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_E 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 HEVERDRYSK NTXXXXXXXR 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 0.000 174.520 174.600 -0.133 0.000 1.055 73 S CA 0.000 58.172 58.200 -0.046 0.000 1.107 73 S CB 0.000 63.198 63.200 -0.004 0.000 0.593 74 V N 0.210 119.946 119.914 -0.296 0.000 3.023 74 V HA 0.737 4.858 4.120 0.001 0.000 0.294 74 V C 0.851 176.543 176.094 -0.671 0.000 1.324 74 V CA 0.079 62.105 62.300 -0.457 0.000 0.979 74 V CB 1.520 33.014 31.823 -0.549 0.000 1.093 74 V HN 0.880 nan 8.190 nan 0.000 0.434 75 G N 2.665 111.257 108.800 -0.347 0.000 2.192 75 G HA2 -0.188 3.773 3.960 0.001 0.000 0.193 75 G HA3 -0.188 3.773 3.960 0.001 0.000 0.193 75 G C 0.603 175.536 174.900 0.056 0.000 0.999 75 G CA 1.027 46.080 45.100 -0.079 0.000 0.659 75 G HN 1.110 nan 8.290 nan 0.000 0.503 76 Q N -0.599 119.195 119.800 -0.011 0.000 2.156 76 Q HA -0.223 4.118 4.340 0.001 0.000 0.607 76 Q C 2.009 178.031 176.000 0.037 0.000 0.752 76 Q CA 2.421 58.230 55.803 0.010 0.000 0.930 76 Q CB -1.209 27.528 28.738 -0.001 0.000 1.283 76 Q HN 1.263 nan 8.270 nan 0.000 0.813 77 G N -0.350 108.472 108.800 0.036 0.000 3.371 77 G HA2 0.081 4.041 3.960 0.001 0.000 0.248 77 G HA3 0.081 4.041 3.960 0.001 0.000 0.248 77 G C 0.670 175.611 174.900 0.068 0.000 1.161 77 G CA 0.049 45.172 45.100 0.039 0.000 0.796 77 G HN 0.421 nan 8.290 nan 0.000 0.539 78 E N 0.294 120.558 120.200 0.107 0.000 2.048 78 E HA 0.070 4.421 4.350 0.001 0.000 0.193 78 E C 0.170 176.925 176.600 0.260 0.000 0.956 78 E CA -0.256 56.240 56.400 0.160 0.000 0.846 78 E CB -0.204 29.591 29.700 0.158 0.000 0.827 78 E HN 0.246 nan 8.360 nan 0.000 0.466 79 F N 2.047 122.076 119.950 0.133 0.000 2.427 79 F HA 0.409 4.937 4.527 0.001 0.000 0.352 79 F C 1.349 177.233 175.800 0.140 0.000 1.100 79 F CA -0.517 57.591 58.000 0.179 0.000 1.191 79 F CB 1.465 40.658 39.000 0.322 0.000 1.128 79 F HN 0.022 nan 8.300 nan 0.000 0.533 80 G N 3.871 112.366 108.800 -0.509 0.000 2.712 80 G HA2 0.201 4.161 3.960 0.001 0.000 0.212 80 G HA3 0.201 4.161 3.960 0.001 0.000 0.212 80 G C 0.731 175.229 174.900 -0.669 0.000 1.142 80 G CA 0.392 45.223 45.100 -0.448 0.000 0.789 80 G HN 0.971 nan 8.290 nan 0.000 0.535 81 G N -0.180 107.692 108.800 -1.548 0.000 2.509 81 G HA2 0.534 4.495 3.960 0.001 0.000 0.269 81 G HA3 0.534 4.495 3.960 0.001 0.000 0.269 81 G C 0.191 174.969 174.900 -0.203 0.000 1.416 81 G CA 0.037 44.663 45.100 -0.790 0.000 1.052 81 G HN 0.476 nan 8.290 nan 0.000 0.542 82 A N 0.014 122.932 122.820 0.163 0.000 2.425 82 A HA 0.584 4.905 4.320 0.001 0.000 0.249 82 A C -2.124 175.708 177.584 0.414 0.000 1.084 82 A CA -0.743 51.434 52.037 0.233 0.000 0.781 82 A CB -0.039 19.092 19.000 0.218 0.000 1.019 82 A HN 0.398 nan 8.150 nan 0.000 0.490 83 P HA 0.392 nan 4.420 nan 0.000 0.272 83 P C -0.780 176.652 177.300 0.219 0.000 1.223 83 P CA 0.223 63.425 63.100 0.169 0.000 0.784 83 P CB 0.333 32.056 31.700 0.039 0.000 0.923 84 F N -0.682 119.363 119.950 0.159 0.000 2.611 84 F HA 0.639 5.167 4.527 0.001 0.000 0.324 84 F C 1.249 177.095 175.800 0.078 0.000 1.061 84 F CA -1.238 56.823 58.000 0.101 0.000 0.954 84 F CB 1.235 40.264 39.000 0.049 0.000 1.301 84 F HN 0.116 nan 8.300 nan 0.000 0.482 85 K N 0.043 120.595 120.400 0.253 0.000 2.044 85 K HA 0.131 4.452 4.320 0.001 0.000 0.204 85 K C 0.253 176.975 176.600 0.202 0.000 1.049 85 K CA 0.829 57.208 56.287 0.154 0.000 0.945 85 K CB 0.244 32.813 32.500 0.115 0.000 0.724 85 K HN 0.747 nan 8.250 nan 0.000 0.440 86 R N -0.247 120.437 120.500 0.307 0.000 2.651 86 R HA 0.157 4.498 4.340 0.001 0.000 0.278 86 R C -1.902 174.565 176.300 0.279 0.000 1.010 86 R CA -0.656 55.609 56.100 0.276 0.000 0.896 86 R CB 1.131 31.499 30.300 0.113 0.000 1.211 86 R HN -0.005 nan 8.270 nan 0.000 0.456 87 F N 5.888 125.920 119.950 0.137 0.000 2.391 87 F HA 0.293 4.821 4.527 0.001 0.000 0.359 87 F C 0.106 175.839 175.800 -0.112 0.000 1.122 87 F CA -0.513 57.424 58.000 -0.104 0.000 1.120 87 F CB 0.770 39.795 39.000 0.042 0.000 1.142 87 F HN 0.529 nan 8.300 nan 0.000 0.483 88 L N 4.956 125.669 121.223 -0.850 0.000 2.062 88 L HA 0.190 4.531 4.340 0.001 0.000 0.202 88 L C 0.584 176.963 176.870 -0.819 0.000 1.079 88 L CA 0.601 55.054 54.840 -0.645 0.000 0.755 88 L CB -0.289 41.503 42.059 -0.445 0.000 0.913 88 L HN 0.646 nan 8.230 nan 0.000 0.445 89 R N -1.737 118.102 120.500 -1.103 0.000 2.741 89 R HA 0.635 4.976 4.340 0.001 0.000 0.274 89 R C -0.499 175.553 176.300 -0.413 0.000 1.029 89 R CA -0.300 55.419 56.100 -0.636 0.000 0.880 89 R CB 1.058 31.198 30.300 -0.267 0.000 1.264 89 R HN 0.129 nan 8.270 nan 0.000 0.465 90 G N 0.172 108.986 108.800 0.024 0.000 2.384 90 G HA2 -0.076 3.884 3.960 0.001 0.000 0.200 90 G HA3 -0.076 3.884 3.960 0.001 0.000 0.200 90 G C -1.101 173.984 174.900 0.310 0.000 1.205 90 G CA -0.343 44.848 45.100 0.151 0.000 1.116 90 G HN 0.706 nan 8.290 nan 0.000 0.547 91 T N 1.950 116.655 114.554 0.250 0.000 2.806 91 T HA 0.600 4.951 4.350 0.001 0.000 0.290 91 T C 0.582 175.362 174.700 0.134 0.000 0.966 91 T CA -0.099 62.096 62.100 0.158 0.000 1.060 91 T CB 0.842 69.748 68.868 0.065 0.000 0.927 91 T HN 0.586 nan 8.240 nan 0.000 0.485 92 R N 2.331 122.815 120.500 -0.028 0.000 2.368 92 R HA 0.584 4.925 4.340 0.001 0.000 0.302 92 R C -0.439 175.826 176.300 -0.058 0.000 1.002 92 R CA -0.596 55.365 56.100 -0.232 0.000 0.929 92 R CB 1.266 31.369 30.300 -0.329 0.000 1.073 92 R HN 0.570 nan 8.270 nan 0.000 0.464 93 I N 3.177 123.742 120.570 -0.008 0.000 2.406 93 I HA 0.351 4.521 4.170 0.001 0.000 0.290 93 I C -0.953 175.212 176.117 0.082 0.000 0.999 93 I CA -0.779 60.573 61.300 0.087 0.000 1.124 93 I CB 1.382 39.494 38.000 0.187 0.000 1.289 93 I HN 0.302 nan 8.210 nan 0.000 0.441 94 V N 5.617 125.578 119.914 0.078 0.000 3.166 94 V HA 0.534 4.654 4.120 0.001 0.000 0.317 94 V C -0.013 176.128 176.094 0.078 0.000 1.136 94 V CA -0.391 61.946 62.300 0.062 0.000 1.035 94 V CB 2.631 34.479 31.823 0.042 0.000 1.110 94 V HN 0.868 nan 8.190 nan 0.000 0.450 95 S N 0.842 116.577 115.700 0.060 0.000 2.603 95 S HA 0.333 4.804 4.470 0.001 0.000 0.268 95 S C 1.287 175.917 174.600 0.050 0.000 1.317 95 S CA 0.150 58.381 58.200 0.052 0.000 1.012 95 S CB 1.218 64.440 63.200 0.038 0.000 0.926 95 S HN 1.182 nan 8.310 nan 0.000 0.539 96 G N 1.554 110.377 108.800 0.038 0.000 2.476 96 G HA2 -0.091 3.869 3.960 0.001 0.000 0.218 96 G HA3 -0.091 3.869 3.960 0.001 0.000 0.218 96 G C 1.368 176.297 174.900 0.047 0.000 1.164 96 G CA 0.722 45.846 45.100 0.039 0.000 0.768 96 G HN 1.042 nan 8.290 nan 0.000 0.560 97 G N 0.508 109.330 108.800 0.037 0.000 2.446 97 G HA2 -0.273 3.688 3.960 0.001 0.000 0.217 97 G HA3 -0.273 3.688 3.960 0.001 0.000 0.217 97 G C 1.718 176.641 174.900 0.040 0.000 1.168 97 G CA 1.384 46.505 45.100 0.036 0.000 0.771 97 G HN 0.544 nan 8.290 nan 0.000 0.551 98 K N -0.345 120.078 120.400 0.039 0.000 2.097 98 K HA -0.000 4.320 4.320 0.001 0.000 0.206 98 K C 2.408 179.038 176.600 0.050 0.000 1.049 98 K CA 1.001 57.311 56.287 0.038 0.000 0.933 98 K CB -0.231 32.288 32.500 0.032 0.000 0.717 98 K HN 0.258 nan 8.250 nan 0.000 0.442 99 L N 1.668 122.932 121.223 0.068 0.000 2.056 99 L HA -0.137 4.203 4.340 0.001 0.000 0.207 99 L C 1.722 178.654 176.870 0.103 0.000 1.078 99 L CA 1.793 56.693 54.840 0.099 0.000 0.749 99 L CB -0.245 41.890 42.059 0.127 0.000 0.901 99 L HN 0.052 nan 8.230 nan 0.000 0.433 100 K N -0.923 119.530 120.400 0.089 0.000 2.097 100 K HA -0.173 4.148 4.320 0.001 0.000 0.206 100 K C 2.300 178.931 176.600 0.051 0.000 1.049 100 K CA 1.478 57.813 56.287 0.079 0.000 0.933 100 K CB -0.190 32.350 32.500 0.067 0.000 0.717 100 K HN 0.271 nan 8.250 nan 0.000 0.442 101 R N 0.414 120.940 120.500 0.043 0.000 2.066 101 R HA 0.012 4.352 4.340 0.001 0.000 0.232 101 R C 2.308 178.622 176.300 0.023 0.000 1.131 101 R CA 1.490 57.607 56.100 0.029 0.000 0.955 101 R CB -0.055 30.261 30.300 0.026 0.000 0.851 101 R HN 0.167 nan 8.270 nan 0.000 0.432 102 M N -0.584 119.034 119.600 0.030 0.000 2.132 102 M HA -0.110 4.370 4.480 0.001 0.000 0.263 102 M C 2.158 178.463 176.300 0.008 0.000 1.065 102 M CA 2.002 57.316 55.300 0.023 0.000 1.122 102 M CB -0.194 32.428 32.600 0.036 0.000 1.365 102 M HN 0.220 nan 8.290 nan 0.000 0.411 103 T N -2.134 112.424 114.554 0.008 0.000 3.081 103 T HA 0.065 4.415 4.350 0.001 0.000 0.255 103 T C 0.924 175.593 174.700 -0.053 0.000 1.113 103 T CA -0.214 61.855 62.100 -0.051 0.000 1.082 103 T CB -0.218 68.588 68.868 -0.103 0.000 0.939 103 T HN 0.121 nan 8.240 nan 0.000 0.506 104 R N 2.061 122.552 120.500 -0.016 0.000 2.538 104 R HA 0.258 4.599 4.340 0.001 0.000 0.282 104 R C -0.134 176.154 176.300 -0.020 0.000 1.009 104 R CA 0.291 56.384 56.100 -0.011 0.000 1.063 104 R CB -0.025 30.278 30.300 0.005 0.000 0.945 104 R HN 0.544 nan 8.270 nan 0.000 0.414 105 E N 2.300 122.486 120.200 -0.023 0.000 2.369 105 E HA 0.170 4.520 4.350 0.001 0.000 0.270 105 E C 0.170 176.761 176.600 -0.015 0.000 0.909 105 E CA -0.903 55.483 56.400 -0.024 0.000 0.775 105 E CB 0.992 30.669 29.700 -0.037 0.000 1.270 105 E HN 0.650 nan 8.360 nan 0.000 0.445 106 K N 0.803 121.195 120.400 -0.013 0.000 1.991 106 K HA -0.029 4.291 4.320 0.001 0.000 0.212 106 K C 0.792 177.387 176.600 -0.009 0.000 1.049 106 K CA 1.074 57.355 56.287 -0.009 0.000 0.932 106 K CB -1.232 31.262 32.500 -0.009 0.000 0.717 106 K HN 0.381 nan 8.250 nan 0.000 0.441 107 A N 2.266 125.079 122.820 -0.012 0.000 2.521 107 A HA 0.002 4.322 4.320 0.001 0.000 0.237 107 A C -0.041 177.539 177.584 -0.007 0.000 1.087 107 A CA -0.020 52.012 52.037 -0.010 0.000 0.777 107 A CB -0.111 18.881 19.000 -0.013 0.000 1.035 107 A HN 0.361 nan 8.150 nan 0.000 0.510 108 K N 0.998 121.396 120.400 -0.003 0.000 2.412 108 K HA 0.168 4.489 4.320 0.001 0.000 0.281 108 K C 0.013 176.617 176.600 0.006 0.000 1.027 108 K CA 0.462 56.748 56.287 -0.001 0.000 0.989 108 K CB 0.313 32.812 32.500 -0.002 0.000 0.935 108 K HN 0.759 nan 8.250 nan 0.000 0.475 109 Q N 0.999 120.802 119.800 0.005 0.000 2.445 109 Q HA 0.466 4.806 4.340 0.001 0.000 0.281 109 Q C -0.860 175.155 176.000 0.023 0.000 1.101 109 Q CA -1.031 54.783 55.803 0.018 0.000 0.833 109 Q CB 2.308 31.046 28.738 0.001 0.000 1.416 109 Q HN 0.264 nan 8.270 nan 0.000 0.451 110 V N 0.624 120.571 119.914 0.055 0.000 2.834 110 V HA 0.539 4.659 4.120 0.001 0.000 0.313 110 V C -0.175 175.960 176.094 0.068 0.000 1.060 110 V CA -0.439 61.886 62.300 0.042 0.000 0.989 110 V CB 1.933 33.803 31.823 0.078 0.000 1.041 110 V HN 0.983 nan 8.190 nan 0.000 0.459 111 T N 0.178 114.776 114.554 0.073 0.000 2.912 111 T HA 0.781 5.132 4.350 0.001 0.000 0.288 111 T C -0.937 173.858 174.700 0.159 0.000 1.030 111 T CA -0.723 61.452 62.100 0.125 0.000 1.020 111 T CB 1.736 70.674 68.868 0.117 0.000 1.056 111 T HN 0.328 nan 8.240 nan 0.000 0.480 112 V N 1.884 121.930 119.914 0.219 0.000 2.409 112 V HA 0.656 4.776 4.120 0.001 0.000 0.290 112 V C 0.784 176.968 176.094 0.149 0.000 1.017 112 V CA -0.284 62.139 62.300 0.204 0.000 0.841 112 V CB 0.286 32.285 31.823 0.292 0.000 1.003 112 V HN 1.578 nan 8.190 nan 0.000 0.426 113 A N 3.817 126.703 122.820 0.110 0.000 2.826 113 A HA -0.012 4.308 4.320 0.001 0.000 0.274 113 A C 1.845 179.479 177.584 0.084 0.000 1.443 113 A CA 1.558 53.641 52.037 0.077 0.000 0.833 113 A CB -1.516 17.506 19.000 0.037 0.000 1.023 113 A HN 2.623 nan 8.150 nan 0.000 0.600 114 G N -4.024 104.840 108.800 0.108 0.000 2.217 114 G HA2 -0.018 3.942 3.960 0.001 0.000 0.246 114 G HA3 -0.018 3.942 3.960 0.001 0.000 0.246 114 G C 0.365 175.335 174.900 0.115 0.000 0.990 114 G CA 0.389 45.550 45.100 0.100 0.000 0.627 114 G HN 1.799 nan 8.290 nan 0.000 0.522 115 V N 3.753 123.761 119.914 0.157 0.000 2.432 115 V HA 0.467 4.588 4.120 0.001 0.000 0.275 115 V C -1.457 174.771 176.094 0.223 0.000 1.043 115 V CA -1.490 60.935 62.300 0.208 0.000 0.925 115 V CB 1.527 33.534 31.823 0.307 0.000 0.985 115 V HN 0.232 nan 8.190 nan 0.000 0.466 116 P HA 0.078 nan 4.420 nan 0.000 0.271 116 P C -0.415 176.845 177.300 -0.068 0.000 1.220 116 P CA -0.179 62.952 63.100 0.052 0.000 0.768 116 P CB 0.701 32.411 31.700 0.016 0.000 0.848 117 M N 5.961 125.510 119.600 -0.085 0.000 2.162 117 M HA 0.285 4.765 4.480 0.001 0.000 0.356 117 M C -2.358 173.721 176.300 -0.369 0.000 1.303 117 M CA -2.150 52.915 55.300 -0.391 0.000 1.116 117 M CB 0.707 33.303 32.600 -0.006 0.000 1.632 117 M HN 0.101 nan 8.290 nan 0.000 0.469 118 P HA 0.007 nan 4.420 nan 0.000 0.264 118 P C -0.051 177.142 177.300 -0.178 0.000 1.183 118 P CA -0.025 62.894 63.100 -0.302 0.000 0.763 118 P CB 0.451 31.963 31.700 -0.313 0.000 0.807 119 R N 3.150 123.583 120.500 -0.111 0.000 2.091 119 R HA -0.146 4.194 4.340 0.001 0.000 0.238 119 R C 1.483 177.729 176.300 -0.090 0.000 1.136 119 R CA 1.908 57.963 56.100 -0.075 0.000 0.959 119 R CB -1.091 29.176 30.300 -0.056 0.000 0.856 119 R HN 0.667 nan 8.270 nan 0.000 0.437 120 D N 0.246 120.591 120.400 -0.091 0.000 2.310 120 D HA -0.084 4.557 4.640 0.001 0.000 0.212 120 D C 1.457 177.694 176.300 -0.105 0.000 0.965 120 D CA 1.048 54.993 54.000 -0.092 0.000 0.879 120 D CB -0.040 40.717 40.800 -0.073 0.000 0.921 120 D HN 0.154 nan 8.370 nan 0.000 0.510 121 A N 1.107 123.866 122.820 -0.101 0.000 1.970 121 A HA -0.115 4.205 4.320 0.001 0.000 0.216 121 A C 2.133 179.655 177.584 -0.103 0.000 1.170 121 A CA 0.812 52.805 52.037 -0.072 0.000 0.645 121 A CB -0.401 18.579 19.000 -0.033 0.000 0.816 121 A HN 0.189 nan 8.150 nan 0.000 0.447 122 E N 0.005 120.133 120.200 -0.121 0.000 2.065 122 E HA -0.189 4.162 4.350 0.001 0.000 0.201 122 E C -0.777 175.587 176.600 -0.393 0.000 1.016 122 E CA 1.674 57.948 56.400 -0.210 0.000 0.818 122 E CB -0.943 28.633 29.700 -0.207 0.000 0.749 122 E HN 0.554 nan 8.360 nan 0.000 0.453 123 P HA -0.028 nan 4.420 nan 0.000 0.249 123 P C 0.354 177.203 177.300 -0.751 0.000 1.241 123 P CA 0.685 63.495 63.100 -0.483 0.000 0.781 123 P CB 0.281 31.794 31.700 -0.312 0.000 1.088 124 R N -0.810 119.320 120.500 -0.617 0.000 2.334 124 R HA 0.126 4.466 4.340 0.001 0.000 0.216 124 R C 0.240 176.196 176.300 -0.573 0.000 0.905 124 R CA -0.247 55.513 56.100 -0.568 0.000 1.064 124 R CB -0.761 29.413 30.300 -0.211 0.000 1.046 124 R HN 0.368 nan 8.270 nan 0.000 0.508 125 H N -0.842 118.145 119.070 -0.139 0.000 4.671 125 H HA -0.210 4.346 4.556 0.001 0.000 0.255 125 H C -0.751 174.666 175.328 0.147 0.000 0.534 125 H CA 0.313 56.301 56.048 -0.100 0.000 0.679 125 H CB -0.765 28.726 29.762 -0.451 0.000 0.930 125 H HN 0.089 nan 8.280 nan 0.000 0.302 126 L N 1.380 122.882 121.223 0.465 0.000 2.409 126 L HA 0.555 4.896 4.340 0.001 0.000 0.272 126 L C -1.345 175.778 176.870 0.422 0.000 0.980 126 L CA -0.729 54.358 54.840 0.411 0.000 0.826 126 L CB 1.608 