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_N 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 0.000 174.690 174.700 -0.017 0.000 1.109 2 T CA 0.000 62.091 62.100 -0.015 0.000 1.349 2 T CB 0.000 68.861 68.868 -0.012 0.000 0.612 3 I N 3.130 123.690 120.570 -0.017 0.000 2.353 3 I HA 0.639 4.809 4.170 -0.000 0.000 0.293 3 I C -1.075 175.028 176.117 -0.023 0.000 0.992 3 I CA 0.089 61.378 61.300 -0.018 0.000 1.268 3 I CB 1.455 39.445 38.000 -0.016 0.000 1.387 3 I HN 0.317 nan 8.210 nan 0.000 0.478 4 T N 5.780 120.319 114.554 -0.025 0.000 2.903 4 T HA 0.580 4.930 4.350 -0.000 0.000 0.299 4 T C -0.985 173.699 174.700 -0.027 0.000 1.093 4 T CA -0.570 61.512 62.100 -0.031 0.000 1.002 4 T CB 2.088 70.931 68.868 -0.041 0.000 1.127 4 T HN 0.259 nan 8.240 nan 0.000 0.488 5 V N 2.616 122.514 119.914 -0.028 0.000 2.577 5 V HA 0.447 4.567 4.120 -0.000 0.000 0.303 5 V C -0.557 175.529 176.094 -0.014 0.000 1.042 5 V CA -0.917 61.377 62.300 -0.011 0.000 0.872 5 V CB 1.666 33.487 31.823 -0.004 0.000 0.998 5 V HN 0.725 nan 8.190 nan 0.000 0.423 6 L N 5.474 126.693 121.223 -0.005 0.000 2.305 6 L HA 0.573 4.913 4.340 -0.000 0.000 0.281 6 L C 0.203 177.103 176.870 0.051 0.000 1.085 6 L CA -0.276 54.558 54.840 -0.009 0.000 0.813 6 L CB 1.144 43.186 42.059 -0.028 0.000 1.157 6 L HN 0.763 nan 8.230 nan 0.000 0.436 7 Q N 1.727 121.559 119.800 0.053 0.000 2.377 7 Q HA 0.500 4.840 4.340 -0.000 0.000 0.271 7 Q C 0.466 176.455 176.000 -0.018 0.000 1.077 7 Q CA -0.343 55.532 55.803 0.121 0.000 0.820 7 Q CB 2.178 31.048 28.738 0.219 0.000 1.347 7 Q HN 0.808 nan 8.270 nan 0.000 0.444 8 G N 1.382 110.066 108.800 -0.192 0.000 2.168 8 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.257 8 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.257 8 G C 0.419 175.228 174.900 -0.153 0.000 0.997 8 G CA 0.068 45.064 45.100 -0.174 0.000 0.708 8 G HN 1.023 nan 8.290 nan 0.000 0.520 9 G N -0.712 108.017 108.800 -0.119 0.000 2.594 9 G HA2 0.423 4.383 3.960 -0.000 0.000 0.243 9 G HA3 0.423 4.383 3.960 -0.000 0.000 0.243 9 G C 0.139 174.972 174.900 -0.112 0.000 1.229 9 G CA -0.270 44.776 45.100 -0.091 0.000 0.843 9 G HN 0.468 nan 8.290 nan 0.000 0.578 10 N N 0.530 119.169 118.700 -0.103 0.000 3.105 10 N HA 0.215 4.955 4.740 -0.000 0.000 0.256 10 N C -0.320 175.157 175.510 -0.055 0.000 1.174 10 N CA -0.549 52.444 53.050 -0.095 0.000 1.030 10 N CB 1.346 39.768 38.487 -0.108 0.000 1.305 10 N HN 0.152 nan 8.380 nan 0.000 0.509 11 V N 2.382 122.273 119.914 -0.039 0.000 2.493 11 V HA -0.046 4.074 4.120 -0.000 0.000 0.292 11 V C 0.653 176.713 176.094 -0.056 0.000 1.016 11 V CA 0.119 62.390 62.300 -0.048 0.000 1.097 11 V CB 0.619 32.411 31.823 -0.052 0.000 0.947 11 V HN 0.565 nan 8.190 nan 0.000 0.479 12 L N 5.641 126.837 121.223 -0.044 0.000 2.302 12 L HA 0.316 4.656 4.340 -0.000 0.000 0.285 12 L C 0.474 177.326 176.870 -0.031 0.000 1.090 12 L CA -0.107 54.714 54.840 -0.032 0.000 0.866 12 L CB 0.309 42.358 42.059 -0.017 0.000 1.244 12 L HN 0.682 nan 8.230 nan 0.000 0.435 13 D N 4.105 124.481 120.400 -0.041 0.000 2.325 13 D HA 0.054 4.694 4.640 -0.000 0.000 0.251 13 D C 0.864 177.159 176.300 -0.009 0.000 1.196 13 D CA -0.162 53.819 54.000 -0.032 0.000 0.866 13 D CB 1.524 42.293 40.800 -0.052 0.000 1.101 13 D HN 0.523 nan 8.370 nan 0.000 0.476 14 L N 4.104 125.331 121.223 0.007 0.000 2.034 14 L HA -0.155 4.185 4.340 -0.000 0.000 0.203 14 L C 2.626 179.514 176.870 0.030 0.000 1.074 14 L CA 0.811 55.667 54.840 0.027 0.000 0.748 14 L CB -0.323 41.763 42.059 0.045 0.000 0.905 14 L HN 0.529 nan 8.230 nan 0.000 0.439 15 E N 0.625 120.842 120.200 0.028 0.000 2.130 15 E HA -0.279 4.071 4.350 -0.000 0.000 0.196 15 E C 2.076 178.691 176.600 0.024 0.000 0.998 15 E CA 1.384 57.803 56.400 0.031 0.000 0.806 15 E CB -0.317 29.400 29.700 0.029 0.000 0.738 15 E HN 0.503 nan 8.360 nan 0.000 0.459 16 R N 0.253 120.762 120.500 0.015 0.000 2.054 16 R HA 0.125 4.465 4.340 -0.000 0.000 0.223 16 R C 1.432 177.741 176.300 0.015 0.000 1.176 16 R CA 1.284 57.391 56.100 0.011 0.000 0.934 16 R CB -0.144 30.157 30.300 0.001 0.000 0.828 16 R HN 0.403 nan 8.270 nan 0.000 0.441 17 G N -0.046 108.760 108.800 0.011 0.000 2.223 17 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.200 17 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.200 17 G C -0.459 174.447 174.900 0.010 0.000 1.061 17 G CA -0.200 44.910 45.100 0.015 0.000 0.790 17 G HN 0.333 nan 8.290 nan 0.000 0.498 18 V N -2.430 117.483 119.914 -0.000 0.000 3.160 18 V HA 0.851 4.971 4.120 -0.000 0.000 0.310 18 V C 0.456 176.541 176.094 -0.015 0.000 1.181 18 V CA -1.664 60.635 62.300 -0.003 0.000 1.047 18 V CB 1.867 33.690 31.823 -0.001 0.000 1.068 18 V HN 0.268 nan 8.190 nan 0.000 0.441 19 L N 1.503 122.718 121.223 -0.013 0.000 2.371 19 L HA 0.457 4.797 4.340 -0.000 0.000 0.272 19 L C -0.526 176.332 176.870 -0.019 0.000 1.124 19 L CA -0.311 54.516 54.840 -0.022 0.000 0.816 19 L CB 1.000 43.046 42.059 -0.022 0.000 1.129 19 L HN 0.535 nan 8.230 nan 0.000 0.448 20 L N 4.169 125.370 121.223 -0.037 0.000 2.426 20 L HA 0.214 4.554 4.340 -0.000 0.000 0.255 20 L C 0.342 177.310 176.870 0.164 0.000 1.080 20 L CA -0.544 54.286 54.840 -0.016 0.000 0.960 20 L CB 0.495 42.353 42.059 -0.335 0.000 1.326 20 L HN 0.604 nan 8.230 nan 0.000 0.441 21 E N 2.426 122.697 120.200 0.120 0.000 2.398 21 E HA -0.002 4.348 4.350 -0.000 0.000 0.263 21 E C 0.101 176.708 176.600 0.011 0.000 1.046 21 E CA -0.307 56.067 56.400 -0.044 0.000 0.908 21 E CB 0.342 29.945 29.700 -0.162 0.000 0.963 21 E HN 0.546 nan 8.360 nan 0.000 0.431 22 H N -0.538 118.500 119.070 -0.054 0.000 3.179 22 H HA -0.173 4.383 4.556 -0.000 0.000 0.250 22 H C -0.651 174.454 175.328 -0.371 0.000 1.142 22 H CA 1.230 57.153 56.048 -0.208 0.000 1.165 22 H CB -2.228 27.421 29.762 -0.188 0.000 1.253 22 H HN 0.627 nan 8.280 nan 0.000 0.325 23 H N 1.955 120.945 119.070 -0.132 0.000 2.864 23 H HA 0.127 4.683 4.556 -0.000 0.000 0.281 23 H C 0.859 176.110 175.328 -0.129 0.000 1.093 23 H CA -0.046 55.944 56.048 -0.097 0.000 1.453 23 H CB 0.326 30.074 29.762 -0.024 0.000 1.462 23 H HN 0.275 nan 8.280 nan 0.000 0.480 24 H N 2.332 121.449 119.070 0.077 0.000 2.790 24 H HA 0.110 4.666 4.556 -0.000 0.000 0.358 24 H C -0.133 175.225 175.328 0.050 0.000 1.103 24 H CA -0.051 56.024 56.048 0.044 0.000 1.426 24 H CB 0.937 30.709 29.762 0.018 0.000 1.424 24 H HN 0.275 nan 8.280 nan 0.000 0.599 25 V N 4.080 124.074 119.914 0.135 0.000 2.407 25 V HA 0.102 4.222 4.120 -0.000 0.000 0.291 25 V C 0.138 176.261 176.094 0.049 0.000 1.018 25 V CA -0.759 61.585 62.300 0.074 0.000 0.842 25 V CB 1.631 33.473 31.823 0.031 0.000 0.996 25 V HN 0.442 nan 8.190 nan 0.000 0.426 26 V N 6.110 126.047 119.914 0.039 0.000 2.465 26 V HA 0.484 4.604 4.120 -0.000 0.000 0.279 26 V C -0.113 175.983 176.094 0.003 0.000 1.045 26 V CA -0.417 61.892 62.300 0.015 0.000 0.938 26 V CB 1.558 33.386 31.823 0.009 0.000 0.986 26 V HN 0.565 nan 8.190 nan 0.000 0.467 27 I N 3.760 124.326 120.570 -0.007 0.000 2.436 27 I HA 0.536 4.706 4.170 -0.000 0.000 0.289 27 I C -0.604 175.505 176.117 -0.013 0.000 1.010 27 I CA -0.444 60.848 61.300 -0.012 0.000 1.098 27 I CB 1.619 39.607 38.000 -0.021 0.000 1.266 27 I HN 0.688 nan 8.210 nan 0.000 0.434 28 D N 3.073 123.467 120.400 -0.010 0.000 2.738 28 D HA 0.621 5.261 4.640 -0.000 0.000 0.237 28 D C 0.805 177.100 176.300 -0.009 0.000 1.123 28 D CA 0.692 54.685 54.000 -0.010 0.000 0.856 28 D CB 2.131 42.927 40.800 -0.008 0.000 1.552 28 D HN 0.769 nan 8.370 nan 0.000 0.480 29 G N 3.319 112.113 108.800 -0.010 0.000 4.230 29 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.340 29 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.340 29 G C 0.771 175.665 174.900 -0.009 0.000 1.315 29 G CA 0.923 46.018 45.100 -0.008 0.000 1.033 29 G HN 0.586 nan 8.290 nan 0.000 0.741 30 E N 0.021 120.217 120.200 -0.007 0.000 2.712 30 E HA 0.283 4.633 4.350 -0.000 0.000 0.221 30 E C 0.697 177.293 176.600 -0.007 0.000 0.943 30 E CA -0.200 56.195 56.400 -0.008 0.000 1.259 30 E CB 1.147 30.844 29.700 -0.004 0.000 1.167 30 E HN 0.475 nan 8.360 nan 0.000 0.569 31 R N 0.390 120.887 120.500 -0.005 0.000 2.837 31 R HA 0.518 4.858 4.340 -0.000 0.000 0.271 31 R C -0.647 175.651 176.300 -0.004 0.000 0.993 31 R CA -0.808 55.290 56.100 -0.003 0.000 0.931 31 R CB 1.983 32.284 30.300 0.002 0.000 1.206 31 R HN -0.082 nan 8.270 nan 0.000 0.474 32 I N 2.191 122.759 120.570 -0.003 0.000 2.471 32 I HA -0.018 4.152 4.170 -0.000 0.000 0.286 32 I C 0.882 177.001 176.117 0.004 0.000 1.079 32 I CA 0.031 61.330 61.300 -0.001 0.000 1.398 32 I CB 1.021 39.020 38.000 -0.001 0.000 1.403 32 I HN 0.454 nan 8.210 nan 0.000 0.530 33 V N 3.645 123.563 119.914 0.005 0.000 3.379 33 V HA 0.207 4.327 4.120 -0.000 0.000 0.249 33 V C 0.463 176.565 176.094 0.013 0.000 1.184 33 V CA 0.303 62.607 62.300 0.007 0.000 1.106 33 V CB -0.143 31.681 31.823 0.003 0.000 0.826 33 V HN 0.786 nan 8.190 nan 0.000 0.465 34 E N -0.028 120.184 120.200 0.020 0.000 2.321 34 E HA 0.501 4.850 4.350 -0.000 0.000 0.281 34 E C -1.911 174.722 176.600 0.055 0.000 0.910 34 E CA -0.291 56.130 56.400 0.034 0.000 0.770 34 E CB 2.782 32.499 29.700 0.030 0.000 1.225 34 E HN 0.004 nan 8.360 nan 0.000 0.417 35 V N 3.550 123.504 119.914 0.067 0.000 2.266 35 V HA 0.442 4.562 4.120 -0.000 0.000 0.271 35 V C -0.171 176.033 176.094 0.182 0.000 1.032 35 V CA -0.410 61.949 62.300 0.098 0.000 0.806 35 V CB 1.118 32.965 31.823 0.040 0.000 1.052 35 V HN 0.648 nan 8.190 nan 0.000 0.449 36 T N 1.509 116.210 114.554 0.245 0.000 2.903 36 T HA 0.333 4.683 4.350 -0.000 0.000 0.299 36 T C 0.502 175.330 174.700 0.214 0.000 1.093 36 T CA -0.248 62.006 62.100 0.256 0.000 1.002 36 T CB 1.979 70.928 68.868 0.134 0.000 1.127 36 T HN 0.755 nan 8.240 nan 0.000 0.488 37 D N 2.281 122.651 120.400 -0.051 0.000 2.367 37 D HA 0.013 4.653 4.640 -0.000 0.000 0.207 37 D C 0.258 176.589 176.300 0.050 0.000 1.034 37 D CA -0.203 53.631 54.000 -0.278 0.000 0.861 37 D CB 0.265 40.658 40.800 -0.679 0.000 0.943 37 D HN 0.247 nan 8.370 nan 0.000 0.515 38 R N 1.926 122.464 120.500 0.064 0.000 2.484 38 R HA 0.194 4.534 4.340 -0.000 0.000 0.293 38 R C -2.205 174.077 176.300 -0.029 0.000 1.023 38 R CA -1.412 54.704 56.100 0.027 0.000 1.037 38 R CB -0.344 29.956 30.300 -0.000 0.000 0.951 38 R HN 0.124 nan 8.270 nan 0.000 0.418 39 P HA -0.156 nan 4.420 nan 0.000 0.259 39 P C 0.017 177.138 177.300 -0.298 0.000 1.155 39 P CA 0.305 63.318 63.100 -0.145 0.000 0.759 39 P CB 0.330 31.999 31.700 -0.052 0.000 0.753 40 V N 3.627 123.234 119.914 -0.511 0.000 2.521 40 V HA 0.021 4.141 4.120 -0.000 0.000 0.286 40 V C 0.233 176.217 176.094 -0.183 0.000 1.034 40 V CA -0.133 61.931 62.300 -0.394 0.000 1.045 40 V CB 0.295 31.859 31.823 -0.432 0.000 0.974 40 V HN 0.450 nan 8.190 nan 0.000 0.480 41 D N 6.081 126.403 120.400 -0.130 0.000 2.374 41 D HA 0.319 4.959 4.640 -0.000 0.000 0.240 41 D C -0.080 176.180 176.300 -0.065 0.000 1.229 41 D CA -0.153 53.800 54.000 -0.079 0.000 0.895 41 D CB 0.262 41.026 40.800 -0.060 0.000 1.046 41 D HN 0.669 nan 8.370 nan 0.000 0.498 42 L N 2.510 123.699 121.223 -0.056 0.000 2.408 42 L HA 0.599 4.939 4.340 -0.000 0.000 0.257 42 L C -2.119 174.732 176.870 -0.032 0.000 1.053 42 L CA -1.254 53.560 54.840 -0.043 0.000 0.922 42 L CB 1.213 43.246 42.059 -0.043 0.000 1.261 42 L HN 0.160 nan 8.230 nan 0.000 0.458 43 P HA 0.057 nan 4.420 nan 0.000 0.209 43 P C 0.441 177.729 177.300 -0.020 0.000 1.201 43 P CA 0.805 63.892 63.100 -0.022 0.000 0.911 43 P CB 0.255 31.944 31.700 -0.020 0.000 0.758 44 N N -0.765 117.923 118.700 -0.019 0.000 2.320 44 N HA 0.360 5.100 4.740 -0.000 0.000 0.237 44 N C -0.730 174.768 175.510 -0.019 0.000 1.129 44 N CA -0.336 52.704 53.050 -0.017 0.000 0.854 44 N CB 0.028 38.506 38.487 -0.015 0.000 1.083 44 N HN 0.080 nan 8.380 nan 0.000 0.504 45 A N 0.695 123.502 122.820 -0.022 0.000 2.274 45 A HA 0.212 4.532 4.320 -0.000 0.000 0.309 45 A C -0.043 177.526 177.584 -0.025 0.000 1.226 45 A CA -0.474 51.549 52.037 -0.024 0.000 0.853 45 A CB 0.816 19.800 19.000 -0.027 0.000 1.146 45 A HN 0.353 nan 8.150 nan 0.000 0.518 46 Q N 1.315 121.099 119.800 -0.027 0.000 2.352 46 Q HA 0.494 4.834 4.340 -0.000 0.000 0.260 46 Q C -0.366 175.613 176.000 -0.035 0.000 0.976 46 Q CA 0.003 55.787 55.803 -0.031 0.000 0.881 46 Q CB 1.028 29.745 28.738 -0.034 0.000 1.235 46 Q HN 0.843 nan 8.270 nan 0.000 0.419 47 A N 4.763 127.562 122.820 -0.036 0.000 2.365 47 A HA 0.712 5.032 4.320 -0.000 0.000 0.318 47 A C -1.045 176.505 177.584 -0.057 0.000 1.091 47 A CA -0.690 51.326 52.037 -0.035 0.000 0.763 47 A CB 1.021 20.010 19.000 -0.018 0.000 1.248 47 A HN 0.767 nan 8.150 nan 0.000 0.442 48 I N 1.424 121.950 120.570 -0.073 0.000 2.466 48 I HA 0.223 4.393 4.170 -0.000 0.000 0.289 48 I C -1.031 175.036 176.117 -0.082 0.000 1.026 48 I CA -0.474 60.752 61.300 -0.123 0.000 1.078 48 I CB 2.168 40.025 38.000 -0.238 0.000 1.249 48 I HN 0.595 nan 8.210 nan 0.000 0.429 49 D N 6.453 126.820 120.400 -0.056 0.000 2.435 49 D HA 0.178 4.818 4.640 -0.000 0.000 0.230 49 D C 0.057 176.360 176.300 0.004 0.000 1.215 49 D CA 0.086 54.081 54.000 -0.010 0.000 0.947 49 D CB 0.830 41.636 40.800 0.010 0.000 1.048 49 D HN 0.163 nan 8.370 nan 0.000 0.512 50 V N 5.248 125.159 119.914 -0.005 0.000 2.955 50 V HA 0.136 4.256 4.120 -0.000 0.000 0.379 50 V C 0.868 176.957 176.094 -0.008 0.000 1.288 50 V CA -0.722 61.584 62.300 0.009 0.000 1.358 50 V CB -0.941 30.880 31.823 -0.005 0.000 1.406 50 V HN 0.375 nan 8.190 nan 0.000 0.569 51 R N 1.285 121.784 120.500 -0.002 0.000 2.441 51 R HA 0.452 4.792 4.340 -0.000 0.000 0.284 51 R C 0.937 177.221 176.300 -0.026 0.000 1.070 51 R CA 0.647 56.736 56.100 -0.018 0.000 1.047 51 R CB 0.495 30.804 30.300 0.016 0.000 1.016 51 R HN 0.629 nan 8.270 nan 0.000 0.477 52 G N 2.091 110.849 108.800 -0.070 0.000 2.220 52 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.269 52 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.269 52 G C -0.414 174.454 174.900 -0.053 0.000 0.977 52 G CA 0.857 45.919 45.100 -0.063 0.000 0.634 52 G HN 0.632 nan 8.290 nan 0.000 0.539 53 K N 0.978 121.351 120.400 -0.045 0.000 2.221 53 K HA 0.513 4.833 4.320 -0.000 0.000 0.258 53 K C -0.100 176.477 176.600 -0.039 0.000 0.944 53 K CA -0.527 55.743 56.287 -0.028 0.000 0.823 53 K CB 