 K HA -0.229 4.086 4.320 -0.009 0.000 0.208 229 K C 2.207 178.609 176.600 -0.331 0.000 1.048 229 K CA 1.983 57.656 56.287 -1.023 0.000 0.928 229 K CB -0.182 31.728 32.500 -0.984 0.000 0.713 229 K HN 0.486 nan 8.250 nan 0.000 0.442 230 K N 0.694 120.975 120.400 -0.199 0.000 2.001 230 K HA -0.123 4.191 4.320 -0.009 0.000 0.208 230 K C 2.176 178.766 176.600 -0.017 0.000 1.048 230 K CA 1.368 57.565 56.287 -0.150 0.000 0.932 230 K CB -0.162 32.168 32.500 -0.283 0.000 0.715 230 K HN 0.131 nan 8.250 nan 0.000 0.437 231 L N 0.721 122.036 121.223 0.154 0.000 2.081 231 L HA -0.235 4.099 4.340 -0.009 0.000 0.212 231 L C 2.597 179.514 176.870 0.078 0.000 1.080 231 L CA 1.347 56.311 54.840 0.208 0.000 0.754 231 L CB -0.534 41.704 42.059 0.299 0.000 0.893 231 L HN 0.360 nan 8.230 nan 0.000 0.433 232 A N -0.301 122.580 122.820 0.102 0.000 1.930 232 A HA -0.138 4.177 4.320 -0.009 0.000 0.217 232 A C 2.242 179.859 177.584 0.055 0.000 1.175 232 A CA 1.261 53.356 52.037 0.098 0.000 0.627 232 A CB -0.492 18.735 19.000 0.378 0.000 0.815 232 A HN 0.362 nan 8.150 nan 0.000 0.443 233 L N -0.105 121.136 121.223 0.029 0.000 2.072 233 L HA -0.075 4.260 4.340 -0.009 0.000 0.205 233 L C 2.352 179.216 176.870 -0.011 0.000 1.079 233 L CA 1.422 56.263 54.840 0.002 0.000 0.752 233 L CB -0.492 41.546 42.059 -0.035 0.000 0.906 233 L HN 0.662 nan 8.230 nan 0.000 0.436 234 I N -2.348 118.215 120.570 -0.013 0.000 3.456 234 I HA 0.137 4.301 4.170 -0.009 0.000 0.291 234 I C 1.253 177.376 176.117 0.009 0.000 1.307 234 I CA 0.713 62.011 61.300 -0.003 0.000 1.333 234 I CB -0.811 37.199 38.000 0.018 0.000 1.032 234 I HN 0.324 nan 8.210 nan 0.000 0.506 235 G N 1.466 110.265 108.800 -0.002 0.000 2.153 235 G HA2 -0.260 3.695 3.960 -0.009 0.000 0.252 235 G HA3 -0.260 3.695 3.960 -0.009 0.000 0.252 235 G C 0.292 175.172 174.900 -0.034 0.000 0.994 235 G CA 0.488 45.577 45.100 -0.019 0.000 0.698 235 G HN 0.491 nan 8.290 nan 0.000 0.521 236 T N 1.994 116.533 114.554 -0.025 0.000 3.350 236 T HA 0.434 4.778 4.350 -0.009 0.000 0.246 236 T C -2.096 172.529 174.700 -0.125 0.000 1.284 236 T CA -0.595 61.485 62.100 -0.033 0.000 1.329 236 T CB 1.539 70.442 68.868 0.058 0.000 1.033 236 T HN 0.282 nan 8.240 nan 0.000 0.632 237 P HA 0.159 nan 4.420 nan 0.000 0.231 237 P C -0.174 176.669 177.300 -0.762 0.000 1.756 237 P CA 0.126 62.710 63.100 -0.860 0.000 0.990 237 P CB -0.139 30.958 31.700 -1.004 0.000 1.973 238 S N 1.841 117.375 115.700 -0.277 0.000 2.475 238 S HA 0.396 4.861 4.470 -0.009 0.000 0.298 238 S C 1.297 176.009 174.600 0.185 0.000 1.119 238 S CA -0.718 57.456 58.200 -0.044 0.000 1.085 238 S CB 0.730 63.931 63.200 0.000 0.000 1.028 238 S HN -0.082 nan 8.310 nan 0.000 0.489 239 M N 3.647 123.396 119.600 0.248 0.000 2.319 239 M HA 0.119 4.593 4.480 -0.009 0.000 0.265 239 M C 1.986 178.447 176.300 0.268 0.000 1.068 239 M CA 1.182 56.690 55.300 0.347 0.000 1.118 239 M CB -1.209 31.578 32.600 0.311 0.000 1.395 239 M HN 0.718 nan 8.290 nan 0.000 0.435 240 R N -0.099 120.499 120.500 0.163 0.000 2.081 240 R HA -0.126 4.208 4.340 -0.009 0.000 0.235 240 R C 2.083 178.485 176.300 0.170 0.000 1.131 240 R CA 0.956 57.132 56.100 0.126 0.000 0.960 240 R CB -0.046 30.280 30.300 0.043 0.000 0.856 240 R HN 0.322 nan 8.270 nan 0.000 0.436 241 E N 0.786 121.067 120.200 0.136 0.000 2.046 241 E HA -0.156 4.188 4.350 -0.009 0.000 0.190 241 E C 1.971 178.713 176.600 0.236 0.000 0.982 241 E CA 0.713 57.173 56.400 0.100 0.000 0.800 241 E CB -0.296 29.494 29.700 0.150 0.000 0.756 241 E HN 0.103 nan 8.360 nan 0.000 0.449 242 L N 0.514 121.939 121.223 0.336 0.000 1.990 242 L HA -0.183 4.152 4.340 -0.009 0.000 0.213 242 L C 2.294 179.321 176.870 0.262 0.000 1.072 242 L CA 1.703 56.761 54.840 0.363 0.000 0.755 242 L CB -0.839 41.494 42.059 0.456 0.000 0.889 242 L HN 0.101 nan 8.230 nan 0.000 0.432 243 F N -0.744 119.276 119.950 0.117 0.000 2.216 243 F HA -0.230 4.291 4.527 -0.010 0.000 0.300 243 F C 2.645 178.427 175.800 -0.031 0.000 1.085 243 F CA 1.960 59.985 58.000 0.041 0.000 1.326 243 F CB -0.515 38.514 39.000 0.049 0.000 1.027 243 F HN 0.397 nan 8.300 nan 0.000 0.497 244 H N -0.899 118.201 119.070 0.051 0.000 2.326 244 H HA -0.198 4.353 4.556 -0.009 0.000 0.301 244 H C 2.077 177.191 175.328 -0.358 0.000 1.081 244 H CA 2.355 58.286 56.048 -0.195 0.000 1.334 244 H CB -0.982 28.569 29.762 -0.351 0.000 1.385 244 H HN 0.449 nan 8.280 nan 0.000 0.504 245 W N 1.115 122.333 121.300 -0.137 0.000 2.329 245 W HA -0.214 4.441 4.660 -0.009 0.000 0.324 245 W C 3.050 179.343 176.519 -0.377 0.000 1.222 245 W CA 2.037 59.198 57.345 -0.308 0.000 1.270 245 W CB -0.618 28.544 29.460 -0.497 0.000 1.167 245 W HN 0.309 nan 8.180 nan 0.000 0.467 246 T N -4.083 110.418 114.554 -0.088 0.000 3.007 246 T HA -0.069 4.276 4.350 -0.009 0.000 0.270 246 T C 1.271 175.735 174.700 -0.393 0.000 1.107 246 T CA 1.718 63.676 62.100 -0.237 0.000 1.118 246 T CB -0.333 68.420 68.868 -0.191 0.000 0.889 246 T HN 0.017 nan 8.240 nan 0.000 0.506 247 T N 0.244 114.481 114.554 -0.529 0.000 3.057 247 T HA 0.393 4.738 4.350 -0.009 0.000 0.254 247 T C 1.461 175.843 174.700 -0.529 0.000 0.965 247 T CA -0.195 61.530 62.100 -0.625 0.000 0.978 247 T CB 0.296 68.515 68.868 -1.082 0.000 1.169 247 T HN 0.179 nan 8.240 nan 0.000 0.489 248 I N 1.537 121.740 120.570 -0.612 0.000 2.927 248 I HA 0.367 4.532 4.170 -0.009 0.000 0.268 248 I C 1.579 177.337 176.117 -0.598 0.000 1.153 248 I CA 0.118 61.064 61.300 -0.590 0.000 1.459 248 I CB -1.461 36.128 38.000 -0.685 0.000 1.149 248 I HN 0.086 nan 8.210 nan 0.000 0.443 249 A N 1.968 124.364 122.820 -0.708 0.000 2.492 249 A HA 0.234 4.548 4.320 -0.009 0.000 0.236 249 A C 0.965 178.468 177.584 -0.136 0.000 1.078 249 A CA 0.386 52.231 52.037 -0.320 0.000 0.773 249 A CB -0.326 18.664 19.000 -0.016 0.000 1.023 249 A HN 0.510 nan 8.150 nan 0.000 0.504 250 T N -1.307 113.240 114.554 -0.012 0.000 2.828 250 T HA 0.344 4.689 4.350 -0.009 0.000 0.290 250 T C 0.821 175.567 174.700 0.077 0.000 1.019 250 T CA 0.104 62.231 62.100 0.045 0.000 1.031 250 T CB 0.154 69.066 68.868 0.072 0.000 1.001 250 T HN 0.369 nan 8.240 nan 0.000 0.531 251 F N 0.931 120.843 119.950 -0.063 0.000 2.065 251 F HA -0.078 4.444 4.527 -0.009 0.000 0.298 251 F C 2.321 178.109 175.800 -0.021 0.000 1.112 251 F CA 2.098 60.058 58.000 -0.067 0.000 1.212 251 F CB -0.561 38.392 39.000 -0.079 0.000 0.975 251 F HN 0.620 nan 8.300 nan 0.000 0.476 252 D N 0.097 120.612 120.400 0.191 0.000 2.092 252 D HA -0.182 4.453 4.640 -0.009 0.000 0.193 252 D C 1.964 178.326 176.300 0.103 0.000 0.994 252 D CA 1.622 55.695 54.000 0.122 0.000 0.828 252 D CB -0.510 40.349 40.800 0.098 0.000 0.963 252 D HN 0.239 nan 8.370 nan 0.000 0.450 253 D N 0.190 120.668 120.400 0.131 0.000 2.117 253 D HA -0.124 4.511 4.640 -0.009 0.000 0.197 253 D C 2.271 178.688 176.300 0.195 0.000 0.987 253 D CA 0.243 54.362 54.000 0.199 0.000 0.829 253 D CB -0.305 40.669 40.800 0.289 0.000 0.961 253 D HN 0.223 nan 8.370 nan 0.000 0.460 254 L N 0.774 122.072 121.223 0.125 0.000 1.994 254 L HA -0.184 4.150 4.340 -0.009 0.000 0.208 254 L C 2.564 179.427 176.870 -0.012 0.000 1.071 254 L CA 1.284 56.141 54.840 0.028 0.000 0.745 254 L CB -0.035 41.936 42.059 -0.147 0.000 0.892 254 L HN -0.085 nan 8.230 nan 0.000 0.431 255 R N -0.352 120.130 120.500 -0.029 0.000 2.113 255 R HA -0.195 4.139 4.340 -0.009 0.000 0.244 255 R C 2.188 178.492 176.300 0.005 0.000 1.142 255 R CA 1.487 57.584 56.100 -0.006 0.000 0.953 255 R CB -1.015 29.302 30.300 0.028 0.000 0.860 255 R HN 0.579 nan 8.270 nan 0.000 0.438 256 G N 0.430 109.244 108.800 0.024 0.000 2.418 256 G HA2 -0.298 3.656 3.960 -0.009 0.000 0.217 256 G HA3 -0.298 3.656 3.960 -0.009 0.000 0.217 256 G C 1.252 176.125 174.900 -0.046 0.000 1.158 256 G CA 0.446 45.550 45.100 0.006 0.000 0.771 256 G HN 0.296 nan 8.290 nan 0.000 0.545 257 F N 0.964 120.768 119.950 -0.243 0.000 2.216 257 F HA 0.122 4.644 4.527 -0.010 0.000 0.300 257 F C 2.240 177.850 175.800 -0.318 0.000 1.085 257 F CA 0.896 58.635 58.000 -0.435 0.000 1.326 257 F CB 0.024 38.482 39.000 -0.903 0.000 1.027 257 F HN 0.015 nan 8.300 nan 0.000 0.497 258 L N 0.069 121.235 121.223 -0.094 0.000 2.552 258 L HA -0.034 4.300 4.340 -0.009 0.000 0.227 258 L C 0.594 177.380 176.870 -0.140 0.000 1.146 258 L CA 0.253 55.032 54.840 -0.102 0.000 0.858 258 L CB -0.678 41.390 42.059 0.015 0.000 0.969 258 L HN 0.019 nan 8.230 nan 0.000 0.451 259 E N 0.342 120.451 120.200 -0.153 0.000 2.415 259 E HA 0.115 4.459 4.350 -0.009 0.000 0.263 259 E C 1.039 177.538 176.600 -0.168 0.000 0.995 259 E CA 0.701 57.026 56.400 -0.126 0.000 0.915 259 E CB 0.529 30.166 29.700 -0.105 0.000 0.951 259 E HN 0.332 nan 8.360 nan 0.000 0.449 260 G N 2.909 111.635 108.800 -0.124 0.000 2.213 260 G HA2 -0.278 3.677 3.960 -0.009 0.000 0.236 260 G HA3 -0.278 3.677 3.960 -0.009 0.000 0.236 260 G C 0.487 175.311 174.900 -0.127 0.000 0.991 260 G CA 0.333 45.356 45.100 -0.127 0.000 0.629 260 G HN 0.655 nan 8.290 nan 0.000 0.517 261 T N -1.293 113.184 114.554 -0.129 0.000 2.936 261 T HA 0.711 5.055 4.350 -0.009 0.000 0.282 261 T C 1.621 176.280 174.700 -0.068 0.000 1.003 261 T CA -0.220 61.813 62.100 -0.111 0.000 1.005 261 T CB 1.661 70.458 68.868 -0.120 0.000 1.097 261 