43.855 42.059 0.313 0.000 1.268 126 L HN 0.503 nan 8.230 nan 0.000 0.407 127 L N 5.978 127.325 121.223 0.206 0.000 2.305 127 L HA 0.658 4.998 4.340 0.001 0.000 0.284 127 L C -1.145 175.701 176.870 -0.039 0.000 1.013 127 L CA -0.236 54.536 54.840 -0.112 0.000 0.819 127 L CB 1.720 43.624 42.059 -0.257 0.000 1.227 127 L HN 0.429 nan 8.230 nan 0.000 0.417 128 V N 5.339 125.229 119.914 -0.041 0.000 2.328 128 V HA 0.411 4.531 4.120 0.001 0.000 0.278 128 V C -0.170 175.912 176.094 -0.021 0.000 1.021 128 V CA -0.573 61.727 62.300 -0.001 0.000 0.838 128 V CB 1.214 33.063 31.823 0.043 0.000 0.999 128 V HN 0.824 nan 8.190 nan 0.000 0.447 129 N N 3.215 121.906 118.700 -0.015 0.000 2.400 129 N HA 0.795 5.536 4.740 0.001 0.000 0.288 129 N C -0.201 175.316 175.510 0.011 0.000 1.024 129 N CA 0.094 53.136 53.050 -0.013 0.000 0.894 129 N CB 1.703 40.177 38.487 -0.022 0.000 1.173 129 N HN 0.926 nan 8.380 nan 0.000 0.487 130 G N 0.544 109.352 108.800 0.013 0.000 2.387 130 G HA2 0.515 4.475 3.960 0.001 0.000 0.294 130 G HA3 0.515 4.475 3.960 0.001 0.000 0.294 130 G C -1.145 173.767 174.900 0.020 0.000 1.509 130 G CA -0.299 44.814 45.100 0.022 0.000 0.806 130 G HN 0.736 nan 8.290 nan 0.000 0.546 131 A N -0.216 122.617 122.820 0.021 0.000 2.256 131 A HA 0.758 5.078 4.320 0.001 0.000 0.276 131 A C 0.876 178.471 177.584 0.019 0.000 1.259 131 A CA 0.490 52.539 52.037 0.019 0.000 0.813 131 A CB -0.179 18.832 19.000 0.018 0.000 1.200 131 A HN 1.181 nan 8.150 nan 0.000 0.506 132 T N 0.009 114.573 114.554 0.017 0.000 2.817 132 T HA 0.494 4.844 4.350 0.001 0.000 0.293 132 T C 1.063 175.770 174.700 0.013 0.000 0.964 132 T CA 0.919 63.029 62.100 0.016 0.000 1.085 132 T CB 0.871 69.747 68.868 0.013 0.000 0.921 132 T HN 2.013 nan 8.240 nan 0.000 0.502 133 G N 2.545 111.353 108.800 0.013 0.000 2.143 133 G HA2 -0.315 3.646 3.960 0.001 0.000 0.248 133 G HA3 -0.315 3.646 3.960 0.001 0.000 0.248 133 G C 0.824 175.731 174.900 0.012 0.000 0.991 133 G CA 0.513 45.619 45.100 0.010 0.000 0.689 133 G HN 0.956 nan 8.290 nan 0.000 0.522 134 T N -2.805 111.759 114.554 0.016 0.000 3.081 134 T HA 0.461 4.811 4.350 0.001 0.000 0.250 134 T C 1.987 176.697 174.700 0.017 0.000 1.100 134 T CA 1.392 63.501 62.100 0.015 0.000 1.038 134 T CB 0.621 69.500 68.868 0.018 0.000 0.962 134 T HN 2.082 nan 8.240 nan 0.000 0.516 135 G N 1.167 109.981 108.800 0.024 0.000 2.173 135 G HA2 -0.168 3.793 3.960 0.001 0.000 0.142 135 G HA3 -0.168 3.793 3.960 0.001 0.000 0.142 135 G C 0.715 175.642 174.900 0.044 0.000 1.019 135 G CA 0.076 45.195 45.100 0.031 0.000 0.699 135 G HN 0.424 nan 8.290 nan 0.000 0.495 136 K N 0.619 121.045 120.400 0.044 0.000 2.057 136 K HA -0.027 4.293 4.320 0.001 0.000 0.207 136 K C 2.590 179.230 176.600 0.068 0.000 1.049 136 K CA 1.648 57.970 56.287 0.058 0.000 0.931 136 K CB -0.169 32.364 32.500 0.055 0.000 0.714 136 K HN 0.322 nan 8.250 nan 0.000 0.440 137 S N 0.665 116.397 115.700 0.054 0.000 2.368 137 S HA -0.105 4.366 4.470 0.001 0.000 0.225 137 S C 2.081 176.722 174.600 0.069 0.000 1.030 137 S CA 1.063 59.294 58.200 0.051 0.000 0.999 137 S CB -0.150 63.068 63.200 0.030 0.000 0.844 137 S HN 0.041 nan 8.310 nan 0.000 0.459 138 V N 1.858 121.819 119.914 0.078 0.000 2.343 138 V HA -0.134 3.986 4.120 0.001 0.000 0.247 138 V C 2.164 178.332 176.094 0.122 0.000 1.051 138 V CA 1.496 63.862 62.300 0.111 0.000 1.036 138 V CB -0.566 31.312 31.823 0.093 0.000 0.654 138 V HN 0.394 nan 8.190 nan 0.000 0.451 139 L N -1.005 120.279 121.223 0.101 0.000 2.027 139 L HA -0.166 4.174 4.340 0.001 0.000 0.206 139 L C 2.318 179.263 176.870 0.124 0.000 1.074 139 L CA 1.594 56.499 54.840 0.109 0.000 0.745 139 L CB -0.162 41.953 42.059 0.092 0.000 0.898 139 L HN 0.201 nan 8.230 nan 0.000 0.433 140 L N -0.272 121.028 121.223 0.127 0.000 2.046 140 L HA -0.208 4.133 4.340 0.001 0.000 0.208 140 L C 2.708 179.605 176.870 0.046 0.000 1.077 140 L CA 1.678 56.612 54.840 0.156 0.000 0.747 140 L CB -0.619 41.536 42.059 0.160 0.000 0.896 140 L HN 0.155 nan 8.230 nan 0.000 0.432 141 R N -0.711 119.813 120.500 0.040 0.000 2.073 141 R HA -0.213 4.127 4.340 0.001 0.000 0.234 141 R C 2.272 178.579 176.300 0.012 0.000 1.134 141 R CA 1.723 57.825 56.100 0.004 0.000 0.952 141 R CB -0.313 29.963 30.300 -0.040 0.000 0.850 141 R HN 0.464 nan 8.270 nan 0.000 0.433 142 E N 0.819 121.107 120.200 0.147 0.000 2.110 142 E HA -0.199 4.151 4.350 0.001 0.000 0.193 142 E C 2.032 178.706 176.600 0.123 0.000 0.988 142 E CA 0.826 57.373 56.400 0.246 0.000 0.804 142 E CB -0.029 29.812 29.700 0.234 0.000 0.745 142 E HN 0.303 nan 8.360 nan 0.000 0.458 143 L N 0.335 121.588 121.223 0.050 0.000 1.994 143 L HA -0.151 4.189 4.340 0.001 0.000 0.208 143 L C 2.573 179.325 176.870 -0.196 0.000 1.071 143 L CA 1.423 56.247 54.840 -0.027 0.000 0.745 143 L CB -0.400 41.707 42.059 0.080 0.000 0.892 143 L HN 0.263 nan 8.230 nan 0.000 0.431 144 A N -0.910 121.729 122.820 -0.301 0.000 1.877 144 A HA -0.320 4.000 4.320 0.001 0.000 0.216 144 A C 2.123 179.301 177.584 -0.677 0.000 1.186 144 A CA 1.844 53.489 52.037 -0.653 0.000 0.620 144 A CB -1.086 17.302 19.000 -1.020 0.000 0.822 144 A HN 0.605 nan 8.150 nan 0.000 0.443 145 Y N 2.101 121.936 120.300 -0.775 0.000 2.070 145 Y HA -0.268 4.283 4.550 0.001 0.000 0.280 145 Y C 2.828 178.594 175.900 -0.224 0.000 1.148 145 Y CA 2.713 60.501 58.100 -0.519 0.000 1.125 145 Y CB -1.068 37.352 38.460 -0.067 0.000 0.975 145 Y HN 0.423 nan 8.280 nan 0.000 0.492 146 T N -2.435 111.914 114.554 -0.342 0.000 2.929 146 T HA -0.048 4.302 4.350 0.001 0.000 0.271 146 T C 2.132 176.660 174.700 -0.287 0.000 1.085 146 T CA 1.039 62.921 62.100 -0.364 0.000 1.125 146 T CB -1.166 67.627 68.868 -0.125 0.000 0.874 146 T HN 0.440 nan 8.240 nan 0.000 0.494 147 G N 1.391 110.001 108.800 -0.315 0.000 2.408 147 G HA2 0.083 4.043 3.960 0.001 0.000 0.215 147 G HA3 0.083 4.043 3.960 0.001 0.000 0.215 147 G C 1.463 176.248 174.900 -0.192 0.000 1.156 147 G CA 0.283 45.221 45.100 -0.271 0.000 0.793 147 G HN 0.505 nan 8.290 nan 0.000 0.535 148 L N 0.123 121.188 121.223 -0.265 0.000 2.093 148 L HA 0.060 4.401 4.340 0.001 0.000 0.208 148 L C 2.781 179.565 176.870 -0.144 0.000 1.085 148 L CA 0.392 55.127 54.840 -0.174 0.000 0.755 148 L CB -0.357 41.582 42.059 -0.200 0.000 0.904 148 L HN 0.146 nan 8.230 nan 0.000 0.435 149 L N -0.377 120.694 121.223 -0.253 0.000 2.187 149 L HA -0.215 4.126 4.340 0.001 0.000 0.213 149 L C 2.621 179.423 176.870 -0.114 0.000 1.100 149 L CA 1.137 55.846 54.840 -0.218 0.000 0.765 149 L CB -0.403 41.435 42.059 -0.369 0.000 0.904 149 L HN 0.261 nan 8.230 nan 0.000 0.437 150 R N -0.081 120.362 120.500 -0.094 0.000 2.297 150 R HA 0.036 4.377 4.340 0.001 0.000 0.197 150 R C 1.150 177.447 176.300 -0.004 0.000 0.943 150 R CA 0.664 56.745 56.100 -0.033 0.000 1.038 150 R CB 0.256 30.554 30.300 -0.004 0.000 0.957 150 R HN 0.355 nan 8.270 nan 0.000 0.484 151 G N 1.223 110.018 108.800 -0.009 0.000 2.132 151 G HA2 -0.228 3.733 3.960 0.001 0.000 0.234 151 G HA3 -0.228 3.733 3.960 0.001 0.000 0.234 151 G C -0.700 174.225 174.900 0.041 0.000 0.989 151 G CA 0.203 45.311 45.100 0.014 0.000 0.676 151 G HN 0.393 nan 8.290 nan 0.000 0.522 152 D N -0.008 120.434 120.400 0.070 0.000 2.357 152 D HA 0.538 5.179 4.640 0.001 0.000 0.242 152 D C 1.148 177.535 176.300 0.145 0.000 1.153 152 D CA 0.154 54.249 54.000 0.158 0.000 0.918 152 D CB 0.506 41.500 40.800 0.323 0.000 1.181 152 D HN 0.411 nan 8.370 nan 0.000 0.435 153 R N 0.632 121.235 120.500 0.172 0.000 2.643 153 R HA 0.766 5.107 4.340 0.001 0.000 0.272 153 R C -0.268 176.195 176.300 0.271 0.000 0.995 153 R CA -0.756 55.431 56.100 0.145 0.000 1.032 153 R CB 1.264 31.573 30.300 0.016 0.000 1.126 153 R HN 0.485 nan 8.270 nan 0.000 0.505 154 M N -0.807 118.958 119.600 0.274 0.000 2.534 154 M HA 0.409 4.889 4.480 0.001 0.000 0.280 154 M C -1.380 175.095 176.300 0.291 0.000 1.217 154 M CA -1.202 54.308 55.300 0.349 0.000 0.893 154 M CB 2.039 34.856 32.600 0.361 0.000 1.730 154 M HN 0.131 nan 8.290 nan 0.000 0.483 155 V N 3.172 123.272 119.914 0.311 0.000 2.384 155 V HA 0.579 4.699 4.120 0.001 0.000 0.287 155 V C -0.524 175.660 176.094 0.149 0.000 1.020 155 V CA -0.394 61.997 62.300 0.153 0.000 0.850 155 V CB 1.665 33.606 31.823 0.198 0.000 0.987 155 V HN 0.701 nan 8.190 nan 0.000 0.436 156 I N 5.126 125.664 120.570 -0.053 0.000 2.389 156 I HA 0.368 4.539 4.170 0.001 0.000 0.288 156 I C -0.317 175.889 176.117 0.149 0.000 0.999 156 I CA -0.886 60.436 61.300 0.036 0.000 1.129 156 I CB 2.089 39.953 38.000 -0.226 0.000 1.288 156 I HN 0.239 nan 8.210 nan 0.000 0.444 157 V N 4.984 125.061 119.914 0.272 0.000 2.387 157 V HA 0.071 4.192 4.120 0.001 0.000 0.260 157 V C -0.196 176.146 176.094 0.414 0.000 1.054 157 V CA 0.176 62.719 62.300 0.404 0.000 0.967 157 V CB 0.666 32.718 31.823 0.381 0.000 1.036 157 V HN 0.632 nan 8.190 nan 0.000 0.481 158 D N 7.480 128.127 120.400 0.412 0.000 2.464 158 D HA 0.388 5.029 4.640 0.001 0.000 0.243 158 D C -2.754 173.337 176.300 -0.349 0.000 1.104 158 D CA -2.187 51.883 54.000 0.118 0.000 0.883 158 D CB 1.907 42.842 40.800 0.225 0.000 1.050 158 D HN 0.245 nan 8.370 nan 0.000 0.524 159 P HA 0.168 nan 4.420 nan 0.000 0.267 159 P C -0.064 176.853 177.300 -0.639 0.000 1.205 159 P CA -0.044 62.338 63.100 -1.197 0.000 0.765 159 P CB 0.472 31.761 31.700 -0.685 0.000 0.828 160 N N 2.660 120.971 118.700 -0.648 0.000 2.863 160 N HA -0.201 4.539 4.740 0.001 0.000 0.245 160 N C 0.932 176.325 175.510 -0.196 0.000 1.001 160 N CA 1.779 54.621 53.050 -0.347 0.000 0.901 160 N CB -1.784 36.541 38.487 -0.270 0.000 1.124 160 N HN 0.831 nan 8.380 nan 0.000 0.582 161 G N 0.056 108.757 108.800 -0.166 0.000 2.179 161 G HA2 -0.347 3.613 3.960 0.001 0.000 0.257 161 G HA3 -0.347 3.613 3.960 0.001 0.000 0.257 161 G C 0.660 175.497 174.900 -0.106 0.000 1.010 161 G CA 0.773 45.825 45.100 -0.080 0.000 0.736 161 G HN 0.481 nan 8.290 nan 0.000 0.513 162 D N -0.014 120.317 120.400 -0.116 0.000 2.104 162 D HA -0.102 4.538 4.640 0.001 0.000 0.194 162 D C 2.605 178.828 176.300 -0.129 0.000 0.994 162 D CA 1.334 55.263 54.000 -0.120 0.000 0.830 162 D CB -0.078 40.657 40.800 -0.109 0.000 0.959 162 D HN 0.397 nan 8.370 nan 0.000 0.452 163 M N 0.189 119.768 119.600 -0.034 0.000 2.175 163 M HA -0.090 4.391 4.480 0.001 0.000 0.264 163 M C 2.314 178.640 176.300 0.044 0.000 1.063 163 M CA 0.543 55.894 55.300 0.085 0.000 1.119 163 M CB -0.741 32.025 32.600 0.277 0.000 1.377 163 M HN 0.061 nan 8.290 nan 0.000 0.415 164 L N 0.912 122.020 121.223 -0.192 0.000 1.976 164 L HA -0.175 4.166 4.340 0.001 0.000 0.209 164 L C 2.665 179.262 176.870 -0.456 0.000 1.071 164 L CA 2.549 56.913 54.840 -0.793 0.000 0.746 164 L CB -1.088 40.592 42.059 -0.632 0.000 0.890 164 L HN 0.423 nan 8.230 nan 0.000 0.432 165 S N -1.291 114.233 115.700 -0.293 0.000 2.420 165 S HA -0.186 4.284 4.470 0.001 0.000 0.237 165 S C 1.865 176.308 174.600 -0.263 0.000 1.023 165 S CA 1.217 59.279 58.200 -0.231 0.000 0.991 165 S CB -0.505 62.594 63.200 -0.168 0.000 0.792 165 S HN 0.533 nan 8.310 nan 0.000 0.488 166 K N -0.024 120.140 120.400 -0.393 0.000 2.244 166 K HA 0.257 4.578 4.320 0.001 0.000 0.200 166 K C 0.740 176.969 176.600 -0.618 0.000 1.052 166 K CA 0.643 56.560 56.287 -0.616 0.000 0.980 166 K CB -0.250 31.595 32.500 -1.091 0.000 0.838 166 K HN 0.565 nan 8.250 nan 0.000 0.481 167 F N 0.688 120.599 119.950 -0.065 0.000 2.706 167 F HA 0.309 4.836 4.527 0.001 0.000 0.313 167 F C 1.142 176.973 175.800 0.051 0.000 1.096 167 F CA -1.003 57.015 58.000 0.030 0.000 1.219 167 F CB -0.078 38.975 39.000 0.090 0.000 1.051 167 F HN -0.176 nan 8.300 nan 0.000 0.568 168 G N 1.583 110.355 108.800 -0.045 0.000 2.365 168 G HA2 0.433 4.393 3.960 0.001 0.000 0.249 168 G HA3 0.433 4.393 3.960 0.001 0.000 0.249 168 G C 0.113 175.013 174.900 -0.001 0.000 1.288 168 G CA -0.304 44.700 45.100 -0.161 0.000 0.887 168 G HN 0.171 nan 8.290 nan 0.000 0.524 169 R N 1.103 121.652 120.500 0.081 0.000 2.875 169 R HA 0.300 4.641 4.340 0.001 0.000 0.251 169 R C 0.403 176.734 176.300 0.052 0.000 1.123 169 R CA -0.962 55.184 56.100 0.078 0.000 1.064 169 R CB 1.342 31.712 30.300 0.118 0.000 1.205 169 R HN 0.481 nan 8.270 nan 0.000 0.503 170 D N 1.275 121.702 120.400 0.045 0.000 2.183 170 D HA -0.135 4.505 4.640 0.001 0.000 0.203 170 D C 1.204 177.534 176.300 0.050 0.000 0.969 170 D CA 1.388 55.407 54.000 0.031 0.000 0.842 170 D CB 0.215 41.030 40.800 0.025 0.000 0.957 170 D HN 0.473 nan 8.370 nan 0.000 0.484 171 K N 0.877 121.323 120.400 0.078 0.000 2.432 171 K HA -0.012 4.309 4.320 0.001 0.000 0.196 171 K C 0.330 177.014 176.600 0.141 0.000 1.038 171 K CA 0.312 56.659 56.287 0.100 0.000 0.986 171 K CB 0.181 32.744 32.500 0.105 0.000 0.782 171 K HN -0.103 nan 8.250 nan 0.000 0.485 172 D N 1.510 122.002 120.400 0.154 0.000 2.362 172 D HA 0.115 4.756 4.640 0.001 0.000 0.242 172 D C 0.231 176.603 176.300 0.119 0.000 1.132 172 D CA -0.100 54.029 54.000 0.215 0.000 0.907 172 D CB 0.803 41.797 40.800 0.323 0.000 1.195 172 D HN -0.025 nan 8.370 nan 0.000 0.429 173 I N 1.427 122.049 120.570 0.086 0.000 2.498 173 I HA 0.387 4.558 4.170 0.001 0.000 0.301 173 I C 0.475 176.510 176.117 -0.136 0.000 0.984 173 I CA -0.543 60.657 61.300 -0.168 0.000 1.204 173 I CB 0.948 38.652 38.000 -0.493 0.000 1.362 173 I HN 0.181 nan 8.210 nan 0.000 0.471 174 I N 5.721 126.146 120.570 -0.242 0.000 2.498 174 I HA 0.389 4.559 4.170 0.001 0.000 0.290 174 I C -0.857 175.071 176.117 -0.315 0.000 1.032 174 I CA -0.521 60.676 61.300 -0.172 0.000 1.073 174 I CB 2.409 40.349 38.000 -0.100 0.000 1.251 174 I HN 0.234 nan 8.210 nan 0.000 0.426 175 L N 6.434 127.445 121.223 -0.354 0.000 2.342 175 L HA 0.546 4.886 4.340 0.001 0.000 0.276 175 L C -0.801 175.956 176.870 -0.188 0.000 0.997 175 L CA -0.355 54.131 54.840 -0.590 0.000 0.838 175 L CB 1.393 42.618 42.059 -1.391 0.000 1.224 175 L HN 0.545 nan 8.230 nan 0.000 0.416 176 N N 5.005 123.753 118.700 0.079 0.000 3.063 176 N HA 0.148 4.888 4.740 0.001 0.000 0.242 176 N C -2.392 173.274 175.510 0.261 0.000 1.146 176 N CA -1.002 52.244 53.050 0.327 0.000 0.974 176 N CB 2.168 40.845 38.487 0.316 0.000 1.584 176 N HN 0.080 nan 8.380 nan 0.000 0.636 177 P HA -0.093 nan 4.420 nan 0.000 0.223 177 P C 0.161 177.287 177.300 -0.290 0.000 1.144 177 P CA 1.292 64.350 63.100 -0.071 0.000 0.783 177 P CB 0.061 31.625 31.700 -0.227 0.000 0.771 178 Y N -1.073 119.366 120.300 0.231 0.000 2.607 178 Y HA 0.301 4.851 4.550 0.001 0.000 0.266 178 Y C 0.770 176.824 175.900 0.257 0.000 1.178 178 Y CA -0.697 57.558 58.100 0.258 0.000 1.226 178 Y CB 0.149 38.806 38.460 0.329 0.000 1.144 178 Y HN -0.074 nan 8.280 nan 0.000 0.528 179 D N 0.840 121.382 120.400 0.236 0.000 2.308 179 D HA 0.038 4.678 4.640 0.001 0.000 0.242 179 D C 0.733 