1.495 33.996 32.500 0.001 0.000 1.113 53 K HN 0.074 nan 8.250 nan 0.000 0.431 54 T N 1.887 116.419 114.554 -0.037 0.000 2.888 54 T HA 0.117 4.467 4.350 -0.000 0.000 0.301 54 T C 0.061 174.739 174.700 -0.037 0.000 1.001 54 T CA -0.374 61.702 62.100 -0.040 0.000 1.147 54 T CB 0.323 69.170 68.868 -0.035 0.000 0.931 54 T HN 0.189 nan 8.240 nan 0.000 0.541 55 V N 5.574 125.462 119.914 -0.043 0.000 2.495 55 V HA 0.728 4.848 4.120 -0.000 0.000 0.298 55 V C -0.002 176.056 176.094 -0.060 0.000 1.031 55 V CA -0.904 61.366 62.300 -0.049 0.000 0.871 55 V CB 1.093 32.891 31.823 -0.041 0.000 0.988 55 V HN 1.014 nan 8.190 nan 0.000 0.432 56 M N 4.562 124.108 119.600 -0.090 0.000 2.683 56 M HA 0.804 5.284 4.480 -0.000 0.000 0.274 56 M C -3.180 173.017 176.300 -0.171 0.000 1.272 56 M CA -2.015 53.226 55.300 -0.098 0.000 0.833 56 M CB 2.665 35.229 32.600 -0.061 0.000 1.708 56 M HN 0.254 nan 8.290 nan 0.000 0.463 57 P HA 0.244 nan 4.420 nan 0.000 0.271 57 P C -0.169 176.881 177.300 -0.416 0.000 1.216 57 P CA 0.089 63.073 63.100 -0.194 0.000 0.776 57 P CB 0.434 32.079 31.700 -0.091 0.000 0.881 58 G N 2.976 111.537 108.800 -0.399 0.000 2.334 58 G HA2 0.244 4.204 3.960 -0.000 0.000 0.261 58 G HA3 0.244 4.204 3.960 -0.000 0.000 0.261 58 G C -0.355 174.295 174.900 -0.417 0.000 1.257 58 G CA -0.254 44.511 45.100 -0.559 0.000 0.935 58 G HN 0.235 nan 8.290 nan 0.000 0.480 59 F N 1.050 120.905 119.950 -0.160 0.000 2.535 59 F HA 0.377 4.904 4.527 -0.000 0.000 0.332 59 F C 0.921 176.766 175.800 0.075 0.000 1.208 59 F CA -0.472 57.453 58.000 -0.126 0.000 1.330 59 F CB 0.470 39.222 39.000 -0.414 0.000 1.167 59 F HN 0.196 nan 8.300 nan 0.000 0.597 60 I N 1.181 121.956 120.570 0.342 0.000 2.410 60 I HA 0.165 4.335 4.170 -0.000 0.000 0.286 60 I C -0.891 175.426 176.117 0.334 0.000 1.009 60 I CA -0.644 60.841 61.300 0.308 0.000 1.111 60 I CB 1.465 39.594 38.000 0.214 0.000 1.262 60 I HN 0.451 nan 8.210 nan 0.000 0.443 61 D N 5.415 126.002 120.400 0.312 0.000 2.347 61 D HA 0.209 4.849 4.640 -0.000 0.000 0.235 61 D C 0.360 176.771 176.300 0.185 0.000 1.149 61 D CA -0.304 53.840 54.000 0.240 0.000 0.850 61 D CB 1.424 42.195 40.800 -0.049 0.000 1.061 61 D HN 0.551 nan 8.370 nan 0.000 0.487 62 C N 2.737 122.160 119.300 0.205 0.000 2.626 62 C HA 0.116 4.576 4.460 -0.000 0.000 0.266 62 C C 0.845 175.898 174.990 0.106 0.000 1.317 62 C CA -0.139 58.961 59.018 0.137 0.000 1.716 62 C CB -1.757 26.047 27.740 0.107 0.000 1.819 62 C HN 0.587 nan 8.230 nan 0.000 0.578 63 H N -0.153 118.900 119.070 -0.028 0.000 3.093 63 H HA 0.470 5.026 4.556 -0.000 0.000 0.311 63 H C -0.711 174.520 175.328 -0.163 0.000 1.294 63 H CA -0.187 55.791 56.048 -0.118 0.000 1.628 63 H CB 0.558 30.227 29.762 -0.154 0.000 1.874 63 H HN 0.104 nan 8.280 nan 0.000 0.574 64 V N 0.966 120.786 119.914 -0.157 0.000 3.126 64 V HA 0.584 4.704 4.120 -0.000 0.000 0.314 64 V C -0.677 175.200 176.094 -0.362 0.000 1.138 64 V CA -0.765 61.463 62.300 -0.120 0.000 1.034 64 V CB 2.595 34.408 31.823 -0.018 0.000 1.075 64 V HN 0.735 nan 8.190 nan 0.000 0.442 65 H N 1.082 120.243 119.070 0.152 0.000 2.380 65 H HA 0.384 4.940 4.556 -0.000 0.000 0.231 65 H C 0.890 176.297 175.328 0.132 0.000 1.415 65 H CA -0.192 55.927 56.048 0.118 0.000 1.433 65 H CB 1.440 31.274 29.762 0.120 0.000 1.544 65 H HN 0.528 nan 8.280 nan 0.000 0.503 66 V N 1.245 121.230 119.914 0.118 0.000 2.363 66 V HA -0.309 3.811 4.120 -0.000 0.000 0.254 66 V C 2.227 178.333 176.094 0.020 0.000 1.074 66 V CA 1.882 64.186 62.300 0.007 0.000 1.069 66 V CB -0.248 31.556 31.823 -0.031 0.000 0.659 66 V HN 0.510 nan 8.190 nan 0.000 0.455 67 L N -0.330 120.937 121.223 0.073 0.000 2.558 67 L HA 0.250 4.590 4.340 -0.000 0.000 0.225 67 L C 1.408 178.317 176.870 0.065 0.000 1.128 67 L CA 0.230 55.102 54.840 0.053 0.000 0.868 67 L CB -0.239 41.851 42.059 0.052 0.000 1.006 67 L HN 0.269 nan 8.230 nan 0.000 0.454 68 A N 0.018 122.912 122.820 0.124 0.000 2.797 68 A HA 0.228 4.548 4.320 -0.000 0.000 0.296 68 A C 1.266 178.920 177.584 0.117 0.000 1.580 68 A CA 0.118 52.211 52.037 0.093 0.000 1.277 68 A CB -0.230 18.829 19.000 0.098 0.000 1.101 68 A HN 0.351 nan 8.150 nan 0.000 0.562 69 S N 1.096 116.821 115.700 0.042 0.000 2.575 69 S HA 0.118 4.588 4.470 -0.000 0.000 0.215 69 S C 0.285 174.876 174.600 -0.015 0.000 0.966 69 S CA 0.050 58.264 58.200 0.023 0.000 0.911 69 S CB -0.632 62.564 63.200 -0.007 0.000 0.780 69 S HN 0.947 nan 8.310 nan 0.000 0.514 70 N N -1.260 117.423 118.700 -0.029 0.000 2.396 70 N HA 0.630 5.370 4.740 -0.000 0.000 0.275 70 N C 0.183 175.661 175.510 -0.054 0.000 1.218 70 N CA -0.450 52.569 53.050 -0.052 0.000 0.812 70 N CB 0.908 39.365 38.487 -0.050 0.000 1.592 70 N HN -0.078 nan 8.380 nan 0.000 0.480 71 A N 0.487 123.286 122.820 -0.035 0.000 2.168 71 A HA -0.011 4.309 4.320 -0.000 0.000 0.215 71 A C 0.673 178.229 177.584 -0.048 0.000 1.152 71 A CA 0.530 52.556 52.037 -0.018 0.000 0.716 71 A CB -0.670 18.363 19.000 0.056 0.000 0.794 71 A HN 0.688 nan 8.150 nan 0.000 0.465 72 N N 0.849 119.508 118.700 -0.068 0.000 2.469 72 N HA 0.308 5.048 4.740 -0.000 0.000 0.239 72 N C 0.476 175.847 175.510 -0.231 0.000 1.053 72 N CA -0.135 52.842 53.050 -0.122 0.000 0.937 72 N CB 0.663 39.102 38.487 -0.079 0.000 1.163 72 N HN 0.296 nan 8.380 nan 0.000 0.509 73 L N 2.042 123.032 121.223 -0.389 0.000 2.395 73 L HA 0.103 4.443 4.340 -0.000 0.000 0.218 73 L C 2.176 178.469 176.870 -0.961 0.000 1.130 73 L CA 0.634 55.075 54.840 -0.664 0.000 0.826 73 L CB -0.030 41.532 42.059 -0.827 0.000 0.941 73 L HN 0.533 nan 8.230 nan 0.000 0.451 74 G N -0.762 107.588 108.800 -0.750 0.000 2.403 74 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.216 74 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.216 74 G C 1.505 176.281 174.900 -0.207 0.000 1.154 74 G CA 0.644 45.485 45.100 -0.432 0.000 0.784 74 G HN 0.194 nan 8.290 nan 0.000 0.538 75 V N 0.414 120.221 119.914 -0.178 0.000 3.354 75 V HA 0.072 4.192 4.120 -0.000 0.000 0.258 75 V C 2.256 178.292 176.094 -0.096 0.000 1.159 75 V CA 1.225 63.466 62.300 -0.099 0.000 1.125 75 V CB 0.018 31.802 31.823 -0.065 0.000 0.774 75 V HN 0.392 nan 8.190 nan 0.000 0.464 76 N N 0.626 119.238 118.700 -0.147 0.000 2.216 76 N HA -0.057 4.683 4.740 -0.000 0.000 0.183 76 N C 1.756 177.220 175.510 -0.078 0.000 1.017 76 N CA 1.475 54.457 53.050 -0.113 0.000 0.861 76 N CB -0.154 38.245 38.487 -0.146 0.000 0.986 76 N HN 0.459 nan 8.380 nan 0.000 0.428 77 A N -0.709 122.053 122.820 -0.096 0.000 1.968 77 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 77 A C 2.108 179.700 177.584 0.013 0.000 1.169 77 A CA 1.793 53.824 52.037 -0.010 0.000 0.638 77 A CB -0.976 18.056 19.000 0.054 0.000 0.812 77 A HN 0.518 nan 8.150 nan 0.000 0.446 78 T N -1.104 113.447 114.554 -0.005 0.000 3.100 78 T HA 0.069 4.419 4.350 -0.000 0.000 0.253 78 T C 0.938 175.642 174.700 0.007 0.000 1.118 78 T CA 0.347 62.453 62.100 0.011 0.000 1.058 78 T CB -0.526 68.346 68.868 0.006 0.000 0.953 78 T HN 0.707 nan 8.240 nan 0.000 0.515 79 Q N 1.865 121.663 119.800 -0.003 0.000 2.392 79 Q HA 0.306 4.646 4.340 -0.000 0.000 0.262 79 Q C -2.670 173.336 176.000 0.010 0.000 1.003 79 Q CA -1.878 53.925 55.803 -0.001 0.000 0.888 79 Q CB -0.097 28.635 28.738 -0.010 0.000 1.260 79 Q HN 0.090 nan 8.270 nan 0.000 0.435 80 P HA -0.037 nan 4.420 nan 0.000 0.267 80 P C -0.117 177.194 177.300 0.019 0.000 1.201 80 P CA -0.139 62.970 63.100 0.015 0.000 0.775 80 P CB 0.545 32.251 31.700 0.009 0.000 0.854 81 N N 1.870 120.586 118.700 0.027 0.000 2.007 81 N HA -0.168 4.572 4.740 -0.000 0.000 0.197 81 N C 1.522 177.046 175.510 0.024 0.000 1.050 81 N CA 1.160 54.230 53.050 0.033 0.000 0.856 81 N CB -0.895 37.617 38.487 0.042 0.000 1.050 81 N HN 0.442 nan 8.380 nan 0.000 0.423 82 I N 0.667 121.247 120.570 0.017 0.000 2.315 82 I HA -0.132 4.038 4.170 -0.000 0.000 0.248 82 I C 1.753 177.873 176.117 0.004 0.000 1.117 82 I CA 1.070 62.376 61.300 0.010 0.000 1.404 82 I CB -0.570 37.434 38.000 0.008 0.000 1.071 82 I HN 0.134 nan 8.210 nan 0.000 0.419 83 L N 1.118 122.343 121.223 0.003 0.000 2.131 83 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 83 L C 2.847 179.715 176.870 -0.004 0.000 1.092 83 L CA 1.220 56.059 54.840 -0.002 0.000 0.759 83 L CB -0.543 41.514 42.059 -0.003 0.000 0.903 83 L HN 0.327 nan 8.230 nan 0.000 0.435 84 A N -0.248 122.573 122.820 0.002 0.000 1.898 84 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 84 A C 2.491 180.075 177.584 -0.000 0.000 1.181 84 A CA 1.613 53.651 52.037 0.002 0.000 0.620 84 A CB -0.629 18.378 19.000 0.012 0.000 0.819 84 A HN 0.420 nan 8.150 nan 0.000 0.442 85 A N 0.117 122.939 122.820 0.003 0.000 1.877 85 A HA -0.053 4.266 4.320 -0.000 0.000 0.216 85 A C 2.012 179.587 177.584 -0.014 0.000 1.186 85 A CA 1.605 53.641 52.037 -0.003 0.000 0.620 85 A CB -0.528 18.474 19.000 0.003 0.000 0.822 85 A HN 0.398 nan 8.150 nan 0.000 0.443 86 I N -0.119 120.443 120.570 -0.014 0.000 2.127 86 I HA -0.236 3.934 4.170 -0.000 0.000 0.241 86 I C 2.467 178.568 176.117 -0.027 0.000 1.075 86 I CA 1.616 62.904 61.300 -0.020 0.000 1.334 86 I CB -1.397 36.593 38.000 -0.016 0.000 1.040 86 I HN 0.352 nan 8.210 nan 0.000 0.405 87 R N 0.728 121.213 120.500 -0.025 0.000 2.241 87 R HA -0.121 4.219 4.340 -0.000 0.000 0.224 87 R C 2.376 178.649 176.300 -0.045 0.000 1.101 87 R CA 1.463 57.543 56.100 -0.032 0.000 0.995 87 R CB -0.209 30.075 30.300 -0.026 0.000 0.870 87 R HN 0.539 nan 8.270 nan 0.000 0.463 88 S N 0.247 115.921 115.700 -0.043 0.000 2.446 88 S HA -0.001 4.469 4.470 -0.000 0.000 0.225 88 S C 1.953 176.507 174.600 -0.077 0.000 1.016 88 S CA 0.341 58.504 58.200 -0.061 0.000 0.943 88 S CB -0.152 63.023 63.200 -0.040 0.000 0.786 88 S HN 0.208 nan 8.310 nan 0.000 0.508 89 L N 1.230 122.417 121.223 -0.060 0.000 2.093 89 L HA 0.058 4.398 4.340 -0.000 0.000 0.208 89 L C -0.698 176.134 176.870 -0.063 0.000 1.085 89 L CA 0.960 55.765 54.840 -0.058 0.000 0.755 89 L CB -1.772 40.260 42.059 -0.046 0.000 0.904 89 L HN 0.289 nan 8.230 nan 0.000 0.435 90 P HA -0.058 nan 4.420 nan 0.000 0.222 90 P C 1.783 179.030 177.300 -0.087 0.000 1.153 90 P CA 1.108 64.170 63.100 -0.064 0.000 0.798 90 P CB 0.085 31.751 31.700 -0.057 0.000 0.796 91 I N -1.318 119.175 120.570 -0.129 0.000 2.252 91 I HA -0.207 3.962 4.170 -0.000 0.000 0.245 91 I C 2.285 178.297 176.117 -0.176 0.000 1.102 91 I CA 1.201 62.369 61.300 -0.219 0.000 1.385 91 I CB -0.706 37.066 38.000 -0.381 0.000 1.064 91 I HN -0.098 nan 8.210 nan 0.000 0.414 92 L N 0.458 121.605 121.223 -0.127 0.000 1.970 92 L HA -0.270 4.070 4.340 -0.000 0.000 0.212 92 L C 2.383 179.221 176.870 -0.054 0.000 1.071 92 L CA 1.626 56.413 54.840 -0.088 0.000 0.751 92 L CB -0.628 41.385 42.059 -0.076 0.000 0.889 92 L HN 0.243 nan 8.230 nan 0.000 0.432 93 D N -0.280 120.092 120.400 -0.048 0.000 2.149 93 D HA -0.179 4.460 4.640 -0.000 0.000 0.198 93 D C 2.072 178.366 176.300 -0.009 0.000 0.990 93 D CA 1.397 55.381 54.000 -0.027 0.000 0.839 93 D CB 0.132 40.914 40.800 -0.030 0.000 0.948 93 D HN 0.311 nan 8.370 nan 0.000 0.460 94 A N -0.276 122.533 122.820 -0.019 0.000 1.968 94 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 94 A C 2.299 179.914 177.584 0.051 0.000 1.169 94 A CA 0.944 52.984 52.037 0.005 0.000 0.638 94 A CB -0.432 18.558 19.000 -0.016 0.000 0.812 94 A HN 0.239 nan 8.150 nan 0.000 0.446 95 M N -1.290 118.333 119.600 0.037 0.000 2.229 95 M HA -0.068 4.412 4.480 -0.000 0.000 0.264 95 M C 2.105 178.524 176.300 0.198 0.000 1.063 95 M CA 1.088 56.450 55.300 0.104 0.000 1.114 95 M CB -0.238 32.370 32.600 0.014 0.000 1.387 95 M HN 0.477 nan 8.290 nan 0.000 0.420 96 L N 0.179 121.466 121.223 0.107 0.000 2.072 96 L HA -0.093 4.247 4.340 -0.000 0.000 0.205 96 L C 2.530 179.452 176.870 0.088 0.000 1.079 96 L CA 1.976 56.871 54.840 0.092 0.000 0.752 96 L CB -0.597 41.481 42.059 0.031 0.000 0.906 96 L HN 0.286 nan 8.230 nan 0.000 0.436 97 S N -1.386 114.357 115.700 0.071 0.000 2.515 97 S HA -0.110 4.360 4.470 -0.000 0.000 0.231 97 S C 1.973 176.625 174.600 0.087 0.000 0.987 97 S CA 0.450 58.682 58.200 0.054 0.000 0.936 97 S CB -0.595 62.622 63.200 0.029 0.000 0.766 97 S HN 0.476 nan 8.310 nan 0.000 0.528 98 R N 0.653 121.254 120.500 0.168 0.000 2.313 98 R HA 0.202 4.542 4.340 -0.000 0.000 0.199 98 R C 1.641 178.061 176.300 0.200 0.000 0.958 98 R CA 0.547 56.787 56.100 0.234 0.000 1.047 98 R CB -0.122 30.416 30.300 0.396 0.000 0.955 98 R HN 0.641 nan 8.270 nan 0.000 0.481 99 G N 0.054 108.939 108.800 0.142 0.000 2.238 99 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 99 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 99 G C 0.005 174.860 174.900 -0.075 0.000 0.996 99 G CA -0.617 44.488 45.100 0.008 0.000 0.632 99 G HN 0.183 nan 8.290 nan 0.000 0.503 100 F N 2.808 122.894 119.950 0.226 0.000 2.494 100 F HA 0.408 4.935 4.527 -0.000 0.000 0.369 100 F C 1.966 177.785 175.800 0.032 0.000 1.098 100 F CA 0.907 59.005 58.000 0.163 0.000 1.154 100 F CB 1.202 40.290 39.000 0.146 0.000 1.103 100 F HN 0.107 nan 8.300 nan 0.000 0.549 101 T N -2.156 112.457 114.554 0.099 0.000 3.065 101 T HA 0.186 4.536 4.350 -0.000 0.000 0.252 101 T C 0.481 175.186 174.700 0.009 0.000 1.099 101 T CA -0.015 62.096 62.100 0.018 0.000 1.063 101 T CB 0.060 68.896 68.868 -0.053 0.000 0.948 101 T HN 0.330 nan 8.240 nan 0.000 0.506 102 S N 0.705 116.442 115.700 0.061 0.000 2.546 102 S HA 0.650 5.120 4.470 -0.000 0.000 0.272 102 S C -0.981 173.649 174.600 0.049 0.000 1.140 102 S CA -0.887 57.302 58.200 -0.018 0.000 0.920 102 S CB 2.298 65.492 63.200 -0.009 0.000 1.083 102 S HN 0.571 nan 8.310 nan 0.000 0.476 103 V N 0.703 120.591 119.914 -0.045 0.000 2.656 103 V HA 0.702 4.822 4.120 -0.000 0.000 0.307 103 V C -0.441 175.675 176.094 0.037 0.000 1.051 103 V CA -1.128 61.180 62.300 0.013 0.000 0.893 103 V CB 1.720 33.528 31.823 -0.026 0.000 0.999 103 V HN 0.888 nan 8.190 nan 0.000 0.426 104 R N 2.342 122.910 120.500 0.113 0.000 2.230 104 R HA 0.351 4.691 4.340 -0.000 0.000 0.337 104 R C -0.459 175.835 176.300 -0.010 0.000 1.063 104 R CA -0.316 55.866 56.100 0.136 0.000 0.935 104 R CB 0.411 30.809 30.300 0.164 0.000 1.121 104 R HN 1.014 nan 8.270 nan 0.000 0.486 105 D N 2.558 122.943 120.400 -0.024 0.000 2.389 105 D HA 0.091 4.731 4.640 -0.000 0.000 0.247 105 D C 0.216 176.419 176.300 -0.162 0.000 1.128 