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 1u1i_1_C DATA FIRST_RESID 801 DATA SEQUENCE MKVWLVGAYG IVSTTAMVGA RAIERGIAPK IGLVSELPHF EGIEKYAPFS DATA SEQUENCE FEFGGHEIRL LSNAYEAAKE HWELNRHFDR EILEAVKSDL EGIVARKGTA DATA SEQUENCE LNCGSGIKEL GDIKTLEGEG LSLAEMVSRI EEDIKSFADD ETVVINVAST DATA SEQUENCE EPLPNYSEEY HGSLEGFERM IDEDRKEYAS ASMLYAYAAL KLGLPYANFT DATA SEQUENCE PSPGSAIPAL KELAEKKGVP HAGNDGKTGE TLVKTTLAPM FAYRNMEVVG DATA SEQUENCE WMSYNILGDY DGKVLSARDN KESKVLSKDK VLEKMLGYSP YSITEIQYFP DATA SEQUENCE SLVDNKTAFD FVHFKGFLGK LMKFYFIWDA IDAIVAAPLI LDIARFLLFA DATA SEQUENCE KKKGVKGVVK EMAFFFKSPM DTNVINTHEQ FVVLKEWYSN LK 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 801 M HA 0.000 nan 4.480 nan 0.000 0.227 801 M C 0.000 176.214 176.300 -0.144 0.000 1.140 801 M CA 0.000 55.184 55.300 -0.193 0.000 0.988 801 M CB 0.000 32.505 32.600 -0.159 0.000 1.302 802 K N 1.144 121.494 120.400 -0.083 0.000 2.270 802 K HA 0.800 5.063 4.320 -0.094 0.000 0.255 802 K C -1.385 175.324 176.600 0.181 0.000 0.936 802 K CA -1.045 55.238 56.287 -0.007 0.000 0.809 802 K CB 2.956 35.264 32.500 -0.320 0.000 1.131 802 K HN 0.466 nan 8.250 nan 0.000 0.427 803 V N 2.478 122.534 119.914 0.237 0.000 2.417 803 V HA 0.276 4.340 4.120 -0.094 0.000 0.291 803 V C -0.894 175.469 176.094 0.449 0.000 1.024 803 V CA -0.906 61.549 62.300 0.258 0.000 0.861 803 V CB 1.157 33.011 31.823 0.052 0.000 0.985 803 V HN 0.778 nan 8.190 nan 0.000 0.436 804 W N 7.136 128.579 121.300 0.239 0.000 2.294 804 W HA 0.612 5.216 4.660 -0.093 0.000 0.314 804 W C -1.645 174.928 176.519 0.089 0.000 1.044 804 W CA -0.770 56.656 57.345 0.135 0.000 1.284 804 W CB 1.388 30.975 29.460 0.211 0.000 1.231 804 W HN 0.453 nan 8.180 nan 0.000 0.419 805 L N 6.487 127.504 121.223 -0.343 0.000 2.289 805 L HA 0.350 4.634 4.340 -0.094 0.000 0.285 805 L C 0.246 176.858 176.870 -0.430 0.000 1.049 805 L CA -0.916 53.763 54.840 -0.268 0.000 0.804 805 L CB 1.516 43.460 42.059 -0.191 0.000 1.195 805 L HN 0.009 nan 8.230 nan 0.000 0.428 806 V N 2.585 122.322 119.914 -0.295 0.000 2.432 806 V HA 0.414 4.477 4.120 -0.094 0.000 0.275 806 V C 0.851 176.793 176.094 -0.253 0.000 1.043 806 V CA 0.333 62.405 62.300 -0.379 0.000 0.925 806 V CB 1.068 32.559 31.823 -0.553 0.000 0.985 806 V HN 1.010 nan 8.190 nan 0.000 0.466 807 G N 4.717 113.382 108.800 -0.225 0.000 2.324 807 G HA2 -0.140 3.764 3.960 -0.094 0.000 0.292 807 G HA3 -0.140 3.764 3.960 -0.094 0.000 0.292 807 G C 0.757 175.574 174.900 -0.138 0.000 1.079 807 G CA 0.300 45.318 45.100 -0.136 0.000 1.026 807 G HN 1.458 nan 8.290 nan 0.000 0.506 808 A N -0.646 122.014 122.820 -0.266 0.000 2.248 808 A HA 0.317 4.580 4.320 -0.094 0.000 0.210 808 A C 1.440 179.034 177.584 0.017 0.000 1.174 808 A CA 1.482 53.376 52.037 -0.238 0.000 0.750 808 A CB -0.163 18.580 19.000 -0.427 0.000 0.780 808 A HN 0.724 nan 8.150 nan 0.000 0.478 809 Y N -0.679 119.604 120.300 -0.029 0.000 2.467 809 Y HA 0.290 4.783 4.550 -0.094 0.000 0.250 809 Y C 1.623 177.645 175.900 0.203 0.000 1.155 809 Y CA -0.898 57.227 58.100 0.042 0.000 1.249 809 Y CB -0.719 37.744 38.460 0.006 0.000 1.146 809 Y HN 0.221 nan 8.280 nan 0.000 0.524 810 G N 0.212 109.185 108.800 0.289 0.000 2.667 810 G HA2 0.149 4.053 3.960 -0.094 0.000 0.250 810 G HA3 0.149 4.053 3.960 -0.094 0.000 0.250 810 G C 1.175 176.159 174.900 0.141 0.000 1.212 810 G CA -0.311 44.940 45.100 0.251 0.000 0.874 810 G HN 0.263 nan 8.290 nan 0.000 0.561 811 I N 0.305 120.710 120.570 -0.274 0.000 2.454 811 I HA -0.132 3.982 4.170 -0.094 0.000 0.254 811 I C 2.321 178.448 176.117 0.017 0.000 1.156 811 I CA 1.145 62.221 61.300 -0.373 0.000 1.433 811 I CB 0.157 37.838 38.000 -0.530 0.000 1.082 811 I HN 0.200 nan 8.210 nan 0.000 0.432 812 V N -1.074 118.858 119.914 0.029 0.000 2.725 812 V HA -0.137 3.927 4.120 -0.094 0.000 0.247 812 V C 2.478 178.570 176.094 -0.003 0.000 1.058 812 V CA 1.541 63.871 62.300 0.050 0.000 1.080 812 V CB 0.192 32.043 31.823 0.046 0.000 0.713 812 V HN 0.510 nan 8.190 nan 0.000 0.465 813 S N 0.454 116.144 115.700 -0.016 0.000 2.353 813 S HA -0.233 4.181 4.470 -0.094 0.000 0.222 813 S C 2.268 176.798 174.600 -0.117 0.000 1.035 813 S CA 2.634 60.783 58.200 -0.085 0.000 1.025 813 S CB -0.364 62.806 63.200 -0.049 0.000 0.902 813 S HN 0.840 nan 8.310 nan 0.000 0.440 814 T N -1.464 113.102 114.554 0.020 0.000 2.951 814 T HA -0.029 4.265 4.350 -0.094 0.000 0.268 814 T C 1.797 176.526 174.700 0.048 0.000 1.073 814 T CA 1.664 63.786 62.100 0.038 0.000 1.134 814 T CB -1.064 67.918 68.868 0.190 0.000 0.884 814 T HN 0.397 nan 8.240 nan 0.000 0.479 815 T N 2.221 116.863 114.554 0.147 0.000 2.746 815 T HA 0.112 4.406 4.350 -0.094 0.000 0.267 815 T C 2.471 177.146 174.700 -0.041 0.000 1.039 815 T CA 1.131 63.327 62.100 0.161 0.000 1.142 815 T CB -0.860 68.178 68.868 0.284 0.000 0.866 815 T HN 0.603 nan 8.240 nan 0.000 0.444 816 A N 2.135 124.888 122.820 -0.112 0.000 1.842 816 A HA -0.189 4.075 4.320 -0.094 0.000 0.217 816 A C 2.381 179.756 177.584 -0.349 0.000 1.206 816 A CA 2.154 54.054 52.037 -0.229 0.000 0.630 816 A CB -0.966 17.853 19.000 -0.302 0.000 0.839 816 A HN 0.466 nan 8.150 nan 0.000 0.447 817 M N -1.182 118.068 119.600 -0.583 0.000 2.073 817 M HA -0.175 4.249 4.480 -0.094 0.000 0.258 817 M C 2.181 178.306 176.300 -0.291 0.000 1.070 817 M CA 1.819 56.682 55.300 -0.729 0.000 1.103 817 M CB -0.643 31.559 32.600 -0.664 0.000 1.321 817 M HN 0.270 nan 8.290 nan 0.000 0.405 818 V N 0.337 120.107 119.914 -0.241 0.000 2.295 818 V HA -0.204 3.860 4.120 -0.094 0.000 0.246 818 V C 2.508 178.474 176.094 -0.213 0.000 1.049 818 V CA 2.348 64.495 62.300 -0.255 0.000 1.024 818 V CB -1.236 30.309 31.823 -0.462 0.000 0.648 818 V HN 0.653 nan 8.190 nan 0.000 0.447 819 G N -0.675 108.018 108.800 -0.179 0.000 2.480 819 G HA2 -0.283 3.621 3.960 -0.094 0.000 0.216 819 G HA3 -0.283 3.621 3.960 -0.094 0.000 0.216 819 G C 1.815 176.774 174.900 0.098 0.000 1.200 819 G CA 1.197 46.265 45.100 -0.054 0.000 0.782 819 G HN 0.643 nan 8.290 nan 0.000 0.554 820 A N 0.546 123.437 122.820 0.118 0.000 1.873 820 A HA -0.116 4.148 4.320 -0.094 0.000 0.218 820 A C 2.441 180.225 177.584 0.334 0.000 1.193 820 A CA 1.852 54.063 52.037 0.291 0.000 0.629 820 A CB -0.365 18.776 19.000 0.234 0.000 0.826 820 A HN 0.287 nan 8.150 nan 0.000 0.447 821 R N -0.809 119.809 120.500 0.196 0.000 2.240 821 R HA 0.137 4.420 4.340 -0.094 0.000 0.203 821 R C 2.213 178.576 176.300 0.104 0.000 1.011 821 R CA 0.925 57.119 56.100 0.156 0.000 1.007 821 R CB -0.588 29.774 30.300 0.103 0.000 0.911 821 R HN 0.551 nan 8.270 nan 0.000 0.468 822 A N 0.821 123.683 122.820 0.069 0.000 1.968 822 A HA -0.077 4.187 4.320 -0.094 0.000 0.217 822 A C 2.054 179.679 177.584 0.068 0.000 1.169 822 A CA 0.968 53.020 52.037 0.025 0.000 0.638 822 A CB -0.142 18.833 19.000 -0.042 0.000 0.812 822 A HN 0.110 nan 8.150 nan 0.000 0.446 823 I N -0.554 120.105 120.570 0.148 0.000 2.339 823 I HA -0.123 3.991 4.170 -0.094 0.000 0.245 823 I C 2.325 178.541 176.117 0.166 0.000 1.096 823 I CA 0.923 62.297 61.300 0.122 0.000 1.408 823 I CB -0.257 37.779 38.000 0.059 0.000 1.092 823 I HN 0.301 nan 8.210 nan 0.000 0.423 824 E N 0.807 121.182 120.200 0.292 0.000 2.130 824 E HA -0.239 4.055 4.350 -0.094 0.000 0.196 824 E C 1.743 178.415 176.600 0.120 0.000 0.998 824 E CA 1.076 57.614 56.400 0.231 0.000 0.806 824 E CB -0.163 29.668 29.700 0.218 0.000 0.738 824 E HN 0.450 nan 8.360 nan 0.000 0.459 825 R N -0.089 120.467 120.500 0.093 0.000 2.346 825 R HA 0.054 4.338 4.340 -0.094 0.000 0.225 825 R C 0.911 177.233 176.300 0.037 0.000 0.987 825 R CA 0.429 56.560 56.100 0.051 0.000 1.106 825 R CB 0.068 30.389 30.300 0.034 0.000 1.090 825 R HN 0.172 nan 8.270 nan 0.000 0.502 826 G N 1.659 110.485 108.800 0.043 0.000 2.361 826 G HA2 -0.250 3.654 3.960 -0.094 0.000 0.294 826 G HA3 -0.250 3.654 3.960 -0.094 0.000 0.294 826 G C 0.672 175.580 174.900 0.013 0.000 1.004 826 G CA 0.131 45.245 45.100 0.023 0.000 0.870 826 G HN 0.268 nan 8.290 nan 0.000 0.510 827 I N 0.049 120.628 120.570 0.015 0.000 2.729 827 I HA 0.363 4.477 4.170 -0.094 0.000 0.256 827 I C 1.921 178.039 176.117 0.003 0.000 1.115 827 I CA 1.142 62.446 61.300 0.006 0.000 1.446 827 I CB -0.690 37.310 38.000 -0.000 0.000 1.176 827 I HN 0.420 nan 8.210 nan 0.000 0.446 828 A N 2.103 124.925 122.820 0.003 0.000 2.312 828 A HA 0.651 4.915 4.320 -0.094 0.000 0.326 828 A C -2.366 175.210 177.584 -0.014 0.000 1.172 828 A CA -1.151 50.885 52.037 -0.002 0.000 0.821 828 A CB 0.126 19.125 19.000 -0.002 0.000 1.166 828 A HN -0.009 nan 8.150 nan 0.000 0.493 829 P HA 0.253 nan 4.420 nan 0.000 0.274 829 P C -0.348 176.923 177.300 -0.048 0.000 1.256 829 P CA -0.245 62.839 63.100 -0.027 0.000 0.795 829 P CB 0.483 32.177 31.700 -0.009 0.000 1.038 830 K N 0.734 121.091 120.400 -0.071 0.000 2.681 830 K HA 0.267 4.531 4.320 -0.094 0.000 0.211 830 K C 0.275 176.857 176.600 -0.030 0.000 1.075 830 K CA -0.163 56.061 56.287 -0.106 0.000 1.141 830 K CB -0.256 32.124 32.500 -0.199 0.000 0.896 830 K HN 0.410 nan 8.250 nan 0.000 0.470 831 I N 0.508 121.080 120.570 0.004 0.000 2.775 831 I HA -0.091 4.023 4.170 -0.094 0.000 0.290 831 I C 1.322 177.476 176.117 0.063 0.000 1.203 831 I CA 0.990 62.311 61.300 0.036 0.000 1.433 831 I CB -0.141 37.881 38.000 0.037 0.000 1.354 831 I HN 0.551 nan 8.210 nan 0.000 0.579 832 G N 5.197 114.051 108.800 0.089 0.000 2.284 832 G HA2 -0.239 3.665 3.960 -0.094 0.000 0.230 832 G HA3 -0.239 3.665 3.960 -0.094 0.000 0.230 832 G C 0.237 175.234 174.900 0.161 0.000 1.021 832 G CA -0.475 44.699 45.100 0.124 0.000 0.619 832 G HN 0.517 nan 8.290 nan 0.000 0.510 833 L N 2.124 123.429 121.223 0.137 0.000 2.456 833 L HA 0.243 4.527 4.340 -0.094 0.000 0.277 833 L C 2.056 179.054 176.870 0.213 0.000 1.124 833 L CA -0.421 54.519 54.840 0.166 0.000 0.880 833 L CB 1.242 43.359 42.059 0.096 0.000 1.192 833 L HN 0.052 nan 8.230 nan 0.000 0.463 834 V N 1.942 122.042 119.914 0.310 0.000 2.548 834 V HA -0.218 3.846 4.120 -0.094 0.000 0.249 834 V C 2.235 178.539 176.094 0.349 0.000 1.055 834 V CA 1.954 64.494 62.300 0.399 0.000 1.065 834 V CB -0.043 32.130 31.823 0.584 0.000 0.681 834 V HN 1.006 nan 8.190 nan 0.000 0.462 835 S N -0.169 115.661 115.700 0.216 0.000 2.469 835 S HA -0.120 4.294 4.470 -0.094 0.000 0.238 835 S C 1.429 176.063 174.600 0.057 0.000 0.998 835 S CA 0.930 59.089 58.200 -0.069 0.000 0.957 835 S CB -0.236 62.839 63.200 -0.209 0.000 0.764 835 S HN 0.657 nan 8.310 nan 0.000 0.514 836 E N 0.749 121.030 120.200 0.136 0.000 2.463 836 E HA 0.317 4.611 4.350 -0.094 0.000 0.193 836 E C 0.048 176.747 176.600 0.166 0.000 1.041 836 E CA -0.189 56.276 56.400 0.108 0.000 0.879 836 E CB 0.042 29.764 29.700 0.037 0.000 0.997 836 E HN 0.555 nan 8.360 nan 0.000 0.478 837 L N 1.615 123.017 121.223 0.298 0.000 2.461 837 L HA 0.034 4.317 4.340 -0.094 0.000 0.272 837 L C -1.208 175.769 176.870 0.179 0.000 1.197 837 L CA -1.222 53.783 54.840 0.275 0.000 0.836 837 L CB 0.254 42.565 42.059 0.419 0.000 1.105 837 L HN -0.160 nan 8.230 nan 0.000 0.477 838 P HA -0.173 nan 4.420 nan 0.000 0.223 838 P C 1.025 178.319 177.300 -0.009 0.000 1.144 838 P CA 1.155 64.283 63.100 0.046 0.000 0.783 838 P CB 0.067 31.791 31.700 0.041 0.000 0.771 839 H N -1.567 117.375 119.070 -0.214 0.000 2.502 839 H HA 0.056 4.556 4.556 -0.093 0.000 0.283 839 H C 0.750 175.747 175.328 -0.552 0.000 1.015 839 H CA 0.943 56.727 56.048 -0.440 0.000 1.298 839 H CB -0.404 28.923 29.762 -0.726 0.000 1.411 839 H HN 0.044 nan 8.280 nan 0.000 0.556 840 F N 1.171 121.025 119.950 -0.161 0.000 2.647 840 F HA 0.221 4.691 4.527 -0.095 0.000 0.300 840 F C 0.212 175.856 175.800 -0.260 0.000 1.106 840 F CA -0.595 57.103 58.000 -0.504 0.000 1.313 840 F CB -0.131 38.563 39.000 -0.510 0.000 1.007 840 F HN 0.093 nan 8.300 nan 0.000 0.536 841 E N -0.009 120.196 120.200 0.008 0.000 2.437 841 E HA 0.361 4.655 4.350 -0.094 0.000 0.263 841 E C 1.405 178.075 176.600 0.117 0.000 1.030 841 E CA 0.767 57.199 56.400 0.052 0.000 0.934 841 E CB 0.229 29.946 29.700 0.029 0.000 0.943 841 E HN 0.339 nan 8.360 nan 0.000 0.444 842 G N 1.957 110.819 108.800 0.102 0.000 2.213 842 G HA2 -0.329 3.574 3.960 -0.094 0.000 0.236 842 G HA3 -0.329 3.574 3.960 -0.094 0.000 0.236 842 G C 0.781 175.774 174.900 0.155 0.000 0.991 842 G CA 0.153 45.324 45.100 0.118 0.000 0.629 842 G HN 0.617 nan 8.290 nan 0.000 0.517 843 I N 1.248 121.935 120.570 0.195 0.000 2.850 843 I HA 0.084 4.198 4.170 -0.094 0.000 0.266 843 I C 2.106 178.297 176.117 0.122 0.000 1.257 843 I CA 2.075 63.514 61.300 0.232 0.000 1.465 843 I CB 0.012 38.016 38.000 0.006 0.000 1.091 843 I HN 0.437 nan 8.210 nan 0.000 0.467 844 E N 0.663 120.876 120.200 0.022 0.000 2.204 844 E HA -0.233 4.061 4.350 -0.094 0.000 0.194 844 E C 1.946 178.483 176.600 -0.104 0.000 0.989 844 E CA 0.668 57.055 56.400 -0.021 0.000 0.824 844 E CB 0.081 29.770 29.700 -0.018 0.000 0.756 844 E HN 0.483 nan 8.360 nan 0.000 0.477 845 K N -0.345 119.901 120.400 -0.257 0.000 2.097 845 K HA -0.169 4.095 4.320 -0.094 0.000 0.206 845 K C 1.568 177.879 176.600 -0.482 0.000 1.049 845 K CA 1.466 57.466 56.287 -0.478 0.000 0.933 845 K CB 0.020 32.035 32.500 -0.808 0.000 0.717 845 K HN 0.322 nan 8.250 nan 0.000 0.442 846 Y N -1.828 118.545 120.300 0.122 0.000 2.558 846 Y HA 0.313 4.807 4.550 -0.094 0.000 0.273 846 Y C 0.873 176.831 175.900 0.096 0.000 1.100 846 Y CA -0.181 57.989 58.100 0.118 0.000 1.276 846 Y CB 0.565 39.141 38.460 0.194 0.000 1.196 846 Y HN -0.123 nan 8.280 nan 0.000 0.527 847 A N 1.105 124.058 122.820 0.221 0.000 3.297 847 A HA 0.488 4.752 4.320 -0.094 0.000 0.304 847 A C -2.852 174.725 177.584 -0.011 0.000 0.963 847 A CA -1.463 50.632 52.037 0.097 0.000 0.935 847 A CB -0.384 18.700 19.000 0.139 0.000 1.093 847 A HN -0.109 nan 8.150 nan 0.000 0.480 848 P HA 0.009 nan 4.420 nan 0.000 0.269 848 P C -0.272 176.943 177.300 -0.142 0.000 1.217 848 P CA 0.134 63.191 63.100 -0.072 0.000 0.783 848 P CB 0.300 31.944 31.700 -0.094 0.000 0.898 849 F N 1.875 121.713 119.950 -0.187 0.000 2.567 849 F HA 0.344 4.815 4.527 -0.094 0.000 0.352 849 F C 0.124 175.728 175.800 -0.328 0.000 1.229 849 F CA 0.433 58.289 58.000 -0.239 0.000 1.228 849 F CB -0.249 38.739 39.000 -0.020 0.000 1.568 849 F HN 0.056 nan 8.300 nan 0.000 0.634 850 S N 5.309 120.470 115.700 -0.899 0.000 2.614 850 S HA 0.676 5.090 4.470 -0.094 0.000 0.275 850 S C -1.187 172.798 174.600 -1.024 0.000 1.161 850 S CA -0.362 57.433 58.200 -0.675 0.000 0.969 850 S CB 0.487 63.493 63.200 -0.324 0.000 1.059 850 S HN 0.354 nan 8.310 nan 0.000 0.482 851 F N 1.887 121.660 119.950 -0.294 0.000 2.576 851 F HA 0.583 5.055 4.527 -0.093 0.000 0.313 851 F C 0.330 175.912 175.800 -0.363 0.000 1.078 851 F CA -0.651 57.092 58.000 -0.429 0.000 0.921 851 F CB 2.073 40.740 39.000 -0.554 0.000 1.232 851 F HN 0.389 nan 8.300 nan 0.000 0.459 852 E N 2.535 122.571 120.200 -0.273 0.000 2.265 852 E HA 0.371 4.665 4.350 -0.094 0.000 0.262 852 E C -1.585 174.977 176.600 -0.064 0.000 0.889 852 E CA -0.456 55.900 56.400 -0.073 0.000 0.789 852 E CB 2.235 31.967 29.700 0.053 0.000 1.221 852 E HN 0.360 nan 8.360 nan 0.000 0.414 853 F N 0.662 120.779 119.950 0.278 0.000 2.541 853 F HA 0.820 5.291 4.527 -0.093 0.000 0.331 853 F C 1.053 176.761 175.800 -0.153 0.000 1.057 853 F CA -0.331 57.729 58.000 0.100 0.000 0.975 853 F CB 2.176 41.175 39.000 -0.002 0.000 1.246 853 F HN 0.534 nan 8.300 nan 0.000 0.484 854 G N -0.796 107.853 108.800 -0.252 0.000 2.340 854 G HA2 0.563 4.467 3.960 -0.094 0.000 0.299 854 G HA3 0.563 4.467 3.960 -0.094 0.000 0.299 854 G C -1.004 173.212 174.900 -1.140 0.000 1.291 854 G CA -0.041 44.668 45.100 -0.652 0.000 0.841 854 G HN 1.317 nan 8.290 nan 0.000 0.500 855 G N -1.874 105.777 108.800 -1.916 0.000 2.369 855 G HA2 0.510 4.414 3.960 -0.094 0.000 0.293 855 G HA3 0.510 4.414 3.960 -0.094 0.000 0.293 855 G C -1.402 172.775 174.900 -1.204 0.000 1.301 855 G CA -0.468 43.233 45.100 -2.331 0.000 0.913 855 G HN 1.006 nan 8.290 nan 0.000 0.540 856 H N -0.112 118.543 119.070 -0.692 0.000 2.499 856 H HA 0.816 5.316 4.556 -0.094 0.000 0.352 856 H C 0.187 175.321 175.328 -0.322 0.000 1.237 856 H CA 0.563 56.466 56.048 -0.241 0.000 1.343 856 H CB 1.859 31.689 29.762 0.114 0.000 1.578 856 H HN 0.825 nan 8.280 nan 0.000 0.577 857 E N 0.186 120.335 120.200 -0.084 0.000 2.389 857 E HA 0.147 4.441 4.350 -0.094 0.000 0.281 857 E C -1.159 175.410 176.600 -0.050 0.000 1.111 857 E CA -0.438 55.858 56.400 -0.175 0.000 0.869 857 E CB 0.508 29.892 29.700 -0.526 0.000 1.259 857 E HN 0.560 nan 8.360 nan 0.000 0.434 858 I N -0.583 119.973 120.570 -0.023 0.000 4.338 858 I HA 0.519 4.633 4.170 -0.094 0.000 0.329 858 I C 0.234 176.360 176.117 0.014 0.000 1.378 858 I CA -0.416 60.893 61.300 0.015 0.000 1.170 858 I CB 0.449 38.469 38.000 0.034 0.000 1.206 858 I HN 0.214 nan 8.210 nan 0.000 0.432 859 R N 1.796 122.313 120.500 0.029 0.000 2.254 859 R HA 0.492 4.776 4.340 -0.094 0.000 0.318 859 R C -0.728 175.663 176.300 0.151 0.000 1.031 859 R CA -0.637 55.502 56.100 0.064 0.000 0.905 859 R CB 1.229 31.563 30.300 0.056 0.000 1.050 859 R HN 0.245 nan 8.270 nan 0.000 0.456 860 L N 6.134 127.407 121.223 0.084 0.000 2.536 860 L HA 0.173 4.457 4.340 -0.094 0.000 0.282 860 L C -0.863 176.045 176.870 0.063 0.000 1.174 860 L CA 0.671 55.560 54.840 0.083 0.000 0.989 860 L CB -0.024 42.060 42.059 0.042 0.000 1.311 860 L HN 0.517 nan 8.230 nan 0.000 0.455 861 L N 0.593 121.875 121.223 0.099 0.000 2.257 861 L HA 0.489 4.772 4.340 -0.094 0.000 0.257 861 L C 1.226 178.090 176.870 -0.009 0.000 1.033 861 L CA -0.094 54.709 54.840 -0.061 0.000 0.835 861 L CB 1.935 43.766 42.059 -0.381 0.000 1.398 861 L HN 0.266 nan 8.230 nan 0.000 0.429 862 S N -0.208 115.454 115.700 -0.064 0.000 2.343 862 S HA -0.049 4.365 4.470 -0.094 0.000 0.212 862 S C 0.445 175.066 174.600 0.035 0.000 1.033 862 S CA 1.677 59.875 58.200 -0.003 0.000 1.004 862 S CB -0.237 62.958 63.200 -0.008 0.000 0.977 862 S HN 0.854 nan 8.310 nan 0.000 0.427 863 N N -0.406 118.282 118.700 -0.019 0.000 3.470 863 N HA 0.651 5.334 4.740 -0.094 0.000 0.361 863 N C 0.319 175.808 175.510 -0.036 0.000 1.536 863 N CA -0.061 53.023 53.050 0.056 0.000 0.642 863 N CB -0.095 38.436 38.487 0.073 0.000 2.002 863 N HN 0.161 nan 8.380 nan 0.000 0.620 864 A N -2.037 120.823 122.820 0.066 0.000 2.115 864 A HA 0.095 4.359 4.320 -0.094 0.000 0.211 864 A C 1.558 179.131 177.584 -0.019 0.000 1.169 864 A CA 0.180 52.246 52.037 0.049 0.000 0.787 864 A CB -1.004 18.076 19.000 0.134 0.000 0.858 864 A HN 0.640 nan 8.150 nan 0.000 0.474 865 Y N 0.807 121.059 120.300 -0.081 0.000 2.243 865 Y HA -0.024 4.470 4.550 -0.093 0.000 0.293 865 Y C 1.872 177.714 175.900 -0.098 0.000 1.124 865 Y CA 1.734 59.789 58.100 -0.076 0.000 1.159 865 Y CB 0.058 38.480 38.460 -0.063 0.000 1.008 865 Y HN 0.236 nan 8.280 nan 0.000 0.527 866 E N 0.454 120.429 120.200 -0.375 0.000 2.338 866 E HA -0.081 4.213 4.350 -0.094 0.000 0.197 866 E C 2.075 178.415 176.600 -0.432 0.000 1.007 866 E CA 0.870 56.990 56.400 -0.466 0.000 0.849 866 E CB -0.173 29.390 29.700 -0.228 0.000 0.774 866 E HN 0.625 nan 8.360 nan 0.000 0.506 867 A N 0.427 122.976 122.820 -0.452 0.000 2.030 867 A HA 0.244 4.508 4.320 -0.094 0.000 0.215 867 A C 2.217 179.647 177.584 -0.257 0.000 1.164 867 A CA 0.986 52.750 52.037 -0.455 0.000 0.697 867 A CB 0.067 18.626 19.000 -0.734 0.000 0.827 867 A HN 0.210 nan 8.150 nan 0.000 0.457 868 A N 0.526 123.245 122.820 -0.169 0.000 1.975 868 A HA -0.003 4.261 4.320 -0.094 0.000 0.215 868 A C 2.056 179.659 177.584 0.032 0.000 1.170 868 A CA 1.527 53.584 52.037 0.034 0.000 0.656 868 A CB -0.314 18.724 19.000 0.062 0.000 0.821 868 A HN 0.525 nan 8.150 nan 0.000 0.449 869 K N 0.478 120.717 120.400 -0.268 0.000 2.155 869 K HA -0.154 4.110 4.320 -0.094 0.000 0.203 869 K C 1.818 178.424 176.600 0.009 0.000 1.052 869 K CA 1.523 57.696 56.287 -0.190 0.000 0.948 869 K CB -0.199 31.972 32.500 -0.549 0.000 0.728 869 K HN 0.547 nan 8.250 nan 0.000 0.448 870 E N 0.673 120.794 120.200 -0.133 0.000 2.012 870 E HA -0.266 4.028 4.350 -0.094 0.000 0.197 870 E C 1.690 178.261 176.600 -0.048 0.000 1.007 870 E CA 1.915 58.236 56.400 -0.132 0.000 0.816 870 E CB -0.285 29.246 29.700 -0.282 0.000 0.762 870 E HN 0.588 nan 8.360 nan 0.000 0.451 871 H N -1.819 117.288 119.070 0.061 0.000 2.489 871 H HA -0.131 4.370 4.556 -0.093 0.000 0.295 871 H C 1.439 176.762 175.328 -0.008 0.000 1.082 871 H CA 1.104 57.149 56.048 -0.006 0.000 1.295 871 H CB -0.167 29.606 29.762 0.019 0.000 1.380 871 H HN 0.430 nan 8.280 nan 0.000 0.548 872 W N 2.118 123.451 121.300 0.054 0.000 2.418 872 W HA -0.093 4.512 4.660 -0.091 0.000 0.292 872 W C 1.786 178.288 176.519 -0.028 0.000 1.213 872 W CA 0.760 58.116 57.345 0.017 0.000 1.283 872 W CB 0.300 29.834 29.460 0.123 0.000 1.119 872 W HN 0.060 nan 8.180 nan 0.000 0.542 873 E N 0.676 120.954 120.200 0.130 0.000 2.085 873 E HA -0.238 4.055 4.350 -0.094 0.000 0.194 873 E C 2.201 178.663 176.600 -0.230 0.000 0.994 873 E CA 1.664 58.011 56.400 -0.089 0.000 0.801 873 E CB -1.022 28.711 29.700 0.055 0.000 0.743 873 E HN 0.426 nan 8.360 nan 0.000 0.453 874 L N 0.933 122.059 121.223 -0.161 0.000 2.027 874 L HA -0.142 4.142 4.340 -0.094 0.000 0.206 874 L C 2.038 178.758 176.870 -0.249 0.000 1.074 874 L CA 1.180 55.913 54.840 -0.178 0.000 0.745 874 L CB -0.308 41.667 42.059 -0.141 0.000 0.898 874 L HN 0.137 nan 8.230 nan 0.000 0.433 875 N N -0.690 117.819 118.700 -0.318 0.000 2.463 875 N HA 0.044 4.728 4.740 -0.094 0.000 0.183 875 N C -0.115 175.127 175.510 -0.447 0.000 1.064 875 N CA -0.066 52.769 53.050 -0.358 0.000 0.879 875 N CB 0.536 38.765 38.487 -0.429 0.000 1.148 875 N HN 0.106 nan 8.380 nan 0.000 0.451 876 R N 1.258 121.352 120.500 -0.676 0.000 3.336 876 R HA -0.156 4.128 4.340 -0.094 0.000 0.260 876 R C 0.086 176.143 176.300 -0.405 0.000 1.032 876 R CA 0.689 56.213 56.100 -0.960 0.000 0.693 876 R CB -3.112 26.660 30.300 -0.881 0.000 1.134 876 R HN 0.740 nan 8.270 nan 0.000 0.433 877 H N -1.225 117.473 119.070 -0.620 0.000 2.556 877 H HA 0.253 4.753 4.556 -0.094 0.000 0.268 877 H C 0.369 175.519 175.328 -0.298 0.000 0.996 877 H CA 0.241 56.022 56.048 -0.444 0.000 1.157 877 H CB -0.065 29.455 29.762 -0.404 0.000 1.355 877 H HN 0.401 nan 8.280 nan 0.000 0.597 878 F N -0.970 119.118 119.950 0.230 0.000 2.641 878 F HA 0.302 4.774 4.527 -0.092 0.000 0.308 878 F C -1.013 175.011 175.800 0.374 0.000 1.105 878 F CA -1.844 56.268 58.000 0.186 0.000 0.964 878 F CB 1.074 40.099 39.000 0.041 0.000 1.294 878 F HN -0.189 nan 8.300 nan 0.000 0.442 879 D N 1.437 122.112 120.400 0.458 0.000 2.478 879 D HA 0.015 4.599 4.640 -0.094 0.000 0.234 879 D C 1.260 177.769 176.300 0.349 0.000 1.154 879 D CA -0.005 54.216 54.000 0.367 0.000 0.874 879 D CB 0.992 41.914 40.800 0.203 0.000 1.198 879 D HN 0.881 nan 8.370 nan 0.000 0.455 880 R N 1.267 121.951 120.500 0.308 0.000 2.193 880 R HA -0.180 4.104 4.340 -0.094 0.000 0.229 880 R C 1.191 177.465 176.300 -0.044 0.000 1.110 880 R CA 1.361 57.473 56.100 0.021 0.000 0.988 880 R CB -0.376 29.974 30.300 0.082 0.000 0.871 880 R HN 0.470 nan 8.270 nan 0.000 0.458 881 E N 1.186 121.402 120.200 0.026 0.000 2.106 881 E HA -0.126 4.168 4.350 -0.094 0.000 0.192 881 E C 1.774 178.351 176.600 -0.037 0.000 0.984 881 E CA 1.299 57.695 56.400 -0.005 0.000 0.806 881 E CB -0.301 29.410 29.700 0.019 0.000 0.750 881 E HN 0.363 nan 8.360 nan 0.000 0.458 882 I N 0.460 121.010 120.570 -0.033 0.000 2.546 882 I HA -0.163 3.951 4.170 -0.094 0.000 0.255 882 I C 2.039 178.067 176.117 -0.149 0.000 1.163 882 I CA 0.493 61.740 61.300 -0.088 0.000 1.457 882 I CB 0.031 37.964 38.000 -0.110 0.000 1.092 882 I HN 0.095 nan 8.210 nan 0.000 0.434 883 L N 0.429 121.556 121.223 -0.159 0.000 2.084 883 L HA -0.070 4.214 4.340 -0.094 0.000 0.202 883 L C 2.352 179.149 176.870 -0.121 0.000 1.074 883 L CA 1.702 56.444 54.840 -0.164 0.000 0.757 883 L CB -0.497 41.407 42.059 -0.258 0.000 0.918 883 L HN 0.137 nan 8.230 nan 0.000 0.444 884 E N -0.138 119.979 120.200 -0.138 0.000 2.070 884 E HA -0.273 4.021 4.350 -0.094 0.000 0.197 884 E C 2.161 178.672 176.600 -0.149 0.000 1.004 884 E CA 1.560 57.874 56.400 -0.143 0.000 0.805 884 E CB -0.464 29.171 29.700 -0.109 0.000 0.744 884 E HN 0.610 nan 8.360 nan 0.000 0.451 885 A N 0.701 123.455 122.820 -0.110 0.000 1.902 885 A HA -0.117 4.147 4.320 -0.094 0.000 0.217 885 A C 2.231 179.759 177.584 -0.094 0.000 1.181 885 A CA 1.226 53.210 52.037 -0.089 0.000 0.623 885 A CB -0.244 18.718 19.000 -0.063 0.000 0.818 885 A HN 0.153 nan 8.150 nan 0.000 0.443 886 V N 0.586 120.437 119.914 -0.104 0.000 3.577 886 V HA -0.018 4.046 4.120 -0.094 0.000 0.294 886 V C 1.968 177.989 176.094 -0.122 0.000 1.317 886 V CA 1.122 63.368 62.300 -0.090 0.000 1.169 886 V CB -0.619 31.151 31.823 -0.087 0.000 1.011 886 V HN 0.730 nan 8.190 nan 0.000 0.426 887 K N 0.749 121.018 120.400 -0.219 0.000 2.147 887 K HA -0.152 4.112 4.320 -0.094 0.000 0.205 887 K C 2.054 178.421 176.600 -0.387 0.000 1.049 887 K CA 1.907 57.901 56.287 -0.487 0.000 0.936 887 K CB -0.062 31.995 32.500 -0.738 0.000 0.722 887 K HN 0.442 nan 8.250 nan 0.000 0.446 888 S N 1.606 117.171 115.700 -0.225 0.000 2.338 888 S HA -0.117 4.297 4.470 -0.094 0.000 0.218 888 S C 1.284 175.844 174.600 -0.067 0.000 1.032 888 S CA 1.567 59.684 58.200 -0.139 0.000 0.999 888 S CB -0.485 62.659 63.200 -0.094 0.000 0.905 888 S HN 0.435 nan 8.310 nan 0.000 0.439 889 D N 1.770 122.149 120.400 -0.036 0.000 2.172 889 D HA -0.114 4.470 4.640 -0.094 0.000 0.196 889 D C 1.560 177.885 176.300 0.042 0.000 0.999 889 D CA 1.001 55.012 54.000 0.018 0.000 0.856 889 D CB -0.318 40.503 40.800 0.035 0.000 0.934 889 D HN 0.317 nan 8.370 nan 0.000 0.453 890 L N -0.047 121.194 121.223 0.029 0.000 2.509 890 L HA 0.095 4.379 4.340 -0.094 0.000 0.222 890 L C 1.998 178.918 176.870 0.083 0.000 1.123 890 L CA 0.353 55.234 54.840 0.069 0.000 0.856 890 L CB -0.224 41.891 42.059 0.094 0.000 0.985 890 L HN -0.010 nan 8.230 nan 0.000 0.456 891 E N 0.752 120.975 120.200 0.037 0.000 2.265 891 E HA -0.136 4.158 4.350 -0.094 0.000 0.196 891 E C 2.099 178.732 176.600 0.056 0.000 0.996 891 E CA 0.980 57.408 56.400 0.047 0.000 0.832 891 E CB 0.046 29.736 29.700 -0.016 0.000 0.756 891 E HN 0.483 nan 8.360 nan 0.000 0.491 892 G N 0.371 109.204 108.800 0.056 0.000 2.551 892 G HA2 -0.023 3.881 3.960 -0.094 0.000 0.216 892 G HA3 -0.023 3.881 3.960 -0.094 0.000 0.216 892 G C 0.722 175.672 174.900 0.083 0.000 1.137 892 G CA -0.272 44.868 45.100 0.067 0.000 0.798 892 G HN 0.083 nan 8.290 nan 0.000 0.536 893 I N 2.073 122.699 120.570 0.093 0.000 2.505 893 I HA 0.154 4.268 4.170 -0.094 0.000 0.287 893 I C -0.648 175.528 176.117 0.097 0.000 1.104 893 I CA 0.070 61.424 61.300 0.090 0.000 1.387 893 I CB 1.181 39.239 38.000 0.095 0.000 1.404 893 I HN -0.227 nan 8.210 nan 0.000 0.528 894 V N 6.643 126.594 119.914 0.062 0.000 2.445 894 V HA 0.394 4.458 4.120 -0.094 0.000 0.283 894 V C 0.553 176.628 176.094 -0.031 0.000 1.014 894 V CA -0.783 61.565 62.300 0.081 0.000 0.852 894 V CB 1.238 33.105 31.823 0.073 0.000 1.021 894 V HN 0.873 nan 8.190 nan 0.000 0.435 895 A N 5.386 128.135 122.820 -0.119 0.000 2.475 895 A HA 0.613 4.877 4.320 -0.094 0.000 0.239 895 A C 0.395 177.837 177.584 -0.237 0.000 1.087 895 A CA 0.211 52.021 52.037 -0.379 0.000 0.779 895 A CB 0.378 18.893 19.000 -0.808 0.000 1.036 895 A HN 0.828 nan 8.150 nan 0.000 0.506 896 R N -0.352 119.980 120.500 -0.280 0.000 2.832 896 R HA 0.354 4.637 4.340 -0.094 0.000 0.271 896 R C -0.336 175.901 176.300 -0.105 0.000 0.996 896 R CA -0.917 55.090 56.100 -0.155 0.000 0.977 896 R CB 1.498 31.720 30.300 -0.131 0.000 1.168 896 R HN 0.783 nan 8.270 nan 0.000 0.482 897 K N 1.013 121.411 120.400 -0.003 0.000 2.430 897 K HA 0.034 4.298 4.320 -0.094 0.000 0.280 897 K C -0.134 176.583 176.600 0.194 0.000 1.063 897 K CA 0.224 56.551 56.287 0.066 0.000 1.071 897 K CB 0.327 32.865 32.500 0.064 0.000 0.899 897 K HN 0.742 nan 8.250 nan 0.000 0.473 898 G N 1.915 110.866 108.800 0.251 0.000 