177.004 176.300 -0.050 0.000 1.059 179 D CA -0.142 53.871 54.000 0.021 0.000 0.830 179 D CB 1.682 42.544 40.800 0.103 0.000 1.161 179 D HN 0.219 nan 8.370 nan 0.000 0.494 180 Q N 3.236 122.956 119.800 -0.132 0.000 2.234 180 Q HA -0.173 4.167 4.340 0.001 0.000 0.206 180 Q C 1.035 176.990 176.000 -0.074 0.000 0.980 180 Q CA 1.323 57.069 55.803 -0.095 0.000 0.869 180 Q CB 0.295 28.961 28.738 -0.120 0.000 0.912 180 Q HN 0.450 nan 8.270 nan 0.000 0.436 181 R N -0.147 120.302 120.500 -0.085 0.000 2.297 181 R HA 0.068 4.409 4.340 0.001 0.000 0.197 181 R C 0.960 177.209 176.300 -0.085 0.000 0.943 181 R CA 0.264 56.317 56.100 -0.079 0.000 1.038 181 R CB -0.002 30.245 30.300 -0.088 0.000 0.957 181 R HN 0.057 nan 8.270 nan 0.000 0.484 182 T N 1.127 115.640 114.554 -0.069 0.000 2.906 182 T HA -0.016 4.335 4.350 0.001 0.000 0.320 182 T C 0.319 174.952 174.700 -0.111 0.000 1.088 182 T CA 0.102 62.146 62.100 -0.093 0.000 1.120 182 T CB 0.467 69.318 68.868 -0.028 0.000 1.000 182 T HN -0.117 nan 8.240 nan 0.000 0.550 183 K N 2.029 122.308 120.400 -0.202 0.000 2.090 183 K HA 0.464 4.784 4.320 0.001 0.000 0.250 183 K C 0.592 177.200 176.600 0.013 0.000 1.004 183 K CA -0.400 55.782 56.287 -0.175 0.000 0.919 183 K CB 1.040 33.233 32.500 -0.511 0.000 1.045 183 K HN 0.803 nan 8.250 nan 0.000 0.471 184 G N 0.215 109.088 108.800 0.122 0.000 2.395 184 G HA2 0.390 4.351 3.960 0.001 0.000 0.283 184 G HA3 0.390 4.351 3.960 0.001 0.000 0.283 184 G C -1.366 173.776 174.900 0.403 0.000 1.178 184 G CA -0.320 44.907 45.100 0.212 0.000 0.837 184 G HN 0.600 nan 8.290 nan 0.000 0.518 185 W N 1.105 122.519 121.300 0.190 0.000 3.153 185 W HA 0.549 5.209 4.660 0.001 0.000 0.316 185 W C -0.775 175.911 176.519 0.278 0.000 1.255 185 W CA -0.580 56.918 57.345 0.255 0.000 1.192 185 W CB 1.576 31.232 29.460 0.327 0.000 1.400 185 W HN 0.967 nan 8.180 nan 0.000 0.568 186 S N 3.383 118.583 115.700 -0.835 0.000 2.547 186 S HA 0.335 4.805 4.470 0.001 0.000 0.270 186 S C 0.006 173.692 174.600 -1.524 0.000 1.150 186 S CA -0.231 57.489 58.200 -0.799 0.000 0.850 186 S CB 0.318 63.453 63.200 -0.108 0.000 1.118 186 S HN 1.109 nan 8.310 nan 0.000 0.461 187 F N 2.073 121.317 119.950 -1.177 0.000 2.408 187 F HA 0.223 4.751 4.527 0.001 0.000 0.300 187 F C 1.065 176.575 175.800 -0.483 0.000 1.090 187 F CA 0.508 58.093 58.000 -0.692 0.000 1.427 187 F CB -0.790 38.079 39.000 -0.217 0.000 1.070 187 F HN 0.494 nan 8.300 nan 0.000 0.549 188 F N 1.681 120.956 119.950 -1.126 0.000 2.171 188 F HA -0.166 4.362 4.527 0.002 0.000 0.300 188 F C 1.977 177.420 175.800 -0.594 0.000 1.090 188 F CA 1.476 58.940 58.000 -0.893 0.000 1.293 188 F CB -1.015 37.646 39.000 -0.564 0.000 1.013 188 F HN 0.018 nan 8.300 nan 0.000 0.486 189 N N 0.278 118.776 118.700 -0.335 0.000 2.513 189 N HA -0.138 4.602 4.740 0.001 0.000 0.187 189 N C 1.172 176.518 175.510 -0.272 0.000 1.056 189 N CA 0.924 53.819 53.050 -0.260 0.000 0.907 189 N CB -0.361 37.986 38.487 -0.232 0.000 0.954 189 N HN 0.402 nan 8.380 nan 0.000 0.445 190 E N -0.141 119.824 120.200 -0.391 0.000 2.481 190 E HA 0.120 4.470 4.350 0.001 0.000 0.198 190 E C 0.187 176.441 176.600 -0.577 0.000 1.027 190 E CA -0.140 55.961 56.400 -0.498 0.000 0.900 190 E CB 0.716 29.954 29.700 -0.769 0.000 0.993 190 E HN 0.202 nan 8.360 nan 0.000 0.482 191 I N 1.830 122.075 120.570 -0.541 0.000 2.379 191 I HA 0.145 4.315 4.170 0.001 0.000 0.290 191 I C 1.407 177.292 176.117 -0.387 0.000 1.063 191 I CA 0.307 61.258 61.300 -0.583 0.000 1.351 191 I CB 0.712 38.142 38.000 -0.951 0.000 1.410 191 I HN -0.058 nan 8.210 nan 0.000 0.505 192 R N 3.568 123.875 120.500 -0.322 0.000 2.243 192 R HA 0.251 4.591 4.340 0.001 0.000 0.193 192 R C 0.236 176.429 176.300 -0.178 0.000 0.933 192 R CA 0.026 56.005 56.100 -0.201 0.000 1.105 192 R CB 0.568 30.785 30.300 -0.138 0.000 1.169 192 R HN 0.606 nan 8.270 nan 0.000 0.599 193 N N 0.161 118.702 118.700 -0.265 0.000 2.545 193 N HA 0.036 4.776 4.740 0.001 0.000 0.289 193 N C -0.283 175.108 175.510 -0.199 0.000 1.279 193 N CA -0.342 52.599 53.050 -0.182 0.000 0.824 193 N CB 1.575 39.968 38.487 -0.157 0.000 1.395 193 N HN -0.120 nan 8.380 nan 0.000 0.526 194 D N -0.181 120.236 120.400 0.028 0.000 2.144 194 D HA -0.170 4.470 4.640 0.001 0.000 0.200 194 D C 1.627 178.052 176.300 0.207 0.000 0.978 194 D CA 1.376 55.500 54.000 0.205 0.000 0.833 194 D CB -0.039 40.913 40.800 0.253 0.000 0.961 194 D HN 0.649 nan 8.370 nan 0.000 0.470 195 Y N -0.990 119.384 120.300 0.124 0.000 2.632 195 Y HA 0.133 4.684 4.550 0.001 0.000 0.301 195 Y C 0.999 176.955 175.900 0.093 0.000 1.172 195 Y CA 0.383 58.550 58.100 0.111 0.000 1.328 195 Y CB -0.381 38.119 38.460 0.067 0.000 1.016 195 Y HN -0.158 nan 8.280 nan 0.000 0.529 196 D N -0.142 120.020 120.400 -0.397 0.000 2.347 196 D HA -0.073 4.567 4.640 0.001 0.000 0.213 196 D C 1.173 177.472 176.300 -0.002 0.000 0.985 196 D CA 0.714 54.564 54.000 -0.251 0.000 0.879 196 D CB -0.410 40.198 40.800 -0.320 0.000 0.919 196 D HN 0.560 nan 8.370 nan 0.000 0.526 197 W N 0.926 122.295 121.300 0.115 0.000 2.379 197 W HA -0.142 4.518 4.660 -0.000 0.000 0.307 197 W C 2.544 179.151 176.519 0.147 0.000 1.200 197 W CA 0.329 57.772 57.345 0.163 0.000 1.297 197 W CB -0.135 29.399 29.460 0.123 0.000 1.140 197 W HN -0.056 nan 8.180 nan 0.000 0.507 198 Q N 1.119 121.118 119.800 0.332 0.000 2.123 198 Q HA -0.125 4.215 4.340 0.001 0.000 0.199 198 Q C 2.135 178.199 176.000 0.106 0.000 0.966 198 Q CA 1.592 57.514 55.803 0.199 0.000 0.845 198 Q CB -0.545 28.290 28.738 0.162 0.000 0.907 198 Q HN 0.212 nan 8.270 nan 0.000 0.439 199 R N -1.130 119.401 120.500 0.052 0.000 2.096 199 R HA -0.187 4.154 4.340 0.001 0.000 0.240 199 R C 1.235 177.336 176.300 -0.332 0.000 1.139 199 R CA 1.859 57.861 56.100 -0.162 0.000 0.952 199 R CB -0.256 29.882 30.300 -0.270 0.000 0.854 199 R HN 0.371 nan 8.270 nan 0.000 0.436 200 Y N -0.986 119.382 120.300 0.114 0.000 2.466 200 Y HA 0.260 4.811 4.550 0.001 0.000 0.272 200 Y C 1.863 177.805 175.900 0.070 0.000 1.169 200 Y CA 0.339 58.522 58.100 0.139 0.000 1.285 200 Y CB 0.335 38.925 38.460 0.217 0.000 1.078 200 Y HN 0.197 nan 8.280 nan 0.000 0.523 201 A N -0.593 122.305 122.820 0.132 0.000 2.072 201 A HA -0.025 4.295 4.320 0.001 0.000 0.216 201 A C 1.872 179.453 177.584 -0.006 0.000 1.156 201 A CA 0.836 52.879 52.037 0.010 0.000 0.701 201 A CB -0.440 18.601 19.000 0.069 0.000 0.816 201 A HN 0.312 nan 8.150 nan 0.000 0.458 202 L N -0.126 121.105 121.223 0.014 0.000 2.217 202 L HA 0.005 4.345 4.340 0.001 0.000 0.211 202 L C 2.410 179.287 176.870 0.011 0.000 1.107 202 L CA 1.761 56.601 54.840 0.000 0.000 0.783 202 L CB -0.841 41.209 42.059 -0.014 0.000 0.919 202 L HN 0.317 nan 8.230 nan 0.000 0.442 203 S N -1.572 114.156 115.700 0.047 0.000 2.406 203 S HA -0.034 4.436 4.470 0.001 0.000 0.224 203 S C 1.969 176.618 174.600 0.081 0.000 1.030 203 S CA 0.783 59.047 58.200 0.108 0.000 0.958 203 S CB 0.107 63.462 63.200 0.258 0.000 0.811 203 S HN 0.219 nan 8.310 nan 0.000 0.489 204 V N 1.361 121.281 119.914 0.010 0.000 2.548 204 V HA 0.039 4.160 4.120 0.001 0.000 0.249 204 V C 0.580 176.599 176.094 -0.125 0.000 1.055 204 V CA 0.897 63.120 62.300 -0.128 0.000 1.065 204 V CB -0.278 31.294 31.823 -0.420 0.000 0.681 204 V HN 0.263 nan 8.190 nan 0.000 0.462 205 V N 3.152 123.017 119.914 -0.082 0.000 2.289 205 V HA 0.337 4.457 4.120 0.001 0.000 0.272 205 V C -2.206 173.874 176.094 -0.022 0.000 1.026 205 V CA -1.760 60.511 62.300 -0.048 0.000 0.807 205 V CB 0.955 32.755 31.823 -0.038 0.000 1.044 205 V HN 0.268 nan 8.190 nan 0.000 0.443 206 P HA 0.147 nan 4.420 nan 0.000 0.271 206 P C -0.245 177.032 177.300 -0.039 0.000 1.244 206 P CA -0.457 62.627 63.100 -0.026 0.000 0.793 206 P CB 0.814 32.492 31.700 -0.037 0.000 0.984 207 R N 0.025 120.491 120.500 -0.058 0.000 2.570 207 R HA 0.231 4.572 4.340 0.001 0.000 0.277 207 R C 1.043 177.288 176.300 -0.091 0.000 1.039 207 R CA 0.233 56.291 56.100 -0.071 0.000 1.065 207 R CB -0.694 29.561 30.300 -0.075 0.000 0.964 207 R HN 0.621 nan 8.270 nan 0.000 0.428 208 G N 1.343 110.095 108.800 -0.081 0.000 2.544 208 G HA2 -0.018 3.943 3.960 0.001 0.000 0.242 208 G HA3 -0.018 3.943 3.960 0.001 0.000 0.242 208 G C 0.816 175.650 174.900 -0.110 0.000 1.247 208 G CA -0.392 44.657 45.100 -0.085 0.000 0.840 208 G HN 0.602 nan 8.290 nan 0.000 0.578 209 K N -0.425 119.915 120.400 -0.100 0.000 2.057 209 K HA -0.054 4.266 4.320 0.001 0.000 0.206 209 K C 1.500 178.041 176.600 -0.098 0.000 1.050 209 K CA 1.534 57.761 56.287 -0.099 0.000 0.935 209 K CB -0.098 32.360 32.500 -0.071 0.000 0.715 209 K HN 0.670 nan 8.250 nan 0.000 0.439 210 T N -2.456 112.022 114.554 -0.127 0.000 2.949 210 T HA 0.193 4.544 4.350 0.001 0.000 0.287 210 T C 0.286 174.873 174.700 -0.189 0.000 1.034 210 T CA -0.758 61.255 62.100 -0.145 0.000 1.018 210 T CB 1.465 70.236 68.868 -0.162 0.000 1.135 210 T HN -0.023 nan 8.240 nan 0.000 0.532 211 D N -0.271 120.023 120.400 -0.176 0.000 2.219 211 D HA -0.048 4.593 4.640 0.001 0.000 0.205 211 D C 1.803 177.928 176.300 -0.292 0.000 0.970 211 D CA 0.913 54.800 54.000 -0.187 0.000 0.851 211 D CB 0.067 40.785 40.800 -0.136 0.000 0.943 211 D HN 0.832 nan 8.370 nan 0.000 0.488 212 E N 0.483 120.450 120.200 -0.387 0.000 2.107 212 E HA -0.107 4.243 4.350 0.001 0.000 0.191 212 E C 1.981 177.901 176.600 -1.134 0.000 0.982 212 E CA 0.856 56.866 56.400 -0.650 0.000 0.809 212 E CB -0.012 29.321 29.700 -0.612 0.000 0.756 212 E HN 0.238 nan 8.360 nan 0.000 0.459 213 A N 0.836 123.125 122.820 -0.886 0.000 1.969 213 A HA -0.162 4.158 4.320 0.001 0.000 0.218 213 A C 2.004 179.425 177.584 -0.271 0.000 1.169 213 A CA 1.561 53.220 52.037 -0.630 0.000 0.635 213 A CB -0.391 18.460 19.000 -0.249 0.000 0.810 213 A HN 0.283 nan 8.150 nan 0.000 0.445 214 E N 0.459 120.496 120.200 -0.272 0.000 2.208 214 E HA -0.142 4.208 4.350 0.001 0.000 0.193 214 E C 1.836 178.312 176.600 -0.208 0.000 0.988 214 E CA 1.345 57.642 56.400 -0.171 0.000 0.828 214 E CB -0.275 29.335 29.700 -0.151 0.000 0.763 214 E HN 0.696 nan 8.360 nan 0.000 0.478 215 E N -0.589 119.415 120.200 -0.327 0.000 2.031 215 E HA -0.175 4.176 4.350 0.001 0.000 0.193 215 E C 1.459 177.841 176.600 -0.363 0.000 0.994 215 E CA 1.384 57.550 56.400 -0.389 0.000 0.800 215 E CB -0.250 29.223 29.700 -0.378 0.000 0.752 215 E HN 0.365 nan 8.360 nan 0.000 0.447 216 W N 0.449 121.668 121.300 -0.135 0.000 2.358 216 W HA -0.038 4.623 4.660 0.001 0.000 0.303 216 W C 2.477 179.012 176.519 0.027 0.000 1.208 216 W CA 0.891 58.265 57.345 0.049 0.000 1.274 216 W CB -1.315 28.213 29.460 0.112 0.000 1.138 216 W HN 0.221 nan 8.180 nan 0.000 0.515 217 A N 0.199 123.136 122.820 0.194 0.000 1.972 217 A HA -0.179 4.142 4.320 0.001 0.000 0.219 217 A C 2.234 179.853 177.584 0.059 0.000 1.169 217 A CA 2.245 54.349 52.037 0.110 0.000 0.635 217 A CB -0.970 18.055 19.000 0.042 0.000 0.810 217 A HN 0.181 nan 8.150 nan 0.000 0.446 218 S N -1.229 114.447 115.700 -0.040 0.000 2.382 218 S HA -0.126 4.344 4.470 0.001 0.000 0.228 218 S C 1.817 176.466 174.600 0.081 0.000 1.027 218 S CA 1.438 59.602 58.200 -0.059 0.000 0.991 218 S CB -0.500 62.576 63.200 -0.206 0.000 0.823 218 S HN 0.668 nan 8.310 nan 0.000 0.469 219 Y N 1.731 122.147 120.300 0.194 0.000 2.200 219 Y HA 0.028 4.579 4.550 0.001 0.000 0.290 219 Y C 2.726 178.773 175.900 0.244 0.000 1.137 219 Y CA 0.255 58.534 58.100 0.298 0.000 1.163 219 Y CB -1.412 37.258 38.460 0.349 0.000 0.988 219 Y HN 0.296 nan 8.280 nan 0.000 0.518 220 G N 0.025 109.006 108.800 0.301 0.000 2.440 220 G HA2 -0.246 3.715 3.960 0.001 0.000 0.218 220 G HA3 -0.246 3.715 3.960 0.001 0.000 0.218 220 G C 1.815 176.781 174.900 0.110 0.000 1.154 220 G CA 0.837 46.028 45.100 0.152 0.000 0.767 220 G HN 0.312 nan 8.290 nan 0.000 0.552 221 R N -0.509 120.056 120.500 0.109 0.000 2.115 221 R HA 0.052 4.392 4.340 0.001 0.000 0.230 221 R C 2.443 178.814 176.300 0.117 0.000 1.111 221 R CA 0.933 57.080 56.100 0.077 0.000 0.976 221 R CB -0.475 29.861 30.300 0.060 0.000 0.870 221 R HN 0.397 nan 8.270 nan 0.000 0.445 222 L N 1.008 122.342 121.223 0.186 0.000 2.027 222 L HA -0.124 4.217 4.340 0.001 0.000 0.206 222 L C 2.046 179.055 176.870 0.230 0.000 1.074 222 L CA 1.531 56.492 54.840 0.202 0.000 0.745 222 L CB -0.574 41.633 42.059 0.247 0.000 0.898 222 L HN 0.083 nan 8.230 nan 0.000 0.433 223 L N -0.801 120.593 121.223 0.285 0.000 2.046 223 L HA -0.141 4.199 4.340 0.001 0.000 0.208 223 L C 2.340 179.252 176.870 0.071 0.000 1.077 223 L CA 1.917 56.846 54.840 0.150 0.000 0.747 223 L CB -1.019 41.000 42.059 -0.068 0.000 0.896 223 L HN 0.442 nan 8.230 nan 0.000 0.432 224 L N 0.357 121.611 121.223 0.051 0.000 1.989 224 L HA -0.214 4.127 4.340 0.001 0.000 0.211 224 L C 2.834 179.740 176.870 0.060 0.000 1.071 224 L CA 2.398 57.252 54.840 0.023 0.000 0.749 224 L CB -0.779 41.251 42.059 -0.049 0.000 0.890 224 L HN 0.520 nan 8.230 nan 0.000 0.431 225 R N -1.322 119.222 120.500 0.073 0.000 2.115 225 R HA -0.121 4.220 4.340 0.001 0.000 0.226 225 R C 1.989 178.218 176.300 -0.118 0.000 1.100 225 R CA 1.365 57.508 56.100 0.072 0.000 0.980 225 R CB -0.606 29.784 30.300 0.150 0.000 0.875 225 R HN 0.285 nan 8.270 nan 0.000 0.445 226 E N 0.676 120.844 120.200 -0.054 0.000 2.107 226 E HA -0.040 4.310 4.350 0.001 0.000 0.191 226 E C 1.709 178.250 176.600 -0.098 0.000 0.982 226 E CA 1.823 58.160 56.400 -0.105 0.000 0.809 226 E CB -0.117 29.567 29.700 -0.027 0.000 0.756 226 E HN 0.378 nan 8.360 nan 0.000 0.459 227 T N 0.060 114.623 114.554 0.016 0.000 2.812 227 T HA -0.055 4.295 4.350 0.001 0.000 0.264 227 T C 1.838 176.633 174.700 0.158 0.000 1.042 227 T CA 1.220 63.410 62.100 0.149 0.000 1.140 227 T CB -0.330 68.638 68.868 0.166 0.000 0.870 227 T HN 0.259 nan 8.240 nan 0.000 0.445 228 A N 1.770 124.652 122.820 0.103 0.000 1.877 228 A HA -0.101 4.220 4.320 0.001 0.000 0.216 228 A C 2.268 179.779 177.584 -0.123 0.000 1.186 228 A CA 1.563 53.718 52.037 0.197 0.000 0.620 228 A CB -0.498 18.674 19.000 0.287 0.000 0.822 228 A HN 0.390 nan 8.150 nan 0.000 0.443 229 K N -0.485 119.525 120.400 -0.651 0.000 2.074 229 K HA -0.204 4.117 4.320 0.001 0.000 0.209 229 K C 2.251 178.676 176.600 -0.292 0.000 1.048 229 K CA 1.870 57.653 56.287 -0.840 0.000 0.926 229 K CB -0.141 31.851 32.500 -0.846 0.000 0.713 229 K HN 0.498 nan 8.250 nan 0.000 0.444 230 K N 0.912 121.198 120.400 -0.189 0.000 2.001 230 K HA -0.089 4.232 4.320 0.001 0.000 0.208 230 K C 2.116 178.729 176.600 0.022 0.000 1.048 230 K CA 0.985 57.185 56.287 -0.146 0.000 0.932 230 K CB -0.069 32.218 32.500 -0.355 0.000 0.715 230 K HN 0.059 nan 8.250 nan 0.000 0.437 231 L N 0.635 121.969 121.223 0.185 0.000 2.081 231 L HA -0.228 4.112 4.340 0.001 0.000 0.212 231 L C 2.568 179.488 176.870 0.082 0.000 1.080 231 L CA 1.335 