105 D CA 0.230 54.170 54.000 -0.101 0.000 0.884 105 D CB 1.228 42.008 40.800 -0.033 0.000 1.194 105 D HN 0.604 nan 8.370 nan 0.000 0.441 106 A N 3.180 125.791 122.820 -0.349 0.000 2.545 106 A HA 0.601 4.921 4.320 -0.000 0.000 0.277 106 A C 0.554 178.155 177.584 0.027 0.000 1.301 106 A CA 0.295 52.118 52.037 -0.355 0.000 0.935 106 A CB -0.508 17.912 19.000 -0.966 0.000 1.093 106 A HN 0.770 nan 8.150 nan 0.000 0.519 107 G N -2.589 106.270 108.800 0.099 0.000 2.760 107 G HA2 0.502 4.462 3.960 -0.000 0.000 0.540 107 G HA3 0.502 4.462 3.960 -0.000 0.000 0.540 107 G C 0.494 175.523 174.900 0.215 0.000 1.476 107 G CA 0.304 45.510 45.100 0.177 0.000 0.949 107 G HN 1.931 nan 8.290 nan 0.000 0.633 108 G N 0.431 109.306 108.800 0.124 0.000 2.981 108 G HA2 0.387 4.346 3.960 -0.000 0.000 0.198 108 G HA3 0.387 4.346 3.960 -0.000 0.000 0.198 108 G C 1.152 176.100 174.900 0.079 0.000 1.806 108 G CA 1.300 46.464 45.100 0.105 0.000 1.374 108 G HN 2.575 nan 8.290 nan 0.000 0.555 109 A N 1.579 124.443 122.820 0.073 0.000 2.445 109 A HA 0.556 4.876 4.320 -0.000 0.000 0.242 109 A C 0.454 178.075 177.584 0.063 0.000 1.075 109 A CA 1.303 53.371 52.037 0.051 0.000 0.777 109 A CB 0.072 19.089 19.000 0.027 0.000 1.013 109 A HN 1.127 nan 8.150 nan 0.000 0.493 110 D N -0.039 120.404 120.400 0.072 0.000 2.712 110 D HA 0.180 4.820 4.640 -0.000 0.000 0.252 110 D C 0.596 176.989 176.300 0.156 0.000 1.123 110 D CA -0.703 53.369 54.000 0.121 0.000 1.109 110 D CB -0.333 40.549 40.800 0.136 0.000 1.313 110 D HN 0.530 nan 8.370 nan 0.000 0.629 111 W N 0.412 121.719 121.300 0.013 0.000 2.425 111 W HA -0.074 4.586 4.660 -0.001 0.000 0.277 111 W C 1.757 178.280 176.519 0.008 0.000 1.231 111 W CA 2.035 59.388 57.345 0.013 0.000 1.248 111 W CB -0.156 29.313 29.460 0.015 0.000 1.117 111 W HN 0.305 nan 8.180 nan 0.000 0.568 112 S N 0.608 116.346 115.700 0.064 0.000 2.387 112 S HA -0.176 4.293 4.470 -0.000 0.000 0.226 112 S C 1.899 176.398 174.600 -0.168 0.000 1.026 112 S CA 1.279 59.413 58.200 -0.110 0.000 0.972 112 S CB -0.765 62.466 63.200 0.052 0.000 0.814 112 S HN 0.312 nan 8.310 nan 0.000 0.477 113 L N 0.882 122.049 121.223 -0.093 0.000 2.093 113 L HA -0.012 4.328 4.340 -0.000 0.000 0.208 113 L C 2.650 179.429 176.870 -0.152 0.000 1.085 113 L CA 1.189 55.969 54.840 -0.099 0.000 0.755 113 L CB -0.334 41.694 42.059 -0.053 0.000 0.904 113 L HN 0.389 nan 8.230 nan 0.000 0.435 114 M N -1.116 118.376 119.600 -0.181 0.000 2.159 114 M HA -0.238 4.242 4.480 -0.000 0.000 0.263 114 M C 2.299 178.408 176.300 -0.318 0.000 1.063 114 M CA 1.603 56.769 55.300 -0.223 0.000 1.110 114 M CB -0.041 32.454 32.600 -0.174 0.000 1.374 114 M HN 0.249 nan 8.290 nan 0.000 0.411 115 Q N 0.081 119.588 119.800 -0.490 0.000 2.050 115 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 115 Q C 2.156 177.981 176.000 -0.293 0.000 0.980 115 Q CA 1.879 57.370 55.803 -0.520 0.000 0.840 115 Q CB -0.543 27.735 28.738 -0.766 0.000 0.898 115 Q HN 0.692 nan 8.270 nan 0.000 0.424 116 A N 0.809 123.490 122.820 -0.232 0.000 1.883 116 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 116 A C 2.270 179.777 177.584 -0.129 0.000 1.186 116 A CA 2.318 54.264 52.037 -0.151 0.000 0.624 116 A CB -0.987 17.942 19.000 -0.119 0.000 0.822 116 A HN 0.327 nan 8.150 nan 0.000 0.444 117 V N -2.694 117.138 119.914 -0.136 0.000 2.667 117 V HA -0.100 4.020 4.120 -0.000 0.000 0.252 117 V C 1.664 177.691 176.094 -0.112 0.000 1.065 117 V CA 2.271 64.502 62.300 -0.116 0.000 1.083 117 V CB -0.707 31.043 31.823 -0.121 0.000 0.692 117 V HN 0.586 nan 8.190 nan 0.000 0.468 118 E N 0.897 121.018 120.200 -0.133 0.000 2.400 118 E HA -0.011 4.339 4.350 -0.000 0.000 0.195 118 E C 2.196 178.741 176.600 -0.092 0.000 1.012 118 E CA 0.998 57.332 56.400 -0.110 0.000 0.875 118 E CB 0.136 29.766 29.700 -0.116 0.000 0.859 118 E HN 0.897 nan 8.360 nan 0.000 0.498 119 T N -2.809 111.682 114.554 -0.104 0.000 3.014 119 T HA 0.120 4.470 4.350 -0.000 0.000 0.263 119 T C 1.690 176.352 174.700 -0.062 0.000 1.078 119 T CA 0.634 62.687 62.100 -0.078 0.000 1.135 119 T CB 0.346 69.163 68.868 -0.085 0.000 0.895 119 T HN 0.233 nan 8.240 nan 0.000 0.480 120 G N 0.750 109.509 108.800 -0.069 0.000 2.176 120 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.232 120 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.232 120 G C 0.535 175.404 174.900 -0.052 0.000 0.986 120 G CA 0.195 45.262 45.100 -0.055 0.000 0.643 120 G HN 0.469 nan 8.290 nan 0.000 0.522 121 L N 0.087 121.274 121.223 -0.060 0.000 2.362 121 L HA 0.457 4.797 4.340 -0.000 0.000 0.219 121 L C 0.980 177.819 176.870 -0.052 0.000 1.134 121 L CA 1.338 56.146 54.840 -0.054 0.000 0.807 121 L CB 0.251 42.273 42.059 -0.061 0.000 0.927 121 L HN 0.248 nan 8.230 nan 0.000 0.447 122 V N -1.479 118.400 119.914 -0.059 0.000 2.808 122 V HA 0.309 4.429 4.120 -0.000 0.000 0.308 122 V C -0.402 175.659 176.094 -0.055 0.000 1.099 122 V CA -0.767 61.500 62.300 -0.055 0.000 0.920 122 V CB 2.087 33.873 31.823 -0.062 0.000 1.014 122 V HN 0.004 nan 8.190 nan 0.000 0.425 123 S N 2.759 118.431 115.700 -0.046 0.000 2.523 123 S HA 0.832 5.302 4.470 -0.000 0.000 0.275 123 S C 0.125 174.697 174.600 -0.045 0.000 1.281 123 S CA 0.585 58.760 58.200 -0.042 0.000 1.050 123 S CB 0.575 63.756 63.200 -0.031 0.000 0.937 123 S HN 1.520 nan 8.310 nan 0.000 0.492 124 G N 4.362 113.134 108.800 -0.046 0.000 2.313 124 G HA2 0.374 4.333 3.960 -0.000 0.000 0.296 124 G HA3 0.374 4.333 3.960 -0.000 0.000 0.296 124 G C -3.518 171.352 174.900 -0.050 0.000 1.356 124 G CA -0.833 44.240 45.100 -0.046 0.000 0.833 124 G HN 0.522 nan 8.290 nan 0.000 0.552 125 P HA 0.347 nan 4.420 nan 0.000 0.275 125 P C -0.452 176.773 177.300 -0.125 0.000 1.266 125 P CA -0.491 62.576 63.100 -0.054 0.000 0.793 125 P CB 0.787 32.481 31.700 -0.009 0.000 1.074 126 R N 0.817 121.207 120.500 -0.183 0.000 2.316 126 R HA 0.296 4.636 4.340 -0.000 0.000 0.314 126 R C -0.227 175.790 176.300 -0.471 0.000 1.069 126 R CA -0.136 55.767 56.100 -0.329 0.000 0.959 126 R CB -0.825 29.240 30.300 -0.392 0.000 0.987 126 R HN 0.367 nan 8.270 nan 0.000 0.446 127 I N 5.557 125.890 120.570 -0.396 0.000 2.365 127 I HA 0.182 4.352 4.170 -0.000 0.000 0.291 127 I C -0.405 175.499 176.117 -0.355 0.000 1.004 127 I CA -0.260 60.857 61.300 -0.304 0.000 1.311 127 I CB 0.995 38.906 38.000 -0.149 0.000 1.401 127 I HN 0.541 nan 8.210 nan 0.000 0.491 128 F N 7.244 127.193 119.950 -0.001 0.000 2.291 128 F HA 0.355 4.882 4.527 -0.000 0.000 0.368 128 F C -2.124 173.668 175.800 -0.013 0.000 1.085 128 F CA -2.342 55.660 58.000 0.003 0.000 1.165 128 F CB 0.685 39.694 39.000 0.016 0.000 1.429 128 F HN 0.227 nan 8.300 nan 0.000 0.503 129 P HA 0.154 nan 4.420 nan 0.000 0.274 129 P C 0.019 177.353 177.300 0.057 0.000 1.231 129 P CA -0.157 62.996 63.100 0.088 0.000 0.790 129 P CB 1.395 33.155 31.700 0.100 0.000 0.951 130 S N -0.012 115.705 115.700 0.028 0.000 2.559 130 S HA 0.344 4.814 4.470 -0.000 0.000 0.226 130 S C 1.145 175.754 174.600 0.016 0.000 1.000 130 S CA 0.333 58.532 58.200 -0.000 0.000 0.948 130 S CB -0.344 62.846 63.200 -0.015 0.000 0.870 130 S HN 0.858 nan 8.310 nan 0.000 0.497 131 G N 2.685 111.509 108.800 0.040 0.000 2.557 131 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.292 131 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.292 131 G C -0.549 174.376 174.900 0.041 0.000 1.162 131 G CA 0.099 45.225 45.100 0.043 0.000 0.964 131 G HN 0.355 nan 8.290 nan 0.000 0.541 132 K N 1.438 121.854 120.400 0.026 0.000 2.164 132 K HA 0.747 5.067 4.320 -0.000 0.000 0.258 132 K C 0.481 177.099 176.600 0.030 0.000 0.951 132 K CA 0.054 56.358 56.287 0.028 0.000 0.844 132 K CB 1.638 34.141 32.500 0.006 0.000 1.099 132 K HN 1.129 nan 8.250 nan 0.000 0.435 133 A N 3.225 126.073 122.820 0.046 0.000 2.462 133 A HA 0.294 4.614 4.320 -0.000 0.000 0.243 133 A C 0.061 177.675 177.584 0.050 0.000 1.076 133 A CA -0.299 51.772 52.037 0.057 0.000 0.773 133 A CB -0.063 18.983 19.000 0.078 0.000 1.010 133 A HN 0.632 nan 8.150 nan 0.000 0.493 134 L N 2.234 123.511 121.223 0.090 0.000 2.276 134 L HA 0.485 4.824 4.340 -0.000 0.000 0.286 134 L C 0.616 177.633 176.870 0.245 0.000 1.061 134 L CA -0.124 54.803 54.840 0.145 0.000 0.807 134 L CB 1.318 43.453 42.059 0.127 0.000 1.177 134 L HN 0.723 nan 8.230 nan 0.000 0.429 135 S N 2.152 117.934 115.700 0.136 0.000 2.568 135 S HA 0.492 4.962 4.470 -0.000 0.000 0.293 135 S C -0.652 173.818 174.600 -0.217 0.000 1.089 135 S CA -0.798 57.365 58.200 -0.061 0.000 0.945 135 S CB 1.880 64.991 63.200 -0.149 0.000 1.077 135 S HN 0.646 nan 8.310 nan 0.000 0.485 136 Q N 1.378 120.816 119.800 -0.603 0.000 2.318 136 Q HA 0.487 4.827 4.340 -0.000 0.000 0.222 136 Q C -0.493 175.366 176.000 -0.236 0.000 1.003 136 Q CA -0.613 54.894 55.803 -0.494 0.000 0.936 136 Q CB -0.137 28.201 28.738 -0.666 0.000 1.204 136 Q HN 0.462 nan 8.270 nan 0.000 0.524 137 T N 1.099 115.564 114.554 -0.148 0.000 2.817 137 T HA 0.353 4.703 4.350 -0.000 0.000 0.295 137 T C 0.935 175.577 174.700 -0.097 0.000 0.958 137 T CA 0.919 62.960 62.100 -0.099 0.000 1.157 137 T CB -0.169 68.665 68.868 -0.057 0.000 0.898 137 T HN 0.953 nan 8.240 nan 0.000 0.536 138 G N 2.952 111.697 108.800 -0.092 0.000 2.143 138 G HA2 -0.170 3.789 3.960 -0.000 0.000 0.249 138 G HA3 -0.170 3.789 3.960 -0.000 0.000 0.249 138 G C 0.544 175.397 174.900 -0.078 0.000 0.981 138 G CA -0.099 44.959 45.100 -0.071 0.000 0.665 138 G HN 1.094 nan 8.290 nan 0.000 0.528 139 G N -1.509 107.217 108.800 -0.124 0.000 2.508 139 G HA2 0.435 4.395 3.960 -0.000 0.000 0.278 139 G HA3 0.435 4.395 3.960 -0.000 0.000 0.278 139 G C 0.642 175.502 174.900 -0.067 0.000 1.389 139 G CA 0.567 45.602 45.100 -0.108 0.000 1.050 139 G HN 0.484 nan 8.290 nan 0.000 0.522 140 H N -0.963 118.029 119.070 -0.130 0.000 2.462 140 H HA 0.042 4.598 4.556 -0.000 0.000 0.292 140 H C 2.420 177.592 175.328 -0.260 0.000 1.049 140 H CA 1.808 57.784 56.048 -0.120 0.000 1.334 140 H CB -0.135 29.584 29.762 -0.071 0.000 1.404 140 H HN 0.419 nan 8.280 nan 0.000 0.544 141 G N -0.892 107.675 108.800 -0.388 0.000 2.880 141 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.209 141 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.209 141 G C 0.097 174.379 174.900 -1.031 0.000 1.157 141 G CA 0.009 44.711 45.100 -0.663 0.000 0.779 141 G HN 0.295 nan 8.290 nan 0.000 0.539 142 D N 0.076 120.074 120.400 -0.670 0.000 2.317 142 D HA 0.233 4.873 4.640 -0.000 0.000 0.252 142 D C -0.143 175.846 176.300 -0.519 0.000 1.174 142 D CA -0.595 53.095 54.000 -0.516 0.000 0.866 142 D CB 0.709 41.362 40.800 -0.246 0.000 1.127 142 D HN 0.051 nan 8.370 nan 0.000 0.467 143 F N 2.074 121.989 119.950 -0.058 0.000 2.639 143 F HA 0.267 4.794 4.527 -0.000 0.000 0.302 143 F C 1.259 177.041 175.800 -0.030 0.000 1.097 143 F CA -0.483 57.486 58.000 -0.051 0.000 1.294 143 F CB -0.037 38.928 39.000 -0.057 0.000 1.027 143 F HN -0.007 nan 8.300 nan 0.000 0.550 144 R N 2.620 123.169 120.500 0.081 0.000 2.537 144 R HA 0.171 4.510 4.340 -0.000 0.000 0.280 144 R C -2.083 174.247 176.300 0.049 0.000 1.058 144 R CA -1.403 54.731 56.100 0.056 0.000 1.057 144 R CB -0.091 30.220 30.300 0.019 0.000 0.973 144 R HN -0.035 nan 8.270 nan 0.000 0.438 145 P HA 0.019 nan 4.420 nan 0.000 0.274 145 P C -0.164 177.150 177.300 0.024 0.000 1.260 145 P CA -0.231 62.890 63.100 0.035 0.000 0.793 145 P CB 0.647 32.365 31.700 0.030 0.000 1.048 146 R N 0.146 120.659 120.500 0.021 0.000 2.237 146 R HA -0.032 4.307 4.340 -0.000 0.000 0.219 146 R C 2.189 178.496 176.300 0.011 0.000 1.080 146 R CA 1.546 57.655 56.100 0.014 0.000 0.995 146 R CB -1.065 29.244 30.300 0.014 0.000 0.875 146 R HN 0.687 nan 8.270 nan 0.000 0.462 147 G N -0.104 108.704 108.800 0.013 0.000 2.604 147 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.216 147 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.216 147 G C 0.003 174.909 174.900 0.010 0.000 1.265 147 G CA 0.987 46.094 45.100 0.011 0.000 0.804 147 G HN 0.329 nan 8.290 nan 0.000 0.579 148 D N -1.974 118.432 120.400 0.011 0.000 2.596 148 D HA 0.516 5.156 4.640 -0.000 0.000 0.262 148 D C -1.027 175.278 176.300 0.009 0.000 1.210 148 D CA -0.492 53.514 54.000 0.009 0.000 0.873 148 D CB 1.725 42.531 40.800 0.009 0.000 1.408 148 D HN 0.013 nan 8.370 nan 0.000 0.441 149 L N 1.705 122.933 121.223 0.007 0.000 2.433 149 L HA 0.429 4.769 4.340 -0.000 0.000 0.256 149 L C -0.380 176.495 176.870 0.008 0.000 1.063 149 L CA -0.317 54.526 54.840 0.006 0.000 0.922 149 L CB 1.092 43.151 42.059 -0.000 0.000 1.238 149 L HN 0.094 nan 8.230 nan 0.000 0.466 150 L N 1.505 122.736 121.223 0.012 0.000 2.399 150 L HA 0.352 4.692 4.340 -0.000 0.000 0.265 150 L C 0.519 177.399 176.870 0.016 0.000 1.089 150 L CA -0.643 54.205 54.840 0.014 0.000 0.802 150 L CB 1.627 43.696 42.059 0.017 0.000 1.180 150 L HN 0.512 nan 8.230 nan 0.000 0.454 151 E N 3.143 123.354 120.200 0.018 0.000 2.406 151 E HA 0.051 4.401 4.350 -0.000 0.000 0.258 151 E C -2.029 174.587 176.600 0.026 0.000 1.043 151 E CA -1.101 55.310 56.400 0.019 0.000 0.929 151 E CB 0.165 29.878 29.700 0.022 0.000 0.969 151 E HN 0.243 nan 8.360 nan 0.000 0.462 152 P HA 0.084 nan 4.420 nan 0.000 0.219 152 P C 0.414 177.718 177.300 0.007 0.000 1.847 152 P CA -0.309 62.804 63.100 0.022 0.000 1.059 152 P CB -0.298 31.408 31.700 0.011 0.000 1.900 153 C N 0.069 119.389 119.300 0.033 0.000 2.472 153 C HA -0.030 4.430 4.460 -0.000 0.000 0.278 153 C C 2.223 177.187 174.990 -0.043 0.000 1.447 153 C CA 0.643 59.666 59.018 0.008 0.000 1.773 153 C CB -1.694 26.104 27.740 0.096 0.000 1.793 153 C HN 0.445 nan 8.230 nan 0.000 0.544 154 S N -0.360 115.399 115.700 0.099 0.000 2.555 154 S HA -0.094 4.376 4.470 -0.000 0.000 0.230 154 S C 1.515 176.110 174.600 -0.009 0.000 0.978 154 S CA 1.164 59.478 58.200 0.189 0.000 0.934 154 S CB -1.389 61.945 63.200 0.223 0.000 0.766 154 S HN 0.775 nan 8.310 nan 0.000 0.533 155 C N 0.585 119.835 119.300 -0.083 0.000 2.410 155 C HA -0.052 4.408 4.460 -0.000 0.000 0.281 155 C C 2.871 177.786 174.990 -0.125 0.000 1.318 155 C CA 0.462 59.435 59.018 -0.075 0.000 1.776 155 C CB -1.851 25.846 27.740 -0.072 0.000 1.942 155 C HN 0.775 nan 8.230 nan 0.000 0.508 156 C N -0.596 118.523 119.300 -0.301 0.000 2.507 156 C HA 0.095 4.555 4.460 -0.000 0.000 0.280 156 C C 2.319 177.194 174.990 -0.192 0.000 1.345 156 