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 2uzz_1_D DATA FIRST_RESID 2 DATA SEQUENCE KYDLIIIGSG SVGAAAGYYA TRAGLNVLMT DAHMPPHQHG SHHGDTRLIR DATA SEQUENCE HAYGEGEKYV PLVLRAQMLW DELSRHNEDD PIFVRSGVIN LGPADSTFLA DATA SEQUENCE NVAHSAEQWQ LNVEKLDAQG IMARWPEIRV PDNYIGLFET DSGFLRSELA DATA SEQUENCE IKTWIQLAKE AGCAQLFNCP VTAIRHDDDG VTIETADGEY QAKKAIVCAG DATA SEQUENCE TWVKDLLPEL PVQPVRKVFA WYQADGRYSV KNKFPAFTGE LPNGDQYYGF DATA SEQUENCE PAENDALKIG KHNGGQVIHS ADERVPFAEV VSDGSEAFPF LRNVLPGIGC DATA SEQUENCE CLYGAACTYD NSPDEDFIID TLPGHDNTLL ITGLSGHGFK FASVLGEIAA DATA SEQUENCE DFAQDKKSDF DLTPFRLSRF 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 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.348 176.600 -0.420 0.000 0.988 2 K CA 0.000 56.158 56.287 -0.215 0.000 0.838 2 K CB 0.000 32.383 32.500 -0.196 0.000 1.064 3 Y N 0.759 121.069 120.300 0.017 0.000 2.602 3 Y HA 0.353 4.904 4.550 0.002 0.000 0.342 3 Y C 0.401 176.298 175.900 -0.004 0.000 1.029 3 Y CA -0.841 57.260 58.100 0.003 0.000 1.080 3 Y CB 1.936 40.395 38.460 -0.001 0.000 1.284 3 Y HN -0.107 nan 8.280 nan 0.000 0.485 4 D N 0.560 121.064 120.400 0.173 0.000 2.213 4 D HA 0.042 4.683 4.640 0.002 0.000 0.205 4 D C -0.474 175.864 176.300 0.064 0.000 0.961 4 D CA 1.348 55.395 54.000 0.077 0.000 0.853 4 D CB 0.672 41.497 40.800 0.042 0.000 0.967 4 D HN 0.191 nan 8.370 nan 0.000 0.496 5 L N 0.270 121.541 121.223 0.080 0.000 2.505 5 L HA 0.392 4.733 4.340 0.002 0.000 0.259 5 L C -1.758 175.099 176.870 -0.022 0.000 0.952 5 L CA -0.495 54.364 54.840 0.033 0.000 0.840 5 L CB 2.500 44.568 42.059 0.014 0.000 1.358 5 L HN -0.256 nan 8.230 nan 0.000 0.409 6 I N 4.904 125.459 120.570 -0.025 0.000 2.433 6 I HA 0.475 4.646 4.170 0.002 0.000 0.292 6 I C -0.742 175.347 176.117 -0.048 0.000 1.001 6 I CA -0.465 60.779 61.300 -0.092 0.000 1.119 6 I CB 1.884 39.843 38.000 -0.068 0.000 1.289 6 I HN 0.422 nan 8.210 nan 0.000 0.438 7 I N 6.597 127.127 120.570 -0.068 0.000 2.328 7 I HA 0.214 4.385 4.170 0.002 0.000 0.287 7 I C 0.755 176.871 176.117 -0.003 0.000 1.012 7 I CA -0.283 61.004 61.300 -0.021 0.000 1.195 7 I CB 1.601 39.590 38.000 -0.018 0.000 1.350 7 I HN 0.585 nan 8.210 nan 0.000 0.464 8 I N 4.625 125.205 120.570 0.017 0.000 2.202 8 I HA -0.059 4.112 4.170 0.002 0.000 0.242 8 I C 1.653 177.810 176.117 0.068 0.000 1.091 8 I CA 1.130 62.452 61.300 0.036 0.000 1.368 8 I CB -0.071 37.953 38.000 0.040 0.000 1.058 8 I HN 0.638 nan 8.210 nan 0.000 0.410 9 G N -0.089 108.755 108.800 0.073 0.000 3.565 9 G HA2 0.347 4.308 3.960 0.002 0.000 0.346 9 G HA3 0.347 4.308 3.960 0.002 0.000 0.346 9 G C 0.086 175.043 174.900 0.096 0.000 1.363 9 G CA -0.217 44.947 45.100 0.108 0.000 1.134 9 G HN 0.205 nan 8.290 nan 0.000 0.471 10 S N 1.394 117.160 115.700 0.110 0.000 4.085 10 S HA 0.385 4.856 4.470 0.002 0.000 0.189 10 S C 1.217 175.834 174.600 0.029 0.000 1.392 10 S CA -0.150 58.099 58.200 0.080 0.000 0.972 10 S CB 0.692 64.001 63.200 0.181 0.000 1.482 10 S HN 0.563 nan 8.310 nan 0.000 0.446 11 G N 2.183 111.021 108.800 0.062 0.000 3.387 11 G HA2 0.275 4.236 3.960 0.002 0.000 0.195 11 G HA3 0.275 4.236 3.960 0.002 0.000 0.195 11 G C 1.233 176.157 174.900 0.040 0.000 1.853 11 G CA 0.115 45.243 45.100 0.047 0.000 0.879 11 G HN 0.632 nan 8.290 nan 0.000 0.651 12 S N -0.667 115.132 115.700 0.165 0.000 2.406 12 S HA 0.007 4.478 4.470 0.002 0.000 0.224 12 S C 2.230 176.883 174.600 0.089 0.000 1.030 12 S CA 1.191 59.560 58.200 0.281 0.000 0.958 12 S CB -0.134 63.390 63.200 0.539 0.000 0.811 12 S HN 0.127 nan 8.310 nan 0.000 0.489 13 V N 2.285 122.201 119.914 0.004 0.000 2.446 13 V HA 0.101 4.221 4.120 0.002 0.000 0.244 13 V C 2.851 178.849 176.094 -0.160 0.000 1.039 13 V CA 1.573 63.806 62.300 -0.113 0.000 1.045 13 V CB -1.521 30.245 31.823 -0.094 0.000 0.681 13 V HN 0.599 nan 8.190 nan 0.000 0.459 14 G N 0.147 108.899 108.800 -0.079 0.000 2.459 14 G HA2 -0.247 3.714 3.960 0.002 0.000 0.217 14 G HA3 -0.247 3.714 3.960 0.002 0.000 0.217 14 G C 1.802 176.619 174.900 -0.138 0.000 1.183 14 G CA 1.183 46.240 45.100 -0.070 0.000 0.776 14 G HN 0.580 nan 8.290 nan 0.000 0.552 15 A N 1.206 123.947 122.820 -0.133 0.000 1.908 15 A HA 0.160 4.481 4.320 0.002 0.000 0.218 15 A C 2.846 180.068 177.584 -0.602 0.000 1.181 15 A CA 2.563 54.510 52.037 -0.150 0.000 0.627 15 A CB -0.920 18.140 19.000 0.099 0.000 0.818 15 A HN 0.904 nan 8.150 nan 0.000 0.445 16 A N -0.090 122.033 122.820 -1.161 0.000 1.865 16 A HA 0.080 4.401 4.320 0.002 0.000 0.217 16 A C 2.551 179.701 177.584 -0.724 0.000 1.191 16 A CA 2.493 53.479 52.037 -1.752 0.000 0.623 16 A CB -1.206 16.909 19.000 -1.474 0.000 0.826 16 A HN 1.207 nan 8.150 nan 0.000 0.444 17 A N -0.735 121.865 122.820 -0.367 0.000 1.978 17 A HA 0.111 4.432 4.320 0.002 0.000 0.220 17 A C 2.360 179.871 177.584 -0.121 0.000 1.170 17 A CA 2.022 53.975 52.037 -0.139 0.000 0.636 17 A CB -1.300 17.645 19.000 -0.093 0.000 0.810 17 A HN 0.739 nan 8.150 nan 0.000 0.448 18 G N -1.438 107.266 108.800 -0.160 0.000 2.414 18 G HA2 -0.225 3.736 3.960 0.002 0.000 0.215 18 G HA3 -0.225 3.736 3.960 0.002 0.000 0.215 18 G C 1.559 176.418 174.900 -0.069 0.000 1.188 18 G CA 1.194 46.245 45.100 -0.082 0.000 0.783 18 G HN 0.615 nan 8.290 nan 0.000 0.537 19 Y N 0.477 120.621 120.300 -0.260 0.000 2.145 19 Y HA -0.156 4.395 4.550 0.001 0.000 0.286 19 Y C 2.560 178.362 175.900 -0.162 0.000 1.145 19 Y CA 1.630 59.593 58.100 -0.227 0.000 1.148 19 Y CB -0.497 37.789 38.460 -0.291 0.000 0.981 19 Y HN 0.318 nan 8.280 nan 0.000 0.507 20 Y N -0.335 119.745 120.300 -0.367 0.000 2.224 20 Y HA -0.194 4.357 4.550 0.001 0.000 0.289 20 Y C 2.691 178.426 175.900 -0.274 0.000 1.146 20 Y CA 0.627 58.490 58.100 -0.394 0.000 1.182 20 Y CB -0.422 37.901 38.460 -0.229 0.000 0.983 20 Y HN 0.288 nan 8.280 nan 0.000 0.524 21 A N -0.378 122.421 122.820 -0.035 0.000 1.897 21 A HA -0.147 4.174 4.320 0.002 0.000 0.215 21 A C 2.190 179.737 177.584 -0.061 0.000 1.181 21 A CA 2.033 54.047 52.037 -0.039 0.000 0.620 21 A CB -1.058 17.927 19.000 -0.025 0.000 0.821 21 A HN 0.358 nan 8.150 nan 0.000 0.443 22 T N -0.661 113.844 114.554 -0.083 0.000 2.777 22 T HA -0.110 4.241 4.350 0.002 0.000 0.266 22 T C 2.043 176.689 174.700 -0.089 0.000 1.040 22 T CA 1.327 63.389 62.100 -0.064 0.000 1.141 22 T CB -0.233 68.614 68.868 -0.035 0.000 0.868 22 T HN 0.575 nan 8.240 nan 0.000 0.444 23 R N 1.297 121.682 120.500 -0.192 0.000 2.120 23 R HA 0.015 4.356 4.340 0.002 0.000 0.234 23 R C 2.226 178.467 176.300 -0.099 0.000 1.123 23 R CA 1.357 57.341 56.100 -0.193 0.000 0.975 23 R CB -0.346 29.693 30.300 -0.434 0.000 0.866 23 R HN 0.357 nan 8.270 nan 0.000 0.446 24 A N -0.115 122.652 122.820 -0.088 0.000 2.235 24 A HA 0.204 4.525 4.320 0.002 0.000 0.208 24 A C 1.011 178.572 177.584 -0.038 0.000 1.172 24 A CA 0.687 52.692 52.037 -0.054 0.000 0.786 24 A CB -0.135 18.834 19.000 -0.052 0.000 0.804 24 A HN 0.584 nan 8.150 nan 0.000 0.479 25 G N -1.277 107.503 108.800 -0.034 0.000 2.325 25 G HA2 -0.070 3.891 3.960 0.002 0.000 0.248 25 G HA3 -0.070 3.891 3.960 0.002 0.000 0.248 25 G C -0.564 174.328 174.900 -0.013 0.000 1.108 25 G CA 0.024 45.113 45.100 -0.019 0.000 0.881 25 G HN 0.378 nan 8.290 nan 0.000 0.494 26 L N 0.259 121.476 121.223 -0.010 0.000 2.362 26 L HA 0.517 4.858 4.340 0.002 0.000 0.271 26 L C 0.366 177.254 176.870 0.029 0.000 1.002 26 L CA -0.956 53.886 54.840 0.004 0.000 0.818 26 L CB 1.831 43.887 42.059 -0.005 0.000 1.298 26 L HN 0.256 nan 8.230 nan 0.000 0.420 27 N N 2.005 120.740 118.700 0.058 0.000 2.415 27 N HA 0.266 5.007 4.740 0.002 0.000 0.250 27 N C -1.271 174.374 175.510 0.225 0.000 1.127 27 N CA 0.051 53.176 53.050 0.126 0.000 0.945 27 N CB 0.625 39.170 38.487 0.097 0.000 1.196 27 N HN 0.263 nan 8.380 nan 0.000 0.499 28 V N 4.030 124.028 119.914 0.140 0.000 2.815 28 V HA 0.482 4.603 4.120 0.002 0.000 0.314 28 V C 0.082 176.002 176.094 -0.291 0.000 1.064 28 V CA -0.862 61.424 62.300 -0.024 0.000 0.952 28 V CB 2.555 34.352 31.823 -0.044 0.000 1.020 28 V HN 0.452 nan 8.190 nan 0.000 0.439 29 L N 4.029 124.906 121.223 -0.576 0.000 2.325 29 L HA 0.615 4.956 4.340 0.002 0.000 0.281 29 L C -0.833 175.817 176.870 -0.366 0.000 1.004 29 L CA -0.447 53.963 54.840 -0.717 0.000 0.823 29 L CB 1.558 42.884 42.059 -1.221 0.000 1.236 29 L HN 0.654 nan 8.230 nan 0.000 0.415 30 M N 4.462 123.905 119.600 -0.261 0.000 2.129 30 M HA 0.343 4.824 4.480 0.002 0.000 0.348 30 M C -0.072 176.200 176.300 -0.047 0.000 1.116 30 M CA -0.387 54.865 55.300 -0.080 0.000 1.022 30 M CB 1.730 34.368 32.600 0.064 0.000 1.599 30 M HN 0.540 nan 8.290 nan 0.000 0.449 31 T N -0.774 113.797 114.554 0.029 0.000 2.932 31 T HA 0.810 5.161 4.350 0.002 0.000 0.289 31 T C -0.960 173.871 174.700 0.219 0.000 1.039 31 T CA -0.733 61.416 62.100 0.082 0.000 1.024 31 T CB 2.483 71.332 68.868 -0.032 