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 2osc_1_A DATA FIRST_RESID 837 DATA SEQUENCE QVLKARIXXX XXXMDAAIKR MKXXXXKDDH RDFAGELEVL CKLGHHPNII DATA SEQUENCE NLLGACEHXX XXYLAIEYAP HGNLLDFLRK SRVLETDPAF AIANSTASTL DATA SEQUENCE SSQQLLHFAA DVARGMDYLS QKQFIHRDLA ARNILVGENY VAKIADFGLX DATA SEQUENCE XXXXXXXXXX MGRLPVRWMA IESLNYSVYT TNSDVWSYGV LLWEIVSLGG DATA SEQUENCE TPYCGMTCAE LYEKLPQGYR LEKPLNCDDE VYDLMRQCWR EKPYERPSFA DATA SEQUENCE QILVSLNRML EERKTYVNTT LYEKFTYAGI 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 837 Q HA 0.000 nan 4.340 nan 0.000 0.214 837 Q C 0.000 176.016 176.000 0.026 0.000 1.003 837 Q CA 0.000 55.811 55.803 0.014 0.000 1.022 837 Q CB 0.000 28.749 28.738 0.018 0.000 1.108 838 V N 2.123 122.052 119.914 0.025 0.000 2.498 838 V HA 0.793 4.913 4.120 -0.000 0.000 0.279 838 V C 0.038 176.139 176.094 0.012 0.000 1.048 838 V CA -0.216 62.103 62.300 0.032 0.000 0.967 838 V CB 1.228 33.070 31.823 0.031 0.000 0.988 838 V HN 0.537 nan 8.190 nan 0.000 0.473 839 L N 4.399 125.626 121.223 0.007 0.000 2.422 839 L HA 0.566 4.906 4.340 -0.000 0.000 0.264 839 L C -0.159 176.677 176.870 -0.057 0.000 0.984 839 L CA -0.918 53.907 54.840 -0.025 0.000 0.819 839 L CB 2.307 44.352 42.059 -0.022 0.000 1.330 839 L HN 0.495 nan 8.230 nan 0.000 0.410 840 K N 1.366 121.691 120.400 -0.124 0.000 2.219 840 K HA 0.791 5.111 4.320 -0.000 0.000 0.258 840 K C -0.344 176.169 176.600 -0.145 0.000 1.008 840 K CA -0.263 55.887 56.287 -0.228 0.000 0.928 840 K CB 1.236 33.525 32.500 -0.352 0.000 0.983 840 K HN 0.710 nan 8.250 nan 0.000 0.484 841 A N 0.081 122.813 122.820 -0.146 0.000 2.490 841 A HA 0.605 4.925 4.320 -0.000 0.000 0.292 841 A C -0.647 176.896 177.584 -0.069 0.000 1.047 841 A CA -0.491 51.496 52.037 -0.084 0.000 0.632 841 A CB 0.814 19.786 19.000 -0.046 0.000 1.323 841 A HN 0.648 nan 8.150 nan 0.000 0.448 842 R N -0.371 120.102 120.500 -0.044 0.000 2.586 842 R HA 0.700 5.040 4.340 -0.000 0.000 0.336 842 R C 1.043 177.334 176.300 -0.016 0.000 1.060 842 R CA 1.062 57.144 56.100 -0.030 0.000 1.079 842 R CB -1.655 28.627 30.300 -0.030 0.000 1.317 842 R HN 2.431 nan 8.270 nan 0.000 0.568 851 D N 1.134 121.538 120.400 0.008 0.000 2.401 851 D HA 0.671 5.311 4.640 -0.000 0.000 0.254 851 D C -0.712 175.621 176.300 0.055 0.000 1.192 851 D CA 1.085 55.093 54.000 0.014 0.000 0.885 851 D CB 0.880 41.696 40.800 0.026 0.000 1.147 851 D HN 0.935 nan 8.370 nan 0.000 0.478 852 A N 2.514 125.357 122.820 0.038 0.000 2.534 852 A HA 0.876 5.196 4.320 -0.000 0.000 0.300 852 A C -1.598 176.030 177.584 0.073 0.000 1.223 852 A CA -0.267 51.829 52.037 0.098 0.000 0.666 852 A CB 0.985 20.023 19.000 0.063 0.000 1.316 852 A HN 0.768 nan 8.150 nan 0.000 0.468 853 A N 0.006 122.905 122.820 0.132 0.000 2.374 853 A HA 0.742 5.062 4.320 -0.000 0.000 0.305 853 A C -1.024 176.613 177.584 0.087 0.000 1.053 853 A CA -0.286 51.824 52.037 0.122 0.000 0.726 853 A CB 0.594 19.764 19.000 0.283 0.000 1.229 853 A HN 0.773 nan 8.150 nan 0.000 0.431 854 I N 1.163 121.768 120.570 0.057 0.000 2.530 854 I HA 0.434 4.603 4.170 -0.000 0.000 0.297 854 I C -0.032 176.133 176.117 0.080 0.000 1.011 854 I CA -0.721 60.618 61.300 0.066 0.000 1.107 854 I CB 2.344 40.373 38.000 0.048 0.000 1.285 854 I HN 0.697 nan 8.210 nan 0.000 0.436 855 K N 4.943 125.413 120.400 0.117 0.000 2.334 855 K HA 0.535 4.855 4.320 -0.000 0.000 0.265 855 K C -0.132 176.567 176.600 0.165 0.000 1.039 855 K CA -0.428 55.945 56.287 0.143 0.000 0.920 855 K CB 0.801 33.413 32.500 0.186 0.000 1.160 855 K HN 0.763 nan 8.250 nan 0.000 0.451 856 R N 4.513 125.060 120.500 0.078 0.000 2.296 856 R HA 0.255 4.595 4.340 -0.000 0.000 0.323 856 R C -0.326 175.941 176.300 -0.054 0.000 1.067 856 R CA 0.002 56.113 56.100 0.018 0.000 0.946 856 R CB 0.219 30.517 30.300 -0.003 0.000 0.991 856 R HN 0.537 nan 8.270 nan 0.000 0.448 857 M N 2.601 122.077 119.600 -0.207 0.000 2.326 857 M HA 0.449 4.929 4.480 -0.000 0.000 0.306 857 M C 0.312 176.396 176.300 -0.360 0.000 1.054 857 M CA -1.018 54.041 55.300 -0.403 0.000 0.922 857 M CB 1.660 33.634 32.600 -1.043 0.000 1.632 857 M HN 0.887 nan 8.290 nan 0.000 0.436 864 D N 0.710 121.143 120.400 0.055 0.000 2.117 864 D HA -0.079 4.561 4.640 -0.000 0.000 0.198 864 D C 1.015 177.370 176.300 0.090 0.000 0.982 864 D CA 1.861 55.898 54.000 0.062 0.000 0.828 864 D CB -0.123 40.702 40.800 0.042 0.000 0.967 864 D HN 0.609 nan 8.370 nan 0.000 0.464 865 D N -0.486 119.965 120.400 0.085 0.000 2.263 865 D HA -0.149 4.491 4.640 -0.000 0.000 0.208 865 D C 1.840 178.222 176.300 0.137 0.000 0.971 865 D CA 0.710 54.766 54.000 0.094 0.000 0.867 865 D CB -0.178 40.650 40.800 0.046 0.000 0.929 865 D HN 0.332 nan 8.370 nan 0.000 0.492 866 H N 0.843 119.944 119.070 0.051 0.000 2.436 866 H HA 0.020 4.576 4.556 -0.000 0.000 0.294 866 H C 1.943 177.337 175.328 0.110 0.000 1.048 866 H CA 1.307 57.398 56.048 0.072 0.000 1.353 866 H CB 0.371 30.150 29.762 0.029 0.000 1.414 866 H HN 0.171 nan 8.280 nan 0.000 0.536 867 R N 0.242 120.898 120.500 0.261 0.000 2.119 867 R HA -0.017 4.323 4.340 -0.000 0.000 0.222 867 R C 1.474 177.844 176.300 0.116 0.000 1.088 867 R CA 1.460 57.671 56.100 0.185 0.000 0.984 867 R CB -0.098 30.274 30.300 0.120 0.000 0.884 867 R HN 0.117 nan 8.270 nan 0.000 0.447 868 D N 0.179 120.648 120.400 0.116 0.000 2.123 868 D HA -0.122 4.518 4.640 -0.000 0.000 0.200 868 D C 1.523 177.877 176.300 0.090 0.000 0.976 868 D CA 1.037 55.089 54.000 0.086 0.000 0.831 868 D CB -0.197 40.660 40.800 0.094 0.000 0.974 868 D HN 0.182 nan 8.370 nan 0.000 0.469 869 F N 1.821 121.747 119.950 -0.039 0.000 2.146 869 F HA -0.031 4.495 4.527 -0.000 0.000 0.298 869 F C 2.345 178.093 175.800 -0.088 0.000 1.096 869 F CA 1.027 58.982 58.000 -0.075 0.000 1.275 869 F CB -0.109 38.814 39.000 -0.129 0.000 1.008 869 F HN -0.109 nan 8.300 nan 0.000 0.480 870 A N -0.496 122.353 122.820 0.048 0.000 2.066 870 A HA 0.093 4.413 4.320 -0.000 0.000 0.218 870 A C 2.352 179.926 177.584 -0.018 0.000 1.157 870 A CA 1.353 53.392 52.037 0.003 0.000 0.670 870 A CB -1.451 17.591 19.000 0.070 0.000 0.804 870 A HN 0.456 nan 8.150 nan 0.000 0.453 871 G N -0.487 108.306 108.800 -0.013 0.000 2.473 871 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.212 871 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.212 871 G C 1.363 176.223 174.900 -0.067 0.000 1.211 871 G CA 0.781 45.868 45.100 -0.023 0.000 0.813 871 G HN 0.558 nan 8.290 nan 0.000 0.541 872 E N -0.272 119.867 120.200 -0.102 0.000 2.114 872 E HA -0.220 4.130 4.350 -0.000 0.000 0.199 872 E C 2.359 178.853 176.600 -0.176 0.000 1.008 872 E CA 1.351 57.668 56.400 -0.139 0.000 0.810 872 E CB -0.206 29.386 29.700 -0.180 0.000 0.739 872 E HN 0.290 nan 8.360 nan 0.000 0.456 873 L N 1.284 122.362 121.223 -0.242 0.000 2.027 873 L HA -0.155 4.185 4.340 -0.000 0.000 0.206 873 L C 2.315 179.114 176.870 -0.118 0.000 1.074 873 L CA 2.385 57.100 54.840 -0.208 0.000 0.745 873 L CB -0.630 41.286 42.059 -0.238 0.000 0.898 873 L HN 0.140 nan 8.230 nan 0.000 0.433 874 E N -0.711 119.437 120.200 -0.087 0.000 2.130 874 E HA -0.196 4.154 4.350 -0.000 0.000 0.196 874 E C 1.951 178.522 176.600 -0.049 0.000 0.998 874 E CA 2.012 58.383 56.400 -0.049 0.000 0.806 874 E CB -0.409 29.275 29.700 -0.026 0.000 0.738 874 E HN 0.370 nan 8.360 nan 0.000 0.459 875 V N 0.569 120.451 119.914 -0.053 0.000 2.270 875 V HA -0.236 3.884 4.120 -0.000 0.000 0.245 875 V C 2.478 178.513 176.094 -0.099 0.000 1.043 875 V CA 1.872 64.148 62.300 -0.040 0.000 1.014 875 V CB -0.550 31.268 31.823 -0.007 0.000 0.645 875 V HN 0.324 nan 8.190 nan 0.000 0.447 876 L N -0.659 120.491 121.223 -0.121 0.000 2.191 876 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 876 L C 2.588 179.368 176.870 -0.150 0.000 1.103 876 L CA 1.223 55.972 54.840 -0.153 0.000 0.769 876 L CB -0.882 41.096 42.059 -0.136 0.000 0.908 876 L HN 0.409 nan 8.230 nan 0.000 0.438 877 C N 0.099 119.336 119.300 -0.104 0.000 2.446 877 C HA -0.123 4.337 4.460 -0.000 0.000 0.277 877 C C 2.686 177.628 174.990 -0.080 0.000 1.275 877 C CA 0.593 59.567 59.018 -0.074 0.000 1.727 877 C CB -0.697 27.018 27.740 -0.042 0.000 2.010 877 C HN 0.453 nan 8.230 nan 0.000 0.486 878 K N 0.878 121.230 120.400 -0.080 0.000 2.288 878 K HA 0.025 4.345 4.320 -0.000 0.000 0.201 878 K C 1.655 178.182 176.600 -0.120 0.000 1.048 878 K CA 0.831 57.074 56.287 -0.073 0.000 0.956 878 K CB -0.196 32.277 32.500 -0.045 0.000 0.746 878 K HN 0.528 nan 8.250 nan 0.000 0.461 879 L N 0.246 121.356 121.223 -0.188 0.000 2.217 879 L HA -0.060 4.279 4.340 -0.000 0.000 0.211 879 L C 1.410 178.217 176.870 -0.105 0.000 1.107 879 L CA 0.715 55.411 54.840 -0.241 0.000 0.783 879 L CB -0.976 40.883 42.059 -0.333 0.000 0.919 879 L HN 0.428 nan 8.230 nan 0.000 0.442 880 G N -0.370 108.340 108.800 -0.151 0.000 2.498 880 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.245 880 