56.304 54.840 0.214 0.000 0.754 231 L CB -0.600 41.627 42.059 0.279 0.000 0.893 231 L HN 0.311 nan 8.230 nan 0.000 0.433 232 A N -0.330 122.547 122.820 0.094 0.000 1.969 232 A HA -0.122 4.198 4.320 0.001 0.000 0.218 232 A C 2.273 179.887 177.584 0.050 0.000 1.169 232 A CA 1.152 53.235 52.037 0.077 0.000 0.635 232 A CB -0.383 18.805 19.000 0.313 0.000 0.810 232 A HN 0.319 nan 8.150 nan 0.000 0.445 233 L N -0.060 121.184 121.223 0.035 0.000 2.007 233 L HA -0.081 4.259 4.340 0.001 0.000 0.205 233 L C 2.334 179.210 176.870 0.010 0.000 1.073 233 L CA 1.754 56.602 54.840 0.013 0.000 0.744 233 L CB -0.629 41.416 42.059 -0.024 0.000 0.898 233 L HN 0.652 nan 8.230 nan 0.000 0.435 234 I N -1.782 118.798 120.570 0.018 0.000 3.434 234 I HA 0.059 4.229 4.170 0.001 0.000 0.308 234 I C 1.241 177.378 176.117 0.032 0.000 1.269 234 I CA 0.721 62.041 61.300 0.033 0.000 1.265 234 I CB -1.146 36.899 38.000 0.075 0.000 1.005 234 I HN 0.440 nan 8.210 nan 0.000 0.554 235 G N 2.029 110.836 108.800 0.012 0.000 2.175 235 G HA2 -0.331 3.630 3.960 0.001 0.000 0.265 235 G HA3 -0.331 3.630 3.960 0.001 0.000 0.265 235 G C 0.511 175.393 174.900 -0.030 0.000 0.979 235 G CA 0.671 45.764 45.100 -0.011 0.000 0.663 235 G HN 0.791 nan 8.290 nan 0.000 0.533 236 T N -1.254 113.290 114.554 -0.016 0.000 3.350 236 T HA 0.588 4.939 4.350 0.001 0.000 0.246 236 T C -1.942 172.691 174.700 -0.112 0.000 1.284 236 T CA -1.117 60.964 62.100 -0.031 0.000 1.329 236 T CB 1.606 70.500 68.868 0.043 0.000 1.033 236 T HN 0.208 nan 8.240 nan 0.000 0.632 237 P HA 0.168 nan 4.420 nan 0.000 0.241 237 P C -0.122 176.749 177.300 -0.715 0.000 1.760 237 P CA 0.131 62.744 63.100 -0.812 0.000 1.081 237 P CB -0.524 30.510 31.700 -1.110 0.000 1.975 238 S N 1.942 117.516 115.700 -0.210 0.000 2.482 238 S HA 0.398 4.868 4.470 0.001 0.000 0.303 238 S C 1.274 176.027 174.600 0.256 0.000 1.091 238 S CA -0.789 57.419 58.200 0.013 0.000 1.057 238 S CB 1.256 64.470 63.200 0.023 0.000 1.031 238 S HN -0.121 nan 8.310 nan 0.000 0.485 239 M N 2.140 121.933 119.600 0.323 0.000 2.213 239 M HA 0.009 4.489 4.480 0.001 0.000 0.263 239 M C 2.100 178.585 176.300 0.308 0.000 1.062 239 M CA 1.393 56.927 55.300 0.390 0.000 1.105 239 M CB -1.537 31.273 32.600 0.349 0.000 1.385 239 M HN 0.922 nan 8.290 nan 0.000 0.417 240 R N 0.358 120.979 120.500 0.201 0.000 2.096 240 R HA -0.126 4.215 4.340 0.001 0.000 0.235 240 R C 2.088 178.507 176.300 0.198 0.000 1.127 240 R CA 1.194 57.385 56.100 0.152 0.000 0.968 240 R CB 0.128 30.465 30.300 0.062 0.000 0.861 240 R HN 0.229 nan 8.270 nan 0.000 0.440 241 E N 0.517 120.824 120.200 0.180 0.000 2.046 241 E HA -0.165 4.186 4.350 0.001 0.000 0.190 241 E C 1.937 178.718 176.600 0.301 0.000 0.982 241 E CA 0.837 57.340 56.400 0.173 0.000 0.800 241 E CB -0.305 29.499 29.700 0.173 0.000 0.756 241 E HN 0.234 nan 8.360 nan 0.000 0.449 242 L N 0.604 122.041 121.223 0.356 0.000 2.012 242 L HA -0.175 4.165 4.340 0.001 0.000 0.210 242 L C 2.275 179.319 176.870 0.291 0.000 1.073 242 L CA 1.653 56.714 54.840 0.369 0.000 0.748 242 L CB -0.833 41.489 42.059 0.439 0.000 0.891 242 L HN 0.075 nan 8.230 nan 0.000 0.431 243 F N -0.546 119.501 119.950 0.160 0.000 2.269 243 F HA -0.233 4.295 4.527 0.001 0.000 0.301 243 F C 2.625 178.455 175.800 0.049 0.000 1.082 243 F CA 1.984 60.041 58.000 0.096 0.000 1.360 243 F CB -0.497 38.561 39.000 0.096 0.000 1.041 243 F HN 0.441 nan 8.300 nan 0.000 0.512 244 H N -1.216 117.951 119.070 0.163 0.000 2.307 244 H HA -0.196 4.361 4.556 0.002 0.000 0.303 244 H C 2.138 177.354 175.328 -0.186 0.000 1.073 244 H CA 2.209 58.228 56.048 -0.049 0.000 1.338 244 H CB -1.051 28.584 29.762 -0.212 0.000 1.389 244 H HN 0.429 nan 8.280 nan 0.000 0.503 245 W N 1.334 122.483 121.300 -0.253 0.000 2.354 245 W HA -0.190 4.470 4.660 -0.000 0.000 0.315 245 W C 2.987 179.307 176.519 -0.332 0.000 1.206 245 W CA 2.078 59.201 57.345 -0.369 0.000 1.290 245 W CB -0.348 28.879 29.460 -0.388 0.000 1.152 245 W HN 0.346 nan 8.180 nan 0.000 0.489 246 T N -4.593 109.948 114.554 -0.021 0.000 3.085 246 T HA 0.012 4.362 4.350 0.001 0.000 0.263 246 T C 1.220 175.758 174.700 -0.270 0.000 1.127 246 T CA 1.577 63.595 62.100 -0.137 0.000 1.103 246 T CB -0.164 68.632 68.868 -0.120 0.000 0.921 246 T HN -0.029 nan 8.240 nan 0.000 0.510 247 T N 0.283 114.601 114.554 -0.393 0.000 3.105 247 T HA 0.387 4.737 4.350 0.001 0.000 0.257 247 T C 1.418 175.907 174.700 -0.351 0.000 0.949 247 T CA -0.245 61.576 62.100 -0.466 0.000 0.959 247 T CB 0.322 68.649 68.868 -0.900 0.000 1.205 247 T HN 0.152 nan 8.240 nan 0.000 0.496 248 I N 1.740 122.082 120.570 -0.380 0.000 2.729 248 I HA 0.370 4.540 4.170 0.001 0.000 0.256 248 I C 1.593 177.474 176.117 -0.393 0.000 1.115 248 I CA 0.152 61.271 61.300 -0.302 0.000 1.446 248 I CB -1.541 36.371 38.000 -0.146 0.000 1.176 248 I HN 0.093 nan 8.210 nan 0.000 0.446 249 A N 2.227 124.601 122.820 -0.743 0.000 2.586 249 A HA 0.176 4.496 4.320 0.001 0.000 0.231 249 A C 0.988 178.493 177.584 -0.132 0.000 1.055 249 A CA 0.433 52.173 52.037 -0.495 0.000 0.756 249 A CB -0.497 18.216 19.000 -0.478 0.000 0.988 249 A HN 0.554 nan 8.150 nan 0.000 0.509 250 T N -0.285 114.252 114.554 -0.028 0.000 2.855 250 T HA 0.197 4.548 4.350 0.001 0.000 0.314 250 T C 0.848 175.648 174.700 0.166 0.000 1.077 250 T CA 0.148 62.280 62.100 0.053 0.000 1.095 250 T CB 0.067 68.968 68.868 0.056 0.000 0.987 250 T HN 0.391 nan 8.240 nan 0.000 0.546 251 F N 1.306 121.219 119.950 -0.061 0.000 2.126 251 F HA -0.041 4.486 4.527 0.001 0.000 0.299 251 F C 2.059 177.855 175.800 -0.006 0.000 1.096 251 F CA 1.643 59.608 58.000 -0.058 0.000 1.255 251 F CB -0.811 38.142 39.000 -0.078 0.000 0.997 251 F HN 0.625 nan 8.300 nan 0.000 0.479 252 D N -0.282 120.227 120.400 0.181 0.000 2.117 252 D HA -0.167 4.474 4.640 0.001 0.000 0.197 252 D C 2.036 178.405 176.300 0.116 0.000 0.987 252 D CA 1.446 55.512 54.000 0.110 0.000 0.829 252 D CB -0.502 40.356 40.800 0.096 0.000 0.961 252 D HN 0.259 nan 8.370 nan 0.000 0.460 253 D N 0.207 120.706 120.400 0.165 0.000 2.117 253 D HA -0.096 4.545 4.640 0.001 0.000 0.197 253 D C 2.201 178.722 176.300 0.368 0.000 0.987 253 D CA 0.230 54.395 54.000 0.276 0.000 0.829 253 D CB -0.053 40.924 40.800 0.295 0.000 0.961 253 D HN 0.171 nan 8.370 nan 0.000 0.460 254 L N 1.027 122.416 121.223 0.276 0.000 2.017 254 L HA -0.167 4.173 4.340 0.001 0.000 0.208 254 L C 2.557 179.447 176.870 0.033 0.000 1.073 254 L CA 1.193 56.147 54.840 0.190 0.000 0.745 254 L CB -0.120 41.958 42.059 0.031 0.000 0.894 254 L HN -0.036 nan 8.230 nan 0.000 0.432 255 R N -0.080 120.401 120.500 -0.032 0.000 2.112 255 R HA -0.197 4.143 4.340 0.001 0.000 0.242 255 R C 2.132 178.417 176.300 -0.026 0.000 1.137 255 R CA 1.600 57.666 56.100 -0.057 0.000 0.944 255 R CB -1.348 28.920 30.300 -0.052 0.000 0.857 255 R HN 0.538 nan 8.270 nan 0.000 0.435 256 G N 0.602 109.416 108.800 0.022 0.000 2.446 256 G HA2 -0.311 3.649 3.960 0.001 0.000 0.217 256 G HA3 -0.311 3.649 3.960 0.001 0.000 0.217 256 G C 1.353 176.225 174.900 -0.046 0.000 1.168 256 G CA 0.666 45.776 45.100 0.016 0.000 0.771 256 G HN 0.319 nan 8.290 nan 0.000 0.551 257 F N 1.151 120.944 119.950 -0.262 0.000 2.171 257 F HA 0.059 4.586 4.527 0.000 0.000 0.300 257 F C 2.350 177.923 175.800 -0.379 0.000 1.090 257 F CA 1.005 58.695 58.000 -0.517 0.000 1.293 257 F CB -0.101 38.139 39.000 -1.267 0.000 1.013 257 F HN 0.034 nan 8.300 nan 0.000 0.486 258 L N 0.020 121.092 121.223 -0.251 0.000 2.456 258 L HA -0.093 4.248 4.340 0.001 0.000 0.224 258 L C 0.662 177.383 176.870 -0.248 0.000 1.148 258 L CA 0.421 55.113 54.840 -0.247 0.000 0.825 258 L CB -0.776 41.236 42.059 -0.077 0.000 0.937 258 L HN 0.044 nan 8.230 nan 0.000 0.450 259 E N 0.059 120.124 120.200 -0.224 0.000 2.480 259 E HA 0.099 4.450 4.350 0.001 0.000 0.258 259 E C 1.043 177.513 176.600 -0.217 0.000 0.984 259 E CA 0.704 56.999 56.400 -0.174 0.000 0.930 259 E CB 0.372 29.993 29.700 -0.131 0.000 0.936 259 E HN 0.336 nan 8.360 nan 0.000 0.466 260 G N 2.774 111.474 108.800 -0.167 0.000 2.213 260 G HA2 -0.269 3.691 3.960 0.001 0.000 0.226 260 G HA3 -0.269 3.691 3.960 0.001 0.000 0.226 260 G C 0.447 175.246 174.900 -0.168 0.000 0.992 260 G CA 0.209 45.211 45.100 -0.164 0.000 0.632 260 G HN 0.671 nan 8.290 nan 0.000 0.511 261 T N -1.168 113.275 114.554 -0.185 0.000 2.936 261 T HA 0.706 5.056 4.350 0.001 0.000 0.282 261 T C 1.609 176.240 174.700 -0.116 0.000 1.003 261 T CA -0.217 61.784 62.100 -0.165 0.000 1.005 261 T CB 1.620 70.371 68.868 -0.195 0.000 1.097 261 T HN 0.276 nan 8.240 nan 0.000 0.532 262 L N 0.486 121.650 121.223 -0.098 0.000 2.353 262 L HA 0.060 4.400 4.340 0.001 0.000 0.220 262 L C 2.737 179.554 176.870 -0.088 0.000 1.133 262 L CA 1.168 55.961 54.840 -0.079 0.000 0.798 262 L CB -0.668 41.354 42.059 -0.061 0.000 0.922 262 L HN 0.917 nan 8.230 nan 0.000 0.445 263 A N -0.556 122.219 122.820 -0.074 0.000 2.275 263 A HA -0.075 4.245 4.320 0.001 0.000 0.212 263 A C 2.101 179.658 177.584 -0.045 0.000 1.201 263 A CA 0.414 52.412 52.037 -0.065 0.000 0.843 263 A CB -0.225 18.833 19.000 0.096 0.000 0.873 263 A HN 0.446 nan 8.150 nan 0.000 0.492 264 E N 0.402 120.561 120.200 -0.067 0.000 2.086 264 E HA -0.253 4.098 4.350 0.001 0.000 0.205 264 E C 1.623 178.190 176.600 -0.056 0.000 1.027 264 E CA 2.132 58.491 56.400 -0.068 0.000 0.830 264 E CB -0.132 29.517 29.700 -0.086 0.000 0.751 264 E HN 0.490 nan 8.360 nan 0.000 0.456 265 S N -0.582 115.071 115.700 -0.077 0.000 2.497 265 S HA 0.180 4.650 4.470 0.001 0.000 0.221 265 S C 1.765 176.298 174.600 -0.112 0.000 1.037 265 S CA -0.122 58.033 58.200 -0.075 0.000 0.920 265 S CB 0.109 63.269 63.200 -0.067 0.000 0.800 265 S HN 0.228 nan 8.310 nan 0.000 0.505 266 L N 0.235 121.338 121.223 -0.200 0.000 2.129 266 L HA -0.079 4.262 4.340 0.001 0.000 0.212 266 L C 0.955 177.588 176.870 -0.395 0.000 1.087 266 L CA 1.252 55.888 54.840 -0.341 0.000 0.757 266 L CB -0.441 41.307 42.059 -0.519 0.000 0.896 266 L HN 0.283 nan 8.230 nan 0.000 0.434 267 F N -0.116 119.762 119.950 -0.120 0.000 2.660 267 F HA 0.443 4.971 4.527 0.001 0.000 0.297 267 F C 0.715 176.422 175.800 -0.155 0.000 1.132 267 F CA -0.413 57.486 58.000 -0.169 0.000 1.372 267 F CB -0.290 38.581 39.000 -0.216 0.000 1.003 267 F HN -0.091 nan 8.300 nan 0.000 0.524 268 A N -1.534 121.298 122.820 0.020 0.000 2.587 268 A HA 0.683 5.003 4.320 0.001 0.000 0.293 268 A C 0.777 178.357 177.584 -0.007 0.000 1.087 268 A CA -0.117 51.923 52.037 0.004 0.000 0.692 268 A CB 1.012 20.009 19.000 -0.006 0.000 1.291 268 A HN 0.558 nan 8.150 nan 0.000 0.407 269 G N -0.533 108.269 108.800 0.003 0.000 2.195 269 G HA2 0.198 4.159 3.960 0.001 0.000 0.224 269 G HA3 0.198 4.159 3.960 0.001 0.000 0.224 269 G C 0.331 175.234 174.900 0.007 0.000 0.990 269 G CA 0.718 45.819 45.100 0.001 0.000 0.639 269 G HN 2.611 nan 8.290 nan 0.000 0.514 270 S N -1.565 114.143 115.700 0.014 0.000 2.611 270 S HA 0.598 5.068 4.470 0.001 0.000 0.268 270 S C 0.468 175.087 174.600 0.031 0.000 1.156 270 S CA 0.070 58.281 58.200 0.019 0.000 0.817 270 S CB 0.976 64.183 63.200 0.012 0.000 1.122 270 S HN -0.019 nan 8.310 nan 0.000 0.466 271 N N 0.835 119.555 118.700 0.034 0.000 2.244 271 N HA -0.069 4.672 4.740 0.001 0.000 0.183 271 N C 1.432 176.971 175.510 0.048 0.000 1.016 271 N CA 1.491 54.567 53.050 0.044 0.000 0.866 271 N CB -0.422 38.087 38.487 0.038 0.000 0.980 271 N HN 0.798 nan 8.380 nan 0.000 0.430 272 E N 1.385 121.609 120.200 0.039 0.000 2.106 272 E HA -0.006 4.345 4.350 0.001 0.000 0.192 272 E C 1.780 178.387 176.600 0.012 0.000 0.984 272 E CA 1.191 57.615 56.400 0.039 0.000 0.806 272 E CB -0.276 29.448 29.700 0.041 0.000 0.750 272 E HN 0.283 nan 8.360 nan 0.000 0.458 273 A N -0.213 122.612 122.820 0.009 0.000 1.902 273 A HA -0.148 4.173 4.320 0.001 0.000 0.217 273 A C 2.453 180.075 177.584 0.063 0.000 1.181 273 A CA 1.870 53.911 52.037 0.007 0.000 0.623 273 A CB -0.725 18.277 19.000 0.003 0.000 0.818 273 A HN 0.283 nan 8.150 nan 0.000 0.443 274 S N -0.778 114.969 115.700 0.078 0.000 2.383 274 S HA -0.119 4.352 4.470 0.001 0.000 0.227 274 S C 2.012 176.707 174.600 0.158 0.000 1.026 274 S CA 1.486 59.780 58.200 0.157 0.000 0.981 274 S CB -0.193 63.119 63.200 0.187 0.000 0.818 274 S HN 0.686 nan 8.310 nan 0.000 0.472 275 K N 1.530 121.982 120.400 0.088 0.000 2.026 275 K HA -0.074 4.246 4.320 0.001 0.000 0.208 275 K C 2.217 178.838 176.600 0.035 0.000 1.048 275 K CA 1.260 57.591 56.287 0.073 0.000 0.929 275 K CB -0.396 32.153 32.500 0.081 0.000 0.713 275 K HN 0.269 nan 8.250 nan 0.000 0.439 276 A N 1.814 124.591 122.820 -0.072 0.000 1.908 276 A HA -0.184 4.137 4.320 0.001 0.000 0.218 276 A C 2.177 179.661 177.584 -0.167 0.000 1.181 276 A CA 1.482 53.290 52.037 -0.382 0.000 0.627 276 A CB -0.745 17.803 19.000 -0.752 0.000 0.818 276 A HN 0.459 nan 8.150 nan 0.000 0.445 277 L N -0.694 120.462 121.223 -0.111 0.000 2.046 277 L HA -0.160 4.181 4.340 0.001 0.000 0.208 277 L C 2.637 179.385 176.870 -0.203 0.000 1.077 277 L CA 2.203 56.732 54.840 -0.519 0.000 0.747 277 L CB -0.689 40.960 42.059 -0.683 0.000 0.896 277 L HN 0.410 nan 8.230 nan 0.000 0.432 278 T N -0.664 113.950 114.554 0.101 0.000 2.720 278 T HA -0.179 4.171 4.350 0.001 0.000 0.268 278 T C 1.998 176.661 174.700 -0.062 0.000 1.037 278 T CA 1.760 63.888 62.100 0.046 0.000 1.144 278 T CB -0.104 68.771 68.868 0.013 0.000 0.864 278 T HN 0.370 nan 8.240 nan 0.000 0.444 279 S N 1.036 116.751 115.700 0.025 0.000 2.383 279 S HA 0.011 4.481 4.470 0.001 0.000 0.227 279 S C 2.521 177.187 174.600 0.110 0.000 1.026 279 S CA 0.854 59.076 58.200 0.036 0.000 0.981 279 S CB -0.424 62.822 63.200 0.076 0.000 0.818 279 S HN 0.592 nan 8.310 nan 0.000 0.472 280 A N 2.149 125.013 122.820 0.074 0.000 1.930 280 A HA -0.079 4.241 4.320 0.001 0.000 0.217 280 A C 2.176 179.723 177.584 -0.062 0.000 1.175 280 A CA 0.932 52.992 52.037 0.038 0.000 0.627 280 A CB -0.334 18.596 19.000 -0.116 0.000 0.815 280 A HN 0.282 nan 8.150 nan 0.000 0.443 281 R N -1.301 119.107 120.500 -0.155 0.000 2.070 281 R HA -0.102 4.239 4.340 0.001 0.000 0.233 281 R C 1.876 178.081 176.300 -0.159 0.000 1.137 281 R CA 1.412 57.382 56.100 -0.217 0.000 0.945 281 R CB -0.994 29.128 30.300 -0.298 0.000 0.845 281 R HN 0.534 nan 8.270 nan 0.000 0.430 282 F N 0.964 120.848 119.950 -0.110 0.000 2.091 282 F HA -0.204 4.324 4.527 0.001 0.000 0.299 282 F C 2.629 178.384 175.800 -0.075 0.000 1.103 282 F CA 0.993 58.923 58.000 -0.116 0.000 1.228 282 F CB -1.050 37.840 39.000 -0.183 0.000 0.984 282 F HN -0.240 nan 8.300 nan 0.000 0.477 283 V N -0.405 119.603 119.914 0.155 0.000 2.255 283 V HA -0.282 3.838 4.120 0.001 0.000 0.247 283 V C 2.406 178.532 176.094 0.054 0.000 1.051 283 V CA 1.328 63.696 62.300 0.114 0.000 1.018 283 V CB -0.733 31.173 