C CA 0.435 59.269 59.018 -0.308 0.000 1.736 156 C CB -1.255 26.203 27.740 -0.471 0.000 2.060 156 C HN 0.642 nan 8.230 nan 0.000 0.498 157 F N 0.712 120.677 119.950 0.025 0.000 2.259 157 F HA 0.037 4.565 4.527 0.000 0.000 0.298 157 F C 1.317 177.133 175.800 0.027 0.000 1.088 157 F CA 0.296 58.311 58.000 0.024 0.000 1.358 157 F CB -0.216 38.796 39.000 0.020 0.000 1.040 157 F HN -0.070 nan 8.300 nan 0.000 0.505 158 R N 1.694 122.299 120.500 0.175 0.000 2.343 158 R HA 0.059 4.399 4.340 -0.000 0.000 0.326 158 R C 0.923 177.274 176.300 0.083 0.000 1.055 158 R CA 0.135 56.303 56.100 0.114 0.000 0.961 158 R CB -0.545 29.809 30.300 0.091 0.000 0.978 158 R HN 0.188 nan 8.270 nan 0.000 0.443 159 T N -1.395 113.206 114.554 0.079 0.000 3.160 159 T HA 0.002 4.352 4.350 -0.000 0.000 0.257 159 T C 1.610 176.341 174.700 0.052 0.000 1.147 159 T CA 0.632 62.771 62.100 0.065 0.000 1.064 159 T CB 0.297 69.203 68.868 0.063 0.000 0.949 159 T HN 0.577 nan 8.240 nan 0.000 0.526 160 G N 0.875 109.704 108.800 0.047 0.000 2.777 160 G HA2 0.455 4.415 3.960 -0.000 0.000 0.211 160 G HA3 0.455 4.415 3.960 -0.000 0.000 0.211 160 G C 0.617 175.540 174.900 0.039 0.000 1.149 160 G CA -0.021 45.098 45.100 0.032 0.000 0.785 160 G HN 0.747 nan 8.290 nan 0.000 0.536 161 A N 0.882 123.740 122.820 0.063 0.000 2.450 161 A HA 0.506 4.826 4.320 -0.000 0.000 0.255 161 A C 1.337 178.979 177.584 0.097 0.000 1.096 161 A CA -0.429 51.667 52.037 0.099 0.000 0.778 161 A CB 0.405 19.461 19.000 0.093 0.000 1.031 161 A HN 0.070 nan 8.150 nan 0.000 0.494 162 I N 1.180 121.831 120.570 0.134 0.000 2.353 162 I HA -0.039 4.131 4.170 -0.000 0.000 0.248 162 I C 1.515 177.681 176.117 0.082 0.000 1.119 162 I CA 1.841 63.200 61.300 0.099 0.000 1.417 162 I CB -1.556 36.468 38.000 0.040 0.000 1.078 162 I HN 0.678 nan 8.210 nan 0.000 0.421 163 A N 1.258 124.115 122.820 0.063 0.000 2.414 163 A HA 0.830 5.150 4.320 -0.000 0.000 0.278 163 A C -0.114 177.448 177.584 -0.035 0.000 1.228 163 A CA -0.563 51.463 52.037 -0.017 0.000 0.857 163 A CB 1.636 20.562 19.000 -0.124 0.000 1.389 163 A HN 0.308 nan 8.150 nan 0.000 0.452 164 R N -1.038 119.430 120.500 -0.054 0.000 2.668 164 R HA 0.641 4.981 4.340 -0.000 0.000 0.272 164 R C -2.137 174.128 176.300 -0.058 0.000 1.019 164 R CA -0.722 55.340 56.100 -0.063 0.000 0.894 164 R CB 1.374 31.639 30.300 -0.058 0.000 1.228 164 R HN 0.334 nan 8.270 nan 0.000 0.460 165 V N 2.866 122.740 119.914 -0.067 0.000 2.368 165 V HA 0.370 4.490 4.120 -0.000 0.000 0.266 165 V C -0.077 176.011 176.094 -0.011 0.000 1.045 165 V CA -0.427 61.840 62.300 -0.055 0.000 0.899 165 V CB 0.984 32.759 31.823 -0.081 0.000 1.006 165 V HN 0.587 nan 8.190 nan 0.000 0.470 166 V N 1.859 121.802 119.914 0.049 0.000 2.709 166 V HA 0.790 4.910 4.120 -0.000 0.000 0.308 166 V C -1.014 175.177 176.094 0.161 0.000 1.062 166 V CA -0.853 61.495 62.300 0.079 0.000 0.901 166 V CB 2.036 33.900 31.823 0.069 0.000 1.003 166 V HN 0.749 nan 8.190 nan 0.000 0.425 167 D N 1.459 121.925 120.400 0.109 0.000 2.477 167 D HA 0.855 5.495 4.640 -0.000 0.000 0.234 167 D C 0.176 176.531 176.300 0.091 0.000 1.048 167 D CA 0.446 54.529 54.000 0.138 0.000 0.959 167 D CB 1.827 42.668 40.800 0.069 0.000 1.408 167 D HN 1.424 nan 8.370 nan 0.000 0.496 168 G N -1.145 107.711 108.800 0.092 0.000 2.692 168 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.686 168 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.686 168 G C 0.495 175.411 174.900 0.027 0.000 1.243 168 G CA -0.450 44.679 45.100 0.049 0.000 0.782 168 G HN 0.410 nan 8.290 nan 0.000 0.625 169 V N 1.280 121.201 119.914 0.011 0.000 2.307 169 V HA -0.104 4.016 4.120 -0.000 0.000 0.245 169 V C 2.575 178.658 176.094 -0.019 0.000 1.045 169 V CA 2.645 64.938 62.300 -0.012 0.000 1.024 169 V CB -0.423 31.395 31.823 -0.008 0.000 0.651 169 V HN 0.784 nan 8.190 nan 0.000 0.449 170 E N 0.608 120.803 120.200 -0.009 0.000 2.274 170 E HA -0.063 4.287 4.350 -0.000 0.000 0.194 170 E C 2.284 178.878 176.600 -0.011 0.000 0.996 170 E CA 1.145 57.539 56.400 -0.011 0.000 0.840 170 E CB -0.416 29.280 29.700 -0.006 0.000 0.772 170 E HN 0.625 nan 8.360 nan 0.000 0.491 171 G N 1.709 110.507 108.800 -0.003 0.000 2.408 171 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.217 171 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.217 171 G C 1.789 176.684 174.900 -0.008 0.000 1.150 171 G CA 1.165 46.266 45.100 0.001 0.000 0.776 171 G HN 0.305 nan 8.290 nan 0.000 0.542 172 V N -2.275 117.625 119.914 -0.023 0.000 3.235 172 V HA 0.286 4.406 4.120 -0.000 0.000 0.259 172 V C 2.313 178.367 176.094 -0.067 0.000 1.133 172 V CA 1.166 63.430 62.300 -0.060 0.000 1.128 172 V CB -0.216 31.516 31.823 -0.150 0.000 0.757 172 V HN 0.246 nan 8.190 nan 0.000 0.469 173 R N -0.292 120.177 120.500 -0.052 0.000 2.073 173 R HA 0.019 4.359 4.340 -0.000 0.000 0.229 173 R C 2.236 178.514 176.300 -0.037 0.000 1.120 173 R CA 1.617 57.690 56.100 -0.045 0.000 0.967 173 R CB -0.299 29.980 30.300 -0.035 0.000 0.862 173 R HN 0.540 nan 8.270 nan 0.000 0.436 174 L N 0.812 122.018 121.223 -0.030 0.000 2.017 174 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 174 L C 2.209 179.060 176.870 -0.031 0.000 1.073 174 L CA 2.155 56.979 54.840 -0.026 0.000 0.745 174 L CB -0.819 41.228 42.059 -0.019 0.000 0.894 174 L HN 0.148 nan 8.230 nan 0.000 0.432 175 A N -1.027 121.774 122.820 -0.032 0.000 1.908 175 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 175 A C 2.290 179.851 177.584 -0.038 0.000 1.181 175 A CA 2.198 54.215 52.037 -0.034 0.000 0.627 175 A CB -1.189 17.796 19.000 -0.026 0.000 0.818 175 A HN 0.336 nan 8.150 nan 0.000 0.445 176 V N -0.166 119.721 119.914 -0.045 0.000 2.295 176 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 176 V C 2.624 178.692 176.094 -0.044 0.000 1.049 176 V CA 2.311 64.583 62.300 -0.048 0.000 1.024 176 V CB -0.799 30.991 31.823 -0.055 0.000 0.648 176 V HN 0.546 nan 8.190 nan 0.000 0.447 177 R N -0.252 120.224 120.500 -0.040 0.000 2.127 177 R HA -0.181 4.158 4.340 -0.000 0.000 0.238 177 R C 2.267 178.542 176.300 -0.041 0.000 1.134 177 R CA 1.656 57.733 56.100 -0.039 0.000 0.975 177 R CB -0.258 30.022 30.300 -0.033 0.000 0.865 177 R HN 0.650 nan 8.270 nan 0.000 0.447 178 E N 0.270 120.447 120.200 -0.038 0.000 2.028 178 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 178 E C 1.917 178.493 176.600 -0.041 0.000 0.988 178 E CA 0.797 57.174 56.400 -0.039 0.000 0.799 178 E CB 0.066 29.744 29.700 -0.037 0.000 0.755 178 E HN 0.235 nan 8.360 nan 0.000 0.447 179 E N 0.585 120.762 120.200 -0.038 0.000 2.153 179 E HA -0.155 4.194 4.350 -0.000 0.000 0.194 179 E C 2.101 178.680 176.600 -0.035 0.000 0.988 179 E CA 0.708 57.089 56.400 -0.030 0.000 0.811 179 E CB -0.099 29.584 29.700 -0.027 0.000 0.746 179 E HN 0.318 nan 8.360 nan 0.000 0.466 180 I N 1.196 121.739 120.570 -0.045 0.000 2.439 180 I HA -0.283 3.887 4.170 -0.000 0.000 0.251 180 I C 2.545 178.619 176.117 -0.071 0.000 1.139 180 I CA 1.060 62.329 61.300 -0.051 0.000 1.438 180 I CB 0.058 38.028 38.000 -0.049 0.000 1.085 180 I HN 0.054 nan 8.210 nan 0.000 0.427 181 Q N 0.827 120.581 119.800 -0.077 0.000 2.311 181 Q HA -0.140 4.199 4.340 -0.000 0.000 0.203 181 Q C 1.800 177.708 176.000 -0.154 0.000 0.954 181 Q CA 1.376 57.114 55.803 -0.107 0.000 0.885 181 Q CB -0.312 28.375 28.738 -0.084 0.000 0.963 181 Q HN 0.270 nan 8.270 nan 0.000 0.471 182 K N -0.336 119.997 120.400 -0.112 0.000 2.097 182 K HA 0.062 4.382 4.320 -0.000 0.000 0.205 182 K C 0.959 177.465 176.600 -0.157 0.000 1.050 182 K CA 1.114 57.335 56.287 -0.110 0.000 0.938 182 K CB -0.040 32.446 32.500 -0.023 0.000 0.718 182 K HN 0.486 nan 8.250 nan 0.000 0.442 183 G N -0.334 108.409 108.800 -0.094 0.000 2.370 183 G HA2 -0.092 3.867 3.960 -0.000 0.000 0.174 183 G HA3 -0.092 3.867 3.960 -0.000 0.000 0.174 183 G C -0.046 174.909 174.900 0.093 0.000 1.002 183 G CA -0.260 44.805 45.100 -0.058 0.000 0.730 183 G HN 0.390 nan 8.290 nan 0.000 0.497 184 A N 1.158 124.013 122.820 0.059 0.000 2.567 184 A HA 0.483 4.803 4.320 -0.000 0.000 0.240 184 A C 1.773 179.370 177.584 0.022 0.000 1.053 184 A CA 1.718 53.786 52.037 0.052 0.000 0.755 184 A CB 0.122 19.127 19.000 0.008 0.000 0.978 184 A HN 1.377 nan 8.150 nan 0.000 0.507 185 T N -0.287 114.290 114.554 0.038 0.000 3.023 185 T HA 0.112 4.461 4.350 -0.000 0.000 0.266 185 T C 0.645 175.245 174.700 -0.166 0.000 1.093 185 T CA 1.152 63.244 62.100 -0.014 0.000 1.129 185 T CB -0.188 68.710 68.868 0.049 0.000 0.899 185 T HN 0.965 nan 8.240 nan 0.000 0.491 186 Q N -0.040 119.632 119.800 -0.214 0.000 2.648 186 Q HA 0.525 4.864 4.340 -0.000 0.000 0.300 186 Q C -1.559 174.298 176.000 -0.239 0.000 0.954 186 Q CA -1.079 54.480 55.803 -0.406 0.000 0.757 186 Q CB 1.115 29.322 28.738 -0.885 0.000 1.482 186 Q HN 0.174 nan 8.270 nan 0.000 0.437 190 M N 2.516 122.302 119.600 0.310 0.000 2.023 190 M HA 0.494 4.974 4.480 -0.000 0.000 0.325 190 M C 0.364 176.831 176.300 0.279 0.000 0.963 190 M CA -0.344 55.133 55.300 0.296 0.000 0.928 190 M CB 0.829 33.547 32.600 0.198 0.000 1.429 190 M HN 0.924 nan 8.290 nan 0.000 0.404 191 A N 2.186 125.151 122.820 0.242 0.000 2.220 191 A HA 0.323 4.643 4.320 -0.000 0.000 0.211 191 A C 0.962 178.590 177.584 0.074 0.000 1.176 191 A CA 0.818 52.950 52.037 0.158 0.000 0.834 191 A CB 0.286 19.351 19.000 0.108 0.000 0.868 191 A HN 0.753 nan 8.150 nan 0.000 0.488 192 S N -2.439 113.292 115.700 0.051 0.000 2.752 192 S HA 0.653 5.123 4.470 -0.000 0.000 0.284 192 S C 0.391 175.031 174.600 0.066 0.000 1.189 192 S CA -0.143 58.062 58.200 0.009 0.000 0.835 192 S CB 0.455 63.617 63.200 -0.064 0.000 1.192 192 S HN 0.889 nan 8.310 nan 0.000 0.506 193 G N -1.006 107.828 108.800 0.057 0.000 2.653 193 G HA2 0.577 4.537 3.960 -0.000 0.000 0.265 193 G HA3 0.577 4.537 3.960 -0.000 0.000 0.265 193 G C 0.415 175.384 174.900 0.114 0.000 1.237 193 G CA -0.100 45.052 45.100 0.087 0.000 0.946 193 G HN 1.335 nan 8.290 nan 0.000 0.522 194 G N -2.503 106.331 108.800 0.057 0.000 3.433 194 G HA2 0.413 4.373 3.960 -0.000 0.000 0.173 194 G HA3 0.413 4.373 3.960 -0.000 0.000 0.173 194 G C -0.013 175.004 174.900 0.195 0.000 1.196 194 G CA 0.751 45.928 45.100 0.129 0.000 1.062 194 G HN 0.811 nan 8.290 nan 0.000 0.699 195 V N 0.030 120.152 119.914 0.346 0.000 3.161 195 V HA 0.382 4.502 4.120 -0.000 0.000 0.221 195 V C 2.495 178.731 176.094 0.236 0.000 1.296 195 V CA 1.345 63.784 62.300 0.231 0.000 1.306 195 V CB 0.462 32.415 31.823 0.216 0.000 1.171 195 V HN 0.758 nan 8.190 nan 0.000 0.513 196 A N 0.973 123.963 122.820 0.283 0.000 2.238 196 A HA 0.241 4.561 4.320 -0.000 0.000 0.208 196 A C 1.135 178.808 177.584 0.149 0.000 1.177 196 A CA 0.711 52.838 52.037 0.149 0.000 0.804 196 A CB -0.422 18.625 19.000 0.078 0.000 0.823 196 A HN 0.601 nan 8.150 nan 0.000 0.482 197 S N -0.425 115.391 115.700 0.194 0.000 2.578 197 S HA 0.504 4.974 4.470 -0.000 0.000 0.283 197 S C -1.641 173.051 174.600 0.154 0.000 1.195 197 S CA -1.161 57.148 58.200 0.181 0.000 1.050 197 S CB 1.618 64.899 63.200 0.135 0.000 1.012 197 S HN 0.159 nan 8.310 nan 0.000 0.511 198 P HA 0.023 nan 4.420 nan 0.000 0.221 198 P C 1.181 178.520 177.300 0.064 0.000 1.155 198 P CA 1.123 64.276 63.100 0.089 0.000 0.812 198 P CB -0.246 31.504 31.700 0.084 0.000 0.801 199 T N -3.610 110.977 114.554 0.055 0.000 3.040 199 T HA 0.079 4.429 4.350 -0.000 0.000 0.250 199 T C 0.301 175.022 174.700 0.035 0.000 1.058 199 T CA -0.345 61.775 62.100 0.035 0.000 0.988 199 T CB -0.429 68.449 68.868 0.016 0.000 0.993 199 T HN 0.112 nan 8.240 nan 0.000 0.519 200 D N 1.533 121.968 120.400 0.057 0.000 2.492 200 D HA 0.399 5.039 4.640 -0.000 0.000 0.248 200 D C -3.274 173.063 176.300 0.062 0.000 1.101 200 D CA -2.085 51.949 54.000 0.056 0.000 0.840 200 D CB 2.088 42.928 40.800 0.066 0.000 1.209 200 D HN 0.039 nan 8.370 nan 0.000 0.524 201 P HA 0.110 nan 4.420 nan 0.000 0.271 201 P C 1.275 178.586 177.300 0.020 0.000 1.218 201 P CA -0.546 62.565 63.100 0.018 0.000 0.780 201 P CB 1.277 32.979 31.700 0.004 0.000 0.901 202 I N 1.906 122.473 120.570 -0.005 0.000 2.226 202 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 202 I C 1.657 177.775 176.117 0.001 0.000 1.100 202 I CA 1.917 63.209 61.300 -0.012 0.000 1.374 202 I CB -0.347 37.567 38.000 -0.143 0.000 1.057 202 I HN 0.334 nan 8.210 nan 0.000 0.413 203 A N 1.869 124.677 122.820 -0.019 0.000 1.933 203 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 203 A C 1.229 178.813 177.584 -0.000 0.000 1.175 203 A CA 1.450 53.478 52.037 -0.015 0.000 0.628 203 A CB -0.984 18.003 19.000 -0.023 0.000 0.814 203 A HN 0.793 nan 8.150 nan 0.000 0.444 204 N N 0.164 118.867 118.700 0.005 0.000 2.463 204 N HA 0.260 5.000 4.740 -0.000 0.000 0.270 204 N C -0.268 175.249 175.510 0.012 0.000 1.205 204 N CA 0.441 53.495 53.050 0.007 0.000 0.974 204 N CB 0.624 39.114 38.487 0.005 0.000 1.197 204 N HN 0.239 nan 8.380 nan 0.000 0.504 205 T N -2.336 112.225 114.554 0.011 0.000 2.944 205 T HA 0.419 4.769 4.350 -0.000 0.000 0.284 205 T C -0.271 174.436 174.700 0.012 0.000 1.010 205 T CA -0.779 61.331 62.100 0.016 0.000 1.025 205 T CB 1.550 70.431 68.868 0.022 0.000 1.079 205 T HN 0.598 nan 8.240 nan 0.000 0.516 206 Q N -0.043 119.770 119.800 0.022 0.000 2.397 206 Q HA 0.541 4.880 4.340 -0.000 0.000 0.275 206 Q C -1.642 174.395 176.000 0.062 0.000 1.090 206 Q CA -0.937 54.851 55.803 -0.025 0.000 0.809 206 Q CB 2.305 30.999 28.738 -0.074 0.000 1.362 206 Q HN 0.817 nan 8.270 nan 0.000 0.431 207 Y N -0.658 119.655 120.300 0.023 0.000 2.540 207 Y HA -0.292 4.258 4.550 -0.000 0.000 0.022 207 Y C 0.177 176.085 175.900 0.013 0.000 1.737 207 Y CA 0.154 58.264 58.100 0.017 0.000 1.396 207 Y CB -0.376 38.096 38.460 0.020 0.000 2.043 207 Y HN 0.756 nan 8.280 nan 0.000 0.259 208 S N 1.571 117.402 115.700 0.218 0.000 2.645 208 S HA 0.257 4.727 4.470 -0.000 0.000 0.266 208 S C 0.807 175.455 174.600 0.080 0.000 1.258 208 S CA -0.152 58.115 58.200 0.112 0.000 0.990 208 S CB 1.659 64.907 63.200 0.081 0.000 0.967 208 S HN 0.717 nan 8.310 nan 0.000 0.556 209 E N 0.498 120.726 120.200 0.047 0.000 2.110 209 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 209 E C 1.106 177.711 176.600 0.007 0.000 0.988 209 E CA 1.420 57.835 56.400 0.025 0.000 0.804 209 E CB -0.234 29.477 29.700 0.019 0.000 0.745 209 E HN 0.674 nan 8.360 nan 0.000 