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.245 880 G C -0.378 174.268 174.900 -0.423 0.000 1.204 880 G CA -0.381 44.666 45.100 -0.089 0.000 0.933 880 G HN 0.342 nan 8.290 nan 0.000 0.574 881 H N 0.165 119.288 119.070 0.088 0.000 2.856 881 H HA 0.632 5.188 4.556 -0.000 0.000 0.355 881 H C -0.900 174.319 175.328 -0.182 0.000 1.079 881 H CA -0.200 55.830 56.048 -0.030 0.000 1.240 881 H CB 2.060 31.800 29.762 -0.036 0.000 1.701 881 H HN 0.869 nan 8.280 nan 0.000 0.527 882 H N 3.767 122.677 119.070 -0.267 0.000 3.085 882 H HA 0.124 4.680 4.556 -0.000 0.000 0.356 882 H C -2.521 172.679 175.328 -0.212 0.000 1.178 882 H CA -1.571 54.216 56.048 -0.435 0.000 1.214 882 H CB 3.084 32.273 29.762 -0.954 0.000 1.881 882 H HN 0.308 nan 8.280 nan 0.000 0.538 883 P HA -0.010 nan 4.420 nan 0.000 0.234 883 P C -0.204 177.167 177.300 0.118 0.000 1.167 883 P CA 0.803 63.862 63.100 -0.068 0.000 0.763 883 P CB 0.280 31.876 31.700 -0.174 0.000 0.835 884 N N -0.088 118.851 118.700 0.397 0.000 2.235 884 N HA 0.220 4.960 4.740 -0.000 0.000 0.231 884 N C 0.337 175.863 175.510 0.025 0.000 1.177 884 N CA -0.355 52.795 53.050 0.166 0.000 0.874 884 N CB 0.368 38.937 38.487 0.137 0.000 1.097 884 N HN 0.285 nan 8.380 nan 0.000 0.518 885 I N -2.477 118.106 120.570 0.021 0.000 2.969 885 I HA 0.562 4.732 4.170 -0.000 0.000 0.307 885 I C -0.352 175.749 176.117 -0.026 0.000 1.149 885 I CA -1.577 59.701 61.300 -0.038 0.000 1.008 885 I CB 1.233 39.192 38.000 -0.069 0.000 1.232 885 I HN -0.246 nan 8.210 nan 0.000 0.435 886 I N 1.521 122.064 120.570 -0.045 0.000 3.045 886 I HA 0.221 4.391 4.170 -0.000 0.000 0.288 886 I C 0.044 176.152 176.117 -0.016 0.000 1.238 886 I CA 0.317 61.601 61.300 -0.026 0.000 1.396 886 I CB -0.287 37.695 38.000 -0.031 0.000 1.355 886 I HN 0.659 nan 8.210 nan 0.000 0.601 887 N N 4.832 123.548 118.700 0.027 0.000 2.479 887 N HA 0.369 5.109 4.740 -0.000 0.000 0.261 887 N C -1.197 174.365 175.510 0.086 0.000 0.979 887 N CA -0.695 52.411 53.050 0.094 0.000 0.930 887 N CB 1.080 39.636 38.487 0.115 0.000 1.172 887 N HN 0.821 nan 8.380 nan 0.000 0.499 888 L N 2.114 123.390 121.223 0.088 0.000 2.276 888 L HA 0.457 4.797 4.340 -0.000 0.000 0.286 888 L C 0.474 177.406 176.870 0.105 0.000 1.061 888 L CA -0.589 54.289 54.840 0.062 0.000 0.807 888 L CB 0.957 43.017 42.059 0.001 0.000 1.177 888 L HN 0.381 nan 8.230 nan 0.000 0.429 889 L N 4.030 125.291 121.223 0.063 0.000 2.341 889 L HA 0.437 4.776 4.340 -0.000 0.000 0.214 889 L C 1.119 178.011 176.870 0.036 0.000 1.115 889 L CA 0.722 55.590 54.840 0.046 0.000 0.820 889 L CB -0.365 41.714 42.059 0.033 0.000 0.944 889 L HN 1.059 nan 8.230 nan 0.000 0.452 890 G N -0.877 107.941 108.800 0.030 0.000 2.359 890 G HA2 0.391 4.351 3.960 -0.000 0.000 0.314 890 G HA3 0.391 4.351 3.960 -0.000 0.000 0.314 890 G C -1.851 173.058 174.900 0.015 0.000 1.364 890 G CA -0.342 44.770 45.100 0.020 0.000 0.978 890 G HN 0.133 nan 8.290 nan 0.000 0.615 891 A N -1.402 121.428 122.820 0.016 0.000 2.322 891 A HA 0.942 5.262 4.320 -0.000 0.000 0.327 891 A C -0.259 177.356 177.584 0.052 0.000 1.134 891 A CA -0.029 52.031 52.037 0.038 0.000 0.831 891 A CB 1.777 20.790 19.000 0.020 0.000 1.288 891 A HN 2.207 nan 8.150 nan 0.000 0.472 892 C N -0.235 119.111 119.300 0.077 0.000 3.239 892 C HA 0.702 5.162 4.460 -0.000 0.000 0.317 892 C C -1.466 173.560 174.990 0.060 0.000 1.310 892 C CA -0.437 58.615 59.018 0.057 0.000 1.371 892 C CB 1.856 29.622 27.740 0.043 0.000 1.714 892 C HN 0.893 nan 8.230 nan 0.000 0.473 893 E N 1.829 122.053 120.200 0.040 0.000 2.255 893 E HA 0.552 4.902 4.350 -0.000 0.000 0.245 893 E C -0.268 176.342 176.600 0.017 0.000 0.909 893 E CA 0.317 56.735 56.400 0.030 0.000 0.747 893 E CB 0.899 30.618 29.700 0.031 0.000 1.215 893 E HN 0.960 nan 8.360 nan 0.000 0.424 900 L N 4.034 125.448 121.223 0.319 0.000 2.313 900 L HA 0.932 5.272 4.340 -0.000 0.000 0.283 900 L C 0.200 177.108 176.870 0.065 0.000 1.013 900 L CA -0.829 54.055 54.840 0.073 0.000 0.816 900 L CB 1.534 43.492 42.059 -0.168 0.000 1.236 900 L HN 1.238 nan 8.230 nan 0.000 0.419 901 A N 6.515 129.361 122.820 0.043 0.000 2.342 901 A HA 0.807 5.126 4.320 -0.000 0.000 0.323 901 A C -0.830 176.780 177.584 0.044 0.000 1.125 901 A CA -0.608 51.459 52.037 0.050 0.000 0.785 901 A CB 1.338 20.366 19.000 0.047 0.000 1.221 901 A HN 0.748 nan 8.150 nan 0.000 0.463 902 I N -1.382 119.225 120.570 0.062 0.000 2.934 902 I HA 0.628 4.798 4.170 -0.000 0.000 0.306 902 I C -0.142 176.025 176.117 0.083 0.000 1.110 902 I CA -0.853 60.485 61.300 0.063 0.000 1.019 902 I CB 1.818 39.852 38.000 0.057 0.000 1.227 902 I HN 0.737 nan 8.210 nan 0.000 0.434 903 E N 2.057 122.300 120.200 0.072 0.000 2.481 903 E HA -0.062 4.288 4.350 -0.000 0.000 0.263 903 E C -1.458 175.208 176.600 0.111 0.000 0.992 903 E CA 0.061 56.508 56.400 0.079 0.000 0.938 903 E CB 0.504 30.233 29.700 0.047 0.000 0.933 903 E HN 0.518 nan 8.360 nan 0.000 0.453 904 Y N 2.504 122.800 120.300 -0.008 0.000 2.304 904 Y HA 0.377 4.927 4.550 -0.000 0.000 0.327 904 Y C -0.437 175.444 175.900 -0.031 0.000 1.209 904 Y CA -0.540 57.550 58.100 -0.016 0.000 1.299 904 Y CB 1.128 39.570 38.460 -0.031 0.000 1.249 904 Y HN 0.466 nan 8.280 nan 0.000 0.519 905 A N 8.437 130.739 122.820 -0.862 0.000 2.316 905 A HA 0.391 4.711 4.320 -0.000 0.000 0.324 905 A C -2.010 174.990 177.584 -0.973 0.000 1.375 905 A CA -1.551 50.098 52.037 -0.647 0.000 0.882 905 A CB 0.204 18.991 19.000 -0.355 0.000 1.152 905 A HN 0.688 nan 8.150 nan 0.000 0.512 906 P HA -0.144 nan 4.420 nan 0.000 0.231 906 P C 0.258 177.219 177.300 -0.565 0.000 1.158 906 P CA 1.252 64.056 63.100 -0.494 0.000 0.763 906 P CB 0.103 31.555 31.700 -0.414 0.000 0.805 907 H N -1.230 117.686 119.070 -0.256 0.000 2.672 907 H HA 0.309 4.865 4.556 -0.000 0.000 0.277 907 H C 1.477 176.739 175.328 -0.110 0.000 1.074 907 H CA 0.649 56.596 56.048 -0.169 0.000 1.173 907 H CB 0.500 30.032 29.762 -0.383 0.000 1.558 907 H HN 0.164 nan 8.280 nan 0.000 0.539 908 G N 2.195 110.945 108.800 -0.084 0.000 2.698 908 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.233 908 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.233 908 G C 0.001 174.886 174.900 -0.024 0.000 1.352 908 G CA -0.216 44.857 45.100 -0.044 0.000 0.879 908 G HN 0.577 nan 8.290 nan 0.000 0.567 909 N N -0.636 118.077 118.700 0.021 0.000 2.467 909 N HA 0.439 5.179 4.740 -0.000 0.000 0.262 909 N C 1.275 176.811 175.510 0.044 0.000 1.234 909 N CA -0.028 53.062 53.050 0.068 0.000 0.952 909 N CB 1.007 39.572 38.487 0.129 0.000 1.158 909 N HN 0.984 nan 8.380 nan 0.000 0.463 910 L N 0.821 122.039 121.223 -0.008 0.000 2.131 910 L HA 0.022 4.362 4.340 -0.000 0.000 0.210 910 L C 1.638 178.538 176.870 0.049 0.000 1.092 910 L CA 1.255 56.060 54.840 -0.060 0.000 0.759 910 L CB -0.947 41.013 42.059 -0.165 0.000 0.903 910 L HN 0.785 nan 8.230 nan 0.000 0.435 911 L N -0.271 120.994 121.223 0.069 0.000 1.970 911 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 911 L C 2.151 179.073 176.870 0.086 0.000 1.071 911 L CA 2.091 56.985 54.840 0.090 0.000 0.751 911 L CB -1.094 41.025 42.059 0.100 0.000 0.889 911 L HN 0.327 nan 8.230 nan 0.000 0.432 912 D N -1.008 119.445 120.400 0.089 0.000 2.123 912 D HA -0.253 4.387 4.640 -0.000 0.000 0.196 912 D C 2.101 178.459 176.300 0.097 0.000 0.992 912 D CA 1.489 55.537 54.000 0.079 0.000 0.833 912 D CB -0.355 40.491 40.800 0.077 0.000 0.954 912 D HN 0.361 nan 8.370 nan 0.000 0.455 913 F N 1.417 121.359 119.950 -0.014 0.000 2.095 913 F HA -0.157 4.370 4.527 -0.000 0.000 0.298 913 F C 2.303 178.099 175.800 -0.007 0.000 1.104 913 F CA 1.090 59.086 58.000 -0.007 0.000 1.232 913 F CB -0.414 38.557 39.000 -0.049 0.000 0.987 913 F HN -0.119 nan 8.300 nan 0.000 0.475 914 L N -0.345 120.921 121.223 0.072 0.000 2.079 914 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 914 L C 2.562 179.381 176.870 -0.085 0.000 1.081 914 L CA 1.512 56.352 54.840 -0.000 0.000 0.752 914 L CB -0.609 41.477 42.059 0.044 0.000 0.896 914 L HN 0.059 nan 8.230 nan 0.000 0.433 915 R N 0.162 120.620 120.500 -0.071 0.000 2.090 915 R HA -0.099 4.241 4.340 -0.000 0.000 0.228 915 R C 2.673 178.886 176.300 -0.144 0.000 1.110 915 R CA 1.359 57.393 56.100 -0.110 0.000 0.973 915 R CB -0.405 29.861 30.300 -0.056 0.000 0.869 915 R HN 0.304 nan 8.270 nan 0.000 0.440 916 K N 0.767 121.080 120.400 -0.146 0.000 2.283 916 K HA -0.063 4.257 4.320 -0.000 0.000 0.202 916 K C 1.814 178.290 176.600 -0.207 0.000 1.048 916 K CA 1.643 57.835 56.287 -0.158 0.000 0.948 916 K CB -0.753 31.651 32.500 -0.159 0.000 0.742 916 K HN 0.216 nan 8.250 nan 0.000 0.458 917 S N 0.394 115.940 115.700 -0.257 0.000 2.474 917 S HA -0.082 4.388 4.470 -0.000 0.000 0.235 917 S C 1.055 175.576 174.600 -0.132 0.000 0.997 917 S CA 0.100 58.168 58.200 -0.221 0.000 0.949 917 S CB -0.385 62.695 63.200 -0.200 0.000 0.766 917 S HN 0.607 nan 8.310 nan 0.000 0.517 918 R N 1.486 121.881 120.500 -0.175 0.000 3.641 918 R HA 0.125 4.465 4.340 -0.000 0.000 0.189 918 R C 1.176 177.466 176.300 -0.017 0.000 1.706 918 R CA -0.105 55.866 56.100 -0.215 0.000 1.311 918 R CB -0.237 29.721 30.300 -0.570 0.000 1.330 918 R HN 0.215 nan 8.270 nan 0.000 0.727 919 V N 2.292 122.241 119.914 0.058 0.000 2.453 919 V HA -0.257 3.863 4.120 -0.000 0.000 0.252 919 V C 1.878 178.060 176.094 0.147 0.000 1.068 919 V CA 1.782 64.131 62.300 0.081 0.000 1.070 919 V CB -0.231 31.654 31.823 0.104 0.000 0.664 919 V HN 0.572 nan 8.190 nan 0.000 0.461 920 L N -0.321 121.053 121.223 0.250 0.000 2.275 920 L HA -0.105 4.235 4.340 -0.000 0.000 0.215 920 L C 2.082 179.079 176.870 0.212 0.000 1.119 920 L CA 1.909 56.876 54.840 0.212 0.000 0.790 920 L CB -0.569 41.601 42.059 0.185 0.000 0.919 920 L HN 0.424 nan 8.230 nan 0.000 0.443 921 E N -1.379 118.955 120.200 0.223 0.000 2.132 921 E HA -0.080 4.270 4.350 -0.000 0.000 0.193 921 E C 1.988 178.627 176.600 0.064 0.000 0.951 921 E CA 1.088 57.568 56.400 0.134 0.000 0.843 921 E CB -0.030 29.721 29.700 0.086 0.000 0.807 921 E HN 0.629 nan 8.360 nan 0.000 0.467 922 T N -0.860 113.714 114.554 0.034 0.000 2.867 922 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 922 T C 0.677 175.384 174.700 0.013 0.000 1.057 922 T CA 1.436 63.538 62.100 0.003 0.000 1.136 922 T CB 0.089 68.934 68.868 -0.039 0.000 0.874 922 T HN -0.031 nan 8.240 nan 0.000 0.466 923 D N 1.005 121.429 120.400 0.040 0.000 2.668 923 D HA 0.237 4.877 4.640 -0.000 0.000 0.234 923 D C -2.257 174.111 176.300 0.113 0.000 1.349 923 D CA -1.551 52.485 54.000 0.060 0.000 0.889 923 D CB 1.171 41.988 40.800 0.029 0.000 1.520 923 D HN -0.056 nan 8.370 nan 0.000 0.521 924 P HA -0.166 nan 4.420 nan 0.000 0.216 924 P C 1.353 178.697 177.300 0.073 0.000 1.150 924 P CA 1.228 64.376 63.100 0.080 0.000 0.837 924 P CB 0.280 32.014 31.700 0.057 0.000 0.786 925 A N -0.036 122.831 122.820 0.079 0.000 1.865 925 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 925 A C 2.202 179.830 177.584 0.074 0.000 1.191 925 A CA 1.755 53.830 52.037 0.062 0.000 0.623 925 A CB -1.889 17.151 19.000 0.067 0.000 0.826 925 A HN 0.181 nan 8.150 nan 0.000 0.444 926 F N 0.840 120.784 119.950 -0.010 0.000 2.134 926 F HA -0.026 4.501 4.527 -0.000 0.000 0.299 926 F C 2.501 178.286 175.800 -0.025 0.000 1.097 926 F CA 1.141 59.132 58.000 -0.015 0.000 1.264 926 F CB -0.499 38.494 39.000 -0.012 0.000 1.001 926 F HN 0.271 nan 8.300 nan 0.000 0.479 927 A N 1.171 124.117 122.820 0.211 0.000 1.841 927 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 927 A C 2.320 179.854 177.584 -0.084 0.000 1.199 927 A CA 2.205 54.293 52.037 0.084 0.000 0.621 927 A CB -1.361 17.694 19.000 0.093 0.000 0.835 927 A HN 0.473 nan 8.150 nan 0.000 0.445 928 I N -0.227 120.308 120.570 -0.058 0.000 2.118 928 I HA -0.360 3.810 4.170 -0.000 0.000 0.241 928 I C 3.039 179.085 176.117 -0.118 0.000 1.070 928 I CA 1.319 62.571 61.300 -0.080 0.000 1.327 928 I CB -0.528 37.445 38.000 -0.044 0.000 1.034 928 I HN 0.409 nan 8.210 nan 0.000 0.405 929 A N 0.853 123.588 122.820 -0.140 0.000 1.892 929 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 929 A C 1.961 179.404 177.584 -0.236 0.000 1.188 929 A CA 2.205 54.136 52.037 -0.176 0.000 0.631 929 A CB -0.738 18.144 19.000 -0.196 0.000 0.822 929 A HN 0.519 nan 8.150 nan 0.000 0.447 930 N N -0.380 118.103 118.700 -0.362 0.000 2.398 930 N HA 0.037 4.777 4.740 -0.000 0.000 0.188 930 N C -0.233 175.151 175.510 -0.210 0.000 1.122 930 N CA 0.778 53.616 53.050 -0.352 0.000 0.866 930 N CB 0.186 38.301 38.487 -0.620 0.000 0.970 930 N HN 0.295 nan 8.380 nan 0.000 0.462 931 S N 0.371 115.968 115.700 -0.172 0.000 3.628 931 S HA -0.149 4.320 4.470 -0.000 0.000 0.373 931 S C -0.046 174.470 174.600 -0.140 0.000 0.968 931 S CA 0.804 58.922 58.200 -0.135 0.000 1.215 931 S CB -1.234 61.906 63.200 -0.100 0.000 0.912 931 S HN 0.482 nan 8.310 nan 0.000 0.495 932 T N -1.087 113.381 114.554 -0.143 0.000 2.903 932 T HA 0.726 5.076 4.350 -0.000 0.000 0.299 932 T C 0.639 175.244 174.700 -0.159 0.000 1.093 932 T CA 0.128 62.155 62.100 -0.122 0.000 1.002 932 T CB 1.701 70.554 68.868 -0.025 0.000 1.127 932 T HN 0.401 nan 8.240 nan 0.000 0.488 933 A N 2.163 124.851 122.820 -0.220 0.000 2.252 933 A HA 0.575 4.895 4.320 -0.000 0.000 0.213 933 A C 0.794 178.421 177.584 0.072 0.000 1.188 933 A CA 0.639 52.533 52.037 -0.239 0.000 0.863 933 A CB -0.078 18.522 19.000 -0.666 0.000 0.893 933 A HN 1.167 nan 8.150 nan 0.000 0.495 934 S N -1.943 113.785 115.700 0.046 0.000 2.550 934 S HA 0.348 4.818 4.470 -0.000 0.000 0.270 934 S C 0.383 175.002 174.600 0.031 0.000 1.145 934 S CA 0.437 58.668 58.200 0.052 0.000 0.852 934 S CB 0.827 64.060 63.200 0.055 0.000 1.119 934 S HN 0.539 nan 8.310 nan 0.000 0.465 935 T N 0.760 115.302 114.554 -0.019 0.000 3.160 935 T HA 0.271 4.621 4.350 -0.000 0.000 0.257 935 T C 0.480 175.158 174.700 -0.037 0.000 1.147 935 T CA 0.273 62.349 62.100 -0.040 0.000 1.064 935 T CB -0.785 68.002 68.868 -0.135 0.000 0.949 935 T HN 0.529 nan 8.240 nan 0.000 0.526 936 L N 2.104 123.319 121.223 -0.012 0.000 2.334 936 L HA 0.568 4.908 4.340 -0.000 0.000 0.276 936 L C 0.391 177.276 176.870 0.026 0.000 1.014 936 L CA -0.989 53.861 54.840 0.018 0.000 0.815 936 L CB 2.022 44.134 42.059 0.090 0.000 1.268 936 L HN 0.218 nan 8.230 nan 0.000 0.428 937 S N 0.094 115.801 115.700 0.012 0.000 2.690 937 S HA 0.230 4.700 4.470 -0.000 0.000 0.291 937 S C 0.984 175.604 174.600 0.033 0.000 1.138 937 S CA -0.171 58.041 58.200 0.019 0.000 1.013 937 S CB 1.751 64.955 63.200 0.007 0.000 1.053 937 S HN 0.619 nan 8.310 nan 0.000 0.539 938 S N 0.372 116.098 115.700 0.043 0.000 2.359 938 S HA -0.260 4.210 4.470 -0.000 0.000 0.223 938 S C 1.958 176.585 174.600 0.046 0.000 1.039 938 S CA 2.164 60.400 58.200 0.061 0.000 1.042 938 S CB -0.849 62.397 63.200 0.076 0.000 0.915 938 S HN 0.795 nan 8.310 nan 0.000 0.439 939 Q N 0.579 120.403 119.800 0.039 0.000 2.135 939 Q HA -0.095 4.245 4.340 -0.000 0.000 0.204 939 Q C 2.276 178.308 176.000 0.054 0.000 0.981 939 Q CA 1.935 57.755 55.803 0.028 0.000 0.856 939 Q CB -0.255 28.522 28.738 0.065 0.000 0.902 939 Q HN 0.702 nan 8.270 nan 0.000 0.425 940 Q N -0.695 119.113 119.800 0.014 0.000 2.119 940 Q HA -0.096 4.244 4.340 -0.000 0.000 0.201 940 Q C 2.075 177.963 176.000 -0.186 0.000 0.972 940 Q CA 1.173 56.901 55.803 -0.124 0.000 0.847 940 Q CB -0.034 28.588 28.738 -0.194 0.000 0.903 940 Q HN 0.385 nan 8.270 nan 0.000 0.433 941 L N -0.105 121.121 121.223 0.006 0.000 2.017 941 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 941 L C 2.100 179.040 176.870 0.117 0.000 1.073 941 L CA 0.578 55.506 54.840 0.147 0.000 0.745 941 L CB -0.376 41.764 42.059 0.135 0.000 0.894 941 L HN 0.238 nan 8.230 nan 0.000 0.432 942 L N -0.817 120.421 121.223 0.025 0.000 2.131 942 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 942 L C 2.662 179.506 176.870 -0.043 0.000 1.092 942 L CA 1.693 56.518 54.840 -0.026 0.000 0.759 942 L CB -1.235 40.757 42.059 -0.112 0.000 0.903 942 L HN 0.281 nan 8.230 nan 0.000 0.435 943 H N -1.437 117.606 119.070 -0.045 0.000 2.321 943 H HA -0.117 4.439 4.556 -0.000 0.000 0.300 943 H C 2.359 177.704 175.328 0.029 0.000 1.087 943 H CA 1.720 57.729 56.048 -0.066 0.000 1.319 943 H CB -0.370 29.276 29.762 -0.193 0.000 1.379 943 H HN 0.307 nan 8.280 nan 0.000 0.501 944 F N 0.553 120.614 119.950 0.185 0.000 2.161 944 F HA -0.223 4.304 4.527 -0.000 0.000 0.300 944 F C 2.832 178.709 175.800 0.128 0.000 1.089 944 F CA 0.525 58.605 58.000 0.133 0.000 1.282 944 F CB -0.066 39.005 39.000 0.118 0.000 1.010 944 F HN 0.164 nan 8.300 nan 0.000 0.485 945 A N -0.052 122.954 122.820 0.310 0.000 1.930 945 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 945 A C 2.299 180.050 177.584 0.278 0.000 1.175 945 A CA 1.474 53.668 52.037 0.262 0.000 0.627 945 A CB -1.036 18.074 19.000 0.183 0.000 0.815 945 A HN 0.318 nan 8.150 nan 0.000 0.443 946 A N -0.068 122.861 122.820 0.182 0.000 1.930 946 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 946 A C 1.774 179.450 177.584 0.154 0.000 1.175 946 A CA 1.706 53.823 52.037 0.134 0.000 0.627 946 A CB -0.508 18.530 19.000 0.062 0.000 0.815 946 A HN 0.428 nan 8.150 nan 0.000 0.443 947 D N -0.097 120.418 120.400 0.191 0.000 2.092 947 D HA -0.133 4.507 4.640 -0.000 0.000 0.193 947 D C 2.070 178.449 176.300 0.131 0.000 0.994 947 D CA 1.641 55.747 54.000 0.176 0.000 0.828 947 D CB -0.444 40.489 40.800 0.221 0.000 0.963 947 D HN 0.194 nan 8.370 nan 0.000 0.450 948 V N 1.209 121.227 119.914 0.173 0.000 2.358 948 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 948 V C 2.472 178.596 176.094 0.049 0.000 1.047 948 V CA 1.713 64.096 62.300 0.139 0.000 1.035 948 V CB -0.699 31.276 31.823 0.254 0.000 0.658 948 V HN 0.188 nan 8.190 nan 0.000 0.452 949 A N -0.179 122.702 122.820 0.103 0.000 1.933 949 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 