0.000 1.090 31 T HN 0.596 nan 8.240 nan 0.000 0.496 32 D N -1.309 119.240 120.400 0.249 0.000 2.825 32 D HA 0.697 5.338 4.640 0.002 0.000 0.327 32 D C 0.487 176.833 176.300 0.077 0.000 1.277 32 D CA -0.205 53.911 54.000 0.193 0.000 0.950 32 D CB 1.303 42.222 40.800 0.198 0.000 1.438 32 D HN 0.666 nan 8.370 nan 0.000 0.526 33 A N -0.827 121.976 122.820 -0.029 0.000 2.140 33 A HA 0.271 4.592 4.320 0.002 0.000 0.209 33 A C 0.412 177.610 177.584 -0.643 0.000 1.181 33 A CA 0.699 52.516 52.037 -0.366 0.000 0.824 33 A CB -0.108 18.582 19.000 -0.516 0.000 0.879 33 A HN 0.517 nan 8.150 nan 0.000 0.480 34 H N -2.464 116.600 119.070 -0.010 0.000 3.766 34 H HA 0.409 4.966 4.556 0.002 0.000 0.346 34 H C -0.879 174.482 175.328 0.054 0.000 1.689 34 H CA -0.993 55.021 56.048 -0.057 0.000 1.205 34 H CB 0.046 29.604 29.762 -0.340 0.000 1.575 34 H HN 0.099 nan 8.280 nan 0.000 0.704 35 M N 2.791 122.545 119.600 0.257 0.000 2.206 35 M HA 0.187 4.668 4.480 0.002 0.000 0.353 35 M C -1.893 174.551 176.300 0.240 0.000 1.242 35 M CA -2.615 52.787 55.300 0.171 0.000 1.179 35 M CB 0.184 32.877 32.600 0.155 0.000 1.374 35 M HN 0.216 nan 8.290 nan 0.000 0.427 36 P HA -0.195 nan 4.420 nan 0.000 0.225 36 P C -1.832 175.309 177.300 -0.265 0.000 1.154 36 P CA 1.664 64.677 63.100 -0.145 0.000 0.933 36 P CB -1.235 30.154 31.700 -0.518 0.000 0.790 37 P HA 0.100 nan 4.420 nan 0.000 0.256 37 P C -0.450 176.912 177.300 0.104 0.000 1.689 37 P CA 0.381 63.405 63.100 -0.126 0.000 1.124 37 P CB -0.766 30.893 31.700 -0.068 0.000 1.766 38 H N -0.416 118.903 119.070 0.415 0.000 3.218 38 H HA 0.494 5.051 4.556 0.001 0.000 0.303 38 H C 0.608 175.893 175.328 -0.073 0.000 1.605 38 H CA -0.677 55.433 56.048 0.104 0.000 1.298 38 H CB 0.571 30.351 29.762 0.030 0.000 1.856 38 H HN -0.127 nan 8.280 nan 0.000 0.656 39 Q N -0.583 119.110 119.800 -0.178 0.000 2.281 39 Q HA 0.092 4.433 4.340 0.002 0.000 0.215 39 Q C 0.528 176.218 176.000 -0.516 0.000 0.867 39 Q CA 0.177 55.662 55.803 -0.530 0.000 0.940 39 Q CB 0.551 28.932 28.738 -0.594 0.000 1.111 39 Q HN 0.685 nan 8.270 nan 0.000 0.513 40 H N -0.504 118.570 119.070 0.006 0.000 2.539 40 H HA 0.262 4.819 4.556 0.001 0.000 0.269 40 H C 1.114 176.563 175.328 0.202 0.000 0.980 40 H CA 0.720 56.706 56.048 -0.103 0.000 1.152 40 H CB 0.558 29.913 29.762 -0.678 0.000 1.407 40 H HN 0.149 nan 8.280 nan 0.000 0.564 41 G N -0.245 108.757 108.800 0.338 0.000 2.782 41 G HA2 0.234 4.195 3.960 0.002 0.000 0.201 41 G HA3 0.234 4.195 3.960 0.002 0.000 0.201 41 G C 0.318 175.297 174.900 0.130 0.000 1.374 41 G CA -0.351 44.877 45.100 0.214 0.000 1.039 41 G HN 0.189 nan 8.290 nan 0.000 0.576 42 S N -0.675 115.016 115.700 -0.015 0.000 2.749 42 S HA 0.153 4.624 4.470 0.002 0.000 0.246 42 S C 0.685 175.250 174.600 -0.059 0.000 1.023 42 S CA -0.098 58.109 58.200 0.011 0.000 1.012 42 S CB 0.065 63.308 63.200 0.072 0.000 0.942 42 S HN 0.752 nan 8.310 nan 0.000 0.531 43 H N -0.320 118.770 119.070 0.034 0.000 2.827 43 H HA 0.315 4.873 4.556 0.002 0.000 0.269 43 H C 0.856 176.117 175.328 -0.112 0.000 1.031 43 H CA -0.450 55.560 56.048 -0.064 0.000 1.202 43 H CB -0.516 29.258 29.762 0.021 0.000 1.511 43 H HN 0.468 nan 8.280 nan 0.000 0.517 44 H N 1.068 120.110 119.070 -0.048 0.000 2.465 44 H HA 0.421 4.977 4.556 0.001 0.000 0.367 44 H C 0.758 176.202 175.328 0.193 0.000 1.737 44 H CA 0.188 56.276 56.048 0.066 0.000 1.447 44 H CB -0.162 29.600 29.762 -0.001 0.000 1.620 44 H HN 0.558 nan 8.280 nan 0.000 0.587 45 G N -0.166 108.856 108.800 0.369 0.000 2.795 45 G HA2 -0.282 3.679 3.960 0.002 0.000 0.664 45 G HA3 -0.282 3.679 3.960 0.002 0.000 0.664 45 G C 0.124 175.123 174.900 0.165 0.000 1.381 45 G CA 0.330 45.719 45.100 0.482 0.000 0.853 45 G HN 0.760 nan 8.290 nan 0.000 0.545 46 D N -0.670 119.829 120.400 0.165 0.000 2.149 46 D HA 0.162 4.803 4.640 0.002 0.000 0.206 46 D C 1.715 177.893 176.300 -0.203 0.000 0.967 46 D CA 2.207 56.204 54.000 -0.005 0.000 0.848 46 D CB 0.054 40.894 40.800 0.067 0.000 0.998 46 D HN 1.107 nan 8.370 nan 0.000 0.474 47 T N -1.586 112.697 114.554 -0.452 0.000 2.906 47 T HA 0.745 5.096 4.350 0.002 0.000 0.295 47 T C -0.382 173.903 174.700 -0.692 0.000 1.061 47 T CA -1.076 60.667 62.100 -0.594 0.000 1.000 47 T CB 2.651 70.959 68.868 -0.933 0.000 1.103 47 T HN -0.185 nan 8.240 nan 0.000 0.486 48 R N 0.997 121.307 120.500 -0.316 0.000 2.686 48 R HA 0.572 4.913 4.340 0.002 0.000 0.286 48 R C -1.025 175.442 176.300 0.277 0.000 0.969 48 R CA -1.026 55.023 56.100 -0.086 0.000 0.898 48 R CB 2.038 32.187 30.300 -0.252 0.000 1.183 48 R HN 0.679 nan 8.270 nan 0.000 0.456 49 L N 2.250 123.643 121.223 0.282 0.000 2.395 49 L HA 0.475 4.816 4.340 0.002 0.000 0.269 49 L C -0.044 176.872 176.870 0.076 0.000 1.133 49 L CA 0.006 54.923 54.840 0.127 0.000 0.812 49 L CB 0.641 42.606 42.059 -0.157 0.000 1.125 49 L HN 0.619 nan 8.230 nan 0.000 0.452 50 I N 4.091 124.688 120.570 0.045 0.000 2.478 50 I HA 0.479 4.650 4.170 0.002 0.000 0.287 50 I C -0.988 175.065 176.117 -0.107 0.000 1.042 50 I CA -0.419 60.860 61.300 -0.036 0.000 1.067 50 I CB 0.723 38.661 38.000 -0.102 0.000 1.233 50 I HN 0.630 nan 8.210 nan 0.000 0.431 51 R N 5.025 125.488 120.500 -0.062 0.000 2.803 51 R HA 0.528 4.869 4.340 0.002 0.000 0.276 51 R C -0.418 175.886 176.300 0.007 0.000 0.978 51 R CA -0.594 55.459 56.100 -0.079 0.000 0.939 51 R CB 1.926 32.263 30.300 0.062 0.000 1.179 51 R HN 0.714 nan 8.270 nan 0.000 0.472 52 H N 0.383 119.488 119.070 0.058 0.000 2.348 52 H HA 0.244 4.801 4.556 0.002 0.000 0.306 52 H C 0.340 175.710 175.328 0.070 0.000 1.034 52 H CA 0.074 56.128 56.048 0.011 0.000 1.395 52 H CB 0.342 30.087 29.762 -0.029 0.000 1.495 52 H HN 0.573 nan 8.280 nan 0.000 0.616 53 A N 1.738 124.672 122.820 0.191 0.000 2.770 53 A HA 0.000 4.321 4.320 0.002 0.000 0.292 53 A C -1.040 176.607 177.584 0.105 0.000 1.604 53 A CA 0.248 52.367 52.037 0.136 0.000 1.271 53 A CB -1.494 17.562 19.000 0.093 0.000 1.075 53 A HN 0.318 nan 8.150 nan 0.000 0.573 54 Y N 1.245 121.516 120.300 -0.048 0.000 2.377 54 Y HA 0.377 4.928 4.550 0.002 0.000 0.330 54 Y C 1.459 177.193 175.900 -0.276 0.000 1.108 54 Y CA 0.668 58.700 58.100 -0.114 0.000 1.308 54 Y CB 1.426 39.883 38.460 -0.004 0.000 1.216 54 Y HN 0.516 nan 8.280 nan 0.000 0.518 55 G N 2.596 110.898 108.800 -0.830 0.000 2.887 55 G HA2 -0.028 3.933 3.960 0.002 0.000 0.211 55 G HA3 -0.028 3.933 3.960 0.002 0.000 0.211 55 G C 1.021 175.460 174.900 -0.769 0.000 1.152 55 G CA 0.045 44.331 45.100 -1.357 0.000 0.769 55 G HN 0.622 nan 8.290 nan 0.000 0.541 56 E N -0.154 119.754 120.200 -0.486 0.000 2.216 56 E HA 0.341 4.692 4.350 0.002 0.000 0.192 56 E C 1.136 177.779 176.600 0.071 0.000 0.988 56 E CA 0.930 57.221 56.400 -0.181 0.000 0.834 56 E CB 0.342 29.795 29.700 -0.412 0.000 0.772 56 E HN 0.381 nan 8.360 nan 0.000 0.479 57 G N -0.449 108.468 108.800 0.194 0.000 2.402 57 G HA2 -0.013 3.948 3.960 0.002 0.000 0.301 57 G HA3 -0.013 3.948 3.960 0.002 0.000 0.301 57 G C -0.356 174.726 174.900 0.304 0.000 1.615 57 G CA -0.514 44.739 45.100 0.256 0.000 0.889 57 G HN -0.018 nan 8.290 nan 0.000 0.647 58 E N 0.319 120.639 120.200 0.200 0.000 2.204 58 E HA -0.156 4.195 4.350 0.002 0.000 0.195 58 E C 2.211 178.898 176.600 0.144 0.000 0.990 58 E CA 1.506 58.046 56.400 0.235 0.000 0.821 58 E CB -0.060 29.817 29.700 0.294 0.000 0.750 58 E HN 0.584 nan 8.360 nan 0.000 0.477 59 K N -0.758 119.667 120.400 0.042 0.000 2.360 59 K HA -0.168 4.153 4.320 0.002 0.000 0.201 59 K C 1.293 177.794 176.600 -0.165 0.000 1.046 59 K CA 1.294 57.503 56.287 -0.129 0.000 0.945 59 K CB -0.259 32.013 32.500 -0.381 0.000 0.750 59 K HN 0.236 nan 8.250 nan 0.000 0.464 60 Y N 1.049 121.335 120.300 -0.023 0.000 2.448 60 Y HA -0.023 4.528 4.550 0.001 0.000 0.289 60 Y C 2.340 178.136 175.900 -0.174 0.000 1.114 60 Y CA 0.054 58.093 58.100 -0.101 0.000 1.235 60 Y CB 0.073 38.397 38.460 -0.226 0.000 1.045 60 Y HN -0.194 nan 8.280 nan 0.000 0.554 61 V N 1.764 121.568 119.914 -0.183 0.000 2.252 61 V HA -0.267 3.854 4.120 0.002 0.000 0.249 61 V C -0.313 175.423 176.094 -0.597 0.000 1.056 61 V CA 2.126 64.125 62.300 -0.501 0.000 1.022 61 V CB -1.989 29.264 31.823 -0.951 0.000 0.641 61 V HN 0.286 nan 8.190 nan 0.000 0.445 62 P HA -0.121 nan 4.420 nan 0.000 0.218 62 P C 1.742 178.977 177.300 -0.109 0.000 1.149 62 P CA 1.325 64.284 63.100 -0.236 0.000 0.817 62 P CB -0.005 31.767 31.700 0.120 0.000 0.785 63 L N -0.520 120.543 121.223 -0.268 0.000 2.044 63 L HA -0.067 4.274 4.340 0.002 0.000 0.205 63 L C 2.846 179.607 176.870 -0.182 0.000 1.075 63 L CA 1.338 55.883 54.840 -0.491 0.000 0.747 63 L CB -1.696 40.132 42.059 -0.385 0.000 0.903 63 L HN -0.154 nan 8.230 nan 0.000 0.435 64 V N -0.795 119.073 119.914 -0.078 0.000 2.626 64 V HA -0.213 3.907 4.120 0.002 0.000 0.252 64 V C 2.358 178.326 176.094 -0.210 0.000 1.067 