31.823 0.138 0.000 0.641 283 V HN 0.182 nan 8.190 nan 0.000 0.445 284 L N 0.980 122.205 121.223 0.002 0.000 2.131 284 L HA -0.098 4.243 4.340 0.001 0.000 0.210 284 L C 2.717 179.558 176.870 -0.050 0.000 1.092 284 L CA 2.335 57.145 54.840 -0.050 0.000 0.759 284 L CB -1.451 40.544 42.059 -0.106 0.000 0.903 284 L HN 0.620 nan 8.230 nan 0.000 0.435 285 S N -1.901 113.766 115.700 -0.055 0.000 2.447 285 S HA -0.128 4.343 4.470 0.001 0.000 0.233 285 S C 1.580 176.251 174.600 0.118 0.000 1.006 285 S CA 0.987 59.174 58.200 -0.021 0.000 0.957 285 S CB -0.146 63.042 63.200 -0.021 0.000 0.773 285 S HN 0.394 nan 8.310 nan 0.000 0.507 286 D N 1.300 121.758 120.400 0.097 0.000 2.197 286 D HA 0.091 4.731 4.640 0.001 0.000 0.212 286 D C 2.007 178.366 176.300 0.099 0.000 0.963 286 D CA 0.839 54.898 54.000 0.098 0.000 0.864 286 D CB -0.004 40.842 40.800 0.076 0.000 1.009 286 D HN 0.293 nan 8.370 nan 0.000 0.479 287 K N 0.627 121.071 120.400 0.074 0.000 2.076 287 K HA 0.095 4.416 4.320 0.001 0.000 0.204 287 K C 2.339 179.007 176.600 0.113 0.000 1.051 287 K CA 0.218 56.540 56.287 0.058 0.000 0.949 287 K CB -0.354 32.133 32.500 -0.021 0.000 0.726 287 K HN 0.212 nan 8.250 nan 0.000 0.443 288 L N 0.897 122.196 121.223 0.128 0.000 2.217 288 L HA -0.059 4.281 4.340 0.001 0.000 0.211 288 L C -0.757 176.338 176.870 0.376 0.000 1.107 288 L CA 0.572 55.556 54.840 0.240 0.000 0.783 288 L CB -1.546 40.686 42.059 0.288 0.000 0.919 288 L HN 0.032 nan 8.230 nan 0.000 0.442 289 P HA -0.235 nan 4.420 nan 0.000 0.219 289 P C 1.283 178.637 177.300 0.089 0.000 1.161 289 P CA 1.464 64.652 63.100 0.146 0.000 0.909 289 P CB 0.035 31.831 31.700 0.161 0.000 0.793 290 E N -2.126 118.151 120.200 0.129 0.000 2.347 290 E HA -0.142 4.208 4.350 0.001 0.000 0.196 290 E C 1.828 178.439 176.600 0.017 0.000 1.008 290 E CA 0.935 57.366 56.400 0.051 0.000 0.852 290 E CB -0.745 28.953 29.700 -0.004 0.000 0.783 290 E HN 0.499 nan 8.360 nan 0.000 0.505 291 H N -0.502 118.617 119.070 0.081 0.000 2.428 291 H HA -0.019 4.537 4.556 0.001 0.000 0.296 291 H C 2.047 177.467 175.328 0.154 0.000 1.062 291 H CA 1.038 57.183 56.048 0.162 0.000 1.350 291 H CB 0.223 30.092 29.762 0.179 0.000 1.403 291 H HN -0.058 nan 8.280 nan 0.000 0.533 292 V N -0.021 120.004 119.914 0.186 0.000 2.346 292 V HA -0.197 3.924 4.120 0.001 0.000 0.244 292 V C 2.534 178.646 176.094 0.029 0.000 1.037 292 V CA 1.966 64.314 62.300 0.081 0.000 1.029 292 V CB -0.905 30.858 31.823 -0.100 0.000 0.663 292 V HN 0.636 nan 8.190 nan 0.000 0.454 293 T N -2.701 111.845 114.554 -0.013 0.000 3.007 293 T HA -0.058 4.292 4.350 0.001 0.000 0.270 293 T C 0.977 175.647 174.700 -0.049 0.000 1.107 293 T CA 0.514 62.587 62.100 -0.045 0.000 1.118 293 T CB -0.328 68.502 68.868 -0.064 0.000 0.889 293 T HN 0.159 nan 8.240 nan 0.000 0.506 294 M N 2.692 122.301 119.600 0.015 0.000 2.252 294 M HA 0.211 4.691 4.480 0.001 0.000 0.348 294 M C -2.387 173.972 176.300 0.098 0.000 1.334 294 M CA -1.797 53.546 55.300 0.072 0.000 1.071 294 M CB 0.533 33.266 32.600 0.222 0.000 1.763 294 M HN -0.007 nan 8.290 nan 0.000 0.452 295 P HA -0.010 nan 4.420 nan 0.000 0.263 295 P C -1.013 176.367 177.300 0.133 0.000 1.195 295 P CA 0.023 63.168 63.100 0.074 0.000 0.762 295 P CB 0.204 31.934 31.700 0.051 0.000 0.799 296 D N 2.377 122.841 120.400 0.108 0.000 2.313 296 D HA 0.468 5.109 4.640 0.001 0.000 0.247 296 D C 0.444 176.809 176.300 0.109 0.000 1.094 296 D CA -0.370 53.702 54.000 0.119 0.000 0.925 296 D CB 1.404 42.252 40.800 0.079 0.000 1.188 296 D HN 0.408 nan 8.370 nan 0.000 0.430 297 G N 0.267 109.143 108.800 0.126 0.000 2.561 297 G HA2 0.283 4.243 3.960 0.001 0.000 0.310 297 G HA3 0.283 4.243 3.960 0.001 0.000 0.310 297 G C -0.715 174.257 174.900 0.120 0.000 1.292 297 G CA -0.345 44.830 45.100 0.125 0.000 0.811 297 G HN 0.504 nan 8.290 nan 0.000 0.482 298 D N -1.105 119.377 120.400 0.137 0.000 2.395 298 D HA 0.192 4.833 4.640 0.001 0.000 0.213 298 D C 0.300 176.696 176.300 0.161 0.000 1.110 298 D CA -0.633 53.429 54.000 0.103 0.000 0.835 298 D CB 0.038 40.879 40.800 0.068 0.000 0.965 298 D HN 0.122 nan 8.370 nan 0.000 0.505 299 F N 2.145 122.171 119.950 0.126 0.000 2.572 299 F HA 0.305 4.832 4.527 0.000 0.000 0.370 299 F C 0.160 176.122 175.800 0.269 0.000 1.103 299 F CA -0.073 58.031 58.000 0.173 0.000 1.286 299 F CB 0.975 40.068 39.000 0.156 0.000 1.105 299 F HN -0.103 nan 8.300 nan 0.000 0.583 300 S N 6.658 121.907 115.700 -0.752 0.000 2.672 300 S HA 0.417 4.888 4.470 0.001 0.000 0.291 300 S C 0.842 175.021 174.600 -0.702 0.000 1.145 300 S CA -0.837 57.100 58.200 -0.439 0.000 1.013 300 S CB 0.581 63.652 63.200 -0.215 0.000 1.017 300 S HN 0.695 nan 8.310 nan 0.000 0.487 301 I N 4.465 124.824 120.570 -0.352 0.000 2.286 301 I HA -0.181 3.989 4.170 0.001 0.000 0.248 301 I C 2.637 178.815 176.117 0.102 0.000 1.115 301 I CA 1.019 62.259 61.300 -0.100 0.000 1.392 301 I CB -0.162 37.872 38.000 0.057 0.000 1.065 301 I HN 0.662 nan 8.210 nan 0.000 0.418 302 R N 0.427 120.946 120.500 0.031 0.000 2.080 302 R HA -0.133 4.207 4.340 0.001 0.000 0.236 302 R C 2.484 178.803 176.300 0.031 0.000 1.137 302 R CA 1.911 58.042 56.100 0.052 0.000 0.943 302 R CB -0.625 29.676 30.300 0.001 0.000 0.846 302 R HN 0.275 nan 8.270 nan 0.000 0.431 303 S N 0.317 116.002 115.700 -0.025 0.000 2.383 303 S HA -0.189 4.281 4.470 0.001 0.000 0.229 303 S C 1.368 175.987 174.600 0.032 0.000 1.030 303 S CA 1.233 59.423 58.200 -0.017 0.000 1.002 303 S CB -0.346 62.828 63.200 -0.044 0.000 0.829 303 S HN 0.480 nan 8.310 nan 0.000 0.467 304 W N 2.379 123.600 121.300 -0.131 0.000 2.358 304 W HA -0.027 4.633 4.660 0.000 0.000 0.303 304 W C 1.582 178.118 176.519 0.030 0.000 1.208 304 W CA 0.937 58.277 57.345 -0.007 0.000 1.274 304 W CB -0.486 29.001 29.460 0.046 0.000 1.138 304 W HN 0.181 nan 8.180 nan 0.000 0.515 305 L N 0.448 121.673 121.223 0.004 0.000 2.191 305 L HA -0.181 4.159 4.340 0.001 0.000 0.212 305 L C 2.187 178.949 176.870 -0.180 0.000 1.103 305 L CA 1.614 56.359 54.840 -0.158 0.000 0.769 305 L CB -0.647 41.452 42.059 0.066 0.000 0.908 305 L HN 0.084 nan 8.230 nan 0.000 0.438 306 E N -0.957 119.179 120.200 -0.107 0.000 2.250 306 E HA -0.096 4.255 4.350 0.001 0.000 0.192 306 E C 0.448 176.984 176.600 -0.106 0.000 0.986 306 E CA 0.006 56.356 56.400 -0.083 0.000 0.849 306 E CB 0.105 29.782 29.700 -0.038 0.000 0.797 306 E HN 0.234 nan 8.360 nan 0.000 0.482 307 D N 1.201 121.520 120.400 -0.137 0.000 2.338 307 D HA 0.021 4.662 4.640 0.001 0.000 0.255 307 D C -1.851 174.346 176.300 -0.172 0.000 1.237 307 D CA -2.274 51.657 54.000 -0.116 0.000 0.883 307 D CB 1.319 42.077 40.800 -0.070 0.000 1.087 307 D HN -0.185 nan 8.370 nan 0.000 0.485 308 P HA -0.049 nan 4.420 nan 0.000 0.220 308 P C 0.171 177.417 177.300 -0.091 0.000 1.148 308 P CA 0.785 63.822 63.100 -0.106 0.000 0.803 308 P CB 0.276 31.939 31.700 -0.062 0.000 0.782 309 N N -1.126 117.538 118.700 -0.060 0.000 2.321 309 N HA 0.101 4.841 4.740 0.001 0.000 0.242 309 N C 1.447 176.957 175.510 0.001 0.000 1.141 309 N CA 0.243 53.281 53.050 -0.019 0.000 0.864 309 N CB 0.031 38.522 38.487 0.007 0.000 1.100 309 N HN 0.129 nan 8.380 nan 0.000 0.510 310 G N 0.198 108.954 108.800 -0.073 0.000 2.484 310 G HA2 0.231 4.191 3.960 0.001 0.000 0.218 310 G HA3 0.231 4.191 3.960 0.001 0.000 0.218 310 G C 0.959 175.976 174.900 0.195 0.000 1.130 310 G CA 0.565 45.658 45.100 -0.011 0.000 0.784 310 G HN 0.527 nan 8.290 nan 0.000 0.543 311 G N -0.065 108.797 108.800 0.103 0.000 2.568 311 G HA2 -0.201 3.759 3.960 0.001 0.000 0.222 311 G HA3 -0.201 3.759 3.960 0.001 0.000 0.222 311 G C -0.561 174.572 174.900 0.387 0.000 1.321 311 G CA -0.189 45.049 45.100 0.229 0.000 0.893 311 G HN 0.518 nan 8.290 nan 0.000 0.569 312 N N -0.471 118.485 118.700 0.426 0.000 2.443 312 N HA 0.672 5.413 4.740 0.001 0.000 0.293 312 N C -0.640 175.062 175.510 0.320 0.000 1.159 312 N CA -0.535 52.773 53.050 0.429 0.000 0.904 312 N CB 2.077 40.641 38.487 0.128 0.000 1.214 312 N HN 0.668 nan 8.380 nan 0.000 0.513 313 L N 1.197 122.416 121.223 -0.007 0.000 2.341 313 L HA 0.533 4.873 4.340 0.001 0.000 0.278 313 L C -1.439 175.187 176.870 -0.406 0.000 1.005 313 L CA -0.690 53.914 54.840 -0.392 0.000 0.818 313 L CB 0.701 42.155 42.059 -1.009 0.000 1.259 313 L HN 0.374 nan 8.230 nan 0.000 0.418 314 F N 5.423 125.271 119.950 -0.170 0.000 2.427 314 F HA 0.443 4.971 4.527 0.001 0.000 0.348 314 F C 0.115 175.863 175.800 -0.087 0.000 1.125 314 F CA -0.428 57.531 58.000 -0.069 0.000 0.989 314 F CB 1.452 40.434 39.000 -0.030 0.000 1.165 314 F HN 0.208 nan 8.300 nan 0.000 0.442 315 I N 3.946 124.604 120.570 0.146 0.000 2.287 315 I HA 0.235 4.405 4.170 0.001 0.000 0.290 315 I C 0.273 176.687 176.117 0.495 0.000 1.069 315 I CA -0.207 61.209 61.300 0.193 0.000 1.237 315 I CB 0.490 38.614 38.000 0.207 0.000 1.418 315 I HN 0.617 nan 8.210 nan 0.000 0.481 316 T N 2.172 117.005 114.554 0.464 0.000 2.949 316 T HA 0.799 5.150 4.350 0.001 0.000 0.287 316 T C -0.977 174.155 174.700 0.718 0.000 1.034 316 T CA -0.683 61.718 62.100 0.502 0.000 1.018 316 T CB 2.043 71.052 68.868 0.236 0.000 1.135 316 T HN 0.688 nan 8.240 nan 0.000 0.532 317 W N -0.872 120.493 121.300 0.108 0.000 3.338 317 W HA 0.559 5.219 4.660 0.001 0.000 0.299 317 W C -1.616 174.870 176.519 -0.055 0.000 1.226 317 W CA -1.228 56.154 57.345 0.062 0.000 1.183 317 W CB 0.767 30.284 29.460 0.094 0.000 1.360 317 W HN 0.763 nan 8.180 nan 0.000 0.569 318 R N 2.185 122.633 120.500 -0.086 0.000 2.438 318 R HA 0.114 4.455 4.340 0.001 0.000 0.287 318 R C 0.946 177.177 176.300 -0.115 0.000 1.077 318 R CA -0.269 55.672 56.100 -0.265 0.000 1.034 318 R CB 1.195 31.268 30.300 -0.378 0.000 0.993 318 R HN 0.752 nan 8.270 nan 0.000 0.459 319 E N 1.407 121.494 120.200 -0.189 0.000 2.160 319 E HA -0.219 4.132 4.350 0.001 0.000 0.195 319 E C 0.905 177.519 176.600 0.023 0.000 0.991 319 E CA 1.531 57.895 56.400 -0.060 0.000 0.810 319 E CB 0.108 29.750 29.700 -0.097 0.000 0.742 319 E HN 0.604 nan 8.360 nan 0.000 0.466 320 D N -0.409 119.971 120.400 -0.033 0.000 2.363 320 D HA -0.139 4.502 4.640 0.001 0.000 0.226 320 D C 1.102 177.397 176.300 -0.009 0.000 1.020 320 D CA 0.597 54.582 54.000 -0.024 0.000 0.892 320 D CB -0.014 40.751 40.800 -0.057 0.000 0.900 320 D HN 0.228 nan 8.370 nan 0.000 0.531 321 M N 0.003 119.623 119.600 0.034 0.000 2.692 321 M HA 0.314 4.795 4.480 0.001 0.000 0.372 321 M C 1.512 177.887 176.300 0.125 0.000 1.192 321 M CA -0.280 55.041 55.300 0.035 0.000 0.928 321 M CB 1.702 34.283 32.600 -0.032 0.000 1.366 321 M HN 0.026 nan 8.290 nan 0.000 0.517 322 G N 2.553 111.460 108.800 0.178 0.000 2.484 322 G HA2 -0.128 3.832 3.960 0.001 0.000 0.215 322 G HA3 -0.128 3.832 3.960 0.001 0.000 0.215 322 G C -0.670 174.250 174.900 0.033 0.000 1.219 322 G CA 0.683 45.894 45.100 0.184 0.000 0.791 322 G HN 0.294 nan 8.290 nan 0.000 0.550 323 P HA -0.137 nan 4.420 nan 0.000 0.216 323 P C 1.990 179.286 177.300 -0.007 0.000 1.150 323 P CA 2.172 65.277 63.100 0.009 0.000 0.843 323 P CB -0.213 31.498 31.700 0.018 0.000 0.787 324 A N -0.212 122.607 122.820 -0.000 0.000 1.930 324 A HA -0.076 4.244 4.320 0.001 0.000 0.217 324 A C 2.264 179.839 177.584 -0.015 0.000 1.175 324 A CA 1.241 53.282 52.037 0.007 0.000 0.627 324 A CB -1.353 17.657 19.000 0.017 0.000 0.815 324 A HN 0.181 nan 8.150 nan 0.000 0.443 325 L N -1.373 119.813 121.223 -0.063 0.000 2.607 325 L HA 0.156 4.497 4.340 0.001 0.000 0.228 325 L C 2.253 178.966 176.870 -0.262 0.000 1.123 325 L CA 0.064 54.811 54.840 -0.156 0.000 0.890 325 L CB -0.210 41.747 42.059 -0.170 0.000 1.103 325 L HN 0.414 nan 8.230 nan 0.000 0.468 326 R N 1.533 121.918 120.500 -0.191 0.000 2.096 326 R HA -0.159 4.181 4.340 0.001 0.000 0.240 326 R C -0.445 175.755 176.300 -0.167 0.000 1.139 326 R CA 1.952 57.939 56.100 -0.187 0.000 0.952 326 R CB -0.918 29.325 30.300 -0.096 0.000 0.854 326 R HN 0.223 nan 8.270 nan 0.000 0.436 327 P HA -0.182 nan 4.420 nan 0.000 0.217 327 P C 1.525 178.755 177.300 -0.116 0.000 1.151 327 P CA 1.210 64.270 63.100 -0.066 0.000 0.828 327 P CB -0.097 31.607 31.700 0.008 0.000 0.788 328 L N -0.588 120.475 121.223 -0.266 0.000 2.027 328 L HA -0.083 4.257 4.340 0.001 0.000 0.206 328 L C 2.669 179.021 176.870 -0.864 0.000 1.074 328 L CA 1.369 55.818 54.840 -0.651 0.000 0.745 328 L CB -0.543 41.012 42.059 -0.841 0.000 0.898 328 L HN -0.173 nan 8.230 nan 0.000 0.433 329 I N -1.036 119.165 120.570 -0.615 0.000 2.361 329 I HA -0.274 3.897 4.170 0.001 0.000 0.251 329 I C 2.491 178.502 176.117 -0.177 0.000 1.133 329 I CA 0.941 62.012 61.300 -0.380 0.000 1.413 329 I CB -0.222 37.475 38.000 -0.505 0.000 1.073 329 I HN 0.193 nan 8.210 nan 0.000 0.424 330 S N 0.771 116.369 115.700 -0.170 0.000 2.368 330 S HA -0.111 4.359 4.470 0.001 0.000 0.224 330 S C 2.316 176.917 174.600 0.001 0.000 1.029 330 S CA 1.209 59.378 58.200 -0.051 0.000 0.988 330 S CB -0.289 62.883 63.200 -0.047 0.000 0.838 330 S HN 0.535 nan 8.310 nan 0.000 0.462 331 A N 1.585 124.377 122.820 -0.048 0.000 1.865 331 A HA -0.156 4.165 4.320 0.001 0.000 0.217 331 A C 1.892 179.564 177.584 0.147 0.000 1.191 331 A CA 1.511 53.583 52.037 0.057 0.000 0.623 331 A CB -1.006 18.049 19.000 0.091 0.000 0.826 331 A HN 0.622 nan 8.150 nan 0.000 0.444 332 W N -0.030 121.241 121.300 -0.048 0.000 2.335 332 W HA -0.127 4.533 4.660 0.000 0.000 0.311 332 W C 2.402 178.908 176.519 -0.022 0.000 1.213 332 W CA 1.212 58.478 57.345 -0.131 0.000 1.274 332 W CB -1.451 27.856 29.460 -0.255 0.000 1.148 332 W HN 0.197 nan 8.180 nan 0.000 0.498 333 V N 0.265 120.320 119.914 0.235 0.000 2.343 333 V HA -0.304 3.817 4.120 0.001 0.000 0.247 333 V C 1.801 177.995 176.094 0.167 0.000 1.051 333 V CA 2.445 64.850 62.300 0.175 0.000 1.036 333 V CB -1.103 30.805 31.823 0.141 0.000 0.654 333 V HN 0.034 nan 8.190 nan 0.000 0.451 334 D N -0.462 120.035 120.400 0.162 0.000 2.178 334 D HA -0.134 4.506 4.640 0.001 0.000 0.202 334 D C 2.034 178.452 176.300 0.197 0.000 0.974 334 D CA 0.973 55.063 54.000 0.150 0.000 0.841 334 D CB 0.053 40.928 40.800 0.125 0.000 0.953 334 D HN 0.186 nan 8.370 nan 0.000 0.478 335 V N -0.193 119.894 119.914 0.289 0.000 2.332 335 V HA -0.231 3.889 4.120 0.001 0.000 0.248 335 V C 2.446 178.734 176.094 0.324 0.000 1.055 335 V CA 1.246 63.798 62.300 0.420 0.000 1.038 335 V CB -0.298 31.807 31.823 0.470 0.000 0.651 335 V HN 0.187 nan 8.190 nan 0.000 0.450 336 V N -1.134 118.925 119.914 0.242 0.000 2.343 336 V HA -0.297 3.824 4.120 0.001 0.000 0.247 336 V C 2.505 178.700 176.094 0.169 0.000 1.051 336 V CA 2.208 64.634 62.300 0.210 0.000 1.036 336 V CB -0.805 31.131 31.823 0.187 0.000 0.654 336 V HN 0.651 nan 8.190 nan 0.000 0.451 337 C N 0.575 119.958 119.300 0.139 0.000 2.429 337 C HA -0.144 4.316 4.460 0.001 0.000 0.277 337 C C 