949 A C 2.400 179.931 177.584 -0.088 0.000 1.175 949 A CA 1.970 53.960 52.037 -0.078 0.000 0.628 949 A CB -0.519 18.460 19.000 -0.034 0.000 0.814 949 A HN 0.487 nan 8.150 nan 0.000 0.444 950 R N -0.676 119.814 120.500 -0.016 0.000 2.066 950 R HA -0.089 4.251 4.340 -0.000 0.000 0.232 950 R C 2.321 178.521 176.300 -0.166 0.000 1.131 950 R CA 1.527 57.619 56.100 -0.013 0.000 0.955 950 R CB -0.682 29.672 30.300 0.091 0.000 0.851 950 R HN 0.451 nan 8.270 nan 0.000 0.432 951 G N 0.755 109.419 108.800 -0.226 0.000 2.421 951 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.216 951 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.216 951 G C 1.372 176.098 174.900 -0.291 0.000 1.171 951 G CA 0.583 45.451 45.100 -0.386 0.000 0.775 951 G HN 0.168 nan 8.290 nan 0.000 0.543 952 M N 0.861 120.238 119.600 -0.372 0.000 2.213 952 M HA -0.041 4.439 4.480 -0.000 0.000 0.263 952 M C 2.021 178.022 176.300 -0.497 0.000 1.062 952 M CA 1.435 56.359 55.300 -0.627 0.000 1.105 952 M CB -0.905 30.820 32.600 -1.458 0.000 1.385 952 M HN 0.376 nan 8.290 nan 0.000 0.417 953 D N -0.741 119.482 120.400 -0.294 0.000 2.117 953 D HA -0.238 4.402 4.640 -0.000 0.000 0.198 953 D C 1.983 178.274 176.300 -0.015 0.000 0.982 953 D CA 1.069 55.039 54.000 -0.051 0.000 0.828 953 D CB -0.207 40.611 40.800 0.031 0.000 0.967 953 D HN 0.378 nan 8.370 nan 0.000 0.464 954 Y N 0.557 120.745 120.300 -0.186 0.000 2.274 954 Y HA -0.058 4.492 4.550 -0.000 0.000 0.290 954 Y C 1.703 177.535 175.900 -0.112 0.000 1.145 954 Y CA 1.334 59.342 58.100 -0.152 0.000 1.203 954 Y CB -0.104 38.165 38.460 -0.318 0.000 0.984 954 Y HN 0.060 nan 8.280 nan 0.000 0.533 955 L N -0.627 120.504 121.223 -0.153 0.000 2.049 955 L HA -0.147 4.193 4.340 -0.000 0.000 0.203 955 L C 2.783 179.650 176.870 -0.005 0.000 1.074 955 L CA 1.291 56.050 54.840 -0.135 0.000 0.749 955 L CB -0.935 41.144 42.059 0.034 0.000 0.907 955 L HN 0.315 nan 8.230 nan 0.000 0.439 956 S N -0.733 114.988 115.700 0.037 0.000 2.387 956 S HA -0.253 4.217 4.470 -0.000 0.000 0.230 956 S C 1.881 176.512 174.600 0.052 0.000 1.035 956 S CA 0.960 59.225 58.200 0.108 0.000 1.014 956 S CB -0.476 62.853 63.200 0.214 0.000 0.836 956 S HN 0.374 nan 8.310 nan 0.000 0.466 957 Q N 1.233 121.030 119.800 -0.005 0.000 2.297 957 Q HA 0.048 4.388 4.340 -0.000 0.000 0.208 957 Q C 1.147 177.112 176.000 -0.059 0.000 0.981 957 Q CA 0.986 56.773 55.803 -0.027 0.000 0.876 957 Q CB -0.275 28.435 28.738 -0.046 0.000 0.921 957 Q HN 0.646 nan 8.270 nan 0.000 0.446 958 K N 0.587 120.931 120.400 -0.093 0.000 2.493 958 K HA 0.077 4.397 4.320 -0.000 0.000 0.207 958 K C -0.147 176.461 176.600 0.013 0.000 1.033 958 K CA -0.296 55.940 56.287 -0.084 0.000 1.161 958 K CB 0.762 33.148 32.500 -0.190 0.000 0.873 958 K HN -0.046 nan 8.250 nan 0.000 0.491 959 Q N -0.660 119.163 119.800 0.038 0.000 2.480 959 Q HA -0.202 4.137 4.340 -0.000 0.000 0.265 959 Q C -0.639 175.417 176.000 0.094 0.000 1.072 959 Q CA 0.643 56.480 55.803 0.056 0.000 1.018 959 Q CB -2.408 26.351 28.738 0.034 0.000 1.433 959 Q HN 0.407 nan 8.270 nan 0.000 0.513 960 F N 0.586 120.517 119.950 -0.031 0.000 2.411 960 F HA 0.497 5.024 4.527 -0.000 0.000 0.355 960 F C 0.079 175.894 175.800 0.025 0.000 1.117 960 F CA -0.964 57.021 58.000 -0.025 0.000 1.139 960 F CB 0.560 39.525 39.000 -0.059 0.000 1.120 960 F HN 0.027 nan 8.300 nan 0.000 0.493 961 I N 7.034 127.241 120.570 -0.605 0.000 2.336 961 I HA 0.101 4.271 4.170 -0.000 0.000 0.292 961 I C 1.064 176.739 176.117 -0.736 0.000 0.991 961 I CA -0.591 60.475 61.300 -0.389 0.000 1.227 961 I CB 1.407 39.310 38.000 -0.161 0.000 1.366 961 I HN 0.727 nan 8.210 nan 0.000 0.466 962 H N 7.172 126.016 119.070 -0.376 0.000 2.343 962 H HA 0.023 4.579 4.556 -0.000 0.000 0.303 962 H C 1.057 176.310 175.328 -0.124 0.000 1.068 962 H CA 1.690 57.607 56.048 -0.219 0.000 1.359 962 H CB 0.502 30.312 29.762 0.080 0.000 1.402 962 H HN 0.636 nan 8.280 nan 0.000 0.515 963 R N -0.913 119.679 120.500 0.154 0.000 3.746 963 R HA -0.188 4.152 4.340 -0.000 0.000 0.465 963 R C -0.330 176.129 176.300 0.264 0.000 0.725 963 R CA 1.437 57.641 56.100 0.173 0.000 1.545 963 R CB -1.433 28.736 30.300 -0.218 0.000 2.197 963 R HN 0.342 nan 8.270 nan 0.000 0.438 964 D N 0.377 121.029 120.400 0.419 0.000 2.992 964 D HA 0.255 4.895 4.640 -0.000 0.000 0.372 964 D C -0.606 175.851 176.300 0.262 0.000 1.374 964 D CA -0.193 53.991 54.000 0.307 0.000 0.769 964 D CB 0.320 41.200 40.800 0.134 0.000 1.215 964 D HN 0.094 nan 8.370 nan 0.000 0.473 965 L N 1.357 122.684 121.223 0.173 0.000 2.462 965 L HA 0.544 4.884 4.340 -0.000 0.000 0.272 965 L C 0.287 177.149 176.870 -0.014 0.000 1.166 965 L CA 0.164 54.963 54.840 -0.070 0.000 0.880 965 L CB 0.714 42.822 42.059 0.083 0.000 1.142 965 L HN 0.288 nan 8.230 nan 0.000 0.473 966 A N 2.596 125.347 122.820 -0.114 0.000 2.590 966 A HA 0.568 4.888 4.320 -0.000 0.000 0.296 966 A C 0.274 177.813 177.584 -0.075 0.000 1.050 966 A CA 0.003 51.920 52.037 -0.201 0.000 0.697 966 A CB 0.567 19.062 19.000 -0.841 0.000 1.277 966 A HN 0.751 nan 8.150 nan 0.000 0.411 967 A N 1.550 124.407 122.820 0.062 0.000 1.927 967 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 967 A C 2.053 179.656 177.584 0.031 0.000 1.185 967 A CA 2.500 54.575 52.037 0.065 0.000 0.639 967 A CB -0.710 18.374 19.000 0.140 0.000 0.820 967 A HN 1.399 nan 8.150 nan 0.000 0.451 968 R N -0.799 119.702 120.500 0.002 0.000 2.127 968 R HA -0.118 4.221 4.340 -0.000 0.000 0.238 968 R C 0.805 177.192 176.300 0.145 0.000 1.134 968 R CA 1.788 57.920 56.100 0.053 0.000 0.975 968 R CB -0.560 29.732 30.300 -0.014 0.000 0.865 968 R HN 0.422 nan 8.270 nan 0.000 0.447 969 N N 0.541 119.243 118.700 0.005 0.000 2.322 969 N HA 0.124 4.863 4.740 -0.000 0.000 0.194 969 N C -0.447 174.962 175.510 -0.168 0.000 1.126 969 N CA 0.265 53.245 53.050 -0.116 0.000 0.845 969 N CB 0.437 38.842 38.487 -0.137 0.000 0.976 969 N HN 0.202 nan 8.380 nan 0.000 0.475 970 I N 1.471 122.019 120.570 -0.037 0.000 2.412 970 I HA 0.339 4.508 4.170 -0.000 0.000 0.296 970 I C 0.300 176.421 176.117 0.006 0.000 0.987 970 I CA -0.571 60.701 61.300 -0.047 0.000 1.180 970 I CB 1.711 39.680 38.000 -0.051 0.000 1.340 970 I HN -0.257 nan 8.210 nan 0.000 0.455 971 L N 5.255 126.472 121.223 -0.010 0.000 2.344 971 L HA 0.537 4.877 4.340 -0.000 0.000 0.272 971 L C -0.366 176.443 176.870 -0.101 0.000 1.035 971 L CA -0.957 53.878 54.840 -0.009 0.000 0.807 971 L CB 2.197 44.274 42.059 0.029 0.000 1.237 971 L HN 0.210 nan 8.230 nan 0.000 0.442 972 V N 2.114 121.927 119.914 -0.167 0.000 2.293 972 V HA 0.458 4.578 4.120 -0.000 0.000 0.275 972 V C 0.638 176.639 176.094 -0.156 0.000 1.021 972 V CA -0.296 61.859 62.300 -0.242 0.000 0.815 972 V CB 0.760 32.245 31.823 -0.563 0.000 1.025 972 V HN 0.920 nan 8.190 nan 0.000 0.448 973 G N 3.017 111.759 108.800 -0.098 0.000 2.702 973 G HA2 0.399 4.359 3.960 -0.000 0.000 0.254 973 G HA3 0.399 4.359 3.960 -0.000 0.000 0.254 973 G C -0.169 174.686 174.900 -0.076 0.000 1.380 973 G CA -0.575 44.468 45.100 -0.094 0.000 1.042 973 G HN 0.504 nan 8.290 nan 0.000 0.557 974 E N 1.281 121.435 120.200 -0.078 0.000 2.765 974 E HA -0.089 4.261 4.350 -0.000 0.000 0.256 974 E C 0.135 176.704 176.600 -0.053 0.000 0.935 974 E CA 0.614 56.973 56.400 -0.068 0.000 0.954 974 E CB 0.161 29.836 29.700 -0.041 0.000 0.908 974 E HN 0.524 nan 8.360 nan 0.000 0.500 975 N N 2.510 121.174 118.700 -0.060 0.000 2.878 975 N HA -0.277 4.463 4.740 -0.000 0.000 0.247 975 N C -0.463 175.135 175.510 0.146 0.000 1.021 975 N CA 1.069 54.148 53.050 0.048 0.000 0.873 975 N CB -1.652 36.856 38.487 0.035 0.000 1.128 975 N HN 0.670 nan 8.380 nan 0.000 0.571 976 Y N -2.687 117.605 120.300 -0.013 0.000 3.568 976 Y HA -0.210 4.340 4.550 -0.000 0.000 0.220 976 Y C 0.075 176.013 175.900 0.063 0.000 1.319 976 Y CA 0.401 58.476 58.100 -0.041 0.000 1.629 976 Y CB -1.961 36.439 38.460 -0.099 0.000 1.515 976 Y HN 0.046 nan 8.280 nan 0.000 0.613 977 V N 1.054 121.038 119.914 0.117 0.000 2.385 977 V HA 0.622 4.742 4.120 -0.000 0.000 0.269 977 V C 0.848 177.020 176.094 0.129 0.000 1.043 977 V CA -0.414 61.957 62.300 0.118 0.000 0.906 977 V CB 1.133 32.987 31.823 0.052 0.000 0.995 977 V HN 0.466 nan 8.190 nan 0.000 0.467 978 A N 6.342 129.294 122.820 0.221 0.000 2.498 978 A HA 0.444 4.763 4.320 -0.000 0.000 0.239 978 A C 0.248 177.870 177.584 0.063 0.000 1.068 978 A CA 0.068 52.183 52.037 0.129 0.000 0.766 978 A CB 0.121 19.247 19.000 0.209 0.000 1.003 978 A HN 0.837 nan 8.150 nan 0.000 0.497 979 K N 2.476 122.880 120.400 0.007 0.000 2.541 979 K HA 0.411 4.731 4.320 -0.000 0.000 0.250 979 K C -1.130 175.449 176.600 -0.035 0.000 0.950 979 K CA -0.329 55.955 56.287 -0.004 0.000 0.805 979 K CB 2.013 34.508 32.500 -0.009 0.000 1.166 979 K HN 0.670 nan 8.250 nan 0.000 0.430 980 I N 2.914 123.458 120.570 -0.044 0.000 2.683 980 I HA 0.017 4.187 4.170 -0.000 