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 3n2c_1_B DATA FIRST_RESID 2 DATA SEQUENCE TITVLQGGNV LDLERGVLLE HHHVVIDGER IVEVTDRPVD LPNAQAIDVR DATA SEQUENCE GKTVMPGFID CHVHVLASNA NLGVNATQPN ILAAIRSLPI LDAMLSRGFT DATA SEQUENCE SVRDAGGADW SLMQAVETGL VSGPRIFPSG KALSQTGGHG DFRPRGDLLE DATA SEQUENCE PCSCCFRTGA IARVVDGVEG VRLAVREEIQ KGATQIXIMA SGGVASPTDP DATA SEQUENCE IANTQYSEDE IRAIVDEAEA ANTYVMAHAY TGRAIARAVR CGVRTIEHGN DATA SEQUENCE LVDEAAAKLM HEHGAFVVPT LVTYDALAKH GAEFGMPPES VAKVASVQQK DATA SEQUENCE GRESLEIYAN AGVKMGFGSD LLGEMHAFQS GEFRIRAEVL GNLEALRSAT DATA SEQUENCE TVAAEIVNMQ GQLGVIAVGA IADLVVLDGN PLEDIGVVAD EGARVEYVLQ DATA SEQUENCE RGTLVKRQ 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.692 174.700 -0.013 0.000 1.109 2 T CA 0.000 62.093 62.100 -0.011 0.000 1.349 2 T CB 0.000 68.862 68.868 -0.009 0.000 0.612 3 I N 2.555 123.116 120.570 -0.015 0.000 2.389 3 I HA 0.678 4.848 4.170 0.000 0.000 0.288 3 I C -1.321 174.784 176.117 -0.021 0.000 0.999 3 I CA -0.077 61.213 61.300 -0.017 0.000 1.129 3 I CB 1.818 39.808 38.000 -0.016 0.000 1.288 3 I HN 0.148 nan 8.210 nan 0.000 0.444 4 T N 6.317 120.858 114.554 -0.023 0.000 2.841 4 T HA 0.510 4.860 4.350 0.000 0.000 0.283 4 T C -0.865 173.816 174.700 -0.031 0.000 1.000 4 T CA -0.450 61.632 62.100 -0.030 0.000 0.977 4 T CB 1.860 70.709 68.868 -0.032 0.000 0.979 4 T HN 0.230 nan 8.240 nan 0.000 0.446 5 V N 4.539 124.430 119.914 -0.038 0.000 2.378 5 V HA 0.397 4.518 4.120 0.000 0.000 0.288 5 V C -0.180 175.892 176.094 -0.037 0.000 1.016 5 V CA -0.837 61.444 62.300 -0.032 0.000 0.840 5 V CB 1.334 33.130 31.823 -0.046 0.000 0.994 5 V HN 0.744 nan 8.190 nan 0.000 0.431 6 L N 6.230 127.439 121.223 -0.023 0.000 2.313 6 L HA 0.466 4.806 4.340 0.000 0.000 0.282 6 L C 0.273 177.175 176.870 0.053 0.000 1.092 6 L CA -0.088 54.733 54.840 -0.031 0.000 0.831 6 L CB 0.923 42.954 42.059 -0.047 0.000 1.159 6 L HN 0.757 nan 8.230 nan 0.000 0.442 7 Q N 2.149 121.988 119.800 0.065 0.000 2.340 7 Q HA 0.585 4.925 4.340 0.000 0.000 0.268 7 Q C 0.478 176.597 176.000 0.198 0.000 1.031 7 Q CA -0.335 55.611 55.803 0.238 0.000 0.804 7 Q CB 2.128 30.939 28.738 0.122 0.000 1.286 7 Q HN 0.791 nan 8.270 nan 0.000 0.448 8 G N 1.935 110.867 108.800 0.220 0.000 2.176 8 G HA2 -0.261 3.700 3.960 0.000 0.000 0.253 8 G HA3 -0.261 3.700 3.960 0.000 0.000 0.253 8 G C 0.417 175.295 174.900 -0.037 0.000 0.979 8 G CA -0.278 44.874 45.100 0.087 0.000 0.641 8 G HN 1.029 nan 8.290 nan 0.000 0.530 9 G N -0.343 108.429 108.800 -0.047 0.000 2.634 9 G HA2 0.456 4.417 3.960 0.000 0.000 0.255 9 G HA3 0.456 4.417 3.960 0.000 0.000 0.255 9 G C -0.058 174.785 174.900 -0.094 0.000 1.205 9 G CA -0.077 44.980 45.100 -0.072 0.000 0.884 9 G HN 0.569 nan 8.290 nan 0.000 0.549 10 N N -0.267 118.377 118.700 -0.093 0.000 2.589 10 N HA 0.338 5.078 4.740 0.000 0.000 0.232 10 N C -0.486 174.988 175.510 -0.059 0.000 1.015 10 N CA -0.597 52.404 53.050 -0.081 0.000 0.931 10 N CB 2.171 40.599 38.487 -0.098 0.000 1.150 10 N HN 0.211 nan 8.380 nan 0.000 0.512 11 V N 2.791 122.670 119.914 -0.058 0.000 2.585 11 V HA -0.007 4.113 4.120 0.000 0.000 0.296 11 V C 0.568 176.615 176.094 -0.078 0.000 1.035 11 V CA -0.238 62.020 62.300 -0.070 0.000 1.084 11 V CB 0.696 32.465 31.823 -0.089 0.000 0.953 11 V HN 0.624 nan 8.190 nan 0.000 0.483 12 L N 5.077 126.269 121.223 -0.053 0.000 2.281 12 L HA 0.338 4.678 4.340 0.000 0.000 0.285 12 L C 0.193 177.040 176.870 -0.039 0.000 1.074 12 L CA -0.025 54.792 54.840 -0.038 0.000 0.817 12 L CB 0.729 42.779 42.059 -0.015 0.000 1.168 12 L HN 0.655 nan 8.230 nan 0.000 0.434 13 D N 4.930 125.304 120.400 -0.043 0.000 2.412 13 D HA 0.177 4.817 4.640 0.000 0.000 0.224 13 D C 0.653 176.947 176.300 -0.010 0.000 1.093 13 D CA -0.294 53.685 54.000 -0.035 0.000 0.850 13 D CB 1.581 42.348 40.800 -0.054 0.000 1.046 13 D HN 0.475 nan 8.370 nan 0.000 0.507 14 L N 3.023 124.249 121.223 0.005 0.000 2.446 14 L HA -0.004 4.336 4.340 0.000 0.000 0.219 14 L C 2.231 179.115 176.870 0.023 0.000 1.116 14 L CA 0.394 55.247 54.840 0.023 0.000 0.844 14 L CB 0.147 42.229 42.059 0.039 0.000 0.970 14 L HN 0.310 nan 8.230 nan 0.000 0.457 15 E N 0.577 120.785 120.200 0.014 0.000 2.072 15 E HA -0.119 4.231 4.350 0.000 0.000 0.190 15 E C 2.140 178.746 176.600 0.010 0.000 0.982 15 E CA 1.001 57.409 56.400 0.014 0.000 0.803 15 E CB -0.071 29.634 29.700 0.009 0.000 0.755 15 E HN 0.524 nan 8.360 nan 0.000 0.453 16 R N -0.303 120.198 120.500 0.002 0.000 2.112 16 R HA 0.122 4.462 4.340 0.000 0.000 0.216 16 R C 1.311 177.614 176.300 0.004 0.000 1.080 16 R CA 0.766 56.866 56.100 0.000 0.000 0.996 16 R CB 0.233 30.527 30.300 -0.010 0.000 0.902 16 R HN 0.286 nan 8.270 nan 0.000 0.449 17 G N 0.798 109.601 108.800 0.004 0.000 2.131 17 G HA2 -0.200 3.760 3.960 0.000 0.000 0.201 17 G HA3 -0.200 3.760 3.960 0.000 0.000 0.201 17 G C -0.107 174.795 174.900 0.003 0.000 1.000 17 G CA -0.038 45.068 45.100 0.010 0.000 0.680 17 G HN 0.259 nan 8.290 nan 0.000 0.514 18 V N -2.704 117.205 119.914 -0.008 0.000 3.114 18 V HA 0.804 4.924 4.120 0.000 0.000 0.308 18 V C 0.626 176.703 176.094 -0.029 0.000 1.168 18 V CA -1.708 60.584 62.300 -0.014 0.000 1.015 18 V CB 1.956 33.772 31.823 -0.013 0.000 1.050 18 V HN 0.291 nan 8.190 nan 0.000 0.433 19 L N 2.148 123.353 121.223 -0.030 0.000 2.416 19 L HA 0.391 4.731 4.340 0.000 0.000 0.272 19 L C -0.439 176.395 176.870 -0.060 0.000 1.161 19 L CA -0.219 54.594 54.840 -0.045 0.000 0.845 19 L CB 0.821 42.858 42.059 -0.038 0.000 1.119 19 L HN 0.541 nan 8.230 nan 0.000 0.464 20 L N 4.556 125.714 121.223 -0.108 0.000 2.360 20 L HA 0.230 4.571 4.340 0.000 0.000 0.265 20 L C 0.401 177.265 176.870 -0.010 0.000 1.066 20 L CA -0.655 54.078 54.840 -0.179 0.000 0.929 20 L CB 0.390 42.150 42.059 -0.498 0.000 1.306 20 L HN 0.606 nan 8.230 nan 0.000 0.434 21 E N 2.567 122.817 120.200 0.084 0.000 2.404 21 E HA -0.016 4.334 4.350 0.000 0.000 0.261 21 E C 0.141 176.832 176.600 0.151 0.000 1.074 21 E CA -0.427 55.997 56.400 0.039 0.000 0.917 21 E CB 0.348 30.027 29.700 -0.034 0.000 0.965 21 E HN 0.503 nan 8.360 nan 0.000 0.433 22 H N -0.340 118.729 119.070 -0.002 0.000 2.822 22 H HA -0.171 4.385 4.556 0.000 0.000 0.295 22 H C -0.699 174.397 175.328 -0.387 0.000 1.151 22 H CA 1.267 57.225 56.048 -0.150 0.000 1.151 22 H CB -2.014 27.666 29.762 -0.137 0.000 1.343 22 H HN 0.531 nan 8.280 nan 0.000 0.382 23 H N 0.517 119.446 119.070 -0.235 0.000 2.473 23 H HA 0.277 4.833 4.556 0.000 0.000 0.327 23 H C 0.748 175.882 175.328 -0.323 0.000 1.105 23 H CA -0.292 55.580 56.048 -0.294 0.000 1.280 23 H CB 0.741 30.429 29.762 -0.124 0.000 1.450 23 H HN 0.238 nan 8.280 nan 0.000 0.492 24 H N 1.981 121.101 119.070 0.083 0.000 2.467 24 H HA 0.288 4.845 4.556 0.000 0.000 0.331 24 H C -0.415 174.938 175.328 0.041 0.000 1.120 24 H CA -0.678 55.393 56.048 0.038 0.000 1.270 24 H CB 1.123 30.889 29.762 0.006 0.000 1.466 24 H HN 0.253 nan 8.280 nan 0.000 0.504 25 V N 3.572 123.559 119.914 0.122 0.000 2.398 25 V HA 0.152 4.272 4.120 0.000 0.000 0.286 25 V C 0.301 176.423 176.094 0.046 0.000 1.026 25 V CA -0.807 61.532 62.300 0.065 0.000 0.868 25 V CB 1.552 33.389 31.823 0.022 0.000 0.982 25 V HN 0.450 nan 8.190 nan 0.000 0.443 26 V N 6.119 126.056 119.914 0.038 0.000 2.347 26 V HA 0.458 4.578 4.120 0.000 0.000 0.280 26 V C -0.098 175.999 176.094 0.005 0.000 1.021 26 V CA -0.426 61.884 62.300 0.016 0.000 0.847 26 V CB 1.423 33.255 31.823 0.015 0.000 0.990 26 V HN 0.597 nan 8.190 nan 0.000 0.444 27 I N 3.691 124.258 120.570 -0.006 0.000 2.359 27 I HA 0.497 4.668 4.170 0.000 0.000 0.294 27 I C -0.422 175.689 176.117 -0.010 0.000 0.987 27 I CA -0.397 60.898 61.300 -0.009 0.000 1.225 27 I CB 1.593 39.583 38.000 -0.016 0.000 1.366 27 I HN 0.616 nan 8.210 nan 0.000 0.466 28 D N 3.795 124.191 120.400 -0.007 0.000 2.549 28 D HA 0.562 5.202 4.640 0.000 0.000 0.251 28 D C 0.652 176.948 176.300 -0.007 0.000 1.153 28 D CA 0.567 54.562 54.000 -0.008 0.000 0.861 28 D CB 1.544 42.341 40.800 -0.005 0.000 1.207 28 D HN 0.852 nan 8.370 nan 0.000 0.543 29 G N 4.204 112.998 108.800 -0.009 0.000 2.675 29 G HA2 -0.337 3.623 3.960 0.000 0.000 0.312 29 G HA3 -0.337 3.623 3.960 0.000 0.000 0.312 29 G C 0.691 175.585 174.900 -0.010 0.000 1.186 29 G CA 0.537 45.632 45.100 -0.009 0.000 0.965 29 G HN 0.574 nan 8.290 nan 0.000 0.548 30 E N 1.097 121.292 120.200 -0.008 0.000 2.526 30 E HA 0.235 4.586 4.350 0.000 0.000 0.208 30 E C 0.922 177.518 176.600 -0.006 0.000 0.997 30 E CA -0.121 56.274 56.400 -0.009 0.000 0.961 30 E CB 0.820 30.514 29.700 -0.009 0.000 1.030 30 E HN 0.410 nan 8.360 nan 0.000 0.483 31 R N 0.770 121.268 120.500 -0.004 0.000 2.807 31 R HA 0.506 4.847 4.340 0.000 0.000 0.276 31 R C -0.428 175.872 176.300 -0.001 0.000 0.979 31 R CA -0.836 55.264 56.100 -0.000 0.000 0.928 31 R CB 2.093 32.395 30.300 0.003 0.000 1.191 31 R HN -0.060 nan 8.270 nan 0.000 0.471 32 I N 2.395 122.966 120.570 0.002 0.000 2.352 32 I HA 0.032 4.202 4.170 0.000 0.000 0.290 32 I C 1.033 177.155 176.117 0.008 0.000 1.036 32 I CA -0.100 61.203 61.300 0.004 0.000 1.336 32 I CB 1.310 39.312 38.000 0.004 0.000 1.407 32 I HN 0.444 nan 8.210 nan 0.000 0.497 33 V N 3.867 123.787 119.914 0.009 0.000 3.212 33 V HA 0.159 4.279 4.120 0.000 0.000 0.244 33 V C 0.551 176.656 176.094 0.018 0.000 1.151 33 V CA 0.367 62.674 62.300 0.011 0.000 1.119 33 V CB -0.116 31.711 31.823 0.007 0.000 0.838 33 V HN 0.756 nan 8.190 nan 0.000 0.470 34 E N 0.397 120.611 120.200 0.024 0.000 2.274 34 E HA 0.509 4.860 4.350 0.000 0.000 0.269 34 E C -1.873 174.761 176.600 0.058 0.000 0.891 34 E CA -0.280 56.143 56.400 0.038 0.000 0.784 34 E CB 2.546 32.267 29.700 0.036 0.000 1.225 34 E HN 0.066 nan 8.360 nan 0.000 0.412 35 V N 3.893 123.847 119.914 0.066 0.000 2.313 35 V HA 0.474 4.594 4.120 0.000 0.000 0.278 35 V C -0.101 176.084 176.094 0.151 0.000 1.017 35 V CA -0.395 61.962 62.300 0.094 0.000 0.823 35 V CB 1.208 33.063 31.823 0.055 0.000 1.010 35 V HN 0.684 nan 8.190 nan 0.000 0.443 36 T N 1.745 116.415 114.554 0.192 0.000 2.900 36 T HA 0.408 4.758 4.350 0.000 0.000 0.303 36 T C 0.086 174.795 174.700 0.014 0.000 1.142 36 T CA -0.328 61.873 62.100 0.169 0.000 1.007 36 T CB 1.956 70.896 68.868 0.120 0.000 1.156 36 T HN 0.755 nan 8.240 nan 0.000 0.490 37 D N 1.191 121.438 120.400 -0.255 0.000 2.360 37 D HA 0.127 4.767 4.640 0.000 0.000 0.210 37 D C 0.585 176.816 176.300 -0.115 0.000 1.047 37 D CA -0.096 53.579 54.000 -0.541 0.000 0.854 37 D CB 0.184 40.465 40.800 -0.866 0.000 0.936 37 D HN 0.153 nan 8.370 nan 0.000 0.514 38 R N 1.295 121.805 120.500 0.016 0.000 2.594 38 R HA 0.241 4.581 4.340 0.000 0.000 0.272 38 R C -2.243 174.109 176.300 0.087 0.000 1.074 38 R CA -1.944 54.181 56.100 0.042 0.000 1.105 38 R CB -0.777 29.536 30.300 0.023 0.000 1.008 38 R HN 0.016 nan 8.270 nan 0.000 0.472 39 P HA -0.097 nan 4.420 nan 0.000 0.247 39 P C 0.014 177.263 177.300 -0.084 0.000 1.147 39 P CA 0.365 63.446 63.100 -0.032 0.000 0.964 39 P CB 0.019 31.703 31.700 -0.027 0.000 0.944 40 V N 3.620 123.417 119.914 -0.196 0.000 2.583 40 V HA 0.076 4.196 4.120 0.000 0.000 0.287 40 V C 0.337 176.348 176.094 -0.139 0.000 1.051 40 V CA -0.285 61.910 62.300 -0.175 0.000 1.010 40 V CB 0.914 32.579 31.823 -0.263 0.000 0.988 40 V HN 0.329 nan 8.190 nan 0.000 0.478 41 D N 5.093 125.441 120.400 -0.086 0.000 2.325 41 D HA 0.360 5.000 4.640 0.000 0.000 0.251 41 D C -0.167 176.094 176.300 -0.065 0.000 1.196 41 D CA -0.228 53.732 54.000 -0.066 0.000 0.866 41 D CB 0.555 41.328 40.800 -0.044 0.000 1.101 41 D HN 0.561 nan 8.370 nan 0.000 0.476 42 L N 2.981 124.164 121.223 -0.067 0.000 2.335 42 L HA 0.568 4.908 4.340 0.000 0.000 0.268 42 L C -2.044 174.801 176.870 -0.042 0.000 1.037 42 L CA -1.229 53.577 54.840 -0.057 0.000 0.895 42 L CB 0.892 42.911 42.059 -0.068 0.000 1.266 42 L HN 0.241 nan 8.230 nan 0.000 0.439 43 P HA 0.028 nan 4.420 nan 0.000 0.207 43 P C 0.520 177.806 177.300 -0.024 0.000 1.212 43 P CA 0.806 63.890 63.100 -0.026 0.000 0.914 43 P CB 0.256 31.942 31.700 -0.022 0.000 0.750 44 N N -0.939 117.748 118.700 -0.022 0.000 2.279 44 N HA 0.345 5.085 4.740 0.000 0.000 0.226 44 N C -0.485 175.012 175.510 -0.021 0.000 1.126 44 N CA -0.335 52.704 53.050 -0.019 0.000 0.846 44 N CB -0.025 38.453 38.487 -0.016 0.000 1.050 44 N HN 0.134 nan 8.380 nan 0.000 0.502 45 A N 0.337 123.141 122.820 -0.026 0.000 2.310 45 A HA 0.259 4.579 4.320 0.000 0.000 0.299 45 A C -0.208 177.358 177.584 -0.030 0.000 1.147 45 A CA -0.400 51.620 52.037 -0.029 0.000 0.818 45 A CB 0.759 19.737 19.000 -0.036 0.000 1.096 45 A HN 0.308 nan 8.150 nan 0.000 0.495 46 Q N 1.070 120.852 119.800 -0.029 0.000 2.278 46 Q HA 0.562 4.903 4.340 0.000 0.000 0.257 46 Q C -0.514 175.461 176.000 -0.040 0.000 0.928 46 Q CA -0.390 55.394 55.803 -0.031 0.000 0.932 46 Q CB 1.313 30.035 28.738 -0.025 0.000 1.221 46 Q HN 0.865 nan 8.270 nan 0.000 0.434 47 A N 4.693 127.487 122.820 -0.043 0.000 2.337 47 A HA 0.774 5.095 4.320 0.000 0.000 0.331 47 A C -0.873 176.668 177.584 -0.072 0.000 1.137 47 A CA -0.694 51.310 52.037 -0.055 0.000 0.807 47 A CB 0.946 19.917 19.000 -0.048 0.000 1.250 47 A HN 0.786 nan 8.150 nan 0.000 0.468 48 I N 0.914 121.420 120.570 -0.108 0.000 2.533 48 I HA 0.239 4.410 4.170 0.000 0.000 0.290 48 I C -1.085 174.946 176.117 -0.143 0.000 1.056 48 I CA -0.637 60.559 61.300 -0.173 0.000 1.057 48 I CB 2.199 39.982 38.000 -0.362 0.000 1.240 48 I HN 0.617 nan 8.210 nan 0.000 0.423 49 D N 5.251 125.595 120.400 -0.094 0.000 2.339 49 D HA 0.241 4.881 4.640 0.000 0.000 0.256 49 D C 0.397 176.667 176.300 -0.051 0.000 1.214 49 D CA 0.097 54.074 54.000 -0.039 0.000 0.877 49 D CB 1.313 42.115 40.800 0.003 0.000 1.111 49 D HN 0.286 nan 8.370 nan 0.000 0.478 50 V N 3.752 123.645 119.914 -0.035 0.000 3.477 50 V HA 0.217 4.337 4.120 0.000 0.000 0.297 50 V C 1.134 177.221 176.094 -0.011 0.000 1.433 50 V CA -0.439 61.840 62.300 -0.034 0.000 1.052 50 V CB -0.611 31.174 31.823 -0.063 0.000 0.895 50 V HN 0.431 nan 8.190 nan 0.000 0.438 51 R N 1.877 122.384 120.500 0.011 0.000 2.485 51 R HA 0.285 4.625 4.340 0.000 0.000 0.304 51 R C 1.446 177.733 176.300 -0.021 0.000 0.934 51 R CA 1.214 57.318 56.100 0.007 0.000 1.102 51 R CB -0.151 30.195 