T HN 0.219 nan 8.240 nan 0.000 0.532 262 L N 0.486 121.674 121.223 -0.058 0.000 2.265 262 L HA 0.070 4.404 4.340 -0.009 0.000 0.215 262 L C 2.692 179.536 176.870 -0.044 0.000 1.117 262 L CA 1.197 56.010 54.840 -0.044 0.000 0.782 262 L CB -0.596 41.442 42.059 -0.036 0.000 0.914 262 L HN 0.920 nan 8.230 nan 0.000 0.441 263 A N -0.695 122.116 122.820 -0.016 0.000 2.307 263 A HA -0.051 4.263 4.320 -0.009 0.000 0.218 263 A C 2.054 179.676 177.584 0.064 0.000 1.228 263 A CA 0.262 52.309 52.037 0.017 0.000 0.857 263 A CB -0.303 18.812 19.000 0.192 0.000 0.897 263 A HN 0.448 nan 8.150 nan 0.000 0.495 264 E N 0.199 120.405 120.200 0.010 0.000 2.077 264 E HA -0.159 4.185 4.350 -0.009 0.000 0.193 264 E C 1.564 178.175 176.600 0.018 0.000 0.989 264 E CA 1.842 58.248 56.400 0.009 0.000 0.800 264 E CB -0.044 29.638 29.700 -0.029 0.000 0.746 264 E HN 0.484 nan 8.360 nan 0.000 0.452 265 S N -0.131 115.562 115.700 -0.012 0.000 2.497 265 S HA 0.160 4.625 4.470 -0.009 0.000 0.221 265 S C 1.797 176.372 174.600 -0.042 0.000 1.037 265 S CA -0.156 58.034 58.200 -0.016 0.000 0.920 265 S CB 0.099 63.284 63.200 -0.024 0.000 0.800 265 S HN 0.224 nan 8.310 nan 0.000 0.505 266 L N 0.106 121.261 121.223 -0.113 0.000 2.131 266 L HA -0.022 4.313 4.340 -0.009 0.000 0.210 266 L C 1.024 177.726 176.870 -0.280 0.000 1.092 266 L CA 1.218 55.915 54.840 -0.239 0.000 0.759 266 L CB -0.381 41.445 42.059 -0.389 0.000 0.903 266 L HN 0.278 nan 8.230 nan 0.000 0.435 267 F N -0.179 119.746 119.950 -0.041 0.000 2.645 267 F HA 0.422 4.943 4.527 -0.009 0.000 0.300 267 F C 0.745 176.526 175.800 -0.032 0.000 1.115 267 F CA -0.354 57.610 58.000 -0.060 0.000 1.355 267 F CB -0.161 38.789 39.000 -0.082 0.000 1.026 267 F HN -0.093 nan 8.300 nan 0.000 0.536 268 A N -1.568 121.322 122.820 0.117 0.000 2.594 268 A HA 0.689 5.003 4.320 -0.009 0.000 0.291 268 A C 0.779 178.389 177.584 0.045 0.000 1.105 268 A CA -0.111 51.977 52.037 0.086 0.000 0.694 268 A CB 0.974 20.019 19.000 0.076 0.000 1.291 268 A HN 0.527 nan 8.150 nan 0.000 0.410 269 G N -0.669 108.155 108.800 0.040 0.000 2.201 269 G HA2 0.227 4.181 3.960 -0.009 0.000 0.212 269 G HA3 0.227 4.181 3.960 -0.009 0.000 0.212 269 G C 0.283 175.194 174.900 0.019 0.000 0.994 269 G CA 0.678 45.791 45.100 0.023 0.000 0.644 269 G HN 2.622 nan 8.290 nan 0.000 0.508 270 S N -1.525 114.190 115.700 0.025 0.000 2.595 270 S HA 0.558 5.022 4.470 -0.009 0.000 0.270 270 S C 0.450 175.064 174.600 0.024 0.000 1.145 270 S CA 0.070 58.281 58.200 0.019 0.000 0.825 270 S CB 0.903 64.112 63.200 0.014 0.000 1.107 270 S HN -0.009 nan 8.310 nan 0.000 0.461 271 N N 0.758 119.468 118.700 0.016 0.000 2.166 271 N HA -0.127 4.608 4.740 -0.009 0.000 0.186 271 N C 1.440 176.963 175.510 0.021 0.000 1.019 271 N CA 1.656 54.714 53.050 0.013 0.000 0.856 271 N CB -0.325 38.166 38.487 0.006 0.000 0.993 271 N HN 0.780 nan 8.380 nan 0.000 0.426 272 E N 1.387 121.600 120.200 0.021 0.000 2.077 272 E HA -0.029 4.316 4.350 -0.009 0.000 0.193 272 E C 1.779 178.382 176.600 0.004 0.000 0.989 272 E CA 1.271 57.684 56.400 0.021 0.000 0.800 272 E CB -0.309 29.407 29.700 0.026 0.000 0.746 272 E HN 0.294 nan 8.360 nan 0.000 0.452 273 A N -0.262 122.566 122.820 0.013 0.000 1.969 273 A HA -0.125 4.189 4.320 -0.009 0.000 0.218 273 A C 2.367 180.012 177.584 0.102 0.000 1.169 273 A CA 1.778 53.831 52.037 0.028 0.000 0.635 273 A CB -0.510 18.513 19.000 0.039 0.000 0.810 273 A HN 0.285 nan 8.150 nan 0.000 0.445 274 S N -0.453 115.307 115.700 0.099 0.000 2.387 274 S HA -0.105 4.360 4.470 -0.009 0.000 0.226 274 S C 1.950 176.633 174.600 0.138 0.000 1.026 274 S CA 1.341 59.640 58.200 0.165 0.000 0.972 274 S CB -0.184 63.075 63.200 0.099 0.000 0.814 274 S HN 0.716 nan 8.310 nan 0.000 0.477 275 K N 1.846 122.279 120.400 0.056 0.000 2.026 275 K HA -0.070 4.245 4.320 -0.009 0.000 0.208 275 K C 2.267 178.867 176.600 -0.000 0.000 1.048 275 K CA 1.233 57.539 56.287 0.032 0.000 0.929 275 K CB -0.429 32.087 32.500 0.028 0.000 0.713 275 K HN 0.267 nan 8.250 nan 0.000 0.439 276 A N 2.149 124.915 122.820 -0.090 0.000 1.892 276 A HA -0.191 4.123 4.320 -0.009 0.000 0.218 276 A C 2.164 179.694 177.584 -0.090 0.000 1.188 276 A CA 1.513 53.331 52.037 -0.365 0.000 0.631 276 A CB -0.814 17.761 19.000 -0.709 0.000 0.822 276 A HN 0.461 nan 8.150 nan 0.000 0.447 277 L N -0.251 120.979 121.223 0.011 0.000 2.083 277 L HA -0.138 4.196 4.340 -0.009 0.000 0.209 277 L C 2.402 179.112 176.870 -0.267 0.000 1.083 277 L CA 2.639 57.255 54.840 -0.373 0.000 0.752 277 L CB -1.351 40.449 42.059 -0.431 0.000 0.899 277 L HN 0.426 nan 8.230 nan 0.000 0.433 278 T N -0.170 114.395 114.554 0.019 0.000 2.708 278 T HA -0.150 4.195 4.350 -0.009 0.000 0.266 278 T C 2.054 176.739 174.700 -0.026 0.000 1.037 278 T CA 1.716 63.850 62.100 0.057 0.000 1.146 278 T CB -0.121 68.841 68.868 0.156 0.000 0.865 278 T HN 0.407 nan 8.240 nan 0.000 0.435 279 S N 1.508 117.231 115.700 0.040 0.000 2.370 279 S HA -0.087 4.378 4.470 -0.009 0.000 0.226 279 S C 2.580 177.258 174.600 0.130 0.000 1.033 279 S CA 1.038 59.274 58.200 0.060 0.000 1.011 279 S CB -0.613 62.603 63.200 0.027 0.000 0.852 279 S HN 0.605 nan 8.310 nan 0.000 0.457 280 A N 2.085 124.959 122.820 0.090 0.000 1.933 280 A HA -0.118 4.196 4.320 -0.009 0.000 0.218 280 A C 2.171 179.699 177.584 -0.093 0.000 1.175 280 A CA 1.082 53.149 52.037 0.051 0.000 0.628 280 A CB -0.382 18.592 19.000 -0.043 0.000 0.814 280 A HN 0.311 nan 8.150 nan 0.000 0.444 281 R N -1.501 118.860 120.500 -0.232 0.000 2.075 281 R HA -0.069 4.265 4.340 -0.009 0.000 0.232 281 R C 1.811 177.967 176.300 -0.240 0.000 1.126 281 R CA 1.302 57.201 56.100 -0.335 0.000 0.963 281 R CB -0.773 29.228 30.300 -0.498 0.000 0.858 281 R HN 0.567 nan 8.270 nan 0.000 0.435 282 F N 0.703 120.589 119.950 -0.107 0.000 2.186 282 F HA -0.142 4.379 4.527 -0.010 0.000 0.299 282 F C 2.537 178.310 175.800 -0.045 0.000 1.090 282 F CA 0.742 58.691 58.000 -0.084 0.000 1.307 282 F CB -0.829 38.103 39.000 -0.114 0.000 1.019 282 F HN -0.264 nan 8.300 nan 0.000 0.489 283 V N -0.290 119.729 119.914 0.175 0.000 2.237 283 V HA -0.287 3.827 4.120 -0.009 0.000 0.245 283 V C 2.385 178.517 176.094 0.063 0.000 1.046 283 V CA 1.462 63.840 62.300 0.130 0.000 1.007 283 V CB -0.819 31.090 31.823 0.142 0.000 0.638 283 V HN 0.159 nan 8.190 nan 0.000 0.445 284 L N 1.224 122.449 121.223 0.004 0.000 2.079 284 L HA -0.166 4.168 4.340 -0.009 0.000 0.210 284 L C 2.716 179.572 176.870 -0.022 0.000 1.081 284 L CA 2.384 57.198 54.840 -0.043 0.000 0.752 284 L CB -1.251 40.741 42.059 -0.113 0.000 0.896 284 L HN 0.595 nan 8.230 nan 0.000 0.433 285 S N -2.092 113.583 115.700 -0.041 0.000 2.447 285 S HA -0.143 4.322 4.470 -0.009 0.000 0.233 285 S C 1.628 176.309 174.600 0.134 0.000 1.006 285 S CA 1.102 59.306 58.200 0.006 0.000 0.957 285 S CB -0.300 62.886 63.200 -0.024 0.000 0.773 285 S HN 0.447 nan 8.310 nan 0.000 0.507 286 D N 1.194 121.659 120.400 0.108 0.000 2.216 286 D HA 0.083 4.717 4.640 -0.009 0.000 0.208 286 D C 1.842 178.200 176.300 0.096 0.000 0.960 286 D CA 0.761 54.824 54.000 0.105 0.000 0.861 286 D CB 0.094 40.947 40.800 0.089 0.000 0.985 286 D HN 0.334 nan 8.370 nan 0.000 0.493 287 K N 0.604 121.051 120.400 0.078 0.000 2.166 287 K HA 0.135 4.449 4.320 -0.009 0.000 0.201 287 K C 2.360 179.032 176.600 0.120 0.000 1.052 287 K CA 0.070 56.395 56.287 0.065 0.000 0.969 287 K CB -0.161 32.336 32.500 -0.005 0.000 0.761 287 K HN 0.190 nan 8.250 nan 0.000 0.459 288 L N 1.148 122.448 121.223 0.128 0.000 2.093 288 L HA -0.078 4.257 4.340 -0.009 0.000 0.208 288 L C -0.697 176.339 176.870 0.277 0.000 1.085 288 L CA 0.868 55.833 54.840 0.209 0.000 0.755 288 L CB -1.756 40.487 42.059 0.308 0.000 0.904 288 L HN 0.025 nan 8.230 nan 0.000 0.435 289 P HA -0.256 nan 4.420 nan 0.000 0.221 289 P C 1.239 178.554 177.300 0.024 0.000 1.160 289 P CA 1.603 64.730 63.100 0.045 0.000 0.933 289 P CB 0.002 31.763 31.700 0.102 0.000 0.793 290 E N -2.306 117.944 120.200 0.084 0.000 2.347 290 E HA -0.144 4.200 4.350 -0.009 0.000 0.196 290 E C 1.889 178.493 176.600 0.006 0.000 1.008 290 E CA 0.993 57.409 56.400 0.028 0.000 0.852 290 E CB -0.799 28.890 29.700 -0.019 0.000 0.783 290 E HN 0.506 nan 8.360 nan 0.000 0.505 291 H N -0.444 118.650 119.070 0.040 0.000 2.395 291 H HA -0.006 4.544 4.556 -0.009 0.000 0.299 291 H C 2.080 177.463 175.328 0.091 0.000 1.070 291 H CA 1.098 57.212 56.048 0.111 0.000 1.356 291 H CB 0.127 29.968 29.762 0.131 0.000 1.401 291 H HN -0.067 nan 8.280 nan 0.000 0.524 292 V N 0.242 120.241 119.914 0.141 0.000 2.307 292 V HA -0.241 3.874 4.120 -0.009 0.000 0.245 292 V C 2.597 178.682 176.094 -0.015 0.000 1.045 292 V CA 2.120 64.434 62.300 0.023 0.000 1.024 292 V CB -0.871 30.837 31.823 -0.192 0.000 0.651 292 V HN 0.682 nan 8.190 nan 0.000 0.449 293 T N -2.819 111.707 114.554 -0.045 0.000 2.915 293 T HA -0.076 4.268 4.350 -0.009 0.000 0.269 293 T C 1.034 175.687 174.700 -0.079 0.000 1.071 293 T CA 0.499 62.552 62.100 -0.078 0.000 1.132 293 T CB -0.311 68.496 68.868 -0.102 0.000 0.878 293 T HN 0.156 nan 8.240 nan 0.000 0.479 294 M N 2.912 122.509 119.600 -0.005 0.000 2.284 294 M HA 0.197 4.671 4.480 -0.009 0.000 0.351 294 M C -2.403 173.949 176.300 0.087 0.000 1.443 294 M CA -1.870 53.474 