0.000 0.286 980 I C 0.446 176.520 176.117 -0.072 0.000 1.175 980 I CA 0.595 61.855 61.300 -0.067 0.000 1.429 980 I CB 0.544 38.505 38.000 -0.065 0.000 1.371 980 I HN 0.758 nan 8.210 nan 0.000 0.569 981 A N 5.406 128.155 122.820 -0.119 0.000 2.525 981 A HA 0.742 5.062 4.320 -0.000 0.000 0.291 981 A C -1.389 176.056 177.584 -0.232 0.000 1.268 981 A CA -0.416 51.478 52.037 -0.237 0.000 0.712 981 A CB 1.918 20.640 19.000 -0.463 0.000 1.320 981 A HN 0.593 nan 8.150 nan 0.000 0.456 982 D N -0.882 119.239 120.400 -0.466 0.000 2.333 982 D HA 0.330 4.970 4.640 -0.000 0.000 0.225 982 D C -1.007 175.089 176.300 -0.340 0.000 1.345 982 D CA -0.234 53.563 54.000 -0.338 0.000 0.971 982 D CB 0.366 41.057 40.800 -0.182 0.000 1.451 982 D HN 0.290 nan 8.370 nan 0.000 0.561 983 F N 1.809 121.773 119.950 0.023 0.000 2.776 983 F HA 0.387 4.914 4.527 -0.000 0.000 0.300 983 F C 1.704 177.508 175.800 0.007 0.000 1.116 983 F CA 0.534 58.541 58.000 0.012 0.000 1.375 983 F CB 0.672 39.678 39.000 0.009 0.000 1.109 983 F HN 0.545 nan 8.300 nan 0.000 0.585 984 G N 0.426 109.291 108.800 0.109 0.000 2.570 984 G HA2 0.196 4.156 3.960 -0.000 0.000 0.686 984 G HA3 0.196 4.156 3.960 -0.000 0.000 0.686 984 G C -0.889 174.045 174.900 0.057 0.000 1.257 984 G CA -0.925 44.215 45.100 0.067 0.000 0.846 984 G HN 0.368 nan 8.290 nan 0.000 0.627 998 G N 3.286 112.107 108.800 0.034 0.000 2.272 998 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.280 998 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.280 998 G C 0.069 174.995 174.900 0.044 0.000 1.067 998 G CA 1.326 46.448 45.100 0.037 0.000 0.902 998 G HN 1.918 nan 8.290 nan 0.000 0.500 999 R N -0.827 119.705 120.500 0.052 0.000 2.861 999 R HA 0.474 4.814 4.340 -0.000 0.000 0.268 999 R C 0.594 176.942 176.300 0.080 0.000 1.027 999 R CA -0.437 55.702 56.100 0.065 0.000 1.163 999 R CB 0.499 30.842 30.300 0.071 0.000 1.060 999 R HN 0.251 nan 8.270 nan 0.000 0.483 1000 L N 1.742 123.023 121.223 0.096 0.000 2.397 1000 L HA 0.264 4.604 4.340 -0.000 0.000 0.271 1000 L C -1.481 175.476 176.870 0.146 0.000 1.148 1000 L CA -2.166 52.745 54.840 0.118 0.000 0.825 1000 L CB 0.836 42.974 42.059 0.132 0.000 1.117 1000 L HN 0.644 nan 8.230 nan 0.000 0.456 1001 P HA 0.029 nan 4.420 nan 0.000 0.232 1001 P C 1.138 178.637 177.300 0.331 0.000 1.738 1001 P CA -0.082 63.175 63.100 0.260 0.000 0.948 1001 P CB 0.188 31.995 31.700 0.180 0.000 1.943 1002 V N 1.711 121.750 119.914 0.208 0.000 2.313 1002 V HA -0.299 3.821 4.120 -0.000 0.000 0.253 1002 V C 2.631 178.762 176.094 0.062 0.000 1.070 1002 V CA 1.986 64.329 62.300 0.071 0.000 1.057 1002 V CB -1.035 30.791 31.823 0.004 0.000 0.653 1002 V HN 0.378 nan 8.190 nan 0.000 0.450 1003 R N -1.506 119.091 120.500 0.161 0.000 2.241 1003 R HA -0.141 4.199 4.340 -0.000 0.000 0.224 1003 R C 1.899 178.168 176.300 -0.052 0.000 1.101 1003 R CA 1.429 57.534 56.100 0.008 0.000 0.995 1003 R CB -0.167 30.003 30.300 -0.218 0.000 0.870 1003 R HN 0.602 nan 8.270 nan 0.000 0.463 1004 W N -0.194 121.204 121.300 0.164 0.000 3.103 1004 W HA 0.266 4.926 4.660 -0.000 0.000 0.325 1004 W C 0.169 176.834 176.519 0.243 0.000 1.170 1004 W CA -0.483 57.004 57.345 0.237 0.000 1.712 1004 W CB 0.270 29.854 29.460 0.206 0.000 1.068 1004 W HN -0.008 nan 8.180 nan 0.000 0.592 1005 M N 0.647 120.383 119.600 0.227 0.000 2.235 1005 M HA 0.357 4.837 4.480 -0.000 0.000 0.351 1005 M C 0.705 176.610 176.300 -0.658 0.000 1.178 1005 M CA -0.156 55.097 55.300 -0.079 0.000 1.143 1005 M CB 1.121 33.658 32.600 -0.106 0.000 1.530 1005 M HN -0.256 nan 8.290 nan 0.000 0.461 1006 A N 3.089 125.352 122.820 -0.928 0.000 2.406 1006 A HA 0.231 4.551 4.320 -0.000 0.000 0.243 1006 A C 1.082 177.995 177.584 -1.119 0.000 1.082 1006 A CA -0.280 50.755 52.037 -1.670 0.000 0.786 1006 A CB -0.032 18.549 19.000 -0.698 0.000 1.029 1006 A HN 0.997 nan 8.150 nan 0.000 0.495 1007 I N 0.516 120.394 120.570 -1.153 0.000 2.264 1007 I HA -0.253 3.917 4.170 -0.000 0.000 0.248 1007 I C 2.465 178.398 176.117 -0.306 0.000 1.111 1007 I CA 1.890 62.853 61.300 -0.561 0.000 1.382 1007 I CB -0.469 37.331 38.000 -0.334 0.000 1.060 1007 I HN 0.917 nan 8.210 nan 0.000 0.418 1008 E N 1.141 121.187 120.200 -0.255 0.000 2.274 1008 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 1008 E C 1.897 178.421 176.600 -0.126 0.000 0.996 1008 E CA 1.268 57.624 56.400 -0.072 0.000 0.840 1008 E CB -0.222 29.433 29.700 -0.075 0.000 0.772 1008 E HN 0.398 nan 8.360 nan 0.000 0.491 1009 S N 0.906 116.409 115.700 -0.327 0.000 2.395 1009 S HA 0.096 4.566 4.470 -0.000 0.000 0.225 1009 S C 2.034 176.469 174.600 -0.275 0.000 1.027 1009 S CA 0.350 58.267 58.200 -0.473 0.000 0.965 1009 S CB -0.114 62.664 63.200 -0.702 0.000 0.812 1009 S HN 0.203 nan 8.310 nan 0.000 0.482 1010 L N 1.672 122.747 121.223 -0.248 0.000 2.056 1010 L HA -0.088 4.252 4.340 -0.000 0.000 0.207 1010 L C 1.829 178.676 176.870 -0.039 0.000 1.078 1010 L CA 0.935 55.688 54.840 -0.145 0.000 0.749 1010 L CB -0.397 41.463 42.059 -0.332 0.000 0.901 1010 L HN 0.294 nan 8.230 nan 0.000 0.433 1011 N N -1.425 117.203 118.700 -0.121 0.000 2.409 1011 N HA -0.044 4.696 4.740 -0.000 0.000 0.174 1011 N C 0.544 175.661 175.510 -0.654 0.000 1.037 1011 N CA 0.898 53.737 53.050 -0.352 0.000 0.898 1011 N CB 0.341 38.574 38.487 -0.424 0.000 1.010 1011 N HN 0.347 nan 8.380 nan 0.000 0.445 1012 Y N -0.483 119.789 120.300 -0.047 0.000 2.767 1012 Y HA 0.295 4.845 4.550 -0.000 0.000 0.254 1012 Y C 0.393 176.282 175.900 -0.018 0.000 1.133 1012 Y CA -0.602 57.482 58.100 -0.027 0.000 1.225 1012 Y CB 0.139 38.582 38.460 -0.029 0.000 1.312 1012 Y HN -0.238 nan 8.280 nan 0.000 0.560 1013 S N 0.338 116.076 115.700 0.062 0.000 3.581 1013 S HA -0.143 4.327 4.470 -0.000 0.000 0.354 1013 S C 0.013 174.675 174.600 0.102 0.000 1.059 1013 S CA 0.512 58.775 58.200 0.106 0.000 1.060 1013 S CB -1.663 61.660 63.200 0.204 0.000 0.908 1013 S HN 0.181 nan 8.310 nan 0.000 0.475 1014 V N 1.998 121.875 119.914 -0.061 0.000 2.432 1014 V HA 0.394 4.514 4.120 -0.000 0.000 0.271 1014 V C -0.151 175.807 176.094 -0.226 0.000 1.046 1014 V CA 0.001 62.279 62.300 -0.037 0.000 0.945 1014 V CB 0.412 32.217 31.823 -0.032 0.000 0.992 1014 V HN 0.424 nan 8.190 nan 0.000 0.471 1015 Y N 3.322 123.633 120.300 0.018 0.000 2.350 1015 Y HA 0.673 5.223 4.550 -0.000 0.000 0.338 1015 Y C 0.511 176.420 175.900 0.015 0.000 0.961 1015 Y CA -0.501 57.608 58.100 0.015 0.000 1.100 1015 Y CB 2.316 40.774 38.460 -0.003 0.000 1.179 1015 Y HN 0.766 nan 8.280 nan 0.000 0.454 1016 T N -2.812 111.830 114.554 0.147 0.000 2.731 1016 T HA 0.228 4.577 4.350 -0.000 0.000 0.300 1016 T C 0.575 175.359 174.700 0.140 0.000 1.283 1016 T CA -0.628 61.540 62.100 0.113 0.000 1.005 1016 T CB 1.287 70.203 68.868 0.080 0.000 1.420 1016 T HN 0.326 nan 8.240 nan 0.000 0.503 1017 T N 0.923 115.558 114.554 0.134 0.000 2.833 1017 T HA -0.064 4.286 4.350 -0.000 0.000 0.269 1017 T C 1.755 176.528 174.700 0.121 0.000 1.054 1017 T CA 1.942 64.157 62.100 0.191 0.000 1.135 1017 T CB -0.697 68.280 68.868 0.181 0.000 0.869 1017 T HN 0.683 nan 8.240 nan 0.000 0.466 1018 N N 0.945 119.691 118.700 0.077 0.000 2.188 1018 N HA -0.096 4.644 4.740 -0.000 0.000 0.184 1018 N C 2.129 177.708 175.510 0.115 0.000 1.018 1018 N CA 1.319 54.398 53.050 0.049 0.000 0.858 1018 N CB -0.062 38.457 38.487 0.054 0.000 0.989 1018 N HN 0.424 nan 8.380 nan 0.000 0.426 1019 S N 0.256 116.035 115.700 0.132 0.000 2.436 1019 S HA -0.024 4.446 4.470 -0.000 0.000 0.228 1019 S C 1.363 176.132 174.600 0.282 0.000 1.014 1019 S CA 0.699 58.995 58.200 0.161 0.000 0.950 1019 S CB 0.064 63.271 63.200 0.012 0.000 0.784 1019 S HN 0.109 nan 8.310 nan 0.000 0.504 1020 D N 1.563 122.141 120.400 0.296 0.000 2.178 1020 D HA -0.012 4.628 4.640 -0.000 0.000 0.201 1020 D C 2.000 178.582 176.300 0.469 0.000 0.980 1020 D CA 0.789 55.042 54.000 0.423 0.000 0.842 1020 D CB -0.234 40.870 40.800 0.507 0.000 0.948 1020 D HN 0.326 nan 8.370 nan 0.000 0.472 1021 V N 0.815 120.847 119.914 0.196 0.000 2.427 1021 V HA -0.171 3.949 4.120 -0.000 0.000 0.248 1021 V C 2.153 178.411 176.094 0.272 0.000 1.051 1021 V CA 1.045 63.327 62.300 -0.032 0.000 1.048 1021 V CB -0.348 31.264 31.823 -0.351 0.000 0.666 1021 V HN 0.381 nan 8.190 nan 0.000 0.456 1022 W N 1.263 122.671 121.300 0.180 0.000 2.335 1022 W HA -0.204 4.456 4.660 0.000 0.000 0.311 1022 W C 2.484 179.262 176.519 0.432 0.000 1.213 1022 W CA 2.169 59.711 57.345 0.329 0.000 1.274 1022 W CB -0.701 28.905 29.460 0.242 0.000 1.148 1022 W HN 0.330 nan 8.180 nan 0.000 0.498 1023 S N 0.085 116.242 115.700 0.761 0.000 2.368 1023 S HA -0.282 4.188 4.470 -0.000 0.000 0.225 1023 S C 1.535 176.480 174.600 0.575 0.000 1.030 1023 S CA 1.697 60.315 58.200 0.697 0.000 0.999 1023 S CB -1.267 62.278 63.200 0.576 0.000 0.844 1023 S HN 0.429 nan 8.310 nan 0.000 0.459 1024 Y N 2.563 123.108 120.300 0.408 0.000 2.114 1024 Y HA -0.192 4.358 