64 V CA 1.225 63.367 62.300 -0.262 0.000 1.081 64 V CB -0.012 31.539 31.823 -0.454 0.000 0.686 64 V HN 0.274 nan 8.190 nan 0.000 0.468 65 L N -0.060 121.028 121.223 -0.225 0.000 2.046 65 L HA -0.056 4.285 4.340 0.002 0.000 0.208 65 L C 2.639 179.431 176.870 -0.129 0.000 1.077 65 L CA 1.813 56.509 54.840 -0.241 0.000 0.747 65 L CB -0.978 40.948 42.059 -0.222 0.000 0.896 65 L HN 0.210 nan 8.230 nan 0.000 0.432 66 R N -0.539 119.930 120.500 -0.051 0.000 2.092 66 R HA -0.032 4.309 4.340 0.002 0.000 0.231 66 R C 2.106 178.373 176.300 -0.054 0.000 1.119 66 R CA 1.250 57.361 56.100 0.018 0.000 0.970 66 R CB -0.435 29.986 30.300 0.202 0.000 0.864 66 R HN 0.385 nan 8.270 nan 0.000 0.440 67 A N 0.658 123.420 122.820 -0.096 0.000 1.858 67 A HA -0.245 4.076 4.320 0.002 0.000 0.216 67 A C 2.111 179.674 177.584 -0.036 0.000 1.190 67 A CA 1.734 53.696 52.037 -0.125 0.000 0.617 67 A CB -0.638 18.325 19.000 -0.061 0.000 0.827 67 A HN 0.316 nan 8.150 nan 0.000 0.443 68 Q N -0.489 119.347 119.800 0.060 0.000 2.133 68 Q HA -0.209 4.132 4.340 0.002 0.000 0.208 68 Q C 2.027 178.028 176.000 0.002 0.000 0.991 68 Q CA 2.373 58.211 55.803 0.058 0.000 0.867 68 Q CB -0.442 28.235 28.738 -0.101 0.000 0.911 68 Q HN 0.674 nan 8.270 nan 0.000 0.417 69 M N -0.834 118.746 119.600 -0.034 0.000 2.073 69 M HA -0.233 4.248 4.480 0.002 0.000 0.258 69 M C 1.949 178.261 176.300 0.020 0.000 1.070 69 M CA 1.684 56.978 55.300 -0.010 0.000 1.103 69 M CB -0.295 32.297 32.600 -0.015 0.000 1.321 69 M HN 0.307 nan 8.290 nan 0.000 0.405 70 L N -2.212 118.997 121.223 -0.024 0.000 2.156 70 L HA -0.182 4.159 4.340 0.002 0.000 0.208 70 L C 2.076 178.955 176.870 0.015 0.000 1.095 70 L CA 1.175 56.015 54.840 0.000 0.000 0.770 70 L CB -0.623 41.402 42.059 -0.057 0.000 0.914 70 L HN 0.445 nan 8.230 nan 0.000 0.439 71 W N 0.732 122.062 121.300 0.050 0.000 2.363 71 W HA -0.170 4.491 4.660 0.002 0.000 0.296 71 W C 2.306 178.831 176.519 0.010 0.000 1.212 71 W CA 0.386 57.728 57.345 -0.005 0.000 1.260 71 W CB -0.182 29.215 29.460 -0.105 0.000 1.131 71 W HN 0.154 nan 8.180 nan 0.000 0.530 72 D N 0.257 120.782 120.400 0.209 0.000 2.144 72 D HA -0.163 4.478 4.640 0.002 0.000 0.199 72 D C 1.759 178.140 176.300 0.135 0.000 0.984 72 D CA 1.384 55.480 54.000 0.161 0.000 0.834 72 D CB -0.465 40.397 40.800 0.103 0.000 0.955 72 D HN 0.374 nan 8.370 nan 0.000 0.465 73 E N 0.469 120.748 120.200 0.132 0.000 2.072 73 E HA -0.080 4.271 4.350 0.002 0.000 0.191 73 E C 2.329 179.026 176.600 0.161 0.000 0.985 73 E CA 0.154 56.634 56.400 0.134 0.000 0.801 73 E CB -0.028 29.780 29.700 0.179 0.000 0.750 73 E HN 0.241 nan 8.360 nan 0.000 0.452 74 L N 0.716 122.039 121.223 0.165 0.000 2.027 74 L HA -0.146 4.194 4.340 0.002 0.000 0.206 74 L C 2.583 179.509 176.870 0.093 0.000 1.074 74 L CA 1.000 55.894 54.840 0.091 0.000 0.745 74 L CB -0.213 41.796 42.059 -0.084 0.000 0.898 74 L HN 0.113 nan 8.230 nan 0.000 0.433 75 S N -0.529 115.248 115.700 0.128 0.000 2.419 75 S HA -0.230 4.241 4.470 0.002 0.000 0.235 75 S C 1.944 176.585 174.600 0.068 0.000 1.019 75 S CA 1.197 59.461 58.200 0.107 0.000 0.982 75 S CB -0.171 63.127 63.200 0.163 0.000 0.789 75 S HN 0.319 nan 8.310 nan 0.000 0.490 76 R N 0.120 120.650 120.500 0.051 0.000 2.148 76 R HA 0.058 4.399 4.340 0.002 0.000 0.227 76 R C 2.020 178.277 176.300 -0.071 0.000 1.103 76 R CA 1.206 57.294 56.100 -0.020 0.000 0.983 76 R CB -0.309 29.953 30.300 -0.062 0.000 0.874 76 R HN 0.506 nan 8.270 nan 0.000 0.451 77 H N -1.256 117.807 119.070 -0.012 0.000 2.524 77 H HA 0.033 4.590 4.556 0.002 0.000 0.282 77 H C 0.020 175.331 175.328 -0.028 0.000 1.016 77 H CA 0.787 56.818 56.048 -0.028 0.000 1.270 77 H CB 0.252 29.968 29.762 -0.077 0.000 1.394 77 H HN 0.032 nan 8.280 nan 0.000 0.568 78 N N 1.061 119.805 118.700 0.073 0.000 2.609 78 N HA -0.026 4.715 4.740 0.002 0.000 0.268 78 N C 0.816 176.338 175.510 0.020 0.000 1.106 78 N CA -0.182 52.890 53.050 0.036 0.000 0.823 78 N CB 1.044 39.541 38.487 0.017 0.000 1.263 78 N HN 0.218 nan 8.380 nan 0.000 0.533 79 E N 1.254 121.463 120.200 0.015 0.000 2.216 79 E HA -0.137 4.214 4.350 0.002 0.000 0.192 79 E C 0.406 177.009 176.600 0.006 0.000 0.988 79 E CA 0.614 57.019 56.400 0.009 0.000 0.834 79 E CB 0.188 29.892 29.700 0.007 0.000 0.772 79 E HN 0.494 nan 8.360 nan 0.000 0.479 80 D N 1.428 121.832 120.400 0.007 0.000 2.097 80 D HA -0.117 4.524 4.640 0.002 0.000 0.195 80 D C -0.383 175.918 176.300 0.002 0.000 0.989 80 D CA 1.191 55.194 54.000 0.005 0.000 0.827 80 D CB 0.086 40.890 40.800 0.006 0.000 0.966 80 D HN 0.024 nan 8.370 nan 0.000 0.456 81 D N -0.722 119.678 120.400 0.000 0.000 2.505 81 D HA 0.327 4.968 4.640 0.002 0.000 0.250 81 D C -2.596 173.699 176.300 -0.008 0.000 1.164 81 D CA -1.614 52.384 54.000 -0.004 0.000 0.870 81 D CB 1.957 42.755 40.800 -0.004 0.000 1.160 81 D HN -0.031 nan 8.370 nan 0.000 0.549 82 P HA 0.158 nan 4.420 nan 0.000 0.268 82 P C 0.493 177.774 177.300 -0.032 0.000 1.204 82 P CA -0.085 62.997 63.100 -0.030 0.000 0.768 82 P CB 0.975 32.627 31.700 -0.080 0.000 0.842 83 I N 2.026 122.597 120.570 0.002 0.000 2.277 83 I HA -0.050 4.121 4.170 0.002 0.000 0.243 83 I C 1.036 177.151 176.117 -0.002 0.000 1.094 83 I CA 0.928 62.231 61.300 0.006 0.000 1.393 83 I CB -0.103 37.920 38.000 0.038 0.000 1.078 83 I HN 0.258 nan 8.210 nan 0.000 0.417 84 F N 2.083 121.958 119.950 -0.126 0.000 2.385 84 F HA 0.488 5.015 4.527 0.001 0.000 0.360 84 F C -0.472 175.173 175.800 -0.258 0.000 1.122 84 F CA -0.978 56.895 58.000 -0.211 0.000 1.090 84 F CB 0.689 39.612 39.000 -0.129 0.000 1.150 84 F HN -0.404 nan 8.300 nan 0.000 0.472 85 V N 7.750 126.985 119.914 -1.131 0.000 2.350 85 V HA 0.320 4.441 4.120 0.002 0.000 0.276 85 V C 0.387 175.609 176.094 -1.455 0.000 1.028 85 V CA -0.812 60.776 62.300 -1.186 0.000 0.860 85 V CB 1.112 32.233 31.823 -1.171 0.000 0.990 85 V HN 0.689 nan 8.190 nan 0.000 0.453 86 R N 3.252 123.057 120.500 -1.159 0.000 3.247 86 R HA 0.080 4.421 4.340 0.002 0.000 0.212 86 R C 1.547 177.668 176.300 -0.299 0.000 1.604 86 R CA 0.456 56.132 56.100 -0.706 0.000 1.279 86 R CB 0.053 30.165 30.300 -0.312 0.000 1.277 86 R HN 0.915 nan 8.270 nan 0.000 0.669 87 S N 1.517 117.067 115.700 -0.250 0.000 2.446 87 S HA 0.090 4.561 4.470 0.002 0.000 0.225 87 S C 0.864 175.536 174.600 0.120 0.000 1.016 87 S CA 0.289 58.504 58.200 0.026 0.000 0.943 87 S CB 0.084 63.426 63.200 0.238 0.000 0.786 87 S HN 0.709 nan 8.310 nan 0.000 0.508 88 G N 0.001 108.836 108.800 0.057 0.000 2.862 88 G HA2 -0.029 3.932 3.960 0.002 0.000 0.686 88 G HA3 -0.029 3.932 3.960 0.002 0.000 0.686 88 G C -0.877 174.087 174.900 0.106 0.000 1.134 88 G CA -0.482 44.644 45.100 0.043 0.000 0.791 88 G HN 0.870 nan 8.290 nan 0.000 0.592 89 V N 4.259 124.173 119.914 0.000 0.000 2.459 89 V HA 0.651 4.772 4.120 0.002 0.000 0.295 89 V C 0.488 176.677 176.094 0.158 0.000 1.029 89 V CA -1.085 61.240 62.300 0.041 0.000 0.874 89 V CB 1.801 33.601 31.823 -0.038 0.000 0.985 89 V HN 0.802 nan 8.190 nan 0.000 0.438 90 I N 4.692 125.369 120.570 0.179 0.000 2.362 90 I HA 0.471 4.642 4.170 0.002 0.000 0.289 90 I C -0.530 175.673 176.117 0.144 0.000 0.994 90 I CA -0.465 60.965 61.300 0.216 0.000 1.158 90 I CB 1.561 39.504 38.000 -0.094 0.000 1.315 90 I HN 0.658 nan 8.210 nan 0.000 0.451 91 N N 7.911 126.711 118.700 0.168 0.000 2.414 91 N HA 0.501 5.242 4.740 0.002 0.000 0.256 91 N C -0.847 174.756 175.510 0.155 0.000 1.029 91 N CA -0.239 52.912 53.050 0.167 0.000 0.948 91 N CB 1.241 39.843 38.487 0.192 0.000 1.102 91 N HN 0.438 nan 8.380 nan 0.000 0.496 92 L N 1.164 122.478 121.223 0.152 0.000 2.330 92 L HA 0.915 5.256 4.340 0.002 0.000 0.271 92 L C 0.845 177.754 176.870 0.065 0.000 1.013 92 L CA -0.676 54.252 54.840 0.146 0.000 0.816 92 L CB 1.965 44.154 42.059 0.217 0.000 1.287 92 L HN 0.661 nan 8.230 nan 0.000 0.435 93 G N 1.079 109.789 108.800 -0.150 0.000 2.320 93 G HA2 0.259 4.220 3.960 0.002 0.000 0.297 93 G HA3 0.259 4.220 3.960 0.002 0.000 0.297 93 G C -3.314 170.877 174.900 -1.182 0.000 1.344 93 G CA -0.737 44.014 45.100 -0.581 0.000 0.851 93 G HN 0.275 nan 8.290 nan 0.000 0.567 94 P HA 0.364 nan 4.420 nan 0.000 0.272 94 P C 0.978 178.134 177.300 -0.240 0.000 1.223 94 P CA 0.690 63.440 63.100 -0.582 0.000 0.784 94 P CB 1.341 32.896 31.700 -0.242 0.000 0.923 95 A N 2.480 125.238 122.820 -0.104 0.000 1.972 95 A HA -0.190 4.131 4.320 0.002 0.000 0.219 95 A C 1.115 178.687 177.584 -0.019 0.000 1.169 95 A CA 2.047 54.063 52.037 -0.035 0.000 0.635 95 A CB -1.406 17.597 19.000 0.004 0.000 0.810 95 A HN 0.663 nan 8.150 nan 0.000 0.446 96 D N -0.360 120.028 120.400 -0.018 0.000 2.460 96 D HA 0.192 4.833 4.640 0.002 0.000 0.229 96 D C 0.444 176.745 176.300 0.002 0.000 1.170 96 D CA 0.369 54.369 54.000 -0.001 0.000 0.827 96 D CB -0.437 40.368 40.800 0.008 0.000 0.973 96 D HN 0.253 nan 8.370 