55.300 0.072 0.000 1.031 294 M CB 0.436 33.173 32.600 0.229 0.000 1.893 294 M HN 0.017 nan 8.290 nan 0.000 0.456 295 P HA -0.030 nan 4.420 nan 0.000 0.261 295 P C -0.802 176.565 177.300 0.112 0.000 1.203 295 P CA 0.043 63.180 63.100 0.061 0.000 0.767 295 P CB 0.106 31.831 31.700 0.042 0.000 0.785 296 D N 2.745 123.198 120.400 0.088 0.000 2.341 296 D HA 0.416 5.051 4.640 -0.009 0.000 0.245 296 D C 0.418 176.773 176.300 0.091 0.000 1.106 296 D CA -0.266 53.790 54.000 0.093 0.000 0.905 296 D CB 1.200 42.033 40.800 0.054 0.000 1.202 296 D HN 0.400 nan 8.370 nan 0.000 0.426 297 G N 0.316 109.181 108.800 0.108 0.000 2.570 297 G HA2 0.190 4.145 3.960 -0.009 0.000 0.310 297 G HA3 0.190 4.145 3.960 -0.009 0.000 0.310 297 G C -0.466 174.502 174.900 0.114 0.000 1.266 297 G CA -0.443 44.725 45.100 0.114 0.000 0.825 297 G HN 0.396 nan 8.290 nan 0.000 0.483 298 D N -0.840 119.642 120.400 0.137 0.000 2.379 298 D HA 0.206 4.840 4.640 -0.009 0.000 0.208 298 D C 0.488 176.884 176.300 0.160 0.000 1.065 298 D CA -0.408 53.657 54.000 0.108 0.000 0.848 298 D CB 0.114 40.959 40.800 0.075 0.000 0.949 298 D HN 0.113 nan 8.370 nan 0.000 0.509 299 F N 1.784 121.813 119.950 0.132 0.000 2.629 299 F HA 0.036 4.557 4.527 -0.009 0.000 0.377 299 F C 0.473 176.429 175.800 0.260 0.000 1.101 299 F CA 0.277 58.380 58.000 0.172 0.000 1.301 299 F CB 0.576 39.665 39.000 0.148 0.000 1.062 299 F HN -0.276 nan 8.300 nan 0.000 0.583 300 S N 7.105 122.413 115.700 -0.653 0.000 2.779 300 S HA 0.380 4.845 4.470 -0.009 0.000 0.293 300 S C 0.883 175.179 174.600 -0.507 0.000 1.150 300 S CA -0.874 57.139 58.200 -0.313 0.000 1.057 300 S CB 0.390 63.495 63.200 -0.158 0.000 1.021 300 S HN 0.696 nan 8.310 nan 0.000 0.485 301 I N 4.318 124.768 120.570 -0.201 0.000 2.248 301 I HA -0.229 3.935 4.170 -0.009 0.000 0.248 301 I C 2.650 178.836 176.117 0.116 0.000 1.107 301 I CA 1.218 62.507 61.300 -0.018 0.000 1.373 301 I CB -0.189 37.864 38.000 0.089 0.000 1.055 301 I HN 0.663 nan 8.210 nan 0.000 0.418 302 R N 0.259 120.799 120.500 0.066 0.000 2.073 302 R HA -0.118 4.217 4.340 -0.009 0.000 0.234 302 R C 2.499 178.829 176.300 0.051 0.000 1.134 302 R CA 1.794 57.941 56.100 0.078 0.000 0.952 302 R CB -0.508 29.808 30.300 0.027 0.000 0.850 302 R HN 0.283 nan 8.270 nan 0.000 0.433 303 S N 0.310 116.002 115.700 -0.013 0.000 2.368 303 S HA -0.170 4.295 4.470 -0.009 0.000 0.224 303 S C 1.384 175.997 174.600 0.022 0.000 1.029 303 S CA 1.002 59.190 58.200 -0.020 0.000 0.988 303 S CB -0.362 62.799 63.200 -0.065 0.000 0.838 303 S HN 0.457 nan 8.310 nan 0.000 0.462 304 W N 2.575 123.759 121.300 -0.193 0.000 2.321 304 W HA -0.176 4.478 4.660 -0.010 0.000 0.306 304 W C 1.644 178.158 176.519 -0.009 0.000 1.217 304 W CA 1.337 58.623 57.345 -0.098 0.000 1.257 304 W CB -0.546 28.860 29.460 -0.089 0.000 1.145 304 W HN 0.210 nan 8.180 nan 0.000 0.509 305 L N 0.018 121.339 121.223 0.164 0.000 2.046 305 L HA -0.205 4.129 4.340 -0.009 0.000 0.208 305 L C 2.271 179.094 176.870 -0.079 0.000 1.077 305 L CA 1.801 56.654 54.840 0.022 0.000 0.747 305 L CB -0.907 41.242 42.059 0.149 0.000 0.896 305 L HN 0.007 nan 8.230 nan 0.000 0.432 306 E N -0.656 119.521 120.200 -0.039 0.000 2.358 306 E HA -0.136 4.209 4.350 -0.009 0.000 0.195 306 E C 0.337 176.890 176.600 -0.079 0.000 1.010 306 E CA 0.139 56.512 56.400 -0.046 0.000 0.856 306 E CB -0.010 29.680 29.700 -0.017 0.000 0.795 306 E HN 0.271 nan 8.360 nan 0.000 0.504 307 D N 0.851 121.178 120.400 -0.122 0.000 2.352 307 D HA 0.032 4.666 4.640 -0.009 0.000 0.245 307 D C -1.853 174.340 176.300 -0.179 0.000 1.224 307 D CA -2.395 51.527 54.000 -0.130 0.000 0.879 307 D CB 1.249 41.975 40.800 -0.124 0.000 1.057 307 D HN -0.200 nan 8.370 nan 0.000 0.491 308 P HA -0.125 nan 4.420 nan 0.000 0.216 308 P C 0.719 177.948 177.300 -0.117 0.000 1.153 308 P CA 0.799 63.833 63.100 -0.111 0.000 0.858 308 P CB 0.201 31.862 31.700 -0.065 0.000 0.789 309 N N -0.809 117.836 118.700 -0.091 0.000 2.327 309 N HA 0.044 4.779 4.740 -0.009 0.000 0.231 309 N C 1.413 176.878 175.510 -0.076 0.000 1.130 309 N CA 0.156 53.169 53.050 -0.062 0.000 0.845 309 N CB -0.248 38.226 38.487 -0.022 0.000 1.073 309 N HN 0.033 nan 8.380 nan 0.000 0.496 310 G N -0.315 108.367 108.800 -0.198 0.000 2.448 310 G HA2 0.171 4.126 3.960 -0.009 0.000 0.218 310 G HA3 0.171 4.126 3.960 -0.009 0.000 0.218 310 G C 0.844 175.682 174.900 -0.104 0.000 1.135 310 G CA 0.650 45.588 45.100 -0.270 0.000 0.784 310 G HN 0.569 nan 8.290 nan 0.000 0.543 311 G N -0.158 108.573 108.800 -0.116 0.000 2.527 311 G HA2 -0.184 3.771 3.960 -0.009 0.000 0.227 311 G HA3 -0.184 3.771 3.960 -0.009 0.000 0.227 311 G C -0.630 174.375 174.900 0.176 0.000 1.291 311 G CA -0.145 45.007 45.100 0.086 0.000 0.904 311 G HN 0.544 nan 8.290 nan 0.000 0.577 312 N N -0.378 118.577 118.700 0.425 0.000 2.404 312 N HA 0.677 5.412 4.740 -0.009 0.000 0.297 312 N C -0.740 175.160 175.510 0.649 0.000 1.163 312 N CA -0.543 52.824 53.050 0.527 0.000 0.864 312 N CB 2.109 40.729 38.487 0.222 0.000 1.247 312 N HN 0.679 nan 8.380 nan 0.000 0.510 313 L N 1.251 122.651 121.223 0.295 0.000 2.341 313 L HA 0.531 4.865 4.340 -0.009 0.000 0.278 313 L C -1.412 175.287 176.870 -0.286 0.000 1.005 313 L CA -0.690 54.026 54.840 -0.208 0.000 0.818 313 L CB 0.659 42.147 42.059 -0.952 0.000 1.259 313 L HN 0.378 nan 8.230 nan 0.000 0.418 314 F N 5.599 125.461 119.950 -0.146 0.000 2.382 314 F HA 0.424 4.946 4.527 -0.008 0.000 0.361 314 F C 0.179 175.909 175.800 -0.117 0.000 1.109 314 F CA -0.449 57.503 58.000 -0.080 0.000 1.031 314 F CB 1.221 40.197 39.000 -0.039 0.000 1.234 314 F HN 0.224 nan 8.300 nan 0.000 0.445 315 I N 3.921 124.531 120.570 0.067 0.000 2.294 315 I HA 0.215 4.379 4.170 -0.009 0.000 0.295 315 I C 0.418 176.743 176.117 0.345 0.000 1.098 315 I CA -0.118 61.247 61.300 0.108 0.000 1.277 315 I CB 0.225 38.330 38.000 0.175 0.000 1.434 315 I HN 0.588 nan 8.210 nan 0.000 0.498 316 T N 2.191 116.936 114.554 0.318 0.000 2.940 316 T HA 0.803 5.147 4.350 -0.009 0.000 0.288 316 T C -0.943 174.048 174.700 0.485 0.000 1.045 316 T CA -0.707 61.568 62.100 0.291 0.000 1.018 316 T CB 2.100 71.043 68.868 0.125 0.000 1.151 316 T HN 0.705 nan 8.240 nan 0.000 0.529 317 W N -0.701 120.623 121.300 0.040 0.000 3.064 317 W HA 0.624 5.279 4.660 -0.009 0.000 0.328 317 W C -1.818 174.615 176.519 -0.143 0.000 1.210 317 W CA -1.269 56.064 57.345 -0.019 0.000 1.178 317 W CB 0.742 30.233 29.460 0.052 0.000 1.416 317 W HN 0.787 nan 8.180 nan 0.000 0.568 318 R N 1.851 122.260 120.500 -0.152 0.000 2.357 318 R HA 0.173 4.508 4.340 -0.009 0.000 0.296 318 R C 1.024 177.286 176.300 -0.064 0.000 1.052 318 R CA -0.428 55.502 56.100 -0.283 0.000 0.988 318 R CB 1.260 31.340 30.300 -0.366 0.000 1.025 318 R HN 0.705 nan 8.270 nan 0.000 0.469 319 E N 1.481 121.595 120.200 -0.144 0.000 2.219 319 E HA -0.227 4.117 4.350 -0.009 0.000 0.198 319 E C 0.854 177.495 176.600 0.068 0.000 0.998 319 E CA 1.471 57.870 56.400 -0.002 0.000 0.818 319 E CB 0.110 29.777 29.700 -0.055 0.000 0.741 319 E HN 0.621 nan 8.360 nan 0.000 0.477 320 D N -0.449 119.957 120.400 0.009 0.000 2.349 320 D HA -0.117 4.517 4.640 -0.009 0.000 0.224 320 D C 1.107 177.418 176.300 0.019 0.000 1.029 320 D CA 0.454 54.459 54.000 0.008 0.000 0.879 320 D CB 0.077 40.862 40.800 -0.025 0.000 0.906 320 D HN 0.236 nan 8.370 nan 0.000 0.528 321 M N -0.098 119.544 119.600 0.070 0.000 2.596 321 M HA 0.284 4.758 4.480 -0.009 0.000 0.364 321 M C 1.600 177.956 176.300 0.095 0.000 1.158 321 M CA -0.284 55.048 55.300 0.054 0.000 0.940 321 M CB 1.764 34.365 32.600 0.002 0.000 1.388 321 M HN -0.002 nan 8.290 nan 0.000 0.522 322 G N 2.660 111.554 108.800 0.155 0.000 2.480 322 G HA2 -0.150 3.805 3.960 -0.009 0.000 0.216 322 G HA3 -0.150 3.805 3.960 -0.009 0.000 0.216 322 G C -0.604 174.266 174.900 -0.049 0.000 1.200 322 G CA 0.776 45.929 45.100 0.088 0.000 0.782 322 G HN 0.298 nan 8.290 nan 0.000 0.554 323 P HA -0.133 nan 4.420 nan 0.000 0.216 323 P C 2.019 179.299 177.300 -0.034 0.000 1.153 323 P CA 2.201 65.290 63.100 -0.019 0.000 0.858 323 P CB -0.218 31.485 31.700 0.005 0.000 0.789 324 A N 0.004 122.810 122.820 -0.023 0.000 1.898 324 A HA -0.081 4.234 4.320 -0.009 0.000 0.216 324 A C 2.322 179.880 177.584 -0.043 0.000 1.181 324 A CA 1.234 53.265 52.037 -0.011 0.000 0.620 324 A CB -1.407 17.601 19.000 0.014 0.000 0.819 324 A HN 0.167 nan 8.150 nan 0.000 0.442 325 L N -1.183 119.977 121.223 -0.105 0.000 2.592 325 L HA 0.103 4.438 4.340 -0.009 0.000 0.227 325 L C 2.352 179.034 176.870 -0.313 0.000 1.127 325 L CA -0.000 54.721 54.840 -0.199 0.000 0.884 325 L CB -0.270 41.658 42.059 -0.219 0.000 1.065 325 L HN 0.442 nan 8.230 nan 0.000 0.457 326 R N 1.356 121.707 120.500 -0.248 0.000 2.096 326 R HA -0.170 4.165 4.340 -0.009 0.000 0.240 326 R C -0.409 175.775 176.300 -0.194 0.000 1.139 326 R CA 1.994 57.955 56.100 -0.233 0.000 0.952 326 R CB -0.972 29.249 30.300 -0.132 0.000 0.854 326 R HN 0.249 nan 8.270 nan 0.000 0.436 327 P HA -0.194 nan 4.420 nan 0.000 0.216 327 P C 1.609 178.824 177.300 -0.143 0.000 1.153 327 P CA 1.266 64.315 63.100 -0.086 0.000 0.848 327 P CB -0.124 31.568 31.700 -0.013 0.000 0.787 328 L N -0.588 120.456 121.223 -0.297 0.000 2.005 328 L HA -0.106 4.229 4.340 -0.009 