2.857 898 G HA2 0.273 4.177 3.960 -0.094 0.000 0.217 898 G HA3 0.273 4.177 3.960 -0.094 0.000 0.217 898 G C -0.858 174.160 174.900 0.195 0.000 1.357 898 G CA -0.407 44.937 45.100 0.407 0.000 1.033 898 G HN 0.553 nan 8.290 nan 0.000 0.571 899 T N -1.714 112.925 114.554 0.141 0.000 2.908 899 T HA 0.579 4.873 4.350 -0.094 0.000 0.290 899 T C -0.603 174.143 174.700 0.077 0.000 1.034 899 T CA 0.126 62.247 62.100 0.035 0.000 1.010 899 T CB 1.515 70.321 68.868 -0.103 0.000 1.068 899 T HN 1.260 nan 8.240 nan 0.000 0.481 900 A N 4.205 127.053 122.820 0.046 0.000 3.410 900 A HA 0.509 4.773 4.320 -0.094 0.000 0.276 900 A C -0.941 176.660 177.584 0.028 0.000 0.995 900 A CA -0.440 51.631 52.037 0.057 0.000 0.934 900 A CB 0.009 19.041 19.000 0.054 0.000 1.191 900 A HN 0.582 nan 8.150 nan 0.000 0.511 901 L N 1.663 122.895 121.223 0.014 0.000 2.283 901 L HA 0.394 4.678 4.340 -0.094 0.000 0.287 901 L C -0.313 176.566 176.870 0.017 0.000 1.073 901 L CA 0.284 55.125 54.840 0.001 0.000 0.822 901 L CB -0.730 41.316 42.059 -0.021 0.000 1.186 901 L HN 0.601 nan 8.230 nan 0.000 0.436 902 N N 2.917 121.624 118.700 0.011 0.000 2.568 902 N HA -0.208 4.476 4.740 -0.094 0.000 0.277 902 N C -0.204 175.323 175.510 0.029 0.000 1.200 902 N CA 0.636 53.695 53.050 0.015 0.000 0.702 902 N CB -1.315 37.180 38.487 0.015 0.000 0.889 902 N HN 0.655 nan 8.380 nan 0.000 0.546 903 C N 0.638 119.955 119.300 0.028 0.000 3.144 903 C HA 0.555 4.959 4.460 -0.094 0.000 0.253 903 C C 1.061 176.066 174.990 0.025 0.000 2.010 903 C CA 0.451 59.490 59.018 0.036 0.000 1.698 903 C CB -0.576 27.193 27.740 0.048 0.000 3.346 903 C HN 1.042 nan 8.230 nan 0.000 0.449 904 G N 0.865 109.675 108.800 0.017 0.000 2.716 904 G HA2 -0.131 3.773 3.960 -0.094 0.000 0.686 904 G HA3 -0.131 3.773 3.960 -0.094 0.000 0.686 904 G C 0.268 175.171 174.900 0.005 0.000 1.337 904 G CA 0.019 45.125 45.100 0.010 0.000 0.829 904 G HN 0.324 nan 8.290 nan 0.000 0.599 905 S N 0.453 116.153 115.700 0.000 0.000 2.743 905 S HA 0.323 4.737 4.470 -0.094 0.000 0.230 905 S C 1.899 176.493 174.600 -0.009 0.000 0.950 905 S CA 1.016 59.214 58.200 -0.004 0.000 0.976 905 S CB -0.204 62.994 63.200 -0.005 0.000 0.779 905 S HN 1.597 nan 8.310 nan 0.000 0.487 906 G N 1.057 109.852 108.800 -0.009 0.000 3.314 906 G HA2 0.265 4.168 3.960 -0.094 0.000 0.238 906 G HA3 0.265 4.168 3.960 -0.094 0.000 0.238 906 G C 0.219 175.110 174.900 -0.014 0.000 1.184 906 G CA -0.178 44.911 45.100 -0.018 0.000 0.806 906 G HN 0.470 nan 8.290 nan 0.000 0.536 907 I N 0.285 120.850 120.570 -0.008 0.000 2.339 907 I HA 0.484 4.598 4.170 -0.094 0.000 0.290 907 I C -0.307 175.805 176.117 -0.008 0.000 0.994 907 I CA -0.553 60.744 61.300 -0.006 0.000 1.191 907 I CB 1.695 39.695 38.000 0.000 0.000 1.343 907 I HN -0.160 nan 8.210 nan 0.000 0.458 908 K N 5.726 126.121 120.400 -0.008 0.000 2.335 908 K HA 0.149 4.413 4.320 -0.094 0.000 0.365 908 K C -0.829 175.774 176.600 0.005 0.000 1.490 908 K CA -0.079 56.205 56.287 -0.004 0.000 1.129 908 K CB 1.062 33.559 32.500 -0.005 0.000 1.406 908 K HN 0.629 nan 8.250 nan 0.000 0.487 909 E N 2.571 122.771 120.200 0.000 0.000 2.422 909 E HA 0.076 4.370 4.350 -0.094 0.000 0.146 909 E C -1.152 175.446 176.600 -0.004 0.000 0.861 909 E CA -0.035 56.373 56.400 0.013 0.000 1.354 909 E CB 0.782 30.492 29.700 0.016 0.000 1.294 909 E HN 0.270 nan 8.360 nan 0.000 0.586 910 L N 0.803 122.021 121.223 -0.008 0.000 2.485 910 L HA 0.412 4.696 4.340 -0.094 0.000 0.260 910 L C 1.473 178.345 176.870 0.004 0.000 0.998 910 L CA -0.092 54.745 54.840 -0.005 0.000 0.883 910 L CB 0.687 42.738 42.059 -0.013 0.000 1.196 910 L HN 0.069 nan 8.230 nan 0.000 0.443 911 G N 1.711 110.516 108.800 0.008 0.000 2.462 911 G HA2 -0.200 3.704 3.960 -0.094 0.000 0.220 911 G HA3 -0.200 3.704 3.960 -0.094 0.000 0.220 911 G C 0.338 175.244 174.900 0.009 0.000 1.121 911 G CA 0.390 45.496 45.100 0.009 0.000 0.758 911 G HN 0.534 nan 8.290 nan 0.000 0.559 912 D N -1.022 119.385 120.400 0.010 0.000 2.232 912 D HA 0.527 5.110 4.640 -0.094 0.000 0.242 912 D C -0.153 176.154 176.300 0.013 0.000 1.093 912 D CA -0.475 53.532 54.000 0.013 0.000 0.845 912 D CB 1.473 42.283 40.800 0.016 0.000 1.124 912 D HN -0.071 nan 8.370 nan 0.000 0.467 913 I N 2.483 123.061 120.570 0.013 0.000 3.690 913 I HA 0.022 4.135 4.170 -0.094 0.000 0.331 913 I C -0.315 175.811 176.117 0.016 0.000 1.379 913 I CA -0.117 61.191 61.300 0.014 0.000 0.974 913 I CB 0.302 38.308 38.000 0.010 0.000 1.909 913 I HN 0.217 nan 8.210 nan 0.000 0.698 914 K N 1.954 122.364 120.400 0.016 0.000 2.360 914 K HA 0.113 4.377 4.320 -0.094 0.000 0.225 914 K C 0.964 177.577 176.600 0.022 0.000 1.246 914 K CA 0.508 56.805 56.287 0.016 0.000 1.198 914 K CB -0.411 32.098 32.500 0.015 0.000 1.348 914 K HN 0.514 nan 8.250 nan 0.000 0.232 915 T N -1.692 112.877 114.554 0.025 0.000 3.685 915 T HA 0.067 4.361 4.350 -0.094 0.000 0.215 915 T C 1.599 176.318 174.700 0.032 0.000 0.797 915 T CA -0.695 61.426 62.100 0.035 0.000 1.962 915 T CB -0.022 68.871 68.868 0.043 0.000 2.541 915 T HN 0.064 nan 8.240 nan 0.000 0.359 916 L N 1.382 122.625 121.223 0.032 0.000 1.910 916 L HA 0.024 4.308 4.340 -0.094 0.000 0.221 916 L C 2.666 179.538 176.870 0.004 0.000 1.084 916 L CA 1.988 56.839 54.840 0.018 0.000 0.779 916 L CB -1.337 40.723 42.059 0.001 0.000 0.888 916 L HN 0.699 nan 8.230 nan 0.000 0.432 917 E N -0.704 119.494 120.200 -0.004 0.000 2.333 917 E HA -0.151 4.143 4.350 -0.094 0.000 0.198 917 E C 1.873 178.471 176.600 -0.003 0.000 1.007 917 E CA 0.730 57.124 56.400 -0.010 0.000 0.845 917 E CB -0.055 29.636 29.700 -0.016 0.000 0.766 917 E HN 0.681 nan 8.360 nan 0.000 0.507 918 G N 1.206 110.008 108.800 0.004 0.000 2.475 918 G HA2 -0.268 3.636 3.960 -0.094 0.000 0.220 918 G HA3 -0.268 3.636 3.960 -0.094 0.000 0.220 918 G C 1.073 175.976 174.900 0.005 0.000 1.125 918 G CA 0.630 45.734 45.100 0.006 0.000 0.755 918 G HN 0.337 nan 8.290 nan 0.000 0.565 919 E N 0.195 120.399 120.200 0.006 0.000 2.403 919 E HA 0.345 4.639 4.350 -0.094 0.000 0.188 919 E C 1.187 177.787 176.600 0.001 0.000 1.056 919 E CA -0.016 56.388 56.400 0.006 0.000 0.892 919 E CB 0.019 29.726 29.700 0.012 0.000 1.049 919 E HN 0.327 nan 8.360 nan 0.000 0.465 920 G N 1.833 110.631 108.800 -0.004 0.000 2.359 920 G HA2 -0.269 3.635 3.960 -0.094 0.000 0.298 920 G HA3 -0.269 3.635 3.960 -0.094 0.000 0.298 920 G C -0.312 174.581 174.900 -0.012 0.000 1.030 920 G CA 0.048 45.143 45.100 -0.008 0.000 1.149 920 G HN 0.130 nan 8.290 nan 0.000 0.512 921 L N 0.385 121.599 121.223 -0.015 0.000 2.332 921 L HA 0.839 5.122 4.340 -0.094 0.000 0.269 921 L C 0.954 177.805 176.870 -0.032 0.000 1.016 921 L CA 0.049 54.878 54.840 -0.019 0.000 0.809 921 L CB 1.944 43.995 42.059 -0.013 0.000 1.280 921 L HN 0.584 nan 8.230 nan 0.000 0.447 922 S N 0.751 116.428 115.700 -0.038 0.000 2.651 922 S HA 0.330 4.743 4.470 -0.094 0.000 0.291 922 S C 0.973 175.531 174.600 -0.070 0.000 1.141 922 S CA -0.585 57.582 58.200 -0.055 0.000 1.027 922 S CB 1.028 64.196 63.200 -0.053 0.000 1.043 922 S HN 0.491 nan 8.310 nan 0.000 0.530 923 L N 2.366 123.530 121.223 -0.099 0.000 1.997 923 L HA -0.113 4.171 4.340 -0.094 0.000 0.216 923 L C 2.906 179.707 176.870 -0.116 0.000 1.074 923 L CA 2.665 57.425 54.840 -0.134 0.000 0.763 923 L CB -1.841 40.102 42.059 -0.193 0.000 0.890 923 L HN 1.017 nan 8.230 nan 0.000 0.434 924 A N -0.570 122.190 122.820 -0.100 0.000 1.859 924 A HA -0.270 3.994 4.320 -0.094 0.000 0.217 924 A C 2.087 179.648 177.584 -0.038 0.000 1.198 924 A CA 2.087 54.081 52.037 -0.070 0.000 0.629 924 A CB -0.725 18.238 19.000 -0.062 0.000 0.830 924 A HN 0.630 nan 8.150 nan 0.000 0.446 925 E N -0.444 119.736 120.200 -0.032 0.000 2.208 925 E HA -0.093 4.201 4.350 -0.094 0.000 0.193 925 E C 2.040 178.636 176.600 -0.006 0.000 0.988 925 E CA 1.119 57.511 56.400 -0.013 0.000 0.828 925 E CB -0.325 29.368 29.700 -0.011 0.000 0.763 925 E HN 0.658 nan 8.360 nan 0.000 0.478 926 M N 0.792 120.378 119.600 -0.023 0.000 2.099 926 M HA -0.130 4.294 4.480 -0.094 0.000 0.262 926 M C 2.424 178.715 176.300 -0.015 0.000 1.067 926 M CA 1.138 56.425 55.300 -0.022 0.000 1.124 926 M CB -0.230 32.338 32.600 -0.052 0.000 1.353 926 M HN 0.025 nan 8.290 nan 0.000 0.410 927 V N -0.187 119.713 119.914 -0.023 0.000 2.407 927 V HA -0.252 3.812 4.120 -0.094 0.000 0.248 927 V C 2.540 178.662 176.094 0.046 0.000 1.055 927 V CA 2.154 64.465 62.300 0.019 0.000 1.049 927 V CB -0.899 30.947 31.823 0.038 0.000 0.662 927 V HN 0.567 nan 8.190 nan 0.000 0.455 928 S N -0.157 115.563 115.700 0.032 0.000 2.383 928 S HA -0.187 4.226 4.470 -0.094 0.000 0.227 928 S C 2.186 176.814 174.600 0.047 0.000 1.026 928 S CA 1.047 59.268 58.200 0.036 0.000 0.981 928 S CB -0.200 63.013 63.200 0.022 0.000 0.818 928 S HN 0.506 nan 8.310 nan 0.000 0.472 929 R N 0.716 121.250 120.500 0.056 0.000 2.070 929 R HA 0.011 4.295 4.340 -0.094 0.000 0.232 929 R C 2.350 178.740 176.300 0.150 0.000 1.138 929 R CA 1.697 57.851 56.100 0.091 0.000 0.936 929 R CB -1.255 29.102 30.300 0.095 0.000 0.839 929 R HN 0.494 nan 8.270 nan 0.000 0.429 930 I N 1.165 121.836 120.570 0.168 0.000 2.151 930 I HA -0.289 3.825 4.170 -0.094 0.000 0.243 930 I C 2.542 178.757 176.117 0.164 0.000 1.080 930 I CA 1.455 62.903 61.300 0.248 0.000 1.339 930 I CB -0.333 37.677 38.000 0.015 0.000 1.039 930 I HN 0.282 nan 8.210 nan 0.000 0.409 931 E N 0.321 120.566 120.200 0.074 0.000 2.118 931 E HA -0.271 4.023 4.350 -0.094 0.000 0.195 931 E C 2.095 178.692 176.600 -0.004 0.000 0.992 931 E CA 1.220 57.630 56.400 0.017 0.000 0.804 931 E CB 0.004 29.714 29.700 0.017 0.000 0.741 931 E HN 0.442 nan 8.360 nan 0.000 0.458 932 E N -0.042 120.175 120.200 0.027 0.000 2.285 932 E HA -0.139 4.155 4.350 -0.094 0.000 0.194 932 E C 1.294 177.896 176.600 0.004 0.000 0.997 932 E CA 0.512 56.921 56.400 0.015 0.000 0.845 932 E CB 0.223 29.943 29.700 0.033 0.000 0.782 932 E HN 0.266 nan 8.360 nan 0.000 0.491 933 D N 0.236 120.654 120.400 0.029 0.000 2.162 933 D HA -0.031 4.553 4.640 -0.094 0.000 0.205 933 D C 2.057 178.148 176.300 -0.349 0.000 0.964 933 D CA 0.531 54.528 54.000 -0.006 0.000 0.847 933 D CB 0.151 41.047 40.800 0.161 0.000 0.988 933 D HN 0.210 nan 8.370 nan 0.000 0.480 934 I N 1.664 121.934 120.570 -0.500 0.000 2.252 934 I HA -0.216 3.898 4.170 -0.094 0.000 0.245 934 I C 2.603 178.493 176.117 -0.378 0.000 1.102 934 I CA 0.758 61.511 61.300 -0.911 0.000 1.385 934 I CB -0.350 37.215 38.000 -0.725 0.000 1.064 934 I HN -0.019 nan 8.210 nan 0.000 0.414 935 K N 1.703 121.980 120.400 -0.204 0.000 2.034 935 K HA -0.242 4.022 4.320 -0.094 0.000 0.214 935 K C 1.938 178.495 176.600 -0.072 0.000 1.051 935 K CA 2.522 58.744 56.287 -0.108 0.000 0.931 935 K CB -0.290 32.171 32.500 -0.066 0.000 0.715 935 K HN 0.205 nan 8.250 nan 0.000 0.446 936 S N -0.281 115.394 115.700 -0.042 0.000 2.515 936 S HA -0.019 4.395 4.470 -0.094 0.000 0.231 936 S C 1.240 175.885 174.600 0.075 0.000 0.987 936 S CA 0.765 58.973 58.200 0.014 0.000 0.936 936 S CB -0.216 63.006 63.200 0.037 0.000 0.766 936 S HN 0.496 nan 8.310 nan 0.000 0.528 937 F N 2.062 121.947 119.950 -0.108 0.000 2.453 937 F HA 0.515 4.986 4.527 -0.094 0.000 0.284 937 F C 1.016 176.795 175.800 -0.034 0.000 1.065 937 F CA -0.064 57.916 58.000 -0.032 0.000 1.411 937 F CB -0.411 38.607 39.000 0.029 0.000 1.131 937 F HN 0.065 nan 8.300 nan 0.000 0.582 938 A N 1.832 124.545 122.820 -0.177 0.000 2.531 938 A HA 0.308 4.572 4.320 -0.094 0.000 0.236 938 A C -0.383 177.074 177.584 -0.212 0.000 1.062 938 A CA 0.415 52.319 52.037 -0.222 0.000 0.760 938 A CB -0.387 18.552 19.000 -0.102 0.000 0.995 938 A HN 0.660 nan 8.150 nan 0.000 0.501 939 D N -0.322 119.954 120.400 -0.207 0.000 2.887 939 D HA 0.202 4.786 4.640 -0.094 0.000 0.221 939 D C 0.177 176.423 176.300 -0.091 0.000 1.276 939 D CA 0.062 53.975 54.000 -0.144 0.000 1.078 939 D CB -0.058 40.643 40.800 -0.165 0.000 1.217 939 D HN 0.287 nan 8.370 nan 0.000 0.631 940 D N -0.867 119.488 120.400 -0.074 0.000 2.346 940 D HA 0.033 4.617 4.640 -0.094 0.000 0.206 940 D C -0.194 176.088 176.300 -0.029 0.000 1.001 940 D CA 0.514 54.488 54.000 -0.043 0.000 0.871 940 D CB 0.563 41.341 40.800 -0.036 0.000 0.943 940 D HN 0.393 nan 8.370 nan 0.000 0.518 941 E N 0.820 120.991 120.200 -0.048 0.000 3.351 941 E HA 0.182 4.476 4.350 -0.094 0.000 0.220 941 E C -0.691 175.891 176.600 -0.031 0.000 1.150 941 E CA -0.089 56.293 56.400 -0.030 0.000 1.359 941 E CB 1.146 30.817 29.700 -0.048 0.000 1.365 941 E HN -0.140 nan 8.360 nan 0.000 0.434 942 T N 0.625 115.177 114.554 -0.003 0.000 2.841 942 T HA 0.464 4.757 4.350 -0.094 0.000 0.283 942 T C -0.394 174.375 174.700 0.114 0.000 1.000 942 T CA -0.486 61.633 62.100 0.033 0.000 0.977 942 T CB 2.005 70.865 68.868 -0.013 0.000 0.979 942 T HN -0.064 nan 8.240 nan 0.000 0.446 943 V N 2.580 122.603 119.914 0.182 0.000 2.789 943 V HA 0.557 4.620 4.120 -0.094 0.000 0.311 943 V C -0.496 175.769 176.094 0.285 0.000 1.073 943 V CA -0.913 61.510 62.300 0.205 0.000 0.921 943 V CB 2.235 34.162 31.823 0.174 0.000 1.009 943 V HN 0.650 nan 8.190 nan 0.000 0.426 944 V N 5.304 125.396 119.914 0.297 0.000 2.328 944 V HA 0.491 4.555 4.120 -0.094 0.000 0.278 944 V C -0.271 175.959 176.094 0.226 0.000 1.021 944 V CA -0.137 62.392 62.300 0.382 0.000 0.838 944 V CB 1.129 33.233 31.823 0.468 0.000 0.999 944 V HN 0.640 nan 8.190 nan 0.000 0.447 945 I N 4.665 125.315 120.570 0.133 0.000 2.436 945 I HA 0.376 4.490 4.170 -0.094 0.000 0.289 945 I C -0.025 176.071 176.117 -0.034 0.000 1.010 945 I CA -0.577 60.701 61.300 -0.038 0.000 1.098 945 I CB 1.848 39.825 38.000 -0.038 0.000 1.266 945 I HN 0.460 nan 8.210 nan 0.000 0.434 946 N N 5.477 124.133 118.700 -0.074 0.000 2.420 946 N HA 0.115 4.798 4.740 -0.094 0.000 0.262 946 N C -0.186 175.344 175.510 0.033 0.000 1.144 946 N CA 0.303 53.357 53.050 0.006 0.000 0.952 946 N CB 1.760 40.324 38.487 0.128 0.000 1.081 946 N HN 0.430 nan 8.380 nan 0.000 0.480 947 V N 3.071 122.982 119.914 -0.005 0.000 3.166 947 V HA 0.306 4.370 4.120 -0.094 