nan 0.000 0.496 97 S N -1.735 113.963 115.700 -0.003 0.000 2.562 97 S HA 0.458 4.929 4.470 0.002 0.000 0.275 97 S C 1.626 176.256 174.600 0.050 0.000 1.281 97 S CA -0.095 58.118 58.200 0.023 0.000 1.045 97 S CB 1.159 64.372 63.200 0.021 0.000 0.962 97 S HN 0.292 nan 8.310 nan 0.000 0.503 98 T N 2.322 116.912 114.554 0.060 0.000 2.788 98 T HA -0.039 4.312 4.350 0.002 0.000 0.268 98 T C 1.318 176.060 174.700 0.070 0.000 1.044 98 T CA 1.529 63.660 62.100 0.052 0.000 1.139 98 T CB -0.713 68.183 68.868 0.048 0.000 0.867 98 T HN 0.726 nan 8.240 nan 0.000 0.454 99 F N 1.384 121.308 119.950 -0.042 0.000 2.075 99 F HA 0.038 4.566 4.527 0.002 0.000 0.297 99 F C 2.083 177.856 175.800 -0.045 0.000 1.113 99 F CA 1.111 59.074 58.000 -0.062 0.000 1.218 99 F CB -0.192 38.756 39.000 -0.088 0.000 0.984 99 F HN 0.130 nan 8.300 nan 0.000 0.472 100 L N -0.117 121.197 121.223 0.151 0.000 2.201 100 L HA -0.165 4.176 4.340 0.002 0.000 0.212 100 L C 2.728 179.592 176.870 -0.010 0.000 1.105 100 L CA 0.836 55.710 54.840 0.056 0.000 0.775 100 L CB -1.212 40.906 42.059 0.099 0.000 0.913 100 L HN 0.281 nan 8.230 nan 0.000 0.440 101 A N 0.679 123.498 122.820 -0.002 0.000 1.908 101 A HA -0.224 4.097 4.320 0.002 0.000 0.218 101 A C 2.046 179.631 177.584 0.001 0.000 1.181 101 A CA 1.992 54.032 52.037 0.004 0.000 0.627 101 A CB -0.515 18.484 19.000 -0.001 0.000 0.818 101 A HN 0.430 nan 8.150 nan 0.000 0.445 102 N N 0.162 118.823 118.700 -0.066 0.000 2.166 102 N HA -0.107 4.634 4.740 0.002 0.000 0.186 102 N C 1.651 177.139 175.510 -0.036 0.000 1.019 102 N CA 1.524 54.541 53.050 -0.054 0.000 0.856 102 N CB -0.682 37.714 38.487 -0.151 0.000 0.993 102 N HN 0.268 nan 8.380 nan 0.000 0.426 103 V N 1.429 121.253 119.914 -0.149 0.000 2.343 103 V HA -0.194 3.927 4.120 0.002 0.000 0.247 103 V C 2.381 178.490 176.094 0.025 0.000 1.051 103 V CA 1.839 64.084 62.300 -0.093 0.000 1.036 103 V CB -0.970 30.773 31.823 -0.133 0.000 0.654 103 V HN 0.311 nan 8.190 nan 0.000 0.451 104 A N -0.700 122.146 122.820 0.045 0.000 1.897 104 A HA -0.253 4.068 4.320 0.002 0.000 0.215 104 A C 2.106 179.753 177.584 0.104 0.000 1.181 104 A CA 2.027 54.108 52.037 0.073 0.000 0.620 104 A CB -0.792 18.249 19.000 0.069 0.000 0.821 104 A HN 0.700 nan 8.150 nan 0.000 0.443 105 H N -0.090 119.001 119.070 0.035 0.000 2.389 105 H HA -0.024 4.533 4.556 0.002 0.000 0.299 105 H C 2.244 177.636 175.328 0.107 0.000 1.081 105 H CA 1.906 57.985 56.048 0.052 0.000 1.345 105 H CB 0.066 29.854 29.762 0.042 0.000 1.393 105 H HN 0.416 nan 8.280 nan 0.000 0.520 106 S N -0.228 115.596 115.700 0.206 0.000 2.387 106 S HA -0.059 4.412 4.470 0.002 0.000 0.226 106 S C 2.381 177.129 174.600 0.246 0.000 1.026 106 S CA 0.623 58.995 58.200 0.287 0.000 0.972 106 S CB -0.378 62.977 63.200 0.258 0.000 0.814 106 S HN 0.639 nan 8.310 nan 0.000 0.477 107 A N 1.509 124.416 122.820 0.146 0.000 1.908 107 A HA -0.178 4.143 4.320 0.002 0.000 0.218 107 A C 2.038 179.673 177.584 0.085 0.000 1.181 107 A CA 1.889 53.998 52.037 0.119 0.000 0.627 107 A CB -0.642 18.408 19.000 0.083 0.000 0.818 107 A HN 0.451 nan 8.150 nan 0.000 0.445 108 E N -0.430 119.783 120.200 0.022 0.000 2.047 108 E HA -0.177 4.174 4.350 0.002 0.000 0.191 108 E C 2.333 178.884 176.600 -0.082 0.000 0.987 108 E CA 1.517 57.894 56.400 -0.040 0.000 0.799 108 E CB -0.179 29.466 29.700 -0.092 0.000 0.752 108 E HN 0.687 nan 8.360 nan 0.000 0.449 109 Q N -0.898 118.818 119.800 -0.139 0.000 2.020 109 Q HA -0.151 4.190 4.340 0.002 0.000 0.202 109 Q C 1.432 177.254 176.000 -0.296 0.000 0.982 109 Q CA 1.198 56.820 55.803 -0.302 0.000 0.838 109 Q CB -0.200 28.254 28.738 -0.473 0.000 0.899 109 Q HN 0.483 nan 8.270 nan 0.000 0.423 110 W N 0.439 121.721 121.300 -0.031 0.000 3.388 110 W HA 0.094 4.755 4.660 0.001 0.000 0.324 110 W C 0.062 176.574 176.519 -0.012 0.000 1.250 110 W CA 0.157 57.495 57.345 -0.012 0.000 1.809 110 W CB 0.446 29.909 29.460 0.004 0.000 1.083 110 W HN 0.319 nan 8.180 nan 0.000 0.685 111 Q N 0.389 120.257 119.800 0.113 0.000 2.460 111 Q HA -0.200 4.141 4.340 0.002 0.000 0.311 111 Q C -0.385 175.671 176.000 0.094 0.000 1.396 111 Q CA 0.859 56.705 55.803 0.072 0.000 0.838 111 Q CB -1.959 26.806 28.738 0.044 0.000 1.140 111 Q HN 0.346 nan 8.270 nan 0.000 0.415 112 L N 0.228 121.518 121.223 0.112 0.000 2.357 112 L HA 0.285 4.626 4.340 0.002 0.000 0.273 112 L C 1.047 177.963 176.870 0.077 0.000 1.080 112 L CA -0.393 54.511 54.840 0.106 0.000 0.803 112 L CB 0.717 42.858 42.059 0.137 0.000 1.174 112 L HN 0.101 nan 8.230 nan 0.000 0.443 113 N N 1.504 120.245 118.700 0.068 0.000 2.819 113 N HA 0.198 4.939 4.740 0.002 0.000 0.284 113 N C -1.266 174.255 175.510 0.017 0.000 1.196 113 N CA -0.110 52.965 53.050 0.041 0.000 1.114 113 N CB 0.154 38.661 38.487 0.034 0.000 1.437 113 N HN 0.229 nan 8.380 nan 0.000 0.518 114 V N 2.103 122.039 119.914 0.036 0.000 2.540 114 V HA 0.265 4.386 4.120 0.002 0.000 0.302 114 V C -0.299 175.838 176.094 0.072 0.000 1.035 114 V CA -0.857 61.465 62.300 0.038 0.000 0.873 114 V CB 1.843 33.700 31.823 0.056 0.000 0.992 114 V HN 0.450 nan 8.190 nan 0.000 0.428 115 E N 3.040 123.310 120.200 0.115 0.000 2.109 115 E HA 0.318 4.668 4.350 0.002 0.000 0.278 115 E C -0.554 176.145 176.600 0.165 0.000 0.954 115 E CA -0.800 55.693 56.400 0.156 0.000 0.779 115 E CB 1.545 31.386 29.700 0.235 0.000 1.093 115 E HN 0.479 nan 8.360 nan 0.000 0.401 116 K N 3.704 124.174 120.400 0.116 0.000 2.378 116 K HA 0.116 4.437 4.320 0.002 0.000 0.288 116 K C -1.129 175.534 176.600 0.105 0.000 1.057 116 K CA -0.156 56.194 56.287 0.104 0.000 0.971 116 K CB 0.128 32.672 32.500 0.075 0.000 0.975 116 K HN 0.250 nan 8.250 nan 0.000 0.475 117 L N 3.661 124.957 121.223 0.122 0.000 2.334 117 L HA 0.427 4.768 4.340 0.002 0.000 0.273 117 L C -0.448 176.474 176.870 0.086 0.000 1.013 117 L CA -0.479 54.427 54.840 0.109 0.000 0.816 117 L CB 1.670 43.823 42.059 0.156 0.000 1.278 117 L HN 0.752 nan 8.230 nan 0.000 0.431 118 D N 1.057 121.492 120.400 0.058 0.000 2.329 118 D HA 0.355 4.996 4.640 0.002 0.000 0.246 118 D C 0.696 177.032 176.300 0.061 0.000 1.111 118 D CA 0.451 54.480 54.000 0.049 0.000 0.941 118 D CB 2.058 42.872 40.800 0.024 0.000 1.169 118 D HN 0.651 nan 8.370 nan 0.000 0.441 119 A N 2.646 125.504 122.820 0.064 0.000 1.865 119 A HA -0.208 4.113 4.320 0.002 0.000 0.217 119 A C 1.816 179.424 177.584 0.040 0.000 1.191 119 A CA 1.362 53.443 52.037 0.072 0.000 0.623 119 A CB -0.458 18.587 19.000 0.075 0.000 0.826 119 A HN 0.611 nan 8.150 nan 0.000 0.444 120 Q N -0.646 119.166 119.800 0.020 0.000 2.224 120 Q HA -0.083 4.258 4.340 0.002 0.000 0.203 120 Q C 2.113 178.103 176.000 -0.017 0.000 0.970 120 Q CA 1.282 57.084 55.803 -0.001 0.000 0.865 120 Q CB -0.652 28.082 28.738 -0.006 0.000 0.922 120 Q HN 0.685 nan 8.270 nan 0.000 0.445 121 G N 1.668 110.460 108.800 -0.013 0.000 2.403 121 G HA2 -0.147 3.814 3.960 0.002 0.000 0.216 121 G HA3 -0.147 3.814 3.960 0.002 0.000 0.216 121 G C 1.594 176.443 174.900 -0.084 0.000 1.154 121 G CA 0.705 45.776 45.100 -0.049 0.000 0.784 121 G HN 0.432 nan 8.290 nan 0.000 0.538 122 I N -1.675 118.896 120.570 0.001 0.000 2.202 122 I HA -0.028 4.143 4.170 0.002 0.000 0.242 122 I C 2.701 178.861 176.117 0.071 0.000 1.091 122 I CA 1.198 62.550 61.300 0.087 0.000 1.368 122 I CB -0.602 37.537 38.000 0.231 0.000 1.058 122 I HN 0.058 nan 8.210 nan 0.000 0.410 123 M N 1.599 121.220 119.600 0.036 0.000 2.202 123 M HA -0.120 4.360 4.480 0.002 0.000 0.262 123 M C 2.452 178.732 176.300 -0.033 0.000 1.063 123 M CA 2.069 57.377 55.300 0.013 0.000 1.097 123 M CB -0.404 32.192 32.600 -0.006 0.000 1.382 123 M HN 0.479 nan 8.290 nan 0.000 0.413 124 A N -0.524 122.250 122.820 -0.077 0.000 2.021 124 A HA -0.063 4.258 4.320 0.002 0.000 0.216 124 A C 2.141 179.603 177.584 -0.204 0.000 1.163 124 A CA 1.072 53.040 52.037 -0.114 0.000 0.676 124 A CB -0.378 18.560 19.000 -0.104 0.000 0.818 124 A HN 0.425 nan 8.150 nan 0.000 0.453 125 R N -1.658 118.641 120.500 -0.336 0.000 2.075 125 R HA 0.002 4.343 4.340 0.002 0.000 0.220 125 R C -0.342 175.534 176.300 -0.707 0.000 1.118 125 R CA 0.525 56.218 56.100 -0.678 0.000 0.986 125 R CB 0.104 29.689 30.300 -1.192 0.000 0.884 125 R HN 0.585 nan 8.270 nan 0.000 0.439 126 W N 0.919 122.141 121.300 -0.129 0.000 2.413 126 W HA 0.333 4.994 4.660 0.002 0.000 0.308 126 W C -2.401 174.072 176.519 -0.076 0.000 0.997 126 W CA -2.303 54.979 57.345 -0.106 0.000 1.447 126 W CB 1.250 30.608 29.460 -0.170 0.000 1.263 126 W HN 0.027 nan 8.180 nan 0.000 0.416 127 P HA -0.217 nan 4.420 nan 0.000 0.221 127 P C 1.411 178.728 177.300 0.028 0.000 1.145 127 P CA 1.886 65.002 63.100 0.026 0.000 0.795 127 P CB 0.322 32.015 31.700 -0.012 0.000 0.775 128 E N -0.717 119.509 120.200 0.043 0.000 2.481 128 E HA 0.013 4.364 4.350 0.002 0.000 0.195 128 E C 0.645 177.305 176.600 