0.000 0.207 328 L C 2.770 179.134 176.870 -0.843 0.000 1.072 328 L CA 1.436 55.867 54.840 -0.681 0.000 0.744 328 L CB -0.645 40.889 42.059 -0.875 0.000 0.895 328 L HN -0.159 nan 8.230 nan 0.000 0.433 329 I N -0.736 119.491 120.570 -0.571 0.000 2.208 329 I HA -0.331 3.833 4.170 -0.009 0.000 0.245 329 I C 2.558 178.598 176.117 -0.128 0.000 1.097 329 I CA 1.383 62.520 61.300 -0.272 0.000 1.363 329 I CB -0.399 37.367 38.000 -0.390 0.000 1.051 329 I HN 0.202 nan 8.210 nan 0.000 0.413 330 S N 0.765 116.373 115.700 -0.153 0.000 2.383 330 S HA -0.179 4.286 4.470 -0.009 0.000 0.229 330 S C 2.274 176.869 174.600 -0.009 0.000 1.030 330 S CA 1.321 59.491 58.200 -0.051 0.000 1.002 330 S CB -0.415 62.751 63.200 -0.057 0.000 0.829 330 S HN 0.563 nan 8.310 nan 0.000 0.467 331 A N 1.550 124.330 122.820 -0.066 0.000 1.858 331 A HA -0.124 4.190 4.320 -0.009 0.000 0.216 331 A C 1.912 179.561 177.584 0.108 0.000 1.190 331 A CA 1.361 53.416 52.037 0.030 0.000 0.617 331 A CB -0.952 18.080 19.000 0.053 0.000 0.827 331 A HN 0.619 nan 8.150 nan 0.000 0.443 332 W N 0.085 121.345 121.300 -0.068 0.000 2.335 332 W HA -0.124 4.529 4.660 -0.010 0.000 0.311 332 W C 2.375 178.865 176.519 -0.048 0.000 1.213 332 W CA 1.200 58.443 57.345 -0.170 0.000 1.274 332 W CB -1.455 27.828 29.460 -0.294 0.000 1.148 332 W HN 0.195 nan 8.180 nan 0.000 0.498 333 V N 0.461 120.505 119.914 0.217 0.000 2.287 333 V HA -0.315 3.800 4.120 -0.009 0.000 0.248 333 V C 1.848 178.028 176.094 0.143 0.000 1.053 333 V CA 2.496 64.891 62.300 0.158 0.000 1.027 333 V CB -1.131 30.770 31.823 0.130 0.000 0.646 333 V HN 0.003 nan 8.190 nan 0.000 0.447 334 D N -0.462 120.018 120.400 0.134 0.000 2.178 334 D HA -0.124 4.510 4.640 -0.009 0.000 0.202 334 D C 2.002 178.395 176.300 0.155 0.000 0.974 334 D CA 0.912 54.982 54.000 0.117 0.000 0.841 334 D CB -0.001 40.852 40.800 0.088 0.000 0.953 334 D HN 0.204 nan 8.370 nan 0.000 0.478 335 V N -0.281 119.778 119.914 0.241 0.000 2.332 335 V HA -0.227 3.887 4.120 -0.009 0.000 0.248 335 V C 2.466 178.730 176.094 0.282 0.000 1.055 335 V CA 1.190 63.705 62.300 0.360 0.000 1.038 335 V CB -0.342 31.744 31.823 0.438 0.000 0.651 335 V HN 0.161 nan 8.190 nan 0.000 0.450 336 V N -1.042 118.997 119.914 0.208 0.000 2.343 336 V HA -0.282 3.832 4.120 -0.009 0.000 0.247 336 V C 2.493 178.674 176.094 0.144 0.000 1.051 336 V CA 2.192 64.600 62.300 0.180 0.000 1.036 336 V CB -0.734 31.182 31.823 0.156 0.000 0.654 336 V HN 0.663 nan 8.190 nan 0.000 0.451 337 C N 0.392 119.760 119.300 0.114 0.000 2.422 337 C HA -0.126 4.329 4.460 -0.009 0.000 0.279 337 C C 2.877 177.900 174.990 0.054 0.000 1.305 337 C CA 1.639 60.697 59.018 0.067 0.000 1.757 337 C CB -1.330 26.439 27.740 0.048 0.000 1.962 337 C HN 0.752 nan 8.230 nan 0.000 0.499 338 T N -0.729 113.863 114.554 0.063 0.000 2.901 338 T HA -0.052 4.293 4.350 -0.009 0.000 0.252 338 T C 1.899 176.659 174.700 0.101 0.000 1.035 338 T CA 1.305 63.423 62.100 0.029 0.000 1.142 338 T CB -0.504 68.307 68.868 -0.096 0.000 0.869 338 T HN 0.442 nan 8.240 nan 0.000 0.442 339 S N 2.680 118.493 115.700 0.187 0.000 2.372 339 S HA -0.117 4.347 4.470 -0.009 0.000 0.227 339 S C 2.150 176.841 174.600 0.152 0.000 1.044 339 S CA 1.504 59.841 58.200 0.228 0.000 1.050 339 S CB -0.654 62.708 63.200 0.270 0.000 0.901 339 S HN 0.686 nan 8.310 nan 0.000 0.447 340 I N -0.164 120.478 120.570 0.120 0.000 3.010 340 I HA -0.016 4.149 4.170 -0.009 0.000 0.271 340 I C 1.198 177.350 176.117 0.059 0.000 1.293 340 I CA 1.294 62.644 61.300 0.083 0.000 1.452 340 I CB -1.093 36.947 38.000 0.066 0.000 1.082 340 I HN 0.163 nan 8.210 nan 0.000 0.484 341 L N 0.819 122.080 121.223 0.064 0.000 2.558 341 L HA 0.122 4.456 4.340 -0.009 0.000 0.225 341 L C 2.218 179.123 176.870 0.059 0.000 1.128 341 L CA 0.798 55.664 54.840 0.044 0.000 0.868 341 L CB -0.384 41.693 42.059 0.030 0.000 1.006 341 L HN 0.138 nan 8.230 nan 0.000 0.454 342 S N -1.248 114.505 115.700 0.089 0.000 2.502 342 S HA 0.261 4.725 4.470 -0.009 0.000 0.215 342 S C 0.798 175.442 174.600 0.073 0.000 1.009 342 S CA -0.320 57.942 58.200 0.103 0.000 0.908 342 S CB 0.127 63.417 63.200 0.150 0.000 0.801 342 S HN 0.126 nan 8.310 nan 0.000 0.505 343 L N 4.308 125.566 121.223 0.059 0.000 2.499 343 L HA 0.160 4.494 4.340 -0.009 0.000 0.273 343 L C -1.955 174.929 176.870 0.023 0.000 1.195 343 L CA -1.286 53.577 54.840 0.038 0.000 0.882 343 L CB -0.231 41.845 42.059 0.029 0.000 1.133 343 L HN 0.075 nan 8.230 nan 0.000 0.483 344 P HA -0.017 nan 4.420 nan 0.000 0.268 344 P C -0.394 176.905 177.300 -0.000 0.000 1.204 344 P CA -0.291 62.815 63.100 0.009 0.000 0.768 344 P CB 0.623 32.327 31.700 0.007 0.000 0.842 345 E N 1.952 122.150 120.200 -0.003 0.000 2.585 345 E HA -0.098 4.246 4.350 -0.009 0.000 0.252 345 E C -0.538 176.053 176.600 -0.015 0.000 0.981 345 E CA 0.375 56.768 56.400 -0.011 0.000 0.943 345 E CB 0.224 29.917 29.700 -0.013 0.000 0.923 345 E HN 0.309 nan 8.360 nan 0.000 0.486 346 E N 5.674 125.861 120.200 -0.020 0.000 2.460 346 E HA 0.267 4.611 4.350 -0.009 0.000 0.249 346 E C -2.374 174.209 176.600 -0.029 0.000 0.962 346 E CA -2.029 54.357 56.400 -0.023 0.000 0.787 346 E CB 1.439 31.124 29.700 -0.024 0.000 1.341 346 E HN 0.292 nan 8.360 nan 0.000 0.407 347 P HA -0.162 nan 4.420 nan 0.000 0.221 347 P C 0.661 177.941 177.300 -0.033 0.000 1.145 347 P CA 0.925 64.006 63.100 -0.032 0.000 0.795 347 P CB 0.355 32.039 31.700 -0.027 0.000 0.775 348 K N -0.822 119.561 120.400 -0.028 0.000 2.228 348 K HA -0.015 4.299 4.320 -0.009 0.000 0.202 348 K C 1.168 177.751 176.600 -0.028 0.000 1.051 348 K CA 0.280 56.552 56.287 -0.025 0.000 0.960 348 K CB -0.251 32.237 32.500 -0.020 0.000 0.743 348 K HN 0.204 nan 8.250 nan 0.000 0.458 349 R N 1.712 122.191 120.500 -0.036 0.000 2.537 349 R HA 0.057 4.392 4.340 -0.009 0.000 0.280 349 R C -0.580 175.687 176.300 -0.056 0.000 1.058 349 R CA 0.257 56.333 56.100 -0.041 0.000 1.057 349 R CB 0.431 30.705 30.300 -0.043 0.000 0.973 349 R HN -0.038 nan 8.270 nan 0.000 0.438 350 R N 5.008 125.480 120.500 -0.048 0.000 2.521 350 R HA 0.296 4.630 4.340 -0.009 0.000 0.295 350 R C -1.249 175.015 176.300 -0.059 0.000 1.183 350 R CA -0.703 55.345 56.100 -0.087 0.000 0.957 350 R CB 1.429 31.711 30.300 -0.030 0.000 1.171 350 R HN 0.378 nan 8.270 nan 0.000 0.494 351 L N 3.577 124.729 121.223 -0.119 0.000 2.313 351 L HA 0.523 4.857 4.340 -0.009 0.000 0.283 351 L C -1.275 175.538 176.870 -0.093 0.000 1.013 351 L CA -0.559 54.274 54.840 -0.011 0.000 0.816 351 L CB 1.132 43.207 42.059 0.026 0.000 1.236 351 L HN 0.630 nan 8.230 nan 0.000 0.419 352 W N 5.676 127.041 121.300 0.108 0.000 2.433 352 W HA 0.488 5.145 4.660 -0.007 0.000 0.315 352 W C -0.274 176.322 176.519 0.129 0.000 1.087 352 W CA -0.341 57.056 57.345 0.088 0.000 1.205 352 W CB 1.405 30.998 29.460 0.222 0.000 1.288 352 W HN 0.278 nan 8.180 nan 0.000 0.504 353 L N 4.552 125.905 121.223 0.217 0.000 2.295 353 L HA 0.453 4.787 4.340 -0.009 0.000 0.281 353 L C -1.367 175.586 176.870 0.139 0.000 1.018 353 L CA -0.801 54.162 54.840 0.205 0.000 0.841 353 L CB 0.273 42.405 42.059 0.121 0.000 1.218 353 L HN 0.300 nan 8.230 nan 0.000 0.424 354 F N 5.822 125.876 119.950 0.173 0.000 2.334 354 F HA 0.360 4.883 4.527 -0.007 0.000 0.365 354 F C 0.465 176.341 175.800 0.126 0.000 1.124 354 F CA -0.291 57.792 58.000 0.140 0.000 1.166 354 F CB 0.634 39.669 39.000 0.059 0.000 1.355 354 F HN 0.261 nan 8.300 nan 0.000 0.532 355 I N 3.560 124.275 120.570 0.241 0.000 2.291 355 I HA 0.049 4.213 4.170 -0.009 0.000 0.292 355 I C 1.100 177.337 176.117 0.200 0.000 1.064 355 I CA -0.290 61.137 61.300 0.212 0.000 1.269 355 I CB 0.834 38.938 38.000 0.172 0.000 1.418 355 I HN 0.518 nan 8.210 nan 0.000 0.485 356 D N 5.506 126.043 120.400 0.228 0.000 2.327 356 D HA -0.275 4.359 4.640 -0.009 0.000 0.205 356 D C 0.626 177.011 176.300 0.141 0.000 1.036 356 D CA 1.887 56.001 54.000 0.191 0.000 0.897 356 D CB 0.322 41.256 40.800 0.223 0.000 1.117 356 D HN 0.450 nan 8.370 nan 0.000 0.471 357 E N -0.927 119.366 120.200 0.154 0.000 2.183 357 E HA 0.219 4.564 4.350 -0.009 0.000 0.250 357 E C 0.437 177.100 176.600 0.105 0.000 0.901 357 E CA -0.380 56.084 56.400 0.105 0.000 0.741 357 E CB 0.798 30.564 29.700 0.110 0.000 1.182 357 E HN 0.271 nan 8.360 nan 0.000 0.425 358 L N 3.922 125.187 121.223 0.070 0.000 2.064 358 L HA -0.191 4.143 4.340 -0.009 0.000 0.216 358 L C 1.666 178.606 176.870 0.117 0.000 1.077 358 L CA 2.714 57.603 54.840 0.082 0.000 0.766 358 L CB -0.479 41.588 42.059 0.013 0.000 0.890 358 L HN 0.600 nan 8.230 nan 0.000 0.435 359 A N -2.434 120.440 122.820 0.091 0.000 2.239 359 A HA 0.016 4.330 4.320 -0.009 0.000 0.209 359 A C 2.188 179.835 177.584 0.107 0.000 1.171 359 A CA 1.180 53.288 52.037 0.119 0.000 0.768 359 A CB -0.498 18.549 19.000 0.078 0.000 0.790 359 A HN 0.505 nan 8.150 nan 0.000 0.478 360 S N -0.710 115.051 115.700 0.101 0.000 2.517 360 S HA 0.311 4.775 4.470 -0.009 0.000 0.214 360 S C 0.602 175.232 174.600 0.051 0.000 0.991 360 S CA -0.198 58.053 58.200 0.084 0.000 0.906 360 S CB -0.102 63.170 63.200 0.120 0.000 0.789 360 S HN 0.490 nan 8.310 nan 0.000 0.513 361 L N 1.519 122.784 121.223 0.069 0.000 2.416 361 L HA 0.365 4.699 4.340 -0.009 0.000 0.262 361 L C 0.952 177.839 