0.458 210 D N 0.748 121.154 120.400 0.011 0.000 2.178 210 D HA -0.146 4.494 4.640 -0.000 0.000 0.201 210 D C 1.640 177.926 176.300 -0.023 0.000 0.980 210 D CA 1.003 55.002 54.000 -0.001 0.000 0.842 210 D CB -0.134 40.671 40.800 0.007 0.000 0.948 210 D HN 0.253 nan 8.370 nan 0.000 0.472 211 E N -0.087 120.096 120.200 -0.028 0.000 2.046 211 E HA -0.042 4.308 4.350 -0.000 0.000 0.190 211 E C 2.255 178.745 176.600 -0.183 0.000 0.982 211 E CA 0.434 56.769 56.400 -0.108 0.000 0.800 211 E CB -0.005 29.637 29.700 -0.097 0.000 0.756 211 E HN 0.259 nan 8.360 nan 0.000 0.449 212 I N 0.829 121.318 120.570 -0.135 0.000 2.286 212 I HA -0.259 3.911 4.170 -0.000 0.000 0.248 212 I C 2.479 178.552 176.117 -0.074 0.000 1.115 212 I CA 1.036 62.264 61.300 -0.120 0.000 1.392 212 I CB -0.219 37.759 38.000 -0.036 0.000 1.065 212 I HN 0.013 nan 8.210 nan 0.000 0.418 213 R N 0.784 121.256 120.500 -0.046 0.000 2.081 213 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 213 R C 2.462 178.739 176.300 -0.037 0.000 1.131 213 R CA 1.530 57.613 56.100 -0.028 0.000 0.960 213 R CB -0.490 29.802 30.300 -0.014 0.000 0.856 213 R HN 0.373 nan 8.270 nan 0.000 0.436 214 A N 0.951 123.740 122.820 -0.052 0.000 1.972 214 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 214 A C 2.088 179.633 177.584 -0.066 0.000 1.169 214 A CA 1.126 53.132 52.037 -0.053 0.000 0.635 214 A CB -0.376 18.591 19.000 -0.056 0.000 0.810 214 A HN 0.183 nan 8.150 nan 0.000 0.446 215 I N -0.936 119.577 120.570 -0.095 0.000 2.233 215 I HA -0.170 4.000 4.170 -0.000 0.000 0.243 215 I C 2.336 178.418 176.117 -0.057 0.000 1.093 215 I CA 0.882 62.123 61.300 -0.098 0.000 1.380 215 I CB -0.259 37.648 38.000 -0.155 0.000 1.067 215 I HN 0.135 nan 8.210 nan 0.000 0.413 216 V N 0.801 120.691 119.914 -0.040 0.000 2.343 216 V HA -0.309 3.811 4.120 -0.000 0.000 0.247 216 V C 2.056 178.148 176.094 -0.003 0.000 1.051 216 V CA 2.021 64.316 62.300 -0.008 0.000 1.036 216 V CB -0.650 31.177 31.823 0.007 0.000 0.654 216 V HN 0.396 nan 8.190 nan 0.000 0.451 217 D N -0.339 120.054 120.400 -0.012 0.000 2.123 217 D HA -0.149 4.491 4.640 -0.000 0.000 0.196 217 D C 2.302 178.595 176.300 -0.012 0.000 0.992 217 D CA 1.117 55.112 54.000 -0.009 0.000 0.833 217 D CB -0.135 40.657 40.800 -0.014 0.000 0.954 217 D HN 0.397 nan 8.370 nan 0.000 0.455 218 E N 0.066 120.253 120.200 -0.023 0.000 2.158 218 E HA 0.024 4.374 4.350 -0.000 0.000 0.191 218 E C 2.025 178.610 176.600 -0.025 0.000 0.982 218 E CA 0.542 56.926 56.400 -0.026 0.000 0.823 218 E CB -0.132 29.547 29.700 -0.036 0.000 0.766 218 E HN 0.205 nan 8.360 nan 0.000 0.468 219 A N 1.449 124.253 122.820 -0.025 0.000 1.898 219 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 219 A C 2.021 179.605 177.584 -0.000 0.000 1.181 219 A CA 1.286 53.307 52.037 -0.026 0.000 0.620 219 A CB -0.408 18.574 19.000 -0.029 0.000 0.819 219 A HN 0.159 nan 8.150 nan 0.000 0.442 220 E N -0.408 119.801 120.200 0.015 0.000 2.204 220 E HA -0.096 4.254 4.350 -0.000 0.000 0.195 220 E C 2.055 178.662 176.600 0.012 0.000 0.990 220 E CA 0.747 57.162 56.400 0.025 0.000 0.821 220 E CB -0.198 29.517 29.700 0.026 0.000 0.750 220 E HN 0.622 nan 8.360 nan 0.000 0.477 221 A N 0.627 123.448 122.820 0.001 0.000 2.119 221 A HA 0.119 4.439 4.320 -0.000 0.000 0.216 221 A C 1.881 179.461 177.584 -0.006 0.000 1.152 221 A CA 1.096 53.130 52.037 -0.004 0.000 0.708 221 A CB 0.122 19.116 19.000 -0.010 0.000 0.805 221 A HN 0.196 nan 8.150 nan 0.000 0.460 222 A N -0.650 122.165 122.820 -0.008 0.000 2.594 222 A HA 0.405 4.725 4.320 -0.000 0.000 0.287 222 A C 0.381 177.962 177.584 -0.004 0.000 1.227 222 A CA -0.043 51.987 52.037 -0.012 0.000 0.952 222 A CB -0.241 18.744 19.000 -0.025 0.000 1.161 222 A HN 0.355 nan 8.150 nan 0.000 0.524 223 N N -0.015 118.690 118.700 0.008 0.000 2.735 223 N HA -0.138 4.602 4.740 -0.000 0.000 0.248 223 N C 0.075 175.608 175.510 0.038 0.000 1.083 223 N CA 1.749 54.812 53.050 0.022 0.000 0.703 223 N CB -1.667 36.829 38.487 0.016 0.000 1.005 223 N HN 0.675 nan 8.380 nan 0.000 0.550 224 T N -2.022 112.557 114.554 0.042 0.000 2.598 224 T HA 0.716 5.066 4.350 -0.000 0.000 0.289 224 T C -1.367 173.410 174.700 0.128 0.000 1.056 224 T CA -0.251 61.892 62.100 0.073 0.000 1.088 224 T CB 1.069 69.894 68.868 -0.072 0.000 1.519 224 T HN 0.204 nan 8.240 nan 0.000 0.488 225 Y N -1.502 118.789 120.300 -0.015 0.000 2.876 225 Y HA 0.873 5.423 4.550 -0.000 0.000 0.317 225 Y C -1.560 174.340 175.900 -0.000 0.000 1.369 225 Y CA -1.227 56.872 58.100 -0.001 0.000 1.101 225 Y CB 0.782 39.248 38.460 0.010 0.000 1.346 225 Y HN 0.356 nan 8.280 nan 0.000 0.505 226 V N 3.255 123.291 119.914 0.203 0.000 2.531 226 V HA 0.384 4.504 4.120 -0.000 0.000 0.301 226 V C -0.360 175.860 176.094 0.211 0.000 1.034 226 V CA -0.919 61.436 62.300 0.091 0.000 0.865 226 V CB 1.521 33.378 31.823 0.056 0.000 0.995 226 V HN 0.798 nan 8.190 nan 0.000 0.424 227 M N 3.699 123.385 119.600 0.143 0.000 2.264 227 M HA 0.942 5.422 4.480 -0.000 0.000 0.352 227 M C -0.323 176.059 176.300 0.136 0.000 1.173 227 M CA -0.290 55.110 55.300 0.167 0.000 1.075 227 M CB 1.621 34.311 32.600 0.150 0.000 1.621 227 M HN 0.571 nan 8.290 nan 0.000 0.457 228 A N 1.436 124.345 122.820 0.148 0.000 2.401 228 A HA 0.599 4.919 4.320 -0.000 0.000 0.310 228 A C -1.613 176.088 177.584 0.195 0.000 1.075 228 A CA -0.686 51.446 52.037 0.158 0.000 0.746 228 A CB 1.008 20.074 19.000 0.111 0.000 1.277 228 A HN 0.967 nan 8.150 nan 0.000 0.425 229 H N 0.997 120.140 119.070 0.122 0.000 2.640 229 H HA 0.698 5.254 4.556 -0.000 0.000 0.297 229 H C -0.376 174.929 175.328 -0.038 0.000 1.073 229 H CA 0.421 56.526 56.048 0.095 0.000 1.305 229 H CB 0.719 30.570 29.762 0.148 0.000 1.404 229 H HN 0.896 nan 8.280 nan 0.000 0.459 230 A N 4.719 127.252 122.820 -0.478 0.000 2.488 230 A HA 0.386 4.705 4.320 -0.000 0.000 0.298 230 A C -1.346 175.969 177.584 -0.449 0.000 1.044 230 A CA -0.688 51.094 52.037 -0.425 0.000 0.693 230 A CB 0.595 19.512 19.000 -0.139 0.000 1.272 230 A HN 0.690 nan 8.150 nan 0.000 0.402 231 Y N 0.983 121.154 120.300 -0.216 0.000 2.333 231 Y HA 0.130 4.680 4.550 -0.000 0.000 0.287 231 Y C 2.117 177.972 175.900 -0.075 0.000 1.149 231 Y CA 1.455 59.472 58.100 -0.138 0.000 1.193 231 Y CB -0.269 38.083 38.460 -0.180 0.000 1.175 231 Y HN 0.723 nan 8.280 nan 0.000 0.518 232 T N -1.062 113.552 114.554 0.100 0.000 2.926 232 T HA 0.230 4.580 4.350 -0.000 0.000 0.307 232 T C 1.635 176.353 174.700 0.030 0.000 1.059 232 T CA 0.016 62.142 62.100 0.043 0.000 1.122 232 T CB 1.342 70.221 68.868 0.018 0.000 0.972 232 T HN 0.438 nan 8.240 nan 0.000 0.545 233 G N 1.068 109.881 108.800 0.023 0.000 2.450 233 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.220 233 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.220 233 G C 1.507 176.416 174.900 0.014 0.000 1.130 233 G CA 0.773 45.887 45.100 0.023 0.000 0.760 233 G HN 0.877 nan 8.290 nan 0.000 0.557 234 R N 0.581 121.086 120.500 0.008 0.000 2.083 234 R HA -0.020 4.320 4.340 -0.000 0.000 0.237 234 R C 2.780 179.083 176.300 0.004 0.000 1.137 234 R CA 1.662 57.765 56.100 0.005 0.000 0.951 234 R CB -0.430 29.872 30.300 0.003 0.000 0.851 234 R HN 0.275 nan 8.270 nan 0.000 0.434 235 A N 0.659 123.481 122.820 0.004 0.000 1.969 235 A HA -0.058 4.262 4.320 -0.000 0.000 0.218 235 A C 2.104 179.686 177.584 -0.004 0.000 1.169 235 A CA 1.155 53.192 52.037 -0.001 0.000 0.635 235 A CB -0.308 18.684 19.000 -0.014 0.000 0.810 235 A HN 0.382 nan 8.150 nan 0.000 0.445 236 I N -0.393 120.177 120.570 -0.000 0.000 2.439 236 I HA -0.155 4.014 4.170 -0.000 0.000 0.251 236 I C 2.870 178.978 176.117 -0.015 0.000 1.139 236 I CA 0.743 62.044 61.300 0.001 0.000 1.438 236 I CB -0.296 37.721 38.000 0.029 0.000 1.085 236 I HN 0.313 nan 8.210 nan 0.000 0.427 237 A N 2.283 125.096 122.820 -0.012 0.000 1.851 237 A HA -0.260 4.060 4.320 -0.000 0.000 0.216 237 A C 2.389 179.946 177.584 -0.045 0.000 1.195 237 A CA 2.320 54.340 52.037 -0.029 0.000 0.622 237 A CB -0.766 18.227 19.000 -0.012 0.000 0.831 237 A HN 0.486 nan 8.150 nan 0.000 0.444 238 R N -0.092 120.395 120.500 -0.022 0.000 2.096 238 R HA 0.076 4.416 4.340 -0.000 0.000 0.235 238 R C 2.170 178.458 176.300 -0.021 0.000 1.127 238 R CA 1.519 57.610 56.100 -0.016 0.000 0.968 238 R CB -0.832 29.471 30.300 0.005 0.000 0.861 238 R HN 0.362 nan 8.270 nan 0.000 0.440 239 A N 1.375 124.185 122.820 -0.017 0.000 1.877 239 A HA -0.082 4.238 4.320 -0.000 0.000 0.216 239 A C 2.428 179.988 177.584 -0.039 0.000 1.186 239 A CA 1.712 53.744 52.037 -0.009 0.000 0.620 239 A CB -0.608 18.395 19.000 0.006 0.000 0.822 239 A HN 0.171 nan 8.150 nan 0.000 0.443 240 V N -0.272 119.588 119.914 -0.090 0.000 2.453 240 V HA -0.189 3.931 4.120 -0.000 0.000 0.247 240 V C 2.557 178.484 176.094 -0.278 0.000 1.048 240 V CA 1.854 64.046 62.300 -0.180 0.000 1.049 240 V CB -0.810 30.872 31.823 -0.235 0.000 0.672 240 V HN 0.492 nan 8.190 nan 0.000 0.457 241 R N -0.612 119.752 120.500 -0.226 0.000 2.103 241 R HA -0.208 4.132 4.340 -0.000 0.000 0.242 241 R C 2.226 178.510 176.300 -0.027 0.000 1.142 241 R CA 1.975 58.001 56.100 -0.125 0.000 0.960 241 R CB -0.646 29.620 30.300 -0.057 0.000 0.858 241 R HN 0.460 nan 8.270 nan 0.000 0.439 242 C N -1.043 118.242 119.300 -0.024 0.000 2.500 242 C HA 0.170 4.630 4.460 -0.000 0.000 0.273 242 C C 1.413 176.411 174.990 0.012 0.000 1.428 242 C CA 0.672 59.690 59.018 0.000 0.000 1.766 242 C CB -0.461 27.277 27.740 -0.002 0.000 1.817 242 C HN 0.832 nan 8.230 nan 0.000 0.543 243 G N 0.605 109.411 108.800 0.010 0.000 2.145 243 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.176 243 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.176 243 G C 0.023 174.953 174.900 0.049 0.000 1.013 243 G CA 0.152 45.277 45.100 0.043 0.000 0.689 243 G HN 0.919 nan 8.290 nan 0.000 0.506 244 V N -1.628 118.309 119.914 0.038 0.000 2.811 244 V HA 0.654 4.774 4.120 -0.000 0.000 0.302 244 V C 1.492 177.639 176.094 0.088 0.000 1.063 244 V CA 0.556 62.898 62.300 0.071 0.000 1.088 244 V CB 1.491 33.353 31.823 0.065 0.000 0.982 244 V HN 0.383 nan 8.190 nan 0.000 0.485 245 R N 2.074 122.661 120.500 0.145 0.000 2.090 245 R HA 0.128 4.468 4.340 -0.000 0.000 0.219 245 R C 0.946 177.341 176.300 0.158 0.000 1.100 245 R CA 1.151 57.328 56.100 0.129 0.000 0.991 245 R CB 0.088 30.439 30.300 0.084 0.000 0.893 245 R HN 1.012 nan 8.270 nan 0.000 0.443 246 T N -1.600 113.059 114.554 0.174 0.000 2.908 246 T HA 0.517 4.867 4.350 -0.000 0.000 0.290 246 T C -0.256 174.514 174.700 0.118 0.000 1.034 246 T CA -0.916 61.282 62.100 0.163 0.000 1.010 246 T CB 1.965 70.915 68.868 0.137 0.000 1.068 246 T HN -0.114 nan 8.240 nan 0.000 0.481 247 I N 2.253 122.868 120.570 0.074 0.000 2.406 247 I HA 0.394 4.564 4.170 -0.000 0.000 0.290 247 I C -0.126 176.015 176.117 0.040 0.000 0.999 247 I CA -0.776 60.553 61.300 0.048 0.000 1.124 247 I CB 1.940 39.945 38.000 0.009 0.000 1.289 247 I HN 0.747 nan 8.210 nan 0.000 0.441 248 E N 6.195 126.440 120.200 0.075 0.000 2.266 248 E HA 0.334 4.684 4.350 -0.000 0.000 0.277 248 E C 0.511 177.098 176.600 -0.022 0.000 1.018 248 E CA -0.293 56.116 56.400 0.015 0.000 0.840 248 E CB 0.987 30.805 29.700 0.195 0.000 1.082 248 E HN 0.550 nan 8.360 nan 0.000 0.395 249 H N 1.819 120.865 119.070 -0.040 0.000 1.562 249 H HA -0.295 4.261 4.556 -0.000 0.000 0.090 249 H C 0.956 176.326 175.328 0.071 0.000 0.613 249 H CA 1.416 57.467 56.048 0.005 0.000 1.889 249 H CB -1.383 28.304 29.762 -0.124 0.000 2.240 249 H HN 0.853 nan 8.280 nan 0.000 0.959 250 G N 1.735 110.624 108.800 0.149 0.000 2.225 250 G HA2 -0.319 3.640 3.960 -0.000 0.000 0.264 250 G HA3 -0.319 3.640 3.960 -0.000 0.000 0.264 250 G C 0.510 175.568 174.900 0.264 0.000 1.060 250 G CA 1.023 46.244 45.100 0.201 0.000 0.833 250 G HN 0.602 nan 8.290 nan 0.000 0.498 251 N N -0.442 118.434 118.700 0.294 0.000 2.396 251 N HA 0.069 4.809 4.740 -0.000 0.000 0.180 251 N C 1.528 177.064 175.510 0.043 0.000 1.028 251 N CA 0.953 54.100 53.050 0.162 0.000 0.893 251 N CB -0.021 38.522 38.487 0.093 0.000 0.967 251 N HN 0.594 nan 8.380 nan 0.000 0.440 252 L N 0.797 122.061 121.223 0.068 0.000 3.100 252 L HA 0.341 4.681 4.340 -0.000 0.000 0.259 252 L C -0.527 176.342 176.870 -0.002 0.000 1.316 252 L CA -0.559 54.281 54.840 -0.000 0.000 0.992 252 L CB 0.175 42.227 42.059 -0.013 0.000 1.390 252 L HN -0.142 nan 8.230 nan 0.000 0.550 253 V N -2.295 117.606 119.914 -0.022 0.000 2.686 253 V HA 0.264 4.383 4.120 -0.000 0.000 0.295 253 V C 0.089 176.149 176.094 -0.056 0.000 1.055 253 V CA -0.832 61.452 62.300 -0.026 0.000 1.050 253 V CB 0.613 32.403 31.823 -0.055 0.000 0.984 253 V HN 0.397 nan 8.190 nan 0.000 0.482 254 D N 2.797 123.181 120.400 -0.028 0.000 2.432 254 D HA 0.266 4.906 4.640 -0.000 0.000 0.258 254 D C 0.999 177.284 176.300 -0.024 0.000 1.146 254 D CA -0.550 53.431 54.000 -0.032 0.000 1.015 254 D CB 0.624 41.413 40.800 -0.018 0.000 1.107 254 D HN 0.627 nan 8.370 nan 0.000 0.529 255 E N -0.025 120.161 120.200 -0.024 0.000 2.274 255 E HA -0.152 4.197 4.350 -0.000 0.000 0.194 255 E C 1.672 178.280 176.600 0.014 0.000 0.996 255 E CA 0.837 57.230 56.400 -0.013 0.000 0.840 255 E CB -0.440 29.249 29.700 -0.019 0.000 0.772 255 E HN 0.484 nan 8.360 nan 0.000 0.491 256 A N 2.173 125.001 122.820 0.014 0.000 1.873 256 A HA 0.085 4.405 4.320 -0.000 0.000 0.215 256 A C 2.529 180.137 177.584 0.039 0.000 1.186 256 A CA 1.908 53.961 52.037 0.026 0.000 0.616 256 A CB -0.688 18.323 19.000 0.018 0.000 0.823 256 A HN 0.358 nan 8.150 nan 0.000 0.442 257 A N -0.324 122.519 122.820 0.037 0.000 1.969 257 A HA 0.222 4.542 4.320 -0.000 0.000 0.218 257 A C 2.415 180.051 177.584 0.086 0.000 1.169 257 A CA 1.877 53.943 52.037 0.048 0.000 0.635 257 A CB -0.791 18.235 19.000 0.044 0.000 0.810 257 A HN 0.965 nan 8.150 nan 0.000 0.445 258 A N -0.374 122.510 122.820 0.108 0.000 1.897 258 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 258 A C 2.137 179.806 177.584 0.142 0.000 1.181 258 A CA 1.678 53.819 52.037 0.173 0.000 0.620 258 A CB -0.385 18.710 19.000 0.159 0.000 0.821 258 A HN 0.451 nan 8.150 nan 0.000 0.443 259 K N -0.699 119.764 120.400 0.105 0.000 2.097 259 K HA -0.130 4.190 4.320 -0.000 0.000 0.206 259 K C 1.886 178.573 176.600 0.145 0.000 1.049 259 K CA 1.425 57.786 56.287 0.123 0.000 0.933 259 K CB -0.268 32.282 