0.100 0.000 1.047 128 E CA 0.232 56.642 56.400 0.016 0.000 0.867 128 E CB -0.280 29.265 29.700 -0.257 0.000 0.858 128 E HN 0.328 nan 8.360 nan 0.000 0.513 129 I N 1.895 122.525 120.570 0.101 0.000 2.365 129 I HA 0.230 4.401 4.170 0.002 0.000 0.291 129 I C 0.112 176.207 176.117 -0.037 0.000 1.004 129 I CA -0.719 60.586 61.300 0.009 0.000 1.311 129 I CB 0.811 38.804 38.000 -0.012 0.000 1.401 129 I HN -0.235 nan 8.210 nan 0.000 0.491 130 R N 6.319 126.748 120.500 -0.118 0.000 2.412 130 R HA 0.507 4.848 4.340 0.002 0.000 0.304 130 R C -1.398 174.779 176.300 -0.205 0.000 1.066 130 R CA -0.522 55.498 56.100 -0.134 0.000 0.923 130 R CB 1.002 31.221 30.300 -0.136 0.000 1.156 130 R HN 0.485 nan 8.270 nan 0.000 0.513 131 V N 2.133 121.947 119.914 -0.166 0.000 2.667 131 V HA 0.784 4.905 4.120 0.002 0.000 0.308 131 V C -2.199 173.749 176.094 -0.242 0.000 1.048 131 V CA -2.565 59.587 62.300 -0.248 0.000 0.928 131 V CB 1.519 33.301 31.823 -0.069 0.000 1.004 131 V HN 0.571 nan 8.190 nan 0.000 0.444 132 P HA 0.172 nan 4.420 nan 0.000 0.271 132 P C 0.408 177.672 177.300 -0.060 0.000 1.233 132 P CA -0.092 62.870 63.100 -0.232 0.000 0.789 132 P CB 0.474 31.988 31.700 -0.310 0.000 0.951 133 D N 0.779 121.171 120.400 -0.015 0.000 2.219 133 D HA -0.179 4.462 4.640 0.002 0.000 0.205 133 D C 0.829 177.175 176.300 0.076 0.000 0.970 133 D CA 1.354 55.370 54.000 0.027 0.000 0.851 133 D CB -0.774 40.033 40.800 0.011 0.000 0.943 133 D HN 0.542 nan 8.370 nan 0.000 0.488 134 N N -1.043 117.724 118.700 0.112 0.000 2.467 134 N HA -0.135 4.605 4.740 0.002 0.000 0.184 134 N C 0.162 175.800 175.510 0.214 0.000 1.106 134 N CA -0.092 53.043 53.050 0.143 0.000 0.892 134 N CB -0.368 38.197 38.487 0.130 0.000 0.969 134 N HN 0.006 nan 8.380 nan 0.000 0.454 135 Y N 0.687 120.996 120.300 0.016 0.000 2.379 135 Y HA 0.405 4.956 4.550 0.001 0.000 0.337 135 Y C 0.329 176.250 175.900 0.035 0.000 1.238 135 Y CA -0.890 57.225 58.100 0.025 0.000 1.405 135 Y CB 0.534 39.001 38.460 0.012 0.000 1.310 135 Y HN -0.018 nan 8.280 nan 0.000 0.569 136 I N 1.071 121.675 120.570 0.056 0.000 2.656 136 I HA 0.521 4.692 4.170 0.002 0.000 0.292 136 I C -0.245 175.911 176.117 0.066 0.000 1.144 136 I CA -0.635 60.702 61.300 0.061 0.000 1.038 136 I CB 2.381 40.401 38.000 0.034 0.000 1.244 136 I HN 0.671 nan 8.210 nan 0.000 0.420 137 G N 5.978 114.843 108.800 0.109 0.000 2.495 137 G HA2 0.740 4.701 3.960 0.002 0.000 0.318 137 G HA3 0.740 4.701 3.960 0.002 0.000 0.318 137 G C -1.595 173.401 174.900 0.160 0.000 1.257 137 G CA -0.429 44.754 45.100 0.139 0.000 0.962 137 G HN 0.328 nan 8.290 nan 0.000 0.483 138 L N 1.847 123.174 121.223 0.172 0.000 2.319 138 L HA 0.436 4.777 4.340 0.002 0.000 0.281 138 L C -0.889 176.137 176.870 0.260 0.000 1.005 138 L CA -0.628 54.323 54.840 0.185 0.000 0.828 138 L CB 1.738 43.872 42.059 0.125 0.000 1.227 138 L HN 0.472 nan 8.230 nan 0.000 0.415 139 F N 3.238 123.259 119.950 0.118 0.000 2.385 139 F HA 0.413 4.941 4.527 0.001 0.000 0.360 139 F C 0.369 176.234 175.800 0.108 0.000 1.122 139 F CA -0.679 57.401 58.000 0.133 0.000 1.090 139 F CB 0.968 40.117 39.000 0.248 0.000 1.150 139 F HN 0.492 nan 8.300 nan 0.000 0.472 140 E N 3.718 123.704 120.200 -0.358 0.000 2.167 140 E HA 0.225 4.576 4.350 0.002 0.000 0.284 140 E C 0.260 176.425 176.600 -0.724 0.000 1.016 140 E CA -0.104 56.063 56.400 -0.389 0.000 0.817 140 E CB 1.196 30.791 29.700 -0.176 0.000 1.080 140 E HN 0.800 nan 8.360 nan 0.000 0.397 141 T N 2.998 117.230 114.554 -0.536 0.000 2.901 141 T HA -0.072 4.279 4.350 0.002 0.000 0.252 141 T C 0.727 175.343 174.700 -0.140 0.000 1.035 141 T CA 0.522 62.370 62.100 -0.420 0.000 1.142 141 T CB -0.011 68.741 68.868 -0.193 0.000 0.869 141 T HN 0.403 nan 8.240 nan 0.000 0.442 142 D N 1.515 121.896 120.400 -0.032 0.000 2.310 142 D HA 0.095 4.736 4.640 0.002 0.000 0.212 142 D C 1.314 177.708 176.300 0.157 0.000 0.965 142 D CA 0.354 54.425 54.000 0.117 0.000 0.879 142 D CB -0.156 40.761 40.800 0.196 0.000 0.921 142 D HN 0.229 nan 8.370 nan 0.000 0.510 143 S N -1.042 114.621 115.700 -0.062 0.000 2.625 143 S HA 0.584 5.055 4.470 0.002 0.000 0.258 143 S C 0.924 175.580 174.600 0.094 0.000 1.256 143 S CA 0.082 58.193 58.200 -0.149 0.000 0.983 143 S CB 1.138 64.166 63.200 -0.286 0.000 1.032 143 S HN 0.393 nan 8.310 nan 0.000 0.572 144 G N -0.531 108.333 108.800 0.108 0.000 2.564 144 G HA2 0.368 4.329 3.960 0.002 0.000 0.139 144 G HA3 0.368 4.329 3.960 0.002 0.000 0.139 144 G C -1.577 173.435 174.900 0.186 0.000 1.147 144 G CA -0.178 44.959 45.100 0.062 0.000 1.031 144 G HN 0.875 nan 8.290 nan 0.000 0.482 145 F N -1.010 118.975 119.950 0.059 0.000 2.726 145 F HA 0.930 5.458 4.527 0.002 0.000 0.324 145 F C -1.319 174.519 175.800 0.064 0.000 1.140 145 F CA -1.556 56.507 58.000 0.106 0.000 0.964 145 F CB 1.331 40.468 39.000 0.229 0.000 1.399 145 F HN 0.481 nan 8.300 nan 0.000 0.491 146 L N 1.826 123.221 121.223 0.286 0.000 2.408 146 L HA 0.549 4.890 4.340 0.002 0.000 0.268 146 L C -0.500 176.387 176.870 0.028 0.000 0.986 146 L CA -1.047 53.807 54.840 0.023 0.000 0.820 146 L CB 2.222 44.168 42.059 -0.188 0.000 1.303 146 L HN 0.544 nan 8.230 nan 0.000 0.411 147 R N 1.513 122.006 120.500 -0.012 0.000 2.429 147 R HA 0.099 4.440 4.340 0.002 0.000 0.302 147 R C 1.020 177.251 176.300 -0.115 0.000 1.268 147 R CA 0.009 56.084 56.100 -0.042 0.000 1.090 147 R CB 0.731 31.025 30.300 -0.010 0.000 1.102 147 R HN 0.857 nan 8.270 nan 0.000 0.522 148 S N 2.148 117.668 115.700 -0.300 0.000 2.355 148 S HA -0.189 4.282 4.470 0.002 0.000 0.222 148 S C 1.474 175.985 174.600 -0.148 0.000 1.031 148 S CA 0.818 58.699 58.200 -0.531 0.000 0.993 148 S CB -0.021 62.533 63.200 -1.077 0.000 0.859 148 S HN 0.574 nan 8.310 nan 0.000 0.453 149 E N 1.221 121.357 120.200 -0.107 0.000 2.051 149 E HA -0.043 4.308 4.350 0.002 0.000 0.192 149 E C 2.143 178.724 176.600 -0.032 0.000 0.991 149 E CA 1.156 57.535 56.400 -0.034 0.000 0.799 149 E CB -0.347 29.351 29.700 -0.003 0.000 0.748 149 E HN 0.419 nan 8.360 nan 0.000 0.449 150 L N 0.478 121.679 121.223 -0.037 0.000 2.042 150 L HA -0.216 4.125 4.340 0.002 0.000 0.210 150 L C 2.422 179.248 176.870 -0.072 0.000 1.076 150 L CA 1.146 55.959 54.840 -0.045 0.000 0.749 150 L CB -0.308 41.727 42.059 -0.041 0.000 0.893 150 L HN 0.161 nan 8.230 nan 0.000 0.432 151 A N 0.278 123.067 122.820 -0.052 0.000 1.908 151 A HA -0.223 4.098 4.320 0.002 0.000 0.218 151 A C 2.005 179.511 177.584 -0.130 0.000 1.181 151 A CA 1.682 53.620 52.037 -0.166 0.000 0.627 151 A CB -0.529 18.530 19.000 0.099 0.000 0.818 151 A HN 0.413 nan 8.150 nan 0.000 0.445 152 I N 0.075 120.702 120.570 0.095 0.000 2.179 152 I HA -0.213 3.958 4.170 0.002 0.000 0.242 152 I C 2.351 178.498 176.117 0.050 0.000 1.088 152 I CA 2.065 63.446 61.300 0.136 0.000 1.357 152 I CB -1.423 36.534 38.000 -0.072 0.000 1.051 152 I HN 0.357 nan 8.210 nan 0.000 0.409 153 K N 1.941 122.330 120.400 -0.019 0.000 2.044 153 K HA -0.193 4.128 4.320 0.002 0.000 0.210 153 K C 2.012 178.595 176.600 -0.028 0.000 1.049 153 K CA 2.686 58.959 56.287 -0.022 0.000 0.927 153 K CB -0.732 31.750 32.500 -0.029 0.000 0.713 153 K HN 0.504 nan 8.250 nan 0.000 0.443 154 T N -2.393 112.105 114.554 -0.093 0.000 2.904 154 T HA -0.085 4.266 4.350 0.002 0.000 0.267 154 T C 1.734 176.332 174.700 -0.170 0.000 1.059 154 T CA 0.700 62.703 62.100 -0.161 0.000 1.137 154 T CB -0.456 68.266 68.868 -0.243 0.000 0.879 154 T HN 0.215 nan 8.240 nan 0.000 0.467 155 W N 1.211 122.393 121.300 -0.197 0.000 2.379 155 W HA 0.161 4.821 4.660 0.001 0.000 0.307 155 W C 2.135 178.585 176.519 -0.115 0.000 1.200 155 W CA -0.603 56.592 57.345 -0.251 0.000 1.297 155 W CB -1.150 28.198 29.460 -0.187 0.000 1.140 155 W HN 0.222 nan 8.180 nan 0.000 0.507 156 I N 0.385 121.070 120.570 0.193 0.000 2.118 156 I HA -0.350 3.821 4.170 0.002 0.000 0.241 156 I C 2.575 178.772 176.117 0.133 0.000 1.070 156 I CA 1.923 63.326 61.300 0.173 0.000 1.327 156 I CB -1.043 37.044 38.000 0.145 0.000 1.034 156 I HN -0.088 nan 8.210 nan 0.000 0.405 157 Q N 0.096 119.939 119.800 0.072 0.000 2.119 157 Q HA -0.099 4.241 4.340 0.002 0.000 0.201 157 Q C 2.115 178.131 176.000 0.026 0.000 0.972 157 Q CA 1.621 57.451 55.803 0.044 0.000 0.847 157 Q CB -0.316 28.430 28.738 0.013 0.000 0.903 157 Q HN 0.512 nan 8.270 nan 0.000 0.433 158 L N -0.747 120.465 121.223 -0.019 0.000 2.109 158 L HA -0.064 4.276 4.340 0.002 0.000 0.207 158 L C 2.215 179.174 176.870 0.148 0.000 1.086 158 L CA 0.891 55.725 54.840 -0.010 0.000 0.760 158 L CB -0.586 41.317 42.059 -0.260 0.000 0.910 158 L HN 0.247 nan 8.230 nan 0.000 0.437 159 A N 0.125 123.049 122.820 0.174 0.000 1.898 159 A HA -0.234 4.087 4.320 0.002 0.000 0.216 159 A C 2.374 180.018 177.584 0.100 0.000 1.181 159 A CA 1.751 53.889 52.037 0.169 0.000 0.620 159 A CB -0.356 18.735 19.000 0.152 0.000 0.819 