3.034 178.068 174.990 0.073 0.000 1.262 337 C CA 1.760 60.830 59.018 0.086 0.000 1.733 337 C CB -1.293 26.487 27.740 0.067 0.000 2.010 337 C HN 0.769 nan 8.230 nan 0.000 0.483 338 T N -0.939 113.663 114.554 0.081 0.000 2.851 338 T HA -0.079 4.271 4.350 0.001 0.000 0.262 338 T C 1.834 176.596 174.700 0.104 0.000 1.043 338 T CA 1.542 63.666 62.100 0.041 0.000 1.140 338 T CB -0.551 68.266 68.868 -0.086 0.000 0.872 338 T HN 0.442 nan 8.240 nan 0.000 0.446 339 S N 2.609 118.426 115.700 0.194 0.000 2.374 339 S HA -0.120 4.351 4.470 0.001 0.000 0.227 339 S C 2.084 176.771 174.600 0.145 0.000 1.037 339 S CA 1.671 60.007 58.200 0.226 0.000 1.024 339 S CB -0.698 62.665 63.200 0.272 0.000 0.861 339 S HN 0.775 nan 8.310 nan 0.000 0.456 340 I N -0.497 120.144 120.570 0.118 0.000 2.700 340 I HA -0.025 4.145 4.170 0.001 0.000 0.261 340 I C 1.513 177.662 176.117 0.054 0.000 1.219 340 I CA 1.133 62.479 61.300 0.077 0.000 1.463 340 I CB -0.462 37.575 38.000 0.062 0.000 1.092 340 I HN 0.066 nan 8.210 nan 0.000 0.452 341 L N 0.213 121.473 121.223 0.061 0.000 2.552 341 L HA 0.094 4.434 4.340 0.001 0.000 0.227 341 L C 1.965 178.870 176.870 0.057 0.000 1.146 341 L CA 1.168 56.035 54.840 0.045 0.000 0.858 341 L CB -0.773 41.310 42.059 0.040 0.000 0.969 341 L HN 0.290 nan 8.230 nan 0.000 0.451 342 S N -1.349 114.398 115.700 0.079 0.000 2.539 342 S HA 0.297 4.767 4.470 0.001 0.000 0.221 342 S C 0.659 175.295 174.600 0.060 0.000 0.987 342 S CA -0.402 57.850 58.200 0.087 0.000 0.929 342 S CB 0.239 63.518 63.200 0.132 0.000 0.832 342 S HN 0.108 nan 8.310 nan 0.000 0.492 343 L N 4.260 125.509 121.223 0.044 0.000 2.410 343 L HA 0.233 4.573 4.340 0.001 0.000 0.273 343 L C -1.895 174.981 176.870 0.011 0.000 1.152 343 L CA -1.626 53.227 54.840 0.022 0.000 0.855 343 L CB 0.102 42.167 42.059 0.010 0.000 1.129 343 L HN 0.050 nan 8.230 nan 0.000 0.463 344 P HA -0.049 nan 4.420 nan 0.000 0.266 344 P C -0.398 176.897 177.300 -0.009 0.000 1.195 344 P CA -0.154 62.946 63.100 -0.001 0.000 0.768 344 P CB 0.563 32.262 31.700 -0.003 0.000 0.838 345 E N 1.694 121.887 120.200 -0.011 0.000 2.480 345 E HA -0.071 4.279 4.350 0.001 0.000 0.258 345 E C -0.362 176.225 176.600 -0.021 0.000 0.984 345 E CA 0.289 56.678 56.400 -0.018 0.000 0.930 345 E CB 0.251 29.941 29.700 -0.018 0.000 0.936 345 E HN 0.334 nan 8.360 nan 0.000 0.466 346 E N 5.587 125.771 120.200 -0.027 0.000 2.502 346 E HA 0.262 4.613 4.350 0.001 0.000 0.261 346 E C -2.422 174.157 176.600 -0.035 0.000 0.974 346 E CA -1.846 54.536 56.400 -0.030 0.000 0.795 346 E CB 1.402 31.082 29.700 -0.033 0.000 1.385 346 E HN 0.261 nan 8.360 nan 0.000 0.400 347 P HA -0.149 nan 4.420 nan 0.000 0.219 347 P C 0.608 177.885 177.300 -0.038 0.000 1.146 347 P CA 0.879 63.957 63.100 -0.037 0.000 0.808 347 P CB 0.348 32.030 31.700 -0.031 0.000 0.779 348 K N -0.908 119.472 120.400 -0.033 0.000 2.305 348 K HA 0.010 4.330 4.320 0.001 0.000 0.199 348 K C 1.112 177.692 176.600 -0.033 0.000 1.047 348 K CA 0.207 56.477 56.287 -0.030 0.000 0.976 348 K CB -0.245 32.240 32.500 -0.024 0.000 0.765 348 K HN 0.212 nan 8.250 nan 0.000 0.474 349 R N 1.532 122.007 120.500 -0.042 0.000 2.543 349 R HA 0.095 4.435 4.340 0.001 0.000 0.277 349 R C -0.652 175.612 176.300 -0.060 0.000 1.074 349 R CA 0.180 56.251 56.100 -0.048 0.000 1.076 349 R CB 0.459 30.726 30.300 -0.055 0.000 0.993 349 R HN -0.095 nan 8.270 nan 0.000 0.459 350 R N 4.589 125.059 120.500 -0.049 0.000 2.575 350 R HA 0.300 4.640 4.340 0.001 0.000 0.292 350 R C -1.383 174.895 176.300 -0.036 0.000 1.246 350 R CA -0.642 55.411 56.100 -0.077 0.000 0.973 350 R CB 1.486 31.775 30.300 -0.019 0.000 1.187 350 R HN 0.384 nan 8.270 nan 0.000 0.478 351 L N 3.965 125.129 121.223 -0.097 0.000 2.325 351 L HA 0.513 4.854 4.340 0.001 0.000 0.281 351 L C -1.294 175.552 176.870 -0.040 0.000 1.004 351 L CA -0.524 54.321 54.840 0.010 0.000 0.823 351 L CB 0.953 43.023 42.059 0.017 0.000 1.236 351 L HN 0.641 nan 8.230 nan 0.000 0.415 352 W N 5.731 127.075 121.300 0.073 0.000 2.390 352 W HA 0.468 5.128 4.660 0.001 0.000 0.312 352 W C -0.184 176.376 176.519 0.069 0.000 1.123 352 W CA -0.346 57.012 57.345 0.021 0.000 1.202 352 W CB 1.289 30.781 29.460 0.054 0.000 1.251 352 W HN 0.278 nan 8.180 nan 0.000 0.511 353 L N 4.529 125.864 121.223 0.186 0.000 2.295 353 L HA 0.444 4.785 4.340 0.001 0.000 0.281 353 L C -1.356 175.594 176.870 0.133 0.000 1.018 353 L CA -0.828 54.126 54.840 0.190 0.000 0.841 353 L CB 0.330 42.459 42.059 0.116 0.000 1.218 353 L HN 0.316 nan 8.230 nan 0.000 0.424 354 F N 5.850 125.926 119.950 0.211 0.000 2.334 354 F HA 0.354 4.881 4.527 0.001 0.000 0.365 354 F C 0.480 176.386 175.800 0.177 0.000 1.124 354 F CA -0.274 57.840 58.000 0.189 0.000 1.166 354 F CB 0.651 39.725 39.000 0.123 0.000 1.355 354 F HN 0.279 nan 8.300 nan 0.000 0.532 355 I N 3.481 124.224 120.570 0.288 0.000 2.281 355 I HA 0.065 4.235 4.170 0.001 0.000 0.293 355 I C 0.995 177.260 176.117 0.247 0.000 1.085 355 I CA -0.287 61.164 61.300 0.252 0.000 1.257 355 I CB 0.645 38.768 38.000 0.205 0.000 1.430 355 I HN 0.505 nan 8.210 nan 0.000 0.489 356 D N 4.797 125.364 120.400 0.277 0.000 2.349 356 D HA -0.270 4.370 4.640 0.001 0.000 0.215 356 D C 0.702 177.111 176.300 0.182 0.000 1.075 356 D CA 1.856 55.998 54.000 0.238 0.000 0.934 356 D CB 0.336 41.294 40.800 0.263 0.000 1.234 356 D HN 0.494 nan 8.370 nan 0.000 0.492 357 E N -0.678 119.633 120.200 0.185 0.000 2.101 357 E HA 0.199 4.549 4.350 0.001 0.000 0.260 357 E C 0.424 177.102 176.600 0.129 0.000 0.897 357 E CA -0.341 56.138 56.400 0.132 0.000 0.744 357 E CB 0.903 30.680 29.700 0.128 0.000 1.140 357 E HN 0.247 nan 8.360 nan 0.000 0.419 358 L N 4.391 125.671 121.223 0.095 0.000 2.043 358 L HA -0.118 4.223 4.340 0.001 0.000 0.212 358 L C 1.660 178.617 176.870 0.144 0.000 1.075 358 L CA 2.641 57.545 54.840 0.107 0.000 0.752 358 L CB -0.560 41.519 42.059 0.035 0.000 0.891 358 L HN 0.626 nan 8.230 nan 0.000 0.432 359 A N -2.311 120.579 122.820 0.117 0.000 2.239 359 A HA 0.029 4.349 4.320 0.001 0.000 0.209 359 A C 2.152 179.801 177.584 0.108 0.000 1.171 359 A CA 1.124 53.243 52.037 0.137 0.000 0.768 359 A CB -0.508 18.551 19.000 0.099 0.000 0.790 359 A HN 0.501 nan 8.150 nan 0.000 0.478 360 S N -0.648 115.117 115.700 0.108 0.000 2.517 360 S HA 0.302 4.773 4.470 0.001 0.000 0.214 360 S C 0.623 175.259 174.600 0.061 0.000 0.991 360 S CA -0.191 58.065 58.200 0.093 0.000 0.906 360 S CB -0.097 63.184 63.200 0.135 0.000 0.789 360 S HN 0.494 nan 8.310 nan 0.000 0.513 361 L N 1.370 122.636 121.223 0.071 0.000 2.431 361 L HA 0.408 4.748 4.340 0.001 0.000 0.260 361 L C 0.841 177.718 176.870 0.012 0.000 1.098 361 L CA -0.594 54.266 54.840 0.032 0.000 0.800 361 L CB 0.542 42.643 42.059 0.071 0.000 1.210 361 L HN 0.115 nan 8.230 nan 0.000 0.465 362 E N 0.319 120.501 120.200 -0.030 0.000 2.605 362 E HA 0.026 4.376 4.350 0.001 0.000 0.255 362 E C -0.303 176.197 176.600 -0.167 0.000 1.369 362 E CA -0.429 55.919 56.400 -0.086 0.000 1.017 362 E CB 0.560 30.216 29.700 -0.073 0.000 1.086 362 E HN 0.293 nan 8.360 nan 0.000 0.605 363 K N 1.963 122.174 120.400 -0.316 0.000 2.237 363 K HA 0.092 4.413 4.320 0.001 0.000 0.283 363 K C -0.672 175.807 176.600 -0.203 0.000 1.080 363 K CA -0.120 55.799 56.287 -0.613 0.000 0.965 363 K CB -0.406 31.740 32.500 -0.590 0.000 1.098 363 K HN 0.330 nan 8.250 nan 0.000 0.434 364 L N 3.503 124.742 121.223 0.027 0.000 2.453 364 L HA 0.027 4.367 4.340 0.001 0.000 0.272 364 L C 1.376 178.328 176.870 0.136 0.000 1.182 364 L CA -0.274 54.639 54.840 0.121 0.000 0.858 364 L CB 0.996 43.167 42.059 0.187 0.000 1.120 364 L HN 0.735 nan 8.230 nan 0.000 0.474 365 A N 1.859 124.723 122.820 0.073 0.000 2.081 365 A HA -0.002 4.319 4.320 0.001 0.000 0.214 365 A C 1.849 179.465 177.584 0.053 0.000 1.158 365 A CA 0.840 52.910 52.037 0.056 0.000 0.724 365 A CB 0.008 19.021 19.000 0.022 0.000 0.826 365 A HN 0.750 nan 8.150 nan 0.000 0.463 366 S N -0.716 115.016 115.700 0.053 0.000 2.540 366 S HA 0.234 4.705 4.470 0.001 0.000 0.222 366 S C 1.461 176.080 174.600 0.032 0.000 1.008 366 S CA -0.279 57.941 58.200 0.033 0.000 0.939 366 S CB 0.022 63.235 63.200 0.022 0.000 0.865 366 S HN 0.465 nan 8.310 nan 0.000 0.499 367 L N 1.912 123.169 121.223 0.056 0.000 2.012 367 L HA -0.198 4.143 4.340 0.001 0.000 0.210 367 L C 2.672 179.522 176.870 -0.032 0.000 1.073 367 L CA 1.736 56.591 54.840 0.025 0.000 0.748 367 L CB -0.710 41.392 42.059 0.072 0.000 0.891 367 L HN 0.416 nan 8.230 nan 0.000 0.431 368 A N -0.050 122.766 122.820 -0.007 0.000 1.873 368 A HA -0.299 4.021 4.320 0.001 0.000 0.218 368 A C 1.867 179.423 177.584 -0.047 0.000 1.193 368 A CA 2.269 54.286 52.037 -0.033 0.000 0.629 368 A CB -0.780 18.221 19.000 0.000 0.000 0.826 368 A HN 0.527 nan 8.150 nan 0.000 0.447 369 D N -0.115 120.270 120.400 -0.025 0.000 2.117 369 D HA -0.051 4.589 4.640 0.001 0.000 0.197 369 D C 2.213 178.490 176.300 -0.038 0.000 0.987 369 D CA 1.507 55.492 54.000 -0.025 0.000 0.829 369 D CB -0.509 40.284 40.800 -0.011 0.000 0.961 369 D HN 0.456 nan 8.370 nan 0.000 0.460 370 A N 0.735 123.527 122.820 -0.047 0.000 2.019 370 A HA -0.104 4.217 4.320 0.001 0.000 0.219 370 A C 2.332 179.842 177.584 -0.124 0.000 1.164 370 A CA 0.804 52.805 52.037 -0.060 0.000 0.644 370 A CB -0.638 18.332 19.000 -0.050 0.000 0.805 370 A HN 0.202 nan 8.150 nan 0.000 0.449 371 L N -1.433 119.669 121.223 -0.202 0.000 2.313 371 L HA -0.033 4.308 4.340 0.001 0.000 0.214 371 L C 2.238 179.080 176.870 -0.046 0.000 1.119 371 L CA 1.295 55.927 54.840 -0.348 0.000 0.809 371 L CB -0.122 41.657 42.059 -0.467 0.000 0.933 371 L HN 0.303 nan 8.230 nan 0.000 0.449 372 T N -1.309 113.221 114.554 -0.041 0.000 3.023 372 T HA 0.057 4.407 4.350 0.001 0.000 0.249 372 T C 1.127 175.822 174.700 -0.009 0.000 1.050 372 T CA 0.523 62.614 62.100 -0.014 0.000 1.088 372 T CB 0.321 69.174 68.868 -0.024 0.000 0.946 372 T HN 0.187 nan 8.240 nan 0.000 0.480 373 K N 0.705 121.098 120.400 -0.012 0.000 2.676 373 K HA 0.358 4.678 4.320 0.001 0.000 0.205 373 K C 1.257 177.850 176.600 -0.012 0.000 1.084 373 K CA -0.230 56.049 56.287 -0.014 0.000 1.057 373 K CB 1.016 33.508 32.500 -0.014 0.000 0.791 373 K HN 0.137 nan 8.250 nan 0.000 0.484 374 G N 0.624 109.422 108.800 -0.003 0.000 3.088 374 G HA2 -0.084 3.877 3.960 0.001 0.000 0.217 374 G HA3 -0.084 3.877 3.960 0.001 0.000 0.217 374 G C 1.277 176.158 174.900 -0.032 0.000 1.159 374 G CA -0.177 44.918 45.100 -0.007 0.000 0.760 374 G HN 0.027 nan 8.290 nan 0.000 0.550 375 R N 1.070 121.541 120.500 -0.048 0.000 2.073 375 R HA -0.040 4.300 4.340 0.001 0.000 0.234 375 R C 2.224 178.481 176.300 -0.071 0.000 1.134 375 R CA 1.013 57.063 56.100 -0.082 0.000 0.952 375 R CB -0.131 30.119 30.300 -0.084 0.000 0.850 375 R HN 0.083 nan 8.270 nan 0.000 0.433 376 K N 0.245 120.615 120.400 -0.050 0.000 2.032 376 K HA -0.082 4.238 4.320 0.001 0.000 0.209 376 K C 1.931 178.505 176.600 -0.043 0.000 1.048 376 K CA 1.557 57.819 56.287 -0.042 0.000 0.927 376 K CB -0.560 31.922 32.500 -0.030 0.000 0.712 376 K HN 0.230 nan 8.250 nan 0.000 0.441 377 A N -0.058 122.740 122.820 -0.037 0.000 2.119 377 A HA 0.113 4.434 4.320 0.001 0.000 0.217 377 A C 1.370 178.921 177.584 -0.055 0.000 1.153 377 A CA 1.469 53.486 52.037 -0.034 0.000 0.692 377 A CB -0.393 18.598 19.000 -0.015 0.000 0.799 377 A HN 0.426 nan 8.150 nan 0.000 0.458 378 G N -1.468 107.285 108.800 -0.078 0.000 2.149 378 G HA2 -0.179 3.782 3.960 0.001 0.000 0.235 378 G HA3 -0.179 3.782 3.960 0.001 0.000 0.235 378 G C 0.029 174.835 174.900 -0.157 0.000 1.018 378 G CA 0.181 45.210 45.100 -0.119 0.000 0.728 378 G HN 0.612 nan 8.290 nan 0.000 0.508 379 L N 0.054 121.209 121.223 -0.114 0.000 2.380 379 L HA 0.623 4.963 4.340 0.001 0.000 0.273 379 L C 0.404 177.177 176.870 -0.162 0.000 1.138 379 L CA -0.230 54.547 54.840 -0.104 0.000 0.832 379 L CB 0.487 42.533 42.059 -0.022 0.000 1.124 379 L HN 0.308 nan 8.230 nan 0.000 0.454 380 R N 4.081 124.413 120.500 -0.281 0.000 2.473 380 R HA 0.464 4.804 4.340 0.001 0.000 0.303 380 R C -1.282 174.935 176.300 -0.137 0.000 1.002 380 R CA -0.642 55.214 56.100 -0.408 0.000 0.884 380 R CB 2.102 31.624 30.300 -1.296 0.000 1.173 380 R HN 0.354 nan 8.270 nan 0.000 0.464 381 V N 3.757 123.759 119.914 0.147 0.000 2.427 381 V HA 0.418 4.539 4.120 0.001 0.000 0.286 381 V C -0.136 176.081 176.094 0.205 0.000 1.034 381 V CA -0.761 61.561 62.300 0.037 0.000 0.893 381 V CB 1.947 33.625 31.823 -0.241 0.000 0.982 381 V HN 0.418 nan 8.190 nan 0.000 0.452 382 V N 4.106 124.116 119.914 0.161 0.000 2.407 382 V HA 0.849 4.970 4.120 0.001 0.000 0.291 382 V C 0.157 176.377 176.094 0.210 0.000 1.018 382 V CA -0.324 62.088 62.300 0.188 0.000 0.842 382 V CB 1.432 33.213 31.823 -0.070 0.000 0.996 382 V HN 1.028 nan 8.190 nan 0.000 0.426 383 A N 3.559 126.497 122.820 0.196 0.000 2.454 383 A HA 0.964 5.284 4.320 0.001 0.000 0.302 383 A C 0.057 177.616 177.584 -0.042 0.000 1.079 383 A CA -0.245 51.826 52.037 0.056 0.000 0.731 383 A CB 1.898 20.871 19.000 -0.045 0.000 1.299 383 A HN 1.008 nan 8.150 nan 0.000 0.413 384 G N -0.204 108.600 108.800 0.007 0.000 2.410 384 G HA2 0.608 4.569 3.960 0.001 0.000 0.330 384 G HA3 0.608 4.569 3.960 0.001 0.000 0.330 384 G C -1.344 173.534 174.900 -0.036 0.000 1.142 384 G CA -0.277 44.823 45.100 0.000 0.000 0.902 384 G HN 0.582 nan 8.290 nan 0.000 0.491 385 L N -0.390 120.809 121.223 -0.040 0.000 2.469 385 L HA 0.474 4.815 4.340 0.001 0.000 0.256 385 L C 0.504 177.366 176.870 -0.013 0.000 1.006 385 L CA -0.519 54.296 54.840 -0.041 0.000 0.832 385 L CB 2.163 44.165 42.059 -0.094 0.000 1.421 385 L HN 0.783 nan 8.230 nan 0.000 0.410 386 Q N -0.377 119.422 119.800 -0.002 0.000 2.061 386 Q HA 0.396 4.737 4.340 0.001 0.000 0.159 386 Q C -0.474 175.529 176.000 0.005 0.000 0.530 386 Q CA -0.406 55.401 55.803 0.007 0.000 0.728 386 Q CB 0.418 29.166 28.738 0.018 0.000 1.004 386 Q HN 0.579 nan 8.270 nan 0.000 0.426 387 S N 0.914 116.620 115.700 0.010 0.000 2.508 387 S HA 0.160 4.630 4.470 0.001 0.000 0.284 387 S C 0.657 175.261 174.600 0.007 0.000 1.192 387 S CA -0.323 57.882 58.200 0.009 0.000 1.070 387 S CB 1.514 64.721 63.200 0.013 0.000 1.004 387 S HN 0.264 nan 8.310 nan 0.000 0.493 388 T N 2.616 117.172 114.554 0.003 0.000 2.778 388 T HA -0.147 4.204 4.350 0.001 0.000 0.269 388 T C 2.082 176.789 174.700 0.012 0.000 1.050 388 T CA 1.878 63.979 62.100 0.002 0.000 1.137 388 T CB -0.329 68.539 68.868 -0.000 0.000 0.860 388 T HN 0.781 nan 8.240 nan 0.000 0.468 389 S N 0.944 116.653 115.700 0.015 0.000 2.474 389 S HA -0.044 4.427 4.470 0.001 0.000 0.235 389 S C 1.918 176.536 174.600 0.030 0.000 0.997 389 S CA 0.437 58.650 58.200 0.021 0.000 0.949 389 S CB -0.283 62.927 63.200 0.017 0.000 0.766 389 S HN 0.498 nan 8.310 nan 0.000 