32.500 0.084 0.000 0.717 259 K HN 0.359 nan 8.250 nan 0.000 0.442 260 L N 1.219 122.506 121.223 0.107 0.000 2.083 260 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 260 L C 2.151 179.088 176.870 0.113 0.000 1.083 260 L CA 1.587 56.490 54.840 0.105 0.000 0.752 260 L CB -0.264 41.816 42.059 0.035 0.000 0.899 260 L HN 0.224 nan 8.230 nan 0.000 0.433 261 M N -1.902 117.745 119.600 0.078 0.000 2.229 261 M HA -0.193 4.287 4.480 -0.000 0.000 0.264 261 M C 2.237 178.576 176.300 0.065 0.000 1.063 261 M CA 1.442 56.769 55.300 0.044 0.000 1.114 261 M CB -0.383 32.231 32.600 0.024 0.000 1.387 261 M HN 0.431 nan 8.290 nan 0.000 0.420 262 H N 0.567 119.642 119.070 0.008 0.000 2.353 262 H HA -0.124 4.432 4.556 -0.000 0.000 0.300 262 H C 1.564 176.880 175.328 -0.020 0.000 1.090 262 H CA 2.146 58.182 56.048 -0.019 0.000 1.327 262 H CB 0.074 29.838 29.762 0.004 0.000 1.383 262 H HN 0.397 nan 8.280 nan 0.000 0.508 263 E N -1.399 118.731 120.200 -0.117 0.000 2.216 263 E HA -0.079 4.271 4.350 -0.000 0.000 0.192 263 E C 1.504 177.999 176.600 -0.176 0.000 0.988 263 E CA 0.672 56.951 56.400 -0.201 0.000 0.834 263 E CB 0.109 29.763 29.700 -0.077 0.000 0.772 263 E HN 0.645 nan 8.360 nan 0.000 0.479 264 H N -0.752 118.240 119.070 -0.130 0.000 2.548 264 H HA 0.153 4.709 4.556 -0.000 0.000 0.268 264 H C 1.046 176.285 175.328 -0.148 0.000 0.975 264 H CA 0.857 56.840 56.048 -0.109 0.000 1.195 264 H CB 0.627 30.348 29.762 -0.068 0.000 1.397 264 H HN 0.255 nan 8.280 nan 0.000 0.572 265 G N -0.025 108.707 108.800 -0.114 0.000 2.182 265 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.248 265 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.248 265 G C 0.101 174.794 174.900 -0.345 0.000 1.042 265 G CA 0.167 45.121 45.100 -0.245 0.000 0.775 265 G HN 0.664 nan 8.290 nan 0.000 0.501 266 A N -0.324 122.355 122.820 -0.235 0.000 2.301 266 A HA 0.833 5.153 4.320 -0.000 0.000 0.298 266 A C 0.139 177.549 177.584 -0.289 0.000 1.185 266 A CA -0.502 51.417 52.037 -0.197 0.000 0.830 266 A CB 0.556 19.519 19.000 -0.062 0.000 1.112 266 A HN 0.535 nan 8.150 nan 0.000 0.508 267 F N 1.170 121.074 119.950 -0.076 0.000 2.370 267 F HA 0.505 5.032 4.527 -0.000 0.000 0.319 267 F C 0.465 176.173 175.800 -0.153 0.000 1.129 267 F CA -0.212 57.725 58.000 -0.106 0.000 1.109 267 F CB 1.326 40.268 39.000 -0.097 0.000 1.262 267 F HN 0.317 nan 8.300 nan 0.000 0.534 268 V N 1.191 121.095 119.914 -0.017 0.000 2.656 268 V HA 0.498 4.618 4.120 -0.000 0.000 0.307 268 V C -0.764 175.282 176.094 -0.080 0.000 1.051 268 V CA -0.925 61.273 62.300 -0.170 0.000 0.893 268 V CB 1.667 33.117 31.823 -0.622 0.000 0.999 268 V HN 0.461 nan 8.190 nan 0.000 0.426 269 V N 5.464 125.347 119.914 -0.053 0.000 2.266 269 V HA 0.353 4.473 4.120 -0.000 0.000 0.271 269 V C -2.447 173.582 176.094 -0.108 0.000 1.032 269 V CA -1.626 60.643 62.300 -0.052 0.000 0.806 269 V CB 1.193 33.017 31.823 0.000 0.000 1.052 269 V HN 0.742 nan 8.190 nan 0.000 0.449 270 P HA 0.316 nan 4.420 nan 0.000 0.274 270 P C 0.129 177.340 177.300 -0.147 0.000 1.231 270 P CA -0.052 63.033 63.100 -0.024 0.000 0.790 270 P CB 0.621 32.366 31.700 0.075 0.000 0.951 271 T N -1.264 113.235 114.554 -0.092 0.000 3.504 271 T HA 0.325 4.675 4.350 -0.000 0.000 0.286 271 T C 0.767 175.375 174.700 -0.154 0.000 1.530 271 T CA -0.457 61.504 62.100 -0.232 0.000 1.652 271 T CB -1.025 67.601 68.868 -0.404 0.000 0.895 271 T HN 0.090 nan 8.240 nan 0.000 0.674 272 L N 0.483 121.670 121.223 -0.059 0.000 2.313 272 L HA 0.083 4.423 4.340 -0.000 0.000 0.214 272 L C 2.621 179.471 176.870 -0.033 0.000 1.119 272 L CA 0.356 55.247 54.840 0.086 0.000 0.809 272 L CB -0.383 41.717 42.059 0.067 0.000 0.933 272 L HN 0.438 nan 8.230 nan 0.000 0.449 273 V N -0.536 119.287 119.914 -0.153 0.000 2.515 273 V HA -0.263 3.857 4.120 -0.000 0.000 0.250 273 V C 2.528 178.507 176.094 -0.193 0.000 1.058 273 V CA 2.382 64.589 62.300 -0.155 0.000 1.064 273 V CB 0.052 31.803 31.823 -0.121 0.000 0.675 273 V HN 0.483 nan 8.190 nan 0.000 0.461 274 T N -1.178 113.204 114.554 -0.287 0.000 2.951 274 T HA -0.121 4.229 4.350 -0.000 0.000 0.268 274 T C 1.536 176.081 174.700 -0.258 0.000 1.073 274 T CA 1.617 63.541 62.100 -0.295 0.000 1.134 274 T CB -0.242 68.417 68.868 -0.348 0.000 0.884 274 T HN 0.685 nan 8.240 nan 0.000 0.479 275 Y N 1.379 121.677 120.300 -0.003 0.000 2.337 275 Y HA 0.103 4.653 4.550 -0.000 0.000 0.293 275 Y C 2.361 178.232 175.900 -0.048 0.000 1.123 275 Y CA 0.305 58.398 58.100 -0.011 0.000 1.201 275 Y CB -0.413 38.044 38.460 -0.006 0.000 1.011 275 Y HN 0.235 nan 8.280 nan 0.000 0.545 276 D N -0.155 120.263 120.400 0.030 0.000 2.149 276 D HA -0.072 4.567 4.640 -0.000 0.000 0.201 276 D C 2.221 178.439 176.300 -0.137 0.000 0.972 276 D CA 1.293 55.252 54.000 -0.069 0.000 0.835 276 D CB -0.381 40.342 40.800 -0.129 0.000 0.966 276 D HN 0.317 nan 8.370 nan 0.000 0.476 277 A N 0.414 123.137 122.820 -0.161 0.000 1.968 277 A HA 0.007 4.327 4.320 -0.000 0.000 0.217 277 A C 2.043 179.694 177.584 0.112 0.000 1.169 277 A CA 0.517 52.514 52.037 -0.067 0.000 0.638 277 A CB -0.466 18.530 19.000 -0.006 0.000 0.812 277 A HN 0.196 nan 8.150 nan 0.000 0.446 278 L N -0.789 120.474 121.223 0.067 0.000 2.627 278 L HA 0.130 4.470 4.340 -0.000 0.000 0.232 278 L C 2.299 179.194 176.870 0.042 0.000 1.150 278 L CA 0.305 55.198 54.840 0.088 0.000 0.917 278 L CB -0.108 42.011 42.059 0.100 0.000 1.104 278 L HN 0.448 nan 8.230 nan 0.000 0.445 279 A N 0.212 123.029 122.820 -0.005 0.000 1.887 279 A HA -0.034 4.286 4.320 -0.000 0.000 0.210 279 A C 2.208 179.721 177.584 -0.118 0.000 1.221 279 A CA 0.650 52.658 52.037 -0.048 0.000 0.635 279 A CB 0.020 18.989 19.000 -0.053 0.000 0.881 279 A HN 0.162 nan 8.150 nan 0.000 0.456 280 K N -0.191 120.076 120.400 -0.221 0.000 2.076 280 K HA 0.008 4.328 4.320 -0.000 0.000 0.204 280 K C 0.527 176.784 176.600 -0.573 0.000 1.051 280 K CA 1.294 57.300 56.287 -0.467 0.000 0.949 280 K CB -0.009 32.051 32.500 -0.733 0.000 0.726 280 K HN 0.608 nan 8.250 nan 0.000 0.443 281 H N -1.248 117.807 119.070 -0.025 0.000 2.481 281 H HA 0.288 4.844 4.556 -0.000 0.000 0.273 281 H C 0.986 176.298 175.328 -0.027 0.000 1.145 281 H CA 0.030 56.004 56.048 -0.124 0.000 0.964 281 H CB 0.508 30.219 29.762 -0.085 0.000 1.722 281 H HN 0.232 nan 8.280 nan 0.000 0.573 282 G N 1.058 109.879 108.800 0.035 0.000 2.662 282 G HA2 -0.099 3.860 3.960 -0.000 0.000 0.215 282 G HA3 -0.099 3.860 3.960 -0.000 0.000 0.215 282 G C 1.637 176.570 174.900 0.055 0.000 1.310 282 G CA 0.822 45.959 45.100 0.062 0.000 0.849 282 G HN 0.404 nan 8.290 nan 0.000 0.568 283 A N 0.024 122.853 122.820 0.016 0.000 2.172 283 A HA 0.078 4.398 4.320 -0.000 0.000 0.216 283 A C 2.048 179.635 177.584 0.005 0.000 1.154 283 A CA 1.881 53.927 52.037 0.014 0.000 0.701 283 A CB -0.367 18.633 19.000 -0.000 0.000 0.789 283 A HN 0.586 nan 8.150 nan 0.000 0.465 284 E N -0.640 119.537 120.200 -0.039 0.000 2.007 284 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 284 E C -0.052 176.535 176.600 -0.021 0.000 0.999 284 E CA 0.909 57.243 56.400 -0.110 0.000 0.811 284 E CB -0.160 29.370 29.700 -0.282 0.000 0.762 284 E HN 0.484 nan 8.360 nan 0.000 0.450 285 F N 0.379 120.372 119.950 0.072 0.000 2.859 285 F HA 0.273 4.800 4.527 -0.000 0.000 0.315 285 F C 1.322 177.137 175.800 0.025 0.000 1.207 285 F CA 0.567 58.597 58.000 0.049 0.000 1.370 285 F CB 0.215 39.250 39.000 0.059 0.000 1.314 285 F HN 0.331 nan 8.300 nan 0.000 0.555 286 G N 0.244 109.153 108.800 0.182 0.000 2.205 286 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.261 286 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.261 286 G C 0.597 175.533 174.900 0.059 0.000 0.980 286 G CA 0.088 45.248 45.100 0.099 0.000 0.632 286 G HN 0.395 nan 8.290 nan 0.000 0.533 287 M N 2.630 122.274 119.600 0.072 0.000 2.200 287 M HA 0.404 4.883 4.480 -0.000 0.000 0.355 287 M C -1.660 174.659 176.300 0.033 0.000 1.283 287 M CA -1.756 53.570 55.300 0.043 0.000 1.124 287 M CB 0.658 33.294 32.600 0.060 0.000 1.625 287 M HN -0.036 nan 8.290 nan 0.000 0.463 288 P HA -0.041 nan 4.420 nan 0.000 0.266 288 P C -2.441 174.872 177.300 0.022 0.000 1.180 288 P CA -0.628 62.483 63.100 0.019 0.000 0.765 288 P CB -0.359 31.352 31.700 0.018 0.000 0.806 289 P HA -0.151 nan 4.420 nan 0.000 0.220 289 P C 1.331 178.639 177.300 0.013 0.000 1.148 289 P CA 1.358 64.466 63.100 0.013 0.000 0.803 289 P CB -0.080 31.625 31.700 0.008 0.000 0.782 290 E N -0.791 119.420 120.200 0.018 0.000 2.299 290 E HA -0.012 4.338 4.350 -0.000 0.000 0.193 290 E C 1.508 178.125 176.600 0.028 0.000 0.998 290 E CA 0.889 57.300 56.400 0.020 0.000 0.851 290 E CB -0.861 28.852 29.700 0.023 0.000 0.795 290 E HN 0.120 nan 8.360 nan 0.000 0.492 291 S N 1.120 116.843 115.700 0.037 0.000 2.371 291 S HA -0.062 4.408 4.470 -0.000 0.000 0.224 291 S C 2.130 176.757 174.600 0.045 0.000 1.029 291 S CA 1.225 59.457 58.200 0.053 0.000 0.978 291 S CB -0.119 63.118 63.200 0.060 0.000 0.833 291 S HN 0.216 nan 8.310 nan 0.000 0.466 292 V N 1.914 121.849 119.914 0.034 0.000 2.970 292 V HA -0.012 4.107 4.120 -0.000 0.000 0.260 292 V C 2.378 178.475 176.094 0.006 0.000 1.100 292 V CA 1.141 63.457 62.300 0.025 0.000 1.122 292 V CB -1.410 30.424 31.823 0.019 0.000 0.721 292 V HN 0.474 nan 8.190 nan 0.000 0.483 293 A N 0.343 123.164 122.820 0.002 0.000 1.930 293 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 293 A C 2.306 179.873 177.584 -0.027 0.000 1.175 293 A CA 1.539 53.568 52.037 -0.013 0.000 0.627 293 A CB -0.329 18.665 19.000 -0.010 0.000 0.815 293 A HN 0.502 nan 8.150 nan 0.000 0.443 294 K N -0.675 119.712 120.400 -0.022 0.000 2.432 294 K HA 0.101 4.421 4.320 -0.000 0.000 0.196 294 K C 1.362 177.910 176.600 -0.087 0.000 1.038 294 K CA 0.534 56.789 56.287 -0.055 0.000 0.986 294 K CB 0.051 32.530 32.500 -0.034 0.000 0.782 294 K HN 0.256 nan 8.250 nan 0.000 0.485 295 V N 0.745 120.636 119.914 -0.037 0.000 3.380 295 V HA -0.056 4.064 4.120 -0.000 0.000 0.268 295 V C 1.811 177.862 176.094 -0.072 0.000 1.168 295 V CA 1.047 63.333 62.300 -0.024 0.000 1.156 295 V CB -0.113 31.757 31.823 0.077 0.000 0.785 295 V HN 0.289 nan 8.190 nan 0.000 0.487 296 A N 0.395 123.168 122.820 -0.078 0.000 1.873 296 A HA -0.173 4.146 4.320 -0.000 0.000 0.215 296 A C 2.568 180.080 177.584 -0.120 0.000 1.186 296 A CA 2.214 54.202 52.037 -0.082 0.000 0.616 296 A CB -0.757 18.204 19.000 -0.066 0.000 0.823 296 A HN 0.740 nan 8.150 nan 0.000 0.442 297 S N 0.146 115.752 115.700 -0.157 0.000 2.371 297 S HA -0.126 4.344 4.470 -0.000 0.000 0.224 297 S C 1.859 176.312 174.600 -0.245 0.000 1.029 297 S CA 1.603 59.695 58.200 -0.181 0.000 0.978 297 S CB -1.306 61.785 63.200 -0.183 0.000 0.833 297 S HN 0.923 nan 8.310 nan 0.000 0.466 298 V N 1.720 121.412 119.914 -0.371 0.000 2.515 298 V HA -0.144 3.976 4.120 -0.000 0.000 0.250 298 V C 2.691 178.518 176.094 -0.445 0.000 1.058 298 V CA 1.559 63.543 62.300 -0.526 0.000 1.064 298 V CB -1.745 29.517 31.823 -0.936 0.000 0.675 298 V HN 0.767 nan 8.190 nan 0.000 0.461 299 Q N -0.192 119.414 119.800 -0.324 0.000 2.436 299 Q HA -0.115 4.225 4.340 -0.000 0.000 0.209 299 Q C 2.030 177.969 176.000 -0.101 0.000 0.965 299 Q CA 1.053 56.763 55.803 -0.154 0.000 0.910 299 Q CB -0.323 28.388 28.738 -0.045 0.000 0.980 299 Q HN 0.630 nan 8.270 nan 0.000 0.491 300 Q N 1.320 121.048 119.800 -0.121 0.000 1.994 300 Q HA -0.046 4.294 4.340 -0.000 0.000 0.198 300 Q C 1.400 177.350 176.000 -0.083 0.000 0.976 300 Q CA 1.219 56.968 55.803 -0.089 0.000 0.828 300 Q CB -0.144 28.540 28.738 -0.091 0.000 0.894 300 Q HN 0.201 nan 8.270 nan 0.000 0.432 301 K N 0.767 121.105 120.400 -0.104 0.000 2.551 301 K HA 0.068 4.388 4.320 -0.000 0.000 0.192 301 K C 1.629 178.183 176.600 -0.077 0.000 1.027 301 K CA 0.434 56.666 56.287 -0.090 0.000 1.059 301 K CB -0.515 31.927 32.500 -0.098 0.000 0.831 301 K HN 0.339 nan 8.250 nan 0.000 0.508 302 G N 0.296 109.057 108.800 -0.065 0.000 2.404 302 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.215 302 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.215 302 G C 1.443 176.345 174.900 0.004 0.000 1.174 302 G CA 0.297 45.388 45.100 -0.015 0.000 0.780 302 G HN 0.273 nan 8.290 nan 0.000 0.537 303 R N -0.069 120.427 120.500 -0.007 0.000 2.240 303 R HA 0.156 4.496 4.340 -0.000 0.000 0.203 303 R C 2.272 178.555 176.300 -0.028 0.000 1.011 303 R CA 0.607 56.704 56.100 -0.005 0.000 1.007 303 R CB 0.000 30.300 30.300 -0.000 0.000 0.911 303 R HN 0.456 nan 8.270 nan 0.000 0.468 304 E N 0.669 120.840 120.200 -0.049 0.000 2.072 304 E HA -0.139 4.210 4.350 -0.000 0.000 0.190 304 E C 1.665 178.196 176.600 -0.115 0.000 0.982 304 E CA 1.498 57.856 56.400 -0.070 0.000 0.803 304 E CB 0.195 29.853 29.700 -0.070 0.000 0.755 304 E HN 0.278 nan 8.360 nan 0.000 0.453 305 S N -0.031 115.580 115.700 -0.148 0.000 2.453 305 S HA -0.096 4.374 4.470 -0.000 0.000 0.231 305 S C 1.873 176.244 174.600 -0.381 0.000 1.005 305 S CA 0.332 58.348 58.200 -0.308 0.000 0.949 305 S CB -0.140 62.890 63.200 -0.284 0.000 0.774 305 S HN 0.142 nan 8.310 nan 0.000 0.510 306 L N 1.839 122.989 121.223 -0.121 0.000 2.131 306 L HA 0.065 4.405 4.340 -0.000 0.000 0.210 306 L C 2.595 179.464 176.870 -0.002 0.000 1.092 306 L CA 1.626 56.475 54.840 0.014 0.000 0.759 306 L CB -0.696 41.394 42.059 0.051 0.000 0.903 306 L HN 0.374 nan 8.230 nan 0.000 0.435 307 E N -0.898 119.269 120.200 -0.055 0.000 2.158 307 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 307 E C 2.305 178.864 176.600 -0.069 0.000 0.982 307 E CA 0.656 57.032 56.400 -0.041 0.000 0.823 307 E CB 0.009 29.685 29.700 -0.040 0.000 0.766 307 E HN 0.451 nan 8.360 nan 0.000 0.468 308 I N 0.472 120.944 120.570 -0.163 0.000 2.226 308 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 308 I C 1.880 177.929 176.117 -0.113 0.000 1.100 308 I CA 1.157 62.343 61.300 -0.190 0.000 1.374 308 I CB -0.294 37.528 38.000 -0.297 0.000 1.057 308 I HN 0.150 nan 8.210 nan 0.000 0.413 309 Y N 0.871 121.169 120.300 -0.002 0.000 2.220 309 Y HA -0.079 4.471 4.550 -0.000 0.000 0.291 309 Y C 2.699 178.590 175.900 -0.015 0.000 1.129 309 Y CA 0.682 58.781 58.100 -0.002 0.000 1.161 309 Y CB -1.204 37.266 38.460 0.017 0.000 0.997 309 Y HN 0.083 nan 8.280 nan 0.000 0.522 310 A N 0.377 123.279 122.820 0.137 0.000 1.933 310 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 