4.550 -0.000 0.000 0.282 1024 Y C 2.412 178.467 175.900 0.258 0.000 1.165 1024 Y CA 1.458 59.760 58.100 0.336 0.000 1.148 1024 Y CB -1.006 37.686 38.460 0.386 0.000 0.972 1024 Y HN 0.228 nan 8.280 nan 0.000 0.504 1025 G N -0.688 108.247 108.800 0.226 0.000 2.450 1025 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.220 1025 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.220 1025 G C 1.666 176.738 174.900 0.288 0.000 1.130 1025 G CA 1.370 46.428 45.100 -0.070 0.000 0.760 1025 G HN 0.397 nan 8.290 nan 0.000 0.557 1026 V N 0.680 120.925 119.914 0.552 0.000 2.358 1026 V HA -0.097 4.023 4.120 -0.000 0.000 0.246 1026 V C 2.629 178.942 176.094 0.366 0.000 1.047 1026 V CA 1.504 64.041 62.300 0.396 0.000 1.035 1026 V CB -0.384 31.473 31.823 0.057 0.000 0.658 1026 V HN 0.381 nan 8.190 nan 0.000 0.452 1027 L N 0.207 121.622 121.223 0.320 0.000 2.042 1027 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 1027 L C 2.195 179.104 176.870 0.065 0.000 1.076 1027 L CA 1.983 56.961 54.840 0.230 0.000 0.749 1027 L CB -0.908 41.205 42.059 0.090 0.000 0.893 1027 L HN 0.303 nan 8.230 nan 0.000 0.432 1028 L N -1.086 120.053 121.223 -0.139 0.000 2.042 1028 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 1028 L C 2.292 179.205 176.870 0.071 0.000 1.076 1028 L CA 2.171 56.935 54.840 -0.128 0.000 0.749 1028 L CB -1.199 40.728 42.059 -0.221 0.000 0.893 1028 L HN 0.582 nan 8.230 nan 0.000 0.432 1029 W N 0.934 122.252 121.300 0.031 0.000 2.338 1029 W HA -0.209 4.451 4.660 -0.000 0.000 0.304 1029 W C 2.313 178.873 176.519 0.068 0.000 1.212 1029 W CA 2.210 59.610 57.345 0.093 0.000 1.264 1029 W CB -0.060 29.506 29.460 0.177 0.000 1.142 1029 W HN 0.276 nan 8.180 nan 0.000 0.512 1030 E N 0.148 120.569 120.200 0.368 0.000 2.085 1030 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 1030 E C 2.126 178.731 176.600 0.007 0.000 0.994 1030 E CA 1.828 58.358 56.400 0.216 0.000 0.801 1030 E CB -0.545 29.367 29.700 0.353 0.000 0.743 1030 E HN 0.394 nan 8.360 nan 0.000 0.453 1031 I N 0.826 121.420 120.570 0.041 0.000 2.099 1031 I HA -0.283 3.887 4.170 -0.000 0.000 0.239 1031 I C 2.477 178.583 176.117 -0.018 0.000 1.066 1031 I CA 1.013 62.338 61.300 0.042 0.000 1.324 1031 I CB -0.409 37.638 38.000 0.079 0.000 1.037 1031 I HN -0.006 nan 8.210 nan 0.000 0.401 1032 V N 0.380 120.246 119.914 -0.079 0.000 2.332 1032 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 1032 V C 2.359 178.333 176.094 -0.201 0.000 1.055 1032 V CA 2.229 64.461 62.300 -0.114 0.000 1.038 1032 V CB -0.544 31.192 31.823 -0.144 0.000 0.651 1032 V HN 0.391 nan 8.190 nan 0.000 0.450 1033 S N -1.067 114.378 115.700 -0.426 0.000 2.555 1033 S HA 0.119 4.589 4.470 -0.000 0.000 0.230 1033 S C 0.976 175.455 174.600 -0.201 0.000 0.978 1033 S CA 0.312 58.222 58.200 -0.484 0.000 0.934 1033 S CB -0.289 62.287 63.200 -1.039 0.000 0.766 1033 S HN 0.497 nan 8.310 nan 0.000 0.533 1034 L N -0.184 120.974 121.223 -0.108 0.000 3.717 1034 L HA -0.247 4.093 4.340 -0.000 0.000 0.411 1034 L C 0.891 177.731 176.870 -0.050 0.000 1.233 1034 L CA 0.039 54.853 54.840 -0.043 0.000 0.917 1034 L CB -2.283 39.758 42.059 -0.030 0.000 1.902 1034 L HN 0.475 nan 8.230 nan 0.000 0.894 1035 G N -1.497 107.293 108.800 -0.017 0.000 2.132 1035 G HA2 -0.109 3.850 3.960 -0.000 0.000 0.234 1035 G HA3 -0.109 3.850 3.960 -0.000 0.000 0.234 1035 G C 0.518 175.474 174.900 0.092 0.000 0.989 1035 G CA 0.052 45.185 45.100 0.055 0.000 0.676 1035 G HN 1.088 nan 8.290 nan 0.000 0.522 1036 G N -0.276 108.556 108.800 0.053 0.000 2.483 1036 G HA2 0.511 4.471 3.960 -0.000 0.000 0.248 1036 G HA3 0.511 4.471 3.960 -0.000 0.000 0.248 1036 G C 0.378 175.519 174.900 0.401 0.000 1.248 1036 G CA 0.660 45.862 45.100 0.170 0.000 0.838 1036 G HN 0.513 nan 8.290 nan 0.000 0.566 1037 T N 4.043 118.775 114.554 0.297 0.000 2.901 1037 T HA 0.306 4.656 4.350 -0.000 0.000 0.301 1037 T C -1.825 172.927 174.700 0.086 0.000 1.012 1037 T CA -0.328 61.904 62.100 0.219 0.000 1.135 1037 T CB 1.321 70.280 68.868 0.150 0.000 0.936 1037 T HN 0.415 nan 8.240 nan 0.000 0.539 1038 P HA 0.176 nan 4.420 nan 0.000 0.279 1038 P C -0.791 176.116 177.300 -0.655 0.000 1.239 1038 P CA -0.422 62.081 63.100 -0.996 0.000 0.789 1038 P CB 0.199 31.120 31.700 -1.297 0.000 0.933 1039 Y N -1.132 118.881 120.300 -0.479 0.000 3.790 1039 Y HA -0.206 4.344 4.550 -0.000 0.000 0.226 1039 Y C 1.085 176.900 175.900 -0.142 0.000 1.257 1039 Y CA -0.310 57.631 58.100 -0.266 0.000 1.765 1039 Y CB -2.812 35.477 38.460 -0.284 0.000 1.552 1039 Y HN 0.461 nan 8.280 nan 0.000 0.650 1040 C N 1.766 121.071 119.300 0.008 0.000 2.419 1040 C HA 0.351 4.811 4.460 -0.000 0.000 0.398 1040 C C 1.839 176.861 174.990 0.054 0.000 1.498 1040 C CA 1.532 60.584 59.018 0.055 0.000 1.494 1040 C CB -0.848 26.947 27.740 0.093 0.000 2.485 1040 C HN 1.793 nan 8.230 nan 0.000 0.608 1041 G N 5.335 114.161 108.800 0.045 0.000 2.160 1041 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.251 1041 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.251 1041 G C -0.244 174.661 174.900 0.009 0.000 1.008 1041 G CA 0.603 45.721 45.100 0.030 0.000 0.724 1041 G HN 0.962 nan 8.290 nan 0.000 0.514 1042 M N 1.007 120.607 119.600 0.000 0.000 2.456 1042 M HA 0.555 5.035 4.480 -0.000 0.000 0.324 1042 M C 0.440 176.703 176.300 -0.063 0.000 1.124 1042 M CA -0.449 54.819 55.300 -0.054 0.000 0.959 1042 M CB 1.425 33.969 32.600 -0.092 0.000 1.692 1042 M HN 0.079 nan 8.290 nan 0.000 0.444 1043 T N 2.408 116.913 114.554 -0.082 0.000 2.913 1043 T HA 0.074 4.424 4.350 -0.000 0.000 0.297 1043 T C 0.958 175.611 174.700 -0.079 0.000 1.029 1043 T CA -0.641 61.424 62.100 -0.059 0.000 1.104 1043 T CB 0.867 69.706 68.868 -0.049 0.000 0.964 1043 T HN 0.867 nan 8.240 nan 0.000 0.532 1044 C N 2.029 121.311 119.300 -0.029 0.000 2.422 1044 C HA -0.038 4.422 4.460 -0.000 0.000 0.279 1044 C C 2.829 177.845 174.990 0.044 0.000 1.305 1044 C CA 1.061 60.072 59.018 -0.011 0.000 1.757 1044 C CB -1.380 26.392 27.740 0.054 0.000 1.962 1044 C HN 1.024 nan 8.230 nan 0.000 0.499 1045 A N -0.629 122.224 122.820 0.054 0.000 2.021 1045 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 1045 A C 2.021 179.619 177.584 0.023 0.000 1.163 1045 A CA 1.111 53.207 52.037 0.099 0.000 0.676 1045 A CB -0.575 18.429 19.000 0.006 0.000 0.818 1045 A HN 0.677 nan 8.150 nan 0.000 0.453 1046 E N -0.252 119.908 120.200 -0.068 0.000 2.333 1046 E HA -0.121 4.229 4.350 -0.000 0.000 0.198 1046 E C 1.633 178.098 176.600 -0.226 0.000 1.007 1046 E CA 0.593 56.910 56.400 -0.139 0.000 0.845 1046 E CB -0.129 29.469 29.700 -0.169 0.000 0.766 1046 E HN 0.672 nan 8.360 nan 0.000 0.507 1047 L N -0.862 120.211 121.223 -0.250 0.000 2.102 1047 L HA -0.096 4.244 4.340 -0.000 0.000 0.202 1047 L C 1.899 178.612 176.870 -0.262 0.000 1.076 1047 L CA 0.640 55.246 54.840 -0.390 0.000 0.761 1047 L CB -0.417 41.318 42.059 -0.540 0.000 0.921 1047 L HN 0.196 nan 8.230 nan 0.000 0.444 1048 Y N 0.530 120.713 120.300 -0.195 0.000 2.298 1048 Y HA -0.315 4.235 4.550 -0.000 0.000 0.287 1048 Y C 2.650 178.474 175.900 -0.127 0.000 1.164 1048 Y CA 1.785 59.795 58.100 -0.150 0.000 1.229 1048 Y CB -0.099 38.285 38.460 -0.127 0.000 0.977 1048 Y HN 0.308 nan 8.280 nan 0.000 0.538 1049 E N 0.256 120.463 120.200 0.012 0.000 2.038 1049 E HA -0.123 4.227 4.350 -0.000 0.000 0.190 1049 E C 1.857 178.429 176.600 -0.047 0.000 0.967 1049 E CA 0.587 56.974 56.400 -0.021 0.000 0.816 1049 E CB 0.056 29.733 29.700 -0.039 0.000 0.784 1049 E HN 0.334 nan 8.360 nan 0.000 0.456 1050 K N 0.615 120.949 120.400 -0.110 0.000 2.148 1050 K HA -0.052 4.268 4.320 -0.000 0.000 0.204 1050 K C 2.346 178.946 176.600 -0.001 0.000 1.050 1050 K CA 0.654 56.888 56.287 -0.088 0.000 0.942 1050 K CB -0.053 32.282 32.500 -0.275 0.000 0.724 1050 K HN 0.202 nan 8.250 nan 0.000 0.446 1051 L N 0.909 122.092 121.223 -0.067 0.000 1.989 1051 L HA -0.169 4.171 4.340 -0.000 0.000 0.211 1051 L C -0.732 176.173 176.870 0.057 0.000 1.071 1051 L CA 1.668 56.515 54.840 0.011 0.000 0.749 1051 L CB -1.197 40.804 42.059 -0.096 0.000 0.890 1051 L HN 0.086 nan 8.230 nan 0.000 0.431 1052 P HA -0.165 nan 4.420 nan 0.000 0.222 1052 P C 0.937 178.269 177.300 0.053 0.000 1.147 1052 P CA 1.116 64.236 63.100 0.034 0.000 0.790 1052 P CB 0.006 31.718 31.700 0.020 0.000 0.780 1053 Q N -1.578 118.256 119.800 0.058 0.000 2.365 1053 Q HA 0.227 4.567 4.340 -0.000 0.000 0.203 1053 Q C 1.204 177.256 176.000 0.087 0.000 0.929 1053 Q CA 0.539 56.382 55.803 0.065 0.000 0.948 1053 Q CB -0.236 28.538 28.738 0.060 0.000 1.043 1053 Q HN 0.203 nan 8.270 nan 0.000 0.505 1054 G N 0.507 109.369 108.800 0.104 0.000 2.175 1054 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.244 1054 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.244 1054 G C -0.206 174.759 174.900 0.109 0.000 0.982 1054 G CA -0.169 44.992 45.100 0.100 0.000 0.641 1054 G HN 0.451 nan 8.290 nan 