30.300 0.077 0.000 0.906 51 R HN 0.630 nan 8.270 nan 0.000 0.407 52 G N 2.508 111.253 108.800 -0.092 0.000 2.143 52 G HA2 -0.311 3.649 3.960 0.000 0.000 0.249 52 G HA3 -0.311 3.649 3.960 0.000 0.000 0.249 52 G C -0.210 174.661 174.900 -0.048 0.000 0.981 52 G CA 0.163 45.218 45.100 -0.074 0.000 0.665 52 G HN 0.516 nan 8.290 nan 0.000 0.528 53 K N 0.233 120.605 120.400 -0.046 0.000 2.371 53 K HA 0.552 4.872 4.320 0.000 0.000 0.251 53 K C -0.196 176.382 176.600 -0.037 0.000 0.934 53 K CA -0.659 55.614 56.287 -0.023 0.000 0.798 53 K CB 1.646 34.155 32.500 0.015 0.000 1.204 53 K HN 0.049 nan 8.250 nan 0.000 0.427 54 T N 1.753 116.289 114.554 -0.031 0.000 2.834 54 T HA 0.112 4.462 4.350 0.000 0.000 0.298 54 T C -0.102 174.578 174.700 -0.034 0.000 0.966 54 T CA -0.337 61.742 62.100 -0.036 0.000 1.141 54 T CB 0.390 69.240 68.868 -0.031 0.000 0.905 54 T HN 0.127 nan 8.240 nan 0.000 0.535 55 V N 6.429 126.319 119.914 -0.041 0.000 2.370 55 V HA 0.598 4.718 4.120 0.000 0.000 0.279 55 V C 0.157 176.223 176.094 -0.047 0.000 1.029 55 V CA -0.546 61.727 62.300 -0.044 0.000 0.870 55 V CB 0.781 32.579 31.823 -0.041 0.000 0.984 55 V HN 0.934 nan 8.190 nan 0.000 0.451 56 M N 5.953 125.517 119.600 -0.061 0.000 2.618 56 M HA 0.804 5.284 4.480 0.000 0.000 0.281 56 M C -3.106 173.140 176.300 -0.090 0.000 1.267 56 M CA -2.151 53.117 55.300 -0.055 0.000 0.845 56 M CB 2.742 35.328 32.600 -0.024 0.000 1.732 56 M HN 0.222 nan 8.290 nan 0.000 0.461 57 P HA 0.272 nan 4.420 nan 0.000 0.275 57 P C -0.118 177.067 177.300 -0.191 0.000 1.228 57 P CA 0.032 63.082 63.100 -0.083 0.000 0.786 57 P CB 0.454 32.142 31.700 -0.020 0.000 0.927 58 G N 2.161 110.822 108.800 -0.233 0.000 2.380 58 G HA2 0.272 4.232 3.960 0.000 0.000 0.242 58 G HA3 0.272 4.232 3.960 0.000 0.000 0.242 58 G C -0.468 174.272 174.900 -0.266 0.000 1.298 58 G CA -0.281 44.573 45.100 -0.408 0.000 0.878 58 G HN 0.217 nan 8.290 nan 0.000 0.542 59 F N 0.580 120.458 119.950 -0.120 0.000 2.496 59 F HA 0.392 4.919 4.527 0.000 0.000 0.344 59 F C 0.825 176.706 175.800 0.136 0.000 1.155 59 F CA -0.756 57.198 58.000 -0.076 0.000 1.302 59 F CB 0.423 39.218 39.000 -0.343 0.000 1.159 59 F HN 0.177 nan 8.300 nan 0.000 0.595 60 I N 1.698 122.502 120.570 0.391 0.000 2.389 60 I HA 0.195 4.365 4.170 0.000 0.000 0.288 60 I C -0.595 175.768 176.117 0.410 0.000 0.999 60 I CA -0.638 60.883 61.300 0.367 0.000 1.129 60 I CB 1.405 39.547 38.000 0.237 0.000 1.288 60 I HN 0.464 nan 8.210 nan 0.000 0.444 61 D N 5.114 125.757 120.400 0.405 0.000 2.249 61 D HA 0.213 4.853 4.640 0.000 0.000 0.246 61 D C 0.085 176.505 176.300 0.200 0.000 1.114 61 D CA -0.284 53.908 54.000 0.319 0.000 0.854 61 D CB 1.763 42.593 40.800 0.051 0.000 1.132 61 D HN 0.590 nan 8.370 nan 0.000 0.461 62 C N 2.732 122.136 119.300 0.174 0.000 2.754 62 C HA 0.178 4.638 4.460 0.000 0.000 0.276 62 C C 0.618 175.651 174.990 0.071 0.000 1.264 62 C CA -0.196 58.875 59.018 0.088 0.000 1.700 62 C CB -1.615 26.153 27.740 0.048 0.000 1.885 62 C HN 0.573 nan 8.230 nan 0.000 0.607 63 H N -0.080 118.960 119.070 -0.050 0.000 3.243 63 H HA 0.458 5.014 4.556 0.000 0.000 0.330 63 H C -0.828 174.421 175.328 -0.131 0.000 1.269 63 H CA -0.145 55.832 56.048 -0.118 0.000 1.632 63 H CB 0.590 30.263 29.762 -0.149 0.000 1.982 63 H HN 0.101 nan 8.280 nan 0.000 0.536 64 V N 1.002 120.835 119.914 -0.134 0.000 3.102 64 V HA 0.579 4.699 4.120 0.000 0.000 0.312 64 V C -0.749 175.162 176.094 -0.306 0.000 1.135 64 V CA -0.780 61.477 62.300 -0.071 0.000 1.022 64 V CB 2.551 34.380 31.823 0.011 0.000 1.056 64 V HN 0.730 nan 8.190 nan 0.000 0.436 65 H N 1.814 120.981 119.070 0.162 0.000 2.675 65 H HA 0.403 4.959 4.556 0.000 0.000 0.258 65 H C 0.736 176.166 175.328 0.169 0.000 1.271 65 H CA -0.226 55.902 56.048 0.133 0.000 1.462 65 H CB 1.784 31.620 29.762 0.123 0.000 1.467 65 H HN 0.550 nan 8.280 nan 0.000 0.501 66 V N 2.396 122.393 119.914 0.137 0.000 2.380 66 V HA -0.262 3.858 4.120 0.000 0.000 0.251 66 V C 2.228 178.347 176.094 0.041 0.000 1.063 66 V CA 1.696 64.017 62.300 0.035 0.000 1.055 66 V CB -0.190 31.631 31.823 -0.003 0.000 0.657 66 V HN 0.592 nan 8.190 nan 0.000 0.455 67 L N -0.157 121.122 121.223 0.093 0.000 2.591 67 L HA 0.240 4.580 4.340 0.000 0.000 0.228 67 L C 1.327 178.250 176.870 0.088 0.000 1.133 67 L CA 0.093 54.976 54.840 0.072 0.000 0.880 67 L CB -0.238 41.863 42.059 0.069 0.000 1.033 67 L HN 0.277 nan 8.230 nan 0.000 0.450 68 A N -0.007 122.907 122.820 0.157 0.000 2.671 68 A HA 0.233 4.553 4.320 0.000 0.000 0.306 68 A C 1.336 179.008 177.584 0.147 0.000 1.473 68 A CA 0.159 52.272 52.037 0.127 0.000 1.155 68 A CB -0.034 19.045 19.000 0.132 0.000 1.123 68 A HN 0.361 nan 8.150 nan 0.000 0.545 69 S N 1.582 117.318 115.700 0.060 0.000 2.503 69 S HA 0.050 4.521 4.470 0.000 0.000 0.217 69 S C 0.450 175.054 174.600 0.006 0.000 0.999 69 S CA 0.309 58.532 58.200 0.037 0.000 0.914 69 S CB -0.446 62.757 63.200 0.004 0.000 0.782 69 S HN 0.943 nan 8.310 nan 0.000 0.520 70 N N -1.144 117.546 118.700 -0.016 0.000 2.494 70 N HA 0.656 5.396 4.740 0.000 0.000 0.270 70 N C 0.216 175.692 175.510 -0.057 0.000 1.285 70 N CA -0.392 52.631 53.050 -0.045 0.000 0.812 70 N CB 1.026 39.484 38.487 -0.047 0.000 1.557 70 N HN -0.049 nan 8.380 nan 0.000 0.487 71 A N 0.348 123.140 122.820 -0.047 0.000 2.172 71 A HA -0.047 4.273 4.320 0.000 0.000 0.216 71 A C 0.695 178.232 177.584 -0.079 0.000 1.154 71 A CA 0.640 52.652 52.037 -0.043 0.000 0.701 71 A CB -0.709 18.306 19.000 0.025 0.000 0.789 71 A HN 0.689 nan 8.150 nan 0.000 0.465 72 N N 0.925 119.569 118.700 -0.093 0.000 2.521 72 N HA 0.293 5.034 4.740 0.000 0.000 0.236 72 N C 0.596 175.954 175.510 -0.253 0.000 1.067 72 N CA -0.102 52.858 53.050 -0.151 0.000 0.939 72 N CB 0.575 39.000 38.487 -0.103 0.000 1.201 72 N HN 0.332 nan 8.380 nan 0.000 0.511 73 L N 1.773 122.746 121.223 -0.416 0.000 2.291 73 L HA 0.034 4.374 4.340 0.000 0.000 0.214 73 L C 2.190 178.544 176.870 -0.861 0.000 1.120 73 L CA 0.848 55.313 54.840 -0.625 0.000 0.799 73 L CB -0.131 41.463 42.059 -0.776 0.000 0.925 73 L HN 0.509 nan 8.230 nan 0.000 0.446 74 G N -0.859 107.431 108.800 -0.849 0.000 2.448 74 G HA2 -0.155 3.805 3.960 0.000 0.000 0.218 74 G HA3 -0.155 3.805 3.960 0.000 0.000 0.218 74 G C 1.523 176.299 174.900 -0.207 0.000 1.135 74 G CA 0.614 45.423 45.100 -0.485 0.000 0.784 74 G HN 0.206 nan 8.290 nan 0.000 0.543 75 V N 0.206 120.008 119.914 -0.187 0.000 3.307 75 V HA 0.088 4.208 4.120 0.000 0.000 0.253 75 V C 2.224 178.267 176.094 -0.086 0.000 1.149 75 V CA 1.130 63.371 62.300 -0.100 0.000 1.112 75 V CB 0.010 31.790 31.823 -0.072 0.000 0.777 75 V HN 0.412 nan 8.190 nan 0.000 0.464 76 N N 0.236 118.861 118.700 -0.124 0.000 2.331 76 N HA -0.059 4.681 4.740 0.000 0.000 0.180 76 N C 1.757 177.235 175.510 -0.052 0.000 1.019 76 N CA 1.264 54.262 53.050 -0.086 0.000 0.881 76 N CB -0.094 38.328 38.487 -0.108 0.000 0.972 76 N HN 0.485 nan 8.380 nan 0.000 0.435 77 A N -0.547 122.236 122.820 -0.062 0.000 1.929 77 A HA -0.081 4.239 4.320 0.000 0.000 0.216 77 A C 2.148 179.743 177.584 0.019 0.000 1.176 77 A CA 1.760 53.800 52.037 0.005 0.000 0.628 77 A CB -0.949 18.082 19.000 0.052 0.000 0.816 77 A HN 0.500 nan 8.150 nan 0.000 0.444 78 T N -0.832 113.723 114.554 0.001 0.000 3.088 78 T HA 0.055 4.405 4.350 0.000 0.000 0.259 78 T C 0.952 175.658 174.700 0.010 0.000 1.122 78 T CA 0.366 62.473 62.100 0.012 0.000 1.095 78 T CB -0.563 68.308 68.868 0.005 0.000 0.930 78 T HN 0.722 nan 8.240 nan 0.000 0.508 79 Q N 1.816 121.617 119.800 0.003 0.000 2.392 79 Q HA 0.321 4.661 4.340 0.000 0.000 0.262 79 Q C -2.699 173.309 176.000 0.013 0.000 1.003 79 Q CA -1.961 53.844 55.803 0.004 0.000 0.888 79 Q CB -0.256 28.480 28.738 -0.004 0.000 1.260 79 Q HN 0.092 nan 8.270 nan 0.000 0.435 80 P HA -0.050 nan 4.420 nan 0.000 0.267 80 P C -0.080 177.231 177.300 0.018 0.000 1.201 80 P CA -0.145 62.964 63.100 0.014 0.000 0.775 80 P CB 0.529 32.234 31.700 0.008 0.000 0.854 81 N N 1.346 120.061 118.700 0.024 0.000 2.084 81 N HA -0.122 4.618 4.740 0.000 0.000 0.190 81 N C 1.649 177.173 175.510 0.023 0.000 1.030 81 N CA 1.379 54.448 53.050 0.031 0.000 0.849 81 N CB -0.654 37.857 38.487 0.040 0.000 1.012 81 N HN 0.330 nan 8.380 nan 0.000 0.423 82 I N 1.425 122.005 120.570 0.016 0.000 2.127 82 I HA -0.227 3.944 4.170 0.000 0.000 0.241 82 I C 2.338 178.459 176.117 0.007 0.000 1.075 82 I CA 0.871 62.177 61.300 0.011 0.000 1.334 82 I CB -0.377 37.628 38.000 0.007 0.000 1.040 82 I HN 0.062 nan 8.210 nan 0.000 0.405 83 L N -0.171 121.055 121.223 0.006 0.000 2.127 83 L HA -0.245 4.096 4.340 0.000 0.000 0.211 83 L C 2.609 179.481 176.870 0.002 0.000 1.089 83 L CA 1.333 56.174 54.840 0.002 0.000 0.757 83 L CB -0.529 41.531 42.059 0.001 0.000 0.899 83 L HN 0.303 nan 8.230 nan 0.000 0.434 84 A N -0.462 122.363 122.820 0.008 0.000 1.898 84 A HA -0.151 4.169 4.320 0.000 0.000 0.216 84 A C 2.471 180.060 177.584 0.009 0.000 1.181 84 A CA 1.613 53.656 52.037 0.010 0.000 0.620 84 A CB -0.646 18.366 19.000 0.019 0.000 0.819 84 A HN 0.423 nan 8.150 nan 0.000 0.442 85 A N 0.099 122.924 122.820 0.010 0.000 1.873 85 A HA -0.019 4.301 4.320 0.000 0.000 0.215 85 A C 1.981 179.562 177.584 -0.005 0.000 1.186 85 A CA 1.507 53.547 52.037 0.005 0.000 0.616 85 A CB -0.522 18.483 19.000 0.009 0.000 0.823 85 A HN 0.371 nan 8.150 nan 0.000 0.442 86 I N 0.098 120.665 120.570 -0.005 0.000 2.194 86 I HA -0.255 3.915 4.170 0.000 0.000 0.246 86 I C 2.476 178.584 176.117 -0.016 0.000 1.093 86 I CA 1.653 62.947 61.300 -0.011 0.000 1.355 86 I CB -1.291 36.704 38.000 -0.008 0.000 1.046 86 I HN 0.364 nan 8.210 nan 0.000 0.413 87 R N 0.515 121.006 120.500 -0.015 0.000 2.189 87 R HA -0.086 4.254 4.340 0.000 0.000 0.223 87 R C 2.327 178.607 176.300 -0.033 0.000 1.092 87 R CA 1.381 57.468 56.100 -0.021 0.000 0.989 87 R CB -0.209 30.081 30.300 -0.016 0.000 0.876 87 R HN 0.508 nan 8.270 nan 0.000 0.457 88 S N 0.373 116.054 115.700 -0.031 0.000 2.496 88 S HA 0.022 4.492 4.470 0.000 0.000 0.224 88 S C 1.954 176.520 174.600 -0.058 0.000 0.996 88 S CA 0.288 58.458 58.200 -0.049 0.000 0.927 88 S CB -0.158 63.023 63.200 -0.031 0.000 0.774 88 S HN 0.198 nan 8.310 nan 0.000 0.524 89 L N 1.161 122.359 121.223 -0.042 0.000 2.046 89 L HA 0.019 4.359 4.340 0.000 0.000 0.208 89 L C -0.556 176.289 176.870 -0.042 0.000 1.077 89 L CA 1.196 56.012 54.840 -0.039 0.000 0.747 89 L CB -1.982 40.059 42.059 -0.030 0.000 0.896 89 L HN 0.278 nan 8.230 nan 0.000 0.432 90 P HA -0.119 nan 4.420 nan 0.000 0.217 90 P C 1.888 179.152 177.300 -0.060 0.000 1.151 90 P CA 1.300 64.375 63.100 -0.042 0.000 0.828 90 P CB 0.100 31.777 31.700 -0.037 0.000 0.788 91 I N -1.329 119.179 120.570 -0.104 0.000 2.163 91 I HA -0.253 3.918 4.170 0.000 0.000 0.243 91 I C 2.273 178.309 176.117 -0.135 0.000 1.085 91 I CA 1.402 62.586 61.300 -0.193 0.000 1.347 91 I CB -0.694 37.088 38.000 -0.363 0.000 1.044 91 I HN -0.110 nan 8.210 nan 0.000 0.408 92 L N 0.221 121.387 121.223 -0.094 0.000 2.012 92 L HA -0.285 4.056 4.340 0.000 0.000 0.210 92 L C 2.258 179.119 176.870 -0.015 0.000 1.073 92 L CA 1.765 56.575 54.840 -0.050 0.000 0.748 92 L CB -0.624 41.408 42.059 -0.045 0.000 0.891 92 L HN 0.254 nan 8.230 nan 0.000 0.431 93 D N -0.432 119.957 120.400 -0.018 0.000 2.144 93 D HA -0.175 4.465 4.640 0.000 0.000 0.199 93 D C 2.117 178.429 176.300 0.020 0.000 0.984 93 D CA 1.260 55.258 54.000 -0.002 0.000 0.834 93 D CB 0.120 40.913 40.800 -0.011 0.000 0.955 93 D HN 0.298 nan 8.370 nan 0.000 0.465 94 A N -0.170 122.661 122.820 0.018 0.000 1.898 94 A HA -0.133 4.187 4.320 0.000 0.000 0.216 94 A C 2.273 179.925 177.584 0.114 0.000 1.181 94 A CA 1.291 53.358 52.037 0.051 0.000 0.620 94 A CB -0.549 18.473 19.000 0.036 0.000 0.819 94 A HN 0.265 nan 8.150 nan 0.000 0.442 95 M N -1.339 118.330 119.600 0.115 0.000 2.117 95 M HA -0.125 4.356 4.480 0.000 0.000 0.262 95 M C 2.162 178.643 176.300 0.302 0.000 1.065 95 M CA 1.361 56.797 55.300 0.227 0.000 1.114 95 M CB -0.354 32.318 32.600 0.120 0.000 1.361 95 M HN 0.447 nan 8.290 nan 0.000 0.408 96 L N 0.225 121.544 121.223 0.160 0.000 2.093 96 L HA -0.138 4.202 4.340 0.000 0.000 0.208 96 L C 2.672 179.590 176.870 0.080 0.000 1.085 96 L CA 2.090 56.997 54.840 0.112 0.000 0.755 96 L CB -0.613 41.476 42.059 0.049 0.000 0.904 96 L HN 0.359 nan 8.230 nan 0.000 0.435 97 S N -1.261 114.485 115.700 0.078 0.000 2.406 97 S HA -0.149 4.321 4.470 0.000 0.000 0.228 97 S C 2.102 176.745 174.600 0.072 0.000 1.020 97 S CA 0.567 58.795 58.200 0.047 0.000 0.965 97 S CB -0.571 62.649 63.200 0.035 0.000 0.798 97 S HN 0.479 nan 8.310 nan 0.000 0.488 98 R N 0.938 121.536 120.500 0.164 0.000 2.235 98 R HA 0.145 4.485 4.340 0.000 0.000 0.213 98 R C 1.542 177.930 176.300 0.147 0.000 1.059 98 R CA 0.684 56.916 56.100 0.220 0.000 0.997 98 R CB -0.237 30.311 30.300 0.413 0.000 0.884 98 R HN 0.680 nan 8.270 nan 0.000 0.462 99 G N -0.583 108.244 108.800 0.045 0.000 2.227 99 G HA2 -0.192 3.768 3.960 0.000 0.000 0.168 99 G HA3 -0.192 3.768 3.960 0.000 0.000 0.168 99 G C -0.190 174.465 174.900 -0.408 0.000 1.006 99 G CA -0.788 44.156 45.100 -0.261 0.000 0.684 99 G HN 0.128 nan 8.290 nan 0.000 0.489 100 F N 2.736 122.767 119.950 0.134 0.000 2.404 100 F HA 0.435 4.962 4.527 0.000 0.000 0.359 100 F C 1.866 177.690 175.800 0.041 0.000 1.134 100 F CA 0.543 58.630 58.000 0.145 0.000 1.160 100 F CB 1.407 40.536 39.000 0.215 0.000 1.186 100 F HN 0.084 nan 8.300 nan 0.000 0.526 101 T N -2.308 112.312 114.554 0.110 0.000 3.054 101 T HA 0.118 4.468 4.350 0.000 0.000 0.259 101 T C 0.559 175.309 174.700 0.084 0.000 1.092 101 T CA 0.099 62.229 62.100 0.050 0.000 1.121 101 T CB 0.066 68.920 68.868 -0.023 0.000 0.912 101 T HN 0.310 nan 8.240 nan 0.000 0.489 102 S N 1.155 116.956 115.700 0.168 0.000 2.677 102 S HA 0.647 5.117 4.470 0.000 0.000 0.283 102 S C -0.672 174.076 174.600 0.246 0.000 1.159 102 S CA -0.915 57.389 58.200 0.172 0.000 1.001 102 S CB 2.129 65.473 63.200 0.241 0.000 1.032 102 S HN 0.548 nan 8.310 nan 0.000 0.487 103 V N 1.282 121.302 119.914 0.176 0.000 2.715 103 V HA 0.734 4.854 4.120 0.000 0.000 0.310 103 V C -0.388 175.835 176.094 0.215 0.000 1.054 103 V CA -1.211 61.190 62.300 0.169 0.000 0.928 103 V CB 1.753 33.620 