310 A C 2.030 179.625 177.584 0.017 0.000 1.175 310 A CA 1.872 53.950 52.037 0.070 0.000 0.628 310 A CB -0.711 18.323 19.000 0.056 0.000 0.814 310 A HN 0.414 nan 8.150 nan 0.000 0.444 311 N N 0.526 119.226 118.700 0.000 0.000 2.080 311 N HA -0.041 4.699 4.740 -0.000 0.000 0.189 311 N C 1.696 177.171 175.510 -0.058 0.000 1.036 311 N CA 1.735 54.769 53.050 -0.027 0.000 0.846 311 N CB -0.533 37.936 38.487 -0.030 0.000 1.015 311 N HN 0.414 nan 8.380 nan 0.000 0.423 312 A N -0.359 122.434 122.820 -0.045 0.000 2.209 312 A HA 0.329 4.649 4.320 -0.000 0.000 0.212 312 A C 1.403 178.820 177.584 -0.278 0.000 1.158 312 A CA 0.965 52.942 52.037 -0.100 0.000 0.742 312 A CB -0.676 18.327 19.000 0.004 0.000 0.790 312 A HN 0.388 nan 8.150 nan 0.000 0.472 313 G N -1.186 107.505 108.800 -0.182 0.000 2.147 313 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.244 313 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.244 313 G C 0.062 174.930 174.900 -0.053 0.000 1.005 313 G CA 0.114 45.089 45.100 -0.209 0.000 0.713 313 G HN 0.951 nan 8.290 nan 0.000 0.515 314 V N 0.036 119.967 119.914 0.028 0.000 2.455 314 V HA 0.378 4.498 4.120 -0.000 0.000 0.273 314 V C 0.966 177.070 176.094 0.017 0.000 1.045 314 V CA -0.581 61.745 62.300 0.042 0.000 0.976 314 V CB 1.110 32.958 31.823 0.041 0.000 0.993 314 V HN 0.358 nan 8.190 nan 0.000 0.475 315 K N 4.685 125.081 120.400 -0.006 0.000 2.436 315 K HA 0.406 4.726 4.320 -0.000 0.000 0.275 315 K C -0.315 176.351 176.600 0.110 0.000 0.999 315 K CA 0.531 56.870 56.287 0.086 0.000 0.980 315 K CB 0.415 33.012 32.500 0.162 0.000 0.919 315 K HN 0.622 nan 8.250 nan 0.000 0.484 316 M N 1.440 121.111 119.600 0.119 0.000 2.326 316 M HA 0.370 4.850 4.480 -0.000 0.000 0.306 316 M C 0.017 176.373 176.300 0.093 0.000 1.054 316 M CA -0.645 54.696 55.300 0.068 0.000 0.922 316 M CB 2.363 34.999 32.600 0.061 0.000 1.632 316 M HN 0.757 nan 8.290 nan 0.000 0.436 317 G N 1.381 110.217 108.800 0.060 0.000 2.471 317 G HA2 0.602 4.562 3.960 -0.000 0.000 0.332 317 G HA3 0.602 4.562 3.960 -0.000 0.000 0.332 317 G C -1.592 173.353 174.900 0.076 0.000 1.176 317 G CA -0.505 44.636 45.100 0.070 0.000 0.949 317 G HN 0.614 nan 8.290 nan 0.000 0.488 318 F N 0.922 120.852 119.950 -0.032 0.000 2.495 318 F HA 0.531 5.058 4.527 -0.000 0.000 0.365 318 F C 0.649 176.410 175.800 -0.064 0.000 1.090 318 F CA 0.385 58.335 58.000 -0.083 0.000 1.235 318 F CB 1.024 39.963 39.000 -0.102 0.000 1.119 318 F HN 0.512 nan 8.300 nan 0.000 0.562 319 G N 3.243 111.750 108.800 -0.489 0.000 2.741 319 G HA2 0.396 4.356 3.960 -0.000 0.000 0.293 319 G HA3 0.396 4.356 3.960 -0.000 0.000 0.293 319 G C -0.458 174.153 174.900 -0.482 0.000 1.457 319 G CA -0.087 44.830 45.100 -0.305 0.000 1.098 319 G HN 0.795 nan 8.290 nan 0.000 0.536 320 S N 1.345 116.886 115.700 -0.264 0.000 2.438 320 S HA 0.152 4.622 4.470 -0.000 0.000 0.220 320 S C 0.941 175.438 174.600 -0.172 0.000 1.045 320 S CA 1.193 59.263 58.200 -0.216 0.000 0.940 320 S CB -0.077 63.081 63.200 -0.069 0.000 0.863 320 S HN 0.987 nan 8.310 nan 0.000 0.539 321 D N 0.424 120.782 120.400 -0.069 0.000 2.746 321 D HA -0.122 4.518 4.640 -0.000 0.000 0.236 321 D C -0.920 175.375 176.300 -0.007 0.000 1.129 321 D CA 0.338 54.353 54.000 0.025 0.000 0.691 321 D CB -2.048 38.680 40.800 -0.120 0.000 1.077 321 D HN 0.538 nan 8.370 nan 0.000 0.432 322 L N 0.108 121.273 121.223 -0.096 0.000 2.350 322 L HA 0.501 4.841 4.340 -0.000 0.000 0.275 322 L C 0.635 177.217 176.870 -0.481 0.000 1.099 322 L CA -0.682 54.009 54.840 -0.249 0.000 0.808 322 L CB 1.058 42.969 42.059 -0.246 0.000 1.149 322 L HN 0.050 nan 8.230 nan 0.000 0.442 323 L N 2.341 123.384 121.223 -0.300 0.000 2.329 323 L HA 0.703 5.043 4.340 -0.000 0.000 0.279 323 L C 0.900 177.662 176.870 -0.179 0.000 1.014 323 L CA -0.457 54.264 54.840 -0.198 0.000 0.814 323 L CB 1.393 43.417 42.059 -0.059 0.000 1.257 323 L HN 0.867 nan 8.230 nan 0.000 0.424 324 G N 2.308 111.086 108.800 -0.036 0.000 2.574 324 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.286 324 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.286 324 G C 0.653 175.545 174.900 -0.015 0.000 1.212 324 G CA 0.423 45.519 45.100 -0.007 0.000 0.979 324 G HN 0.885 nan 8.290 nan 0.000 0.557 325 E N 0.690 120.751 120.200 -0.230 0.000 2.511 325 E HA 0.095 4.445 4.350 -0.000 0.000 0.196 325 E C 2.156 178.602 176.600 -0.256 0.000 1.066 325 E CA 0.957 57.173 56.400 -0.308 0.000 0.871 325 E CB -0.090 29.262 29.700 -0.579 0.000 0.863 325 E HN 0.640 nan 8.360 nan 0.000 0.520 326 M N 0.165 119.680 119.600 -0.142 0.000 2.563 326 M HA 0.083 4.563 4.480 -0.000 0.000 0.231 326 M C 0.937 177.251 176.300 0.023 0.000 1.136 326 M CA 0.204 55.518 55.300 0.024 0.000 1.026 326 M CB -0.167 32.537 32.600 0.174 0.000 1.597 326 M HN 0.137 nan 8.290 nan 0.000 0.495 327 H N -0.483 118.577 119.070 -0.016 0.000 2.521 327 H HA 0.015 4.571 4.556 -0.000 0.000 0.286 327 H C 2.064 177.388 175.328 -0.007 0.000 1.034 327 H CA 1.215 57.263 56.048 0.000 0.000 1.278 327 H CB 0.307 30.053 29.762 -0.026 0.000 1.386 327 H HN 0.456 nan 8.280 nan 0.000 0.567 328 A N 0.038 122.867 122.820 0.016 0.000 2.015 328 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 328 A C 1.592 179.165 177.584 -0.019 0.000 1.163 328 A CA 0.730 52.730 52.037 -0.061 0.000 0.646 328 A CB -0.749 18.127 19.000 -0.206 0.000 0.806 328 A HN 0.430 nan 8.150 nan 0.000 0.448 329 F N 0.078 120.077 119.950 0.081 0.000 2.771 329 F HA -0.098 4.429 4.527 -0.000 0.000 0.299 329 F C 2.340 178.211 175.800 0.118 0.000 1.177 329 F CA 0.717 58.771 58.000 0.090 0.000 1.450 329 F CB -0.051 38.987 39.000 0.064 0.000 1.114 329 F HN 0.394 nan 8.300 nan 0.000 0.587 330 Q N 0.246 120.217 119.800 0.284 0.000 2.045 330 Q HA -0.226 4.114 4.340 -0.000 0.000 0.206 330 Q C 2.187 178.445 176.000 0.430 0.000 0.991 330 Q CA 2.219 58.171 55.803 0.249 0.000 0.851 330 Q CB -0.133 28.689 28.738 0.140 0.000 0.911 330 Q HN 0.277 nan 8.270 nan 0.000 0.418 331 S N -0.354 115.648 115.700 0.503 0.000 2.474 331 S HA -0.058 4.411 4.470 -0.000 0.000 0.235 331 S C 1.625 176.557 174.600 0.554 0.000 0.997 331 S CA 0.709 59.283 58.200 0.623 0.000 0.949 331 S CB -0.176 63.265 63.200 0.401 0.000 0.766 331 S HN 0.633 nan 8.310 nan 0.000 0.517 332 G N 1.342 110.382 108.800 0.400 0.000 2.509 332 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.218 332 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.218 332 G C 1.184 176.223 174.900 0.232 0.000 1.124 332 G CA 0.811 46.093 45.100 0.303 0.000 0.776 332 G HN 0.549 nan 8.290 nan 0.000 0.547 333 E N 0.161 120.479 120.200 0.196 0.000 2.204 333 E HA -0.097 4.253 4.350 -0.000 0.000 0.195 333 E C 1.833 178.467 176.600 0.056 0.000 0.990 333 E CA 0.611 56.987 56.400 -0.039 0.000 0.821 333 E CB -0.403 29.012 29.700 -0.475 0.000 0.750 333 E HN 0.413 nan 8.360 nan 0.000 0.477 334 F N 0.665 120.803 119.950 0.314 0.000 2.091 334 F HA -0.151 4.376 4.527 -0.000 0.000 0.299 334 F C 2.608 178.475 175.800 0.112 0.000 1.103 334 F CA 1.829 59.969 58.000 0.233 0.000 1.228 334 F CB -0.388 38.683 39.000 0.117 0.000 0.984 334 F HN 0.018 nan 8.300 nan 0.000 0.477 335 R N 0.174 120.847 120.500 0.288 0.000 2.092 335 R HA -0.115 4.225 4.340 -0.000 0.000 0.231 335 R C 2.225 178.593 176.300 0.113 0.000 1.119 335 R CA 1.279 57.480 56.100 0.168 0.000 0.970 335 R CB -0.413 29.969 30.300 0.137 0.000 0.864 335 R HN 0.284 nan 8.270 nan 0.000 0.440 336 I N 0.023 120.647 120.570 0.090 0.000 2.286 336 I HA -0.270 3.900 4.170 -0.000 0.000 0.248 336 I C 2.349 178.492 176.117 0.043 0.000 1.115 336 I CA 1.357 62.683 61.300 0.044 0.000 1.392 336 I CB -0.110 37.895 38.000 0.007 0.000 1.065 336 I HN 0.125 nan 8.210 nan 0.000 0.418 337 R N 0.441 120.973 120.500 0.053 0.000 2.075 337 R HA 0.011 4.351 4.340 -0.000 0.000 0.226 337 R C 2.444 178.794 176.300 0.083 0.000 1.114 337 R CA 1.193 57.328 56.100 0.059 0.000 0.972 337 R CB -0.399 29.933 30.300 0.054 0.000 0.869 337 R HN 0.310 nan 8.270 nan 0.000 0.437 338 A N 1.389 124.275 122.820 0.111 0.000 1.972 338 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 338 A C 1.736 179.362 177.584 0.071 0.000 1.169 338 A CA 1.330 53.428 52.037 0.102 0.000 0.635 338 A CB -0.266 18.805 19.000 0.117 0.000 0.810 338 A HN 0.305 nan 8.150 nan 0.000 0.446 339 E N -0.667 119.570 120.200 0.062 0.000 2.347 339 E HA -0.045 4.305 4.350 -0.000 0.000 0.196 339 E C 1.357 177.978 176.600 0.036 0.000 1.008 339 E CA 1.072 57.498 56.400 0.044 0.000 0.852 339 E CB 0.066 29.790 29.700 0.039 0.000 0.783 339 E HN 0.526 nan 8.360 nan 0.000 0.505 340 V N -0.647 119.291 119.914 0.039 0.000 3.570 340 V HA 0.076 4.196 4.120 -0.000 0.000 0.257 340 V C 1.380 177.497 176.094 0.037 0.000 1.272 340 V CA 0.426 62.745 62.300 0.031 0.000 1.079 340 V CB 0.338 32.176 31.823 0.026 0.000 0.829 340 V HN 0.167 nan 8.190 nan 0.000 0.454 341 L N 0.209 121.462 121.223 0.050 0.000 3.174 341 L HA 0.675 5.015 4.340 -0.000 0.000 0.283 341 L C 0.886 177.792 176.870 0.060 0.000 1.187 341 L CA 0.474 55.348 54.840 0.056 0.000 1.018 341 L CB 0.837 42.937 42.059 0.069 0.000 1.433 341 L HN 0.433 nan 8.230 nan 0.000 0.593 342 G N 1.860 110.697 108.800 0.062 0.000 3.019 342 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.686 342 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.686 342 G C 0.316 175.263 174.900 0.079 0.000 1.056 342 G CA -0.019 45.118 45.100 0.061 0.000 0.774 342 G HN 0.465 nan 8.290 nan 0.000 0.583 343 N N 1.416 120.161 118.700 0.076 0.000 2.520 343 N HA -0.083 4.657 4.740 -0.000 0.000 0.185 343 N C 2.051 177.617 175.510 0.093 0.000 1.068 343 N CA 0.747 53.852 53.050 0.093 0.000 0.911 343 N CB 0.465 38.992 38.487 0.068 0.000 0.961 343 N HN 0.530 nan 8.380 nan 0.000 0.446 344 L N 0.928 122.198 121.223 0.077 0.000 2.068 344 L HA -0.084 4.256 4.340 -0.000 0.000 0.204 344 L C 2.489 179.420 176.870 0.101 0.000 1.076 344 L CA 1.477 56.363 54.840 0.077 0.000 0.753 344 L CB -0.164 41.929 42.059 0.058 0.000 0.910 344 L HN 0.082 nan 8.230 nan 0.000 0.439 345 E N 0.244 120.502 120.200 0.098 0.000 2.150 345 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 345 E C 1.958 178.641 176.600 0.139 0.000 0.985 345 E CA 1.328 57.792 56.400 0.106 0.000 0.814 345 E CB -0.039 29.714 29.700 0.088 0.000 0.752 345 E HN 0.479 nan 8.360 nan 0.000 0.466 346 A N 0.152 123.069 122.820 0.162 0.000 1.930 346 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 346 A C 2.197 179.976 177.584 0.325 0.000 1.175 346 A CA 1.080 53.255 52.037 0.229 0.000 0.627 346 A CB -0.533 18.624 19.000 0.262 0.000 0.815 346 A HN 0.333 nan 8.150 nan 0.000 0.443 347 L N -1.075 120.316 121.223 0.280 0.000 2.217 347 L HA -0.087 4.253 4.340 -0.000 0.000 0.211 347 L C 2.698 179.712 176.870 0.240 0.000 1.107 347 L CA 0.395 55.411 54.840 0.295 0.000 0.783 347 L CB -0.336 41.828 42.059 0.174 0.000 0.919 347 L HN 0.293 nan 8.230 nan 0.000 0.442 348 R N -0.405 120.203 120.500 0.181 0.000 2.081 348 R HA -0.076 4.264 4.340 -0.000 0.000 0.235 348 R C 2.332 178.728 176.300 0.160 0.000 1.131 348 R CA 1.203 57.392 56.100 0.148 0.000 0.960 348 R CB -0.864 29.509 30.300 0.121 0.000 0.856 348 R HN 0.242 nan 8.270 nan 0.000 0.436 349 S N 0.732 116.538 115.700 0.176 0.000 2.419 349 S HA -0.096 4.374 4.470 -0.000 0.000 0.235 349 S C 1.637 176.364 174.600 0.210 0.000 1.019 349 S CA 1.351 59.658 58.200 0.178 0.000 0.982 349 S CB 0.011 63.318 63.200 0.177 0.000 0.789 349 S HN 0.487 nan 8.310 nan 0.000 0.490 350 A N 0.336 123.284 122.820 0.214 0.000 2.390 350 A HA 0.333 4.653 4.320 -0.000 0.000 0.232 350 A C 1.595 179.314 177.584 0.226 0.000 1.233 350 A CA 0.666 52.812 52.037 0.181 0.000 0.907 350 A CB -0.026 18.956 19.000 -0.031 0.000 0.967 350 A HN 0.541 nan 8.150 nan 0.000 0.512 351 T N -4.277 110.391 114.554 0.191 0.000 3.349 351 T HA 0.031 4.380 4.350 -0.000 0.000 0.169 351 T C 1.923 176.682 174.700 0.097 0.000 0.938 351 T CA 1.252 63.440 62.100 0.147 0.000 1.017 351 T CB -0.886 68.070 68.868 0.148 0.000 1.476 351 T HN 0.274 nan 8.240 nan 0.000 0.327 352 T N 1.160 115.769 114.554 0.091 0.000 2.777 352 T HA -0.012 4.338 4.350 -0.000 0.000 0.266 352 T C 2.067 176.805 174.700 0.063 0.000 1.040 352 T CA 1.434 63.575 62.100 0.069 0.000 1.141 352 T CB -1.107 67.802 68.868 0.068 0.000 0.868 352 T HN 0.225 nan 8.240 nan 0.000 0.444 353 V N 1.892 121.854 119.914 0.080 0.000 2.548 353 V HA 0.130 4.249 4.120 -0.000 0.000 0.249 353 V C 3.199 179.274 176.094 -0.032 0.000 1.055 353 V CA 1.131 63.475 62.300 0.073 0.000 1.065 353 V CB -1.358 30.539 31.823 0.124 0.000 0.681 353 V HN 0.669 nan 8.190 nan 0.000 0.462 354 A N 0.420 123.248 122.820 0.014 0.000 1.872 354 A HA 0.065 4.385 4.320 -0.000 0.000 0.214 354 A C 2.354 179.916 177.584 -0.037 0.000 1.187 354 A CA 1.652 53.688 52.037 -0.001 0.000 0.614 354 A CB -0.666 18.395 19.000 0.101 0.000 0.826 354 A HN 0.535 nan 8.150 nan 0.000 0.442 355 A N -0.664 122.157 122.820 0.001 0.000 2.119 355 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 355 A C 1.897 179.443 177.584 -0.064 0.000 1.153 355 A CA 1.439 53.475 52.037 -0.001 0.000 0.692 355 A CB -0.389 18.631 19.000 0.033 0.000 0.799 355 A HN 0.651 nan 8.150 nan 0.000 0.458 356 E N -0.135 120.007 120.200 -0.096 0.000 2.152 356 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 356 E C 1.721 178.127 176.600 -0.323 0.000 0.983 356 E CA 0.793 57.118 56.400 -0.125 0.000 0.818 356 E CB -0.137 29.550 29.700 -0.022 0.000 0.758 356 E HN 0.691 nan 8.360 nan 0.000 0.467 357 I N 0.769 121.023 120.570 -0.526 0.000 2.163 357 I HA -0.219 3.951 4.170 -0.000 0.000 0.240 357 I C 2.253 178.105 176.117 -0.440 0.000 1.081 357 I CA 1.027 61.890 61.300 -0.728 0.000 1.353 357 I CB -0.135 37.463 38.000 -0.671 0.000 1.054 357 I HN 0.116 nan 8.210 nan 0.000 0.407 358 V N -1.455 118.318 119.914 -0.235 0.000 3.592 358 V HA 0.082 4.202 4.120 -0.000 0.000 0.272 358 V C 0.450 176.410 176.094 -0.225 0.000 1.228 358 V CA 0.579 62.754 62.300 -0.207 0.000 1.173 358 V CB -1.851 29.805 31.823 -0.277 0.000 0.873 358 V HN 0.671 nan 8.190 nan 0.000 0.476 359 N N 0.214 118.810 118.700 -0.173 0.000 2.735 359 N HA -0.157 4.583 4.740 -0.000 0.000 0.248 359 N C 0.218 175.679 175.510 -0.081 0.000 1.083 359 N CA 0.946 53.931 53.050 -0.108 0.000 0.703 359 N CB -0.628 37.821 38.487 -0.064 0.000 1.005 359 N HN 0.476 nan 8.380 nan 0.000 0.550 