176.870 0.029 0.000 1.093 361 L CA -0.664 54.195 54.840 0.032 0.000 0.801 361 L CB 0.526 42.628 42.059 0.071 0.000 1.191 361 L HN 0.130 nan 8.230 nan 0.000 0.459 362 E N 0.541 120.727 120.200 -0.022 0.000 2.766 362 E HA -0.017 4.327 4.350 -0.009 0.000 0.261 362 E C -0.277 176.235 176.600 -0.147 0.000 1.427 362 E CA -0.265 56.092 56.400 -0.071 0.000 1.085 362 E CB 0.394 30.048 29.700 -0.076 0.000 1.074 362 E HN 0.293 nan 8.360 nan 0.000 0.651 363 K N 1.890 122.109 120.400 -0.301 0.000 2.228 363 K HA 0.110 4.424 4.320 -0.009 0.000 0.284 363 K C -0.467 175.938 176.600 -0.325 0.000 1.088 363 K CA -0.128 55.766 56.287 -0.656 0.000 0.941 363 K CB -0.450 31.681 32.500 -0.615 0.000 1.158 363 K HN 0.280 nan 8.250 nan 0.000 0.438 364 L N 3.788 124.944 121.223 -0.111 0.000 2.455 364 L HA 0.026 4.360 4.340 -0.009 0.000 0.272 364 L C 1.398 178.298 176.870 0.050 0.000 1.174 364 L CA -0.319 54.548 54.840 0.045 0.000 0.869 364 L CB 0.895 43.048 42.059 0.156 0.000 1.130 364 L HN 0.746 nan 8.230 nan 0.000 0.474 365 A N 2.177 125.004 122.820 0.012 0.000 2.072 365 A HA -0.022 4.293 4.320 -0.009 0.000 0.216 365 A C 1.958 179.551 177.584 0.015 0.000 1.156 365 A CA 1.023 53.062 52.037 0.003 0.000 0.701 365 A CB -0.015 18.973 19.000 -0.021 0.000 0.816 365 A HN 0.763 nan 8.150 nan 0.000 0.458 366 S N -0.830 114.884 115.700 0.022 0.000 2.512 366 S HA 0.209 4.673 4.470 -0.009 0.000 0.216 366 S C 1.550 176.158 174.600 0.014 0.000 1.006 366 S CA -0.143 58.063 58.200 0.009 0.000 0.915 366 S CB -0.088 63.112 63.200 -0.000 0.000 0.824 366 S HN 0.473 nan 8.310 nan 0.000 0.497 367 L N 2.057 123.306 121.223 0.043 0.000 1.978 367 L HA -0.283 4.052 4.340 -0.009 0.000 0.218 367 L C 2.700 179.544 176.870 -0.043 0.000 1.075 367 L CA 1.976 56.828 54.840 0.020 0.000 0.767 367 L CB -0.740 41.373 42.059 0.091 0.000 0.890 367 L HN 0.410 nan 8.230 nan 0.000 0.434 368 A N -0.367 122.446 122.820 -0.010 0.000 1.903 368 A HA -0.307 4.007 4.320 -0.009 0.000 0.219 368 A C 1.884 179.429 177.584 -0.065 0.000 1.191 368 A CA 2.314 54.324 52.037 -0.046 0.000 0.638 368 A CB -0.821 18.178 19.000 -0.001 0.000 0.823 368 A HN 0.600 nan 8.150 nan 0.000 0.451 369 D N -0.249 120.126 120.400 -0.041 0.000 2.144 369 D HA -0.020 4.615 4.640 -0.009 0.000 0.200 369 D C 2.232 178.502 176.300 -0.051 0.000 0.978 369 D CA 1.327 55.303 54.000 -0.040 0.000 0.833 369 D CB -0.323 40.460 40.800 -0.028 0.000 0.961 369 D HN 0.472 nan 8.370 nan 0.000 0.470 370 A N 1.078 123.862 122.820 -0.061 0.000 1.933 370 A HA -0.103 4.211 4.320 -0.009 0.000 0.218 370 A C 2.323 179.837 177.584 -0.116 0.000 1.175 370 A CA 0.775 52.772 52.037 -0.067 0.000 0.628 370 A CB -0.697 18.266 19.000 -0.062 0.000 0.814 370 A HN 0.184 nan 8.150 nan 0.000 0.444 371 L N -1.068 120.021 121.223 -0.222 0.000 2.376 371 L HA -0.053 4.281 4.340 -0.009 0.000 0.219 371 L C 2.100 178.931 176.870 -0.066 0.000 1.133 371 L CA 1.287 55.907 54.840 -0.367 0.000 0.816 371 L CB -0.180 41.541 42.059 -0.564 0.000 0.933 371 L HN 0.335 nan 8.230 nan 0.000 0.449 372 T N -1.540 112.981 114.554 -0.056 0.000 2.978 372 T HA 0.067 4.411 4.350 -0.009 0.000 0.248 372 T C 1.355 176.045 174.700 -0.018 0.000 1.018 372 T CA 0.381 62.464 62.100 -0.028 0.000 1.026 372 T CB 0.424 69.268 68.868 -0.041 0.000 1.032 372 T HN 0.216 nan 8.240 nan 0.000 0.485 373 K N 0.580 120.969 120.400 -0.018 0.000 2.447 373 K HA 0.318 4.633 4.320 -0.009 0.000 0.205 373 K C 1.553 178.145 176.600 -0.014 0.000 1.059 373 K CA -0.119 56.157 56.287 -0.018 0.000 1.065 373 K CB 0.933 33.420 32.500 -0.021 0.000 0.885 373 K HN 0.131 nan 8.250 nan 0.000 0.545 374 G N 1.115 109.914 108.800 -0.002 0.000 3.088 374 G HA2 -0.098 3.857 3.960 -0.009 0.000 0.212 374 G HA3 -0.098 3.857 3.960 -0.009 0.000 0.212 374 G C 1.180 176.061 174.900 -0.031 0.000 1.173 374 G CA -0.198 44.900 45.100 -0.004 0.000 0.779 374 G HN 0.073 nan 8.290 nan 0.000 0.540 375 R N 0.785 121.257 120.500 -0.047 0.000 2.070 375 R HA -0.073 4.261 4.340 -0.009 0.000 0.233 375 R C 2.168 178.427 176.300 -0.069 0.000 1.137 375 R CA 1.122 57.173 56.100 -0.081 0.000 0.945 375 R CB -0.048 30.204 30.300 -0.080 0.000 0.845 375 R HN 0.088 nan 8.270 nan 0.000 0.430 376 K N 0.155 120.527 120.400 -0.048 0.000 2.103 376 K HA -0.117 4.198 4.320 -0.009 0.000 0.207 376 K C 1.873 178.451 176.600 -0.037 0.000 1.048 376 K CA 1.475 57.738 56.287 -0.039 0.000 0.930 376 K CB -0.425 32.059 32.500 -0.027 0.000 0.716 376 K HN 0.241 nan 8.250 nan 0.000 0.444 377 A N 0.269 123.069 122.820 -0.033 0.000 2.167 377 A HA 0.196 4.510 4.320 -0.009 0.000 0.214 377 A C 1.314 178.869 177.584 -0.048 0.000 1.151 377 A CA 1.110 53.131 52.037 -0.027 0.000 0.735 377 A CB -0.342 18.653 19.000 -0.008 0.000 0.802 377 A HN 0.399 nan 8.150 nan 0.000 0.467 378 G N -1.055 107.700 108.800 -0.074 0.000 2.212 378 G HA2 -0.184 3.771 3.960 -0.009 0.000 0.255 378 G HA3 -0.184 3.771 3.960 -0.009 0.000 0.255 378 G C -0.039 174.767 174.900 -0.156 0.000 1.062 378 G CA 0.253 45.283 45.100 -0.117 0.000 0.815 378 G HN 0.617 nan 8.290 nan 0.000 0.497 379 L N -0.234 120.917 121.223 -0.120 0.000 2.326 379 L HA 0.715 5.050 4.340 -0.009 0.000 0.278 379 L C 0.509 177.277 176.870 -0.170 0.000 1.092 379 L CA -0.700 54.076 54.840 -0.106 0.000 0.810 379 L CB 0.611 42.664 42.059 -0.010 0.000 1.153 379 L HN 0.310 nan 8.230 nan 0.000 0.439 380 R N 3.858 124.185 120.500 -0.288 0.000 2.483 380 R HA 0.533 4.867 4.340 -0.009 0.000 0.303 380 R C -1.423 174.817 176.300 -0.101 0.000 0.987 380 R CA -0.645 55.198 56.100 -0.429 0.000 0.881 380 R CB 2.232 31.681 30.300 -1.418 0.000 1.177 380 R HN 0.335 nan 8.270 nan 0.000 0.451 381 V N 3.415 123.497 119.914 0.280 0.000 2.513 381 V HA 0.501 4.616 4.120 -0.009 0.000 0.299 381 V C -0.316 175.942 176.094 0.273 0.000 1.035 381 V CA -0.842 61.542 62.300 0.140 0.000 0.889 381 V CB 2.121 33.882 31.823 -0.105 0.000 0.988 381 V HN 0.435 nan 8.190 nan 0.000 0.440 382 V N 3.454 123.438 119.914 0.116 0.000 2.409 382 V HA 0.838 4.952 4.120 -0.009 0.000 0.290 382 V C 0.128 176.265 176.094 0.071 0.000 1.017 382 V CA -0.389 61.954 62.300 0.072 0.000 0.841 382 V CB 1.341 33.029 31.823 -0.226 0.000 1.003 382 V HN 1.035 nan 8.190 nan 0.000 0.426 383 A N 3.409 126.224 122.820 -0.008 0.000 2.374 383 A HA 0.974 5.288 4.320 -0.009 0.000 0.317 383 A C 0.110 177.596 177.584 -0.163 0.000 1.094 383 A CA -0.287 51.693 52.037 -0.095 0.000 0.765 383 A CB 1.887 20.770 19.000 -0.195 0.000 1.268 383 A HN 1.042 nan 8.150 nan 0.000 0.438 384 G N 0.097 108.855 108.800 -0.070 0.000 2.416 384 G HA2 0.598 4.553 3.960 -0.009 0.000 0.329 384 G HA3 0.598 4.553 3.960 -0.009 0.000 0.329 384 G C -1.343 173.516 174.900 -0.069 0.000 1.173 384 G CA -0.267 44.798 45.100 -0.058 0.000 0.929 384 G HN 0.507 nan 8.290 nan 0.000 0.475 385 L N 0.211 121.386 121.223 -0.079 0.000 2.376 385 L HA 0.528 4.863 4.340 -0.009 0.000 0.258 385 L C 0.733 177.582 176.870 -0.034 0.000 1.013 385 L CA -0.540 54.262 54.840 -0.063 0.000 0.822 385 L CB 2.287 44.283 42.059 -0.106 0.000 1.388 385 L HN 0.731 nan 8.230 nan 0.000 0.413 386 Q N -0.567 119.223 119.800 -0.017 0.000 2.341 386 Q HA 0.392 4.727 4.340 -0.009 0.000 0.173 386 Q C -0.451 175.544 176.000 -0.008 0.000 0.659 386 Q CA -0.338 55.461 55.803 -0.007 0.000 0.776 386 Q CB 0.366 29.107 28.738 0.006 0.000 1.108 386 Q HN 0.616 nan 8.270 nan 0.000 0.538 387 S N 0.824 116.523 115.700 -0.001 0.000 2.554 387 S HA 0.160 4.625 4.470 -0.009 0.000 0.278 387 S C 0.669 175.267 174.600 -0.004 0.000 1.242 387 S CA -0.408 57.792 58.200 -0.001 0.000 1.051 387 S CB 1.559 64.762 63.200 0.005 0.000 0.986 387 S HN 0.248 nan 8.310 nan 0.000 0.502 388 T N 2.965 117.514 114.554 -0.007 0.000 2.665 388 T HA -0.173 4.171 4.350 -0.009 0.000 0.268 388 T C 2.276 176.977 174.700 0.003 0.000 1.035 388 T CA 2.066 64.162 62.100 -0.008 0.000 1.151 388 T CB -0.523 68.340 68.868 -0.008 0.000 0.862 388 T HN 0.824 nan 8.240 nan 0.000 0.438 389 S N 1.319 117.024 115.700 0.007 0.000 2.419 389 S HA -0.233 4.232 4.470 -0.009 0.000 0.235 389 S C 2.043 176.658 174.600 0.025 0.000 1.019 389 S CA 1.317 59.526 58.200 0.015 0.000 0.982 389 S CB -0.557 62.651 63.200 0.012 0.000 0.789 389 S HN 0.569 nan 8.310 nan 0.000 0.490 390 Q N 0.259 120.074 119.800 0.025 0.000 2.020 390 Q HA -0.085 4.250 4.340 -0.009 0.000 0.202 390 Q C 2.181 178.218 176.000 0.061 0.000 0.982 390 Q CA 1.597 57.422 55.803 0.037 0.000 0.838 390 Q CB -0.228 28.529 28.738 0.031 0.000 0.899 390 Q HN 0.544 nan 8.270 nan 0.000 0.423 391 L N 0.927 122.181 121.223 0.052 0.000 2.156 391 L HA -0.122 4.212 4.340 -0.009 0.000 0.208 391 L C 1.363 178.306 176.870 0.122 0.000 1.095 391 L CA 1.721 56.612 54.840 0.085 0.000 0.770 391 L CB -0.273 41.777 42.059 -0.017 0.000 0.914 391 L HN 0.181 nan 8.230 nan 0.000 0.439 392 D N -0.775 119.666 120.400 0.068 0.000 2.178 392 D HA -0.205 4.430 4.640 -0.009 0.000 0.201 392 D C 1.746 178.089 176.300 0.073 0.000 0.980 392 D CA 1.329 55.368 54.000 0.066 0.000 0.842 392 D CB -0.006 40.815 40.800 0.034 0.000 0.948 392 D HN 0.414 nan 8.370 nan 0.000 0.472 393 D N -0.916 119.524 120.400 0.066 0.000 2.213 393 D HA -0.051 4.583 4.640 -0.009 0.000 0.205 393 D C 1.902 178.233 176.300 0.052 0.000 0.961 393 D CA 0.353 54.382 54.000 0.047 0.000 0.853 393 D