31.823 0.074 0.000 1.007 103 V HN 0.860 nan 8.190 nan 0.000 0.437 104 R N 1.947 122.558 120.500 0.186 0.000 2.246 104 R HA 0.414 4.754 4.340 0.000 0.000 0.332 104 R C -0.795 175.502 176.300 -0.005 0.000 0.974 104 R CA -0.350 55.847 56.100 0.162 0.000 0.837 104 R CB 0.896 31.262 30.300 0.111 0.000 1.145 104 R HN 1.026 nan 8.270 nan 0.000 0.467 105 D N 2.766 123.155 120.400 -0.018 0.000 2.312 105 D HA 0.168 4.808 4.640 0.000 0.000 0.252 105 D C 0.303 176.481 176.300 -0.203 0.000 1.150 105 D CA 0.098 54.028 54.000 -0.116 0.000 0.870 105 D CB 1.361 42.136 40.800 -0.042 0.000 1.153 105 D HN 0.628 nan 8.370 nan 0.000 0.457 106 A N 3.430 125.983 122.820 -0.445 0.000 2.415 106 A HA 0.566 4.886 4.320 0.000 0.000 0.248 106 A C 0.689 178.207 177.584 -0.110 0.000 1.299 106 A CA 0.296 52.051 52.037 -0.469 0.000 0.899 106 A CB -0.409 17.944 19.000 -1.077 0.000 0.997 106 A HN 0.729 nan 8.150 nan 0.000 0.506 107 G N -2.581 106.225 108.800 0.010 0.000 2.944 107 G HA2 0.520 4.480 3.960 0.000 0.000 0.471 107 G HA3 0.520 4.480 3.960 0.000 0.000 0.471 107 G C 0.354 175.405 174.900 0.251 0.000 1.388 107 G CA 0.230 45.431 45.100 0.169 0.000 1.087 107 G HN 1.804 nan 8.290 nan 0.000 0.596 108 G N 0.592 109.477 108.800 0.142 0.000 2.650 108 G HA2 0.491 4.451 3.960 0.000 0.000 0.193 108 G HA3 0.491 4.451 3.960 0.000 0.000 0.193 108 G C 1.040 175.990 174.900 0.084 0.000 2.403 108 G CA 1.379 46.555 45.100 0.128 0.000 1.493 108 G HN 2.477 nan 8.290 nan 0.000 0.459 109 A N 1.300 124.162 122.820 0.070 0.000 2.386 109 A HA 0.587 4.907 4.320 0.000 0.000 0.246 109 A C 0.416 178.032 177.584 0.053 0.000 1.089 109 A CA 1.372 53.437 52.037 0.047 0.000 0.790 109 A CB 0.097 19.110 19.000 0.023 0.000 1.042 109 A HN 1.262 nan 8.150 nan 0.000 0.497 110 D N -1.317 119.119 120.400 0.061 0.000 2.958 110 D HA 0.086 4.726 4.640 0.000 0.000 0.306 110 D C 0.480 176.860 176.300 0.134 0.000 1.226 110 D CA -0.543 53.520 54.000 0.105 0.000 1.032 110 D CB -0.365 40.508 40.800 0.121 0.000 1.400 110 D HN 0.491 nan 8.370 nan 0.000 0.587 111 W N 0.839 122.135 121.300 -0.007 0.000 2.402 111 W HA -0.067 4.593 4.660 0.001 0.000 0.286 111 W C 2.016 178.527 176.519 -0.013 0.000 1.221 111 W CA 2.373 59.712 57.345 -0.011 0.000 1.257 111 W CB -0.147 29.310 29.460 -0.006 0.000 1.120 111 W HN 0.326 nan 8.180 nan 0.000 0.551 112 S N 0.692 116.476 115.700 0.140 0.000 2.368 112 S HA -0.239 4.231 4.470 0.000 0.000 0.225 112 S C 1.894 176.414 174.600 -0.135 0.000 1.030 112 S CA 1.498 59.690 58.200 -0.014 0.000 0.999 112 S CB -0.887 62.367 63.200 0.090 0.000 0.844 112 S HN 0.311 nan 8.310 nan 0.000 0.459 113 L N 0.602 121.776 121.223 -0.081 0.000 2.217 113 L HA 0.061 4.401 4.340 0.000 0.000 0.211 113 L C 2.547 179.324 176.870 -0.155 0.000 1.107 113 L CA 0.850 55.633 54.840 -0.096 0.000 0.783 113 L CB -0.294 41.736 42.059 -0.049 0.000 0.919 113 L HN 0.398 nan 8.230 nan 0.000 0.442 114 M N -1.068 118.408 119.600 -0.205 0.000 2.175 114 M HA -0.220 4.260 4.480 0.000 0.000 0.264 114 M C 2.238 178.327 176.300 -0.352 0.000 1.063 114 M CA 1.551 56.691 55.300 -0.267 0.000 1.119 114 M CB 0.028 32.465 32.600 -0.272 0.000 1.377 114 M HN 0.208 nan 8.290 nan 0.000 0.415 115 Q N 0.039 119.540 119.800 -0.500 0.000 2.079 115 Q HA -0.059 4.281 4.340 0.000 0.000 0.200 115 Q C 2.139 177.966 176.000 -0.287 0.000 0.974 115 Q CA 1.784 57.283 55.803 -0.506 0.000 0.840 115 Q CB -0.580 27.714 28.738 -0.740 0.000 0.898 115 Q HN 0.673 nan 8.270 nan 0.000 0.430 116 A N 0.720 123.407 122.820 -0.222 0.000 1.933 116 A HA -0.133 4.188 4.320 0.000 0.000 0.218 116 A C 2.241 179.752 177.584 -0.122 0.000 1.175 116 A CA 1.919 53.871 52.037 -0.141 0.000 0.628 116 A CB -0.661 18.276 19.000 -0.105 0.000 0.814 116 A HN 0.295 nan 8.150 nan 0.000 0.444 117 V N -2.954 116.880 119.914 -0.134 0.000 2.788 117 V HA -0.043 4.077 4.120 0.000 0.000 0.251 117 V C 1.743 177.768 176.094 -0.116 0.000 1.068 117 V CA 1.876 64.109 62.300 -0.112 0.000 1.090 117 V CB -0.666 31.093 31.823 -0.107 0.000 0.710 117 V HN 0.543 nan 8.190 nan 0.000 0.467 118 E N 1.384 121.496 120.200 -0.148 0.000 2.170 118 E HA -0.079 4.271 4.350 0.000 0.000 0.191 118 E C 2.354 178.889 176.600 -0.108 0.000 0.981 118 E CA 1.463 57.782 56.400 -0.134 0.000 0.830 118 E CB -0.073 29.529 29.700 -0.163 0.000 0.775 118 E HN 0.877 nan 8.360 nan 0.000 0.470 119 T N -2.813 111.672 114.554 -0.115 0.000 3.043 119 T HA 0.115 4.465 4.350 0.000 0.000 0.263 119 T C 1.522 176.182 174.700 -0.066 0.000 1.094 119 T CA 0.665 62.714 62.100 -0.085 0.000 1.127 119 T CB 0.391 69.206 68.868 -0.088 0.000 0.905 119 T HN 0.230 nan 8.240 nan 0.000 0.490 120 G N 0.643 109.401 108.800 -0.070 0.000 2.141 120 G HA2 -0.149 3.812 3.960 0.000 0.000 0.195 120 G HA3 -0.149 3.812 3.960 0.000 0.000 0.195 120 G C 0.310 175.181 174.900 -0.049 0.000 1.012 120 G CA 0.135 45.202 45.100 -0.054 0.000 0.696 120 G HN 0.463 nan 8.290 nan 0.000 0.508 121 L N -0.333 120.856 121.223 -0.057 0.000 2.375 121 L HA 0.551 4.892 4.340 0.000 0.000 0.215 121 L C 0.953 177.796 176.870 -0.045 0.000 1.108 121 L CA 0.872 55.682 54.840 -0.048 0.000 0.830 121 L CB 0.650 42.676 42.059 -0.055 0.000 0.959 121 L HN 0.199 nan 8.230 nan 0.000 0.457 122 V N -0.937 118.945 119.914 -0.052 0.000 2.686 122 V HA 0.318 4.438 4.120 0.000 0.000 0.306 122 V C -0.220 175.847 176.094 -0.045 0.000 1.065 122 V CA -0.773 61.499 62.300 -0.047 0.000 0.894 122 V CB 1.878 33.670 31.823 -0.052 0.000 1.004 122 V HN 0.032 nan 8.190 nan 0.000 0.424 123 S N 3.178 118.856 115.700 -0.035 0.000 2.488 123 S HA 0.719 5.189 4.470 0.000 0.000 0.278 123 S C 0.237 174.820 174.600 -0.029 0.000 1.259 123 S CA 0.605 58.787 58.200 -0.030 0.000 1.061 123 S CB 0.047 63.234 63.200 -0.022 0.000 0.910 123 S HN 1.369 nan 8.310 nan 0.000 0.491 124 G N 4.673 113.456 108.800 -0.028 0.000 2.349 124 G HA2 0.462 4.422 3.960 0.000 0.000 0.294 124 G HA3 0.462 4.422 3.960 0.000 0.000 0.294 124 G C -3.538 171.352 174.900 -0.018 0.000 1.380 124 G CA -0.863 44.224 45.100 -0.021 0.000 0.811 124 G HN 0.495 nan 8.290 nan 0.000 0.519 125 P HA 0.341 nan 4.420 nan 0.000 0.276 125 P C -0.437 176.830 177.300 -0.055 0.000 1.252 125 P CA -0.559 62.544 63.100 0.005 0.000 0.802 125 P CB 0.927 32.668 31.700 0.069 0.000 1.035 126 R N 1.537 121.985 120.500 -0.087 0.000 2.449 126 R HA 0.265 4.605 4.340 0.000 0.000 0.296 126 R C -0.324 175.809 176.300 -0.278 0.000 1.047 126 R CA -0.059 55.917 56.100 -0.205 0.000 1.018 126 R CB -0.608 29.544 30.300 -0.246 0.000 0.962 126 R HN 0.390 nan 8.270 nan 0.000 0.428 127 I N 5.473 125.861 120.570 -0.304 0.000 2.353 127 I HA 0.188 4.359 4.170 0.000 0.000 0.293 127 I C -0.538 175.354 176.117 -0.375 0.000 0.992 127 I CA -0.497 60.663 61.300 -0.234 0.000 1.268 127 I CB 1.155 39.080 38.000 -0.126 0.000 1.387 127 I HN 0.581 nan 8.210 nan 0.000 0.478 128 F N 7.565 127.513 119.950 -0.003 0.000 2.300 128 F HA 0.331 4.858 4.527 0.000 0.000 0.364 128 F C -2.002 173.788 175.800 -0.017 0.000 1.090 128 F CA -2.151 55.850 58.000 0.002 0.000 1.200 128 F CB 0.478 39.488 39.000 0.017 0.000 1.493 128 F HN 0.224 nan 8.300 nan 0.000 0.518 129 P HA 0.155 nan 4.420 nan 0.000 0.276 129 P C -0.066 177.261 177.300 0.045 0.000 1.244 129 P CA -0.275 62.863 63.100 0.063 0.000 0.801 129 P CB 1.838 33.576 31.700 0.062 0.000 1.006 130 S N -0.142 115.564 115.700 0.010 0.000 2.540 130 S HA 0.343 4.813 4.470 0.000 0.000 0.222 130 S C 1.110 175.711 174.600 0.003 0.000 1.008 130 S CA 0.331 58.520 58.200 -0.018 0.000 0.939 130 S CB -0.222 62.949 63.200 -0.047 0.000 0.865 130 S HN 0.919 nan 8.310 nan 0.000 0.499 131 G N 2.761 111.578 108.800 0.028 0.000 2.536 131 G HA2 -0.241 3.719 3.960 0.000 0.000 0.280 131 G HA3 -0.241 3.719 3.960 0.000 0.000 0.280 131 G C -0.713 174.208 174.900 0.036 0.000 1.152 131 G CA -0.217 44.904 45.100 0.035 0.000 0.970 131 G HN 0.310 nan 8.290 nan 0.000 0.549 132 K N 1.497 121.911 120.400 0.024 0.000 2.143 132 K HA 0.705 5.025 4.320 0.000 0.000 0.272 132 K C 0.710 177.326 176.600 0.026 0.000 1.001 132 K CA 0.221 56.524 56.287 0.028 0.000 0.915 132 K CB 1.367 33.871 32.500 0.007 0.000 1.047 132 K HN 1.094 nan 8.250 nan 0.000 0.458 133 A N 3.210 126.057 122.820 0.044 0.000 2.366 133 A HA 0.381 4.701 4.320 0.000 0.000 0.249 133 A C -0.064 177.544 177.584 0.041 0.000 1.084 133 A CA -0.400 51.666 52.037 0.049 0.000 0.794 133 A CB 0.110 19.158 19.000 0.080 0.000 1.034 133 A HN 0.640 nan 8.150 nan 0.000 0.491 134 L N 1.594 122.859 121.223 0.070 0.000 2.282 134 L HA 0.546 4.886 4.340 0.000 0.000 0.288 134 L C 0.382 177.372 176.870 0.199 0.000 1.033 134 L CA -0.174 54.734 54.840 0.114 0.000 0.807 134 L CB 1.469 43.587 42.059 0.098 0.000 1.209 134 L HN 0.672 nan 8.230 nan 0.000 0.423 135 S N 2.073 117.846 115.700 0.122 0.000 2.548 135 S HA 0.518 4.988 4.470 0.000 0.000 0.286 135 S C -0.634 173.882 174.600 -0.141 0.000 1.098 135 S CA -0.770 57.416 58.200 -0.022 0.000 0.930 135 S CB 1.818 64.937 63.200 -0.135 0.000 1.070 135 S HN 0.656 nan 8.310 nan 0.000 0.480 136 Q N 1.524 121.018 119.800 -0.509 0.000 2.308 136 Q HA 0.496 4.836 4.340 0.000 0.000 0.207 136 Q C -0.417 175.438 176.000 -0.241 0.000 1.035 136 Q CA -0.645 54.864 55.803 -0.490 0.000 1.008 136 Q CB -0.248 28.014 28.738 -0.794 0.000 1.168 136 Q HN 0.466 nan 8.270 nan 0.000 0.565 137 T N 0.703 115.158 114.554 -0.163 0.000 2.834 137 T HA 0.371 4.721 4.350 0.000 0.000 0.298 137 T C 0.935 175.570 174.700 -0.109 0.000 0.966 137 T CA 0.767 62.802 62.100 -0.109 0.000 1.141 137 T CB 0.063 68.891 68.868 -0.065 0.000 0.905 137 T HN 0.934 nan 8.240 nan 0.000 0.535 138 G N 2.901 111.641 108.800 -0.101 0.000 2.155 138 G HA2 -0.181 3.779 3.960 0.000 0.000 0.257 138 G HA3 -0.181 3.779 3.960 0.000 0.000 0.257 138 G C 0.537 175.381 174.900 -0.094 0.000 0.983 138 G CA -0.036 45.015 45.100 -0.083 0.000 0.676 138 G HN 1.102 nan 8.290 nan 0.000 0.528 139 G N -1.775 106.942 108.800 -0.139 0.000 2.525 139 G HA2 0.449 4.409 3.960 0.000 0.000 0.287 139 G HA3 0.449 4.409 3.960 0.000 0.000 0.287 139 G C 0.596 175.422 174.900 -0.123 0.000 1.350 139 G CA 0.479 45.503 45.100 -0.127 0.000 1.039 139 G HN 0.518 nan 8.290 nan 0.000 0.513 140 H N -0.959 118.003 119.070 -0.181 0.000 2.489 140 H HA -0.009 4.547 4.556 0.000 0.000 0.293 140 H C 2.345 177.438 175.328 -0.391 0.000 1.066 140 H CA 1.969 57.897 56.048 -0.201 0.000 1.305 140 H CB -0.075 29.575 29.762 -0.187 0.000 1.386 140 H HN 0.419 nan 8.280 nan 0.000 0.551 141 G N -1.096 107.393 108.800 -0.518 0.000 2.744 141 G HA2 -0.100 3.860 3.960 0.000 0.000 0.211 141 G HA3 -0.100 3.860 3.960 0.000 0.000 0.211 141 G C 0.123 174.392 174.900 -1.052 0.000 1.146 141 G CA 0.097 44.712 45.100 -0.809 0.000 0.787 141 G HN 0.312 nan 8.290 nan 0.000 0.534 142 D N 0.374 120.390 120.400 -0.640 0.000 2.359 142 D HA 0.168 4.808 4.640 0.000 0.000 0.250 142 D C 0.037 176.095 176.300 -0.404 0.000 1.264 142 D CA -0.658 53.088 54.000 -0.424 0.000 0.911 142 D CB 0.190 40.858 40.800 -0.219 0.000 1.056 142 D HN 0.052 nan 8.370 nan 0.000 0.499 143 F N 2.097 122.005 119.950 -0.069 0.000 2.692 143 F HA 0.216 4.743 4.527 0.000 0.000 0.303 143 F C 1.422 177.199 175.800 -0.039 0.000 1.114 143 F CA -0.337 57.625 58.000 -0.064 0.000 1.361 143 F CB -0.232 38.725 39.000 -0.071 0.000 1.063 143 F HN 0.022 nan 8.300 nan 0.000 0.550 144 R N 2.432 122.982 120.500 0.082 0.000 2.522 144 R HA 0.099 4.440 4.340 0.000 0.000 0.284 144 R C -2.083 174.245 176.300 0.046 0.000 1.032 144 R CA -1.304 54.827 56.100 0.052 0.000 1.049 144 R CB -0.029 30.280 30.300 0.016 0.000 0.956 144 R HN -0.021 nan 8.270 nan 0.000 0.422 145 P HA 0.048 nan 4.420 nan 0.000 0.274 145 P C -0.304 177.008 177.300 0.020 0.000 1.256 145 P CA -0.322 62.797 63.100 0.032 0.000 0.795 145 P CB 0.621 32.337 31.700 0.027 0.000 1.038 146 R N 0.141 120.651 120.500 0.017 0.000 2.377 146 R HA -0.034 4.306 4.340 0.000 0.000 0.207 146 R C 1.919 178.224 176.300 0.008 0.000 1.075 146 R CA 1.208 57.314 56.100 0.010 0.000 1.035 146 R CB -1.030 29.276 30.300 0.009 0.000 0.857 146 R HN 0.677 nan 8.270 nan 0.000 0.475 147 G N -0.222 108.583 108.800 0.010 0.000 2.813 147 G HA2 -0.148 3.813 3.960 0.000 0.000 0.208 147 G HA3 -0.148 3.813 3.960 0.000 0.000 0.208 147 G C 0.015 174.919 174.900 0.006 0.000 1.395 147 G CA 0.768 45.873 45.100 0.008 0.000 0.849 147 G HN 0.318 nan 8.290 nan 0.000 0.617 148 D N -1.200 119.204 120.400 0.007 0.000 2.552 148 D HA 0.445 5.085 4.640 0.000 0.000 0.239 148 D C -1.001 175.303 176.300 0.006 0.000 1.139 148 D CA -0.428 53.575 54.000 0.006 0.000 0.914 148 D CB 2.342 43.146 40.800 0.006 0.000 1.461 148 D HN -0.001 nan 8.370 nan 0.000 0.462 149 L N 2.038 123.263 121.223 0.003 0.000 2.335 149 L HA 0.399 4.740 4.340 0.000 0.000 0.268 149 L C -0.479 176.394 176.870 0.004 0.000 1.037 149 L CA -0.227 54.614 54.840 0.002 0.000 0.895 149 L CB 0.646 42.703 42.059 -0.004 0.000 1.266 149 L HN 0.077 nan 8.230 nan 0.000 0.439 150 L N 2.059 123.287 121.223 0.008 0.000 2.331 150 L HA 0.398 4.738 4.340 0.000 0.000 0.275 150 L C 0.413 177.291 176.870 0.013 0.000 1.022 150 L CA -0.779 54.068 54.840 0.011 0.000 0.812 150 L CB 2.039 44.107 42.059 0.015 0.000 1.257 150 L HN 0.471 nan 8.230 nan 0.000 0.435 151 E N 3.826 124.034 120.200 0.015 0.000 2.406 151 E HA 0.057 4.407 4.350 0.000 0.000 0.258 151 E C -2.026 174.589 176.600 0.025 0.000 1.043 151 E CA -1.266 55.143 56.400 0.015 0.000 0.929 151 E CB 0.230 29.940 29.700 0.017 0.000 0.969 151 E HN 0.248 nan 8.360 nan 0.000 0.462 152 P HA 0.077 nan 4.420 nan 0.000 0.241 152 P C 0.592 177.907 177.300 0.026 0.000 1.780 152 P CA -0.313 62.807 63.100 0.033 0.000 1.111 152 P CB -0.295 31.419 31.700 0.024 0.000 1.852 153 C N 0.136 119.469 119.300 0.055 0.000 2.437 153 C HA -0.079 4.381 4.460 0.000 0.000 0.283 153 C C 2.195 177.213 174.990 0.047 0.000 1.424 153 C CA 0.653 59.702 59.018 0.052 0.000 1.782 153 C CB -1.932 25.892 27.740 0.139 0.000 1.833 153 C HN 0.471 nan 8.230 nan 0.000 0.532 154 S N -0.269 115.528 115.700 0.162 0.000 2.555 154 S HA -0.101 4.369 4.470 0.000 0.000 0.230 154 S C 1.536 176.170 174.600 0.057 0.000 0.978 154 S CA 1.102 59.449 58.200 0.246 0.000 0.934 154 S CB -1.272 62.057 63.200 0.216 0.000 0.766 154 S HN 0.765 nan 8.310 nan 0.000 0.533 155 C N 0.868 