159 A HN 0.293 nan 8.150 nan 0.000 0.442 160 K N -0.177 120.276 120.400 0.089 0.000 2.057 160 K HA -0.176 4.145 4.320 0.002 0.000 0.207 160 K C 1.831 178.459 176.600 0.048 0.000 1.049 160 K CA 1.729 58.050 56.287 0.057 0.000 0.931 160 K CB -0.153 32.386 32.500 0.065 0.000 0.714 160 K HN 0.585 nan 8.250 nan 0.000 0.440 161 E N -0.275 119.960 120.200 0.057 0.000 2.152 161 E HA -0.090 4.260 4.350 0.002 0.000 0.192 161 E C 1.553 178.185 176.600 0.054 0.000 0.983 161 E CA 0.821 57.252 56.400 0.052 0.000 0.818 161 E CB 0.036 29.768 29.700 0.053 0.000 0.758 161 E HN 0.395 nan 8.360 nan 0.000 0.467 162 A N 0.095 122.956 122.820 0.067 0.000 2.239 162 A HA 0.194 4.515 4.320 0.002 0.000 0.209 162 A C 1.620 179.228 177.584 0.039 0.000 1.171 162 A CA 0.930 53.002 52.037 0.059 0.000 0.768 162 A CB -0.404 18.638 19.000 0.070 0.000 0.790 162 A HN 0.344 nan 8.150 nan 0.000 0.478 163 G N -2.308 106.514 108.800 0.036 0.000 2.163 163 G HA2 -0.211 3.750 3.960 0.002 0.000 0.213 163 G HA3 -0.211 3.750 3.960 0.002 0.000 0.213 163 G C 0.304 175.220 174.900 0.027 0.000 0.991 163 G CA -0.016 45.101 45.100 0.029 0.000 0.653 163 G HN 0.977 nan 8.290 nan 0.000 0.518 164 C N 1.764 121.076 119.300 0.020 0.000 2.601 164 C HA 0.750 5.211 4.460 0.002 0.000 0.409 164 C C 1.336 176.306 174.990 -0.033 0.000 1.293 164 C CA 0.440 59.459 59.018 0.001 0.000 2.101 164 C CB -0.312 27.425 27.740 -0.005 0.000 2.639 164 C HN 1.488 nan 8.230 nan 0.000 0.592 165 A N 5.685 128.474 122.820 -0.052 0.000 2.328 165 A HA 0.541 4.862 4.320 0.002 0.000 0.284 165 A C -0.362 177.063 177.584 -0.266 0.000 1.160 165 A CA -0.092 51.880 52.037 -0.110 0.000 0.818 165 A CB 0.231 19.223 19.000 -0.012 0.000 1.087 165 A HN 0.939 nan 8.150 nan 0.000 0.504 166 Q N 1.349 120.938 119.800 -0.353 0.000 2.303 166 Q HA 0.455 4.796 4.340 0.002 0.000 0.267 166 Q C -1.579 173.984 176.000 -0.727 0.000 1.011 166 Q CA -0.456 54.938 55.803 -0.683 0.000 0.740 166 Q CB 2.237 30.416 28.738 -0.931 0.000 1.250 166 Q HN 0.627 nan 8.270 nan 0.000 0.458 167 L N 3.198 124.056 121.223 -0.609 0.000 2.301 167 L HA 0.437 4.778 4.340 0.002 0.000 0.278 167 L C -1.017 175.738 176.870 -0.191 0.000 1.022 167 L CA 0.216 54.836 54.840 -0.368 0.000 0.854 167 L CB 0.155 42.032 42.059 -0.304 0.000 1.226 167 L HN 0.675 nan 8.230 nan 0.000 0.429 168 F N 1.555 121.491 119.950 -0.024 0.000 2.293 168 F HA 0.130 4.658 4.527 0.002 0.000 0.272 168 F C 1.363 177.158 175.800 -0.007 0.000 1.053 168 F CA 0.029 58.031 58.000 0.005 0.000 1.152 168 F CB 0.130 39.157 39.000 0.044 0.000 1.119 168 F HN 0.475 nan 8.300 nan 0.000 0.564 169 N N -0.152 118.672 118.700 0.207 0.000 2.586 169 N HA -0.040 4.701 4.740 0.002 0.000 0.206 169 N C -0.928 174.586 175.510 0.007 0.000 1.377 169 N CA 0.023 53.115 53.050 0.071 0.000 0.871 169 N CB -0.037 38.495 38.487 0.075 0.000 1.107 169 N HN 0.010 nan 8.380 nan 0.000 0.462 170 C N 1.558 120.872 119.300 0.024 0.000 2.357 170 C HA 0.392 4.853 4.460 0.002 0.000 0.300 170 C C -2.379 172.610 174.990 -0.001 0.000 1.074 170 C CA -2.496 56.529 59.018 0.011 0.000 1.566 170 C CB -0.772 26.991 27.740 0.038 0.000 1.791 170 C HN 0.239 nan 8.230 nan 0.000 0.415 171 P HA 0.029 nan 4.420 nan 0.000 0.264 171 P C -0.403 176.900 177.300 0.005 0.000 1.183 171 P CA 0.393 63.467 63.100 -0.044 0.000 0.763 171 P CB 0.471 32.120 31.700 -0.085 0.000 0.807 172 V N 3.663 123.591 119.914 0.023 0.000 2.455 172 V HA 0.039 4.160 4.120 0.002 0.000 0.273 172 V C 1.745 177.859 176.094 0.033 0.000 1.045 172 V CA 0.697 63.020 62.300 0.038 0.000 0.976 172 V CB 0.342 32.191 31.823 0.043 0.000 0.993 172 V HN 0.744 nan 8.190 nan 0.000 0.475 173 T N 1.779 116.351 114.554 0.029 0.000 3.009 173 T HA 0.446 4.797 4.350 0.002 0.000 0.258 173 T C 0.549 175.264 174.700 0.026 0.000 1.063 173 T CA 0.597 62.711 62.100 0.023 0.000 1.139 173 T CB 0.361 69.238 68.868 0.016 0.000 0.890 173 T HN 0.972 nan 8.240 nan 0.000 0.471 174 A N 0.115 122.949 122.820 0.023 0.000 2.612 174 A HA 0.728 5.049 4.320 0.002 0.000 0.293 174 A C -1.631 175.952 177.584 -0.001 0.000 1.075 174 A CA -1.000 51.047 52.037 0.016 0.000 0.680 174 A CB 1.114 20.122 19.000 0.012 0.000 1.279 174 A HN 0.375 nan 8.150 nan 0.000 0.411 175 I N 1.173 121.731 120.570 -0.020 0.000 2.406 175 I HA 0.523 4.694 4.170 0.002 0.000 0.290 175 I C 0.221 176.254 176.117 -0.141 0.000 0.999 175 I CA -0.433 60.815 61.300 -0.086 0.000 1.124 175 I CB 1.823 39.772 38.000 -0.085 0.000 1.289 175 I HN 0.701 nan 8.210 nan 0.000 0.441 176 R N 4.677 125.046 120.500 -0.218 0.000 2.854 176 R HA 0.586 4.927 4.340 0.002 0.000 0.271 176 R C -1.260 174.812 176.300 -0.380 0.000 0.996 176 R CA -0.736 55.254 56.100 -0.184 0.000 0.961 176 R CB 1.812 32.069 30.300 -0.072 0.000 1.182 176 R HN 0.593 nan 8.270 nan 0.000 0.479 177 H N 0.634 119.687 119.070 -0.029 0.000 2.768 177 H HA 0.247 4.804 4.556 0.001 0.000 0.371 177 H C -0.793 174.558 175.328 0.038 0.000 1.151 177 H CA -0.581 55.464 56.048 -0.005 0.000 1.165 177 H CB 2.329 32.078 29.762 -0.021 0.000 1.722 177 H HN 0.759 nan 8.280 nan 0.000 0.543 178 D N -0.244 120.264 120.400 0.180 0.000 3.237 178 D HA 0.109 4.750 4.640 0.002 0.000 0.227 178 D C 0.101 176.480 176.300 0.130 0.000 1.378 178 D CA -0.311 53.764 54.000 0.126 0.000 1.066 178 D CB 0.518 41.363 40.800 0.074 0.000 1.237 178 D HN 0.207 nan 8.370 nan 0.000 0.629 179 D N -1.324 119.129 120.400 0.089 0.000 2.338 179 D HA 0.095 4.735 4.640 0.002 0.000 0.224 179 D C 0.914 177.259 176.300 0.074 0.000 0.967 179 D CA 0.793 54.839 54.000 0.076 0.000 0.896 179 D CB -0.060 40.770 40.800 0.051 0.000 1.028 179 D HN 0.311 nan 8.370 nan 0.000 0.493 180 D N -0.480 119.958 120.400 0.063 0.000 2.183 180 D HA 0.239 4.880 4.640 0.002 0.000 0.205 180 D C 1.130 177.467 176.300 0.062 0.000 0.962 180 D CA 1.004 55.034 54.000 0.050 0.000 0.849 180 D CB 0.502 41.323 40.800 0.034 0.000 0.978 180 D HN 0.206 nan 8.370 nan 0.000 0.488 181 G N -1.193 107.653 108.800 0.078 0.000 2.664 181 G HA2 0.462 4.423 3.960 0.002 0.000 0.303 181 G HA3 0.462 4.423 3.960 0.002 0.000 0.303 181 G C -1.742 173.206 174.900 0.080 0.000 1.243 181 G CA -0.557 44.593 45.100 0.084 0.000 0.826 181 G HN -0.070 nan 8.290 nan 0.000 0.498 182 V N 1.003 120.935 119.914 0.029 0.000 2.495 182 V HA 0.696 4.817 4.120 0.002 0.000 0.298 182 V C 0.122 176.181 176.094 -0.058 0.000 1.031 182 V CA -0.163 62.082 62.300 -0.093 0.000 0.871 182 V CB 1.385 33.153 31.823 -0.091 0.000 0.988 182 V HN 1.138 nan 8.190 nan 0.000 0.432 183 T N 2.843 117.336 114.554 -0.102 0.000 2.807 183 T HA 0.796 5.147 4.350 0.002 0.000 0.279 183 T C -0.756 173.919 174.700 -0.041 0.000 0.993 183 T CA -0.586 61.496 62.100 -0.030 0.000 0.970 183 T CB 1.235 70.092 68.868 -0.019 0.000 0.950 183 T HN 0.655 nan 8.240 nan 0.000 0.441 184 I N 0.795 121.385 120.570 0.033 0.000 2.382 184 I HA 0.591 4.762 4.170 0.002 0.000 0.286 184 I C -0.133 176.038 176.117 0.090 0.000 1.002 184 I CA -1.072 60.255 61.300 0.046 0.000 1.135 184 I CB 1.504 39.537 38.000 0.055 0.000 1.288 184 I HN 0.785 nan 8.210 nan 0.000 0.448 185 E N 4.304 124.528 120.200 0.039 0.000 2.227 185 E HA 0.588 4.939 4.350 0.002 0.000 0.282 185 E C -0.389 176.244 176.600 0.056 0.000 1.015 185 E CA -0.730 55.687 56.400 0.028 0.000 0.823 185 E CB 1.225 30.922 29.700 -0.005 0.000 1.081 185 E HN 0.759 nan 8.360 nan 0.000 0.396 186 T N -0.831 113.768 114.554 0.075 0.000 2.844 186 T HA 0.557 4.907 4.350 0.002 0.000 0.274 186 T C 1.064 175.787 174.700 0.039 0.000 0.991 186 T CA -0.349 61.799 62.100 0.079 0.000 0.983 186 T CB 1.162 70.119 68.868 0.149 0.000 1.310 186 T HN 0.483 nan 8.240 nan 0.000 0.596 187 A N -0.152 122.689 122.820 0.034 0.000 2.014 187 A HA 0.064 4.385 4.320 0.002 0.000 0.218 187 A C 1.733 179.327 177.584 0.016 0.000 1.163 187 A CA 1.285 53.332 52.037 0.016 0.000 0.652 187 A CB -0.766 18.238 19.000 0.008 0.000 0.808 187 A HN 0.797 nan 8.150 nan 0.000 0.449 188 D N -1.696 118.726 120.400 0.038 0.000 2.380 188 D HA 0.306 4.947 4.640 0.002 0.000 0.212 188 D C 0.944 177.246 176.300 0.004 0.000 1.021 188 D CA 1.296 55.317 54.000 0.034 0.000 0.884 188 D CB 0.703 41.541 40.800 0.064 0.000 1.001 188 D HN 0.428 nan 8.370 nan 0.000 0.506 189 G N -0.420 108.369 108.800 -0.019 0.000 2.606 189 G HA2 0.486 4.447 3.960 0.002 0.000 0.300 189 G HA3 0.486 4.447 3.960 0.002 0.000 0.300 189 G C -1.567 173.117 174.900 -0.360 0.000 1.360 189 G CA -0.596 44.367 45.100 -0.229 0.000 0.783 189 G HN -0.134 nan 8.290 nan 0.000 0.484 190 E N -0.385 119.437 120.200 -0.631 0.000 2.246 190 E HA 0.522 4.873 4.350 0.002 0.000 0.266 190 E C -1.601 174.618 176.600 -0.635 0.000 0.880 190 E CA -0.426 55.706 56.400 -0.446 0.000 0.762 190 E CB 2.292 31.865 29.700 -0.212 0.000 1.180 190 E HN 0.437 nan 8.360 nan 0.000 0.416 191 Y N 0.535 120.857 120.300 0.036 0.000 2.602 191 Y HA 0.375 4.926 4.550 0.001 0.000 