0.000 0.332 947 V C 0.770 176.892 176.094 0.047 0.000 1.434 947 V CA -0.103 62.227 62.300 0.049 0.000 1.121 947 V CB -0.105 31.697 31.823 -0.035 0.000 1.062 947 V HN 0.734 nan 8.190 nan 0.000 0.489 948 A N 0.087 122.916 122.820 0.016 0.000 2.267 948 A HA 0.607 4.871 4.320 -0.094 0.000 0.276 948 A C 0.641 178.264 177.584 0.064 0.000 1.336 948 A CA 0.177 52.227 52.037 0.022 0.000 0.815 948 A CB 0.155 19.155 19.000 -0.001 0.000 1.256 948 A HN 0.398 nan 8.150 nan 0.000 0.512 949 S N -0.562 115.176 115.700 0.062 0.000 2.541 949 S HA 0.423 4.837 4.470 -0.094 0.000 0.283 949 S C -0.040 174.600 174.600 0.066 0.000 1.196 949 S CA -0.348 57.894 58.200 0.069 0.000 1.062 949 S CB 0.713 63.951 63.200 0.063 0.000 1.009 949 S HN 0.683 nan 8.310 nan 0.000 0.502 950 T N 3.834 118.424 114.554 0.060 0.000 2.591 950 T HA -0.097 4.197 4.350 -0.094 0.000 0.245 950 T C 0.476 175.204 174.700 0.046 0.000 1.031 950 T CA 0.854 62.983 62.100 0.049 0.000 1.187 950 T CB -0.496 68.394 68.868 0.037 0.000 1.014 950 T HN 0.693 nan 8.240 nan 0.000 0.488 951 E N 5.698 125.928 120.200 0.050 0.000 2.254 951 E HA 0.450 4.743 4.350 -0.094 0.000 0.261 951 E C -2.470 174.152 176.600 0.035 0.000 1.051 951 E CA -2.311 54.118 56.400 0.048 0.000 0.902 951 E CB 1.141 30.880 29.700 0.065 0.000 1.168 951 E HN 0.229 nan 8.360 nan 0.000 0.423 952 P HA 0.067 nan 4.420 nan 0.000 0.293 952 P C -0.529 176.785 177.300 0.024 0.000 1.298 952 P CA -0.480 62.634 63.100 0.023 0.000 0.757 952 P CB 0.423 32.135 31.700 0.020 0.000 1.262 953 L N 1.751 122.986 121.223 0.020 0.000 2.302 953 L HA 0.347 4.631 4.340 -0.094 0.000 0.285 953 L C -1.652 175.235 176.870 0.028 0.000 1.090 953 L CA -1.605 53.247 54.840 0.020 0.000 0.866 953 L CB -0.482 41.585 42.059 0.013 0.000 1.244 953 L HN 0.284 nan 8.230 nan 0.000 0.435 954 P HA 0.052 nan 4.420 nan 0.000 0.270 954 P C -0.597 176.740 177.300 0.061 0.000 1.223 954 P CA -0.417 62.709 63.100 0.043 0.000 0.785 954 P CB 0.719 32.441 31.700 0.037 0.000 0.923 955 N N 1.076 119.831 118.700 0.092 0.000 2.462 955 N HA 0.079 4.763 4.740 -0.094 0.000 0.242 955 N C -0.808 174.838 175.510 0.227 0.000 1.010 955 N CA -0.378 52.757 53.050 0.143 0.000 0.939 955 N CB -0.112 38.453 38.487 0.129 0.000 1.127 955 N HN 0.394 nan 8.380 nan 0.000 0.509 956 Y N 3.101 123.428 120.300 0.045 0.000 2.620 956 Y HA 0.033 4.527 4.550 -0.093 0.000 0.330 956 Y C 0.279 176.293 175.900 0.190 0.000 1.186 956 Y CA 0.239 58.364 58.100 0.043 0.000 1.467 956 Y CB 0.466 38.916 38.460 -0.017 0.000 1.262 956 Y HN 0.370 nan 8.280 nan 0.000 0.550 957 S N 5.627 121.245 115.700 -0.137 0.000 2.605 957 S HA 0.211 4.624 4.470 -0.094 0.000 0.308 957 S C 0.333 174.544 174.600 -0.649 0.000 1.113 957 S CA -0.841 57.171 58.200 -0.313 0.000 1.049 957 S CB 1.528 64.511 63.200 -0.361 0.000 1.001 957 S HN 0.917 nan 8.310 nan 0.000 0.480 958 E N 2.144 122.037 120.200 -0.512 0.000 2.409 958 E HA -0.115 4.179 4.350 -0.094 0.000 0.198 958 E C 0.690 177.119 176.600 -0.284 0.000 1.024 958 E CA 0.805 56.992 56.400 -0.354 0.000 0.861 958 E CB 0.230 29.896 29.700 -0.057 0.000 0.788 958 E HN 0.781 nan 8.360 nan 0.000 0.521 959 E N -0.679 119.276 120.200 -0.408 0.000 2.028 959 E HA -0.120 4.173 4.350 -0.094 0.000 0.191 959 E C 1.182 177.547 176.600 -0.393 0.000 0.988 959 E CA 1.292 57.402 56.400 -0.484 0.000 0.799 959 E CB -0.202 29.001 29.700 -0.828 0.000 0.755 959 E HN 0.441 nan 8.360 nan 0.000 0.447 960 Y N -1.772 118.242 120.300 -0.477 0.000 2.467 960 Y HA 0.163 4.656 4.550 -0.094 0.000 0.250 960 Y C 1.194 176.786 175.900 -0.514 0.000 1.155 960 Y CA -0.116 57.664 58.100 -0.534 0.000 1.249 960 Y CB 0.709 38.713 38.460 -0.761 0.000 1.146 960 Y HN 0.148 nan 8.280 nan 0.000 0.524 961 H N -1.601 117.404 119.070 -0.108 0.000 3.058 961 H HA 0.306 4.807 4.556 -0.093 0.000 0.266 961 H C 1.228 176.513 175.328 -0.071 0.000 1.135 961 H CA 0.398 56.392 56.048 -0.091 0.000 1.174 961 H CB 1.163 30.724 29.762 -0.335 0.000 1.581 961 H HN 0.248 nan 8.280 nan 0.000 0.553 962 G N 0.696 109.488 108.800 -0.013 0.000 4.331 962 G HA2 0.310 4.213 3.960 -0.094 0.000 0.299 962 G HA3 0.310 4.213 3.960 -0.094 0.000 0.299 962 G C -0.527 174.410 174.900 0.061 0.000 1.158 962 G CA 0.041 45.188 45.100 0.078 0.000 0.916 962 G HN 0.184 nan 8.290 nan 0.000 0.553 963 S N -0.314 115.427 115.700 0.068 0.000 2.674 963 S HA 0.019 4.433 4.470 -0.094 0.000 0.321 963 S C 0.252 174.902 174.600 0.084 0.000 0.934 963 S CA -0.564 57.673 58.200 0.061 0.000 0.827 963 S CB 0.231 63.452 63.200 0.036 0.000 1.041 963 S HN 0.349 nan 8.310 nan 0.000 0.470 964 L N 3.746 125.019 121.223 0.084 0.000 2.129 964 L HA 0.060 4.344 4.340 -0.094 0.000 0.212 964 L C 2.433 179.376 176.870 0.122 0.000 1.087 964 L CA 2.700 57.610 54.840 0.117 0.000 0.757 964 L CB -0.729 41.390 42.059 0.099 0.000 0.896 964 L HN 0.965 nan 8.230 nan 0.000 0.434 965 E N -0.913 119.334 120.200 0.079 0.000 2.268 965 E HA -0.139 4.155 4.350 -0.094 0.000 0.195 965 E C 1.817 178.445 176.600 0.047 0.000 0.995 965 E CA 1.000 57.434 56.400 0.055 0.000 0.836 965 E CB -0.047 29.675 29.700 0.037 0.000 0.763 965 E HN 0.597 nan 8.360 nan 0.000 0.491 966 G N 0.437 109.278 108.800 0.067 0.000 2.518 966 G HA2 -0.219 3.684 3.960 -0.094 0.000 0.213 966 G HA3 -0.219 3.684 3.960 -0.094 0.000 0.213 966 G C 1.329 176.250 174.900 0.036 0.000 1.226 966 G CA 0.295 45.447 45.100 0.087 0.000 0.822 966 G HN 0.347 nan 8.290 nan 0.000 0.546 967 F N 1.823 121.710 119.950 -0.106 0.000 2.184 967 F HA -0.138 4.333 4.527 -0.094 0.000 0.301 967 F C 2.639 178.267 175.800 -0.287 0.000 1.076 967 F CA 2.107 59.983 58.000 -0.207 0.000 1.295 967 F CB 0.175 39.089 39.000 -0.143 0.000 1.026 967 F HN 0.218 nan 8.300 nan 0.000 0.494 968 E N -0.518 119.647 120.200 -0.059 0.000 2.216 968 E HA -0.185 4.109 4.350 -0.094 0.000 0.192 968 E C 2.202 178.681 176.600 -0.203 0.000 0.988 968 E CA 0.680 57.004 56.400 -0.127 0.000 0.834 968 E CB -0.153 29.578 29.700 0.051 0.000 0.772 968 E HN 0.455 nan 8.360 nan 0.000 0.479 969 R N 0.924 121.307 120.500 -0.196 0.000 2.127 969 R HA 0.040 4.324 4.340 -0.094 0.000 0.217 969 R C 2.398 178.422 176.300 -0.460 0.000 1.074 969 R CA 0.498 56.461 56.100 -0.230 0.000 0.991 969 R CB -0.082 30.151 30.300 -0.112 0.000 0.895 969 R HN 0.095 nan 8.270 nan 0.000 0.450 970 M N 0.584 119.778 119.600 -0.677 0.000 2.144 970 M HA -0.182 4.241 4.480 -0.094 0.000 0.260 970 M C 1.453 177.350 176.300 -0.672 0.000 1.067 970 M CA 1.751 56.454 55.300 -0.995 0.000 1.095 970 M CB -0.054 31.970 32.600 -0.960 0.000 1.365 970 M HN 0.252 nan 8.290 nan 0.000 0.406 971 I N 0.173 120.383 120.570 -0.600 0.000 2.546 971 I HA -0.224 3.890 4.170 -0.094 0.000 0.255 971 I C 1.832 177.767 176.117 -0.303 0.000 1.163 971 I CA 1.053 62.080 61.300 -0.456 0.000 1.457 971 I CB -0.324 37.400 38.000 -0.459 0.000 1.092 971 I HN 0.278 nan 8.210 nan 0.000 0.434 972 D N 0.142 120.373 120.400 -0.282 0.000 2.346 972 D HA -0.043 4.540 4.640 -0.094 0.000 0.206 972 D C 1.538 177.727 176.300 -0.185 0.000 1.001 972 D CA 0.580 54.466 54.000 -0.190 0.000 0.871 972 D CB 0.284 40.998 40.800 -0.143 0.000 0.943 972 D HN 0.254 nan 8.370 nan 0.000 0.518 973 E N 0.958 121.002 120.200 -0.261 0.000 2.463 973 E HA -0.041 4.253 4.350 -0.094 0.000 0.193 973 E C -0.109 176.379 176.600 -0.187 0.000 1.041 973 E CA -0.004 56.265 56.400 -0.217 0.000 0.879 973 E CB 0.269 29.797 29.700 -0.286 0.000 0.997 973 E HN 0.080 nan 8.360 nan 0.000 0.478 974 D N 1.573 121.854 120.400 -0.198 0.000 2.737 974 D HA -0.194 4.390 4.640 -0.094 0.000 0.233 974 D C -0.571 175.642 176.300 -0.146 0.000 1.155 974 D CA 0.497 54.402 54.000 -0.158 0.000 0.667 974 D CB -0.514 40.223 40.800 -0.104 0.000 1.060 974 D HN 0.126 nan 8.370 nan 0.000 0.427 975 R N 1.020 121.400 120.500 -0.199 0.000 2.878 975 R HA 0.081 4.365 4.340 -0.094 0.000 0.239 975 R C 1.498 177.742 176.300 -0.093 0.000 1.515 975 R CA -0.181 55.855 56.100 -0.107 0.000 1.210 975 R CB 0.152 30.389 30.300 -0.105 0.000 1.209 975 R HN 0.257 nan 8.270 nan 0.000 0.610 976 K N 1.605 121.954 120.400 -0.086 0.000 2.365 976 K HA -0.120 4.143 4.320 -0.094 0.000 0.199 976 K C 0.963 177.522 176.600 -0.068 0.000 1.045 976 K CA 0.968 57.208 56.287 -0.078 0.000 0.962 976 K CB 0.384 32.841 32.500 -0.071 0.000 0.759 976 K HN 0.482 nan 8.250 nan 0.000 0.469 977 E N 0.476 120.611 120.200 -0.107 0.000 2.000 977 E HA -0.208 4.086 4.350 -0.094 0.000 0.199 977 E C 1.724 178.224 176.600 -0.168 0.000 1.011 977 E CA 1.727 57.992 56.400 -0.225 0.000 0.836 977 E CB -0.522 28.886 29.700 -0.486 0.000 0.778 977 E HN 0.348 nan 8.360 nan 0.000 0.462 978 Y N 1.003 121.353 120.300 0.084 0.000 2.373 978 Y HA 0.106 4.600 4.550 -0.094 0.000 0.293 978 Y C 1.125 177.165 175.900 0.233 0.000 1.129 978 Y CA 0.149 58.384 58.100 0.225 0.000 1.226 978 Y CB -0.292 38.305 38.460 0.229 0.000 1.000 978 Y HN -0.017 nan 8.280 nan 0.000 0.549 979 A N 0.913 123.839 122.820 0.177 0.000 2.450 979 A HA 0.387 4.651 4.320 -0.094 0.000 0.255 979 A C 0.497 178.143 177.584 0.104 0.000 1.096 979 A CA 0.092 52.182 52.037 0.089 0.000 0.778 979 A CB 0.009 18.952 19.000 -0.096 0.000 1.031 979 A HN 0.250 nan 8.150 nan 0.000 0.494 980 S N 1.684 117.474 115.700 0.150 0.000 2.648 980 S HA 0.637 5.051 4.470 -0.094 0.000 0.305 980 S C 1.047 175.692 174.600 0.075 0.000 1.094 980 S CA -0.013 58.250 58.200 0.104 0.000 0.983 980 S CB 1.641 64.912 63.200 0.117 0.000 1.101 980 S HN 1.557 nan 8.310 nan 0.000 0.514 981 A N 2.098 124.952 122.820 0.058 0.000 1.898 981 A HA 0.017 4.281 4.320 -0.094 0.000 0.216 981 A C 2.253 179.883 177.584 0.076 0.000 1.181 981 A CA 1.929 53.970 52.037 0.006 0.000 0.620 981 A CB -1.487 17.558 19.000 0.074 0.000 0.819 981 A HN 1.562 nan 8.150 nan 0.000 0.442 982 S N -0.938 114.893 115.700 0.218 0.000 2.595 982 S HA 0.028 4.442 4.470 -0.094 0.000 0.235 982 S C 1.572 176.294 174.600 0.203 0.000 0.974 982 S CA 1.194 59.586 58.200 0.319 0.000 0.942 982 S CB -0.498 62.853 63.200 0.252 0.000 0.766 982 S HN 0.530 nan 8.310 nan 0.000 0.536 983 M N 0.154 119.844 119.600 0.151 0.000 2.545 983 M HA 0.280 4.704 4.480 -0.094 0.000 0.264 983 M C 1.762 178.169 176.300 0.179 0.000 1.155 983 M CA 0.553 55.941 55.300 0.147 0.000 1.162 983 M CB -0.235 32.569 32.600 0.340 0.000 1.330 983 M HN 0.301 nan 8.290 nan 0.000 0.479 984 L N -0.975 120.315 121.223 0.112 0.000 2.093 984 L HA -0.167 4.117 4.340 -0.094 0.000 0.208 984 L C 2.205 179.061 176.870 -0.023 0.000 1.085 984 L CA 1.527 56.382 54.840 0.024 0.000 0.755 984 L CB -0.781 41.153 42.059 -0.209 0.000 0.904 984 L HN 0.270 nan 8.230 nan 0.000 0.435 985 Y N 0.002 120.324 120.300 0.037 0.000 2.109 985 Y HA -0.208 4.286 4.550 -0.093 0.000 0.285 985 Y C 2.780 178.604 175.900 -0.126 0.000 1.131 985 Y CA 0.876 58.979 58.100 0.004 0.000 1.121 985 Y CB -0.433 38.073 38.460 0.077 0.000 0.987 985 Y HN 0.105 nan 8.280 nan 0.000 0.495 986 A N -0.208 122.480 122.820 -0.219 0.000 1.865 986 A HA -0.306 3.958 4.320 -0.094 0.000 0.217 986 A C 2.048 179.425 177.584 -0.344 0.000 1.191 986 A CA 1.960 53.527 52.037 -0.783 0.000 0.623 986 A CB -1.542 16.901 19.000 -0.928 0.000 0.826 986 A HN 0.649 nan 8.150 nan 0.000 0.444 987 Y N 0.701 120.839 120.300 -0.270 0.000 2.207 987 Y HA -0.133 4.361 4.550 -0.094 0.000 0.287 987 Y C 2.596 178.451 175.900 -0.075 0.000 1.156 987 Y CA 1.313 59.318 58.100 -0.159 0.000 1.182 987 Y CB -0.496 37.970 38.460 0.010 0.000 0.979 987 Y HN 0.341 nan 8.280 nan 0.000 0.521 988 A N 0.707 123.546 122.820 0.031 0.000 1.851 988 A HA -0.197 4.067 4.320 -0.094 0.000 0.216 988 A C 2.455 179.976 177.584 -0.105 0.000 1.195 988 A CA 2.476 54.497 52.037 -0.026 0.000 0.622 988 A CB -1.664 17.373 19.000 0.061 0.000 0.831 988 A HN 0.632 nan 8.150 nan 0.000 0.444 989 A N -0.791 121.999 122.820 -0.049 0.000 1.898 989 A HA 0.051 4.315 4.320 -0.094 0.000 0.216 989 A C 2.185 179.732 177.584 -0.062 0.000 1.181 989 A CA 1.409 53.440 52.037 -0.011 0.000 0.620 989 A CB -0.576 18.504 19.000 0.134 0.000 0.819 989 A HN 0.463 nan 8.150 nan 0.000 0.442 990 L N -0.957 120.182 121.223 -0.141 0.000 2.141 990 L HA -0.159 4.124 4.340 -0.094 0.000 0.209 990 L C 2.547 179.310 176.870 -0.178 0.000 1.094 990 L CA 1.580 56.334 54.840 -0.144 0.000 0.763 990 L CB -0.287 41.642 42.059 -0.217 0.000 0.908 990 L HN 0.329 nan 8.230 nan 0.000 0.437 991 K N 0.899 121.125 120.400 -0.290 0.000 2.057 991 K HA -0.133 4.131 4.320 -0.094 0.000 0.207 991 K C 1.726 178.219 176.600 -0.177 0.000 1.049 991 K CA 1.493 57.587 56.287 -0.321 0.000 0.931 991 K CB -0.244 31.942 32.500 -0.524 0.000 0.714 991 K HN 0.197 nan 8.250 nan 0.000 0.440 992 L N -0.400 120.740 121.223 -0.138 0.000 2.627 992 L HA 0.135 4.419 4.340 -0.094 0.000 0.233 992 L C 0.883 177.719 176.870 -0.057 0.000 1.144 992 L CA 0.476 55.262 54.840 -0.089 0.000 0.892 992 L CB -0.441 41.568 42.059 -0.084 0.000 1.039 992 L HN 0.625 nan 8.230 nan 0.000 0.442 993 G N 0.616 109.385 108.800 -0.052 0.000 2.153 993 G HA2 -0.293 3.611 3.960 -0.094 0.000 0.252 993 G HA3 -0.293 3.611 3.960 -0.094 0.000 0.252 993 G C 0.130 175.037 174.900 0.011 0.000 0.994 993 G CA 0.032 45.120 45.100 -0.021 0.000 0.698 993 G HN 0.296 nan 8.290 nan 0.000 0.521 994 L N 0.538 121.775 121.223 0.023 0.000 2.334 994 L HA 0.498 4.782 4.340 -0.094 0.000 0.277 994 L C -1.919 175.026 176.870 0.124 0.000 1.075 994 L CA -2.472 52.410 54.840 0.070 0.000 0.804 994 L CB 1.262 43.368 42.059 0.079 0.000 1.174 994 L HN -0.158 nan 8.230 nan 0.000 0.438 995 P HA 0.033 nan 4.420 nan 0.000 0.268 995 P C -1.520 175.940 177.300 0.267 0.000 1.205 995 P CA 0.118 63.339 63.100 0.202 0.000 0.771 995 P CB 0.309 32.119 31.700 0.183 0.000 0.858 996 Y N 2.486 122.878 120.300 0.155 0.000 2.468 996 Y HA 0.682 5.176 4.550 -0.093 0.000 0.342 996 Y C -1.180 174.814 175.900 0.155 0.000 1.021 996 Y CA -1.103 57.083 58.100 0.143 0.000 1.079 996 Y CB 1.624 40.139 38.460 0.091 0.000 1.226 996 Y HN 0.508 nan 8.280 nan 0.000 0.460 997 A N 4.634 126.987 122.820 -0.778 0.000 2.408 997 A HA 0.438 4.701 4.320 -0.094 0.000 0.295 997 A C -1.849 175.297 177.584 -0.729 0.000 1.040 997 A CA -0.826 50.885 52.037 -0.543 0.000 0.707 997 A CB 0.924 19.859 19.000 -0.107 0.000 1.235 997 A HN 0.681 nan 8.150 nan 0.000 0.418 998 N N 2.125 120.510 118.700 -0.525 0.000 2.546 998 N HA 0.323 5.007 4.740 -0.094 0.000 0.238 998 N C -0.233 175.258 175.510 -0.032 0.000 0.984 998 N CA -0.665 52.250 53.050 -0.224 0.000 0.935 998 N CB 0.260 38.708 38.487 -0.064 0.000 1.122 998 N HN 0.591 nan 8.380 nan 0.000 0.510 999 F N 1.550 121.491 119.950 -0.016 0.000 2.512 999 F HA 0.049 4.520 4.527 -0.093 0.000 0.296 999 F C 1.388 177.248 175.800 0.099 0.000 1.110 999 F CA 0.231 58.317 58.000 0.143 0.000 1.446 999 F CB 0.351 39.423 39.000 0.119 0.000 1.092 999 F HN 0.347 nan 8.300 nan 0.000 0.554 1000 T N -1.995 112.641 114.554 0.136 0.000 2.847 1000 T HA 0.269 4.563 4.350 -0.094 0.000 0.279 1000 T C -2.030 172.682 174.700 0.019 0.000 0.984 1000 T CA -1.914 60.227 62.100 0.070 0.000 0.988 1000 T CB 1.289 70.219 68.868 0.103 0.000 1.040 1000 T HN -0.188 nan 8.240 nan 0.000 0.528 1001 P HA 0.159 nan 4.420 nan 0.000 0.255 1001 P C 0.335 177.645 177.300 0.016 0.000 1.301 1001 P CA -0.156 62.941 63.100 -0.004 0.000 0.817 1001 P CB -0.207 31.486 31.700 -0.011 0.000 1.259 1002 S N -0.101 115.625 115.700 0.043 0.000 2.592 1002 S HA 0.278 4.692 4.470 -0.094 0.000 0.271 1002 S C -1.434 173.202 174.600 0.059 0.000 1.326 1002 S CA -1.135 57.102 58.200 0.060 0.000 1.024 1002 S CB 0.632 63.890 63.200 0.096 0.000 0.921 1002 S HN -0.169 nan 8.310 nan 0.000 0.527 1003 P HA 0.086 nan 4.420 nan 0.000 0.210 1003 P C 1.423 178.772 177.300 0.081 0.000 1.185 1003 P CA 2.038 65.165 63.100 0.046 0.000 0.924 1003 P CB -0.708 31.012 31.700 0.035 0.000 0.786 1004 G N -0.874 107.989 108.800 0.105 0.000 2.601 1004 G HA2 -0.337 3.567 3.960 -0.094 0.000 0.306 1004 G HA3 -0.337 3.567 3.960 -0.094 0.000 0.306 1004 G C 1.180 176.101 174.900 0.034 0.000 1.172 1004 G CA 1.215 46.396 45.100 0.135 0.000 0.966 1004 G HN 0.513 nan 8.290 nan 0.000 0.542 1005 S N 0.845 116.593 115.700 0.080 0.000 2.605 1005 S HA 0.571 4.984 4.470 -0.094 0.000 0.217 1005 S C 1.755 176.382 174.600 0.046 0.000 0.958 1005 S CA 1.131 59.303 58.200 -0.046 0.000 0.919 1005 S CB 0.623 63.772 63.200 -0.085 0.000 0.780 1005 S HN 1.937 nan 8.310 nan 0.000 0.507 1006 A N 2.266 125.130 122.820 0.073 0.000 2.346 1006 A HA 0.429 4.692 4.320 -0.094 0.000 0.242 1006 A C 0.769 178.374 177.584 0.035 0.000 1.323 1006 A CA -0.415 51.657 52.037 0.059 0.000 0.940 1006 A CB -0.771 18.248 19.000 0.031 0.000 0.943 1006 A HN 0.749 nan 8.150 nan 0.000 0.501 1007 I N -5.091 115.507 120.570 0.046 0.000 2.603 1007 I HA 0.508 4.622 4.170 -0.094 0.000 0.300 1007 I C -2.580 173.599 176.117 0.104 0.000 1.017 1007 I CA -2.662 58.702 61.300 0.107 0.000 1.098 1007 I CB 1.169 39.268 38.000 0.165 0.000 1.279 1007 I HN -0.177 nan 8.210 nan 0.000 0.437 1008 P HA -0.208 nan 4.420 nan 0.000 0.216 1008 P C 1.744 179.097 177.300 0.090 0.000 1.157 1008 P CA 2.995 66.177 63.100 0.138 0.000 0.880 1008 P CB 0.178 32.005 31.700 0.211 0.000 0.791 1009 A N -0.314 122.561 122.820 0.091 0.000 1.859 1009 A HA -0.206 4.057 4.320 -0.094 0.000 0.218 1009 A C 1.993 179.537 177.584 -0.067 0.000 1.209 1009 A CA 1.769 53.817 52.037 0.019 0.000 0.639 1009 A CB -1.754 17.240 19.000 -0.010 0.000 0.835 1009 A HN 0.173 nan 8.150 nan 0.000 0.450 1010 L N -1.212 119.913 121.223 -0.163 0.000 2.682 1010 L HA 0.056 4.340 4.340 -0.094 0.000 0.240 1010 L C 1.814 178.585 176.870 -0.165 0.000 1.178 1010 L CA 0.370 55.076 54.840 -0.224 0.000 0.970 1010 L CB -0.183 41.670 42.059 -0.343 0.000 1.179 1010 L HN 0.464 nan 8.230 nan 0.000 0.435 1011 K N -0.432 119.948 120.400 -0.033 0.000 2.344 1011 K HA -0.026 4.238 4.320 -0.094 0.000 0.200 1011 K C 1.696 178.339 176.600 0.072 0.000 1.132 1011 K CA 0.046 56.379 56.287 0.076 0.000 0.935 1011 K CB 0.447 33.023 32.500 0.125 0.000 1.089 1011 K HN 0.126 nan 8.250 nan 0.000 0.496 1012 E N 1.019 121.245 120.200 0.043 0.000 2.209 1012 E HA -0.208 4.086 4.350 -0.094 0.000 0.196 1012 E C 1.803 178.419 176.600 0.026 0.000 0.993 1012 E CA 0.717 57.142 56.400 0.042 0.000 0.819 1012 E CB 0.192 29.918 29.700 0.042 0.000 0.745 1012 E HN 0.059 nan 8.360 nan 0.000 0.477 1013 L N 0.544 121.765 121.223 -0.003 0.000 2.022 1013 L HA 0.017 4.301 4.340 -0.094 0.000 0.204 1013 L C 2.275 179.129 176.870 -0.027 0.000 1.076 1013 L CA 2.135 56.959 54.840 -0.027 0.000 0.749 1013 L CB -1.006 41.010 42.059 -0.072 0.000 0.903 1013 L HN 0.092 nan 8.230 nan 0.000 0.439 1014 A N -0.607 122.190 122.820 -0.038 0.000 1.873 1014 A HA -0.245 4.019 4.320 -0.094 0.000 0.218 1014 A C 2.165 179.793 177.584 0.073 0.000 1.193 1014 A CA 1.991 54.045 52.037 0.028 0.000 0.629 1014 A CB -0.844 18.229 19.000 0.121 0.000 0.826 1014 A HN 0.586 nan 8.150 nan 0.000 0.447 1015 E N -0.529 119.727 120.200 0.094 0.000 2.118 1015 E HA -0.231 4.063 4.350 -0.094 0.000 0.195 1015 E C 1.969 178.597 176.600 0.048 0.000 0.992 1015 E CA 1.735 58.183 56.400 0.079 0.000 0.804 1015 E CB -0.202 29.546 29.700 0.080 0.000 0.741 1015 E HN 0.720 nan 8.360 nan 0.000 0.458 1016 K N 0.808 121.229 120.400 0.035 0.000 2.432 1016 K HA -0.053 4.210 4.320 -0.094 0.000 0.196 1016 K C 1.317 177.924 176.600 0.013 0.000 1.038 1016 K CA 0.887 57.188 56.287 0.022 0.000 0.986 1016 K CB 0.342 32.853 32.500 0.018 0.000 0.782 1016 K HN -0.139 nan 8.250 nan 0.000 0.485 1017 K N -0.663 119.745 120.400 0.013 0.000 2.438 1017 K HA 0.183 4.446 4.320 -0.094 0.000 0.206 1017 K C 0.006 176.616 176.600 0.015 0.000 1.081 1017 K CA 0.509 56.798 56.287 0.003 0.000 1.053 1017 K CB 1.374 33.863 32.500 -0.019 0.000 0.908 1017 K HN 0.236 nan 8.250 nan 0.000 0.556 1018 G N 2.069 110.889 108.800 0.033 0.000 2.368 1018 G HA2 -0.202 3.702 3.960 -0.094 0.000 0.290 1018 G HA3 -0.202 3.702 3.960 -0.094 0.000 0.290 1018 G C -0.349 174.588 174.900 0.061 0.000 1.098 1018 G CA -0.049 45.076 45.100 0.043 0.000 1.073 1018 G HN 0.069 nan 8.290 nan 0.000 0.511 1019 V N 1.802 121.771 119.914 0.092 0.000 2.443 1019 V HA 0.531 4.594 4.120 -0.094 0.000 0.293 1019 V C -1.878 174.342 176.094 0.209 0.000 1.021 1019 V CA -1.692 60.684 62.300 0.128 0.000 0.848 1019 V CB 2.533 34.419 31.823 0.104 0.000 0.998 1019 V HN 0.318 nan 8.190 nan 0.000 0.424 1020 P HA 0.278 nan 4.420 nan 0.000 0.279 1020 P C -0.978 176.456 177.300 0.222 0.000 1.318 1020 P CA 0.158 63.366 63.100 0.180 0.000 0.819 1020 P CB 0.093 31.904 31.700 0.185 0.000 0.927 1021 H N 2.125 121.265 119.070 0.117 0.000 2.676 1021 H HA 0.903 5.403 4.556 -0.094 0.000 0.352 1021 H C -1.001 174.367 175.328 0.066 0.000 1.193 1021 H CA -1.317 54.807 56.048 0.126 0.000 1.243 1021 H CB 1.700 31.578 29.762 0.193 0.000 1.751 1021 H HN 0.509 nan 8.280 nan 0.000 0.567 1022 A N 0.168 123.013 122.820 0.041 0.000 2.601 1022 A HA 0.791 5.055 4.320 -0.094 0.000 0.291 1022 A C -0.160 177.177 177.584 -0.411 0.000 1.075 1022 A CA -0.190 51.773 52.037 -0.124 0.000 0.671 1022 A CB 1.085 20.098 19.000 0.021 0.000 1.277 1022 A HN 1.693 nan 8.150 nan 0.000 0.417 1023 G N -0.008 108.246 108.800 -0.910 0.000 2.302 1023 G HA2 0.489 4.393 3.960 -0.094 0.000 0.264 1023 G HA3 0.489 4.393 3.960 -0.094 0.000 0.264 1023 G C -1.193 173.089 174.900 -1.030 0.000 1.335 1023 G CA 0.289 44.223 45.100 -1.944 0.000 0.982 1023 G HN 2.110 nan 8.290 nan 0.000 0.473 1024 N N 0.768 119.069 118.700 -0.666 0.000 3.894 1024 N HA 0.174 4.857 4.740 -0.094 0.000 0.270 1024 N C -0.936 174.525 175.510 -0.082 0.000 0.990 1024 N CA 1.291 54.203 53.050 -0.229 0.000 0.681 1024 N CB -1.086 37.321 38.487 -0.134 0.000 1.331 1024 N HN 1.383 nan 8.380 nan 0.000 0.612 1025 D N -0.972 119.410 120.400 -0.031 0.000 5.589 1025 D HA -0.038 4.545 4.640 -0.094 0.000 0.228 1025 D C 0.503 176.750 176.300 -0.088 0.000 1.675 1025 D CA 1.097 55.063 54.000 -0.057 0.000 1.397 1025 D CB -0.465 40.294 40.800 -0.069 0.000 0.554 1025 D HN 0.563 nan 8.370 nan 0.000 0.288 1026 G N 3.562 112.017 108.800 -0.575 0.000 2.202 1026 G HA2 0.181 4.085 3.960 -0.094 0.000 0.251 1026 G HA3 0.181 4.085 3.960 -0.094 0.000 0.251 1026 G C 0.472 175.097 174.900 -0.458 0.000 1.219 1026 G CA 0.160 44.686 45.100 -0.957 0.000 0.943 1026 G HN 0.467 nan 8.290 nan 0.000 0.465 1027 K N 1.873 122.074 120.400 -0.332 0.000 2.231 1027 K HA 0.265 4.529 4.320 -0.094 0.000 0.255 1027 K C 1.199 177.632 176.600 -0.279 0.000 1.108 1027 K CA -0.085 56.032 56.287 -0.283 0.000 0.997 1027 K CB 0.155 32.488 32.500 -0.278 0.000 1.549 1027 K HN 0.464 nan 8.250 nan 0.000 0.419 1028 T N -0.814 113.600 114.554 -0.233 0.000 2.969 1028 T HA 0.268 4.562 4.350 -0.094 0.000 0.250 1028 T C 1.084 175.669 174.700 -0.192 0.000 1.021 1028 T CA 0.355 62.375 62.100 -0.134 0.000 1.003 1028 T CB 0.768 69.636 68.868 0.001 0.000 1.040 1028 T HN 0.469 nan 8.240 nan 0.000 0.492 1029 G N 0.614 109.161 108.800 -0.421 0.000 2.683 1029 G HA2 0.214 4.118 3.960 -0.094 0.000 0.149 1029 G HA3 0.214 4.118 3.960 -0.094 0.000 0.149 1029 G C 0.943 175.033 174.900 -1.351 0.000 1.467 1029 G CA 0.476 44.945 45.100 -1.052 0.000 0.806 1029 G HN 0.288 nan 8.290 nan 0.000 0.709 1030 E N 0.444 120.016 120.200 -1.047 0.000 2.013 1030 E HA -0.175 4.119 4.350 -0.094 0.000 0.202 1030 E C 2.435 178.847 176.600 -0.313 0.000 1.018 1030 E CA 2.221 58.294 56.400 -0.544 0.000 0.834 1030 E CB -0.361 29.203 29.700 -0.227 0.000 0.770 1030 E HN 0.311 nan 8.360 nan 0.000 0.459 1031 T N 2.019 116.408 114.554 -0.274 0.000 2.822 1031 T HA -0.201 4.093 4.350 -0.094 0.000 0.270 1031 T C 1.827 176.371 174.700 -0.260 0.000 1.064 1031 T CA 1.165 63.128 62.100 -0.228 0.000 1.131 1031 T CB -0.333 68.407 68.868 -0.213 0.000 0.858 1031 T HN 0.146 nan 8.240 nan 0.000 0.483 1032 L N 1.404 122.428 121.223 -0.332 0.000 1.970 1032 L HA -0.079 4.205 4.340 -0.094 0.000 0.212 1032 L C 2.504 179.223 176.870 -0.251 0.000 1.071 1032 L CA 1.627 56.279 54.840 -0.313 0.000 0.751 1032 L CB -0.887 40.967 42.059 -0.341 0.000 0.889 1032 L HN 0.081 nan 8.230 nan 0.000 0.432 1033 V N 0.213 119.962 119.914 -0.275 0.000 2.332 1033 V HA -0.331 3.732 4.120 -0.094 0.000 0.248 1033 V C 2.696 178.721 176.094 -0.115 0.000 1.055 1033 V CA 2.294 64.460 62.300 -0.224 0.000 1.038 1033 V CB -0.785 30.857 31.823 -0.301 0.000 0.651 1033 V HN 0.598 nan 8.190 nan 0.000 0.450 1034 K N 0.286 120.656 120.400 -0.050 0.000 2.167 1034 K HA -0.127 4.137 4.320 -0.094 0.000 0.203 1034 K C 2.044 178.530 176.600 -0.189 0.000 1.052 1034 K CA 1.632 57.897 56.287 -0.037 0.000 0.956 1034 K CB -0.159 32.233 32.500 -0.181 0.000 0.735 1034 K HN 0.637 nan 8.250 nan 0.000 0.451 1035 T N -2.295 112.142 114.554 -0.195 0.000 3.118 1035 T HA 0.029 4.323 4.350 -0.094 0.000 0.260 1035 T C 1.362 175.978 174.700 -0.139 0.000 1.139 1035 T CA 1.027 63.017 62.100 -0.183 0.000 1.085 1035 T CB 0.101 68.863 68.868 -0.178 0.000 0.934 1035 T HN 0.065 nan 8.240 nan 0.000 0.518 1036 T N 0.771 115.246 114.554 -0.133 0.000 3.015 1036 T HA 0.359 4.653 4.350 -0.094 0.000 0.250 1036 T C 1.381 175.993 174.700 -0.146 0.000 1.057 1036 T CA 0.095 62.125 62.100 -0.118 0.000 1.066 1036 T CB 0.103 68.900 68.868 -0.119 0.000 0.959 1036 T HN 0.265 nan 8.240 nan 0.000 0.488 1037 L N 0.572 121.722 121.223 -0.121 0.000 2.537 1037 L HA 0.549 4.833 4.340 -0.094 0.000 0.224 1037 L C 2.421 179.189 176.870 -0.171 0.000 1.065 1037 L CA 0.568 55.304 54.840 -0.173 0.000 0.860 1037 L CB -0.385 41.619 42.059 -0.092 0.000 1.086 1037 L HN 0.136 nan 8.230 nan 0.000 0.482 1038 A N 1.125 123.957 122.820 0.021 0.000 1.865 1038 A HA -0.093 4.171 4.320 -0.094 0.000 0.217 1038 A C -0.229 177.293 177.584 -0.103 0.000 1.191 1038 A CA 2.039 54.142 52.037 0.110 0.000 0.623 1038 A CB -2.051 16.910 19.000 -0.065 0.000 0.826 1038 A HN 0.413 nan 8.150 nan 0.000 0.444 1039 P HA -0.167 nan 4.420 nan 0.000 0.222 1039 P C 1.665 178.384 177.300 -0.968 0.000 1.147 1039 P CA 1.387 64.165 63.100 -0.536 0.000 0.790 1039 P CB -0.285 31.086 31.700 -0.549 0.000 0.780 1040 M N -1.767 117.366 119.600 -0.779 0.000 2.144 1040 M HA -0.223 4.201 4.480 -0.094 0.000 0.260 1040 M C 1.240 177.206 176.300 -0.558 0.000 1.067 1040 M CA 2.134 56.997 55.300 -0.728 0.000 1.095 1040 M CB -0.544 31.590 32.600 -0.777 0.000 1.365 1040 M HN -0.188 nan 8.290 nan 0.000 0.406 1041 F N 0.409 120.206 119.950 -0.255 0.000 2.293 1041 F HA 0.151 4.617 4.527 -0.103 0.000 0.297 1041 F C 2.668 178.459 175.800 -0.014 0.000 1.089 1041 F CA 0.996 58.922 58.000 -0.124 0.000 1.377 1041 F CB -1.143 37.803 39.000 -0.091 0.000 1.051 1041 F HN 0.244 nan 8.300 nan 0.000 0.511 1042 A N -0.869 122.010 122.820 0.097 0.000 2.067 1042 A HA -0.148 4.116 4.320 -0.094 0.000 0.219 1042 A C 1.766 179.518 177.584 0.281 0.000 1.158 1042 A CA 1.160 53.303 52.037 0.176 0.000 0.661 1042 A CB -0.997 18.082 19.000 0.133 0.000 0.801 1042 A HN 0.369 nan 8.150 nan 0.000 0.452 1043 Y N -0.626 119.706 120.300 0.053 0.000 2.337 1043 Y HA 0.078 4.574 4.550 -0.090 0.000 0.293 1043 Y C 1.965 177.885 175.900 0.034 0.000 1.123 1043 Y CA 0.604 58.719 58.100 0.025 0.000 1.201 1043 Y CB -0.149 38.302 38.460 -0.014 0.000 1.011 1043 Y HN 0.162 nan 8.280 nan 0.000 0.545 1044 R N 0.764 121.385 120.500 0.202 0.000 2.388 1044 R HA 0.046 4.329 4.340 -0.094 0.000 0.247 1044 R C 0.150 176.548 176.300 0.163 0.000 0.931 1044 R CA -0.103 56.086 56.100 0.149 0.000 1.082 1044 R CB -1.006 29.368 30.300 0.124 0.000 1.135 1044 R HN 0.231 nan 8.270 nan 0.000 0.525 1045 N N 1.171 119.976 118.700 0.176 0.000 2.716 1045 N HA -0.197 4.487 4.740 -0.094 0.000 0.250 1045 N C -0.682 174.920 175.510 0.154 0.000 1.033 1045 N CA 0.762 53.906 53.050 0.156 0.000 0.727 1045 N CB -0.755 37.804 38.487 0.120 0.000 0.950 1045 N HN 0.293 nan 8.380 nan 0.000 0.541 1046 M N -0.090 119.631 119.600 0.202 0.000 2.444 1046 M HA 0.251 4.675 4.480 -0.094 0.000 0.319 1046 M C 0.625 177.013 176.300 0.147 0.000 1.183 1046 M CA -0.630 54.786 55.300 0.194 0.000 1.032 1046 M CB 1.466 34.251 32.600 0.307 0.000 1.569 1046 M HN 0.273 nan 8.290 nan 0.000 0.468 1047 E N 1.194 121.422 120.200 0.047 0.000 2.151 1047 E HA 0.497 4.791 4.350 -0.094 0.000 0.275 1047 E C -1.651 174.969 176.600 0.033 0.000 0.936 1047 E CA -0.777 55.594 56.400 -0.049 0.000 0.777 1047 E CB 1.561 31.123 29.700 -0.230 0.000 1.108 1047 E HN 0.468 nan 8.360 nan 0.000 0.401 1048 V N 5.029 125.083 119.914 0.234 0.000 2.583 1048 V HA 0.033 4.097 4.120 -0.094 0.000 0.287 1048 V C 1.077 177.275 176.094 0.174 0.000 1.051 1048 V CA -0.301 62.083 62.300 0.140 0.000 1.010 1048 V CB 1.277 33.214 31.823 0.189 0.000 0.988 1048 V HN 0.793 nan 8.190 nan 0.000 0.478 1049 V N 3.573 123.524 119.914 0.060 0.000 2.326 1049 V HA 0.344 4.408 4.120 -0.094 0.000 0.238 1049 V C 1.033 177.236 176.094 0.182 0.000 1.038 1049 V CA 1.260 63.607 62.300 0.079 0.000 1.032 1049 V CB -0.514 31.292 31.823 -0.028 0.000 0.675 1049 V HN 0.916 nan 8.190 nan 0.000 0.467 1050 G N -1.639 107.269 108.800 0.180 0.000 2.638 1050 G HA2 0.481 4.385 3.960 -0.094 0.000 0.302 1050 G HA3 0.481 4.385 3.960 -0.094 0.000 0.302 1050 G C -2.165 172.848 174.900 0.187 0.000 1.365 1050 G CA -0.333 44.921 45.100 0.256 0.000 0.987 1050 G HN 0.144 nan 8.290 nan 0.000 0.495 1051 W N 4.802 126.147 121.300 0.075 0.000 2.475 1051 W HA 0.636 5.250 4.660 -0.078 0.000 0.317 1051 W C -0.918 175.650 176.519 0.080 0.000 1.046 1051 W CA -1.121 56.245 57.345 0.036 0.000 1.215 1051 W CB 1.921 31.400 29.460 0.031 0.000 1.335 1051 W HN 0.457 nan 8.180 nan 0.000 0.471 1052 M N 5.426 125.183 119.600 0.262 0.000 2.294 1052 M HA 0.434 4.858 4.480 -0.094 0.000 0.335 1052 M C -1.217 175.306 176.300 0.371 0.000 1.079 1052 M CA 0.105 55.603 55.300 0.331 0.000 0.982 1052 M CB 1.448 34.224 32.600 0.294 0.000 1.651 1052 M HN 0.185 nan 8.290 nan 0.000 0.437 1053 S N 4.600 120.512 115.700 0.354 0.000 2.478 1053 S HA 0.553 4.967 4.470 -0.094 0.000 0.312 1053 S C -1.672 173.114 174.600 0.309 0.000 1.094 1053 S CA -0.447 57.932 58.200 0.298 0.000 1.081 1053 S CB 1.110 64.440 63.200 0.217 0.000 1.007 1053 S HN 0.702 nan 8.310 nan 0.000 0.475 1054 Y N 3.132 123.534 120.300 0.170 0.000 2.361 1054 Y HA 0.405 4.895 4.550 -0.100 0.000 0.328 1054 Y C -1.005 175.044 175.900 0.247 0.000 1.044 1054 Y CA -0.572 57.633 58.100 0.175 0.000 1.085 1054 Y CB 1.082 39.627 38.460 0.142 0.000 1.194 1054 Y HN 0.640 nan 8.280 nan 0.000 0.438 1055 N N 7.295 125.884 118.700 -0.184 0.000 2.284 1055 N HA 0.599 5.283 4.740 -0.094 0.000 0.300 1055 N C -1.484 173.902 175.510 -0.206 0.000 1.047 1055 N CA -0.643 52.357 53.050 -0.083 0.000 0.821 1055 N CB 2.811 41.272 38.487 -0.044 0.000 1.337 1055 N HN 0.660 nan 8.380 nan 0.000 0.482 1056 I N -0.851 119.698 120.570 -0.036 0.000 2.512 1056 I HA 0.627 4.741 4.170 -0.094 0.000 0.287 1056 I C -1.343 174.798 176.117 0.040 0.000 1.069 1056 I CA -1.025 60.268 61.300 -0.011 0.000 1.056 1056 I CB 1.509 39.476 38.000 -0.055 0.000 1.229 1056 I HN 0.190 nan 8.210 nan 0.000 0.429 1057 L N 3.338 124.619 121.223 0.097 0.000 2.568 1057 L HA 0.999 5.283 4.340 -0.094 0.000 0.257 1057 L C 0.135 177.088 176.870 0.138 0.000 1.024 1057 L CA -0.767 54.131 54.840 0.098 0.000 0.854 1057 L CB 0.968 43.073 42.059 0.077 0.000 1.460 1057 L HN 0.727 nan 8.230 nan 0.000 0.409 1058 G N -1.111 107.742 108.800 0.090 0.000 3.738 1058 G HA2 0.148 4.052 3.960 -0.094 0.000 0.241 1058 G HA3 0.148 4.052 3.960 -0.094 0.000 0.241 1058 G C -0.016 175.006 174.900 0.203 0.000 1.068 1058 G CA 0.484 45.636 45.100 0.086 0.000 0.899 1058 G HN 0.901 nan 8.290 nan 0.000 0.519 1059 D N -0.317 120.132 120.400 0.083 0.000 2.453 1059 D HA 0.051 4.635 4.640 -0.094 0.000 0.282 1059 D C 1.210 177.561 176.300 0.085 0.000 1.222 1059 D CA -0.554 53.431 54.000 -0.025 0.000 1.079 1059 D CB 0.198 40.892 40.800 -0.176 0.000 1.128 1059 D HN 0.164 nan 8.370 nan 0.000 0.568 1060 Y N -0.715 119.641 120.300 0.093 0.000 2.219 1060 Y HA -0.266 4.228 4.550 -0.093 0.000 0.283 1060 Y C 2.296 178.230 175.900 0.057 0.000 1.191 1060 Y CA 1.360 59.506 58.100 0.077 0.000 1.199 1060 Y CB -0.171 38.344 38.460 0.090 0.000 0.972 1060 Y HN 0.405 nan 8.280 nan 0.000 0.527 1061 D N -0.623 119.893 120.400 0.194 0.000 2.110 1061 D HA -0.071 4.512 4.640 -0.094 0.000 0.202 1061 D C 2.393 178.763 176.300 0.116 0.000 0.975 1061 D CA 1.354 55.432 54.000 0.130 0.000 0.839 1061 D CB -0.615 40.242 40.800 0.095 0.000 0.996 1061 D HN 0.207 nan 8.370 nan 0.000 0.464 1062 G N 0.560 109.447 108.800 0.146 0.000 2.450 1062 G HA2 -0.261 3.643 3.960 -0.094 0.000 0.220 1062 G HA3 -0.261 3.643 3.960 -0.094 0.000 0.220 1062 G C 1.701 176.699 174.900 0.165 0.000 1.130 1062 G CA 0.550 45.775 45.100 0.208 0.000 0.760 1062 G HN 0.190 nan 8.290 nan 0.000 0.557 1063 K N -0.092 120.381 120.400 0.122 0.000 2.057 1063 K HA -0.001 4.263 4.320 -0.094 0.000 0.207 1063 K C 2.510 179.062 176.600 -0.080 0.000 1.049 1063 K CA 0.917 57.162 56.287 -0.070 0.000 0.931 1063 K CB -0.339 32.223 32.500 0.102 0.000 0.714 1063 K HN 0.296 nan 8.250 nan 0.000 0.440 1064 V N 1.191 121.113 119.914 0.014 0.000 2.725 1064 V HA -0.059 4.005 4.120 -0.094 0.000 0.247 1064 V C 1.943 178.036 176.094 -0.002 0.000 1.058 1064 V CA 0.728 63.031 62.300 0.005 0.000 1.080 1064 V CB -0.057 31.787 31.823 0.036 0.000 0.713 1064 V HN 0.224 nan 8.190 nan 0.000 0.465 1065 L N -0.195 121.038 121.223 0.016 0.000 2.610 1065 L HA -0.024 4.260 4.340 -0.094 0.000 0.232 1065 L C 2.426 179.300 176.870 0.008 0.000 1.149 1065 L CA 0.550 55.401 54.840 0.018 0.000 0.872 1065 L CB -0.475 41.605 42.059 0.035 0.000 0.992 1065 L HN 0.331 nan 8.230 nan 0.000 0.447 1066 S N 0.324 116.005 115.700 -0.031 0.000 2.353 1066 S HA -0.092 4.322 4.470 -0.094 0.000 0.222 1066 S C 1.344 175.930 174.600 -0.024 0.000 1.035 1066 S CA 1.035 59.201 58.200 -0.057 0.000 1.025 1066 S CB 0.042 63.127 63.200 -0.193 0.000 0.902 1066 S HN 0.460 nan 8.310 nan 0.000 0.440 1067 A N 0.907 123.711 122.820 -0.027 0.000 2.366 1067 A HA 0.372 4.636 4.320 -0.094 0.000 0.250 1067 A C 1.117 178.703 177.584 0.003 0.000 1.099 1067 A CA -0.258 51.772 52.037 -0.011 0.000 0.794 1067 A CB 0.049 19.041 19.000 -0.013 0.000 1.056 1067 A HN 0.522 nan 8.150 nan 0.000 0.499 1068 R N -0.619 119.886 120.500 0.007 0.000 2.388 1068 R HA 0.010 4.294 4.340 -0.094 0.000 0.247 1068 R C -0.300 176.006 176.300 0.009 0.000 0.931 1068 R CA 0.418 56.525 56.100 0.012 0.000 1.082 1068 R CB -0.158 30.151 30.300 0.016 0.000 1.135 1068 R HN 0.864 nan 8.270 nan 0.000 0.525 1069 D N 0.825 121.229 120.400 0.007 0.000 2.188 1069 D HA -0.113 4.471 4.640 -0.094 0.000 0.239 1069 D C 1.294 177.601 176.300 0.010 0.000 1.059 1069 D CA 0.539 54.544 54.000 0.008 0.000 0.931 1069 D CB -0.630 40.174 40.800 0.007 0.000 1.011 1069 D HN 0.174 nan 8.370 nan 0.000 0.424 1070 N N 1.845 120.551 118.700 0.011 0.000 2.104 1070 N HA -0.216 4.468 4.740 -0.094 0.000 0.190 1070 N C 1.718 177.236 175.510 0.013 0.000 1.024 1070 N CA 0.984 54.043 53.050 0.016 0.000 0.853 1070 N CB -0.505 37.993 38.487 0.019 0.000 1.008 1070 N HN 0.339 nan 8.380 nan 0.000 0.424 1071 K N 1.699 122.105 120.400 0.011 0.000 2.074 1071 K HA -0.229 4.035 4.320 -0.094 0.000 0.209 1071 K C 1.910 178.512 176.600 0.004 0.000 1.048 1071 K CA 1.568 57.860 56.287 0.009 0.000 0.926 1071 K CB -0.222 32.284 32.500 0.009 0.000 0.713 1071 K HN 0.357 nan 8.250 nan 0.000 0.444 1072 E N 0.674 120.877 120.200 0.005 0.000 2.147 1072 E HA -0.220 4.074 4.350 -0.094 0.000 0.199 1072 E C 1.498 178.096 176.600 -0.003 0.000 1.005 1072 E CA 1.537 57.939 56.400 0.003 0.000 0.810 1072 E CB -0.072 29.631 29.700 0.006 0.000 0.736 1072 E HN 0.348 nan 8.360 nan 0.000 0.460 1073 S N 0.577 116.277 115.700 -0.000 0.000 2.534 1073 S HA -0.206 4.208 4.470 -0.094 0.000 0.217 1073 S C 1.717 176.309 174.600 -0.015 0.000 1.097 1073 S CA 1.447 59.644 58.200 -0.004 0.000 1.288 1073 S CB -0.386 62.817 63.200 0.005 0.000 1.109 1073 S HN 0.310 nan 8.310 nan 0.000 0.398 1074 K N 0.605 120.996 120.400 -0.014 0.000 2.189 1074 K HA -0.169 4.095 4.320 -0.094 0.000 0.207 1074 K C 1.873 178.452 176.600 -0.035 0.000 1.046 1074 K CA 1.452 57.722 56.287 -0.028 0.000 0.928 1074 K CB -0.399 32.088 32.500 -0.022 0.000 0.720 1074 K HN 0.185 nan 8.250 nan 0.000 0.458 1075 V N 1.537 121.436 119.914 -0.025 0.000 2.287 1075 V HA -0.302 3.761 4.120 -0.094 0.000 0.248 1075 V C 2.295 178.365 176.094 -0.039 0.000 1.053 1075 V CA 1.852 64.136 62.300 -0.028 0.000 1.027 1075 V CB -0.395 31.420 31.823 -0.015 0.000 0.646 1075 V HN 0.340 nan 8.190 nan 0.000 0.447 1076 L N 0.508 121.709 121.223 -0.038 0.000 1.956 1076 L HA -0.259 4.025 4.340 -0.094 0.000 0.216 1076 L C 2.758 179.590 176.870 -0.064 0.000 1.073 1076 L CA 2.281 57.093 54.840 -0.046 0.000 0.762 1076 L CB -1.059 40.977 42.059 -0.038 0.000 0.889 1076 L HN 0.502 nan 8.230 nan 0.000 0.433 1077 S N 0.183 115.844 115.700 -0.064 0.000 2.380 1077 S HA -0.262 4.152 4.470 -0.094 0.000 0.229 1077 S C 1.600 176.139 174.600 -0.102 0.000 1.043 1077 S CA 1.663 59.816 58.200 -0.078 0.000 1.038 1077 S CB -0.577 62.579 63.200 -0.073 0.000 0.872 1077 S HN 0.458 nan 8.310 nan 0.000 0.456 1078 K N 0.737 121.078 120.400 -0.098 0.000 2.505 1078 K HA 0.158 4.422 4.320 -0.094 0.000 0.192 1078 K C 0.957 177.478 176.600 -0.131 0.000 1.025 1078 K CA 0.827 57.043 56.287 -0.119 0.000 1.086 1078 K CB 0.022 32.465 32.500 -0.096 0.000 0.840 1078 K HN 0.354 nan 8.250 nan 0.000 0.514 1079 D N 1.044 121.374 120.400 -0.117 0.000 2.716 1079 D HA 0.014 4.598 4.640 -0.094 0.000 0.273 1079 D C 1.218 177.434 176.300 -0.141 0.000 1.024 1079 D CA 0.698 54.625 54.000 -0.121 0.000 0.944 1079 D CB 0.433 41.183 40.800 -0.084 0.000 1.186 1079 D HN -0.049 nan 8.370 nan 0.000 0.485 1080 K N 0.365 120.694 120.400 -0.119 0.000 2.283 1080 K HA 0.010 4.274 4.320 -0.094 0.000 0.202 1080 K C 1.991 178.508 176.600 -0.137 0.000 1.048 1080 K CA 0.459 56.678 56.287 -0.113 0.000 0.948 1080 K CB 0.122 32.570 32.500 -0.087 0.000 0.742 1080 K HN -0.006 nan 8.250 nan 0.000 0.458 1081 V N 1.650 121.468 119.914 -0.161 0.000 2.363 1081 V HA -0.279 3.785 4.120 -0.094 0.000 0.254 1081 V C 2.066 178.032 176.094 -0.213 0.000 1.074 1081 V CA 1.642 63.832 62.300 -0.183 0.000 1.069 1081 V CB -0.397 31.294 31.823 -0.220 0.000 0.659 1081 V HN 0.252 nan 8.190 nan 0.000 0.455 1082 L N -0.524 120.547 121.223 -0.254 0.000 2.131 1082 L HA -0.072 4.212 4.340 -0.094 0.000 0.206 1082 L C 2.396 179.121 176.870 -0.241 0.000 1.087 1082 L CA 1.672 56.338 54.840 -0.291 0.000 0.767 1082 L CB -0.743 41.121 42.059 -0.326 0.000 0.917 1082 L HN 0.391 nan 8.230 nan 0.000 0.441 1083 E N -0.111 119.978 120.200 -0.185 0.000 2.085 1083 E HA -0.261 4.033 4.350 -0.094 0.000 0.194 1083 E C 1.317 177.830 176.600 -0.146 0.000 0.994 1083 E CA 1.474 57.778 56.400 -0.160 0.000 0.801 1083 E CB -0.151 29.491 29.700 -0.097 0.000 0.743 1083 E HN 0.493 nan 8.360 nan 0.000 0.453 1084 K N -0.244 120.082 120.400 -0.123 0.000 2.546 1084 K HA 0.149 4.413 4.320 -0.094 0.000 0.198 1084 K C 1.227 177.772 176.600 -0.092 0.000 1.028 1084 K CA 0.283 56.516 56.287 -0.090 0.000 1.150 1084 K CB 0.343 32.797 32.500 -0.076 0.000 0.876 1084 K HN 0.085 nan 8.250 nan 0.000 0.508 1085 M N -0.275 119.247 119.600 -0.129 0.000 2.249 1085 M HA 0.210 4.634 4.480 -0.094 0.000 0.318 1085 M C 0.812 177.042 176.300 -0.118 0.000 0.930 1085 M CA 0.431 55.659 55.300 -0.120 0.000 1.080 1085 M CB 0.712 33.214 32.600 -0.163 0.000 1.797 1085 M HN 0.177 nan 8.290 nan 0.000 0.619 1086 L N -2.010 119.103 121.223 -0.183 0.000 2.713 1086 L HA 0.425 4.709 4.340 -0.094 0.000 0.223 1086 L C 1.331 178.162 176.870 -0.064 0.000 1.040 1086 L CA 0.730 55.428 54.840 -0.235 0.000 0.894 1086 L CB 0.415 41.997 42.059 -0.795 0.000 1.361 1086 L HN 0.389 nan 8.230 nan 0.000 0.490 1087 G N 0.513 109.259 108.800 -0.090 0.000 2.163 1087 G HA2 -0.265 3.639 3.960 -0.094 0.000 0.213 1087 G HA3 -0.265 3.639 3.960 -0.094 0.000 0.213 1087 G C -0.161 174.816 174.900 0.129 0.000 0.991 1087 G CA 0.167 45.291 45.100 0.040 0.000 0.653 1087 G HN 0.436 nan 8.290 nan 0.000 0.518 1088 Y N -1.103 119.210 120.300 0.021 0.000 2.534 1088 Y HA 0.801 5.293 4.550 -0.095 0.000 0.345 1088 Y C -0.267 175.647 175.900 0.023 0.000 1.031 1088 Y CA -1.263 56.852 58.100 0.025 0.000 1.022 1088 Y CB 1.185 39.665 38.460 0.033 0.000 1.292 1088 Y HN 0.081 nan 8.280 nan 0.000 0.459 1089 S N 5.051 120.845 115.700 0.157 0.000 2.434 1089 S HA 0.404 4.817 4.470 -0.094 0.000 0.318 1089 S C -2.478 172.221 174.600 0.165 0.000 1.062 1089 S CA -1.066 57.178 58.200 0.073 0.000 1.116 1089 S CB 0.058 63.285 63.200 0.046 0.000 0.977 1089 S HN 0.501 nan 8.310 nan 0.000 0.480 1090 P HA 0.090 nan 4.420 nan 0.000 0.274 1090 P C -0.612 176.805 177.300 0.195 0.000 1.231 1090 P CA -0.501 62.740 63.100 0.234 0.000 0.790 1090 P CB 0.385 32.231 31.700 0.242 0.000 0.951 1091 Y N 1.516 121.891 120.300 0.125 0.000 2.729 1091 Y HA 0.123 4.615 4.550 -0.097 0.000 0.331 1091 Y C 0.611 176.591 175.900 0.134 0.000 1.208 1091 Y CA 0.865 59.032 58.100 0.111 0.000 1.521 1091 Y CB 0.199 38.721 38.460 0.103 0.000 1.233 1091 Y HN 0.306 nan 8.280 nan 0.000 0.539 1092 S N 6.925 122.438 115.700 -0.310 0.000 2.482 1092 S HA 0.703 5.117 4.470 -0.094 0.000 0.303 1092 S C -1.052 173.411 174.600 -0.229 0.000 1.091 1092 S CA -0.726 57.399 58.200 -0.126 0.000 1.057 1092 S CB 0.480 63.626 63.200 -0.090 0.000 1.031 1092 S HN 0.655 nan 8.310 nan 0.000 0.485 1093 I N 3.503 124.083 120.570 0.015 0.000 2.447 1093 I HA 0.361 4.475 4.170 -0.094 0.000 0.287 1093 I C -0.700 175.492 176.117 0.126 0.000 1.023 1093 I CA -0.261 61.078 61.300 0.066 0.000 1.083 1093 I CB 2.461 40.571 38.000 0.183 0.000 1.245 1093 I HN 0.531 nan 8.210 nan 0.000 0.434 1094 T N 5.707 120.312 114.554 0.086 0.000 2.965 1094 T HA 0.420 4.714 4.350 -0.094 0.000 0.306 1094 T C -0.912 173.835 174.700 0.079 0.000 0.991 1094 T CA -0.688 61.464 62.100 0.087 0.000 1.001 1094 T CB 1.078 69.960 68.868 0.022 0.000 0.984 1094 T HN 0.499 nan 8.240 nan 0.000 0.446 1095 E N 3.016 123.275 120.200 0.099 0.000 2.340 1095 E HA 0.577 4.871 4.350 -0.094 0.000 0.273 1095 E C -1.011 175.488 176.600 -0.169 0.000 0.891 1095 E CA -0.981 55.437 56.400 0.031 0.000 0.757 1095 E CB 2.757 32.565 