0.000 0.527 1055 Y N 2.674 122.986 120.300 0.021 0.000 2.597 1055 Y HA 0.554 5.104 4.550 -0.000 0.000 0.336 1055 Y C 0.746 176.652 175.900 0.010 0.000 1.216 1055 Y CA 0.086 58.193 58.100 0.010 0.000 1.463 1055 Y CB 0.467 38.912 38.460 -0.026 0.000 1.303 1055 Y HN 0.263 nan 8.280 nan 0.000 0.576 1056 R N 4.753 125.015 120.500 -0.397 0.000 2.764 1056 R HA 0.385 4.725 4.340 -0.000 0.000 0.270 1056 R C -1.226 174.865 176.300 -0.349 0.000 1.014 1056 R CA -1.227 54.739 56.100 -0.223 0.000 0.904 1056 R CB 1.240 31.492 30.300 -0.080 0.000 1.236 1056 R HN 0.788 nan 8.270 nan 0.000 0.466 1057 L N 1.738 122.732 121.223 -0.382 0.000 2.499 1057 L HA 0.118 4.458 4.340 -0.000 0.000 0.281 1057 L C 1.421 178.299 176.870 0.013 0.000 1.234 1057 L CA 0.413 55.026 54.840 -0.378 0.000 0.839 1057 L CB 0.116 41.610 42.059 -0.941 0.000 1.104 1057 L HN 0.738 nan 8.230 nan 0.000 0.500 1058 E N 2.729 122.964 120.200 0.059 0.000 2.318 1058 E HA 0.204 4.554 4.350 -0.000 0.000 0.265 1058 E C -0.159 176.496 176.600 0.091 0.000 1.069 1058 E CA -0.844 55.615 56.400 0.099 0.000 0.893 1058 E CB 0.660 30.381 29.700 0.036 0.000 1.076 1058 E HN 0.545 nan 8.360 nan 0.000 0.414 1059 K N 2.185 122.313 120.400 -0.453 0.000 2.382 1059 K HA 0.143 4.463 4.320 -0.000 0.000 0.286 1059 K C -2.205 174.236 176.600 -0.264 0.000 1.062 1059 K CA -1.110 54.622 56.287 -0.926 0.000 1.000 1059 K CB -0.118 31.647 32.500 -1.226 0.000 0.954 1059 K HN 0.223 nan 8.250 nan 0.000 0.470 1060 P HA -0.063 nan 4.420 nan 0.000 0.265 1060 P C 0.622 177.876 177.300 -0.076 0.000 1.193 1060 P CA -0.016 63.039 63.100 -0.075 0.000 0.765 1060 P CB 0.595 32.176 31.700 -0.199 0.000 0.823 1061 L N 2.068 123.268 121.223 -0.039 0.000 2.051 1061 L HA -0.231 4.109 4.340 -0.000 0.000 0.214 1061 L C 1.760 178.651 176.870 0.035 0.000 1.076 1061 L CA 1.658 56.496 54.840 -0.003 0.000 0.758 1061 L CB -0.727 41.348 42.059 0.027 0.000 0.890 1061 L HN 0.543 nan 8.230 nan 0.000 0.433 1062 N N -0.860 117.876 118.700 0.060 0.000 2.362 1062 N HA -0.043 4.696 4.740 -0.000 0.000 0.211 1062 N C -0.298 175.243 175.510 0.051 0.000 1.170 1062 N CA -0.120 52.989 53.050 0.099 0.000 0.828 1062 N CB -0.393 38.186 38.487 0.153 0.000 1.034 1062 N HN 0.160 nan 8.380 nan 0.000 0.475 1063 C N 0.750 120.059 119.300 0.016 0.000 2.351 1063 C HA 0.374 4.834 4.460 -0.000 0.000 0.326 1063 C C -0.187 174.831 174.990 0.046 0.000 1.272 1063 C CA -0.972 58.064 59.018 0.029 0.000 1.650 1063 C CB -0.012 27.730 27.740 0.003 0.000 2.257 1063 C HN 0.443 nan 8.230 nan 0.000 0.505 1064 D N 3.106 123.565 120.400 0.098 0.000 2.382 1064 D HA 0.114 4.754 4.640 -0.000 0.000 0.245 1064 D C 1.133 177.519 176.300 0.144 0.000 1.120 1064 D CA 0.361 54.429 54.000 0.114 0.000 0.890 1064 D CB 0.902 41.820 40.800 0.196 0.000 1.201 1064 D HN 0.599 nan 8.370 nan 0.000 0.433 1065 D N 2.757 123.227 120.400 0.117 0.000 2.203 1065 D HA -0.197 4.443 4.640 -0.000 0.000 0.199 1065 D C 1.282 177.676 176.300 0.157 0.000 0.997 1065 D CA 1.188 55.277 54.000 0.148 0.000 0.863 1065 D CB 0.181 41.044 40.800 0.105 0.000 0.928 1065 D HN 0.662 nan 8.370 nan 0.000 0.458 1066 E N 0.244 120.534 120.200 0.151 0.000 2.204 1066 E HA -0.093 4.257 4.350 -0.000 0.000 0.194 1066 E C 2.301 178.930 176.600 0.048 0.000 0.989 1066 E CA 0.464 56.926 56.400 0.104 0.000 0.824 1066 E CB 0.204 30.002 29.700 0.162 0.000 0.756 1066 E HN 0.170 nan 8.360 nan 0.000 0.477 1067 V N 0.557 120.525 119.914 0.090 0.000 2.407 1067 V HA -0.217 3.903 4.120 -0.000 0.000 0.245 1067 V C 2.022 178.148 176.094 0.053 0.000 1.041 1067 V CA 1.361 63.684 62.300 0.037 0.000 1.040 1067 V CB -0.564 31.300 31.823 0.069 0.000 0.671 1067 V HN 0.238 nan 8.190 nan 0.000 0.455 1068 Y N 1.740 122.025 120.300 -0.024 0.000 2.207 1068 Y HA -0.230 4.320 4.550 -0.000 0.000 0.287 1068 Y C 2.297 178.138 175.900 -0.098 0.000 1.156 1068 Y CA 1.629 59.707 58.100 -0.037 0.000 1.182 1068 Y CB -0.433 38.035 38.460 0.013 0.000 0.979 1068 Y HN 0.337 nan 8.280 nan 0.000 0.521 1069 D N -0.216 120.124 120.400 -0.099 0.000 2.117 1069 D HA -0.171 4.469 4.640 -0.000 0.000 0.197 1069 D C 2.209 178.348 176.300 -0.267 0.000 0.987 1069 D CA 1.234 55.112 54.000 -0.202 0.000 0.829 1069 D CB -0.519 40.232 40.800 -0.082 0.000 0.961 1069 D HN 0.378 nan 8.370 nan 0.000 0.460 1070 L N 0.377 121.478 121.223 -0.204 0.000 2.131 1070 L HA -0.075 4.265 4.340 -0.000 0.000 0.210 1070 L C 2.179 178.834 176.870 -0.359 0.000 1.092 1070 L CA 1.363 56.076 54.840 -0.212 0.000 0.759 1070 L CB -0.419 41.566 42.059 -0.123 0.000 0.903 1070 L HN -0.027 nan 8.230 nan 0.000 0.435 1071 M N -1.483 117.826 119.600 -0.485 0.000 2.132 1071 M HA -0.139 4.341 4.480 -0.000 0.000 0.263 1071 M C 2.243 177.715 176.300 -1.380 0.000 1.065 1071 M CA 1.217 55.959 55.300 -0.930 0.000 1.122 1071 M CB -0.284 31.830 32.600 -0.811 0.000 1.365 1071 M HN 0.134 nan 8.290 nan 0.000 0.411 1072 R N 0.464 120.399 120.500 -0.941 0.000 2.073 1072 R HA -0.124 4.216 4.340 -0.000 0.000 0.234 1072 R C 1.967 177.977 176.300 -0.483 0.000 1.134 1072 R CA 1.471 57.179 56.100 -0.653 0.000 0.952 1072 R CB -1.022 28.982 30.300 -0.494 0.000 0.850 1072 R HN 0.569 nan 8.270 nan 0.000 0.433 1073 Q N -0.199 119.353 119.800 -0.413 0.000 2.152 1073 Q HA -0.175 4.165 4.340 -0.000 0.000 0.206 1073 Q C 2.330 178.145 176.000 -0.309 0.000 0.985 1073 Q CA 1.795 57.425 55.803 -0.288 0.000 0.863 1073 Q CB -0.300 28.298 28.738 -0.232 0.000 0.904 1073 Q HN 0.342 nan 8.270 nan 0.000 0.422 1074 C N -0.722 118.292 119.300 -0.477 0.000 2.435 1074 C HA -0.111 4.349 4.460 -0.000 0.000 0.279 1074 C C 1.334 176.133 174.990 -0.319 0.000 1.321 1074 C CA 0.072 58.839 59.018 -0.419 0.000 1.752 1074 C CB -0.768 26.659 27.740 -0.522 0.000 1.959 1074 C HN 0.625 nan 8.230 nan 0.000 0.500 1075 W N 1.437 122.458 121.300 -0.466 0.000 3.269 1075 W HA 0.334 4.994 4.660 -0.000 0.000 0.413 1075 W C 0.582 176.908 176.519 -0.322 0.000 1.057 1075 W CA -0.888 55.947 57.345 -0.850 0.000 1.953 1075 W CB -1.130 27.568 29.460 -1.271 0.000 1.053 1075 W HN 0.339 nan 8.180 nan 0.000 0.753 1076 R N 1.255 121.784 120.500 0.047 0.000 2.537 1076 R HA -0.001 4.339 4.340 -0.000 0.000 0.280 1076 R C 1.517 177.926 176.300 0.182 0.000 1.058 1076 R CA 0.082 56.221 56.100 0.066 0.000 1.057 1076 R CB 1.031 31.307 30.300 -0.041 0.000 0.973 1076 R HN 0.161 nan 8.270 nan 0.000 0.438 1077 E N 2.976 123.268 120.200 0.154 0.000 2.070 1077 E HA -0.206 4.143 4.350 -0.000 0.000 0.197 1077 E C -0.326 176.278 176.600 0.008 0.000 1.004 1077 E CA 1.438 57.918 56.400 0.134 0.000 0.805 1077 E CB 0.234 29.984 29.700 0.083 0.000 0.744 1077 E HN 0.324 nan 8.360 nan 0.000 0.451 1078 K N 1.207 121.527 120.400 -0.133 0.000 2.278 1078 K HA 0.056 4.376 4.320 -0.000 0.000 0.289 1078 K C -2.045 174.264 176.600 -0.485 0.000 1.080 1078 K CA -1.349 54.686 56.287 -0.419 0.000 0.934 1078 K CB 1.016 33.084 32.500 -0.719 0.000 1.093 1078 K HN 0.071 nan 8.250 nan 0.000 0.459 1079 P HA -0.233 nan 4.420 nan 0.000 0.218 1079 P C 0.553 177.802 177.300 -0.086 0.000 1.152 1079 P CA 1.488 64.541 63.100 -0.079 0.000 0.857 1079 P CB -0.054 31.670 31.700 0.040 0.000 0.787 1080 Y N -1.685 118.624 120.300 0.014 0.000 2.546 1080 Y HA 0.195 4.745 4.550 -0.000 0.000 0.287 1080 Y C 1.507 177.404 175.900 -0.004 0.000 1.158 1080 Y CA 0.116 58.216 58.100 0.001 0.000 1.307 1080 Y CB -1.340 37.118 38.460 -0.003 0.000 1.036 1080 Y HN 0.026 nan 8.280 nan 0.000 0.532 1081 E N 0.930 120.958 120.200 -0.286 0.000 2.474 1081 E HA 0.106 4.456 4.350 -0.000 0.000 0.194 1081 E C 0.230 176.766 176.600 -0.107 0.000 1.041 1081 E CA -0.186 56.121 56.400 -0.154 0.000 0.874 1081 E CB 0.231 29.804 29.700 -0.212 0.000 0.914 1081 E HN 0.460 nan 8.360 nan 0.000 0.498 1082 R N 2.397 122.834 120.500 -0.103 0.000 2.539 1082 R HA 0.150 4.490 4.340 -0.000 0.000 0.275 1082 R C -2.117 174.113 176.300 -0.115 0.000 1.077 1082 R CA -1.421 54.616 56.100 -0.106 0.000 1.097 1082 R CB -0.082 30.170 30.300 -0.080 0.000 1.018 1082 R HN -0.012 nan 8.270 nan 0.000 0.483 1083 P HA -0.008 nan 4.420 nan 0.000 0.272 1083 P C -0.594 176.586 177.300 -0.200 0.000 1.240 1083 P CA -0.336 62.676 63.100 -0.146 0.000 0.791 1083 P CB 0.903 32.511 31.700 -0.153 0.000 0.978 1084 S N 0.029 115.639 115.700 -0.149 0.000 2.645 1084 S HA 0.227 4.697 4.470 -0.000 0.000 0.266 1084 S C 1.008 175.492 174.600 -0.194 0.000 1.258 1084 S CA -0.388 57.720 58.200 -0.154 0.000 0.990 1084 S CB -0.060 63.117 63.200 -0.039 0.000 0.967 1084 S HN 0.238 nan 8.310 nan 0.000 0.556 1085 F N 0.527 120.421 119.950 -0.094 0.000 2.365 1085 F HA 0.123 4.650 4.527 -0.000 0.000 0.300 1085 F C 2.566 178.293 175.800 -0.123 0.000 1.090 1085 F CA 0.919 58.822 58.000 -0.160 0.000 1.408 1085 F CB -0.908 38.009 39.000 -0.139 0.000 1.060 1085 F HN 0.770 nan 8.300 nan 0.000 0.534 1086 A N -0.533 122.343 122.820 0.093 0.000 1.930 1086 A HA -0.140 4.180 4.320 -0.000 0.000 0.215 1086 A C 2.096 179.686 177.584 0.009 