CB 0.336 41.157 40.800 0.034 0.000 0.967 393 D HN -0.050 nan 8.370 nan 0.000 0.496 394 V N -0.117 119.857 119.914 0.100 0.000 2.255 394 V HA -0.202 3.913 4.120 -0.009 0.000 0.243 394 V C 1.668 177.763 176.094 0.001 0.000 1.038 394 V CA 1.477 63.821 62.300 0.073 0.000 1.008 394 V CB -0.613 31.324 31.823 0.191 0.000 0.645 394 V HN 0.254 nan 8.190 nan 0.000 0.449 395 Y N 0.348 120.647 120.300 -0.001 0.000 2.503 395 Y HA 0.502 5.045 4.550 -0.011 0.000 0.278 395 Y C 1.297 177.191 175.900 -0.010 0.000 1.111 395 Y CA 0.372 58.470 58.100 -0.004 0.000 1.270 395 Y CB -0.118 38.346 38.460 0.006 0.000 1.063 395 Y HN 0.391 nan 8.280 nan 0.000 0.548 396 G N -0.694 108.188 108.800 0.136 0.000 2.650 396 G HA2 -0.160 3.795 3.960 -0.009 0.000 0.686 396 G HA3 -0.160 3.795 3.960 -0.009 0.000 0.686 396 G C 0.410 175.352 174.900 0.070 0.000 1.205 396 G CA -0.521 44.621 45.100 0.069 0.000 0.781 396 G HN -0.057 nan 8.290 nan 0.000 0.648 397 V N 1.805 121.743 119.914 0.040 0.000 2.250 397 V HA -0.236 3.879 4.120 -0.009 0.000 0.250 397 V C 3.049 179.160 176.094 0.028 0.000 1.060 397 V CA 2.816 65.133 62.300 0.029 0.000 1.030 397 V CB -0.470 31.362 31.823 0.016 0.000 0.643 397 V HN 0.767 nan 8.190 nan 0.000 0.445 398 K N -0.046 120.370 120.400 0.027 0.000 2.002 398 K HA -0.166 4.148 4.320 -0.009 0.000 0.209 398 K C 2.063 178.683 176.600 0.033 0.000 1.048 398 K CA 1.760 58.061 56.287 0.023 0.000 0.930 398 K CB -0.527 31.983 32.500 0.016 0.000 0.714 398 K HN 0.618 nan 8.250 nan 0.000 0.438 399 E N 0.525 120.761 120.200 0.059 0.000 2.150 399 E HA -0.103 4.241 4.350 -0.009 0.000 0.193 399 E C 1.966 178.602 176.600 0.059 0.000 0.985 399 E CA 0.853 57.305 56.400 0.087 0.000 0.814 399 E CB -0.079 29.718 29.700 0.162 0.000 0.752 399 E HN 0.283 nan 8.360 nan 0.000 0.466 400 A N 1.400 124.254 122.820 0.057 0.000 1.930 400 A HA -0.253 4.061 4.320 -0.009 0.000 0.217 400 A C 2.147 179.709 177.584 -0.036 0.000 1.175 400 A CA 1.449 53.469 52.037 -0.028 0.000 0.627 400 A CB -0.424 18.589 19.000 0.021 0.000 0.815 400 A HN 0.208 nan 8.150 nan 0.000 0.443 401 Q N -0.745 119.054 119.800 -0.003 0.000 2.050 401 Q HA -0.156 4.178 4.340 -0.009 0.000 0.202 401 Q C 2.009 178.011 176.000 0.003 0.000 0.980 401 Q CA 2.068 57.871 55.803 0.001 0.000 0.840 401 Q CB -0.277 28.465 28.738 0.006 0.000 0.898 401 Q HN 0.575 nan 8.270 nan 0.000 0.424 402 T N 1.508 116.063 114.554 0.001 0.000 2.788 402 T HA -0.152 4.193 4.350 -0.009 0.000 0.268 402 T C 1.721 176.416 174.700 -0.009 0.000 1.044 402 T CA 1.086 63.186 62.100 -0.000 0.000 1.139 402 T CB -0.219 68.651 68.868 0.003 0.000 0.867 402 T HN 0.164 nan 8.240 nan 0.000 0.454 403 L N 1.127 122.331 121.223 -0.033 0.000 1.994 403 L HA 0.002 4.336 4.340 -0.009 0.000 0.208 403 L C 2.564 179.488 176.870 0.090 0.000 1.071 403 L CA 1.730 56.541 54.840 -0.048 0.000 0.745 403 L CB -0.415 41.513 42.059 -0.220 0.000 0.892 403 L HN 0.076 nan 8.230 nan 0.000 0.431 404 R N -0.875 119.674 120.500 0.081 0.000 2.096 404 R HA -0.108 4.227 4.340 -0.009 0.000 0.235 404 R C 2.074 178.491 176.300 0.194 0.000 1.127 404 R CA 1.187 57.385 56.100 0.164 0.000 0.968 404 R CB -0.632 29.688 30.300 0.033 0.000 0.861 404 R HN 0.471 nan 8.270 nan 0.000 0.440 405 A N 0.325 123.202 122.820 0.094 0.000 2.178 405 A HA -0.072 4.243 4.320 -0.009 0.000 0.218 405 A C 1.796 179.418 177.584 0.064 0.000 1.157 405 A CA 1.205 53.284 52.037 0.070 0.000 0.689 405 A CB -0.108 18.912 19.000 0.033 0.000 0.787 405 A HN 0.168 nan 8.150 nan 0.000 0.465 406 S N -1.191 114.535 115.700 0.045 0.000 2.593 406 S HA 0.261 4.726 4.470 -0.009 0.000 0.217 406 S C -0.268 174.253 174.600 -0.133 0.000 0.966 406 S CA -0.122 58.031 58.200 -0.077 0.000 0.914 406 S CB -0.214 62.862 63.200 -0.207 0.000 0.776 406 S HN 0.463 nan 8.310 nan 0.000 0.523 407 F N 2.119 122.099 119.950 0.050 0.000 2.332 407 F HA 0.419 4.942 4.527 -0.007 0.000 0.368 407 F C 1.287 177.128 175.800 0.068 0.000 1.110 407 F CA -0.881 57.172 58.000 0.089 0.000 1.087 407 F CB 0.881 39.911 39.000 0.050 0.000 1.235 407 F HN -0.181 nan 8.300 nan 0.000 0.470 408 R N 0.549 121.166 120.500 0.195 0.000 2.189 408 R HA 0.081 4.416 4.340 -0.009 0.000 0.218 408 R C 0.169 176.559 176.300 0.150 0.000 1.074 408 R CA 0.308 56.487 56.100 0.132 0.000 0.991 408 R CB -0.118 30.225 30.300 0.072 0.000 0.883 408 R HN 0.356 nan 8.270 nan 0.000 0.457 409 S N 0.852 116.669 115.700 0.194 0.000 2.501 409 S HA 0.514 4.979 4.470 -0.009 0.000 0.301 409 S C -0.792 173.875 174.600 0.112 0.000 1.096 409 S CA -0.681 57.624 58.200 0.175 0.000 1.063 409 S CB 1.886 65.252 63.200 0.278 0.000 1.042 409 S HN 0.061 nan 8.310 nan 0.000 0.494 410 L N 3.364 124.601 121.223 0.023 0.000 2.401 410 L HA 0.794 5.129 4.340 -0.009 0.000 0.266 410 L C -1.615 175.215 176.870 -0.067 0.000 0.991 410 L CA -0.487 54.345 54.840 -0.014 0.000 0.818 410 L CB 1.946 44.003 42.059 -0.003 0.000 1.321 410 L HN 0.437 nan 8.230 nan 0.000 0.413 411 V N 5.049 124.934 119.914 -0.048 0.000 2.409 411 V HA 0.456 4.571 4.120 -0.009 0.000 0.290 411 V C -0.693 175.400 176.094 -0.001 0.000 1.017 411 V CA -0.662 61.614 62.300 -0.041 0.000 0.841 411 V CB 1.763 33.561 31.823 -0.042 0.000 1.003 411 V HN 0.519 nan 8.190 nan 0.000 0.426 412 V N 6.552 126.496 119.914 0.049 0.000 2.333 412 V HA 0.280 4.395 4.120 -0.009 0.000 0.274 412 V C 0.629 176.789 176.094 0.110 0.000 1.028 412 V CA -0.180 62.163 62.300 0.072 0.000 0.851 412 V CB 1.375 33.245 31.823 0.079 0.000 1.000 412 V HN 0.690 nan 8.190 nan 0.000 0.456 413 L N 4.029 125.288 121.223 0.060 0.000 2.592 413 L HA 0.489 4.824 4.340 -0.009 0.000 0.227 413 L C 1.208 178.115 176.870 0.061 0.000 1.127 413 L CA 1.068 55.939 54.840 0.051 0.000 0.884 413 L CB -0.715 41.359 42.059 0.025 0.000 1.065 413 L HN 1.021 nan 8.230 nan 0.000 0.457 414 G N -1.325 107.519 108.800 0.074 0.000 2.999 414 G HA2 0.141 4.096 3.960 -0.009 0.000 0.686 414 G HA3 0.141 4.096 3.960 -0.009 0.000 0.686 414 G C 0.100 175.021 174.900 0.035 0.000 1.057 414 G CA -0.436 44.703 45.100 0.065 0.000 0.784 414 G HN 0.545 nan 8.290 nan 0.000 0.575 415 G N -0.170 108.646 108.800 0.026 0.000 3.135 415 G HA2 0.891 4.845 3.960 -0.009 0.000 0.159 415 G HA3 0.891 4.845 3.960 -0.009 0.000 0.159 415 G C 0.342 175.250 174.900 0.013 0.000 1.244 415 G CA 0.728 45.838 45.100 0.016 0.000 0.965 415 G HN 1.892 nan 8.290 nan 0.000 0.599 416 S N -1.235 114.471 115.700 0.009 0.000 2.585 416 S HA 0.268 4.733 4.470 -0.009 0.000 0.277 416 S C 1.568 176.171 174.600 0.005 0.000 1.241 416 S CA -0.388 57.816 58.200 0.007 0.000 1.041 416 S CB 1.087 64.290 63.200 0.006 0.000 0.987 416 S HN 0.587 nan 8.310 nan 0.000 0.512 417 R N 1.515 122.018 120.500 0.005 0.000 2.280 417 R HA 0.001 4.335 4.340 -0.009 0.000 0.207 417 R C 1.588 177.890 176.300 0.002 0.000 1.043 417 R CA 1.367 57.469 56.100 0.003 0.000 1.006 417 R CB -1.150 29.151 30.300 0.003 0.000 0.885 417 R HN 0.711 nan 8.270 nan 0.000 0.467 418 T N -2.303 112.252 114.554 0.003 0.000 3.148 418 T HA -0.033 4.312 4.350 -0.009 0.000 0.253 418 T C 0.413 175.114 174.700 0.002 0.000 1.134 418 T CA 0.254 62.355 62.100 0.002 0.000 1.051 418 T CB 0.151 69.020 68.868 0.003 0.000 0.959 418 T HN 0.032 nan 8.240 nan 0.000 0.525 419 D N 2.038 122.439 120.400 0.002 0.000 2.634 419 D HA 0.280 4.914 4.640 -0.009 0.000 0.318 419 D C -1.549 174.750 176.300 -0.002 0.000 1.226 419 D CA -2.431 51.569 54.000 0.001 0.000 0.899 419 D CB 1.329 42.129 40.800 0.001 0.000 1.025 419 D HN 0.096 nan 8.370 nan 0.000 0.501 420 P HA -0.153 nan 4.420 nan 0.000 0.218 420 P C 1.240 178.535 177.300 -0.008 0.000 1.149 420 P CA 0.729 63.825 63.100 -0.005 0.000 0.817 420 P CB 0.668 32.365 31.700 -0.005 0.000 0.785 421 K N -0.478 119.918 120.400 -0.006 0.000 2.057 421 K HA -0.055 4.260 4.320 -0.009 0.000 0.207 421 K C 2.138 178.732 176.600 -0.010 0.000 1.049 421 K CA 1.764 58.047 56.287 -0.007 0.000 0.931 421 K CB -0.613 31.885 32.500 -0.005 0.000 0.714 421 K HN 0.151 nan 8.250 nan 0.000 0.440 422 T N 1.377 115.926 114.554 -0.009 0.000 2.904 422 T HA -0.038 4.307 4.350 -0.009 0.000 0.267 422 T C 1.481 176.171 174.700 -0.016 0.000 1.059 422 T CA 0.870 62.964 62.100 -0.012 0.000 1.137 422 T CB -0.127 68.736 68.868 -0.009 0.000 0.879 422 T HN 0.191 nan 8.240 nan 0.000 0.467 423 N N 1.248 119.939 118.700 -0.015 0.000 2.188 423 N HA -0.088 4.646 4.740 -0.009 0.000 0.184 423 N C 1.971 177.463 175.510 -0.030 0.000 1.018 423 N CA 1.039 54.077 53.050 -0.021 0.000 0.858 423 N CB -0.277 38.201 38.487 -0.015 0.000 0.989 423 N HN 0.455 nan 8.380 nan 0.000 0.426 424 E N 1.570 121.755 120.200 -0.025 0.000 2.077 424 E HA -0.143 4.201 4.350 -0.009 0.000 0.193 424 E C 1.061 177.643 176.600 -0.030 0.000 0.989 424 E CA 1.377 57.761 56.400 -0.027 0.000 0.800 424 E CB -0.177 29.511 29.700 -0.020 0.000 0.746 424 E HN 0.142 nan 8.360 nan 0.000 0.452 425 D N -0.409 119.976 120.400 -0.025 0.000 2.117 425 D HA -0.154 4.481 4.640 -0.009 0.000 0.197 425 D C 1.770 178.051 176.300 -0.032 0.000 0.987 425 D CA 1.220 55.205 54.000 -0.025 0.000 0.829 425 D CB -0.140 40.648 40.800 -0.020 0.000 0.961 425 D HN 0.281 nan 8.370 nan 0.000 0.460 426 M N 0.175 119.752 119.600 -0.038 0.000 2.254 426 M HA -0.043 4.432 4.480 -0.009 0.000 0.265 426 M C 2.292 178.547 176.300 -0.075 