120.149 119.300 -0.032 0.000 2.403 155 C HA -0.112 4.349 4.460 0.000 0.000 0.277 155 C C 2.927 177.861 174.990 -0.093 0.000 1.248 155 C CA 0.643 59.634 59.018 -0.046 0.000 1.762 155 C CB -1.696 26.011 27.740 -0.055 0.000 2.014 155 C HN 0.758 nan 8.230 nan 0.000 0.486 156 C N -0.729 118.423 119.300 -0.247 0.000 2.485 156 C HA 0.081 4.541 4.460 0.000 0.000 0.278 156 C C 2.306 177.181 174.990 -0.191 0.000 1.356 156 C CA 0.409 59.258 59.018 -0.282 0.000 1.747 156 C CB -1.378 26.091 27.740 -0.452 0.000 2.001 156 C HN 0.630 nan 8.230 nan 0.000 0.501 157 F N 0.695 120.658 119.950 0.021 0.000 2.293 157 F HA 0.040 4.567 4.527 0.000 0.000 0.297 157 F C 1.324 177.138 175.800 0.023 0.000 1.089 157 F CA 0.275 58.287 58.000 0.020 0.000 1.377 157 F CB -0.148 38.862 39.000 0.016 0.000 1.051 157 F HN -0.048 nan 8.300 nan 0.000 0.511 158 R N 1.534 122.141 120.500 0.178 0.000 2.351 158 R HA 0.041 4.381 4.340 0.000 0.000 0.318 158 R C 1.288 177.641 176.300 0.088 0.000 1.055 158 R CA 0.320 56.490 56.100 0.116 0.000 0.968 158 R CB -0.309 30.045 30.300 0.091 0.000 0.974 158 R HN 0.238 nan 8.270 nan 0.000 0.439 159 T N -0.891 113.712 114.554 0.081 0.000 2.904 159 T HA -0.077 4.273 4.350 0.000 0.000 0.267 159 T C 1.828 176.563 174.700 0.058 0.000 1.059 159 T CA 1.085 63.225 62.100 0.068 0.000 1.137 159 T CB -0.025 68.880 68.868 0.061 0.000 0.879 159 T HN 0.564 nan 8.240 nan 0.000 0.467 160 G N 1.327 110.157 108.800 0.050 0.000 2.598 160 G HA2 0.384 4.344 3.960 0.000 0.000 0.215 160 G HA3 0.384 4.344 3.960 0.000 0.000 0.215 160 G C 0.625 175.552 174.900 0.044 0.000 1.131 160 G CA 0.137 45.260 45.100 0.039 0.000 0.785 160 G HN 0.877 nan 8.290 nan 0.000 0.539 161 A N 0.476 123.334 122.820 0.063 0.000 2.401 161 A HA 0.500 4.820 4.320 0.000 0.000 0.259 161 A C 1.361 179.003 177.584 0.096 0.000 1.103 161 A CA -0.325 51.766 52.037 0.090 0.000 0.789 161 A CB 0.324 19.378 19.000 0.091 0.000 1.035 161 A HN 0.590 nan 8.150 nan 0.000 0.491 162 I N -0.256 120.391 120.570 0.129 0.000 3.030 162 I HA 0.497 4.667 4.170 0.000 0.000 0.270 162 I C 0.741 176.916 176.117 0.098 0.000 1.211 162 I CA 0.829 62.202 61.300 0.121 0.000 1.479 162 I CB 0.088 38.136 38.000 0.079 0.000 1.105 162 I HN 0.521 nan 8.210 nan 0.000 0.447 163 A N 1.615 124.476 122.820 0.069 0.000 2.572 163 A HA 0.823 5.143 4.320 0.000 0.000 0.295 163 A C -0.710 176.859 177.584 -0.025 0.000 1.072 163 A CA -0.951 51.087 52.037 0.002 0.000 0.691 163 A CB 1.230 20.185 19.000 -0.075 0.000 1.291 163 A HN 0.386 nan 8.150 nan 0.000 0.404 164 R N 0.329 120.811 120.500 -0.030 0.000 2.711 164 R HA 0.761 5.101 4.340 0.000 0.000 0.284 164 R C -1.505 174.771 176.300 -0.041 0.000 0.968 164 R CA -0.742 55.334 56.100 -0.041 0.000 0.924 164 R CB 1.557 31.832 30.300 -0.041 0.000 1.162 164 R HN 0.270 nan 8.270 nan 0.000 0.465 165 V N 2.979 122.864 119.914 -0.049 0.000 2.348 165 V HA 0.316 4.437 4.120 0.000 0.000 0.270 165 V C -0.028 176.062 176.094 -0.006 0.000 1.037 165 V CA -0.546 61.726 62.300 -0.046 0.000 0.872 165 V CB 0.916 32.696 31.823 -0.071 0.000 1.002 165 V HN 0.638 nan 8.190 nan 0.000 0.464 166 V N 1.473 121.416 119.914 0.049 0.000 2.709 166 V HA 0.800 4.920 4.120 0.000 0.000 0.308 166 V C -1.116 175.076 176.094 0.164 0.000 1.062 166 V CA -0.811 61.538 62.300 0.083 0.000 0.901 166 V CB 2.110 33.977 31.823 0.074 0.000 1.003 166 V HN 0.726 nan 8.190 nan 0.000 0.425 167 D N 1.943 122.411 120.400 0.114 0.000 2.575 167 D HA 0.843 5.483 4.640 0.000 0.000 0.236 167 D C 0.134 176.496 176.300 0.103 0.000 1.075 167 D CA 0.598 54.684 54.000 0.143 0.000 0.860 167 D CB 1.830 42.666 40.800 0.061 0.000 1.475 167 D HN 1.471 nan 8.370 nan 0.000 0.474 168 G N -0.483 108.386 108.800 0.115 0.000 2.911 168 G HA2 -0.123 3.837 3.960 0.000 0.000 0.686 168 G HA3 -0.123 3.837 3.960 0.000 0.000 0.686 168 G C 0.616 175.533 174.900 0.028 0.000 1.136 168 G CA -0.555 44.581 45.100 0.059 0.000 0.764 168 G HN 0.406 nan 8.290 nan 0.000 0.626 169 V N 1.800 121.722 119.914 0.013 0.000 2.252 169 V HA -0.212 3.908 4.120 0.000 0.000 0.249 169 V C 2.684 178.766 176.094 -0.020 0.000 1.056 169 V CA 2.832 65.125 62.300 -0.013 0.000 1.022 169 V CB -0.367 31.453 31.823 -0.006 0.000 0.641 169 V HN 0.814 nan 8.190 nan 0.000 0.445 170 E N 0.259 120.454 120.200 -0.009 0.000 2.152 170 E HA -0.081 4.269 4.350 0.000 0.000 0.192 170 E C 2.331 178.923 176.600 -0.013 0.000 0.983 170 E CA 1.219 57.612 56.400 -0.011 0.000 0.818 170 E CB -0.592 29.104 29.700 -0.006 0.000 0.758 170 E HN 0.637 nan 8.360 nan 0.000 0.467 171 G N 1.832 110.630 108.800 -0.004 0.000 2.418 171 G HA2 -0.211 3.749 3.960 0.000 0.000 0.217 171 G HA3 -0.211 3.749 3.960 0.000 0.000 0.217 171 G C 1.824 176.718 174.900 -0.009 0.000 1.158 171 G CA 1.412 46.512 45.100 0.001 0.000 0.771 171 G HN 0.307 nan 8.290 nan 0.000 0.545 172 V N -1.786 118.114 119.914 -0.023 0.000 2.871 172 V HA 0.173 4.293 4.120 0.000 0.000 0.256 172 V C 2.402 178.457 176.094 -0.066 0.000 1.082 172 V CA 1.614 63.879 62.300 -0.059 0.000 1.105 172 V CB -0.421 31.309 31.823 -0.156 0.000 0.713 172 V HN 0.271 nan 8.190 nan 0.000 0.473 173 R N -0.461 120.007 120.500 -0.053 0.000 2.075 173 R HA -0.017 4.323 4.340 0.000 0.000 0.232 173 R C 2.264 178.541 176.300 -0.039 0.000 1.126 173 R CA 1.718 57.791 56.100 -0.046 0.000 0.963 173 R CB -0.375 29.904 30.300 -0.036 0.000 0.858 173 R HN 0.534 nan 8.270 nan 0.000 0.435 174 L N 0.728 121.932 121.223 -0.032 0.000 2.046 174 L HA -0.082 4.259 4.340 0.000 0.000 0.208 174 L C 2.185 179.034 176.870 -0.035 0.000 1.077 174 L CA 2.090 56.913 54.840 -0.030 0.000 0.747 174 L CB -0.818 41.227 42.059 -0.024 0.000 0.896 174 L HN 0.151 nan 8.230 nan 0.000 0.432 175 A N -1.146 121.653 122.820 -0.036 0.000 1.908 175 A HA -0.159 4.161 4.320 0.000 0.000 0.218 175 A C 2.278 179.836 177.584 -0.043 0.000 1.181 175 A CA 2.084 54.098 52.037 -0.038 0.000 0.627 175 A CB -1.129 17.853 19.000 -0.029 0.000 0.818 175 A HN 0.308 nan 8.150 nan 0.000 0.445 176 V N -0.115 119.771 119.914 -0.048 0.000 2.255 176 V HA -0.305 3.815 4.120 0.000 0.000 0.247 176 V C 2.637 178.704 176.094 -0.045 0.000 1.051 176 V CA 2.405 64.675 62.300 -0.050 0.000 1.018 176 V CB -0.845 30.944 31.823 -0.058 0.000 0.641 176 V HN 0.538 nan 8.190 nan 0.000 0.445 177 R N -0.337 120.138 120.500 -0.042 0.000 2.105 177 R HA -0.199 4.141 4.340 0.000 0.000 0.239 177 R C 2.338 178.612 176.300 -0.043 0.000 1.135 177 R CA 1.821 57.897 56.100 -0.039 0.000 0.967 177 R CB -0.291 29.988 30.300 -0.034 0.000 0.861 177 R HN 0.634 nan 8.270 nan 0.000 0.442 178 E N 0.028 120.202 120.200 -0.044 0.000 2.051 178 E HA -0.181 4.170 4.350 0.000 0.000 0.192 178 E C 1.915 178.485 176.600 -0.050 0.000 0.991 178 E CA 0.965 57.336 56.400 -0.048 0.000 0.799 178 E CB 0.099 29.769 29.700 -0.050 0.000 0.748 178 E HN 0.211 nan 8.360 nan 0.000 0.449 179 E N 0.402 120.576 120.200 -0.044 0.000 2.150 179 E HA -0.129 4.221 4.350 0.000 0.000 0.193 179 E C 2.055 178.633 176.600 -0.036 0.000 0.985 179 E CA 0.697 57.075 56.400 -0.036 0.000 0.814 179 E CB -0.076 29.604 29.700 -0.032 0.000 0.752 179 E HN 0.343 nan 8.360 nan 0.000 0.466 180 I N 1.030 121.575 120.570 -0.042 0.000 2.353 180 I HA -0.281 3.889 4.170 0.000 0.000 0.248 180 I C 2.503 178.585 176.117 -0.058 0.000 1.119 180 I CA 1.048 62.324 61.300 -0.040 0.000 1.417 180 I CB -0.029 37.950 38.000 -0.036 0.000 1.078 180 I HN 0.063 nan 8.210 nan 0.000 0.421 181 Q N 1.177 120.934 119.800 -0.073 0.000 2.230 181 Q HA -0.166 4.174 4.340 0.000 0.000 0.202 181 Q C 1.849 177.753 176.000 -0.160 0.000 0.963 181 Q CA 1.524 57.263 55.803 -0.107 0.000 0.866 181 Q CB -0.362 28.322 28.738 -0.090 0.000 0.931 181 Q HN 0.250 nan 8.270 nan 0.000 0.452 182 K N -0.396 119.931 120.400 -0.121 0.000 2.211 182 K HA 0.035 4.355 4.320 0.000 0.000 0.203 182 K C 0.655 177.162 176.600 -0.154 0.000 1.050 182 K CA 0.947 57.157 56.287 -0.127 0.000 0.945 182 K CB -0.083 32.389 32.500 -0.048 0.000 0.732 182 K HN 0.528 nan 8.250 nan 0.000 0.451 183 G N -0.309 108.435 108.800 -0.094 0.000 2.151 183 G HA2 -0.136 3.824 3.960 0.000 0.000 0.140 183 G HA3 -0.136 3.824 3.960 0.000 0.000 0.140 183 G C -0.041 174.942 174.900 0.138 0.000 1.020 183 G CA -0.243 44.849 45.100 -0.013 0.000 0.688 183 G HN 0.398 nan 8.290 nan 0.000 0.500 184 A N 0.514 123.376 122.820 0.070 0.000 2.498 184 A HA 0.604 4.924 4.320 0.000 0.000 0.239 184 A C 1.723 179.341 177.584 0.057 0.000 1.068 184 A CA 1.533 53.607 52.037 0.061 0.000 0.766 184 A CB 0.277 19.283 19.000 0.011 0.000 1.003 184 A HN 1.432 nan 8.150 nan 0.000 0.497 185 T N -0.817 113.782 114.554 0.075 0.000 3.035 185 T HA 0.143 4.494 4.350 0.000 0.000 0.259 185 T C 0.633 175.305 174.700 -0.046 0.000 1.078 185 T CA 1.041 63.191 62.100 0.084 0.000 1.132 185 T CB -0.123 68.882 68.868 0.228 0.000 0.900 185 T HN 0.930 nan 8.240 nan 0.000 0.480 186 Q N -0.098 119.613 119.800 -0.148 0.000 2.626 186 Q HA 0.533 4.873 4.340 0.000 0.000 0.300 186 Q C -1.518 174.327 176.000 -0.258 0.000 0.988 186 Q CA -1.074 54.502 55.803 -0.379 0.000 0.761 186 Q CB 1.159 29.349 28.738 -0.913 0.000 1.494 186 Q HN 0.172 nan 8.270 nan 0.000 0.439 190 M N 3.006 122.764 119.600 0.264 0.000 2.036 190 M HA 0.469 4.950 4.480 0.000 0.000 0.337 190 M C 0.419 176.878 176.300 0.265 0.000 1.012 190 M CA -0.320 55.131 55.300 0.251 0.000 0.962 190 M CB 0.849 33.534 32.600 0.142 0.000 1.423 190 M HN 0.893 nan 8.290 nan 0.000 0.405 191 A N 2.363 125.338 122.820 0.259 0.000 2.308 191 A HA 0.363 4.683 4.320 0.000 0.000 0.217 191 A C 0.777 178.446 177.584 0.141 0.000 1.216 191 A CA 0.410 52.563 52.037 0.193 0.000 0.864 191 A CB 0.161 19.245 19.000 0.140 0.000 0.902 191 A HN 0.779 nan 8.150 nan 0.000 0.499 192 S N -2.361 113.449 115.700 0.182 0.000 2.643 192 S HA 0.632 5.102 4.470 0.000 0.000 0.270 192 S C 0.144 174.857 174.600 0.189 0.000 1.166 192 S CA -0.153 58.132 58.200 0.142 0.000 0.815 192 S CB 0.496 63.752 63.200 0.092 0.000 1.139 192 S HN 0.946 nan 8.310 nan 0.000 0.472 193 G N -0.709 108.177 108.800 0.143 0.000 2.569 193 G HA2 0.578 4.538 3.960 0.000 0.000 0.249 193 G HA3 0.578 4.538 3.960 0.000 0.000 0.249 193 G C 0.307 175.319 174.900 0.188 0.000 1.216 193 G CA -0.083 45.100 45.100 0.138 0.000 0.845 193 G HN 1.234 nan 8.290 nan 0.000 0.568 194 G N -1.481 107.377 108.800 0.096 0.000 3.021 194 G HA2 0.441 4.401 3.960 0.000 0.000 0.290 194 G HA3 0.441 4.401 3.960 0.000 0.000 0.290 194 G C 0.482 175.487 174.900 0.175 0.000 1.291 194 G CA 0.247 45.394 45.100 0.078 0.000 0.834 194 G HN 0.577 nan 8.290 nan 0.000 0.564 195 V N 0.745 120.813 119.914 0.257 0.000 2.300 195 V HA 0.166 4.286 4.120 0.000 0.000 0.241 195 V C 2.698 178.941 176.094 0.248 0.000 1.034 195 V CA 1.981 64.402 62.300 0.202 0.000 1.021 195 V CB -0.251 31.689 31.823 0.196 0.000 0.662 195 V HN 0.801 nan 8.190 nan 0.000 0.458 196 A N 0.801 123.830 122.820 0.348 0.000 2.416 196 A HA 0.376 4.696 4.320 0.000 0.000 0.252 196 A C 0.728 178.435 177.584 0.205 0.000 1.353 196 A CA 0.512 52.666 52.037 0.196 0.000 0.996 196 A CB -0.691 18.378 19.000 0.114 0.000 0.961 196 A HN 0.574 nan 8.150 nan 0.000 0.523 197 S N -1.405 114.437 115.700 0.238 0.000 2.536 197 S HA 0.633 5.103 4.470 0.000 0.000 0.287 197 S C -2.151 172.543 174.600 0.157 0.000 1.101 197 S CA -1.227 57.103 58.200 0.218 0.000 0.950 197 S CB 2.210 65.464 63.200 0.090 0.000 1.056 197 S HN 0.065 nan 8.310 nan 0.000 0.481 198 P HA -0.037 nan 4.420 nan 0.000 0.215 198 P C 1.212 178.547 177.300 0.058 0.000 1.157 198 P CA 1.627 64.778 63.100 0.084 0.000 0.859 198 P CB -0.397 31.351 31.700 0.080 0.000 0.786 199 T N -2.887 111.695 114.554 0.046 0.000 3.145 199 T HA 0.131 4.481 4.350 0.000 0.000 0.255 199 T C -0.027 174.688 174.700 0.024 0.000 1.039 199 T CA -0.493 61.622 62.100 0.025 0.000 0.928 199 T CB -0.672 68.201 68.868 0.008 0.000 1.029 199 T HN 0.131 nan 8.240 nan 0.000 0.554 200 D N 0.165 120.592 120.400 0.044 0.000 2.936 200 D HA 0.387 5.027 4.640 0.000 0.000 0.238 200 D C -3.439 172.891 176.300 0.050 0.000 1.248 200 D CA -1.983 52.044 54.000 0.044 0.000 0.903 200 D CB 1.980 42.812 40.800 0.054 0.000 1.544 200 D HN 0.004 nan 8.370 nan 0.000 0.543 201 P HA 0.249 nan 4.420 nan 0.000 0.272 201 P C 1.054 178.361 177.300 0.012 0.000 1.230 201 P CA -0.480 62.626 63.100 0.009 0.000 0.788 201 P CB 1.306 33.005 31.700 -0.002 0.000 0.949 202 I N 0.821 121.375 120.570 -0.027 0.000 2.286 202 I HA -0.224 3.946 4.170 0.000 0.000 0.245 202 I C 2.160 178.273 176.117 -0.007 0.000 1.104 202 I CA 1.567 62.839 61.300 -0.047 0.000 1.397 202 I CB -0.500 37.374 38.000 -0.211 0.000 1.072 202 I HN 0.362 nan 8.210 nan 0.000 0.417 203 A N 1.265 124.072 122.820 -0.022 0.000 1.972 203 A HA -0.149 4.171 4.320 0.000 0.000 0.219 203 A C 1.077 178.668 177.584 0.012 0.000 1.169 203 A CA 1.088 53.119 52.037 -0.009 0.000 0.635 203 A CB -1.027 17.961 19.000 -0.020 0.000 0.810 203 A HN 0.628 nan 8.150 nan 0.000 0.446 204 N N 0.397 119.107 118.700 0.016 0.000 2.467 204 N HA 0.221 4.961 4.740 0.000 0.000 0.262 204 N C -0.172 175.358 175.510 0.034 0.000 1.234 204 N CA 0.514 53.575 53.050 0.020 0.000 0.952 204 N CB 0.440 38.934 38.487 0.012 0.000 1.158 204 N HN 0.254 nan 8.380 nan 0.000 0.463 205 T N -2.142 112.430 114.554 0.030 0.000 2.929 205 T HA 0.329 4.679 4.350 0.000 0.000 0.284 205 T C -0.307 174.413 174.700 0.033 0.000 1.014 205 T CA -0.809 61.316 62.100 0.042 0.000 1.051 205 T CB 1.652 70.545 68.868 0.041 0.000 1.028 205 T HN 0.578 nan 8.240 nan 0.000 0.485 206 Q N 0.636 120.465 119.800 0.048 0.000 2.377 206 Q HA 0.545 4.885 4.340 0.000 0.000 0.271 206 Q C -1.394 174.656 176.000 0.083 0.000 1.077 206 Q CA -0.944 54.858 55.803 -0.003 0.000 0.820 206 Q CB 2.036 30.743 28.738 -0.053 0.000 1.347 206 Q HN 0.836 nan 8.270 nan 0.000 0.444 207 Y N -0.808 119.507 120.300 0.025 0.000 2.513 207 Y HA -0.316 4.234 4.550 0.000 0.000 0.021 207 Y C 0.152 176.061 175.900 0.015 0.000 1.708 207 Y CA 0.331 58.441 58.100 0.017 0.000 1.415 207 Y CB -0.457 38.014 38.460 0.018 0.000 2.060 207 Y HN 0.766 nan 8.280 nan 0.000 0.255 208 S N 0.629 116.467 115.700 0.230 0.000 2.652 208 S HA 0.309 4.779 4.470 0.000 0.000 0.270 208 S C 0.675 175.328 174.600 0.088 0.000 1.243 208 S CA -0.205 58.066 58.200 0.118 0.000 0.999 208 S CB 