0.000 1.176 1086 A CA 0.935 53.003 52.037 0.051 0.000 0.632 1086 A CB -0.514 18.514 19.000 0.047 0.000 0.819 1086 A HN 0.402 nan 8.150 nan 0.000 0.445 1087 Q N -0.538 119.251 119.800 -0.019 0.000 2.224 1087 Q HA -0.011 4.329 4.340 -0.000 0.000 0.203 1087 Q C 1.794 177.763 176.000 -0.051 0.000 0.970 1087 Q CA 1.120 56.900 55.803 -0.038 0.000 0.865 1087 Q CB -0.218 28.488 28.738 -0.055 0.000 0.922 1087 Q HN 0.725 nan 8.270 nan 0.000 0.445 1088 I N 0.092 120.622 120.570 -0.067 0.000 2.333 1088 I HA -0.216 3.954 4.170 -0.000 0.000 0.246 1088 I C 2.128 178.228 176.117 -0.029 0.000 1.106 1088 I CA 0.343 61.600 61.300 -0.072 0.000 1.411 1088 I CB -0.099 37.804 38.000 -0.161 0.000 1.082 1088 I HN 0.193 nan 8.210 nan 0.000 0.420 1089 L N 0.687 121.904 121.223 -0.010 0.000 2.012 1089 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 1089 L C 2.402 179.271 176.870 -0.002 0.000 1.073 1089 L CA 1.918 56.765 54.840 0.011 0.000 0.748 1089 L CB -0.606 41.471 42.059 0.029 0.000 0.891 1089 L HN -0.012 nan 8.230 nan 0.000 0.431 1090 V N -0.955 118.955 119.914 -0.007 0.000 2.343 1090 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 1090 V C 2.793 178.867 176.094 -0.033 0.000 1.051 1090 V CA 1.866 64.158 62.300 -0.014 0.000 1.036 1090 V CB -0.796 31.021 31.823 -0.010 0.000 0.654 1090 V HN 0.687 nan 8.190 nan 0.000 0.451 1091 S N -0.565 115.109 115.700 -0.044 0.000 2.368 1091 S HA -0.103 4.367 4.470 -0.000 0.000 0.224 1091 S C 1.961 176.501 174.600 -0.099 0.000 1.029 1091 S CA 1.408 59.568 58.200 -0.067 0.000 0.988 1091 S CB -0.284 62.874 63.200 -0.070 0.000 0.838 1091 S HN 0.502 nan 8.310 nan 0.000 0.462 1092 L N 1.516 122.691 121.223 -0.080 0.000 2.056 1092 L HA -0.080 4.260 4.340 -0.000 0.000 0.207 1092 L C 2.497 179.292 176.870 -0.124 0.000 1.078 1092 L CA 1.147 55.924 54.840 -0.106 0.000 0.749 1092 L CB -0.722 41.316 42.059 -0.034 0.000 0.901 1092 L HN 0.304 nan 8.230 nan 0.000 0.433 1093 N N -0.114 118.539 118.700 -0.077 0.000 2.149 1093 N HA -0.205 4.534 4.740 -0.000 0.000 0.188 1093 N C 1.910 177.377 175.510 -0.071 0.000 1.019 1093 N CA 0.948 53.958 53.050 -0.067 0.000 0.857 1093 N CB -0.332 38.140 38.487 -0.025 0.000 0.997 1093 N HN 0.222 nan 8.380 nan 0.000 0.426 1094 R N 0.751 121.208 120.500 -0.072 0.000 2.092 1094 R HA 0.020 4.360 4.340 -0.000 0.000 0.231 1094 R C 1.909 178.163 176.300 -0.076 0.000 1.119 1094 R CA 0.898 56.965 56.100 -0.055 0.000 0.970 1094 R CB -0.155 30.117 30.300 -0.047 0.000 0.864 1094 R HN 0.275 nan 8.270 nan 0.000 0.440 1095 M N 0.301 119.784 119.600 -0.195 0.000 2.156 1095 M HA -0.122 4.358 4.480 -0.000 0.000 0.264 1095 M C 2.351 178.580 176.300 -0.118 0.000 1.067 1095 M CA 1.382 56.466 55.300 -0.360 0.000 1.131 1095 M CB -0.240 31.842 32.600 -0.863 0.000 1.368 1095 M HN 0.078 nan 8.290 nan 0.000 0.416 1096 L N -0.124 121.010 121.223 -0.149 0.000 2.079 1096 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 1096 L C 2.514 179.365 176.870 -0.032 0.000 1.081 1096 L CA 1.038 55.801 54.840 -0.129 0.000 0.752 1096 L CB -0.582 41.322 42.059 -0.258 0.000 0.896 1096 L HN 0.265 nan 8.230 nan 0.000 0.433 1097 E N 0.424 120.613 120.200 -0.018 0.000 2.106 1097 E HA -0.096 4.254 4.350 -0.000 0.000 0.192 1097 E C 0.741 177.367 176.600 0.044 0.000 0.984 1097 E CA 0.688 57.097 56.400 0.014 0.000 0.806 1097 E CB 0.090 29.795 29.700 0.007 0.000 0.750 1097 E HN 0.398 nan 8.360 nan 0.000 0.458 1098 E N -1.345 118.905 120.200 0.083 0.000 2.397 1098 E HA 0.232 4.582 4.350 -0.000 0.000 0.254 1098 E C 1.360 178.010 176.600 0.084 0.000 1.231 1098 E CA 0.426 56.886 56.400 0.100 0.000 0.954 1098 E CB 0.456 30.255 29.700 0.166 0.000 1.024 1098 E HN 0.164 nan 8.360 nan 0.000 0.481 1099 R N 1.666 122.193 120.500 0.045 0.000 2.173 1099 R HA -0.011 4.329 4.340 -0.000 0.000 0.208 1099 R C 1.260 177.552 176.300 -0.013 0.000 1.035 1099 R CA 0.959 57.069 56.100 0.017 0.000 1.004 1099 R CB -0.532 29.768 30.300 0.001 0.000 0.917 1099 R HN 0.422 nan 8.270 nan 0.000 0.462 1100 K N 1.467 121.836 120.400 -0.052 0.000 2.485 1100 K HA 0.020 4.340 4.320 -0.000 0.000 0.277 1100 K C -0.826 175.620 176.600 -0.256 0.000 0.990 1100 K CA 0.546 56.712 56.287 -0.203 0.000 0.994 1100 K CB 0.406 32.697 32.500 -0.348 0.000 0.906 1100 K HN 0.280 nan 8.250 nan 0.000 0.488 1101 T N 4.207 118.602 114.554 -0.264 0.000 2.799 1101 T HA 0.210 4.560 4.350 -0.000 0.000 0.286 1101 T C 0.053 174.584 174.700 -0.283 0.000 0.973 1101 T CA -0.306 61.703 62.100 -0.152 0.000 1.035 1101 T CB 0.476 69.301 68.868 -0.071 0.000 0.932 1101 T HN 0.526 nan 8.240 nan 0.000 0.469 1102 Y N 1.235 121.533 120.300 -0.002 0.000 2.498 1102 Y HA 0.327 4.877 4.550 -0.000 0.000 0.259 1102 Y C 0.791 176.696 175.900 0.009 0.000 1.086 1102 Y CA -0.207 57.895 58.100 0.002 0.000 1.287 1102 Y CB 0.822 39.282 38.460 -0.001 0.000 1.146 1102 Y HN 0.304 nan 8.280 nan 0.000 0.523 1103 V N 1.666 121.668 119.914 0.147 0.000 2.349 1103 V HA 0.199 4.319 4.120 -0.000 0.000 0.284 1103 V C -0.697 175.440 176.094 0.071 0.000 1.014 1103 V CA -1.204 61.154 62.300 0.098 0.000 0.826 1103 V CB 0.926 32.802 31.823 0.088 0.000 1.009 1103 V HN 0.147 nan 8.190 nan 0.000 0.431 1104 N N 3.284 122.025 118.700 0.069 0.000 2.468 1104 N HA 0.116 4.856 4.740 -0.000 0.000 0.265 1104 N C 0.944 176.502 175.510 0.080 0.000 1.199 1104 N CA 0.848 53.940 53.050 0.070 0.000 0.928 1104 N CB 1.169 39.713 38.487 0.094 0.000 1.059 1104 N HN 0.806 nan 8.380 nan 0.000 0.467 1105 T N -1.634 112.942 114.554 0.037 0.000 3.111 1105 T HA 0.117 4.467 4.350 -0.000 0.000 0.284 1105 T C 0.534 175.180 174.700 -0.091 0.000 0.983 1105 T CA -0.135 61.963 62.100 -0.003 0.000 0.900 1105 T CB -0.765 68.111 68.868 0.014 0.000 1.132 1105 T HN 0.491 nan 8.240 nan 0.000 0.531 1106 T N 1.093 115.612 114.554 -0.059 0.000 2.868 1106 T HA 0.634 4.984 4.350 -0.000 0.000 0.292 1106 T C 0.165 174.752 174.700 -0.189 0.000 1.028 1106 T CA -0.813 61.233 62.100 -0.090 0.000 1.059 1106 T CB 0.684 69.541 68.868 -0.019 0.000 0.991 1106 T HN 0.289 nan 8.240 nan 0.000 0.531 1107 L N 2.720 123.801 121.223 -0.237 0.000 2.399 1107 L HA 0.583 4.923 4.340 -0.000 0.000 0.266 1107 L C -0.629 176.197 176.870 -0.073 0.000 1.114 1107 L CA -1.067 53.558 54.840 -0.358 0.000 0.804 1107 L CB 0.825 42.688 42.059 -0.326 0.000 1.146 1107 L HN 0.913 nan 8.230 nan 0.000 0.451 1108 Y N -1.041 119.221 120.300 -0.063 0.000 2.581 1108 Y HA 0.465 5.015 4.550 -0.000 0.000 0.337 1108 Y C 0.561 176.488 175.900 0.045 0.000 1.108 1108 Y CA -0.629 57.473 58.100 0.003 0.000 1.033 1108 Y CB 0.634 39.108 38.460 0.024 0.000 1.318 1108 Y HN 0.614 nan 8.280 nan 0.000 0.459 1109 E N 1.830 122.167 120.200 0.228 0.000 2.241 1109 E HA -0.333 4.017 4.350 -0.000 0.000 0.244 1109 E C 1.037 177.708 176.600 0.118 0.000 1.070 1109 E CA 2.928 59.412 56.400 0.140 0.000 0.998 1109 E CB -0.764 29.014 29.700 0.129 0.000 0.879 1109 E HN 0.606 nan 8.360 nan 0.000 0.501 1110 K N -0.272 120.268 120.400 0.234 0.000 2.551 1110 K HA 0.314 4.634 4.320 -0.000 0.000 0.204 1110 K C -0.047 176.549 176.600 -0.007 0.000 1.033 1110 K CA -0.379 55.989 56.287 0.135 0.000 1.187 1110 K CB -1.076 31.525 32.500 0.169 0.000 0.900 1110 K HN 0.491 nan 8.250 nan 0.000 0.499 1111 F N 0.436 120.077 119.950 -0.515 0.000 2.595 1111 F HA 0.139 4.666 4.527 -0.000 0.000 0.359 1111 F C 0.536 176.073 175.800 -0.440 0.000 1.147 1111 F CA 0.795 58.277 58.000 -0.864 0.000 1.341 1111 F CB 0.598 38.934 39.000 -1.107 0.000 1.104 1111 F HN -0.031 nan 8.300 nan 0.000 0.603 1112 T N 4.594 118.143 114.554 -1.676 0.000 2.885 1112 T HA 0.373 4.723 4.350 -0.000 0.000 0.322 1112 T C -1.528 172.424 174.700 -1.247 0.000 1.387 1112 T CA -0.523 60.908 62.100 -1.115 0.000 1.041 1112 T CB 0.390 68.982 68.868 -0.460 0.000 1.287 1112 T HN 0.505 nan 8.240 nan 0.000 0.491 1113 Y N 1.594 121.588 120.300 -0.510 0.000 2.320 1113 Y HA 0.597 5.147 4.550 -0.000 0.000 0.324 1113 Y C 1.112 176.917 175.900 -0.157 0.000 1.190 1113 Y CA -1.039 56.909 58.100 -0.252 0.000 1.215 1113 Y CB 1.231 39.665 38.460 -0.043 0.000 1.221 1113 Y HN 0.850 nan 8.280 nan 0.000 0.486 1114 A N 2.313 125.180 122.820 0.078 0.000 2.520 1114 A HA 0.356 4.676 4.320 -0.000 0.000 0.245 1114 A C 0.763 178.404 177.584 0.095 0.000 1.072 1114 A CA 0.148 52.218 52.037 0.054 0.000 0.761 1114 A CB -0.460 18.526 19.000 -0.023 0.000 1.004 1114 A HN 0.927 nan 8.150 nan 0.000 0.499 1115 G N 0.793 109.658 108.800 0.109 0.000 2.630 1115 G HA2 0.421 4.381 3.960 -0.000 0.000 0.236 1115 G HA3 0.421 4.381 3.960 -0.000 0.000 0.236 1115 G C -0.025 174.943 174.900 0.112 0.000 1.248 1115 G CA -0.189 44.971 45.100 0.101 0.000 0.844 1115 G HN 0.738 nan 8.290 nan 0.000 0.588 1116 I N 0.000 120.623 120.570 0.088 0.000 2.984 1116 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 1116 I CA 0.000 61.354 61.300 0.090 0.000 1.566 1116 I CB 0.000 38.038 38.000 0.062 0.000 1.214 1116 I HN 0.000 nan 8.210 nan 0.000 0.494