0.000 1.066 426 M CA 0.643 55.914 55.300 -0.049 0.000 1.123 426 M CB -1.062 31.511 32.600 -0.044 0.000 1.388 426 M HN -0.064 nan 8.290 nan 0.000 0.425 427 S N 0.856 116.509 115.700 -0.078 0.000 2.348 427 S HA -0.092 4.372 4.470 -0.009 0.000 0.221 427 S C 2.026 176.579 174.600 -0.079 0.000 1.033 427 S CA 0.900 59.040 58.200 -0.099 0.000 1.010 427 S CB -0.251 62.902 63.200 -0.079 0.000 0.891 427 S HN 0.470 nan 8.310 nan 0.000 0.442 428 L N 0.984 122.174 121.223 -0.055 0.000 2.042 428 L HA -0.110 4.225 4.340 -0.009 0.000 0.210 428 L C 2.602 179.450 176.870 -0.037 0.000 1.076 428 L CA 1.720 56.535 54.840 -0.042 0.000 0.749 428 L CB -0.593 41.448 42.059 -0.030 0.000 0.893 428 L HN 0.378 nan 8.230 nan 0.000 0.432 429 S N -0.316 115.362 115.700 -0.036 0.000 2.368 429 S HA -0.141 4.324 4.470 -0.009 0.000 0.225 429 S C 1.732 176.314 174.600 -0.029 0.000 1.030 429 S CA 0.813 58.998 58.200 -0.025 0.000 0.999 429 S CB -0.156 63.031 63.200 -0.023 0.000 0.844 429 S HN 0.218 nan 8.310 nan 0.000 0.459 430 L N 0.911 122.100 121.223 -0.057 0.000 2.201 430 L HA 0.157 4.491 4.340 -0.009 0.000 0.212 430 L C 1.434 178.278 176.870 -0.043 0.000 1.105 430 L CA 1.434 56.235 54.840 -0.065 0.000 0.775 430 L CB -1.978 39.993 42.059 -0.146 0.000 0.913 430 L HN 0.478 nan 8.230 nan 0.000 0.440 431 G N -0.430 108.342 108.800 -0.047 0.000 2.699 431 G HA2 -0.158 3.796 3.960 -0.009 0.000 0.686 431 G HA3 -0.158 3.796 3.960 -0.009 0.000 0.686 431 G C -0.312 174.550 174.900 -0.065 0.000 1.301 431 G CA -0.572 44.506 45.100 -0.037 0.000 0.816 431 G HN 0.218 nan 8.290 nan 0.000 0.595 432 E N -0.234 119.929 120.200 -0.061 0.000 2.284 432 E HA 0.697 5.042 4.350 -0.009 0.000 0.255 432 E C 0.291 176.851 176.600 -0.066 0.000 1.052 432 E CA -0.529 55.808 56.400 -0.106 0.000 0.904 432 E CB 1.449 31.104 29.700 -0.075 0.000 1.217 432 E HN 0.851 nan 8.360 nan 0.000 0.438 433 H N -1.631 117.319 119.070 -0.200 0.000 3.012 433 H HA 0.472 5.023 4.556 -0.010 0.000 0.367 433 H C -1.314 173.740 175.328 -0.456 0.000 1.211 433 H CA -0.965 54.861 56.048 -0.370 0.000 1.139 433 H CB 1.874 31.360 29.762 -0.460 0.000 1.838 433 H HN 0.389 nan 8.280 nan 0.000 0.550 434 E N 2.532 122.452 120.200 -0.466 0.000 2.151 434 E HA 0.453 4.798 4.350 -0.009 0.000 0.275 434 E C -1.603 174.543 176.600 -0.757 0.000 0.936 434 E CA -0.896 55.245 56.400 -0.432 0.000 0.777 434 E CB 2.360 31.883 29.700 -0.294 0.000 1.108 434 E HN 0.399 nan 8.360 nan 0.000 0.401 435 V N 3.502 123.024 119.914 -0.652 0.000 3.102 435 V HA 0.425 4.540 4.120 -0.009 0.000 0.312 435 V C -1.269 174.620 176.094 -0.342 0.000 1.135 435 V CA -0.594 61.260 62.300 -0.744 0.000 1.022 435 V CB 2.287 33.398 31.823 -1.187 0.000 1.056 435 V HN 0.772 nan 8.190 nan 0.000 0.436 436 E N 2.804 122.875 120.200 -0.215 0.000 2.176 436 E HA 0.552 4.896 4.350 -0.009 0.000 0.267 436 E C -0.981 175.655 176.600 0.060 0.000 0.893 436 E CA -0.645 55.723 56.400 -0.053 0.000 0.761 436 E CB 1.633 31.318 29.700 -0.024 0.000 1.133 436 E HN 0.518 nan 8.360 nan 0.000 0.409 437 R N 2.666 123.214 120.500 0.080 0.000 2.686 437 R HA 0.252 4.586 4.340 -0.009 0.000 0.286 437 R C -1.220 175.162 176.300 0.136 0.000 0.969 437 R CA -0.794 55.392 56.100 0.144 0.000 0.898 437 R CB 1.329 31.722 30.300 0.155 0.000 1.183 437 R HN 0.498 nan 8.270 nan 0.000 0.456 438 D N 2.450 122.960 120.400 0.183 0.000 2.317 438 D HA 0.061 4.695 4.640 -0.009 0.000 0.252 438 D C -0.266 176.202 176.300 0.281 0.000 1.174 438 D CA 0.201 54.345 54.000 0.240 0.000 0.866 438 D CB 1.015 42.041 40.800 0.376 0.000 1.127 438 D HN 0.097 nan 8.370 nan 0.000 0.467 439 R N 4.539 125.171 120.500 0.220 0.000 2.755 439 R HA 0.058 4.393 4.340 -0.009 0.000 0.268 439 R C -0.725 175.728 176.300 0.256 0.000 1.295 439 R CA -0.647 55.570 56.100 0.194 0.000 1.379 439 R CB -0.483 29.884 30.300 0.110 0.000 1.170 439 R HN 0.311 nan 8.270 nan 0.000 0.584 440 Y N 0.603 120.919 120.300 0.026 0.000 2.881 440 Y HA -0.102 4.443 4.550 -0.009 0.000 0.335 440 Y C 1.257 177.168 175.900 0.017 0.000 1.263 440 Y CA 0.753 58.865 58.100 0.021 0.000 1.572 440 Y CB 0.224 38.697 38.460 0.020 0.000 1.237 440 Y HN 0.343 nan 8.280 nan 0.000 0.568 453 A N 4.506 127.339 122.820 0.022 0.000 2.498 453 A HA 0.626 4.940 4.320 -0.009 0.000 0.298 453 A C -1.446 176.168 177.584 0.049 0.000 1.075 453 A CA -0.708 51.345 52.037 0.027 0.000 0.714 453 A CB 1.771 20.788 19.000 0.028 0.000 1.299 453 A HN 0.571 nan 8.150 nan 0.000 0.407 454 L N 1.439 122.683 121.223 0.036 0.000 2.292 454 L HA 0.529 4.864 4.340 -0.009 0.000 0.284 454 L C -0.087 176.803 176.870 0.032 0.000 1.065 454 L CA -0.182 54.683 54.840 0.041 0.000 0.806 454 L CB 1.298 43.374 42.059 0.028 0.000 1.175 454 L HN 0.970 nan 8.230 nan 0.000 0.431 455 E N 3.050 123.271 120.200 0.035 0.000 2.275 455 E HA 0.547 4.892 4.350 -0.009 0.000 0.270 455 E C -1.308 175.292 176.600 0.001 0.000 0.882 455 E CA -1.093 55.320 56.400 0.021 0.000 0.758 455 E CB 1.621 31.341 29.700 0.033 0.000 1.195 455 E HN 0.311 nan 8.360 nan 0.000 0.419 456 R N 1.463 121.952 120.500 -0.019 0.000 2.349 456 R HA 0.672 5.006 4.340 -0.009 0.000 0.299 456 R C -0.956 175.314 176.300 -0.051 0.000 1.027 456 R CA -0.671 55.398 56.100 -0.052 0.000 0.958 456 R CB 1.719 31.985 30.300 -0.056 0.000 1.047 456 R HN 0.441 nan 8.270 nan 0.000 0.468 457 V N 3.297 123.162 119.914 -0.081 0.000 2.777 457 V HA 0.437 4.551 4.120 -0.009 0.000 0.306 457 V C -0.507 175.543 176.094 -0.072 0.000 1.112 457 V CA -0.934 61.334 62.300 -0.053 0.000 0.917 457 V CB 2.364 34.184 31.823 -0.006 0.000 1.018 457 V HN 0.676 nan 8.190 nan 0.000 0.426 458 R N 3.492 123.967 120.500 -0.041 0.000 2.407 458 R HA 0.765 5.099 4.340 -0.009 0.000 0.303 458 R C -0.619 175.683 176.300 0.004 0.000 0.981 458 R CA -0.545 55.536 56.100 -0.031 0.000 0.905 458 R CB 1.670 31.944 30.300 -0.043 0.000 1.099 458 R HN 0.918 nan 8.270 nan 0.000 0.459 459 E N 1.679 121.883 120.200 0.007 0.000 2.416 459 E HA 0.356 4.700 4.350 -0.009 0.000 0.280 459 E C -1.046 175.470 176.600 -0.139 0.000 1.055 459 E CA -1.255 55.133 56.400 -0.020 0.000 0.825 459 E CB 0.963 30.708 29.700 0.075 0.000 1.312 459 E HN 0.095 nan 8.360 nan 0.000 0.452 460 R N 0.810 121.259 120.500 -0.085 0.000 2.491 460 R HA 0.152 4.486 4.340 -0.009 0.000 0.283 460 R C 0.858 177.082 176.300 -0.126 0.000 1.072 460 R CA -0.151 55.884 56.100 -0.108 0.000 1.048 460 R CB 1.020 31.285 30.300 -0.058 0.000 0.983 460 R HN 0.515 nan 8.270 nan 0.000 0.450 461 V N 2.582 122.383 119.914 -0.188 0.000 2.427 461 V HA -0.095 4.019 4.120 -0.009 0.000 0.248 461 V C 0.843 176.992 176.094 0.092 0.000 1.051 461 V CA 1.363 63.614 62.300 -0.081 0.000 1.048 461 V CB 0.179 31.961 31.823 -0.069 0.000 0.666 461 V HN 0.372 nan 8.190 nan 0.000 0.456 462 V N 1.145 121.016 119.914 -0.073 0.000 2.409 462 V HA 0.357 4.472 4.120 -0.009 0.000 0.290 462 V C -0.068 175.945 176.094 -0.134 0.000 1.017 462 V CA -0.440 61.758 62.300 -0.171 0.000 0.841 462 V CB 1.579 33.094 31.823 -0.513 0.000 1.003 462 V HN 0.274 nan 8.190 nan 0.000 0.426 463 M N 5.760 125.312 119.600 -0.080 0.000 2.207 463 M HA 0.209 4.683 4.480 -0.009 0.000 0.311 463 M C -1.387 174.873 176.300 -0.067 0.000 1.127 463 M CA -1.077 54.188 55.300 -0.058 0.000 1.181 463 M CB 0.679 33.257 32.600 -0.036 0.000 1.409 463 M HN 0.301 nan 8.290 nan 0.000 0.461 464 P HA -0.082 nan 4.420 nan 0.000 0.217 464 P C 0.834 178.119 177.300 -0.025 0.000 1.150 464 P CA 1.458 64.534 63.100 -0.041 0.000 0.832 464 P CB -0.023 31.659 31.700 -0.029 0.000 0.787 465 A N 0.196 123.005 122.820 -0.019 0.000 1.972 465 A HA -0.234 4.080 4.320 -0.009 0.000 0.219 465 A C 2.073 179.658 177.584 0.002 0.000 1.169 465 A CA 1.571 53.603 52.037 -0.009 0.000 0.635 465 A CB -1.156 17.838 19.000 -0.010 0.000 0.810 465 A HN 0.205 nan 8.150 nan 0.000 0.446 466 E N -0.426 119.774 120.200 -0.001 0.000 2.150 466 E HA -0.121 4.224 4.350 -0.009 0.000 0.193 466 E C 1.746 178.392 176.600 0.075 0.000 0.985 466 E CA 1.114 57.535 56.400 0.035 0.000 0.814 466 E CB -0.251 29.469 29.700 0.033 0.000 0.752 466 E HN 0.748 nan 8.360 nan 0.000 0.466 467 I N 0.917 121.507 120.570 0.033 0.000 2.406 467 I HA -0.146 4.019 4.170 -0.009 0.000 0.249 467 I C 2.488 178.635 176.117 0.050 0.000 1.122 467 I CA 0.653 61.988 61.300 0.058 0.000 1.431 467 I CB -0.159 37.839 38.000 -0.004 0.000 1.087 467 I HN 0.026 nan 8.210 nan 0.000 0.424 468 A N 0.869 123.704 122.820 0.026 0.000 1.968 468 A HA -0.130 4.184 4.320 -0.009 0.000 0.217 468 A C 1.697 179.295 177.584 0.024 0.000 1.169 468 A CA 1.497 53.545 52.037 0.020 0.000 0.638 468 A CB -0.790 18.215 19.000 0.009 0.000 0.812 468 A HN 0.513 nan 8.150 nan 0.000 0.446 469 N N -0.446 118.272 118.700 0.029 0.000 2.276 469 N HA 0.289 5.023 4.740 -0.009 0.000 0.212 469 N C -0.567 174.963 175.510 0.035 0.000 1.127 469 N CA -0.310 52.755 53.050 0.025 0.000 0.834 469 N CB 0.255 38.753 38.487 0.018 0.000 1.014 469 N HN 0.352 nan 8.380 nan 0.000 0.491 470 L N 2.607 123.861 121.223 0.052 0.000 2.416 470 L HA 0.250 4.584 4.340 -0.009 0.000 0.272 470 L C -1.633 175.251 176.870 0.022 0.000 1.161 470 L CA -1.437 53.434 54.840 0.052 0.000 0.845 470 L CB 0.399 42.510 42.059 0.086 0.000 1.119 470 L HN 0.002 nan 8.230 nan 0.000 0.464 471 P HA 0.163 nan 4.420 nan 0.000 