1.762 65.013 63.200 0.086 0.000 0.973 208 S HN 0.683 nan 8.310 nan 0.000 0.544 209 E N 0.655 120.887 120.200 0.053 0.000 2.118 209 E HA -0.171 4.179 4.350 0.000 0.000 0.195 209 E C 0.979 177.586 176.600 0.012 0.000 0.992 209 E CA 1.592 58.010 56.400 0.030 0.000 0.804 209 E CB -0.198 29.516 29.700 0.024 0.000 0.741 209 E HN 0.694 nan 8.360 nan 0.000 0.458 210 D N 0.593 121.002 120.400 0.015 0.000 2.178 210 D HA -0.135 4.505 4.640 0.000 0.000 0.202 210 D C 1.533 177.822 176.300 -0.020 0.000 0.974 210 D CA 0.931 54.932 54.000 0.002 0.000 0.841 210 D CB -0.120 40.686 40.800 0.010 0.000 0.953 210 D HN 0.233 nan 8.370 nan 0.000 0.478 211 E N -0.190 119.998 120.200 -0.020 0.000 2.107 211 E HA -0.031 4.319 4.350 0.000 0.000 0.191 211 E C 2.135 178.617 176.600 -0.197 0.000 0.982 211 E CA 0.378 56.717 56.400 -0.102 0.000 0.809 211 E CB 0.078 29.741 29.700 -0.062 0.000 0.756 211 E HN 0.304 nan 8.360 nan 0.000 0.459 212 I N 0.537 121.031 120.570 -0.127 0.000 2.233 212 I HA -0.215 3.955 4.170 0.000 0.000 0.243 212 I C 2.425 178.496 176.117 -0.076 0.000 1.093 212 I CA 0.886 62.116 61.300 -0.117 0.000 1.380 212 I CB -0.210 37.768 38.000 -0.037 0.000 1.067 212 I HN -0.024 nan 8.210 nan 0.000 0.413 213 R N 0.915 121.389 120.500 -0.044 0.000 2.105 213 R HA -0.168 4.172 4.340 0.000 0.000 0.239 213 R C 2.473 178.751 176.300 -0.037 0.000 1.135 213 R CA 1.523 57.607 56.100 -0.027 0.000 0.967 213 R CB -0.482 29.811 30.300 -0.012 0.000 0.861 213 R HN 0.398 nan 8.270 nan 0.000 0.442 214 A N 1.166 123.953 122.820 -0.053 0.000 1.883 214 A HA -0.177 4.143 4.320 0.000 0.000 0.217 214 A C 2.136 179.679 177.584 -0.068 0.000 1.186 214 A CA 1.355 53.358 52.037 -0.057 0.000 0.624 214 A CB -0.482 18.478 19.000 -0.066 0.000 0.822 214 A HN 0.191 nan 8.150 nan 0.000 0.444 215 I N -0.676 119.832 120.570 -0.102 0.000 2.179 215 I HA -0.212 3.958 4.170 0.000 0.000 0.242 215 I C 2.396 178.475 176.117 -0.063 0.000 1.088 215 I CA 1.144 62.382 61.300 -0.104 0.000 1.357 215 I CB -0.307 37.595 38.000 -0.162 0.000 1.051 215 I HN 0.158 nan 8.210 nan 0.000 0.409 216 V N 0.843 120.729 119.914 -0.046 0.000 2.332 216 V HA -0.334 3.787 4.120 0.000 0.000 0.248 216 V C 2.057 178.148 176.094 -0.006 0.000 1.055 216 V CA 2.139 64.431 62.300 -0.014 0.000 1.038 216 V CB -0.677 31.147 31.823 0.002 0.000 0.651 216 V HN 0.417 nan 8.190 nan 0.000 0.450 217 D N -0.457 119.935 120.400 -0.013 0.000 2.117 217 D HA -0.130 4.510 4.640 0.000 0.000 0.197 217 D C 2.283 178.576 176.300 -0.011 0.000 0.987 217 D CA 0.999 54.994 54.000 -0.007 0.000 0.829 217 D CB -0.204 40.590 40.800 -0.011 0.000 0.961 217 D HN 0.385 nan 8.370 nan 0.000 0.460 218 E N 0.141 120.328 120.200 -0.023 0.000 2.274 218 E HA 0.017 4.367 4.350 0.000 0.000 0.194 218 E C 1.907 178.493 176.600 -0.023 0.000 0.996 218 E CA 0.408 56.793 56.400 -0.025 0.000 0.840 218 E CB -0.004 29.675 29.700 -0.035 0.000 0.772 218 E HN 0.215 nan 8.360 nan 0.000 0.491 219 A N 1.192 123.997 122.820 -0.024 0.000 1.898 219 A HA -0.128 4.192 4.320 0.000 0.000 0.214 219 A C 2.022 179.608 177.584 0.003 0.000 1.183 219 A CA 1.006 53.029 52.037 -0.024 0.000 0.622 219 A CB -0.307 18.670 19.000 -0.039 0.000 0.824 219 A HN 0.141 nan 8.150 nan 0.000 0.444 220 E N -0.054 120.155 120.200 0.016 0.000 2.118 220 E HA -0.134 4.216 4.350 0.000 0.000 0.195 220 E C 1.946 178.557 176.600 0.019 0.000 0.992 220 E CA 0.948 57.366 56.400 0.029 0.000 0.804 220 E CB -0.262 29.456 29.700 0.030 0.000 0.741 220 E HN 0.589 nan 8.360 nan 0.000 0.458 221 A N 0.411 123.235 122.820 0.008 0.000 2.239 221 A HA 0.138 4.458 4.320 0.000 0.000 0.209 221 A C 1.661 179.247 177.584 0.003 0.000 1.171 221 A CA 1.038 53.077 52.037 0.004 0.000 0.768 221 A CB -0.067 18.932 19.000 -0.003 0.000 0.790 221 A HN 0.214 nan 8.150 nan 0.000 0.478 222 A N -0.600 122.224 122.820 0.005 0.000 2.609 222 A HA 0.391 4.711 4.320 0.000 0.000 0.286 222 A C 0.418 178.014 177.584 0.020 0.000 1.138 222 A CA -0.066 51.975 52.037 0.006 0.000 0.960 222 A CB -0.120 18.877 19.000 -0.005 0.000 1.208 222 A HN 0.346 nan 8.150 nan 0.000 0.541 223 N N 0.341 119.058 118.700 0.028 0.000 2.721 223 N HA -0.143 4.597 4.740 0.000 0.000 0.249 223 N C 0.102 175.653 175.510 0.068 0.000 1.072 223 N CA 1.737 54.813 53.050 0.044 0.000 0.710 223 N CB -1.580 36.931 38.487 0.039 0.000 0.993 223 N HN 0.674 nan 8.380 nan 0.000 0.547 224 T N -1.628 112.968 114.554 0.070 0.000 2.591 224 T HA 0.732 5.083 4.350 0.000 0.000 0.274 224 T C -1.212 173.582 174.700 0.157 0.000 0.945 224 T CA -0.455 61.715 62.100 0.115 0.000 1.087 224 T CB 1.231 70.106 68.868 0.011 0.000 1.416 224 T HN 0.220 nan 8.240 nan 0.000 0.514 225 Y N -1.418 118.875 120.300 -0.012 0.000 2.669 225 Y HA 0.855 5.405 4.550 0.000 0.000 0.335 225 Y C -1.504 174.391 175.900 -0.009 0.000 1.116 225 Y CA -1.285 56.811 58.100 -0.007 0.000 1.081 225 Y CB 0.891 39.346 38.460 -0.008 0.000 1.297 225 Y HN 0.340 nan 8.280 nan 0.000 0.484 226 V N 3.725 123.680 119.914 0.068 0.000 2.448 226 V HA 0.388 4.508 4.120 0.000 0.000 0.295 226 V C -0.148 176.002 176.094 0.093 0.000 1.025 226 V CA -0.914 61.373 62.300 -0.022 0.000 0.859 226 V CB 1.478 33.303 31.823 0.004 0.000 0.988 226 V HN 0.818 nan 8.190 nan 0.000 0.431 227 M N 3.731 123.342 119.600 0.018 0.000 2.209 227 M HA 0.916 5.397 4.480 0.000 0.000 0.355 227 M C -0.398 175.952 176.300 0.084 0.000 1.171 227 M CA -0.371 54.983 55.300 0.090 0.000 1.069 227 M CB 1.603 34.246 32.600 0.071 0.000 1.622 227 M HN 0.549 nan 8.290 nan 0.000 0.459 228 A N 1.761 124.644 122.820 0.104 0.000 2.343 228 A HA 0.499 4.820 4.320 0.000 0.000 0.316 228 A C -1.323 176.351 177.584 0.150 0.000 1.104 228 A CA -0.681 51.432 52.037 0.126 0.000 0.768 228 A CB 0.630 19.688 19.000 0.096 0.000 1.213 228 A HN 0.986 nan 8.150 nan 0.000 0.456 229 H N 1.849 120.983 119.070 0.107 0.000 2.800 229 H HA 0.606 5.162 4.556 0.000 0.000 0.291 229 H C -0.126 175.204 175.328 0.004 0.000 1.076 229 H CA 0.777 56.891 56.048 0.110 0.000 1.452 229 H CB 0.483 30.350 29.762 0.176 0.000 1.461 229 H HN 0.885 nan 8.280 nan 0.000 0.488 230 A N 4.710 127.296 122.820 -0.390 0.000 2.547 230 A HA 0.385 4.705 4.320 0.000 0.000 0.297 230 A C -1.417 175.913 177.584 -0.423 0.000 1.056 230 A CA -0.705 51.135 52.037 -0.327 0.000 0.688 230 A CB 0.672 19.621 19.000 -0.085 0.000 1.282 230 A HN 0.711 nan 8.150 nan 0.000 0.400 231 Y N 0.686 120.890 120.300 -0.161 0.000 2.569 231 Y HA 0.155 4.705 4.550 0.000 0.000 0.278 231 Y C 1.977 177.838 175.900 -0.065 0.000 1.130 231 Y CA 1.368 59.394 58.100 -0.123 0.000 1.280 231 Y CB -0.171 38.190 38.460 -0.166 0.000 1.379 231 Y HN 0.720 nan 8.280 nan 0.000 0.508 232 T N -1.145 113.482 114.554 0.123 0.000 2.899 232 T HA 0.286 4.637 4.350 0.000 0.000 0.295 232 T C 1.599 176.322 174.700 0.037 0.000 1.033 232 T CA -0.007 62.126 62.100 0.055 0.000 1.084 232 T CB 1.391 70.279 68.868 0.033 0.000 0.979 232 T HN 0.415 nan 8.240 nan 0.000 0.532 233 G N 0.472 109.284 108.800 0.021 0.000 2.432 233 G HA2 -0.212 3.748 3.960 0.000 0.000 0.219 233 G HA3 -0.212 3.748 3.960 0.000 0.000 0.219 233 G C 1.516 176.424 174.900 0.014 0.000 1.135 233 G CA 0.571 45.681 45.100 0.017 0.000 0.767 233 G HN 0.828 nan 8.290 nan 0.000 0.550 234 R N 0.520 121.027 120.500 0.012 0.000 2.073 234 R HA 0.017 4.357 4.340 0.000 0.000 0.234 234 R C 2.767 179.076 176.300 0.015 0.000 1.134 234 R CA 1.535 57.641 56.100 0.011 0.000 0.952 234 R CB -0.374 29.932 30.300 0.010 0.000 0.850 234 R HN 0.273 nan 8.270 nan 0.000 0.433 235 A N 0.499 123.332 122.820 0.022 0.000 2.014 235 A HA -0.030 4.290 4.320 0.000 0.000 0.218 235 A C 2.070 179.666 177.584 0.020 0.000 1.163 235 A CA 0.870 52.923 52.037 0.027 0.000 0.652 235 A CB -0.246 18.775 19.000 0.036 0.000 0.808 235 A HN 0.347 nan 8.150 nan 0.000 0.449 236 I N -0.429 120.151 120.570 0.016 0.000 2.233 236 I HA -0.190 3.980 4.170 0.000 0.000 0.243 236 I C 2.934 179.047 176.117 -0.006 0.000 1.093 236 I CA 0.985 62.292 61.300 0.012 0.000 1.380 236 I CB -0.236 37.785 38.000 0.035 0.000 1.067 236 I HN 0.313 nan 8.210 nan 0.000 0.413 237 A N 1.670 124.485 122.820 -0.009 0.000 1.933 237 A HA -0.237 4.083 4.320 0.000 0.000 0.218 237 A C 2.290 179.842 177.584 -0.054 0.000 1.175 237 A CA 2.039 54.054 52.037 -0.037 0.000 0.628 237 A CB -0.649 18.340 19.000 -0.018 0.000 0.814 237 A HN 0.509 nan 8.150 nan 0.000 0.444 238 R N -0.169 120.317 120.500 -0.022 0.000 2.092 238 R HA 0.184 4.524 4.340 0.000 0.000 0.231 238 R C 2.119 178.407 176.300 -0.019 0.000 1.119 238 R CA 1.455 57.546 56.100 -0.015 0.000 0.970 238 R CB -0.804 29.501 30.300 0.009 0.000 0.864 238 R HN 0.284 nan 8.270 nan 0.000 0.440 239 A N 1.277 124.091 122.820 -0.010 0.000 1.898 239 A HA -0.032 4.288 4.320 0.000 0.000 0.216 239 A C 2.403 179.966 177.584 -0.035 0.000 1.181 239 A CA 1.479 53.515 52.037 -0.002 0.000 0.620 239 A CB -0.592 18.419 19.000 0.019 0.000 0.819 239 A HN 0.162 nan 8.150 nan 0.000 0.442 240 V N -0.139 119.727 119.914 -0.080 0.000 2.427 240 V HA -0.193 3.927 4.120 0.000 0.000 0.248 240 V C 2.569 178.482 176.094 -0.302 0.000 1.051 240 V CA 1.953 64.157 62.300 -0.160 0.000 1.048 240 V CB -0.740 30.976 31.823 -0.179 0.000 0.666 240 V HN 0.494 nan 8.190 nan 0.000 0.456 241 R N -1.081 119.253 120.500 -0.277 0.000 2.189 241 R HA -0.107 4.234 4.340 0.000 0.000 0.223 241 R C 1.997 178.269 176.300 -0.046 0.000 1.092 241 R CA 1.480 57.456 56.100 -0.207 0.000 0.989 241 R CB -0.377 29.861 30.300 -0.103 0.000 0.876 241 R HN 0.464 nan 8.270 nan 0.000 0.457 242 C N -0.575 118.704 119.300 -0.035 0.000 2.626 242 C HA 0.243 4.703 4.460 0.000 0.000 0.266 242 C C 1.269 176.267 174.990 0.014 0.000 1.317 242 C CA 0.428 59.445 59.018 -0.001 0.000 1.716 242 C CB -0.345 27.394 27.740 -0.002 0.000 1.819 242 C HN 0.763 nan 8.230 nan 0.000 0.578 243 G N 1.108 109.918 108.800 0.016 0.000 2.167 243 G HA2 -0.129 3.832 3.960 0.000 0.000 0.194 243 G HA3 -0.129 3.832 3.960 0.000 0.000 0.194 243 G C -0.018 174.915 174.900 0.055 0.000 1.027 243 G CA 0.208 45.338 45.100 0.051 0.000 0.717 243 G HN 0.978 nan 8.290 nan 0.000 0.501 244 V N -1.822 118.118 119.914 0.043 0.000 2.583 244 V HA 0.696 4.816 4.120 0.000 0.000 0.287 244 V C 1.459 177.615 176.094 0.103 0.000 1.051 244 V CA 0.343 62.688 62.300 0.074 0.000 1.010 244 V CB 1.525 33.384 31.823 0.060 0.000 0.988 244 V HN 0.382 nan 8.190 nan 0.000 0.478 245 R N 2.723 123.324 120.500 0.168 0.000 2.066 245 R HA 0.099 4.439 4.340 0.000 0.000 0.224 245 R C 0.976 177.403 176.300 0.212 0.000 1.122 245 R CA 1.269 57.479 56.100 0.184 0.000 0.974 245 R CB 0.035 30.439 30.300 0.174 0.000 0.871 245 R HN 0.992 nan 8.270 nan 0.000 0.435 246 T N -1.332 113.345 114.554 0.204 0.000 2.856 246 T HA 0.476 4.826 4.350 0.000 0.000 0.283 246 T C -0.255 174.505 174.700 0.101 0.000 1.008 246 T CA -0.918 61.280 62.100 0.163 0.000 0.997 246 T CB 1.725 70.665 68.868 0.120 0.000 0.992 246 T HN -0.096 nan 8.240 nan 0.000 0.454 247 I N 3.177 123.774 120.570 0.044 0.000 2.339 247 I HA 0.354 4.524 4.170 0.000 0.000 0.290 247 I C 0.179 176.268 176.117 -0.047 0.000 0.994 247 I CA -0.695 60.606 61.300 0.002 0.000 1.191 247 I CB 1.604 39.593 38.000 -0.018 0.000 1.343 247 I HN 0.746 nan 8.210 nan 0.000 0.458 248 E N 6.564 126.734 120.200 -0.050 0.000 2.301 248 E HA 0.273 4.623 4.350 0.000 0.000 0.275 248 E C 0.605 177.017 176.600 -0.314 0.000 1.030 248 E CA -0.234 56.044 56.400 -0.204 0.000 0.852 248 E CB 0.858 30.500 29.700 -0.098 0.000 1.060 248 E HN 0.522 nan 8.360 nan 0.000 0.401 249 H N 1.770 120.740 119.070 -0.167 0.000 1.472 249 H HA -0.302 4.254 4.556 0.000 0.000 0.090 249 H C 1.057 176.348 175.328 -0.061 0.000 0.607 249 H CA 1.475 57.434 56.048 -0.149 0.000 1.899 249 H CB -1.456 28.079 29.762 -0.379 0.000 2.254 249 H HN 0.857 nan 8.280 nan 0.000 0.961 250 G N 1.743 110.557 108.800 0.024 0.000 2.221 250 G HA2 -0.352 3.608 3.960 0.000 0.000 0.265 250 G HA3 -0.352 3.608 3.960 0.000 0.000 0.265 250 G C 0.636 175.671 174.900 0.225 0.000 1.041 250 G CA 1.181 46.365 45.100 0.140 0.000 0.807 250 G HN 0.639 nan 8.290 nan 0.000 0.502 251 N N -0.306 118.523 118.700 0.216 0.000 2.223 251 N HA 0.002 4.742 4.740 0.000 0.000 0.185 251 N C 1.602 177.129 175.510 0.028 0.000 1.016 251 N CA 1.323 54.444 53.050 0.118 0.000 0.863 251 N CB -0.093 38.417 38.487 0.039 0.000 0.983 251 N HN 0.595 nan 8.380 nan 0.000 0.429 252 L N 0.700 121.956 121.223 0.054 0.000 3.108 252 L HA 0.333 4.673 4.340 0.000 0.000 0.251 252 L C -0.371 176.488 176.870 -0.017 0.000 1.315 252 L CA -0.575 54.259 54.840 -0.011 0.000 1.048 252 L CB -0.093 41.953 42.059 -0.021 0.000 1.432 252 L HN -0.094 nan 8.230 nan 0.000 0.543 253 V N -2.379 117.508 119.914 -0.044 0.000 2.924 253 V HA 0.265 4.385 4.120 0.000 0.000 0.305 253 V C 0.036 176.077 176.094 -0.088 0.000 1.073 253 V CA -0.739 61.524 62.300 -0.062 0.000 1.098 253 V CB 0.693 32.436 31.823 -0.133 0.000 1.000 253 V HN 0.446 nan 8.190 nan 0.000 0.484 254 D N 1.499 121.865 120.400 -0.057 0.000 2.384 254 D HA 0.364 5.004 4.640 0.000 0.000 0.250 254 D C 0.806 177.073 176.300 -0.056 0.000 1.029 254 D CA -0.557 53.409 54.000 -0.057 0.000 0.990 254 D CB 0.907 41.687 40.800 -0.034 0.000 1.175 254 D HN 0.630 nan 8.370 nan 0.000 0.532 255 E N 0.242 120.411 120.200 -0.051 0.000 2.358 255 E HA -0.126 4.224 4.350 0.000 0.000 0.195 255 E C 1.615 178.208 176.600 -0.012 0.000 1.010 255 E CA 0.612 56.987 56.400 -0.041 0.000 0.856 255 E CB -0.300 29.373 29.700 -0.046 0.000 0.795 255 E HN 0.498 nan 8.360 nan 0.000 0.504 256 A N 2.134 124.950 122.820 -0.006 0.000 1.873 256 A HA 0.098 4.418 4.320 0.000 0.000 0.215 256 A C 2.520 180.119 177.584 0.024 0.000 1.186 256 A CA 1.822 53.865 52.037 0.009 0.000 0.616 256 A CB -0.665 18.338 19.000 0.005 0.000 0.823 256 A HN 0.359 nan 8.150 nan 0.000 0.442 257 A N -0.296 122.536 122.820 0.020 0.000 1.969 257 A HA 0.215 4.535 4.320 0.000 0.000 0.218 257 A C 2.393 180.019 177.584 0.069 0.000 1.169 257 A CA 1.871 53.928 52.037 0.035 0.000 0.635 257 A CB -0.774 18.244 19.000 0.030 0.000 0.810 257 A HN 0.996 nan 8.150 nan 0.000 0.445 258 A N -0.552 122.309 122.820 0.068 0.000 1.968 258 A HA -0.053 4.267 4.320 0.000 0.000 0.217 258 A C 2.111 179.762 177.584 0.112 0.000 1.169 258 A CA 1.601 53.709 52.037 0.117 0.000 