360 M N 0.482 120.040 119.600 -0.070 0.000 2.959 360 M HA 0.129 4.609 4.480 -0.000 0.000 0.337 360 M C 0.290 176.590 176.300 -0.000 0.000 1.220 360 M CA 0.038 55.328 55.300 -0.017 0.000 0.893 360 M CB 0.350 32.966 32.600 0.027 0.000 1.322 360 M HN 0.195 nan 8.290 nan 0.000 0.519 361 Q N 0.274 120.069 119.800 -0.009 0.000 2.286 361 Q HA 0.344 4.684 4.340 -0.000 0.000 0.267 361 Q C 1.141 177.147 176.000 0.012 0.000 1.028 361 Q CA 1.130 56.936 55.803 0.004 0.000 0.901 361 Q CB 0.572 29.314 28.738 0.006 0.000 1.183 361 Q HN 0.855 nan 8.270 nan 0.000 0.392 362 G N 3.223 112.032 108.800 0.016 0.000 2.189 362 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.267 362 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.267 362 G C 0.596 175.505 174.900 0.016 0.000 0.975 362 G CA 0.818 45.927 45.100 0.015 0.000 0.644 362 G HN 0.640 nan 8.290 nan 0.000 0.537 363 Q N -0.787 119.025 119.800 0.020 0.000 2.462 363 Q HA 0.580 4.920 4.340 -0.000 0.000 0.224 363 Q C 1.178 177.197 176.000 0.033 0.000 0.911 363 Q CA 0.747 56.566 55.803 0.026 0.000 0.925 363 Q CB 0.259 29.016 28.738 0.031 0.000 1.063 363 Q HN 0.595 nan 8.270 nan 0.000 0.572 364 L N -2.031 119.216 121.223 0.040 0.000 2.283 364 L HA 0.593 4.933 4.340 -0.000 0.000 0.259 364 L C 0.440 177.331 176.870 0.034 0.000 1.027 364 L CA -0.650 54.216 54.840 0.044 0.000 0.828 364 L CB 2.004 44.114 42.059 0.084 0.000 1.380 364 L HN 0.350 nan 8.230 nan 0.000 0.425 365 G N 0.520 109.336 108.800 0.026 0.000 2.168 365 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.257 365 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.257 365 G C -0.505 174.406 174.900 0.019 0.000 0.997 365 G CA 0.454 45.571 45.100 0.028 0.000 0.708 365 G HN 0.428 nan 8.290 nan 0.000 0.520 366 V N -0.076 119.841 119.914 0.004 0.000 3.048 366 V HA 0.661 4.781 4.120 -0.000 0.000 0.303 366 V C -0.698 175.389 176.094 -0.012 0.000 1.214 366 V CA -1.102 61.199 62.300 0.001 0.000 0.984 366 V CB 1.984 33.812 31.823 0.009 0.000 1.054 366 V HN 0.368 nan 8.190 nan 0.000 0.430 367 I N 5.401 125.961 120.570 -0.017 0.000 2.310 367 I HA 0.802 4.972 4.170 -0.000 0.000 0.287 367 I C 0.182 176.289 176.117 -0.016 0.000 1.073 367 I CA 0.059 61.346 61.300 -0.022 0.000 1.216 367 I CB 1.028 39.009 38.000 -0.032 0.000 1.415 367 I HN 0.704 nan 8.210 nan 0.000 0.480 368 A N 4.627 127.442 122.820 -0.008 0.000 2.606 368 A HA 0.718 5.038 4.320 -0.000 0.000 0.293 368 A C -0.742 176.843 177.584 0.002 0.000 1.082 368 A CA -0.627 51.408 52.037 -0.003 0.000 0.685 368 A CB 1.316 20.315 19.000 -0.001 0.000 1.284 368 A HN 0.203 nan 8.150 nan 0.000 0.408 369 V N 1.413 121.331 119.914 0.006 0.000 2.673 369 V HA 0.425 4.545 4.120 -0.000 0.000 0.303 369 V C 1.636 177.734 176.094 0.007 0.000 1.046 369 V CA 2.062 64.367 62.300 0.008 0.000 1.126 369 V CB 0.298 32.128 31.823 0.011 0.000 0.934 369 V HN 2.374 nan 8.190 nan 0.000 0.487 370 G N 3.530 112.334 108.800 0.007 0.000 2.358 370 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.224 370 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.224 370 G C 0.580 175.484 174.900 0.008 0.000 1.073 370 G CA 0.168 45.272 45.100 0.007 0.000 0.635 370 G HN 1.575 nan 8.290 nan 0.000 0.509 371 A N 0.994 123.818 122.820 0.007 0.000 2.483 371 A HA 0.566 4.886 4.320 -0.000 0.000 0.238 371 A C 0.846 178.433 177.584 0.005 0.000 1.070 371 A CA 0.389 52.431 52.037 0.008 0.000 0.770 371 A CB -0.052 18.951 19.000 0.006 0.000 1.008 371 A HN 1.025 nan 8.150 nan 0.000 0.497 372 I N 1.065 121.641 120.570 0.010 0.000 2.648 372 I HA 0.174 4.344 4.170 -0.000 0.000 0.284 372 I C 1.098 177.212 176.117 -0.006 0.000 1.153 372 I CA 0.145 61.449 61.300 0.006 0.000 1.426 372 I CB 0.654 38.664 38.000 0.017 0.000 1.381 372 I HN 0.657 nan 8.210 nan 0.000 0.571 373 A N 5.148 127.960 122.820 -0.013 0.000 2.906 373 A HA 0.218 4.537 4.320 -0.000 0.000 0.289 373 A C -0.515 177.048 177.584 -0.036 0.000 1.675 373 A CA -0.258 51.764 52.037 -0.025 0.000 1.372 373 A CB -0.773 18.212 19.000 -0.025 0.000 1.091 373 A HN 0.664 nan 8.150 nan 0.000 0.579 374 D N 1.878 122.251 120.400 -0.045 0.000 2.464 374 D HA 0.555 5.195 4.640 -0.000 0.000 0.243 374 D C -0.596 175.639 176.300 -0.109 0.000 1.104 374 D CA 0.300 54.260 54.000 -0.068 0.000 0.883 374 D CB 0.875 41.642 40.800 -0.054 0.000 1.050 374 D HN 0.409 nan 8.370 nan 0.000 0.524 375 L N 1.196 122.349 121.223 -0.118 0.000 2.341 375 L HA 0.646 4.986 4.340 -0.000 0.000 0.267 375 L C -0.567 176.192 176.870 -0.185 0.000 1.009 375 L CA -1.169 53.583 54.840 -0.147 0.000 0.819 375 L CB 2.366 44.368 42.059 -0.095 0.000 1.323 375 L HN -0.045 nan 8.230 nan 0.000 0.425 376 V N 2.422 122.187 119.914 -0.248 0.000 2.459 376 V HA 0.401 4.520 4.120 -0.000 0.000 0.295 376 V C -0.385 175.636 176.094 -0.121 0.000 1.029 376 V CA -0.660 61.494 62.300 -0.243 0.000 0.874 376 V CB 2.238 33.770 31.823 -0.486 0.000 0.985 376 V HN 0.377 nan 8.190 nan 0.000 0.438 377 V N 6.518 126.409 119.914 -0.038 0.000 2.350 377 V HA 0.431 4.551 4.120 -0.000 0.000 0.276 377 V C -0.396 175.693 176.094 -0.007 0.000 1.028 377 V CA -0.391 61.919 62.300 0.017 0.000 0.860 377 V CB 1.352 33.265 31.823 0.149 0.000 0.990 377 V HN 0.591 nan 8.190 nan 0.000 0.453 378 L N 4.827 126.038 121.223 -0.020 0.000 2.349 378 L HA 0.582 4.921 4.340 -0.000 0.000 0.278 378 L C -0.488 176.367 176.870 -0.025 0.000 0.996 378 L CA -0.161 54.663 54.840 -0.027 0.000 0.825 378 L CB 1.825 43.868 42.059 -0.028 0.000 1.243 378 L HN 0.602 nan 8.230 nan 0.000 0.412 379 D N 3.572 123.954 120.400 -0.029 0.000 2.295 379 D HA 0.602 5.242 4.640 -0.000 0.000 0.248 379 D C 0.293 176.577 176.300 -0.026 0.000 1.154 379 D CA 1.338 55.323 54.000 -0.026 0.000 0.857 379 D CB 0.816 41.598 40.800 -0.029 0.000 1.117 379 D HN 0.922 nan 8.370 nan 0.000 0.468 380 G N 2.980 111.766 108.800 -0.024 0.000 2.663 380 G HA2 -0.150 3.809 3.960 -0.000 0.000 0.686 380 G HA3 -0.150 3.809 3.960 -0.000 0.000 0.686 380 G C -0.713 174.172 174.900 -0.026 0.000 1.288 380 G CA -0.989 44.098 45.100 -0.022 0.000 0.836 380 G HN 0.622 nan 8.290 nan 0.000 0.584 381 N N 1.311 119.997 118.700 -0.022 0.000 2.437 381 N HA 0.555 5.295 4.740 -0.000 0.000 0.259 381 N C -0.433 175.063 175.510 -0.024 0.000 0.983 381 N CA -2.097 50.940 53.050 -0.022 0.000 0.937 381 N CB 1.902 40.380 38.487 -0.015 0.000 1.122 381 N HN 0.186 nan 8.380 nan 0.000 0.499 382 P HA -0.119 nan 4.420 nan 0.000 0.218 382 P C 1.371 178.658 177.300 -0.020 0.000 1.149 382 P CA 0.708 63.781 63.100 -0.045 0.000 0.817 382 P CB 0.622 32.285 31.700 -0.061 0.000 0.785 383 L N -0.413 120.806 121.223 -0.006 0.000 2.156 383 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 383 L C 2.674 179.549 176.870 0.009 0.000 1.095 383 L CA 1.594 56.439 54.840 0.008 0.000 0.770 383 L CB -0.833 41.232 42.059 0.011 0.000 0.914 383 L HN -0.126 nan 8.230 nan 0.000 0.439 384 E N -0.456 119.745 120.200 0.002 0.000 2.005 384 E HA -0.102 4.247 4.350 -0.000 0.000 0.191 384 E C 0.261 176.864 176.600 0.005 0.000 0.987 384 E CA 0.871 57.274 56.400 0.004 0.000 0.814 384 E CB -0.027 29.673 29.700 0.001 0.000 0.772 384 E HN 0.273 nan 8.360 nan 0.000 0.453 385 D N -0.352 120.047 120.400 -0.001 0.000 2.425 385 D HA 0.108 4.748 4.640 -0.000 0.000 0.240 385 D C 0.509 176.802 176.300 -0.011 0.000 1.080 385 D CA -0.294 53.706 54.000 -0.000 0.000 0.836 385 D CB 1.129 41.928 40.800 -0.002 0.000 1.125 385 D HN -0.127 nan 8.370 nan 0.000 0.525 386 I N 3.465 124.035 120.570 0.001 0.000 2.394 386 I HA 0.101 4.271 4.170 -0.000 0.000 0.251 386 I C 1.970 178.070 176.117 -0.029 0.000 1.136 386 I CA 1.310 62.605 61.300 -0.010 0.000 1.425 386 I CB -0.249 37.778 38.000 0.045 0.000 1.079 386 I HN 0.601 nan 8.210 nan 0.000 0.425 387 G N -0.047 108.752 108.800 -0.001 0.000 2.586 387 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.215 387 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.215 387 G C 1.590 176.478 174.900 -0.019 0.000 1.128 387 G CA 0.940 46.044 45.100 0.006 0.000 0.774 387 G HN 0.506 nan 8.290 nan 0.000 0.543 388 V N -1.823 118.063 119.914 -0.045 0.000 3.217 388 V HA 0.051 4.171 4.120 -0.000 0.000 0.264 388 V C 2.041 178.076 176.094 -0.098 0.000 1.135 388 V CA 1.395 63.661 62.300 -0.055 0.000 1.142 388 V CB -0.019 31.775 31.823 -0.048 0.000 0.754 388 V HN 0.123 nan 8.190 nan 0.000 0.484 389 V N 0.213 120.023 119.914 -0.173 0.000 2.911 389 V HA 0.480 4.600 4.120 -0.000 0.000 0.237 389 V C 2.003 177.979 176.094 -0.196 0.000 1.156 389 V CA 0.743 62.843 62.300 -0.334 0.000 1.180 389 V CB -0.327 31.008 31.823 -0.813 0.000 0.932 389 V HN 0.487 nan 8.190 nan 0.000 0.483 390 A N 0.511 123.289 122.820 -0.071 0.000 3.118 390 A HA 0.421 4.740 4.320 -0.000 0.000 0.256 390 A C 0.095 177.747 177.584 0.112 0.000 1.667 390 A CA 0.429 52.534 52.037 0.113 0.000 1.338 390 A CB -0.812 18.300 19.000 0.187 0.000 1.127 390 A HN 0.459 nan 8.150 nan 0.000 0.634 391 D N 0.165 120.621 120.400 0.092 0.000 3.216 391 D HA 0.096 4.736 4.640 -0.000 0.000 0.348 391 D C 0.163 176.513 176.300 0.084 0.000 1.407 391 D CA -0.095 53.957 54.000 0.087 0.000 0.744 391 D CB -0.346 40.484 40.800 0.050 0.000 1.264 391 D HN 0.502 nan 8.370 nan 0.000 0.543 392 E N 0.425 120.699 120.200 0.123 0.000 2.440 392 E HA -0.235 4.114 4.350 -0.000 0.000 0.246 392 E C 0.649 177.305 176.600 0.094 0.000 1.165 392 E CA 0.694 57.164 56.400 0.117 0.000 0.726 392 E CB -1.184 28.556 29.700 0.067 0.000 1.271 392 E HN 0.710 nan 8.360 nan 0.000 0.397 393 G N -1.382 107.470 108.800 0.087 0.000 2.338 393 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.296 393 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.296 393 G C 0.730 175.643 174.900 0.022 0.000 1.040 393 G CA 0.727 45.859 45.100 0.054 0.000 1.004 393 G HN 0.795 nan 8.290 nan 0.000 0.509 394 A N -0.137 122.691 122.820 0.013 0.000 1.930 394 A HA 0.188 4.508 4.320 -0.000 0.000 0.215 394 A C 2.025 179.597 177.584 -0.020 0.000 1.176 394 A CA 1.286 53.322 52.037 -0.002 0.000 0.632 394 A CB 0.008 19.011 19.000 0.005 0.000 0.819 394 A HN 0.497 nan 8.150 nan 0.000 0.445 395 R N -0.319 120.168 120.500 -0.022 0.000 3.351 395 R HA 0.306 4.646 4.340 -0.000 0.000 0.296 395 R C -0.837 175.439 176.300 -0.040 0.000 1.427 395 R CA 0.048 56.128 56.100 -0.033 0.000 1.257 395 R CB 0.151 30.433 30.300 -0.029 0.000 1.378 395 R HN 0.237 nan 8.270 nan 0.000 0.610 396 V N 1.304 121.191 119.914 -0.045 0.000 2.577 396 V HA 0.179 4.299 4.120 -0.000 0.000 0.303 396 V C 0.433 176.464 176.094 -0.105 0.000 1.042 396 V CA -0.511 61.756 62.300 -0.055 0.000 0.872 396 V CB 1.833 33.640 31.823 -0.026 0.000 0.998 396 V HN 0.392 nan 8.190 nan 0.000 0.423 397 E N 5.344 125.446 120.200 -0.163 0.000 2.413 397 E HA 0.106 4.456 4.350 -0.000 0.000 0.203 397 E C -0.842 175.415 176.600 -0.573 0.000 0.957 397 E CA 0.221 56.399 56.400 -0.370 0.000 0.950 397 E CB 0.583 30.009 29.700 -0.458 0.000 0.957 397 E HN 0.643 nan 8.360 nan 0.000 0.497 398 Y N 0.334 120.610 120.300 -0.040 0.000 2.406 398 Y HA 0.485 5.035 4.550 -0.000 0.000 0.340 398 Y C -0.586 175.274 175.900 -0.066 0.000 0.975 398 Y CA -1.072 57.001 58.100 -0.046 0.000 1.056 398 Y CB 2.542 40.977 38.460 -0.042 0.000 1.210 398 Y HN -0.257 nan 8.280 nan 0.000 0.448 399 V N 5.518 125.492 119.914 0.101 0.000 2.443 399 V HA 0.431 4.551 4.120 -0.000 0.000 0.293 399 V C -0.718 175.378 176.094 0.004 0.000 1.021 399 V CA -0.713 61.590 62.300 0.006 0.000 0.848 399 V CB 1.392 33.199 31.823 -0.027 0.000 0.998 399 V HN 0.523 nan 8.190 nan 0.000 0.424 400 L N 4.433 125.639 121.223 -0.029 0.000 2.325 400 L HA 0.655 4.995 4.340 -0.000 0.000 0.279 400 L C -0.041 176.800 176.870 -0.048 0.000 1.054 400 L CA 0.153 54.971 54.840 -0.035 0.000 0.804 400 L CB 1.281 43.313 42.059 -0.045 0.000 1.200 400 L HN 0.638 nan 8.230 nan 0.000 0.436 401 Q N 2.901 122.678 119.800 -0.039 0.000 2.309 401 Q HA 0.376 4.716 4.340 -0.000 0.000 0.254 401 Q C -0.890 175.090 176.000 -0.034 0.000 0.938 401 Q CA -0.672 55.107 55.803 -0.041 0.000 0.789 401 Q CB 0.984 29.698 28.738 -0.040 0.000 1.313 401 Q HN 0.551 nan 8.270 nan 0.000 0.438 402 R N 2.638 123.121 120.500 -0.030 0.000 3.333 402 R HA -0.316 4.024 4.340 -0.000 0.000 0.256 402 R C 0.717 177.004 176.300 -0.022 0.000 1.010 402 R CA 0.734 56.821 56.100 -0.021 0.000 0.680 402 R CB -2.100 28.188 30.300 -0.020 0.000 1.102 402 R HN 1.170 nan 8.270 nan 0.000 0.440 403 G N -1.095 107.690 108.800 -0.025 0.000 3.329 403 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.220 403 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.220 403 G C 0.286 175.168 174.900 -0.030 0.000 1.358 403 G CA 0.533 45.617 45.100 -0.026 0.000 0.856 403 G HN 0.659 nan 8.290 nan 0.000 0.551 404 T N 1.998 116.535 114.554 -0.027 0.000 2.853 404 T HA 0.469 4.819 4.350 -0.000 0.000 0.298 404 T C 0.459 175.144 174.700 -0.024 0.000 0.978 404 T CA 0.202 62.287 62.100 -0.026 0.000 1.152 404 T CB 0.586 69.440 68.868 -0.023 0.000 0.914 404 T HN 1.116 nan 8.240 nan 0.000 0.539 405 L N 6.418 127.627 121.223 -0.023 0.000 2.416 405 L HA 0.338 4.678 4.340 -0.000 0.000 0.272 405 L C 0.837 177.712 176.870 0.008 0.000 1.161 405 L CA 0.392 55.228 54.840 -0.007 0.000 0.845 405 L CB 0.911 42.963 42.059 -0.012 0.000 1.119 405 L HN 0.640 nan 8.230 nan 0.000 0.464 406 V N 1.248 121.172 119.914 0.017 0.000 3.307 406 V HA 0.340 4.460 4.120 -0.000 0.000 0.244 406 V C 0.482 176.593 176.094 0.028 0.000 1.196 406 V CA 0.116 62.424 62.300 0.013 0.000 1.132 406 V CB -0.475 31.347 31.823 -0.003 0.000 0.875 406 V HN 0.601 nan 8.190 nan 0.000 0.468 407 K N 1.874 122.302 120.400 0.047 0.000 2.259 407 K HA 0.658 4.978 4.320 -0.000 0.000 0.252 407 K C -0.848 175.796 176.600 0.074 0.000 0.936 407 K CA -0.383 55.926 56.287 0.037 0.000 0.810 407 K CB 2.805 35.309 32.500 0.007 0.000 1.143 407 K HN 0.224 nan 8.250 nan 0.000 0.427 408 R N 2.344 122.847 120.500 0.005 0.000 2.502 408 R HA 0.258 4.598 4.340 -0.000 0.000 0.298 408 R C -1.013 175.188 176.300 -0.165 0.000 1.018 408 R CA -0.186 55.874 56.100 -0.067 0.000 0.899 408 R CB 1.214 31.573 30.300 0.098 0.000 1.181 408 R HN 0.674 nan 8.270 nan 0.000 0.444 409 Q N 0.000 119.602 119.800 -0.330 0.000 2.315 409 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 409 Q CA 0.000 55.670 55.803 -0.222 0.000 1.022 409 Q CB 0.000 28.632 28.738 -0.176 0.000 1.108 409 Q HN 0.000 nan 8.270 nan 0.000 0.481