29.700 0.179 0.000 1.231 1095 E HN 0.432 nan 8.360 nan 0.000 0.439 1096 I N 2.182 122.665 120.570 -0.146 0.000 2.439 1096 I HA 0.196 4.309 4.170 -0.094 0.000 0.283 1096 I C -0.306 175.747 176.117 -0.106 0.000 1.023 1096 I CA -0.679 60.526 61.300 -0.158 0.000 1.100 1096 I CB 1.411 39.379 38.000 -0.053 0.000 1.238 1096 I HN 0.204 nan 8.210 nan 0.000 0.445 1097 Q N 4.183 123.890 119.800 -0.156 0.000 2.257 1097 Q HA 0.380 4.664 4.340 -0.094 0.000 0.262 1097 Q C -1.022 175.082 176.000 0.173 0.000 0.997 1097 Q CA -0.817 55.007 55.803 0.034 0.000 0.873 1097 Q CB 3.062 31.848 28.738 0.080 0.000 1.312 1097 Q HN 0.536 nan 8.270 nan 0.000 0.450 1098 Y N 0.899 121.249 120.300 0.084 0.000 2.411 1098 Y HA 0.140 4.635 4.550 -0.092 0.000 0.333 1098 Y C -0.736 175.288 175.900 0.206 0.000 1.186 1098 Y CA 0.080 58.243 58.100 0.105 0.000 1.381 1098 Y CB 0.429 38.923 38.460 0.057 0.000 1.273 1098 Y HN 0.565 nan 8.280 nan 0.000 0.546 1099 F N 8.391 128.060 119.950 -0.467 0.000 3.397 1099 F HA 0.253 4.733 4.527 -0.079 0.000 0.406 1099 F C -2.065 173.438 175.800 -0.494 0.000 1.166 1099 F CA -1.605 56.164 58.000 -0.384 0.000 1.322 1099 F CB 0.966 39.890 39.000 -0.127 0.000 2.322 1099 F HN 0.322 nan 8.300 nan 0.000 0.709 1100 P HA -0.170 nan 4.420 nan 0.000 0.218 1100 P C 1.268 178.437 177.300 -0.220 0.000 1.146 1100 P CA 1.645 64.431 63.100 -0.523 0.000 0.813 1100 P CB 0.158 31.592 31.700 -0.443 0.000 0.778 1101 S N -0.253 115.347 115.700 -0.167 0.000 2.436 1101 S HA -0.013 4.401 4.470 -0.094 0.000 0.228 1101 S C 2.017 176.634 174.600 0.030 0.000 1.014 1101 S CA 0.622 58.793 58.200 -0.049 0.000 0.950 1101 S CB -1.283 61.902 63.200 -0.025 0.000 0.784 1101 S HN 0.100 nan 8.310 nan 0.000 0.504 1102 L N 1.131 122.428 121.223 0.125 0.000 2.291 1102 L HA -0.011 4.273 4.340 -0.094 0.000 0.214 1102 L C 1.396 178.254 176.870 -0.019 0.000 1.120 1102 L CA 0.218 55.093 54.840 0.058 0.000 0.799 1102 L CB -0.682 41.417 42.059 0.066 0.000 0.925 1102 L HN 0.097 nan 8.230 nan 0.000 0.446 1103 V N -0.524 119.369 119.914 -0.035 0.000 0.689 1103 V HA -0.548 3.515 4.120 -0.094 0.000 0.092 1103 V C 1.297 177.348 176.094 -0.071 0.000 0.807 1103 V CA 1.952 64.206 62.300 -0.077 0.000 3.104 1103 V CB -1.074 30.678 31.823 -0.119 0.000 0.206 1103 V HN 0.497 nan 8.190 nan 0.000 0.123 1104 D N 0.678 121.008 120.400 -0.118 0.000 2.349 1104 D HA 0.026 4.610 4.640 -0.094 0.000 0.215 1104 D C 1.020 177.285 176.300 -0.059 0.000 1.016 1104 D CA 0.798 54.736 54.000 -0.104 0.000 0.870 1104 D CB -0.299 40.389 40.800 -0.187 0.000 0.917 1104 D HN 0.627 nan 8.370 nan 0.000 0.524 1105 N N 1.287 119.949 118.700 -0.063 0.000 2.598 1105 N HA -0.105 4.579 4.740 -0.094 0.000 0.300 1105 N C -0.272 175.232 175.510 -0.009 0.000 1.224 1105 N CA -0.179 52.845 53.050 -0.044 0.000 1.125 1105 N CB -0.146 38.304 38.487 -0.062 0.000 1.468 1105 N HN 0.079 nan 8.380 nan 0.000 0.504 1106 K N 2.172 122.593 120.400 0.035 0.000 2.436 1106 K HA -0.001 4.263 4.320 -0.094 0.000 0.282 1106 K C -0.788 175.861 176.600 0.082 0.000 1.044 1106 K CA 0.394 56.725 56.287 0.074 0.000 1.028 1106 K CB 0.534 33.106 32.500 0.121 0.000 0.919 1106 K HN 0.191 nan 8.250 nan 0.000 0.474 1107 T N 2.442 117.008 114.554 0.021 0.000 2.855 1107 T HA 0.650 4.944 4.350 -0.094 0.000 0.281 1107 T C -1.168 173.479 174.700 -0.088 0.000 1.007 1107 T CA -0.656 61.398 62.100 -0.077 0.000 1.009 1107 T CB 1.676 70.427 68.868 -0.194 0.000 0.983 1107 T HN 0.706 nan 8.240 nan 0.000 0.455 1108 A N 2.272 124.978 122.820 -0.191 0.000 2.449 1108 A HA 0.840 5.104 4.320 -0.094 0.000 0.302 1108 A C -1.688 175.713 177.584 -0.305 0.000 1.048 1108 A CA -0.715 51.283 52.037 -0.065 0.000 0.708 1108 A CB 1.023 20.086 19.000 0.105 0.000 1.274 1108 A HN 0.708 nan 8.150 nan 0.000 0.410 1109 F N 1.183 121.199 119.950 0.110 0.000 2.460 1109 F HA 0.516 4.949 4.527 -0.156 0.000 0.341 1109 F C -0.397 175.381 175.800 -0.037 0.000 1.130 1109 F CA -0.253 57.774 58.000 0.045 0.000 0.962 1109 F CB 2.221 41.275 39.000 0.090 0.000 1.171 1109 F HN 0.510 nan 8.300 nan 0.000 0.436 1110 D N 2.626 122.923 120.400 -0.173 0.000 2.433 1110 D HA 0.562 5.146 4.640 -0.094 0.000 0.236 1110 D C -1.513 174.657 176.300 -0.215 0.000 1.026 1110 D CA -0.301 53.483 54.000 -0.359 0.000 0.884 1110 D CB 2.407 42.494 40.800 -1.189 0.000 1.384 1110 D HN 0.361 nan 8.370 nan 0.000 0.477 1111 F N 1.439 121.202 119.950 -0.311 0.000 2.581 1111 F HA 0.614 5.075 4.527 -0.110 0.000 0.311 1111 F C -1.920 173.633 175.800 -0.412 0.000 1.113 1111 F CA -0.630 57.194 58.000 -0.295 0.000 0.935 1111 F CB 1.274 40.215 39.000 -0.099 0.000 1.232 1111 F HN 0.133 nan 8.300 nan 0.000 0.445 1112 V N 5.475 124.742 119.914 -1.078 0.000 2.444 1112 V HA 0.266 4.330 4.120 -0.094 0.000 0.294 1112 V C -0.652 174.906 176.094 -0.894 0.000 1.022 1112 V CA -0.565 61.124 62.300 -1.017 0.000 0.850 1112 V CB 1.447 32.751 31.823 -0.865 0.000 0.992 1112 V HN 0.826 nan 8.190 nan 0.000 0.426 1113 H N 5.777 124.343 119.070 -0.839 0.000 2.705 1113 H HA 0.529 5.031 4.556 -0.090 0.000 0.291 1113 H C -0.945 174.263 175.328 -0.200 0.000 1.085 1113 H CA -0.509 55.254 56.048 -0.476 0.000 1.357 1113 H CB 0.658 30.262 29.762 -0.263 0.000 1.419 1113 H HN 0.662 nan 8.280 nan 0.000 0.462 1114 F N 2.613 122.328 119.950 -0.391 0.000 2.563 1114 F HA 0.507 4.971 4.527 -0.105 0.000 0.316 1114 F C -1.286 174.320 175.800 -0.323 0.000 1.076 1114 F CA -1.326 56.407 58.000 -0.445 0.000 0.921 1114 F CB 1.448 39.969 39.000 -0.798 0.000 1.209 1114 F HN 0.209 nan 8.300 nan 0.000 0.462 1115 K N 1.952 122.242 120.400 -0.183 0.000 2.270 1115 K HA 0.744 5.008 4.320 -0.094 0.000 0.255 1115 K C -0.473 176.113 176.600 -0.023 0.000 0.936 1115 K CA -0.650 55.525 56.287 -0.186 0.000 0.809 1115 K CB 1.787 34.188 32.500 -0.165 0.000 1.131 1115 K HN 1.067 nan 8.250 nan 0.000 0.427 1116 G N 1.953 110.746 108.800 -0.012 0.000 2.932 1116 G HA2 0.213 4.117 3.960 -0.094 0.000 0.283 1116 G HA3 0.213 4.117 3.960 -0.094 0.000 0.283 1116 G C 0.162 175.142 174.900 0.134 0.000 1.336 1116 G CA -0.737 44.431 45.100 0.113 0.000 1.056 1116 G HN 0.640 nan 8.290 nan 0.000 0.522 1117 F N -0.128 119.831 119.950 0.016 0.000 2.548 1117 F HA -0.273 4.197 4.527 -0.095 0.000 0.283 1117 F C 1.830 177.623 175.800 -0.011 0.000 1.227 1117 F CA 2.218 60.222 58.000 0.008 0.000 1.443 1117 F CB -0.646 38.363 39.000 0.015 0.000 0.819 1117 F HN 0.136 nan 8.300 nan 0.000 0.555 1118 L N 0.253 121.334 121.223 -0.236 0.000 2.862 1118 L HA 0.208 4.492 4.340 -0.094 0.000 0.240 1118 L C 1.403 178.156 176.870 -0.194 0.000 1.283 1118 L CA 0.656 55.258 54.840 -0.396 0.000 1.117 1118 L CB -0.769 41.087 42.059 -0.337 0.000 1.444 1118 L HN 0.771 nan 8.230 nan 0.000 0.456 1119 G N -0.803 107.915 108.800 -0.136 0.000 2.253 1119 G HA2 -0.328 3.576 3.960 -0.094 0.000 0.251 1119 G HA3 -0.328 3.576 3.960 -0.094 0.000 0.251 1119 G C 0.526 175.360 174.900 -0.110 0.000 0.998 1119 G CA 0.077 45.110 45.100 -0.113 0.000 0.621 1119 G HN 0.338 nan 8.290 nan 0.000 0.524 1120 K N 0.809 121.150 120.400 -0.099 0.000 2.494 1120 K HA 0.477 4.741 4.320 -0.094 0.000 0.273 1120 K C 0.661 177.151 176.600 -0.184 0.000 0.970 1120 K CA 0.150 56.370 56.287 -0.111 0.000 0.963 1120 K CB -0.002 32.452 32.500 -0.077 0.000 0.913 1120 K HN 0.386 nan 8.250 nan 0.000 0.502 1121 L N 4.422 125.515 121.223 -0.217 0.000 2.325 1121 L HA 0.515 4.799 4.340 -0.094 0.000 0.278 1121 L C 0.216 176.872 176.870 -0.358 0.000 1.023 1121 L CA -0.593 54.025 54.840 -0.369 0.000 0.811 1121 L CB 1.474 43.272 42.059 -0.436 0.000 1.249 1121 L HN 0.587 nan 8.230 nan 0.000 0.431 1122 M N 1.633 120.867 119.600 -0.611 0.000 2.846 1122 M HA 0.566 4.990 4.480 -0.094 0.000 0.282 1122 M C -1.254 174.802 176.300 -0.407 0.000 1.266 1122 M CA -0.842 54.116 55.300 -0.569 0.000 0.766 1122 M CB 2.577 34.674 32.600 -0.838 0.000 1.739 1122 M HN 0.310 nan 8.290 nan 0.000 0.442 1123 K N 0.468 120.805 120.400 -0.105 0.000 2.501 1123 K HA 0.647 4.910 4.320 -0.094 0.000 0.252 1123 K C -2.090 174.666 176.600 0.261 0.000 0.934 1123 K CA -0.368 56.006 56.287 0.146 0.000 0.797 1123 K CB 2.788 35.390 32.500 0.169 0.000 1.270 1123 K HN 0.532 nan 8.250 nan 0.000 0.431 1124 F N 3.520 123.393 119.950 -0.128 0.000 2.588 1124 F HA 0.474 4.994 4.527 -0.011 0.000 0.318 1124 F C -1.818 173.868 175.800 -0.189 0.000 1.155 1124 F CA -0.471 57.498 58.000 -0.051 0.000 0.967 1124 F CB 1.051 40.126 39.000 0.125 0.000 1.236 1124 F HN 0.476 nan 8.300 nan 0.000 0.455 1125 Y N 5.809 125.824 120.300 -0.475 0.000 2.524 1125 Y HA 0.751 5.306 4.550 0.009 0.000 0.344 1125 Y C -0.874 174.723 175.900 -0.505 0.000 1.012 1125 Y CA -1.591 56.295 58.100 -0.357 0.000 1.068 1125 Y CB 1.768 40.164 38.460 -0.108 0.000 1.249 1125 Y HN 0.514 nan 8.280 nan 0.000 0.468 1126 F N -0.565 119.306 119.950 -0.131 0.000 2.635 1126 F HA 0.774 5.237 4.527 -0.107 0.000 0.314 1126 F C -2.051 173.778 175.800 0.048 0.000 1.119 1126 F CA -1.480 56.484 58.000 -0.061 0.000 1.000 1126 F CB 0.935 39.926 39.000 -0.016 0.000 1.278 1126 F HN 0.271 nan 8.300 nan 0.000 0.446 1127 I N 4.132 124.819 120.570 0.194 0.000 2.362 1127 I HA 0.202 4.316 4.170 -0.094 0.000 0.289 1127 I C -1.093 175.103 176.117 0.132 0.000 0.994 1127 I CA -0.515 60.793 61.300 0.013 0.000 1.158 1127 I CB 1.294 39.212 38.000 -0.137 0.000 1.315 1127 I HN 0.725 nan 8.210 nan 0.000 0.451 1128 W N 7.332 128.606 121.300 -0.043 0.000 2.390 1128 W HA 0.361 4.955 4.660 -0.110 0.000 0.312 1128 W C -1.141 175.295 176.519 -0.139 0.000 1.123 1128 W CA -0.324 57.008 57.345 -0.022 0.000 1.202 1128 W CB 1.528 31.029 29.460 0.067 0.000 1.251 1128 W HN 0.479 nan 8.180 nan 0.000 0.511 1129 D N 4.840 124.934 120.400 -0.510 0.000 2.330 1129 D HA 0.548 5.132 4.640 -0.094 0.000 0.249 1129 D C -1.218 174.752 176.300 -0.551 0.000 1.306 1129 D CA -0.037 53.712 54.000 -0.418 0.000 0.956 1129 D CB 0.478 41.105 40.800 -0.288 0.000 1.261 1129 D HN 0.424 nan 8.370 nan 0.000 0.544 1130 A N 2.625 125.193 122.820 -0.419 0.000 2.568 1130 A HA 0.687 4.951 4.320 -0.094 0.000 0.291 1130 A C -1.510 176.046 177.584 -0.046 0.000 1.159 1130 A CA -0.699 51.172 52.037 -0.278 0.000 0.679 1130 A CB 1.184 19.949 19.000 -0.393 0.000 1.285 1130 A HN 0.319 nan 8.150 nan 0.000 0.428 1131 I N 1.848 122.420 120.570 0.004 0.000 2.359 1131 I HA 0.186 4.300 4.170 -0.094 0.000 0.284 1131 I C -0.102 176.079 176.117 0.107 0.000 1.018 1131 I CA -0.150 61.171 61.300 0.035 0.000 1.173 1131 I CB 0.831 38.833 38.000 0.003 0.000 1.326 1131 I HN 0.736 nan 8.210 nan 0.000 0.462 1132 D N 4.952 125.424 120.400 0.120 0.000 2.200 1132 D HA -0.240 4.343 4.640 -0.094 0.000 0.192 1132 D C 2.086 178.480 176.300 0.157 0.000 1.008 1132 D CA 1.874 55.964 54.000 0.149 0.000 0.872 1132 D CB 0.207 41.072 40.800 0.108 0.000 0.923 1132 D HN 0.682 nan 8.370 nan 0.000 0.447 1133 A N -0.496 122.401 122.820 0.129 0.000 2.125 1133 A HA -0.100 4.164 4.320 -0.094 0.000 0.219 1133 A C 1.934 179.664 177.584 0.242 0.000 1.156 1133 A CA 0.816 52.968 52.037 0.191 0.000 0.671 1133 A CB -0.305 18.826 19.000 0.218 0.000 0.794 1133 A HN 0.155 nan 8.150 nan 0.000 0.459 1134 I N -0.725 119.978 120.570 0.222 0.000 2.867 1134 I HA -0.075 4.039 4.170 -0.094 0.000 0.265 1134 I C 2.246 178.468 176.117 0.175 0.000 1.162 1134 I CA 1.025 62.441 61.300 0.193 0.000 1.471 1134 I CB -0.000 38.097 38.000 0.162 0.000 1.123 1134 I HN 0.236 nan 8.210 nan 0.000 0.440 1135 V N -2.034 117.998 119.914 0.197 0.000 3.235 1135 V HA 0.268 4.332 4.120 -0.094 0.000 0.259 1135 V C 2.138 178.363 176.094 0.218 0.000 1.133 1135 V CA 1.031 63.458 62.300 0.210 0.000 1.128 1135 V CB -0.969 31.013 31.823 0.266 0.000 0.757 1135 V HN 0.210 nan 8.190 nan 0.000 0.469 1136 A N 0.654 123.616 122.820 0.237 0.000 1.956 1136 A HA 0.499 4.763 4.320 -0.094 0.000 0.212 1136 A C 2.375 180.026 177.584 0.112 0.000 1.188 1136 A CA 1.214 53.440 52.037 0.315 0.000 0.675 1136 A CB -0.716 18.538 19.000 0.422 0.000 0.845 1136 A HN 0.760 nan 8.150 nan 0.000 0.455 1137 A N 0.861 123.732 122.820 0.086 0.000 1.940 1137 A HA -0.075 4.189 4.320 -0.094 0.000 0.219 1137 A C 0.374 177.951 177.584 -0.012 0.000 1.176 1137 A CA 1.928 53.968 52.037 0.005 0.000 0.631 1137 A CB -1.360 17.678 19.000 0.063 0.000 0.814 1137 A HN 0.517 nan 8.150 nan 0.000 0.446 1138 P HA -0.094 nan 4.420 nan 0.000 0.217 1138 P C 1.646 178.978 177.300 0.053 0.000 1.154 1138 P CA 0.750 63.898 63.100 0.080 0.000 0.841 1138 P CB -0.255 31.527 31.700 0.137 0.000 0.788 1139 L N -0.675 120.595 121.223 0.078 0.000 2.089 1139 L HA -0.193 4.090 4.340 -0.094 0.000 0.213 1139 L C 2.467 179.229 176.870 -0.180 0.000 1.079 1139 L CA 1.388 56.257 54.840 0.048 0.000 0.758 1139 L CB -1.162 41.057 42.059 0.268 0.000 0.891 1139 L HN -0.052 nan 8.230 nan 0.000 0.433 1140 I N -0.108 120.275 120.570 -0.311 0.000 2.454 1140 I HA -0.241 3.873 4.170 -0.094 0.000 0.254 1140 I C 2.405 178.406 176.117 -0.194 0.000 1.156 1140 I CA 1.476 62.559 61.300 -0.362 0.000 1.433 1140 I CB -0.935 36.821 38.000 -0.406 0.000 1.082 1140 I HN 0.271 nan 8.210 nan 0.000 0.432 1141 L N -0.499 120.635 121.223 -0.148 0.000 2.202 1141 L HA -0.039 4.245 4.340 -0.094 0.000 0.205 1141 L C 2.081 178.976 176.870 0.041 0.000 1.083 1141 L CA 0.648 55.420 54.840 -0.114 0.000 0.790 1141 L CB -0.687 41.300 42.059 -0.120 0.000 0.942 1141 L HN 0.101 nan 8.230 nan 0.000 0.452 1142 D N 1.006 121.425 120.400 0.032 0.000 2.123 1142 D HA -0.156 4.427 4.640 -0.094 0.000 0.196 1142 D C 2.301 178.606 176.300 0.009 0.000 0.992 1142 D CA 1.359 55.391 54.000 0.052 0.000 0.833 1142 D CB -0.017 40.892 40.800 0.182 0.000 0.954 1142 D HN 0.310 nan 8.370 nan 0.000 0.455 1143 I N 1.179 121.657 120.570 -0.153 0.000 2.179 1143 I HA -0.252 3.862 4.170 -0.094 0.000 0.242 1143 I C 2.544 178.704 176.117 0.072 0.000 1.088 1143 I CA 0.996 62.225 61.300 -0.119 0.000 1.357 1143 I CB -0.272 37.640 38.000 -0.145 0.000 1.051 1143 I HN -0.079 nan 8.210 nan 0.000 0.409 1144 A N 0.811 123.671 122.820 0.067 0.000 1.917 1144 A HA -0.240 4.024 4.320 -0.094 0.000 0.219 1144 A C 2.416 180.102 177.584 