0.638 258 A CB -0.315 18.722 19.000 0.062 0.000 0.812 258 A HN 0.468 nan 8.150 nan 0.000 0.446 259 K N -0.528 119.916 120.400 0.075 0.000 2.062 259 K HA -0.067 4.253 4.320 0.000 0.000 0.205 259 K C 1.898 178.583 176.600 0.141 0.000 1.051 259 K CA 1.338 57.676 56.287 0.086 0.000 0.941 259 K CB -0.266 32.263 32.500 0.048 0.000 0.719 259 K HN 0.374 nan 8.250 nan 0.000 0.440 260 L N 1.231 122.526 121.223 0.119 0.000 2.083 260 L HA -0.143 4.197 4.340 0.000 0.000 0.209 260 L C 2.353 179.331 176.870 0.181 0.000 1.083 260 L CA 1.380 56.315 54.840 0.159 0.000 0.752 260 L CB -0.152 41.950 42.059 0.071 0.000 0.899 260 L HN 0.245 nan 8.230 nan 0.000 0.433 261 M N -1.700 117.969 119.600 0.115 0.000 2.117 261 M HA -0.249 4.231 4.480 0.000 0.000 0.262 261 M C 2.343 178.691 176.300 0.080 0.000 1.065 261 M CA 1.902 57.252 55.300 0.083 0.000 1.114 261 M CB -0.620 32.027 32.600 0.079 0.000 1.361 261 M HN 0.447 nan 8.290 nan 0.000 0.408 262 H N 0.332 119.415 119.070 0.022 0.000 2.353 262 H HA -0.129 4.427 4.556 0.000 0.000 0.300 262 H C 1.688 177.007 175.328 -0.015 0.000 1.090 262 H CA 2.152 58.191 56.048 -0.015 0.000 1.327 262 H CB 0.117 29.879 29.762 0.000 0.000 1.383 262 H HN 0.405 nan 8.280 nan 0.000 0.508 263 E N -1.118 119.104 120.200 0.037 0.000 2.152 263 E HA -0.114 4.237 4.350 0.000 0.000 0.192 263 E C 1.382 177.905 176.600 -0.129 0.000 0.983 263 E CA 0.911 57.279 56.400 -0.053 0.000 0.818 263 E CB 0.102 29.828 29.700 0.043 0.000 0.758 263 E HN 0.669 nan 8.360 nan 0.000 0.467 264 H N -0.910 118.110 119.070 -0.084 0.000 2.539 264 H HA 0.180 4.736 4.556 0.000 0.000 0.267 264 H C 0.904 176.158 175.328 -0.124 0.000 0.982 264 H CA 0.666 56.667 56.048 -0.078 0.000 1.146 264 H CB 0.615 30.353 29.762 -0.040 0.000 1.382 264 H HN 0.256 nan 8.280 nan 0.000 0.577 265 G N 0.231 108.962 108.800 -0.115 0.000 2.221 265 G HA2 -0.224 3.736 3.960 0.000 0.000 0.265 265 G HA3 -0.224 3.736 3.960 0.000 0.000 0.265 265 G C 0.260 174.981 174.900 -0.299 0.000 1.041 265 G CA 0.233 45.189 45.100 -0.240 0.000 0.807 265 G HN 0.682 nan 8.290 nan 0.000 0.502 266 A N -0.836 121.858 122.820 -0.209 0.000 2.293 266 A HA 0.888 5.208 4.320 0.000 0.000 0.302 266 A C -0.027 177.371 177.584 -0.311 0.000 1.119 266 A CA -0.444 51.495 52.037 -0.163 0.000 0.823 266 A CB 0.783 19.766 19.000 -0.029 0.000 1.097 266 A HN 0.552 nan 8.150 nan 0.000 0.491 267 F N -0.024 119.878 119.950 -0.079 0.000 2.450 267 F HA 0.588 5.115 4.527 0.000 0.000 0.328 267 F C 0.196 175.902 175.800 -0.158 0.000 1.068 267 F CA -0.474 57.458 58.000 -0.113 0.000 1.007 267 F CB 1.983 40.913 39.000 -0.118 0.000 1.251 267 F HN 0.269 nan 8.300 nan 0.000 0.492 268 V N 1.774 121.673 119.914 -0.026 0.000 2.588 268 V HA 0.434 4.554 4.120 0.000 0.000 0.304 268 V C -0.867 175.142 176.094 -0.140 0.000 1.042 268 V CA -0.887 61.283 62.300 -0.216 0.000 0.877 268 V CB 1.808 33.219 31.823 -0.687 0.000 0.996 268 V HN 0.464 nan 8.190 nan 0.000 0.425 269 V N 6.116 125.955 119.914 -0.125 0.000 2.257 269 V HA 0.336 4.456 4.120 0.000 0.000 0.269 269 V C -2.418 173.573 176.094 -0.172 0.000 1.040 269 V CA -1.757 60.472 62.300 -0.118 0.000 0.813 269 V CB 1.043 32.828 31.823 -0.062 0.000 1.065 269 V HN 0.716 nan 8.190 nan 0.000 0.457 270 P HA 0.298 nan 4.420 nan 0.000 0.274 270 P C 0.218 177.451 177.300 -0.112 0.000 1.231 270 P CA -0.013 63.055 63.100 -0.052 0.000 0.790 270 P CB 0.574 32.292 31.700 0.031 0.000 0.951 271 T N -1.292 113.257 114.554 -0.009 0.000 3.585 271 T HA 0.311 4.662 4.350 0.000 0.000 0.252 271 T C 0.905 175.640 174.700 0.058 0.000 1.382 271 T CA -0.437 61.614 62.100 -0.082 0.000 1.584 271 T CB -0.956 67.793 68.868 -0.199 0.000 0.892 271 T HN 0.099 nan 8.240 nan 0.000 0.671 272 L N 0.273 121.536 121.223 0.067 0.000 2.201 272 L HA 0.022 4.362 4.340 0.000 0.000 0.212 272 L C 2.647 179.591 176.870 0.123 0.000 1.105 272 L CA 0.641 55.590 54.840 0.182 0.000 0.775 272 L CB -0.382 41.739 42.059 0.103 0.000 0.913 272 L HN 0.425 nan 8.230 nan 0.000 0.440 273 V N -0.657 119.260 119.914 0.005 0.000 2.626 273 V HA -0.269 3.851 4.120 0.000 0.000 0.252 273 V C 2.512 178.569 176.094 -0.061 0.000 1.067 273 V CA 2.323 64.628 62.300 0.008 0.000 1.081 273 V CB -0.005 31.837 31.823 0.032 0.000 0.686 273 V HN 0.470 nan 8.190 nan 0.000 0.468 274 T N -1.160 113.288 114.554 -0.177 0.000 2.951 274 T HA -0.124 4.226 4.350 0.000 0.000 0.268 274 T C 1.471 175.964 174.700 -0.344 0.000 1.073 274 T CA 1.716 63.630 62.100 -0.309 0.000 1.134 274 T CB -0.228 68.397 68.868 -0.406 0.000 0.884 274 T HN 0.708 nan 8.240 nan 0.000 0.479 275 Y N 0.970 121.263 120.300 -0.011 0.000 2.420 275 Y HA 0.139 4.689 4.550 0.000 0.000 0.292 275 Y C 2.331 178.201 175.900 -0.050 0.000 1.119 275 Y CA 0.268 58.355 58.100 -0.022 0.000 1.229 275 Y CB -0.241 38.215 38.460 -0.006 0.000 1.026 275 Y HN 0.184 nan 8.280 nan 0.000 0.554 276 D N 0.091 120.535 120.400 0.073 0.000 2.117 276 D HA -0.123 4.517 4.640 0.000 0.000 0.198 276 D C 2.247 178.483 176.300 -0.107 0.000 0.982 276 D CA 1.418 55.419 54.000 0.002 0.000 0.828 276 D CB -0.380 40.439 40.800 0.032 0.000 0.967 276 D HN 0.310 nan 8.370 nan 0.000 0.464 277 A N 0.348 123.060 122.820 -0.180 0.000 1.929 277 A HA -0.029 4.291 4.320 0.000 0.000 0.216 277 A C 2.205 179.687 177.584 -0.170 0.000 1.176 277 A CA 0.640 52.493 52.037 -0.307 0.000 0.628 277 A CB -0.593 18.151 19.000 -0.427 0.000 0.816 277 A HN 0.206 nan 8.150 nan 0.000 0.444 278 L N -0.860 120.300 121.223 -0.105 0.000 2.478 278 L HA -0.036 4.304 4.340 0.000 0.000 0.223 278 L C 2.780 179.612 176.870 -0.065 0.000 1.140 278 L CA 0.491 55.299 54.840 -0.054 0.000 0.842 278 L CB -0.327 41.720 42.059 -0.020 0.000 0.953 278 L HN 0.450 nan 8.230 nan 0.000 0.452 279 A N 0.404 123.171 122.820 -0.087 0.000 1.874 279 A HA -0.138 4.182 4.320 0.000 0.000 0.214 279 A C 2.270 179.748 177.584 -0.178 0.000 1.189 279 A CA 1.251 53.230 52.037 -0.097 0.000 0.615 279 A CB -0.076 18.883 19.000 -0.068 0.000 0.830 279 A HN 0.200 nan 8.150 nan 0.000 0.443 280 K N -0.455 119.754 120.400 -0.319 0.000 1.995 280 K HA 0.012 4.332 4.320 0.000 0.000 0.207 280 K C 0.910 177.191 176.600 -0.530 0.000 1.041 280 K CA 1.422 57.385 56.287 -0.540 0.000 0.942 280 K CB -0.119 31.767 32.500 -1.024 0.000 0.731 280 K HN 0.594 nan 8.250 nan 0.000 0.439 281 H N -0.701 118.256 119.070 -0.188 0.000 2.503 281 H HA 0.291 4.848 4.556 0.000 0.000 0.296 281 H C 1.201 176.405 175.328 -0.207 0.000 1.097 281 H CA 0.171 56.028 56.048 -0.319 0.000 1.055 281 H CB 0.248 29.727 29.762 -0.471 0.000 1.580 281 H HN 0.319 nan 8.280 nan 0.000 0.546 282 G N 1.142 109.904 108.800 -0.063 0.000 2.505 282 G HA2 -0.201 3.760 3.960 0.000 0.000 0.214 282 G HA3 -0.201 3.760 3.960 0.000 0.000 0.214 282 G C 1.744 176.642 174.900 -0.003 0.000 1.237 282 G CA 0.985 46.078 45.100 -0.012 0.000 0.802 282 G HN 0.452 nan 8.290 nan 0.000 0.549 283 A N 0.284 123.085 122.820 -0.032 0.000 2.066 283 A HA 0.082 4.402 4.320 0.000 0.000 0.218 283 A C 2.107 179.673 177.584 -0.030 0.000 1.157 283 A CA 1.903 53.926 52.037 -0.022 0.000 0.670 283 A CB -0.375 18.608 19.000 -0.029 0.000 0.804 283 A HN 0.552 nan 8.150 nan 0.000 0.453 284 E N -0.946 119.198 120.200 -0.094 0.000 2.051 284 E HA -0.173 4.177 4.350 0.000 0.000 0.192 284 E C 0.401 176.958 176.600 -0.072 0.000 0.991 284 E CA 1.148 57.448 56.400 -0.167 0.000 0.799 284 E CB -0.172 29.309 29.700 -0.366 0.000 0.748 284 E HN 0.507 nan 8.360 nan 0.000 0.449 285 F N -0.268 119.700 119.950 0.030 0.000 2.701 285 F HA 0.342 4.869 4.527 0.000 0.000 0.295 285 F C 1.328 177.125 175.800 -0.005 0.000 1.165 285 F CA 0.461 58.468 58.000 0.012 0.000 1.399 285 F CB 0.635 39.642 39.000 0.011 0.000 0.996 285 F HN 0.255 nan 8.300 nan 0.000 0.513 286 G N 0.118 109.008 108.800 0.150 0.000 2.176 286 G HA2 -0.312 3.648 3.960 0.000 0.000 0.232 286 G HA3 -0.312 3.648 3.960 0.000 0.000 0.232 286 G C 0.448 175.369 174.900 0.035 0.000 0.986 286 G CA -0.098 45.047 45.100 0.075 0.000 0.643 286 G HN 0.312 nan 8.290 nan 0.000 0.522 287 M N 2.817 122.440 119.600 0.039 0.000 2.200 287 M HA 0.418 4.898 4.480 0.000 0.000 0.355 287 M C -1.627 174.675 176.300 0.004 0.000 1.283 287 M CA -1.736 53.570 55.300 0.010 0.000 1.124 287 M CB 0.664 33.273 32.600 0.016 0.000 1.625 287 M HN 0.002 nan 8.290 nan 0.000 0.463 288 P HA 0.030 nan 4.420 nan 0.000 0.265 288 P C -2.516 174.786 177.300 0.003 0.000 1.187 288 P CA -0.786 62.314 63.100 -0.001 0.000 0.766 288 P CB -0.251 31.448 31.700 -0.001 0.000 0.820 289 P HA -0.140 nan 4.420 nan 0.000 0.219 289 P C 1.309 178.609 177.300 0.001 0.000 1.150 289 P CA 1.354 64.453 63.100 -0.002 0.000 0.814 289 P CB -0.081 31.617 31.700 -0.004 0.000 0.787 290 E N -0.521 119.682 120.200 0.006 0.000 2.482 290 E HA -0.005 4.345 4.350 0.000 0.000 0.196 290 E C 1.270 177.880 176.600 0.016 0.000 1.047 290 E CA 0.847 57.252 56.400 0.008 0.000 0.869 290 E CB -0.667 29.039 29.700 0.011 0.000 0.836 290 E HN 0.114 nan 8.360 nan 0.000 0.520 291 S N 0.470 116.183 115.700 0.023 0.000 2.388 291 S HA -0.008 4.462 4.470 0.000 0.000 0.223 291 S C 2.009 176.624 174.600 0.026 0.000 1.034 291 S CA 0.837 59.059 58.200 0.037 0.000 0.963 291 S CB 0.057 63.282 63.200 0.043 0.000 0.827 291 S HN 0.200 nan 8.310 nan 0.000 0.481 292 V N 2.300 122.221 119.914 0.013 0.000 2.913 292 V HA -0.070 4.050 4.120 0.000 0.000 0.260 292 V C 2.450 178.539 176.094 -0.008 0.000 1.098 292 V CA 1.274 63.575 62.300 0.002 0.000 1.121 292 V CB -1.336 30.482 31.823 -0.008 0.000 0.714 292 V HN 0.477 nan 8.190 nan 0.000 0.487 293 A N 0.309 123.124 122.820 -0.009 0.000 1.877 293 A HA -0.197 4.124 4.320 0.000 0.000 0.216 293 A C 2.326 179.893 177.584 -0.028 0.000 1.186 293 A CA 1.762 53.788 52.037 -0.018 0.000 0.620 293 A CB -0.389 18.602 19.000 -0.015 0.000 0.822 293 A HN 0.489 nan 8.150 nan 0.000 0.443 294 K N -0.613 119.773 120.400 -0.022 0.000 2.288 294 K HA 0.028 4.348 4.320 0.000 0.000 0.201 294 K C 1.631 178.191 176.600 -0.066 0.000 1.048 294 K CA 0.838 57.097 56.287 -0.046 0.000 0.956 294 K CB -0.149 32.334 32.500 -0.028 0.000 0.746 294 K HN 0.281 nan 8.250 nan 0.000 0.461 295 V N 0.915 120.818 119.914 -0.019 0.000 2.809 295 V HA -0.144 3.977 4.120 0.000 0.000 0.256 295 V C 1.986 178.057 176.094 -0.037 0.000 1.080 295 V CA 1.565 63.874 62.300 0.016 0.000 1.102 295 V CB -0.134 31.738 31.823 0.082 0.000 0.705 295 V HN 0.306 nan 8.190 nan 0.000 0.475 296 A N 0.190 122.977 122.820 -0.055 0.000 1.930 296 A HA -0.140 4.180 4.320 0.000 0.000 0.217 296 A C 2.413 179.937 177.584 -0.101 0.000 1.175 296 A CA 1.977 53.975 52.037 -0.065 0.000 0.627 296 A CB -0.586 18.382 19.000 -0.054 0.000 0.815 296 A HN 0.744 nan 8.150 nan 0.000 0.443 297 S N -0.414 115.208 115.700 -0.130 0.000 2.527 297 S HA 0.042 4.512 4.470 0.000 0.000 0.222 297 S C 1.380 175.850 174.600 -0.217 0.000 0.985 297 S CA 0.905 59.014 58.200 -0.152 0.000 0.921 297 S CB -0.346 62.768 63.200 -0.143 0.000 0.772 297 S HN 0.816 nan 8.310 nan 0.000 0.529 298 V N -0.284 119.449 119.914 -0.302 0.000 3.379 298 V HA 0.132 4.252 4.120 0.000 0.000 0.249 298 V C 2.309 178.168 176.094 -0.390 0.000 1.184 298 V CA 0.542 62.589 62.300 -0.421 0.000 1.106 298 V CB -0.912 30.480 31.823 -0.719 0.000 0.826 298 V HN 0.516 nan 8.190 nan 0.000 0.465 299 Q N 0.759 120.373 119.800 -0.310 0.000 2.369 299 Q HA -0.077 4.263 4.340 0.000 0.000 0.206 299 Q C 1.956 177.890 176.000 -0.111 0.000 0.963 299 Q CA 1.417 57.106 55.803 -0.191 0.000 0.894 299 Q CB -0.519 28.188 28.738 -0.053 0.000 0.965 299 Q HN 0.609 nan 8.270 nan 0.000 0.475 300 Q N 1.202 120.933 119.800 -0.115 0.000 1.993 300 Q HA -0.116 4.224 4.340 0.000 0.000 0.202 300 Q C 1.581 177.535 176.000 -0.077 0.000 0.984 300 Q CA 1.662 57.416 55.803 -0.082 0.000 0.837 300 Q CB -0.257 28.431 28.738 -0.083 0.000 0.902 300 Q HN 0.369 nan 8.270 nan 0.000 0.423 301 K N 0.401 120.743 120.400 -0.097 0.000 2.487 301 K HA 0.045 4.366 4.320 0.000 0.000 0.192 301 K C 1.828 178.384 176.600 -0.073 0.000 1.027 301 K CA 0.507 56.743 56.287 -0.085 0.000 1.054 301 K CB -0.379 32.066 32.500 -0.093 0.000 0.824 301 K HN 0.342 nan 8.250 nan 0.000 0.510 302 G N 0.849 109.606 108.800 -0.072 0.000 2.491 302 G HA2 -0.306 3.654 3.960 0.000 0.000 0.218 302 G HA3 -0.306 3.654 3.960 0.000 0.000 0.218 302 G C 1.475 176.377 174.900 0.004 0.000 1.180 302 G CA 0.742 45.823 45.100 -0.031 0.000 0.774 302 G HN 0.271 nan 8.290 nan 0.000 0.562 303 R N -0.150 120.350 120.500 -0.001 0.000 2.153 303 R HA 0.104 4.444 4.340 0.000 0.000 0.218 303 R C 2.433 178.727 176.300 -0.011 0.000 1.072 303 R CA 0.885 56.991 56.100 0.010 0.000 0.990 303 R CB -0.121 30.186 30.300 0.013 0.000 0.889 303 R HN 0.482 nan 8.270 nan 0.000 0.452 304 E N 0.370 120.548 120.200 -0.035 0.000 2.150 304 E HA -0.155 4.195 4.350 0.000 0.000 0.193 304 E C 1.834 178.373 176.600 -0.102 0.000 0.985 304 E CA 1.386 57.751 56.400 -0.058 0.000 0.814 304 E CB 0.163 29.826 29.700 -0.063 0.000 0.752 304 E HN 0.281 nan 8.360 nan 0.000 0.466 305 S N 0.143 115.768 115.700 -0.124 0.000 2.383 305 S HA -0.157 4.313 4.470 0.000 0.000 0.227 305 S C 1.963 176.384 174.600 -0.299 0.000 1.026 305 S CA 0.673 58.710 58.200 -0.272 0.000 0.981 305 S CB -0.330 62.756 63.200 -0.190 0.000 0.818 305 S HN 0.186 nan 8.310 nan 0.000 0.472 306 L N 2.009 123.215 121.223 -0.027 0.000 2.127 306 L HA -0.020 4.320 4.340 0.000 0.000 0.211 306 L C 2.707 179.610 176.870 0.056 0.000 1.089 306 L CA 1.779 56.686 54.840 0.111 0.000 0.757 306 L CB -0.818 41.300 42.059 0.099 0.000 0.899 306 L HN 0.435 nan 8.230 nan 0.000 0.434 307 E N -0.690 119.500 120.200 -0.017 0.000 2.072 307 E HA -0.185 4.165 4.350 0.000 0.000 0.191 307 E C 2.267 178.839 176.600 -0.046 0.000 0.985 307 E CA 1.293 57.681 56.400 -0.019 0.000 0.801 307 E CB -0.148 29.534 29.700 -0.030 0.000 0.750 307 E HN 0.484 nan 8.360 nan 0.000 0.452 308 I N 0.396 120.886 120.570 -0.134 0.000 2.226 308 I HA -0.280 3.890 4.170 0.000 0.000 0.245 308 I C 2.072 178.130 176.117 -0.098 0.000 1.100 308 I CA 1.102 62.301 61.300 -0.169 0.000 1.374 308 I CB -0.425 37.401 38.000 -0.289 0.000 1.057 308 I HN 0.085 nan 8.210 nan 0.000 0.413 309 Y N 1.186 121.486 120.300 -0.000 0.000 2.181 309 Y HA -0.174 4.376 4.550 0.000 0.000 0.288 309 Y C 2.710 178.613 175.900 0.006 0.000 