0.517 390 Q N 0.326 120.146 119.800 0.033 0.000 1.994 390 Q HA 0.051 4.392 4.340 0.001 0.000 0.198 390 Q C 2.163 178.206 176.000 0.072 0.000 0.976 390 Q CA 1.322 57.152 55.803 0.045 0.000 0.828 390 Q CB -0.289 28.473 28.738 0.041 0.000 0.894 390 Q HN 0.497 nan 8.270 nan 0.000 0.432 391 L N 1.283 122.551 121.223 0.076 0.000 2.131 391 L HA -0.178 4.163 4.340 0.001 0.000 0.210 391 L C 1.344 178.310 176.870 0.160 0.000 1.092 391 L CA 1.788 56.708 54.840 0.134 0.000 0.759 391 L CB -0.338 41.746 42.059 0.042 0.000 0.903 391 L HN 0.152 nan 8.230 nan 0.000 0.435 392 D N -0.707 119.746 120.400 0.088 0.000 2.144 392 D HA -0.203 4.437 4.640 0.001 0.000 0.199 392 D C 1.772 178.117 176.300 0.076 0.000 0.984 392 D CA 1.406 55.451 54.000 0.076 0.000 0.834 392 D CB -0.065 40.760 40.800 0.042 0.000 0.955 392 D HN 0.432 nan 8.370 nan 0.000 0.465 393 D N -0.930 119.508 120.400 0.063 0.000 2.249 393 D HA -0.046 4.595 4.640 0.001 0.000 0.205 393 D C 1.842 178.158 176.300 0.027 0.000 0.962 393 D CA 0.310 54.333 54.000 0.038 0.000 0.860 393 D CB 0.406 41.223 40.800 0.027 0.000 0.955 393 D HN -0.025 nan 8.370 nan 0.000 0.505 394 V N -0.321 119.626 119.914 0.056 0.000 2.331 394 V HA -0.138 3.982 4.120 0.001 0.000 0.242 394 V C 1.526 177.540 176.094 -0.133 0.000 1.034 394 V CA 1.252 63.530 62.300 -0.036 0.000 1.027 394 V CB -0.574 31.249 31.823 0.001 0.000 0.667 394 V HN 0.207 nan 8.190 nan 0.000 0.457 395 Y N 0.539 120.841 120.300 0.003 0.000 2.510 395 Y HA 0.520 5.071 4.550 0.001 0.000 0.273 395 Y C 1.320 177.217 175.900 -0.005 0.000 1.119 395 Y CA 0.478 58.578 58.100 0.001 0.000 1.286 395 Y CB 0.092 38.558 38.460 0.010 0.000 1.061 395 Y HN 0.373 nan 8.280 nan 0.000 0.542 396 G N -0.608 108.272 108.800 0.133 0.000 2.650 396 G HA2 -0.159 3.802 3.960 0.001 0.000 0.686 396 G HA3 -0.159 3.802 3.960 0.001 0.000 0.686 396 G C 0.330 175.276 174.900 0.077 0.000 1.205 396 G CA -0.519 44.625 45.100 0.072 0.000 0.781 396 G HN -0.066 nan 8.290 nan 0.000 0.648 397 V N 1.569 121.510 119.914 0.045 0.000 2.332 397 V HA -0.211 3.910 4.120 0.001 0.000 0.248 397 V C 2.924 179.037 176.094 0.031 0.000 1.055 397 V CA 2.910 65.231 62.300 0.034 0.000 1.038 397 V CB -0.634 31.202 31.823 0.021 0.000 0.651 397 V HN 0.794 nan 8.190 nan 0.000 0.450 398 K N 0.026 120.445 120.400 0.030 0.000 2.001 398 K HA -0.153 4.167 4.320 0.001 0.000 0.208 398 K C 2.128 178.747 176.600 0.031 0.000 1.048 398 K CA 1.674 57.976 56.287 0.025 0.000 0.932 398 K CB -0.248 32.263 32.500 0.019 0.000 0.715 398 K HN 0.557 nan 8.250 nan 0.000 0.437 399 E N 0.668 120.901 120.200 0.056 0.000 2.204 399 E HA -0.129 4.222 4.350 0.001 0.000 0.194 399 E C 1.928 178.541 176.600 0.021 0.000 0.989 399 E CA 0.775 57.216 56.400 0.069 0.000 0.824 399 E CB -0.038 29.753 29.700 0.152 0.000 0.756 399 E HN 0.310 nan 8.360 nan 0.000 0.477 400 A N 1.311 124.152 122.820 0.035 0.000 1.929 400 A HA -0.207 4.114 4.320 0.001 0.000 0.216 400 A C 2.135 179.694 177.584 -0.042 0.000 1.176 400 A CA 1.114 53.129 52.037 -0.037 0.000 0.628 400 A CB -0.319 18.700 19.000 0.031 0.000 0.816 400 A HN 0.179 nan 8.150 nan 0.000 0.444 401 Q N -0.557 119.239 119.800 -0.008 0.000 2.084 401 Q HA -0.156 4.184 4.340 0.001 0.000 0.202 401 Q C 1.917 177.918 176.000 0.001 0.000 0.978 401 Q CA 2.036 57.838 55.803 -0.002 0.000 0.844 401 Q CB -0.230 28.512 28.738 0.006 0.000 0.898 401 Q HN 0.581 nan 8.270 nan 0.000 0.426 402 T N 1.386 115.939 114.554 -0.003 0.000 2.821 402 T HA -0.131 4.219 4.350 0.001 0.000 0.267 402 T C 1.680 176.380 174.700 -0.001 0.000 1.046 402 T CA 0.957 63.058 62.100 0.001 0.000 1.139 402 T CB -0.168 68.700 68.868 0.000 0.000 0.871 402 T HN 0.160 nan 8.240 nan 0.000 0.454 403 L N 1.266 122.465 121.223 -0.039 0.000 2.005 403 L HA 0.070 4.411 4.340 0.001 0.000 0.207 403 L C 2.508 179.450 176.870 0.120 0.000 1.072 403 L CA 1.663 56.482 54.840 -0.034 0.000 0.744 403 L CB -0.505 41.407 42.059 -0.244 0.000 0.895 403 L HN 0.053 nan 8.230 nan 0.000 0.433 404 R N -0.708 119.821 120.500 0.048 0.000 2.091 404 R HA -0.144 4.197 4.340 0.001 0.000 0.238 404 R C 2.108 178.514 176.300 0.176 0.000 1.136 404 R CA 1.314 57.461 56.100 0.078 0.000 0.959 404 R CB -0.675 29.616 30.300 -0.016 0.000 0.856 404 R HN 0.490 nan 8.270 nan 0.000 0.437 405 A N 0.426 123.310 122.820 0.106 0.000 2.125 405 A HA -0.092 4.229 4.320 0.001 0.000 0.219 405 A C 1.906 179.555 177.584 0.110 0.000 1.156 405 A CA 1.347 53.439 52.037 0.091 0.000 0.671 405 A CB -0.143 18.885 19.000 0.047 0.000 0.794 405 A HN 0.197 nan 8.150 nan 0.000 0.459 406 S N -1.038 114.740 115.700 0.130 0.000 2.603 406 S HA 0.212 4.682 4.470 0.001 0.000 0.220 406 S C -0.311 174.282 174.600 -0.012 0.000 0.967 406 S CA 0.009 58.227 58.200 0.030 0.000 0.920 406 S CB -0.270 62.882 63.200 -0.081 0.000 0.773 406 S HN 0.438 nan 8.310 nan 0.000 0.529 407 F N 2.143 122.133 119.950 0.066 0.000 2.332 407 F HA 0.427 4.955 4.527 0.001 0.000 0.368 407 F C 1.266 177.110 175.800 0.073 0.000 1.110 407 F CA -1.021 57.041 58.000 0.104 0.000 1.087 407 F CB 0.864 39.904 39.000 0.067 0.000 1.235 407 F HN -0.178 nan 8.300 nan 0.000 0.470 408 R N 0.477 121.080 120.500 0.173 0.000 2.148 408 R HA 0.066 4.406 4.340 0.001 0.000 0.223 408 R C 0.241 176.625 176.300 0.139 0.000 1.088 408 R CA 0.340 56.510 56.100 0.117 0.000 0.985 408 R CB -0.257 30.072 30.300 0.048 0.000 0.880 408 R HN 0.359 nan 8.270 nan 0.000 0.451 409 S N 0.962 116.771 115.700 0.182 0.000 2.509 409 S HA 0.517 4.987 4.470 0.001 0.000 0.297 409 S C -0.599 174.078 174.600 0.128 0.000 1.118 409 S CA -0.682 57.622 58.200 0.173 0.000 1.074 409 S CB 1.835 65.197 63.200 0.269 0.000 1.038 409 S HN 0.088 nan 8.310 nan 0.000 0.498 410 L N 3.424 124.669 121.223 0.037 0.000 2.408 410 L HA 0.771 5.112 4.340 0.001 0.000 0.268 410 L C -1.547 175.300 176.870 -0.040 0.000 0.986 410 L CA -0.447 54.401 54.840 0.013 0.000 0.820 410 L CB 1.817 43.887 42.059 0.018 0.000 1.303 410 L HN 0.457 nan 8.230 nan 0.000 0.411 411 V N 5.031 124.934 119.914 -0.018 0.000 2.540 411 V HA 0.584 4.705 4.120 0.001 0.000 0.302 411 V C -0.783 175.325 176.094 0.024 0.000 1.035 411 V CA -0.649 61.642 62.300 -0.014 0.000 0.873 411 V CB 2.070 33.886 31.823 -0.012 0.000 0.992 411 V HN 0.517 nan 8.190 nan 0.000 0.428 412 V N 6.301 126.256 119.914 0.069 0.000 2.350 412 V HA 0.310 4.430 4.120 0.001 0.000 0.285 412 V C 0.312 176.473 176.094 0.111 0.000 1.014 412 V CA -0.257 62.100 62.300 0.095 0.000 0.831 412 V CB 1.444 33.342 31.823 0.125 0.000 1.000 412 V HN 0.661 nan 8.190 nan 0.000 0.433 413 L N 3.594 124.856 121.223 0.065 0.000 2.567 413 L HA 0.506 4.847 4.340 0.001 0.000 0.225 413 L C 1.214 178.115 176.870 0.051 0.000 1.119 413 L CA 0.896 55.763 54.840 0.045 0.000 0.871 413 L CB -0.883 41.194 42.059 0.030 0.000 1.036 413 L HN 1.016 nan 8.230 nan 0.000 0.459 414 G N -1.183 107.661 108.800 0.073 0.000 3.039 414 G HA2 0.205 4.166 3.960 0.001 0.000 0.686 414 G HA3 0.205 4.166 3.960 0.001 0.000 0.686 414 G C -0.009 174.916 174.900 0.041 0.000 1.066 414 G CA -0.519 44.620 45.100 0.066 0.000 0.774 414 G HN 0.520 nan 8.290 nan 0.000 0.591 415 G N -0.314 108.508 108.800 0.036 0.000 3.107 415 G HA2 0.891 4.852 3.960 0.001 0.000 0.232 415 G HA3 0.891 4.852 3.960 0.001 0.000 0.232 415 G C 0.282 175.194 174.900 0.021 0.000 1.339 415 G CA 0.601 45.715 45.100 0.025 0.000 1.033 415 G HN 1.826 nan 8.290 nan 0.000 0.567 416 S N -1.297 114.413 115.700 0.016 0.000 2.562 416 S HA 0.213 4.684 4.470 0.001 0.000 0.275 416 S C 1.679 176.287 174.600 0.012 0.000 1.281 416 S CA -0.408 57.800 58.200 0.013 0.000 1.045 416 S CB 0.824 64.031 63.200 0.011 0.000 0.962 416 S HN 0.562 nan 8.310 nan 0.000 0.503 417 R N 1.742 122.249 120.500 0.011 0.000 2.189 417 R HA -0.028 4.313 4.340 0.001 0.000 0.223 417 R C 1.732 178.037 176.300 0.008 0.000 1.092 417 R CA 1.458 57.563 56.100 0.009 0.000 0.989 417 R CB -1.218 29.087 30.300 0.008 0.000 0.876 417 R HN 0.740 nan 8.270 nan 0.000 0.457 418 T N -1.741 112.817 114.554 0.008 0.000 3.215 418 T HA -0.042 4.308 4.350 0.001 0.000 0.254 418 T C 0.310 175.014 174.700 0.007 0.000 1.149 418 T CA 0.351 62.456 62.100 0.007 0.000 1.042 418 T CB 0.064 68.936 68.868 0.007 0.000 0.966 418 T HN 0.022 nan 8.240 nan 0.000 0.534 419 D N 1.734 122.139 120.400 0.008 0.000 2.749 419 D HA 0.278 4.918 4.640 0.001 0.000 0.338 419 D C -1.578 174.726 176.300 0.006 0.000 1.236 419 D CA -2.359 51.646 54.000 0.007 0.000 0.845 419 D CB 1.336 42.141 40.800 0.008 0.000 1.080 419 D HN 0.089 nan 8.370 nan 0.000 0.497 420 P HA -0.150 nan 4.420 nan 0.000 0.220 420 P C 1.268 178.568 177.300 0.001 0.000 1.148 420 P CA 0.679 63.781 63.100 0.003 0.000 0.803 420 P CB 0.718 32.420 31.700 0.003 0.000 0.782 421 K N -0.473 119.929 120.400 0.002 0.000 2.057 421 K HA -0.045 4.275 4.320 0.001 0.000 0.206 421 K C 2.146 178.746 176.600 -0.000 0.000 1.050 421 K CA 1.754 58.041 56.287 0.001 0.000 0.935 421 K CB -0.466 32.035 32.500 0.002 0.000 0.715 421 K HN 0.111 nan 8.250 nan 0.000 0.439 422 T N 1.252 115.807 114.554 0.001 0.000 2.904 422 T HA -0.041 4.310 4.350 0.001 0.000 0.267 422 T C 1.431 176.130 174.700 -0.002 0.000 1.059 422 T CA 0.877 62.977 62.100 -0.001 0.000 1.137 422 T CB -0.162 68.707 68.868 0.002 0.000 0.879 422 T HN 0.174 nan 8.240 nan 0.000 0.467 423 N N 1.313 120.013 118.700 -0.000 0.000 2.166 423 N HA -0.103 4.638 4.740 0.001 0.000 0.186 423 N C 1.927 177.431 175.510 -0.011 0.000 1.019 423 N CA 1.098 54.147 53.050 -0.002 0.000 0.856 423 N CB -0.324 38.164 38.487 0.002 0.000 0.993 423 N HN 0.438 nan 8.380 nan 0.000 0.426 424 E N 1.242 121.436 120.200 -0.009 0.000 2.106 424 E HA -0.117 4.234 4.350 0.001 0.000 0.192 424 E C 0.970 177.560 176.600 -0.016 0.000 0.984 424 E CA 1.261 57.654 56.400 -0.013 0.000 0.806 424 E CB -0.177 29.518 29.700 -0.008 0.000 0.750 424 E HN 0.174 nan 8.360 nan 0.000 0.458 425 D N -0.506 119.887 120.400 -0.013 0.000 2.144 425 D HA -0.132 4.509 4.640 0.001 0.000 0.200 425 D C 1.712 178.001 176.300 -0.019 0.000 0.978 425 D CA 1.004 54.996 54.000 -0.013 0.000 0.833 425 D CB -0.100 40.694 40.800 -0.010 0.000 0.961 425 D HN 0.259 nan 8.370 nan 0.000 0.470 426 M N 0.188 119.776 119.600 -0.021 0.000 2.156 426 M HA -0.046 4.434 4.480 0.001 0.000 0.264 426 M C 2.313 178.582 176.300 -0.051 0.000 1.067 426 M CA 0.708 55.991 55.300 -0.028 0.000 1.131 426 M CB -1.170 31.419 32.600 -0.018 0.000 1.368 426 M HN -0.071 nan 8.290 nan 0.000 0.416 427 S N 0.663 116.330 115.700 -0.055 0.000 2.359 427 S HA -0.110 4.361 4.470 0.001 0.000 0.224 427 S C 2.062 176.624 174.600 -0.063 0.000 1.035 427 S CA 1.065 59.219 58.200 -0.076 0.000 1.018 427 S CB -0.231 62.934 63.200 -0.057 0.000 0.876 427 S HN 0.444 nan 8.310 nan 0.000 0.448 428 L N 0.933 122.132 121.223 -0.041 0.000 2.012 428 L HA -0.109 4.232 4.340 0.001 0.000 0.210 428 L C 2.721 179.574 176.870 -0.028 0.000 1.073 428 L CA 1.656 56.478 54.840 -0.030 0.000 0.748 428 L CB -0.534 41.514 42.059 -0.019 0.000 0.891 428 L HN 0.359 nan 8.230 nan 0.000 0.431 429 S N -0.302 115.381 115.700 -0.027 0.000 2.382 429 S HA -0.142 4.328 4.470 0.001 0.000 0.228 429 S C 1.790 176.374 174.600 -0.026 0.000 1.027 429 S CA 0.862 59.051 58.200 -0.019 0.000 0.991 429 S CB -0.192 63.000 63.200 -0.014 0.000 0.823 429 S HN 0.207 nan 8.310 nan 0.000 0.469 430 L N 0.872 122.063 121.223 -0.054 0.000 2.131 430 L HA 0.126 4.466 4.340 0.001 0.000 0.210 430 L C 1.492 178.331 176.870 -0.051 0.000 1.092 430 L CA 1.565 56.361 54.840 -0.072 0.000 0.759 430 L CB -2.217 39.747 42.059 -0.158 0.000 0.903 430 L HN 0.514 nan 8.230 nan 0.000 0.435 431 G N -0.290 108.481 108.800 -0.048 0.000 2.699 431 G HA2 -0.151 3.809 3.960 0.001 0.000 0.686 431 G HA3 -0.151 3.809 3.960 0.001 0.000 0.686 431 G C -0.390 174.480 174.900 -0.050 0.000 1.301 431 G CA -0.631 44.451 45.100 -0.030 0.000 0.816 431 G HN 0.233 nan 8.290 nan 0.000 0.595 432 E N -0.240 119.942 120.200 -0.030 0.000 2.259 432 E HA 0.700 5.051 4.350 0.001 0.000 0.257 432 E C 0.292 176.914 176.600 0.037 0.000 0.998 432 E CA -0.594 55.778 56.400 -0.046 0.000 0.866 432 E CB 1.505 31.192 29.700 -0.021 0.000 1.220 432 E HN 0.847 nan 8.360 nan 0.000 0.415 433 H N -1.746 117.281 119.070 -0.072 0.000 2.980 433 H HA 0.505 5.061 4.556 0.001 0.000 0.367 433 H C -1.153 174.041 175.328 -0.224 0.000 1.206 433 H CA -0.999 54.987 56.048 -0.103 0.000 1.126 433 H CB 1.888 31.647 29.762 -0.005 0.000 1.838 433 H HN 0.311 nan 8.280 nan 0.000 0.552 434 E N 1.783 121.808 120.200 -0.290 0.000 2.171 434 E HA 0.492 4.842 4.350 0.001 0.000 0.271 434 E C -1.478 174.727 176.600 -0.658 0.000 0.916 434 E CA -0.992 55.190 56.400 -0.364 0.000 0.774 434 E CB 2.771 32.296 29.700 -0.291 0.000 1.128 434 E HN 0.331 nan 8.360 nan 0.000 0.403 435 V N 3.075 122.647 119.914 -0.569 0.000 3.087 435 V HA 0.229 4.349 4.120 0.001 0.000 0.306 435 V C -1.318 174.595 176.094 -0.302 0.000 1.187 435 V CA -0.718 61.200 62.300 -0.636 0.000 0.999 435 V CB 2.527 33.620 31.823 -1.217 0.000 1.049 435 V HN 0.647 nan 8.190 nan 0.000 0.431 436 E N 3.451 123.549 120.200 -0.169 0.000 2.156 436 E HA 0.587 4.938 4.350 0.001 0.000 0.279 436 E C -0.721 175.915 176.600 0.060 0.000 0.965 436 E CA -0.570 55.803 56.400 -0.046 0.000 0.789 436 E CB 2.301 31.984 29.700 -0.028 0.000 1.098 436 E HN 0.368 nan 8.360 nan 0.000 0.397 437 R N 1.610 122.143 120.500 0.055 0.000 2.854 437 R HA 0.258 4.599 4.340 0.001 0.000 0.271 437 R C -1.237 175.086 176.300 0.038 0.000 0.994 437 R CA -0.814 55.351 56.100 0.109 0.000 0.945 437 R CB 1.451 31.837 30.300 0.143 0.000 1.194 437 R HN 0.438 nan 8.270 nan 0.000 0.476 438 D N 1.947 122.368 120.400 0.036 0.000 2.232 438 D HA 0.133 4.774 4.640 0.001 0.000 0.242 438 D C -0.450 175.790 176.300 -0.099 0.000 1.093 438 D CA -0.034 53.886 54.000 -0.134 0.000 0.845 438 D CB 1.290 41.937 40.800 -0.255 0.000 1.124 438 D HN 0.180 nan 8.370 nan 0.000 0.467 439 R N 4.343 124.749 120.500 -0.157 0.000 2.471 439 R HA 0.126 4.467 4.340 0.001 0.000 0.292 439 R C -0.770 175.477 176.300 -0.087 0.000 1.192 439 R CA -0.495 55.579 56.100 -0.044 0.000 1.257 439 R CB -0.310 29.976 30.300 -0.023 0.000 1.130 439 R HN 0.342 nan 8.270 nan 0.000 0.558 440 Y N 0.809 121.126 120.300 0.029 0.000 2.457 440 Y HA 0.038 4.588 4.550 0.001 0.000 0.341 440 Y C 1.322 177.233 175.900 0.019 0.000 1.240 440 Y CA 1.008 59.122 58.100 0.023 0.000 1.437 440 Y CB 1.044 39.518 38.460 0.022 0.000 1.328 440 Y HN 0.581 nan 8.280 nan 0.000 0.588 441 S N 0.517 116.326 115.700 0.181 0.000 4.078 441 S HA 0.555 5.026 4.470 0.001 0.000 0.290 441 S C -1.635 173.020 174.600 0.091 0.000 1.069 441 S CA -0.271 57.992 58.200 0.104 0.000 1.246 441 S CB 0.806 64.039 63.200 0.056 0.000 1.659 441 S HN 0.666 nan 8.310 nan 0.000 0.624 442 K N 0.339 120.774 120.400 0.058 0.000 5.333 442 K HA -0.071 4.249 4.320 0.001 