0.170 0.000 1.182 1144 A CA 1.740 53.858 52.037 0.135 0.000 0.633 1144 A CB -0.602 18.501 19.000 0.172 0.000 0.819 1144 A HN 0.336 nan 8.150 nan 0.000 0.448 1145 R N -2.078 118.504 120.500 0.138 0.000 2.073 1145 R HA 0.022 4.306 4.340 -0.094 0.000 0.229 1145 R C 1.874 178.208 176.300 0.056 0.000 1.120 1145 R CA 1.429 57.567 56.100 0.063 0.000 0.967 1145 R CB -0.374 29.912 30.300 -0.023 0.000 0.862 1145 R HN 0.601 nan 8.270 nan 0.000 0.436 1146 F N 0.489 120.555 119.950 0.192 0.000 2.325 1146 F HA -0.089 4.381 4.527 -0.094 0.000 0.299 1146 F C 2.101 178.159 175.800 0.431 0.000 1.090 1146 F CA 0.700 58.893 58.000 0.322 0.000 1.392 1146 F CB 0.065 39.191 39.000 0.210 0.000 1.053 1146 F HN -0.024 nan 8.300 nan 0.000 0.521 1147 L N -1.006 120.476 121.223 0.432 0.000 2.209 1147 L HA -0.138 4.146 4.340 -0.094 0.000 0.207 1147 L C 2.189 179.238 176.870 0.298 0.000 1.094 1147 L CA 0.214 55.260 54.840 0.344 0.000 0.790 1147 L CB -0.215 41.987 42.059 0.239 0.000 0.932 1147 L HN 0.147 nan 8.230 nan 0.000 0.447 1148 L N -0.665 120.720 121.223 0.270 0.000 2.044 1148 L HA -0.199 4.085 4.340 -0.094 0.000 0.205 1148 L C 2.259 179.277 176.870 0.246 0.000 1.075 1148 L CA 1.710 56.678 54.840 0.212 0.000 0.747 1148 L CB -0.807 41.352 42.059 0.166 0.000 0.903 1148 L HN 0.150 nan 8.230 nan 0.000 0.435 1149 F N 0.427 120.488 119.950 0.185 0.000 2.043 1149 F HA -0.325 4.146 4.527 -0.093 0.000 0.297 1149 F C 2.345 178.208 175.800 0.106 0.000 1.121 1149 F CA 2.285 60.380 58.000 0.159 0.000 1.199 1149 F CB -0.616 38.543 39.000 0.264 0.000 0.968 1149 F HN 0.149 nan 8.300 nan 0.000 0.478 1150 A N 0.550 123.588 122.820 0.363 0.000 1.873 1150 A HA -0.309 3.954 4.320 -0.094 0.000 0.218 1150 A C 2.366 179.980 177.584 0.050 0.000 1.193 1150 A CA 2.180 54.376 52.037 0.265 0.000 0.629 1150 A CB -1.122 18.222 19.000 0.573 0.000 0.826 1150 A HN 0.500 nan 8.150 nan 0.000 0.447 1151 K N -0.138 120.320 120.400 0.097 0.000 2.044 1151 K HA -0.221 4.043 4.320 -0.094 0.000 0.210 1151 K C 2.010 178.585 176.600 -0.041 0.000 1.049 1151 K CA 2.081 58.398 56.287 0.049 0.000 0.927 1151 K CB -0.249 32.298 32.500 0.078 0.000 0.713 1151 K HN 0.524 nan 8.250 nan 0.000 0.443 1152 K N 0.082 120.421 120.400 -0.101 0.000 2.211 1152 K HA -0.052 4.212 4.320 -0.094 0.000 0.203 1152 K C 1.367 177.793 176.600 -0.290 0.000 1.050 1152 K CA 0.742 56.930 56.287 -0.165 0.000 0.945 1152 K CB 0.120 32.534 32.500 -0.143 0.000 0.732 1152 K HN -0.050 nan 8.250 nan 0.000 0.451 1153 K N 0.151 120.291 120.400 -0.433 0.000 2.589 1153 K HA 0.071 4.335 4.320 -0.094 0.000 0.204 1153 K C 0.711 177.164 176.600 -0.245 0.000 1.029 1153 K CA 0.329 56.338 56.287 -0.463 0.000 1.177 1153 K CB -0.015 32.056 32.500 -0.715 0.000 0.902 1153 K HN 0.380 nan 8.250 nan 0.000 0.501 1154 G N 0.683 109.392 108.800 -0.152 0.000 2.166 1154 G HA2 -0.274 3.630 3.960 -0.094 0.000 0.260 1154 G HA3 -0.274 3.630 3.960 -0.094 0.000 0.260 1154 G C 0.251 175.136 174.900 -0.025 0.000 0.986 1154 G CA 0.369 45.424 45.100 -0.075 0.000 0.683 1154 G HN 0.182 nan 8.290 nan 0.000 0.527 1155 V N 1.386 121.298 119.914 -0.003 0.000 2.529 1155 V HA 0.443 4.507 4.120 -0.094 0.000 0.292 1155 V C 0.849 177.002 176.094 0.098 0.000 1.028 1155 V CA 1.114 63.468 62.300 0.089 0.000 1.074 1155 V CB 0.843 32.793 31.823 0.211 0.000 0.958 1155 V HN 0.788 nan 8.190 nan 0.000 0.481 1156 K N 3.418 123.876 120.400 0.097 0.000 2.197 1156 K HA 0.886 5.150 4.320 -0.094 0.000 0.247 1156 K C 0.530 177.193 176.600 0.105 0.000 1.077 1156 K CA -0.269 56.078 56.287 0.101 0.000 0.882 1156 K CB 1.426 33.970 32.500 0.075 0.000 1.396 1156 K HN 1.012 nan 8.250 nan 0.000 0.482 1157 G N -0.004 108.874 108.800 0.130 0.000 2.564 1157 G HA2 -0.254 3.650 3.960 -0.094 0.000 0.273 1157 G HA3 -0.254 3.650 3.960 -0.094 0.000 0.273 1157 G C -0.560 174.315 174.900 -0.040 0.000 1.242 1157 G CA 0.043 45.212 45.100 0.115 0.000 0.951 1157 G HN 0.576 nan 8.290 nan 0.000 0.564 1158 V N 0.068 119.872 119.914 -0.183 0.000 2.617 1158 V HA 0.516 4.579 4.120 -0.094 0.000 0.298 1158 V C 0.806 176.810 176.094 -0.150 0.000 1.048 1158 V CA -0.373 61.694 62.300 -0.390 0.000 0.964 1158 V CB 1.693 33.292 31.823 -0.374 0.000 1.004 1158 V HN 0.920 nan 8.190 nan 0.000 0.466 1159 V N 4.223 124.049 119.914 -0.146 0.000 2.247 1159 V HA 0.203 4.266 4.120 -0.094 0.000 0.262 1159 V C 0.851 176.854 176.094 -0.152 0.000 1.096 1159 V CA -0.426 61.807 62.300 -0.110 0.000 0.895 1159 V CB 0.036 31.795 31.823 -0.107 0.000 1.141 1159 V HN 0.920 nan 8.190 nan 0.000 0.478 1160 K N 1.519 121.849 120.400 -0.117 0.000 2.525 1160 K HA 0.024 4.288 4.320 -0.094 0.000 0.192 1160 K C 0.958 177.484 176.600 -0.124 0.000 1.029 1160 K CA 0.451 56.686 56.287 -0.086 0.000 1.029 1160 K CB 0.213 32.687 32.500 -0.044 0.000 0.814 1160 K HN 0.498 nan 8.250 nan 0.000 0.503 1161 E N 0.091 120.116 120.200 -0.292 0.000 2.474 1161 E HA 0.147 4.441 4.350 -0.094 0.000 0.195 1161 E C 0.877 177.236 176.600 -0.401 0.000 1.039 1161 E CA 0.268 56.439 56.400 -0.382 0.000 0.881 1161 E CB 0.272 29.577 29.700 -0.658 0.000 0.970 1161 E HN 0.203 nan 8.360 nan 0.000 0.486 1162 M N -0.369 119.081 119.600 -0.250 0.000 2.383 1162 M HA 0.247 4.671 4.480 -0.094 0.000 0.247 1162 M C 1.649 178.086 176.300 0.229 0.000 1.117 1162 M CA -0.092 55.212 55.300 0.006 0.000 0.995 1162 M CB 0.403 33.065 32.600 0.102 0.000 1.480 1162 M HN 0.213 nan 8.290 nan 0.000 0.485 1163 A N 0.717 123.611 122.820 0.124 0.000 1.940 1163 A HA -0.280 3.984 4.320 -0.094 0.000 0.221 1163 A C 1.813 179.428 177.584 0.051 0.000 1.190 1163 A CA 1.822 53.943 52.037 0.140 0.000 0.647 1163 A CB -1.212 17.818 19.000 0.050 0.000 0.821 1163 A HN 0.659 nan 8.150 nan 0.000 0.457 1164 F N -0.978 118.839 119.950 -0.221 0.000 2.204 1164 F HA -0.287 4.185 4.527 -0.093 0.000 0.301 1164 F C 1.496 176.937 175.800 -0.598 0.000 1.058 1164 F CA 2.029 59.761 58.000 -0.445 0.000 1.313 1164 F CB -0.129 38.446 39.000 -0.708 0.000 1.051 1164 F HN 0.278 nan 8.300 nan 0.000 0.505 1165 F N -2.080 117.567 119.950 -0.506 0.000 2.717 1165 F HA 0.237 4.707 4.527 -0.094 0.000 0.295 1165 F C 0.265 175.568 175.800 -0.827 0.000 1.117 1165 F CA -0.276 57.239 58.000 -0.807 0.000 1.361 1165 F CB -0.195 38.201 39.000 -1.007 0.000 1.112 1165 F HN -0.313 nan 8.300 nan 0.000 0.594 1166 F N 0.362 120.299 119.950 -0.022 0.000 2.523 1166 F HA 0.382 4.853 4.527 -0.093 0.000 0.329 1166 F C 1.020 176.736 175.800 -0.140 0.000 1.061 1166 F CA -1.034 56.911 58.000 -0.092 0.000 0.967 1166 F CB 1.323 40.305 39.000 -0.030 0.000 1.218 1166 F HN -0.314 nan 8.300 nan 0.000 0.480 1167 K N -0.980 119.444 120.400 0.041 0.000 2.380 1167 K HA 0.257 4.521 4.320 -0.094 0.000 0.198 1167 K C 0.066 176.641 176.600 -0.042 0.000 1.070 1167 K CA 0.161 56.414 56.287 -0.056 0.000 1.040 1167 K CB 0.705 33.139 32.500 -0.110 0.000 0.903 1167 K HN 0.303 nan 8.250 nan 0.000 0.549 1168 S N 2.706 118.400 115.700 -0.008 0.000 2.143 1168 S HA 0.293 4.707 4.470 -0.094 0.000 0.188 1168 S C -2.655 171.936 174.600 -0.014 0.000 1.431 1168 S CA -1.106 57.078 58.200 -0.026 0.000 1.253 1168 S CB 0.658 63.833 63.200 -0.042 0.000 1.137 1168 S HN 0.019 nan 8.310 nan 0.000 0.457 1169 P HA 0.109 nan 4.420 nan 0.000 0.265 1169 P C -0.087 177.200 177.300 -0.023 0.000 1.193 1169 P CA 0.064 63.178 63.100 0.024 0.000 0.765 1169 P CB 0.353 32.079 31.700 0.042 0.000 0.823 1170 M N 2.103 121.674 119.600 -0.048 0.000 2.240 1170 M HA 0.050 4.474 4.480 -0.094 0.000 0.333 1170 M C 0.450 176.727 176.300 -0.038 0.000 1.110 1170 M CA 0.460 55.731 55.300 -0.048 0.000 1.173 1170 M CB -0.127 32.436 32.600 -0.061 0.000 1.458 1170 M HN 0.387 nan 8.290 nan 0.000 0.458 1171 D N -0.073 120.309 120.400 -0.031 0.000 2.733 1171 D HA -0.178 4.406 4.640 -0.094 0.000 0.232 1171 D C -0.324 175.964 176.300 -0.019 0.000 1.161 1171 D CA 1.266 55.252 54.000 -0.023 0.000 0.653 1171 D CB -1.385 39.401 40.800 -0.024 0.000 1.052 1171 D HN 0.695 nan 8.370 nan 0.000 0.424 1172 T N -1.355 113.188 114.554 -0.019 0.000 2.886 1172 T HA 0.491 4.785 4.350 -0.094 0.000 0.330 1172 T C -1.332 173.358 174.700 -0.018 0.000 1.488 1172 T CA -0.841 61.250 62.100 -0.015 0.000 1.054 1172 T CB 1.377 70.237 68.868 -0.013 0.000 1.348 1172 T HN -0.020 nan 8.240 nan 0.000 0.489 1173 N N 2.333 121.023 118.700 -0.017 0.000 2.660 1173 N HA 0.444 5.128 4.740 -0.094 0.000 0.316 1173 N C -1.225 174.273 175.510 -0.019 0.000 1.774 1173 N CA -0.188 52.849 53.050 -0.022 0.000 0.946 1173 N CB 0.606 39.080 38.487 -0.021 0.000 1.322 1173 N HN 0.371 nan 8.380 nan 0.000 0.492 1174 V N 2.036 121.940 119.914 -0.017 0.000 2.311 1174 V HA 0.299 4.363 4.120 -0.094 0.000 0.275 1174 V C 0.367 176.448 176.094 -0.021 0.000 1.022 1174 V CA -0.406 61.886 62.300 -0.014 0.000 0.830 1174 V CB 0.990 32.809 31.823 -0.007 0.000 1.012 1174 V HN 0.305 nan 8.190 nan 0.000 0.452 1175 I N 2.071 122.621 120.570 -0.034 0.000 3.883 1175 I HA 0.161 4.274 4.170 -0.094 0.000 0.305 1175 I C 1.275 177.360 176.117 -0.053 0.000 1.247 1175 I CA -0.002 61.264 61.300 -0.057 0.000 1.350 1175 I CB -0.467 37.480 38.000 -0.088 0.000 1.194 1175 I HN 0.597 nan 8.210 nan 0.000 0.441 1176 N N 1.951 120.635 118.700 -0.028 0.000 2.365 1176 N HA -0.088 4.596 4.740 -0.094 0.000 0.265 1176 N C 0.959 176.491 175.510 0.036 0.000 1.288 1176 N CA 0.651 53.699 53.050 -0.003 0.000 0.869 1176 N CB 1.122 39.633 38.487 0.040 0.000 1.071 1176 N HN 0.130 nan 8.380 nan 0.000 0.480 1177 T N 3.316 117.888 114.554 0.031 0.000 2.595 1177 T HA -0.219 4.074 4.350 -0.094 0.000 0.264 1177 T C 1.503 176.349 174.700 0.243 0.000 1.058 1177 T CA 1.328 63.485 62.100 0.095 0.000 1.166 1177 T CB -0.569 68.312 68.868 0.021 0.000 0.863 1177 T HN 0.732 nan 8.240 nan 0.000 0.415 1178 H N 0.572 119.710 119.070 0.114 0.000 2.543 1178 H HA 0.031 4.531 4.556 -0.094 0.000 0.286 1178 H C 2.154 177.585 175.328 0.172 0.000 1.037 1178 H CA 0.975 57.124 56.048 0.167 0.000 1.250 1178 H CB 0.140 29.971 29.762 0.115 0.000 1.373 1178 H HN 0.463 nan 8.280 nan 0.000 0.580 1179 E N -0.198 120.020 120.200 0.031 0.000 2.276 1179 E HA -0.066 4.228 4.350 -0.094 0.000 0.193 1179 E C 2.073 178.660 176.600 -0.023 0.000 0.983 1179 E CA 0.047 56.403 56.400 -0.072 0.000 0.861 1179 E CB 0.418 30.108 29.700 -0.016 0.000 0.817 1179 E HN 0.640 nan 8.360 nan 0.000 0.485 1180 Q N -0.380 119.464 119.800 0.074 0.000 2.137 1180 Q HA -0.121 4.163 4.340 -0.094 0.000 0.198 1180 Q C 1.894 177.935 176.000 0.068 0.000 0.960 1180 Q CA 0.865 56.726 55.803 0.097 0.000 0.847 1180 Q CB -0.142 28.705 28.738 0.181 0.000 0.915 1180 Q HN 0.254 nan 8.270 nan 0.000 0.448 1181 F N 1.295 121.210 119.950 -0.058 0.000 2.234 1181 F HA -0.138 4.334 4.527 -0.090 0.000 0.299 1181 F C 1.871 177.518 175.800 -0.254 0.000 1.087 1181 F CA 0.743 58.534 58.000 -0.349 0.000 1.340 1181 F CB -0.011 38.851 39.000 -0.230 0.000 1.031 1181 F HN -0.223 nan 8.300 nan 0.000 0.500 1182 V N -0.755 118.997 119.914 -0.271 0.000 2.323 1182 V HA -0.229 3.835 4.120 -0.094 0.000 0.244 1182 V C 2.430 178.380 176.094 -0.240 0.000 1.041 1182 V CA 1.513 63.602 62.300 -0.352 0.000 1.025 1182 V CB -0.696 30.935 31.823 -0.320 0.000 0.656 1182 V HN 0.197 nan 8.190 nan 0.000 0.451 1183 V N 0.026 119.856 119.914 -0.139 0.000 2.324 1183 V HA -0.293 3.771 4.120 -0.094 0.000 0.250 1183 V C 2.440 178.521 176.094 -0.021 0.000 1.060 1183 V CA 2.403 64.673 62.300 -0.051 0.000 1.042 1183 V CB -0.564 31.238 31.823 -0.034 0.000 0.650 1183 V HN 0.551 nan 8.190 nan 0.000 0.450 1184 L N -0.141 121.007 121.223 -0.125 0.000 2.042 1184 L HA -0.203 4.080 4.340 -0.094 0.000 0.210 1184 L C 2.417 179.363 176.870 0.127 0.000 1.076 1184 L CA 2.082 56.856 54.840 -0.111 0.000 0.749 1184 L CB -0.592 41.270 42.059 -0.329 0.000 0.893 1184 L HN 0.192 nan 8.230 nan 0.000 0.432 1185 K N -0.515 119.818 120.400 -0.111 0.000 2.026 1185 K HA -0.161 4.103 4.320 -0.094 0.000 0.208 1185 K C 1.980 178.662 176.600 0.137 0.000 1.048 1185 K CA 1.932 58.102 56.287 -0.196 0.000 0.929 1185 K CB -0.132 31.855 32.500 -0.856 0.000 0.713 1185 K HN 0.459 nan 8.250 nan 0.000 0.439 1186 E N -0.808 119.429 120.200 0.061 0.000 2.427 1186 E HA -0.162 4.132 4.350 -0.094 0.000 0.196 1186 E C 1.408 178.145 176.600 0.228 0.000 1.028 1186 E CA 0.269 56.739 56.400 0.118 0.000 0.864 1186 E CB 0.053 29.774 29.700 0.036 0.000 0.813 1186 E HN 0.378 nan 8.360 nan 0.000 0.514 1187 W N 0.519 121.885 121.300 0.110 0.000 2.413 1187 W HA -0.243 4.361 4.660 -0.093 0.000 0.315 1187 W C 2.037 178.705 176.519 0.248 0.000 1.186 1187 W CA 1.442 58.877 57.345 0.149 0.000 1.326 1187 W CB -0.707 28.832 29.460 0.133 0.000 1.153 1187 W HN 0.059 nan 8.180 nan 0.000 0.489 1188 Y N 1.600 122.057 120.300 0.261 0.000 2.081 1188 Y HA -0.314 4.181 4.550 -0.093 0.000 0.280 1188 Y C 2.711 178.636 175.900 0.042 0.000 1.163 1188 Y CA 2.931 61.075 58.100 0.073 0.000 1.135 1188 Y CB -0.994 37.735 38.460 0.449 0.000 0.970 1188 Y HN -0.070 nan 8.280 nan 0.000 0.498 1189 S N 0.643 116.471 115.700 0.214 0.000 2.378 1189 S HA -0.274 4.140 4.470 -0.094 0.000 0.229 1189 S C 1.562 176.121 174.600 -0.068 0.000 1.052 1189 S CA 1.707 59.943 58.200 0.061 0.000 1.084 1189 S CB -0.589 62.703 63.200 0.153 0.000 0.950 1189 S HN 0.547 nan 8.310 nan 0.000 0.440 1190 N N 0.737 119.404 118.700 -0.054 0.000 2.626 1190 N HA 0.114 4.798 4.740 -0.094 0.000 0.193 1190 N C 0.852 176.245 175.510 -0.194 0.000 1.213 1190 N CA 0.431 53.425 53.050 -0.094 0.000 0.914 1190 N CB -0.007 38.453 38.487 -0.045 0.000 0.994 1190 N HN 0.382 nan 8.380 nan 0.000 0.447 1191 L N -1.120 119.936 121.223 -0.279 0.000 3.017 1191 L HA 0.168 4.452 4.340 -0.094 0.000 0.265 1191 L C 0.971 177.653 176.870 -0.313 0.000 1.128 1191 L CA -0.157 54.478 54.840 -0.342 0.000 0.984 1191 L CB 0.493 42.252 42.059 -0.499 0.000 1.464 1191 L HN -0.144 nan 8.230 nan 0.000 0.556 1192 K N 0.000 120.215 120.400 -0.308 0.000 2.780 1192 K HA 0.000 4.264 4.320 -0.094 0.000 0.191 1192 K CA 0.000 56.130 56.287 -0.261 0.000 0.838 1192 K CB 0.000 32.318 32.500 -0.304 0.000 1.064 1192 K HN 0.000 nan 8.250 nan 0.000 0.543