0.276 471 P C -1.080 176.218 177.300 -0.003 0.000 1.252 471 P CA -0.649 62.450 63.100 -0.001 0.000 0.802 471 P CB 0.922 32.617 31.700 -0.009 0.000 1.035 472 D N 0.334 120.733 120.400 -0.001 0.000 2.378 472 D HA 0.137 4.771 4.640 -0.009 0.000 0.238 472 D C 0.859 177.155 176.300 -0.006 0.000 1.180 472 D CA 0.188 54.187 54.000 -0.001 0.000 0.895 472 D CB -0.104 40.697 40.800 0.002 0.000 1.192 472 D HN 0.357 nan 8.370 nan 0.000 0.438 473 L N -0.759 120.462 121.223 -0.003 0.000 4.040 473 L HA -0.244 4.091 4.340 -0.009 0.000 0.410 473 L C -0.396 176.461 176.870 -0.022 0.000 1.187 473 L CA 0.492 55.329 54.840 -0.005 0.000 0.956 473 L CB -2.108 39.950 42.059 -0.001 0.000 2.022 473 L HN 0.394 nan 8.230 nan 0.000 0.897 474 T N -0.494 114.039 114.554 -0.035 0.000 2.886 474 T HA 0.824 5.168 4.350 -0.009 0.000 0.292 474 T C -0.132 174.513 174.700 -0.091 0.000 1.012 474 T CA 0.122 62.175 62.100 -0.078 0.000 0.982 474 T CB 2.265 71.076 68.868 -0.096 0.000 1.018 474 T HN 0.371 nan 8.240 nan 0.000 0.451 475 A N 2.223 124.958 122.820 -0.142 0.000 2.556 475 A HA 0.815 5.130 4.320 -0.009 0.000 0.294 475 A C -2.100 175.354 177.584 -0.218 0.000 1.091 475 A CA -0.777 51.194 52.037 -0.110 0.000 0.704 475 A CB 1.195 20.171 19.000 -0.040 0.000 1.300 475 A HN 0.775 nan 8.150 nan 0.000 0.406 476 Y N 0.342 120.623 120.300 -0.032 0.000 2.331 476 Y HA 0.486 5.030 4.550 -0.009 0.000 0.338 476 Y C -0.002 175.848 175.900 -0.085 0.000 0.976 476 Y CA -0.327 57.751 58.100 -0.037 0.000 1.137 476 Y CB 1.981 40.429 38.460 -0.021 0.000 1.172 476 Y HN 0.343 nan 8.280 nan 0.000 0.478 477 V N 3.456 123.364 119.914 -0.009 0.000 2.328 477 V HA 0.563 4.678 4.120 -0.009 0.000 0.278 477 V C 0.284 176.241 176.094 -0.228 0.000 1.021 477 V CA -0.680 61.498 62.300 -0.203 0.000 0.838 477 V CB 1.215 32.850 31.823 -0.314 0.000 0.999 477 V HN 0.939 nan 8.190 nan 0.000 0.447 478 G N 4.533 113.198 108.800 -0.224 0.000 2.788 478 G HA2 0.580 4.534 3.960 -0.009 0.000 0.327 478 G HA3 0.580 4.534 3.960 -0.009 0.000 0.327 478 G C -0.724 174.109 174.900 -0.111 0.000 1.249 478 G CA -0.274 44.761 45.100 -0.108 0.000 1.063 478 G HN 0.352 nan 8.290 nan 0.000 0.497 479 F N 1.762 121.751 119.950 0.065 0.000 2.406 479 F HA 0.530 5.050 4.527 -0.011 0.000 0.327 479 F C 1.282 177.110 175.800 0.048 0.000 1.153 479 F CA -0.166 57.869 58.000 0.058 0.000 1.218 479 F CB 1.045 40.075 39.000 0.051 0.000 1.215 479 F HN 0.575 nan 8.300 nan 0.000 0.570 480 A N 1.465 124.454 122.820 0.281 0.000 2.521 480 A HA 0.449 4.764 4.320 -0.009 0.000 0.237 480 A C 0.897 178.550 177.584 0.115 0.000 1.087 480 A CA 0.292 52.418 52.037 0.149 0.000 0.777 480 A CB -0.962 18.100 19.000 0.103 0.000 1.035 480 A HN 1.661 nan 8.150 nan 0.000 0.510 481 G N 0.213 109.057 108.800 0.073 0.000 2.697 481 G HA2 -0.221 3.734 3.960 -0.009 0.000 0.240 481 G HA3 -0.221 3.734 3.960 -0.009 0.000 0.240 481 G C 0.099 175.036 174.900 0.061 0.000 1.346 481 G CA 0.302 45.434 45.100 0.054 0.000 0.887 481 G HN 1.799 nan 8.290 nan 0.000 0.569 482 N N 1.498 120.225 118.700 0.046 0.000 2.744 482 N HA 0.228 4.962 4.740 -0.009 0.000 0.290 482 N C 0.292 175.832 175.510 0.050 0.000 1.206 482 N CA 0.316 53.392 53.050 0.043 0.000 1.119 482 N CB -0.266 38.238 38.487 0.028 0.000 1.449 482 N HN 0.580 nan 8.380 nan 0.000 0.514 483 R N 2.041 122.585 120.500 0.075 0.000 2.744 483 R HA 0.545 4.880 4.340 -0.009 0.000 0.279 483 R C -2.524 173.829 176.300 0.089 0.000 0.977 483 R CA -1.589 54.567 56.100 0.093 0.000 0.906 483 R CB 1.196 31.594 30.300 0.163 0.000 1.197 483 R HN 0.354 nan 8.270 nan 0.000 0.463 484 P HA 0.356 nan 4.420 nan 0.000 0.278 484 P C -0.076 177.283 177.300 0.099 0.000 1.258 484 P CA -0.544 62.598 63.100 0.070 0.000 0.811 484 P CB 0.888 32.613 31.700 0.043 0.000 1.063 485 I N -2.268 118.365 120.570 0.104 0.000 2.918 485 I HA 0.840 5.005 4.170 -0.009 0.000 0.316 485 I C -0.688 175.509 176.117 0.133 0.000 1.001 485 I CA -1.241 60.125 61.300 0.109 0.000 1.142 485 I CB 1.715 39.787 38.000 0.120 0.000 1.356 485 I HN 0.396 nan 8.210 nan 0.000 0.524 486 A N 3.010 125.904 122.820 0.123 0.000 2.520 486 A HA 0.502 4.816 4.320 -0.009 0.000 0.298 486 A C -1.060 176.535 177.584 0.017 0.000 1.051 486 A CA -0.837 51.257 52.037 0.095 0.000 0.690 486 A CB 1.508 20.547 19.000 0.064 0.000 1.281 486 A HN 0.793 nan 8.150 nan 0.000 0.402 487 K N 1.969 122.323 120.400 -0.076 0.000 2.284 487 K HA 0.559 4.873 4.320 -0.009 0.000 0.287 487 K C -1.210 175.265 176.600 -0.209 0.000 1.081 487 K CA -0.100 55.956 56.287 -0.386 0.000 0.910 487 K CB 0.512 32.745 32.500 -0.444 0.000 1.088 487 K HN 0.458 nan 8.250 nan 0.000 0.478 488 V N 6.730 126.529 119.914 -0.192 0.000 2.735 488 V HA 0.493 4.607 4.120 -0.009 0.000 0.310 488 V C -2.271 173.770 176.094 -0.089 0.000 1.061 488 V CA -1.930 60.312 62.300 -0.097 0.000 0.913 488 V CB 1.758 33.556 31.823 -0.042 0.000 1.005 488 V HN 0.846 nan 8.190 nan 0.000 0.428 489 P HA 0.442 nan 4.420 nan 0.000 0.288 489 P C -1.374 175.920 177.300 -0.011 0.000 1.267 489 P CA -0.485 62.592 63.100 -0.038 0.000 0.815 489 P CB 1.710 33.393 31.700 -0.029 0.000 0.989 490 L N 2.203 123.423 121.223 -0.004 0.000 2.289 490 L HA 0.353 4.688 4.340 -0.009 0.000 0.285 490 L C 0.996 177.880 176.870 0.024 0.000 1.049 490 L CA -0.170 54.681 54.840 0.018 0.000 0.804 490 L CB 0.705 42.777 42.059 0.022 0.000 1.195 490 L HN 0.419 nan 8.230 nan 0.000 0.428 491 E N 3.707 123.930 120.200 0.038 0.000 2.200 491 E HA 0.240 4.584 4.350 -0.009 0.000 0.283 491 E C -0.491 176.138 176.600 0.048 0.000 1.015 491 E CA -0.536 55.884 56.400 0.033 0.000 0.819 491 E CB 0.784 30.504 29.700 0.033 0.000 1.081 491 E HN 0.511 nan 8.360 nan 0.000 0.397 492 I N 5.606 126.197 120.570 0.034 0.000 2.366 492 I HA 0.024 4.188 4.170 -0.009 0.000 0.302 492 I C 0.813 176.952 176.117 0.037 0.000 1.194 492 I CA 0.054 61.382 61.300 0.047 0.000 1.667 492 I CB -0.398 37.619 38.000 0.027 0.000 1.501 492 I HN 0.341 nan 8.210 nan 0.000 0.776 493 K N 3.553 123.994 120.400 0.069 0.000 2.436 493 K HA 0.008 4.322 4.320 -0.009 0.000 0.275 493 K C 0.046 176.595 176.600 -0.085 0.000 0.999 493 K CA -0.122 56.132 56.287 -0.055 0.000 0.980 493 K CB 0.592 33.055 32.500 -0.062 0.000 0.919 493 K HN 0.257 nan 8.250 nan 0.000 0.484 494 Q N 2.758 122.378 119.800 -0.300 0.000 2.278 494 Q HA 0.337 4.672 4.340 -0.009 0.000 0.257 494 Q C -1.636 174.063 176.000 -0.503 0.000 0.928 494 Q CA -0.082 55.584 55.803 -0.228 0.000 0.932 494 Q CB 0.688 29.323 28.738 -0.172 0.000 1.221 494 Q HN 0.382 nan 8.270 nan 0.000 0.434 495 F N 1.393 121.236 119.950 -0.179 0.000 2.482 495 F HA 0.676 5.198 4.527 -0.009 0.000 0.331 495 F C 0.268 175.938 175.800 -0.216 0.000 1.115 495 F CA -1.111 56.736 58.000 -0.255 0.000 0.955 495 F CB 1.603 40.378 39.000 -0.374 0.000 1.136 495 F HN 0.565 nan 8.300 nan 0.000 0.452 496 A N 3.046 125.818 122.820 -0.080 0.000 2.440 496 A HA 0.250 4.564 4.320 -0.009 0.000 0.251 496 A C 0.079 177.611 177.584 -0.087 0.000 1.089 496 A CA -0.602 51.388 52.037 -0.079 0.000 0.779 496 A CB -0.049 18.902 19.000 -0.083 0.000 1.022 496 A HN 0.860 nan 8.150 nan 0.000 0.492 497 N N 2.034 120.688 118.700 -0.076 0.000 2.400 497 N HA 0.080 4.814 4.740 -0.009 0.000 0.267 497 N C 0.332 175.793 175.510 -0.081 0.000 1.208 497 N CA -0.148 52.851 53.050 -0.086 0.000 0.951 497 N CB 0.592 39.039 38.487 -0.066 0.000 1.227 497 N HN 0.567 nan 8.380 nan 0.000 0.488 498 R N 1.492 121.934 120.500 -0.097 0.000 2.334 498 R HA 0.093 4.428 4.340 -0.009 0.000 0.220 498 R C 0.005 176.259 176.300 -0.076 0.000 0.917 498 R CA 0.250 56.305 56.100 -0.075 0.000 1.073 498 R CB 0.260 30.519 30.300 -0.067 0.000 1.056 498 R HN 0.579 nan 8.270 nan 0.000 0.506 499 Q N 0.388 120.134 119.800 -0.089 0.000 2.574 499 Q HA 0.208 4.543 4.340 -0.009 0.000 0.265 499 Q C -2.851 173.099 176.000 -0.084 0.000 0.975 499 Q CA -1.780 53.969 55.803 -0.091 0.000 0.923 499 Q CB 2.767 31.430 28.738 -0.126 0.000 1.518 499 Q HN -0.130 nan 8.270 nan 0.000 0.401 500 P HA 0.043 nan 4.420 nan 0.000 0.271 500 P C -0.319 176.958 177.300 -0.038 0.000 1.226 500 P CA 0.344 63.416 63.100 -0.047 0.000 0.765 500 P CB 1.374 33.047 31.700 -0.046 0.000 0.835 501 A N 4.460 127.272 122.820 -0.013 0.000 1.908 501 A HA -0.114 4.200 4.320 -0.009 0.000 0.218 501 A C 0.708 178.364 177.584 0.120 0.000 1.181 501 A CA 1.368 53.411 52.037 0.010 0.000 0.627 501 A CB -0.688 18.314 19.000 0.003 0.000 0.818 501 A HN 0.575 nan 8.150 nan 0.000 0.445 502 F N -1.263 118.656 119.950 -0.051 0.000 2.556 502 F HA 0.561 5.082 4.527 -0.009 0.000 0.314 502 F C -1.132 174.659 175.800 -0.016 0.000 1.106 502 F CA -1.645 56.340 58.000 -0.025 0.000 0.911 502 F CB 2.147 41.138 39.000 -0.015 0.000 1.190 502 F HN -0.200 nan 8.300 nan 0.000 0.448 503 V N 5.809 125.424 119.914 -0.498 0.000 2.327 503 V HA 0.232 4.346 4.120 -0.009 0.000 0.272 503 V C 0.051 175.740 176.094 -0.674 0.000 1.019 503 V CA -0.748 61.269 62.300 -0.472 0.000 0.814 503 V CB 0.630 32.322 31.823 -0.219 0.000 1.040 503 V HN 0.819 nan 8.190 nan 0.000 0.440 504 E N 0.000 119.722 120.200 -0.797 0.000 2.725 504 E HA 0.000 4.345 4.350 -0.009 0.000 0.291 504 E CA 0.000 56.088 56.400 -0.520 0.000 0.976 504 E CB 0.000 29.549 29.700 -0.252 0.000 0.812 504 E HN 0.000 nan 8.360 nan 0.000 0.440