0.342 191 Y C -0.103 175.838 175.900 0.069 0.000 1.029 191 Y CA -0.965 57.184 58.100 0.082 0.000 1.080 191 Y CB 1.880 40.410 38.460 0.116 0.000 1.284 191 Y HN 0.329 nan 8.280 nan 0.000 0.485 192 Q N 0.928 120.890 119.800 0.271 0.000 2.340 192 Q HA 0.942 5.283 4.340 0.002 0.000 0.276 192 Q C -1.870 174.243 176.000 0.189 0.000 1.048 192 Q CA -1.307 54.592 55.803 0.160 0.000 0.832 192 Q CB 2.946 31.731 28.738 0.079 0.000 1.373 192 Q HN 0.790 nan 8.270 nan 0.000 0.409 193 A N 1.276 124.175 122.820 0.131 0.000 2.569 193 A HA 0.520 4.841 4.320 0.002 0.000 0.290 193 A C -0.101 177.527 177.584 0.074 0.000 1.136 193 A CA -0.602 51.510 52.037 0.125 0.000 0.710 193 A CB 1.511 20.593 19.000 0.138 0.000 1.303 193 A HN 0.849 nan 8.150 nan 0.000 0.413 194 K N -0.084 120.351 120.400 0.058 0.000 2.228 194 K HA 0.172 4.493 4.320 0.002 0.000 0.202 194 K C 0.268 176.892 176.600 0.039 0.000 1.051 194 K CA 1.105 57.414 56.287 0.038 0.000 0.960 194 K CB -0.001 32.507 32.500 0.012 0.000 0.743 194 K HN 0.390 nan 8.250 nan 0.000 0.458 195 K N -0.213 120.211 120.400 0.040 0.000 2.532 195 K HA 0.657 4.977 4.320 0.002 0.000 0.265 195 K C -1.708 174.948 176.600 0.093 0.000 0.948 195 K CA -0.915 55.407 56.287 0.059 0.000 0.842 195 K CB 2.468 34.938 32.500 -0.050 0.000 1.392 195 K HN 0.118 nan 8.250 nan 0.000 0.436 196 A N 1.697 124.612 122.820 0.158 0.000 2.539 196 A HA 0.771 5.091 4.320 0.002 0.000 0.296 196 A C -1.659 176.021 177.584 0.161 0.000 1.073 196 A CA -0.619 51.491 52.037 0.121 0.000 0.700 196 A CB 0.979 20.021 19.000 0.070 0.000 1.296 196 A HN 0.521 nan 8.150 nan 0.000 0.405 197 I N 0.938 121.568 120.570 0.099 0.000 2.433 197 I HA 0.441 4.612 4.170 0.002 0.000 0.292 197 I C -0.597 175.543 176.117 0.038 0.000 1.001 197 I CA -0.396 60.946 61.300 0.071 0.000 1.119 197 I CB 2.192 40.228 38.000 0.059 0.000 1.289 197 I HN 0.324 nan 8.210 nan 0.000 0.438 198 V N 5.731 125.662 119.914 0.028 0.000 2.318 198 V HA 0.234 4.355 4.120 0.002 0.000 0.271 198 V C -0.061 176.043 176.094 0.016 0.000 1.030 198 V CA -0.505 61.812 62.300 0.030 0.000 0.844 198 V CB 0.603 32.450 31.823 0.040 0.000 1.015 198 V HN 0.989 nan 8.190 nan 0.000 0.460 199 C N 1.866 121.179 119.300 0.023 0.000 3.074 199 C HA 0.669 5.130 4.460 0.002 0.000 0.224 199 C C 1.552 176.574 174.990 0.053 0.000 1.988 199 C CA -0.144 58.883 59.018 0.014 0.000 1.470 199 C CB -0.566 27.167 27.740 -0.010 0.000 2.762 199 C HN 0.787 nan 8.230 nan 0.000 0.502 200 A N 0.941 123.805 122.820 0.073 0.000 2.216 200 A HA 0.478 4.799 4.320 0.002 0.000 0.214 200 A C 1.881 179.546 177.584 0.135 0.000 1.160 200 A CA 1.761 53.871 52.037 0.122 0.000 0.725 200 A CB -0.854 18.227 19.000 0.134 0.000 0.784 200 A HN 2.190 nan 8.150 nan 0.000 0.472 201 G N -1.229 107.615 108.800 0.072 0.000 2.531 201 G HA2 -0.372 3.589 3.960 0.002 0.000 0.274 201 G HA3 -0.372 3.589 3.960 0.002 0.000 0.274 201 G C 1.001 175.878 174.900 -0.039 0.000 1.159 201 G CA 0.843 45.964 45.100 0.034 0.000 0.969 201 G HN 0.704 nan 8.290 nan 0.000 0.554 202 T N -0.296 114.171 114.554 -0.146 0.000 2.788 202 T HA -0.060 4.291 4.350 0.002 0.000 0.268 202 T C 1.506 175.885 174.700 -0.534 0.000 1.044 202 T CA 2.203 64.032 62.100 -0.452 0.000 1.139 202 T CB -0.144 68.254 68.868 -0.784 0.000 0.867 202 T HN 0.470 nan 8.240 nan 0.000 0.454 203 W N 1.050 122.408 121.300 0.096 0.000 3.086 203 W HA 0.572 5.232 4.660 0.001 0.000 0.436 203 W C 1.463 178.027 176.519 0.075 0.000 0.939 203 W CA -0.706 56.691 57.345 0.086 0.000 2.108 203 W CB -0.275 29.243 29.460 0.097 0.000 1.093 203 W HN -0.052 nan 8.180 nan 0.000 0.783 204 V N 1.187 121.207 119.914 0.176 0.000 2.667 204 V HA -0.210 3.911 4.120 0.002 0.000 0.252 204 V C 2.417 178.592 176.094 0.134 0.000 1.065 204 V CA 1.759 64.141 62.300 0.135 0.000 1.083 204 V CB -0.007 31.863 31.823 0.078 0.000 0.692 204 V HN 0.180 nan 8.190 nan 0.000 0.468 205 K N 0.757 121.244 120.400 0.144 0.000 2.209 205 K HA -0.169 4.152 4.320 0.002 0.000 0.204 205 K C 1.222 177.907 176.600 0.142 0.000 1.048 205 K CA 1.691 58.057 56.287 0.131 0.000 0.940 205 K CB -0.230 32.348 32.500 0.130 0.000 0.729 205 K HN 0.800 nan 8.250 nan 0.000 0.451 206 D N -0.194 120.311 120.400 0.175 0.000 2.336 206 D HA -0.049 4.592 4.640 0.002 0.000 0.228 206 D C 1.237 177.598 176.300 0.102 0.000 1.120 206 D CA -0.005 54.075 54.000 0.133 0.000 0.839 206 D CB 0.297 41.176 40.800 0.133 0.000 0.932 206 D HN 0.114 nan 8.370 nan 0.000 0.509 207 L N -1.123 120.162 121.223 0.103 0.000 2.586 207 L HA 0.383 4.724 4.340 0.002 0.000 0.204 207 L C -0.433 176.482 176.870 0.075 0.000 1.053 207 L CA 0.479 55.367 54.840 0.081 0.000 0.856 207 L CB 0.415 42.523 42.059 0.082 0.000 1.192 207 L HN -0.070 nan 8.230 nan 0.000 0.484 208 L N 1.588 122.861 121.223 0.083 0.000 2.337 208 L HA 0.449 4.790 4.340 0.002 0.000 0.269 208 L C -1.883 175.036 176.870 0.082 0.000 1.018 208 L CA -1.213 53.675 54.840 0.081 0.000 0.876 208 L CB 1.068 43.177 42.059 0.082 0.000 1.236 208 L HN -0.050 nan 8.230 nan 0.000 0.436 209 P HA -0.064 nan 4.420 nan 0.000 0.223 209 P C 0.932 178.274 177.300 0.070 0.000 1.151 209 P CA 0.786 63.931 63.100 0.076 0.000 0.787 209 P CB 0.418 32.158 31.700 0.067 0.000 0.788 210 E N -0.048 120.194 120.200 0.071 0.000 2.150 210 E HA -0.053 4.298 4.350 0.002 0.000 0.193 210 E C 0.954 177.596 176.600 0.069 0.000 0.985 210 E CA 0.322 56.763 56.400 0.069 0.000 0.814 210 E CB -0.737 29.008 29.700 0.074 0.000 0.752 210 E HN 0.349 nan 8.360 nan 0.000 0.466 211 L N 3.241 124.507 121.223 0.071 0.000 2.543 211 L HA -0.019 4.322 4.340 0.002 0.000 0.285 211 L C -1.695 175.198 176.870 0.039 0.000 1.236 211 L CA -0.884 53.996 54.840 0.067 0.000 0.871 211 L CB -0.108 41.989 42.059 0.064 0.000 1.121 211 L HN -0.080 nan 8.230 nan 0.000 0.501 212 P HA 0.134 nan 4.420 nan 0.000 0.214 212 P C -0.936 176.267 177.300 -0.162 0.000 1.826 212 P CA -0.040 63.009 63.100 -0.085 0.000 0.977 212 P CB -0.020 31.601 31.700 -0.131 0.000 1.930 213 V N -1.388 118.480 119.914 -0.077 0.000 2.789 213 V HA 0.740 4.861 4.120 0.002 0.000 0.311 213 V C -0.797 175.264 176.094 -0.056 0.000 1.073 213 V CA -1.110 61.143 62.300 -0.079 0.000 0.921 213 V CB 2.446 34.240 31.823 -0.048 0.000 1.009 213 V HN 0.017 nan 8.190 nan 0.000 0.426 214 Q N 4.921 124.681 119.800 -0.067 0.000 2.310 214 Q HA 0.583 4.924 4.340 0.002 0.000 0.270 214 Q C -2.890 173.049 176.000 -0.103 0.000 1.025 214 Q CA -2.144 53.624 55.803 -0.057 0.000 0.772 214 Q CB 2.747 31.463 28.738 -0.037 0.000 1.253 214 Q HN 0.689 nan 8.270 nan 0.000 0.450 215 P HA 0.014 nan 4.420 nan 0.000 0.265 215 P C -0.835 176.361 177.300 -0.172 0.000 1.222 215 P CA 0.124 63.040 63.100 -0.307 0.000 0.767 215 P CB 0.585 31.901 31.700 -0.640 0.000 0.801 216 V N 5.406 125.251 119.914 -0.116 0.000 2.417 216 V HA 0.320 4.441 4.120 0.002 0.000 0.291 216 V C 1.019 177.047 176.094 -0.110 0.000 1.024 216 V CA -0.905 61.341 62.300 -0.090 0.000 0.861 216 V CB 1.576 33.367 31.823 -0.053 0.000 0.985 216 V HN 0.493 nan 8.190 nan 0.000 0.436 217 R N 4.413 124.866 120.500 -0.079 0.000 2.421 217 R HA 0.237 4.578 4.340 0.002 0.000 0.305 217 R C -0.468 175.748 176.300 -0.140 0.000 1.039 217 R CA 0.071 56.137 56.100 -0.057 0.000 1.003 217 R CB 0.312 30.609 30.300 -0.005 0.000 0.959 217 R HN 0.540 nan 8.270 nan 0.000 0.427 218 K N 2.942 123.237 120.400 -0.174 0.000 2.395 218 K HA 0.496 4.817 4.320 0.002 0.000 0.247 218 K C -1.419 175.139 176.600 -0.071 0.000 0.973 218 K CA -0.901 55.232 56.287 -0.255 0.000 0.828 218 K CB 2.487 34.566 32.500 -0.701 0.000 1.272 218 K HN 0.339 nan 8.250 nan 0.000 0.439 219 V N 3.153 123.063 119.914 -0.006 0.000 2.686 219 V HA 0.509 4.630 4.120 0.002 0.000 0.306 219 V C -1.315 174.866 176.094 0.145 0.000 1.065 219 V CA -0.870 61.469 62.300 0.066 0.000 0.894 219 V CB 1.528 33.447 31.823 0.160 0.000 1.004 219 V HN 0.666 nan 8.190 nan 0.000 0.424 220 F N 3.262 123.234 119.950 0.037 0.000 2.532 220 F HA 1.010 5.538 4.527 0.002 0.000 0.321 220 F C -0.103 175.530 175.800 -0.279 0.000 1.089 220 F CA -0.997 56.931 58.000 -0.118 0.000 0.926 220 F CB 1.742 40.648 39.000 -0.157 0.000 1.168 220 F HN 0.579 nan 8.300 nan 0.000 0.459 221 A N 2.495 125.214 122.820 -0.168 0.000 2.469 221 A HA 0.659 4.980 4.320 0.002 0.000 0.299 221 A C -1.872 175.489 177.584 -0.371 0.000 1.098 221 A CA -0.702 51.147 52.037 -0.315 0.000 0.737 221 A CB 1.308 20.252 19.000 -0.094 0.000 1.312 221 A HN 0.888 nan 8.150 nan 0.000 0.414 222 W N 1.197 122.162 121.300 -0.560 0.000 2.429 222 W HA 0.534 5.195 4.660 0.001 0.000 0.314 222 W C -1.419 174.860 176.519 -0.400 0.000 1.062 222 W CA 0.019 57.077 57.345 -0.479 0.000 1.211 222 W CB 1.409 30.288 29.460 -0.968 0.000 1.305 222 W HN 0.651 nan 8.180 nan 0.000 0.476 223 Y N 0.434 120.691 120.300 -0.072 0.000 2.528 223 Y HA 0.133 4.683 4.550 0.001 0.000 0.335 223 Y C 0.715 176.574 