1.146 309 Y CA 0.828 58.932 58.100 0.007 0.000 1.164 309 Y CB -1.127 37.342 38.460 0.015 0.000 0.982 309 Y HN 0.119 nan 8.280 nan 0.000 0.515 310 A N 0.238 123.150 122.820 0.154 0.000 1.898 310 A HA -0.179 4.141 4.320 0.000 0.000 0.216 310 A C 2.117 179.725 177.584 0.040 0.000 1.181 310 A CA 1.737 53.826 52.037 0.087 0.000 0.620 310 A CB -0.669 18.370 19.000 0.066 0.000 0.819 310 A HN 0.396 nan 8.150 nan 0.000 0.442 311 N N 0.596 119.305 118.700 0.015 0.000 2.084 311 N HA -0.085 4.655 4.740 0.000 0.000 0.190 311 N C 1.704 177.184 175.510 -0.050 0.000 1.030 311 N CA 1.768 54.806 53.050 -0.020 0.000 0.849 311 N CB -0.534 37.934 38.487 -0.033 0.000 1.012 311 N HN 0.447 nan 8.380 nan 0.000 0.423 312 A N -0.434 122.363 122.820 -0.038 0.000 2.169 312 A HA 0.362 4.682 4.320 0.000 0.000 0.212 312 A C 1.325 178.819 177.584 -0.148 0.000 1.153 312 A CA 0.914 52.891 52.037 -0.100 0.000 0.756 312 A CB -0.454 18.536 19.000 -0.017 0.000 0.813 312 A HN 0.360 nan 8.150 nan 0.000 0.471 313 G N -0.800 107.994 108.800 -0.009 0.000 2.212 313 G HA2 -0.154 3.807 3.960 0.000 0.000 0.255 313 G HA3 -0.154 3.807 3.960 0.000 0.000 0.255 313 G C -0.033 174.965 174.900 0.163 0.000 1.062 313 G CA 0.037 45.173 45.100 0.060 0.000 0.815 313 G HN 0.904 nan 8.290 nan 0.000 0.497 314 V N 0.028 120.025 119.914 0.138 0.000 2.455 314 V HA 0.328 4.448 4.120 0.000 0.000 0.273 314 V C 1.008 177.103 176.094 0.003 0.000 1.045 314 V CA -0.577 61.764 62.300 0.068 0.000 0.976 314 V CB 1.078 32.953 31.823 0.088 0.000 0.993 314 V HN 0.392 nan 8.190 nan 0.000 0.475 315 K N 5.045 125.408 120.400 -0.062 0.000 2.451 315 K HA 0.280 4.600 4.320 0.000 0.000 0.280 315 K C -0.251 176.391 176.600 0.070 0.000 1.020 315 K CA 0.659 56.956 56.287 0.018 0.000 1.008 315 K CB 0.276 32.791 32.500 0.024 0.000 0.917 315 K HN 0.611 nan 8.250 nan 0.000 0.478 316 M N 1.952 121.596 119.600 0.074 0.000 2.294 316 M HA 0.343 4.823 4.480 0.000 0.000 0.335 316 M C 0.202 176.539 176.300 0.062 0.000 1.079 316 M CA -0.573 54.742 55.300 0.026 0.000 0.982 316 M CB 2.154 34.764 32.600 0.016 0.000 1.651 316 M HN 0.751 nan 8.290 nan 0.000 0.437 317 G N 1.686 110.505 108.800 0.031 0.000 2.454 317 G HA2 0.591 4.552 3.960 0.000 0.000 0.329 317 G HA3 0.591 4.552 3.960 0.000 0.000 0.329 317 G C -1.643 173.285 174.900 0.047 0.000 1.177 317 G CA -0.510 44.616 45.100 0.044 0.000 0.951 317 G HN 0.616 nan 8.290 nan 0.000 0.485 318 F N 1.529 121.446 119.950 -0.055 0.000 2.472 318 F HA 0.540 5.067 4.527 0.000 0.000 0.364 318 F C 0.647 176.412 175.800 -0.060 0.000 1.090 318 F CA 0.068 58.012 58.000 -0.094 0.000 1.188 318 F CB 0.781 39.703 39.000 -0.131 0.000 1.105 318 F HN 0.481 nan 8.300 nan 0.000 0.536 319 G N 3.340 111.836 108.800 -0.507 0.000 2.687 319 G HA2 0.402 4.362 3.960 0.000 0.000 0.301 319 G HA3 0.402 4.362 3.960 0.000 0.000 0.301 319 G C -0.306 174.307 174.900 -0.478 0.000 1.416 319 G CA -0.096 44.809 45.100 -0.325 0.000 1.005 319 G HN 0.753 nan 8.290 nan 0.000 0.509 320 S N 1.109 116.645 115.700 -0.274 0.000 2.438 320 S HA 0.131 4.601 4.470 0.000 0.000 0.220 320 S C 0.993 175.517 174.600 -0.127 0.000 1.045 320 S CA 1.247 59.325 58.200 -0.204 0.000 0.940 320 S CB -0.002 63.148 63.200 -0.083 0.000 0.863 320 S HN 0.815 nan 8.310 nan 0.000 0.539 321 D N 0.267 120.653 120.400 -0.024 0.000 2.981 321 D HA -0.117 4.524 4.640 0.000 0.000 0.223 321 D C -0.855 175.435 176.300 -0.017 0.000 1.151 321 D CA 0.402 54.446 54.000 0.074 0.000 0.827 321 D CB -2.095 38.687 40.800 -0.031 0.000 1.101 321 D HN 0.549 nan 8.370 nan 0.000 0.426 322 L N 0.220 121.365 121.223 -0.129 0.000 2.371 322 L HA 0.434 4.774 4.340 0.000 0.000 0.272 322 L C 0.713 177.265 176.870 -0.531 0.000 1.124 322 L CA -0.459 54.212 54.840 -0.281 0.000 0.816 322 L CB 0.881 42.798 42.059 -0.237 0.000 1.129 322 L HN 0.018 nan 8.230 nan 0.000 0.448 323 L N 2.528 123.551 121.223 -0.333 0.000 2.329 323 L HA 0.746 5.086 4.340 0.000 0.000 0.279 323 L C 0.871 177.641 176.870 -0.166 0.000 1.014 323 L CA -0.429 54.267 54.840 -0.240 0.000 0.814 323 L CB 1.351 43.344 42.059 -0.110 0.000 1.257 323 L HN 0.866 nan 8.230 nan 0.000 0.424 324 G N 2.126 110.920 108.800 -0.010 0.000 2.527 324 G HA2 -0.279 3.681 3.960 0.000 0.000 0.268 324 G HA3 -0.279 3.681 3.960 0.000 0.000 0.268 324 G C 0.697 175.600 174.900 0.004 0.000 1.175 324 G CA 0.326 45.428 45.100 0.003 0.000 0.962 324 G HN 0.804 nan 8.290 nan 0.000 0.560 325 E N 0.622 120.683 120.200 -0.231 0.000 2.347 325 E HA 0.005 4.356 4.350 0.000 0.000 0.196 325 E C 2.543 179.085 176.600 -0.096 0.000 1.008 325 E CA 1.337 57.573 56.400 -0.273 0.000 0.852 325 E CB -0.189 29.119 29.700 -0.653 0.000 0.783 325 E HN 0.666 nan 8.360 nan 0.000 0.505 326 M N 0.542 120.105 119.600 -0.061 0.000 2.700 326 M HA -0.026 4.454 4.480 0.000 0.000 0.249 326 M C 1.313 177.728 176.300 0.192 0.000 1.082 326 M CA 0.732 56.108 55.300 0.128 0.000 1.077 326 M CB -0.454 32.151 32.600 0.009 0.000 1.477 326 M HN 0.150 nan 8.290 nan 0.000 0.529 327 H N -0.138 119.000 119.070 0.114 0.000 2.518 327 H HA -0.057 4.499 4.556 0.000 0.000 0.289 327 H C 2.096 177.518 175.328 0.157 0.000 1.051 327 H CA 1.161 57.276 56.048 0.112 0.000 1.280 327 H CB 0.201 29.996 29.762 0.054 0.000 1.380 327 H HN 0.461 nan 8.280 nan 0.000 0.566 328 A N 0.093 123.094 122.820 0.301 0.000 1.972 328 A HA -0.147 4.174 4.320 0.000 0.000 0.219 328 A C 1.422 179.106 177.584 0.166 0.000 1.169 328 A CA 0.999 53.148 52.037 0.186 0.000 0.635 328 A CB -0.591 18.460 19.000 0.086 0.000 0.810 328 A HN 0.356 nan 8.150 nan 0.000 0.446 329 F N 0.243 120.269 119.950 0.126 0.000 2.816 329 F HA 0.005 4.532 4.527 0.000 0.000 0.302 329 F C 2.208 178.105 175.800 0.161 0.000 1.178 329 F CA 0.686 58.768 58.000 0.136 0.000 1.421 329 F CB -0.277 38.796 39.000 0.122 0.000 1.114 329 F HN 0.362 nan 8.300 nan 0.000 0.573 330 Q N -0.075 119.920 119.800 0.325 0.000 2.152 330 Q HA -0.198 4.142 4.340 0.000 0.000 0.206 330 Q C 2.064 178.331 176.000 0.445 0.000 0.985 330 Q CA 1.927 57.909 55.803 0.298 0.000 0.863 330 Q CB -0.071 28.808 28.738 0.237 0.000 0.904 330 Q HN 0.303 nan 8.270 nan 0.000 0.422 331 S N -0.641 115.350 115.700 0.484 0.000 2.489 331 S HA -0.021 4.449 4.470 0.000 0.000 0.228 331 S C 1.590 176.519 174.600 0.548 0.000 0.995 331 S CA 0.653 59.213 58.200 0.601 0.000 0.934 331 S CB -0.004 63.422 63.200 0.378 0.000 0.771 331 S HN 0.602 nan 8.310 nan 0.000 0.522 332 G N 1.217 110.249 108.800 0.386 0.000 2.559 332 G HA2 -0.168 3.792 3.960 0.000 0.000 0.216 332 G HA3 -0.168 3.792 3.960 0.000 0.000 0.216 332 G C 1.155 176.228 174.900 0.289 0.000 1.126 332 G CA 0.663 45.949 45.100 0.310 0.000 0.778 332 G HN 0.528 nan 8.290 nan 0.000 0.543 333 E N 0.052 120.420 120.200 0.280 0.000 2.204 333 E HA -0.068 4.283 4.350 0.000 0.000 0.194 333 E C 1.799 178.512 176.600 0.189 0.000 0.989 333 E CA 0.551 56.995 56.400 0.074 0.000 0.824 333 E CB -0.350 29.135 29.700 -0.359 0.000 0.756 333 E HN 0.425 nan 8.360 nan 0.000 0.477 334 F N 0.877 121.067 119.950 0.400 0.000 2.069 334 F HA -0.166 4.361 4.527 0.000 0.000 0.298 334 F C 2.599 178.483 175.800 0.139 0.000 1.113 334 F CA 1.991 60.151 58.000 0.267 0.000 1.214 334 F CB -0.547 38.505 39.000 0.087 0.000 0.978 334 F HN 0.053 nan 8.300 nan 0.000 0.474 335 R N 0.871 121.567 120.500 0.327 0.000 2.091 335 R HA -0.186 4.155 4.340 0.000 0.000 0.238 335 R C 2.105 178.496 176.300 0.152 0.000 1.136 335 R CA 2.095 58.313 56.100 0.196 0.000 0.959 335 R CB -0.680 29.716 30.300 0.161 0.000 0.856 335 R HN 0.335 nan 8.270 nan 0.000 0.437 336 I N 0.345 121.001 120.570 0.144 0.000 2.226 336 I HA -0.231 3.939 4.170 0.000 0.000 0.245 336 I C 2.613 178.783 176.117 0.089 0.000 1.100 336 I CA 1.422 62.783 61.300 0.102 0.000 1.374 336 I CB -0.301 37.749 38.000 0.084 0.000 1.057 336 I HN 0.191 nan 8.210 nan 0.000 0.413 337 R N 0.773 121.331 120.500 0.095 0.000 2.092 337 R HA -0.054 4.286 4.340 0.000 0.000 0.231 337 R C 2.476 178.836 176.300 0.100 0.000 1.119 337 R CA 1.312 57.464 56.100 0.086 0.000 0.970 337 R CB -0.413 29.935 30.300 0.080 0.000 0.864 337 R HN 0.361 nan 8.270 nan 0.000 0.440 338 A N 1.300 124.194 122.820 0.125 0.000 1.972 338 A HA -0.173 4.147 4.320 0.000 0.000 0.219 338 A C 1.759 179.392 177.584 0.082 0.000 1.169 338 A CA 1.241 53.343 52.037 0.109 0.000 0.635 338 A CB -0.266 18.808 19.000 0.123 0.000 0.810 338 A HN 0.299 nan 8.150 nan 0.000 0.446 339 E N -0.649 119.598 120.200 0.079 0.000 2.338 339 E HA -0.058 4.293 4.350 0.000 0.000 0.197 339 E C 1.336 177.967 176.600 0.051 0.000 1.007 339 E CA 1.058 57.495 56.400 0.062 0.000 0.849 339 E CB 0.034 29.771 29.700 0.062 0.000 0.774 339 E HN 0.514 nan 8.360 nan 0.000 0.506 340 V N -0.571 119.376 119.914 0.055 0.000 3.455 340 V HA 0.034 4.154 4.120 0.000 0.000 0.250 340 V C 1.409 177.532 176.094 0.048 0.000 1.230 340 V CA 0.469 62.797 62.300 0.046 0.000 1.105 340 V CB 0.360 32.210 31.823 0.045 0.000 0.850 340 V HN 0.153 nan 8.190 nan 0.000 0.461 341 L N 0.312 121.570 121.223 0.058 0.000 2.966 341 L HA 0.689 5.029 4.340 0.000 0.000 0.262 341 L C 0.935 177.841 176.870 0.060 0.000 1.165 341 L CA 0.476 55.352 54.840 0.060 0.000 0.978 341 L CB 0.552 42.654 42.059 0.070 0.000 1.337 341 L HN 0.406 nan 8.230 nan 0.000 0.563 342 G N 1.791 110.628 108.800 0.061 0.000 2.767 342 G HA2 -0.249 3.711 3.960 0.000 0.000 0.686 342 G HA3 -0.249 3.711 3.960 0.000 0.000 0.686 342 G C 0.340 175.285 174.900 0.074 0.000 1.213 342 G CA 0.014 45.149 45.100 0.059 0.000 0.803 342 G HN 0.502 nan 8.290 nan 0.000 0.603 343 N N 1.223 119.966 118.700 0.073 0.000 2.512 343 N HA -0.063 4.677 4.740 0.000 0.000 0.183 343 N C 2.104 177.667 175.510 0.088 0.000 1.073 343 N CA 0.616 53.720 53.050 0.091 0.000 0.911 343 N CB 0.409 38.941 38.487 0.075 0.000 0.964 343 N HN 0.527 nan 8.380 nan 0.000 0.447 344 L N 1.149 122.413 121.223 0.069 0.000 2.027 344 L HA -0.149 4.191 4.340 0.000 0.000 0.206 344 L C 2.508 179.426 176.870 0.080 0.000 1.074 344 L CA 1.811 56.690 54.840 0.065 0.000 0.745 344 L CB -0.262 41.826 42.059 0.049 0.000 0.898 344 L HN 0.137 nan 8.230 nan 0.000 0.433 345 E N 0.162 120.411 120.200 0.081 0.000 2.106 345 E HA -0.154 4.196 4.350 0.000 0.000 0.192 345 E C 1.967 178.634 176.600 0.111 0.000 0.984 345 E CA 1.487 57.940 56.400 0.088 0.000 0.806 345 E CB -0.083 29.664 29.700 0.078 0.000 0.750 345 E HN 0.478 nan 8.360 nan 0.000 0.458 346 A N 0.114 123.014 122.820 0.133 0.000 1.969 346 A HA -0.050 4.270 4.320 0.000 0.000 0.218 346 A C 2.171 179.898 177.584 0.239 0.000 1.169 346 A CA 0.974 53.119 52.037 0.181 0.000 0.635 346 A CB -0.467 18.666 19.000 0.222 0.000 0.810 346 A HN 0.323 nan 8.150 nan 0.000 0.445 347 L N -1.414 119.943 121.223 0.223 0.000 2.240 347 L HA -0.029 4.311 4.340 0.000 0.000 0.211 347 L C 2.675 179.650 176.870 0.174 0.000 1.106 347 L CA 0.586 55.568 54.840 0.237 0.000 0.793 347 L CB -0.373 41.776 42.059 0.149 0.000 0.927 347 L HN 0.326 nan 8.230 nan 0.000 0.446 348 R N -0.339 120.240 120.500 0.132 0.000 2.189 348 R HA -0.074 4.267 4.340 0.000 0.000 0.223 348 R C 2.404 178.771 176.300 0.111 0.000 1.092 348 R CA 1.166 57.332 56.100 0.109 0.000 0.989 348 R CB -0.127 30.228 30.300 0.091 0.000 0.876 348 R HN 0.326 nan 8.270 nan 0.000 0.457 349 S N 0.652 116.424 115.700 0.120 0.000 2.383 349 S HA -0.139 4.331 4.470 0.000 0.000 0.229 349 S C 1.806 176.494 174.600 0.146 0.000 1.030 349 S CA 1.467 59.747 58.200 0.133 0.000 1.002 349 S CB 0.050 63.352 63.200 0.169 0.000 0.829 349 S HN 0.449 nan 8.310 nan 0.000 0.467 350 A N 0.662 123.536 122.820 0.091 0.000 2.390 350 A HA 0.294 4.615 4.320 0.000 0.000 0.232 350 A C 1.844 179.529 177.584 0.168 0.000 1.233 350 A CA 0.755 52.836 52.037 0.074 0.000 0.907 350 A CB -0.134 18.716 19.000 -0.250 0.000 0.967 350 A HN 0.554 nan 8.150 nan 0.000 0.512 351 T N -3.616 111.027 114.554 0.148 0.000 3.397 351 T HA 0.013 4.363 4.350 0.000 0.000 0.233 351 T C 1.979 176.729 174.700 0.084 0.000 0.969 351 T CA 1.371 63.550 62.100 0.131 0.000 1.316 351 T CB -0.965 67.984 68.868 0.136 0.000 1.175 351 T HN 0.286 nan 8.240 nan 0.000 0.381 352 T N 1.104 115.702 114.554 0.075 0.000 2.809 352 T HA 0.042 4.392 4.350 0.000 0.000 0.260 352 T C 2.106 176.833 174.700 0.045 0.000 1.039 352 T CA 1.163 63.295 62.100 0.054 0.000 1.141 352 T CB -1.090 67.811 68.868 0.054 0.000 0.869 352 T HN 0.165 nan 8.240 nan 0.000 0.437 353 V N 2.243 122.194 119.914 0.062 0.000 2.548 353 V HA 0.054 4.174 4.120 0.000 0.000 0.249 353 V C 3.246 179.326 176.094 -0.023 0.000 1.055 353 V CA 1.302 63.641 62.300 0.066 0.000 1.065 353 V CB -1.413 30.477 31.823 0.112 0.000 0.681 353 V HN 0.672 nan 8.190 nan 0.000 0.462 354 A N 0.357 123.177 122.820 0.000 0.000 1.902 354 A HA -0.058 4.262 4.320 0.000 0.000 0.217 354 A C 2.365 179.890 177.584 -0.098 0.000 1.181 354 A CA 1.897 53.914 52.037 -0.032 0.000 0.623 354 A CB -0.677 18.365 19.000 0.070 0.000 0.818 354 A HN 0.561 nan 8.150 nan 0.000 0.443 355 A N -0.751 122.038 122.820 -0.052 0.000 2.119 355 A HA -0.054 4.266 4.320 0.000 0.000 0.217 355 A C 1.921 179.426 177.584 -0.132 0.000 1.153 355 A CA 1.478 53.474 52.037 -0.069 0.000 0.692 355 A CB -0.368 18.629 19.000 -0.005 0.000 0.799 355 A HN 0.678 nan 8.150 nan 0.000 0.458 356 E N -0.027 120.084 120.200 -0.149 0.000 2.076 356 E HA -0.096 4.254 4.350 0.000 0.000 0.190 356 E C 1.780 178.125 176.600 -0.425 0.000 0.979 356 E CA 0.786 57.077 56.400 -0.181 0.000 0.807 356 E CB -0.157 29.512 29.700 -0.051 0.000 0.761 356 E HN 0.653 nan 8.360 nan 0.000 0.454 357 I N 1.133 121.321 120.570 -0.637 0.000 2.163 357 I HA -0.232 3.938 4.170 0.000 0.000 0.243 357 I C 2.263 177.985 176.117 -0.658 0.000 1.085 357 I CA 1.220 61.986 61.300 -0.890 0.000 1.347 357 I CB -0.179 37.388 38.000 -0.723 0.000 1.044 357 I HN 0.159 nan 8.210 nan 0.000 0.408 358 V N -1.607 118.019 119.914 -0.479 0.000 3.636 358 V HA 0.163 4.284 4.120 0.000 0.000 0.279 358 V C 0.326 176.181 176.094 -0.399 0.000 1.263 358 V CA 0.157 62.132 62.300 -0.541 0.000 1.182 358 V CB -1.745 29.491 31.823 -0.978 0.000 0.955 358 V HN 0.635 nan 8.190 nan 0.000 0.443 359 N N 0.897 119.416 118.700 -0.302 0.000 2.714 359 N HA -0.154 4.586 4.740 0.000 0.000 0.253 359 N C 0.244 175.699 175.510 -0.091 0.000 1.024 359 N CA 0.948 53.899 53.050 -0.165 0.000 0.726 359 N CB -0.560 37.867 38.487 -0.100 0.000 0.908 359 N HN 0.473 nan 8.380 nan 0.000 0.542 360 M N 0.078 119.624 119.600 -0.090 0.000 2.705 360 M HA 0.056 4.536 4.480 0.000 0.000 0.387 360 M C -0.005 176.287 176.300 -0.013 0.000 1.204 360 M CA -0.009 55.280 55.300 -0.018 0.000 0.905 360 M CB 0.271 32.885 32.600 0.023 0.000 1.394 360 M HN 0.198 nan 8.290 nan 0.000 0.515 361 Q N 0.749 120.532 119.800 -0.027 0.000 2.275 361 Q HA 0.273 4.613 4.340 0.000 0.000 0.293 361 Q C 0.873 176.876 176.000 0.004 0.000 1.129 361 Q CA 1.371 57.168 55.803 -0.011 0.000 0.971 361 Q CB -0.087 28.645 28.738 -0.009 0.000 1.098 361 Q HN 0.680 nan 8.270 nan 0.000 0.386 362 G N 2.781 111.587 108.800 0.010 0.000 2.258 362 G HA2 -0.368 3.592 3.960 0.000 0.000 0.233 362 G HA3 -0.368 3.592 3.960 0.000 0.000 0.233 362 G C 0.841 175.751 174.900 0.018 0.000 1.006 362 G CA 0.395 45.504 45.100 0.014 0.000 0.620 362 G HN 0.538 nan 8.290 nan 0.000 0.511 363 Q N -0.295 119.518 119.800 0.022 0.000 2.226 363 Q HA 0.584 4.924 4.340 0.000 0.000 0.199 363 Q C 1.274 177.296 176.000 0.037 0.000 0.945 363 Q CA 0.810 56.632 55.803 0.031 0.000 0.861 363 Q CB 0.148 28.911 28.738 0.041 0.000 0.953 363 Q HN 0.612 nan 8.270 nan 0.000 0.490 364 L N -2.187 119.062 121.223 0.043 0.000 2.286 364 L HA 0.546 4.886 4.340 0.000 0.000 0.265 364 L C 0.525 177.418 176.870 0.038 0.000 1.012 364 L CA -0.209 54.661 54.840 0.051 0.000 0.818 364 L CB 1.944 44.056 42.059 0.089 0.000 1.337 364 L HN 0.365 nan 8.230 nan 0.000 0.438 365 G N 0.705 109.529 108.800 0.040 0.000 2.168 365 G HA2 -0.207 3.754 3.960 0.000 0.000 0.257 365 G HA3 -0.207 3.754 3.960 0.000 0.000 0.257 365 G C -0.507 174.412 174.900 0.032 0.000 0.997 365 G CA 0.393 45.519 45.100 0.043 0.000 0.708 365 G HN 0.470 nan 8.290 nan 0.000 0.520 366 V N 0.211 120.136 119.914 0.018 0.000 3.012 366 V HA 0.621 4.741 4.120 0.000 0.000 0.307 366 V C -0.431 175.663 176.094 0.001 0.000 1.166 366 V CA -1.085 61.221 62.300 0.011 0.000 0.974 366 V CB 1.940 33.770 31.823 0.013 0.000 1.040 366 V HN 0.323 nan 8.190 nan 0.000 0.428 367 I N 5.620 126.186 120.570 -0.007 0.000 2.316 367 I HA 0.713 4.883 4.170 0.000 0.000 0.286 367 I C 0.272 176.384 176.117 -0.009 0.000 1.107 367 I CA 0.016 61.309 61.300 -0.012 0.000 1.219 367 I CB 0.627 38.614 38.000 -0.022 0.000 1.455 367 I HN 0.661 nan 8.210 nan 0.000 0.498 368 A N 4.697 127.516 122.820 -0.001 0.000 2.527 368 A HA 0.745 5.065 4.320 0.000 0.000 0.293 368 A C -0.590 176.999 177.584 0.008 0.000 1.117 368 A CA -0.579 51.460 52.037 0.003 0.000 0.723 368 A CB 1.538 20.541 19.000 0.004 0.000 1.313 368 A HN 0.173 nan 8.150 nan 0.000 0.411 369 V N 1.287 121.207 119.914 0.011 0.000 2.529 369 V HA 0.453 4.574 4.120 0.000 0.000 0.292 369 V C 1.470 177.570 176.094 0.011 0.000 1.028 369 V CA 1.869 64.177 62.300 0.013 0.000 1.074 369 V CB 0.041 31.873 31.823 0.015 0.000 0.958 369 V HN 2.144 nan 8.190 nan 0.000 0.481 370 G N 3.708 112.514 108.800 0.010 0.000 2.307 370 G HA2 -0.086 3.874 3.960 0.000 0.000 0.210 370 G HA3 -0.086 3.874 3.960 0.000 0.000 0.210 370 G C 0.499 175.406 174.900 0.012 0.000 1.005 370 G CA 0.134 45.240 45.100 0.011 0.000 0.634 370 G HN 1.391 nan 8.290 nan 0.000 0.496 371 A N 0.664 123.491 122.820 0.011 0.000 2.406 371 A HA 0.659 4.979 4.320 0.000 0.000 0.243 371 A C 0.798 178.388 177.584 0.010 0.000 1.082 371 A CA 0.225 52.270 52.037 0.013 0.000 0.786 371 A CB 0.053 19.060 19.000 0.011 0.000 1.029 371 A HN 0.941 nan 8.150 nan 0.000 0.495 372 I N 0.452 121.031 120.570 0.014 0.000 2.754 372 I HA 0.221 4.391 4.170 0.000 0.000 0.285 372 I C 1.101 177.218 176.117 -0.000 0.000 1.166 372 I CA 0.215 61.521 61.300 0.009 0.000 1.417 372 I CB 0.798 38.807 38.000 0.016 0.000 1.382 372 I HN 0.631 nan 8.210 nan 0.000 0.588 373 A N 4.099 126.914 122.820 -0.007 0.000 3.056 373 A HA 0.225 4.546 4.320 0.000 0.000 0.274 373 A C -0.472 177.097 177.584 -0.025 0.000 1.661 373 A CA -0.323 51.704 52.037 -0.017 0.000 1.363 373 A CB -0.900 18.090 19.000 -0.018 0.000 1.139 373 A HN 0.631 nan 8.150 nan 0.000 0.598 374 D N 1.460 121.843 120.400 -0.027 0.000 2.499 374 D HA 0.511 5.151 4.640 0.000 0.000 0.225 374 D C -0.408 175.847 176.300 -0.074 0.000 1.124 374 D CA 0.426 54.400 54.000 -0.043 0.000 0.938 374 D CB 0.529 41.314 40.800 -0.025 0.000 1.014 374 D HN 0.412 nan 8.370 nan 0.000 0.517 375 L N 0.985 122.157 121.223 -0.085 0.000 2.341 375 L HA 0.671 5.011 4.340 0.000 0.000 0.267 375 L C -0.490 176.295 176.870 -0.142 0.000 1.009 375 L CA -1.146 53.631 54.840 -0.106 0.000 0.819 375 L CB 2.351 44.367 42.059 -0.070 0.000 1.323 375 L HN -0.105 nan 8.230 nan 0.000 0.425 376 V N 2.108 121.915 119.914 -0.178 0.000 2.588 376 V HA 0.435 4.556 4.120 0.000 0.000 0.304 376 V C -0.537 175.494 176.094 -0.104 0.000 1.042 376 V CA -0.640 61.539 62.300 -0.202 0.000 0.877 376 V CB 2.481 34.041 31.823 -0.438 0.000 0.996 376 V HN 0.377 nan 8.190 nan 0.000 0.425 377 V N 6.209 126.108 119.914 -0.025 0.000 2.398 377 V HA 0.509 4.629 4.120 0.000 0.000 0.286 377 V C -0.524 175.584 176.094 0.023 0.000 1.026 377 V CA -0.509 61.812 62.300 0.035 0.000 0.868 377 V CB 1.519 33.442 31.823 0.166 0.000 0.982 377 V HN 0.570 nan 8.190 nan 0.000 0.443 378 L N 3.991 125.216 121.223 0.003 0.000 2.362 378 L HA 0.554 4.894 4.340 0.000 0.000 0.275 378 L C -0.251 176.616 176.870 -0.006 0.000 0.998 378 L CA -0.166 54.667 54.840 -0.012 0.000 0.820 378 L CB 1.854 43.899 42.059 -0.023 0.000 1.270 378 L HN 0.586 nan 8.230 nan 0.000 0.415 379 D N 3.183 123.577 120.400 -0.011 0.000 2.619 379 D HA 0.565 5.205 4.640 0.000 0.000 0.224 379 D C 0.177 176.468 176.300 -0.016 0.000 1.133 379 D CA 1.010 55.005 54.000 -0.009 0.000 1.017 379 D CB -0.031 40.761 40.800 -0.012 0.000 1.077 379 D HN 0.779 nan 8.370 nan 0.000 0.503 380 G N 1.591 110.381 108.800 -0.018 0.000 2.361 380 G HA2 -0.028 3.932 3.960 0.000 0.000 0.331 380 G HA3 -0.028 3.932 3.960 0.000 0.000 0.331 380 G C -1.227 173.658 174.900 -0.024 0.000 1.324 380 G CA -1.200 43.888 45.100 -0.020 0.000 0.984 380 G HN 0.269 nan 8.290 nan 0.000 0.586 381 N N 1.162 119.848 118.700 -0.022 0.000 2.457 381 N HA 0.560 5.300 4.740 0.000 0.000 0.250 381 N C -0.725 174.771 175.510 -0.023 0.000 0.982 381 N CA -2.224 50.812 53.050 -0.022 0.000 0.941 381 N CB 2.202 40.678 38.487 -0.017 0.000 1.120 381 N HN 0.169 nan 8.380 nan 0.000 0.505 382 P HA -0.118 nan 4.420 nan 0.000 0.221 382 P C 1.329 178.619 177.300 -0.017 0.000 1.150 382 P CA 0.394 63.469 63.100 -0.041 0.000 0.800 382 P CB 0.540 32.204 31.700 -0.060 0.000 0.787 383 L N 0.362 121.582 121.223 -0.005 0.000 2.083 383 L HA -0.129 4.211 4.340 0.000 0.000 0.209 383 L C 2.504 179.379 176.870 0.008 0.000 1.083 383 L CA 1.843 56.688 54.840 0.007 0.000 0.752 383 L CB -1.656 40.407 42.059 0.006 0.000 0.899 383 L HN -0.012 nan 8.230 nan 0.000 0.433 384 E N -0.687 119.514 120.200 0.001 0.000 2.021 384 E HA -0.067 4.283 4.350 0.000 0.000 0.189 384 E C 0.318 176.921 176.600 0.005 0.000 0.980 384 E CA 0.701 57.103 56.400 0.004 0.000 0.803 384 E CB -0.036 29.664 29.700 -0.000 0.000 0.766 384 E HN 0.329 nan 8.360 nan 0.000 0.449 385 D N -0.433 119.966 120.400 -0.002 0.000 2.549 385 D HA 0.128 4.768 4.640 0.000 0.000 0.251 385 D C 0.339 176.631 176.300 -0.013 0.000 1.153 385 D CA -0.388 53.611 54.000 -0.002 0.000 0.861 385 D CB 1.104 41.901 40.800 -0.004 0.000 1.207 385 D HN -0.191 nan 8.370 nan 0.000 0.543 386 I N 3.446 124.016 120.570 -0.001 0.000 2.614 386 I HA 0.118 4.288 4.170 0.000 0.000 0.258 386 I C 2.020 178.115 176.117 -0.038 0.000 1.189 386 I CA 1.154 62.446 61.300 -0.013 0.000 1.462 386 I CB -0.334 37.695 38.000 0.049 0.000 1.092 386 I HN 0.627 nan 8.210 nan 0.000 0.442 387 G N -0.092 108.701 108.800 -0.012 0.000 2.498 387 G HA2 -0.182 3.778 3.960 0.000 0.000 0.219 387 G HA3 -0.182 3.778 3.960 0.000 0.000 0.219 387 G C 1.656 176.533 174.900 -0.038 0.000 1.119 387 G CA 1.043 46.137 45.100 -0.011 0.000 0.766 387 G HN 0.478 nan 8.290 nan 0.000 0.552 388 V N -1.987 117.893 119.914 -0.056 0.000 3.041 388 V HA 0.070 4.191 4.120 0.000 0.000 0.260 388 V C 2.171 178.204 176.094 -0.101 0.000 1.105 388 V CA 1.355 63.618 62.300 -0.062 0.000 1.125 388 V CB 0.029 31.822 31.823 -0.050 0.000 0.730 388 V HN 0.114 nan 8.190 nan 0.000 0.479 389 V N 0.350 120.154 119.914 -0.184 0.000 2.690 389 V HA 0.435 4.555 4.120 0.000 0.000 0.240 389 V C 2.200 178.134 176.094 -0.268 0.000 1.078 389 V CA 1.006 63.103 62.300 -0.339 0.000 1.102 389 V CB -0.002 31.356 31.823 -0.776 0.000 0.800 389 V HN 0.551 nan 8.190 nan 0.000 0.479 390 A N -0.065 122.658 122.820 -0.162 0.000 3.117 390 A HA 0.261 4.581 4.320 0.000 0.000 0.255 390 A C 0.329 177.935 177.584 0.038 0.000 1.583 390 A CA 0.363 52.409 52.037 0.016 0.000 1.234 390 A CB -0.671 18.403 19.000 0.122 0.000 1.076 390 A HN 0.407 nan 8.150 nan 0.000 0.653 391 D N 0.059 120.466 120.400 0.012 0.000 2.819 391 D HA 0.151 4.791 4.640 0.000 0.000 0.326 391 D C 0.324 176.632 176.300 0.014 0.000 1.408 391 D CA -0.085 53.921 54.000 0.011 0.000 0.811 391 D CB -0.375 40.423 40.800 -0.004 0.000 1.148 391 D HN 0.501 nan 8.370 nan 0.000 0.457 392 E N -0.047 120.180 120.200 0.045 0.000 2.539 392 E HA -0.247 4.103 4.350 0.000 0.000 0.253 392 E C 0.678 177.312 176.600 0.058 0.000 1.145 392 E CA 0.679 57.117 56.400 0.064 0.000 0.738 392 E CB -1.150 28.561 29.700 0.019 0.000 1.308 392 E HN 0.606 nan 8.360 nan 0.000 0.409 393 G N -1.935 106.893 108.800 0.046 0.000 2.225 393 G HA2 -0.250 3.710 3.960 0.000 0.000 0.264 393 G HA3 -0.250 3.710 3.960 0.000 0.000 0.264 393 G C 0.739 175.638 174.900 -0.002 0.000 1.060 393 G CA 0.689 45.805 45.100 0.026 0.000 0.833 393 G HN 0.819 nan 8.290 nan 0.000 0.498 394 A N -0.265 122.550 122.820 -0.009 0.000 1.930 394 A HA 0.126 4.447 4.320 0.000 0.000 0.217 394 A C 2.101 179.668 177.584 -0.027 0.000 1.175 394 A CA 1.691 53.718 52.037 -0.018 0.000 0.627 394 A CB -0.092 18.899 19.000 -0.015 0.000 0.815 394 A HN 0.546 nan 8.150 nan 0.000 0.443 395 R N -1.036 119.447 120.500 -0.029 0.000 2.633 395 R HA 0.299 4.639 4.340 0.000 0.000 0.348 395 R C -0.705 175.573 176.300 -0.036 0.000 1.100 395 R CA -0.057 56.024 56.100 -0.033 0.000 1.068 395 R CB 0.704 30.986 30.300 -0.030 0.000 1.351 395 R HN 0.219 nan 8.270 nan 0.000 0.575 396 V N 2.319 122.207 119.914 -0.042 0.000 2.357 396 V HA 0.143 4.263 4.120 0.000 0.000 0.284 396 V C 0.612 176.652 176.094 -0.089 0.000 1.018 396 V CA -0.364 61.904 62.300 -0.053 0.000 0.841 396 V CB 1.342 33.135 31.823 -0.051 0.000 0.991 396 V HN 0.323 nan 8.190 nan 0.000 0.437 397 E N 5.822 125.952 120.200 -0.117 0.000 2.206 397 E HA 0.056 4.406 4.350 0.000 0.000 0.195 397 E C -0.567 175.772 176.600 -0.435 0.000 0.935 397 E CA 0.405 56.627 56.400 -0.296 0.000 0.875 397 E CB 0.306 29.774 29.700 -0.386 0.000 0.841 397 E HN 0.659 nan 8.360 nan 0.000 0.477 398 Y N 0.899 121.167 120.300 -0.053 0.000 2.364 398 Y HA 0.475 5.025 4.550 0.000 0.000 0.340 398 Y C -0.377 175.474 175.900 -0.082 0.000 0.975 398 Y CA -1.085 56.981 58.100 -0.057 0.000 1.089 398 Y CB 2.420 40.851 38.460 -0.049 0.000 1.192 398 Y HN -0.264 nan 8.280 nan 0.000 0.454 399 V N 5.584 125.533 119.914 0.059 0.000 2.409 399 V HA 0.380 4.500 4.120 0.000 0.000 0.290 399 V C -0.707 175.385 176.094 -0.004 0.000 1.017 399 V CA -0.698 61.590 62.300 -0.019 0.000 0.841 399 V CB 1.262 33.051 31.823 -0.057 0.000 1.003 399 V HN 0.528 nan 8.190 nan 0.000 0.426 400 L N 4.333 125.542 121.223 -0.024 0.000 2.309 400 L HA 0.637 4.977 4.340 0.000 0.000 0.282 400 L C -0.094 176.753 176.870 -0.039 0.000 1.036 400 L CA 0.197 55.023 54.840 -0.023 0.000 0.806 400 L CB 1.609 43.652 42.059 -0.027 0.000 1.220 400 L HN 0.689 nan 8.230 nan 0.000 0.429 401 Q N 3.493 123.275 119.800 -0.030 0.000 2.275 401 Q HA 0.410 4.750 4.340 0.000 0.000 0.266 401 Q C -0.667 175.316 176.000 -0.028 0.000 1.002 401 Q CA -0.664 55.120 55.803 -0.032 0.000 0.761 401 Q CB 0.985 29.704 28.738 -0.031 0.000 1.255 401 Q HN 0.516 nan 8.270 nan 0.000 0.446 402 R N 2.797 123.281 120.500 -0.026 0.000 3.416 402 R HA -0.307 4.033 4.340 0.000 0.000 0.263 402 R C 0.666 176.955 176.300 -0.020 0.000 1.053 402 R CA 0.790 56.877 56.100 -0.022 0.000 0.705 402 R CB -2.257 28.028 30.300 -0.026 0.000 1.124 402 R HN 1.170 nan 8.270 nan 0.000 0.444 403 G N -1.400 107.388 108.800 -0.020 0.000 2.383 403 G HA2 -0.366 3.594 3.960 0.000 0.000 0.229 403 G HA3 -0.366 3.594 3.960 0.000 0.000 0.229 403 G C 0.255 175.143 174.900 -0.019 0.000 1.089 403 G CA 0.501 45.590 45.100 -0.019 0.000 0.640 403 G HN 0.587 nan 8.290 nan 0.000 0.510 404 T N 1.237 115.780 114.554 -0.018 0.000 2.856 404 T HA 0.560 4.910 4.350 0.000 0.000 0.292 404 T C 0.179 174.875 174.700 -0.007 0.000 0.980 404 T CA -0.057 62.036 62.100 -0.013 0.000 1.091 404 T CB 0.960 69.820 68.868 -0.013 0.000 0.936 404 T HN 1.068 nan 8.240 nan 0.000 0.503 405 L N 6.808 128.034 121.223 0.004 0.000 2.313 405 L HA 0.372 4.712 4.340 0.000 0.000 0.282 405 L C 0.579 177.463 176.870 0.023 0.000 1.092 405 L CA 0.348 55.203 54.840 0.026 0.000 0.831 405 L CB 0.640 42.732 42.059 0.056 0.000 1.159 405 L HN 0.612 nan 8.230 nan 0.000 0.442 406 V N 3.064 122.987 119.914 0.015 0.000 2.922 406 V HA 0.271 4.391 4.120 0.000 0.000 0.242 406 V C 0.636 176.730 176.094 0.000 0.000 1.094 406 V CA 0.467 62.768 62.300 0.002 0.000 1.106 406 V CB -0.439 31.379 31.823 -0.009 0.000 0.799 406 V HN 0.596 nan 8.190 nan 0.000 0.474 407 K N 1.833 122.233 120.400 0.000 0.000 2.358 407 K HA 0.515 4.835 4.320 0.000 0.000 0.260 407 K C -0.827 175.744 176.600 -0.050 0.000 0.956 407 K CA -0.273 55.999 56.287 -0.024 0.000 0.834 407 K CB 2.408 34.888 32.500 -0.032 0.000 1.102 407 K HN 0.106 nan 8.250 nan 0.000 0.431 408 R N 3.092 123.546 120.500 -0.078 0.000 2.388 408 R HA 0.253 4.593 4.340 0.000 0.000 0.314 408 R C -0.758 175.438 176.300 -0.173 0.000 0.959 408 R CA -0.199 55.798 56.100 -0.171 0.000 0.851 408 R CB 1.034 31.281 30.300 -0.088 0.000 1.168 408 R HN 0.670 nan 8.270 nan 0.000 0.472 409 Q N 0.000 119.655 119.800 -0.242 0.000 2.315 409 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 409 Q CA 0.000 55.705 55.803 -0.163 0.000 1.022 409 Q CB 0.000 28.664 28.738 -0.123 0.000 1.108 409 Q HN 0.000 nan 8.270 nan 0.000 0.481