0.000 0.821 442 K C -1.659 174.962 176.600 0.035 0.000 2.144 442 K CA -0.066 56.248 56.287 0.045 0.000 1.648 442 K CB -0.850 31.682 32.500 0.052 0.000 3.100 442 K HN 0.677 nan 8.250 nan 0.000 0.215 443 N N 0.998 119.713 118.700 0.026 0.000 2.476 443 N HA 0.511 5.251 4.740 0.001 0.000 0.287 443 N C -0.184 175.337 175.510 0.019 0.000 1.262 443 N CA 0.314 53.376 53.050 0.021 0.000 0.980 443 N CB 1.230 39.727 38.487 0.017 0.000 1.163 443 N HN 0.780 nan 8.380 nan 0.000 0.592 453 A N 4.702 127.383 122.820 -0.232 0.000 2.331 453 A HA 0.608 4.928 4.320 0.001 0.000 0.320 453 A C -1.062 176.442 177.584 -0.132 0.000 1.138 453 A CA -0.633 51.324 52.037 -0.134 0.000 0.790 453 A CB 1.292 20.243 19.000 -0.083 0.000 1.206 453 A HN 0.542 nan 8.150 nan 0.000 0.470 454 L N 2.323 123.491 121.223 -0.093 0.000 2.305 454 L HA 0.438 4.779 4.340 0.001 0.000 0.281 454 L C 0.436 177.278 176.870 -0.047 0.000 1.085 454 L CA 0.395 55.194 54.840 -0.068 0.000 0.813 454 L CB 1.075 43.104 42.059 -0.051 0.000 1.157 454 L HN 0.827 nan 8.230 nan 0.000 0.436 455 E N 3.192 123.372 120.200 -0.034 0.000 2.248 455 E HA 0.645 4.995 4.350 0.001 0.000 0.267 455 E C -0.972 175.609 176.600 -0.032 0.000 0.877 455 E CA -1.194 55.190 56.400 -0.027 0.000 0.759 455 E CB 1.686 31.379 29.700 -0.013 0.000 1.182 455 E HN 0.228 nan 8.360 nan 0.000 0.418 456 R N 1.246 121.721 120.500 -0.043 0.000 2.297 456 R HA 0.583 4.923 4.340 0.001 0.000 0.308 456 R C -1.110 175.157 176.300 -0.056 0.000 1.029 456 R CA -0.504 55.556 56.100 -0.066 0.000 0.929 456 R CB 1.765 32.022 30.300 -0.072 0.000 1.046 456 R HN 0.447 nan 8.270 nan 0.000 0.461 457 V N 3.152 123.020 119.914 -0.077 0.000 2.851 457 V HA 0.458 4.579 4.120 0.001 0.000 0.307 457 V C -0.720 175.340 176.094 -0.056 0.000 1.129 457 V CA -0.906 61.369 62.300 -0.043 0.000 0.932 457 V CB 2.259 34.083 31.823 0.003 0.000 1.024 457 V HN 0.637 nan 8.190 nan 0.000 0.426 458 R N 3.538 124.028 120.500 -0.016 0.000 2.460 458 R HA 0.745 5.085 4.340 0.001 0.000 0.303 458 R C -0.630 175.703 176.300 0.055 0.000 0.968 458 R CA -0.263 55.842 56.100 0.009 0.000 0.889 458 R CB 1.382 31.672 30.300 -0.016 0.000 1.123 458 R HN 0.959 nan 8.270 nan 0.000 0.455 459 E N 2.974 123.231 120.200 0.096 0.000 2.437 459 E HA 0.385 4.735 4.350 0.001 0.000 0.280 459 E C -1.181 175.376 176.600 -0.072 0.000 1.044 459 E CA -1.249 55.178 56.400 0.045 0.000 0.826 459 E CB 0.850 30.627 29.700 0.130 0.000 1.358 459 E HN 0.243 nan 8.360 nan 0.000 0.459 460 R N 0.883 121.355 120.500 -0.045 0.000 2.389 460 R HA 0.171 4.512 4.340 0.001 0.000 0.295 460 R C 0.937 177.174 176.300 -0.104 0.000 1.075 460 R CA -0.160 55.892 56.100 -0.081 0.000 1.005 460 R CB 1.115 31.392 30.300 -0.038 0.000 0.987 460 R HN 0.501 nan 8.270 nan 0.000 0.452 461 V N 2.608 122.401 119.914 -0.201 0.000 2.407 461 V HA -0.118 4.003 4.120 0.001 0.000 0.248 461 V C 0.980 177.132 176.094 0.097 0.000 1.055 461 V CA 1.386 63.614 62.300 -0.119 0.000 1.049 461 V CB -0.039 31.696 31.823 -0.146 0.000 0.662 461 V HN 0.385 nan 8.190 nan 0.000 0.455 462 V N 0.831 120.697 119.914 -0.080 0.000 2.482 462 V HA 0.374 4.494 4.120 0.001 0.000 0.295 462 V C -0.197 175.825 176.094 -0.120 0.000 1.026 462 V CA -0.472 61.722 62.300 -0.177 0.000 0.856 462 V CB 1.640 33.155 31.823 -0.513 0.000 1.001 462 V HN 0.244 nan 8.190 nan 0.000 0.424 463 M N 5.467 125.028 119.600 -0.066 0.000 2.226 463 M HA 0.238 4.718 4.480 0.001 0.000 0.324 463 M C -1.401 174.875 176.300 -0.040 0.000 1.112 463 M CA -1.193 54.083 55.300 -0.040 0.000 1.176 463 M CB 1.050 33.638 32.600 -0.021 0.000 1.430 463 M HN 0.313 nan 8.290 nan 0.000 0.462 464 P HA -0.126 nan 4.420 nan 0.000 0.216 464 P C 0.783 178.082 177.300 -0.002 0.000 1.150 464 P CA 1.556 64.645 63.100 -0.017 0.000 0.837 464 P CB 0.008 31.702 31.700 -0.011 0.000 0.786 465 A N -0.016 122.804 122.820 -0.000 0.000 1.972 465 A HA -0.230 4.090 4.320 0.001 0.000 0.219 465 A C 2.079 179.674 177.584 0.020 0.000 1.169 465 A CA 1.561 53.603 52.037 0.008 0.000 0.635 465 A CB -1.124 17.878 19.000 0.004 0.000 0.810 465 A HN 0.204 nan 8.150 nan 0.000 0.446 466 E N -0.464 119.749 120.200 0.021 0.000 2.150 466 E HA -0.105 4.246 4.350 0.001 0.000 0.193 466 E C 1.758 178.423 176.600 0.108 0.000 0.985 466 E CA 0.976 57.411 56.400 0.059 0.000 0.814 466 E CB -0.213 29.523 29.700 0.061 0.000 0.752 466 E HN 0.721 nan 8.360 nan 0.000 0.466 467 I N 0.855 121.471 120.570 0.077 0.000 2.333 467 I HA -0.169 4.001 4.170 0.001 0.000 0.246 467 I C 2.494 178.654 176.117 0.071 0.000 1.106 467 I CA 0.660 62.022 61.300 0.102 0.000 1.411 467 I CB -0.172 37.856 38.000 0.047 0.000 1.082 467 I HN 0.047 nan 8.210 nan 0.000 0.420 468 A N 0.613 123.459 122.820 0.043 0.000 1.969 468 A HA -0.119 4.202 4.320 0.001 0.000 0.218 468 A C 1.738 179.340 177.584 0.030 0.000 1.169 468 A CA 1.349 53.404 52.037 0.031 0.000 0.635 468 A CB -0.450 18.562 19.000 0.020 0.000 0.810 468 A HN 0.424 nan 8.150 nan 0.000 0.445 469 N N 0.003 118.723 118.700 0.034 0.000 2.276 469 N HA 0.169 4.909 4.740 0.001 0.000 0.212 469 N C -0.383 175.145 175.510 0.031 0.000 1.127 469 N CA -0.018 53.048 53.050 0.027 0.000 0.834 469 N CB 0.264 38.764 38.487 0.021 0.000 1.014 469 N HN 0.398 nan 8.380 nan 0.000 0.491 470 L N 3.243 124.492 121.223 0.043 0.000 2.410 470 L HA 0.178 4.518 4.340 0.001 0.000 0.273 470 L C -1.659 175.215 176.870 0.008 0.000 1.144 470 L CA -1.107 53.752 54.840 0.032 0.000 0.863 470 L CB 0.675 42.767 42.059 0.054 0.000 1.140 470 L HN -0.098 nan 8.230 nan 0.000 0.463 471 P HA 0.086 nan 4.420 nan 0.000 0.274 471 P C -0.995 176.296 177.300 -0.014 0.000 1.237 471 P CA -0.556 62.537 63.100 -0.011 0.000 0.793 471 P CB 0.760 32.449 31.700 -0.018 0.000 0.977 472 D N 1.446 121.841 120.400 -0.008 0.000 2.368 472 D HA 0.065 4.706 4.640 0.001 0.000 0.240 472 D C 1.040 177.333 176.300 -0.011 0.000 1.169 472 D CA 0.027 54.023 54.000 -0.006 0.000 0.906 472 D CB 0.342 41.142 40.800 -0.001 0.000 1.187 472 D HN 0.438 nan 8.370 nan 0.000 0.435 473 L N -0.467 120.752 121.223 -0.007 0.000 3.865 473 L HA -0.216 4.124 4.340 0.001 0.000 0.408 473 L C -0.317 176.537 176.870 -0.026 0.000 1.209 473 L CA 0.514 55.349 54.840 -0.007 0.000 0.940 473 L CB -2.272 39.785 42.059 -0.003 0.000 1.971 473 L HN 0.372 nan 8.230 nan 0.000 0.899 474 T N -0.454 114.073 114.554 -0.044 0.000 2.886 474 T HA 0.836 5.186 4.350 0.001 0.000 0.292 474 T C -0.159 174.474 174.700 -0.113 0.000 1.012 474 T CA 0.030 62.074 62.100 -0.092 0.000 0.982 474 T CB 2.358 71.159 68.868 -0.112 0.000 1.018 474 T HN 0.408 nan 8.240 nan 0.000 0.451 475 A N 2.102 124.823 122.820 -0.165 0.000 2.547 475 A HA 0.727 5.048 4.320 0.001 0.000 0.297 475 A C -2.026 175.430 177.584 -0.212 0.000 1.056 475 A CA -0.792 51.163 52.037 -0.137 0.000 0.688 475 A CB 1.066 20.038 19.000 -0.046 0.000 1.282 475 A HN 0.755 nan 8.150 nan 0.000 0.400 476 Y N 1.034 121.321 120.300 -0.022 0.000 2.350 476 Y HA 0.447 4.997 4.550 0.001 0.000 0.340 476 Y C 0.240 176.095 175.900 -0.074 0.000 1.006 476 Y CA -0.136 57.946 58.100 -0.030 0.000 1.166 476 Y CB 1.629 40.079 38.460 -0.017 0.000 1.168 476 Y HN 0.379 nan 8.280 nan 0.000 0.502 477 V N 3.429 123.353 119.914 0.017 0.000 2.350 477 V HA 0.619 4.739 4.120 0.001 0.000 0.276 477 V C 0.363 176.337 176.094 -0.199 0.000 1.028 477 V CA -0.707 61.489 62.300 -0.175 0.000 0.860 477 V CB 1.257 32.919 31.823 -0.268 0.000 0.990 477 V HN 0.925 nan 8.190 nan 0.000 0.453 478 G N 4.358 113.014 108.800 -0.239 0.000 2.814 478 G HA2 0.604 4.564 3.960 0.001 0.000 0.300 478 G HA3 0.604 4.564 3.960 0.001 0.000 0.300 478 G C -0.876 173.936 174.900 -0.146 0.000 1.406 478 G CA -0.282 44.743 45.100 -0.126 0.000 1.041 478 G HN 0.343 nan 8.290 nan 0.000 0.532 479 F N 1.772 121.761 119.950 0.065 0.000 2.380 479 F HA 0.579 5.106 4.527 0.001 0.000 0.325 479 F C 1.237 177.064 175.800 0.045 0.000 1.136 479 F CA -0.214 57.820 58.000 0.058 0.000 1.171 479 F CB 1.202 40.233 39.000 0.051 0.000 1.230 479 F HN 0.582 nan 8.300 nan 0.000 0.554 480 A N 1.392 124.379 122.820 0.278 0.000 2.475 480 A HA 0.466 4.786 4.320 0.001 0.000 0.239 480 A C 0.903 178.554 177.584 0.112 0.000 1.087 480 A CA 0.335 52.459 52.037 0.145 0.000 0.779 480 A CB -0.933 18.124 19.000 0.095 0.000 1.036 480 A HN 1.638 nan 8.150 nan 0.000 0.506 481 G N 0.192 109.034 108.800 0.070 0.000 2.645 481 G HA2 -0.228 3.732 3.960 0.001 0.000 0.246 481 G HA3 -0.228 3.732 3.960 0.001 0.000 0.246 481 G C 0.078 175.015 174.900 0.062 0.000 1.322 481 G CA 0.343 45.474 45.100 0.052 0.000 0.898 481 G HN 1.682 nan 8.290 nan 0.000 0.573 482 N N 1.769 120.499 118.700 0.050 0.000 2.895 482 N HA 0.326 5.066 4.740 0.001 0.000 0.277 482 N C 0.358 175.904 175.510 0.059 0.000 1.185 482 N CA 0.117 53.198 53.050 0.053 0.000 1.106 482 N CB -0.314 38.199 38.487 0.042 0.000 1.422 482 N HN 0.629 nan 8.380 nan 0.000 0.521 483 R N 1.675 122.222 120.500 0.079 0.000 2.771 483 R HA 0.554 4.895 4.340 0.001 0.000 0.274 483 R C -2.664 173.686 176.300 0.083 0.000 0.987 483 R CA -1.590 54.564 56.100 0.091 0.000 0.908 483 R CB 1.029 31.418 30.300 0.149 0.000 1.213 483 R HN 0.286 nan 8.270 nan 0.000 0.468 484 P HA 0.323 nan 4.420 nan 0.000 0.276 484 P C -0.073 177.272 177.300 0.075 0.000 1.261 484 P CA -0.532 62.593 63.100 0.042 0.000 0.800 484 P CB 0.812 32.517 31.700 0.009 0.000 1.066 485 I N -2.644 117.967 120.570 0.068 0.000 3.062 485 I HA 0.859 5.029 4.170 0.001 0.000 0.316 485 I C -0.617 175.569 176.117 0.115 0.000 1.041 485 I CA -1.285 60.065 61.300 0.083 0.000 1.069 485 I CB 1.669 39.718 38.000 0.081 0.000 1.300 485 I HN 0.422 nan 8.210 nan 0.000 0.518 486 A N 2.281 125.182 122.820 0.135 0.000 2.589 486 A HA 0.507 4.827 4.320 0.001 0.000 0.296 486 A C -1.232 176.412 177.584 0.099 0.000 1.062 486 A CA -0.833 51.280 52.037 0.127 0.000 0.686 486 A CB 1.593 20.643 19.000 0.082 0.000 1.282 486 A HN 0.764 nan 8.150 nan 0.000 0.404 487 K N 1.785 122.197 120.400 0.021 0.000 2.267 487 K HA 0.588 4.909 4.320 0.001 0.000 0.282 487 K C -1.315 175.193 176.600 -0.153 0.000 1.078 487 K CA -0.169 55.962 56.287 -0.261 0.000 0.903 487 K CB 0.707 33.017 32.500 -0.317 0.000 1.111 487 K HN 0.476 nan 8.250 nan 0.000 0.475 488 V N 6.639 126.460 119.914 -0.155 0.000 2.680 488 V HA 0.476 4.596 4.120 0.001 0.000 0.309 488 V C -2.262 173.785 176.094 -0.080 0.000 1.052 488 V CA -1.906 60.349 62.300 -0.077 0.000 0.908 488 V CB 1.773 33.580 31.823 -0.026 0.000 1.001 488 V HN 0.821 nan 8.190 nan 0.000 0.431 489 P HA 0.441 nan 4.420 nan 0.000 0.288 489 P C -1.202 176.092 177.300 -0.009 0.000 1.267 489 P CA -0.457 62.621 63.100 -0.036 0.000 0.815 489 P CB 1.563 33.246 31.700 -0.028 0.000 0.989 490 L N 2.049 123.270 121.223 -0.003 0.000 2.292 490 L HA 0.354 4.695 4.340 0.001 0.000 0.284 490 L C 1.053 177.936 176.870 0.022 0.000 1.065 490 L CA -0.447 54.405 54.840 0.021 0.000 0.806 490 L CB 0.851 42.926 42.059 0.026 0.000 1.175 490 L HN 0.412 nan 8.230 nan 0.000 0.431 491 E N 3.959 124.178 120.200 0.033 0.000 2.200 491 E HA 0.264 4.614 4.350 0.001 0.000 0.283 491 E C -0.554 176.063 176.600 0.027 0.000 1.015 491 E CA -0.707 55.706 56.400 0.022 0.000 0.819 491 E CB 0.963 30.675 29.700 0.020 0.000 1.081 491 E HN 0.483 nan 8.360 nan 0.000 0.397 492 I N 5.460 126.035 120.570 0.008 0.000 2.352 492 I HA 0.056 4.226 4.170 0.001 0.000 0.303 492 I C 0.666 176.760 176.117 -0.038 0.000 1.194 492 I CA 0.059 61.364 61.300 0.009 0.000 1.518 492 I CB -0.311 37.688 38.000 -0.002 0.000 1.489 492 I HN 0.294 nan 8.210 nan 0.000 0.702 493 K N 4.927 125.297 120.400 -0.049 0.000 2.298 493 K HA 0.143 4.463 4.320 0.001 0.000 0.280 493 K C -0.104 176.241 176.600 -0.425 0.000 1.032 493 K CA -0.521 55.608 56.287 -0.264 0.000 0.958 493 K CB 0.752 33.050 32.500 -0.336 0.000 0.978 493 K HN 0.371 nan 8.250 nan 0.000 0.472 494 Q N 3.249 122.743 119.800 -0.509 0.000 2.256 494 Q HA 0.257 4.597 4.340 0.001 0.000 0.254 494 Q C -1.115 174.473 176.000 -0.686 0.000 0.916 494 Q CA -0.001 55.557 55.803 -0.408 0.000 0.932 494 Q CB 0.861 29.456 28.738 -0.238 0.000 1.207 494 Q HN 0.429 nan 8.270 nan 0.000 0.426 495 F N 0.502 120.359 119.950 -0.154 0.000 2.493 495 F HA 0.519 5.046 4.527 0.001 0.000 0.329 495 F C 0.433 176.122 175.800 -0.185 0.000 1.126 495 F CA -1.037 56.839 58.000 -0.206 0.000 0.937 495 F CB 1.482 40.296 39.000 -0.309 0.000 1.146 495 F HN 0.479 nan 8.300 nan 0.000 0.442 496 A N 2.705 125.522 122.820 -0.005 0.000 2.425 496 A HA 0.267 4.587 4.320 0.001 0.000 0.249 496 A C -0.049 177.499 177.584 -0.059 0.000 1.084 496 A CA -0.575 51.440 52.037 -0.037 0.000 0.781 496 A CB -0.013 18.967 19.000 -0.034 0.000 1.019 496 A HN 0.895 nan 8.150 nan 0.000 0.490 497 N N 1.365 120.024 118.700 -0.069 0.000 2.402 497 N HA 0.118 4.859 4.740 0.001 0.000 0.259 497 N C 0.750 176.213 175.510 -0.078 0.000 1.167 497 N CA -0.272 52.723 53.050 -0.092 0.000 0.949 497 N CB 0.592 39.032 38.487 -0.079 0.000 1.212 497 N HN 0.571 nan 8.380 nan 0.000 0.493 498 R N 1.315 121.760 120.500 -0.090 0.000 2.276 498 R HA 0.083 4.423 4.340 0.001 0.000 0.196 498 R C 0.107 176.363 176.300 -0.073 0.000 0.961 498 R CA 0.671 56.733 56.100 -0.062 0.000 1.024 498 R CB 0.206 30.483 30.300 -0.039 0.000 0.940 498 R HN 0.608 nan 8.270 nan 0.000 0.480 499 Q N 0.209 119.947 119.800 -0.103 0.000 2.482 499 Q HA 0.339 4.679 4.340 0.001 0.000 0.286 499 Q C -2.833 173.104 176.000 -0.106 0.000 1.007 499 Q CA -2.066 53.672 55.803 -0.107 0.000 0.801 499 Q CB 2.797 31.449 28.738 -0.144 0.000 1.455 499 Q HN -0.089 nan 8.270 nan 0.000 0.398 500 P HA 0.134 nan 4.420 nan 0.000 0.280 500 P C -0.226 177.031 177.300 -0.072 0.000 1.244 500 P CA 0.157 63.215 63.100 -0.070 0.000 0.784 500 P CB 1.149 32.812 31.700 -0.063 0.000 0.913 501 A N 3.925 126.719 122.820 -0.042 0.000 1.873 501 A HA -0.044 4.276 4.320 0.001 0.000 0.215 501 A C 0.654 178.292 177.584 0.090 0.000 1.186 501 A CA 1.238 53.262 52.037 -0.022 0.000 0.616 501 A CB -0.657 18.328 19.000 -0.025 0.000 0.823 501 A HN 0.576 nan 8.150 nan 0.000 0.442 502 F N -0.711 119.200 119.950 -0.064 0.000 2.547 502 F HA 0.590 5.118 4.527 0.001 0.000 0.316 502 F C -1.118 174.668 175.800 -0.023 0.000 1.121 502 F CA -1.423 56.557 58.000 -0.032 0.000 0.911 502 F CB 2.095 41.083 39.000 -0.020 0.000 1.179 502 F HN -0.129 nan 8.300 nan 0.000 0.443 503 V N 5.881 125.410 119.914 -0.642 0.000 2.531 503 V HA 0.566 4.687 4.120 0.001 0.000 0.301 503 V C -0.299 175.359 176.094 -0.727 0.000 1.034 503 V CA -0.489 61.485 62.300 -0.543 0.000 0.865 503 V CB 1.318 32.980 31.823 -0.268 0.000 0.995 503 V HN 0.880 nan 8.190 nan 0.000 0.424 504 E N 0.000 119.875 120.200 -0.541 0.000 2.725 504 E HA 0.000 4.350 4.350 0.001 0.000 0.291 504 E CA 0.000 56.197 56.400 -0.337 0.000 0.976 504 E CB 0.000 29.559 29.700 -0.234 0.000 0.812 504 E HN 0.000 nan 8.360 nan 0.000 0.440