175.900 -0.069 0.000 1.093 223 Y CA -1.095 56.955 58.100 -0.083 0.000 1.134 223 Y CB 1.440 39.797 38.460 -0.171 0.000 1.253 223 Y HN 0.311 nan 8.280 nan 0.000 0.478 224 Q N 1.486 121.334 119.800 0.080 0.000 2.409 224 Q HA 0.569 4.910 4.340 0.002 0.000 0.240 224 Q C -0.544 175.432 176.000 -0.040 0.000 1.226 224 Q CA -0.289 55.532 55.803 0.030 0.000 0.895 224 Q CB 0.166 28.925 28.738 0.036 0.000 1.491 224 Q HN 0.620 nan 8.270 nan 0.000 0.509 225 A N 3.328 126.105 122.820 -0.072 0.000 2.326 225 A HA 0.685 5.006 4.320 0.002 0.000 0.303 225 A C -0.620 176.963 177.584 -0.002 0.000 1.164 225 A CA -0.302 51.631 52.037 -0.173 0.000 0.929 225 A CB 0.985 19.778 19.000 -0.344 0.000 1.363 225 A HN 0.891 nan 8.150 nan 0.000 0.498 226 D N -3.704 116.767 120.400 0.120 0.000 2.652 226 D HA 0.464 5.105 4.640 0.002 0.000 0.285 226 D C 0.984 177.373 176.300 0.148 0.000 1.173 226 D CA 0.072 54.151 54.000 0.132 0.000 0.981 226 D CB 0.335 41.202 40.800 0.112 0.000 1.440 226 D HN 0.587 nan 8.370 nan 0.000 0.485 227 G N -0.366 108.485 108.800 0.083 0.000 2.550 227 G HA2 -0.379 3.582 3.960 0.002 0.000 0.222 227 G HA3 -0.379 3.582 3.960 0.002 0.000 0.222 227 G C 1.255 176.172 174.900 0.029 0.000 1.113 227 G CA 1.393 46.527 45.100 0.058 0.000 0.748 227 G HN 0.684 nan 8.290 nan 0.000 0.585 228 R N -1.024 119.458 120.500 -0.029 0.000 2.307 228 R HA 0.118 4.459 4.340 0.002 0.000 0.199 228 R C 0.979 177.073 176.300 -0.343 0.000 1.000 228 R CA 0.562 56.571 56.100 -0.152 0.000 1.023 228 R CB -0.320 29.850 30.300 -0.217 0.000 0.908 228 R HN 0.427 nan 8.270 nan 0.000 0.473 229 Y N 1.502 121.667 120.300 -0.225 0.000 2.524 229 Y HA 0.187 4.738 4.550 0.002 0.000 0.266 229 Y C 0.813 176.546 175.900 -0.278 0.000 1.180 229 Y CA -0.376 57.357 58.100 -0.612 0.000 1.244 229 Y CB 0.577 38.653 38.460 -0.639 0.000 1.125 229 Y HN 0.144 nan 8.280 nan 0.000 0.524 230 S N -1.668 114.079 115.700 0.079 0.000 2.713 230 S HA 0.252 4.723 4.470 0.002 0.000 0.283 230 S C 1.156 175.897 174.600 0.235 0.000 1.161 230 S CA -0.591 57.703 58.200 0.157 0.000 0.999 230 S CB 1.541 64.812 63.200 0.118 0.000 1.039 230 S HN -0.013 nan 8.310 nan 0.000 0.548 231 V N 1.584 121.638 119.914 0.233 0.000 2.469 231 V HA -0.147 3.973 4.120 0.002 0.000 0.251 231 V C 2.570 178.770 176.094 0.177 0.000 1.064 231 V CA 1.658 64.097 62.300 0.230 0.000 1.066 231 V CB -1.011 30.938 31.823 0.210 0.000 0.667 231 V HN 0.769 nan 8.190 nan 0.000 0.461 232 K N 0.537 121.022 120.400 0.141 0.000 2.032 232 K HA -0.151 4.170 4.320 0.002 0.000 0.209 232 K C 1.748 178.418 176.600 0.116 0.000 1.048 232 K CA 1.225 57.577 56.287 0.108 0.000 0.927 232 K CB -0.857 31.693 32.500 0.083 0.000 0.712 232 K HN 0.504 nan 8.250 nan 0.000 0.441 233 N N 1.197 119.977 118.700 0.133 0.000 2.471 233 N HA -0.071 4.670 4.740 0.002 0.000 0.205 233 N C -0.598 175.041 175.510 0.215 0.000 1.251 233 N CA 0.101 53.234 53.050 0.138 0.000 0.843 233 N CB 0.057 38.605 38.487 0.102 0.000 1.044 233 N HN -0.082 nan 8.380 nan 0.000 0.461 234 K N -0.169 120.367 120.400 0.225 0.000 3.035 234 K HA -0.218 4.103 4.320 0.002 0.000 0.262 234 K C -0.766 176.065 176.600 0.385 0.000 1.024 234 K CA 0.304 56.760 56.287 0.281 0.000 0.748 234 K CB -2.009 30.632 32.500 0.236 0.000 1.247 234 K HN 0.301 nan 8.250 nan 0.000 0.482 235 F N 1.217 121.270 119.950 0.172 0.000 2.410 235 F HA 0.404 4.932 4.527 0.001 0.000 0.348 235 F C -1.875 173.943 175.800 0.029 0.000 1.106 235 F CA -2.091 55.938 58.000 0.049 0.000 1.163 235 F CB 0.914 39.952 39.000 0.063 0.000 1.129 235 F HN -0.080 nan 8.300 nan 0.000 0.516 236 P HA 0.369 nan 4.420 nan 0.000 0.287 236 P C -1.436 175.809 177.300 -0.092 0.000 1.279 236 P CA -0.595 62.346 63.100 -0.263 0.000 0.867 236 P CB 1.434 32.868 31.700 -0.444 0.000 1.127 237 A N 2.129 124.992 122.820 0.070 0.000 2.406 237 A HA 0.596 4.917 4.320 0.002 0.000 0.243 237 A C -0.244 177.310 177.584 -0.051 0.000 1.082 237 A CA 0.105 52.110 52.037 -0.053 0.000 0.786 237 A CB -0.662 18.280 19.000 -0.096 0.000 1.029 237 A HN 0.577 nan 8.150 nan 0.000 0.495 238 F N -1.474 118.335 119.950 -0.235 0.000 2.631 238 F HA 0.731 5.259 4.527 0.001 0.000 0.308 238 F C -0.269 175.426 175.800 -0.175 0.000 1.097 238 F CA -0.526 57.368 58.000 -0.178 0.000 0.952 238 F CB 1.544 40.457 39.000 -0.145 0.000 1.307 238 F HN 0.568 nan 8.300 nan 0.000 0.450 239 T N -0.587 114.022 114.554 0.092 0.000 2.841 239 T HA 0.810 5.161 4.350 0.002 0.000 0.285 239 T C -0.495 174.265 174.700 0.099 0.000 0.991 239 T CA -0.583 61.517 62.100 0.000 0.000 0.966 239 T CB 1.222 70.039 68.868 -0.085 0.000 0.962 239 T HN 1.281 nan 8.240 nan 0.000 0.438 240 G N 1.730 110.586 108.800 0.094 0.000 2.617 240 G HA2 0.604 4.565 3.960 0.002 0.000 0.306 240 G HA3 0.604 4.565 3.960 0.002 0.000 0.306 240 G C -1.128 173.913 174.900 0.235 0.000 1.360 240 G CA -0.771 44.499 45.100 0.283 0.000 0.983 240 G HN 0.751 nan 8.290 nan 0.000 0.496 241 E N 0.945 121.260 120.200 0.193 0.000 2.175 241 E HA 0.370 4.721 4.350 0.002 0.000 0.278 241 E C -0.579 176.209 176.600 0.314 0.000 0.969 241 E CA -0.659 55.834 56.400 0.156 0.000 0.796 241 E CB 2.141 31.833 29.700 -0.012 0.000 1.104 241 E HN 0.171 nan 8.360 nan 0.000 0.395 242 L N 4.557 125.985 121.223 0.341 0.000 2.399 242 L HA 0.196 4.537 4.340 0.002 0.000 0.266 242 L C -1.595 175.417 176.870 0.236 0.000 1.114 242 L CA -1.606 53.427 54.840 0.322 0.000 0.804 242 L CB 0.308 42.549 42.059 0.303 0.000 1.146 242 L HN 0.426 nan 8.230 nan 0.000 0.451 243 P HA -0.109 nan 4.420 nan 0.000 0.223 243 P C 0.605 177.972 177.300 0.112 0.000 1.144 243 P CA 0.945 64.148 63.100 0.172 0.000 0.783 243 P CB 0.026 31.828 31.700 0.171 0.000 0.771 244 N N -1.240 117.527 118.700 0.111 0.000 2.463 244 N HA 0.029 4.770 4.740 0.002 0.000 0.181 244 N C 1.335 176.890 175.510 0.075 0.000 1.078 244 N CA 1.220 54.321 53.050 0.085 0.000 0.902 244 N CB -0.625 37.911 38.487 0.083 0.000 0.970 244 N HN 0.223 nan 8.380 nan 0.000 0.451 245 G N -0.358 108.492 108.800 0.084 0.000 2.284 245 G HA2 -0.206 3.755 3.960 0.002 0.000 0.201 245 G HA3 -0.206 3.755 3.960 0.002 0.000 0.201 245 G C -0.854 174.070 174.900 0.040 0.000 0.998 245 G CA -0.111 45.021 45.100 0.053 0.000 0.651 245 G HN 0.379 nan 8.290 nan 0.000 0.489 246 D N 1.697 122.145 120.400 0.080 0.000 2.487 246 D HA 0.388 5.028 4.640 0.002 0.000 0.243 246 D C 0.614 176.905 176.300 -0.015 0.000 1.154 246 D CA 0.762 54.778 54.000 0.027 0.000 0.876 246 D CB 0.705 41.590 40.800 0.141 0.000 1.161 246 D HN 0.457 nan 8.370 nan 0.000 0.478 247 Q N 1.167 120.834 119.800 -0.222 0.000 2.245 247 Q HA 0.451 4.792 4.340 0.002 0.000 0.256 247 Q C -1.106 174.600 176.000 -0.490 0.000 0.942 247 Q CA -0.736 54.920 55.803 -0.245 0.000 0.896 247 Q CB 1.294 29.868 28.738 -0.273 0.000 1.272 247 Q HN 0.438 nan 8.270 nan 0.000 0.442 248 Y N 1.267 121.415 120.300 -0.255 0.000 2.421 248 Y HA 0.312 4.862 4.550 0.001 0.000 0.339 248 Y C -0.911 174.737 175.900 -0.420 0.000 0.996 248 Y CA -1.040 56.791 58.100 -0.449 0.000 1.046 248 Y CB 1.236 39.153 38.460 -0.905 0.000 1.226 248 Y HN 0.497 nan 8.280 nan 0.000 0.445 249 Y N 0.016 120.142 120.300 -0.290 0.000 2.420 249 Y HA 1.028 5.579 4.550 0.002 0.000 0.334 249 Y C -0.034 175.422 175.900 -0.740 0.000 1.094 249 Y CA -1.517 56.292 58.100 -0.485 0.000 1.126 249 Y CB 1.789 40.027 38.460 -0.371 0.000 1.217 249 Y HN 0.699 nan 8.280 nan 0.000 0.462 250 G N 1.445 109.475 108.800 -1.283 0.000 2.677 250 G HA2 0.639 4.600 3.960 0.002 0.000 0.291 250 G HA3 0.639 4.600 3.960 0.002 0.000 0.291 250 G C -2.351 171.550 174.900 -1.664 0.000 1.435 250 G CA -1.105 42.983 45.100 -1.687 0.000 0.826 250 G HN 0.541 nan 8.290 nan 0.000 0.491 251 F N -0.273 119.321 119.950 -0.593 0.000 2.576 251 F HA 0.558 5.086 4.527 0.001 0.000 0.313 251 F C -2.263 173.535 175.800 -0.005 0.000 1.078 251 F CA -2.089 55.715 58.000 -0.327 0.000 0.921 251 F CB 2.815 41.529 39.000 -0.476 0.000 1.232 251 F HN 0.124 nan 8.300 nan 0.000 0.459 252 P HA 0.136 nan 4.420 nan 0.000 0.267 252 P C -0.720 176.687 177.300 0.179 0.000 1.205 252 P CA -0.190 63.132 63.100 0.371 0.000 0.765 252 P CB 0.430 32.379 31.700 0.413 0.000 0.828 253 A N 3.114 126.009 122.820 0.125 0.000 2.584 253 A HA -0.065 4.256 4.320 0.002 0.000 0.239 253 A C 1.200 178.850 177.584 0.110 0.000 1.043 253 A CA 0.541 52.631 52.037 0.090 0.000 0.756 253 A CB -0.280 18.750 19.000 0.051 0.000 0.963 253 A HN 0.568 nan 8.150 nan 0.000 0.511 254 E N 1.987 122.259 120.200 0.120 0.000 2.402 254 E HA 0.031 4.382 4.350 0.002 0.000 0.261 254 E C 1.484 178.136 176.600 0.087 0.000 0.823 254 E CA 1.098 57.561 56.400 0.105 0.000 1.205 254 E CB -0.103 29.663 29.700 0.111 0.000 1.431 254 E HN 0.752 nan 8.360 nan 0.000 0.518 255 N N 0.362 119.105 118.700 0.072 0.000 2.106 255 N HA -0.042 4.699 4.740 0.002 0.000 0.188 255 N C -0.311 175.230 175.510 0.052 0.000 1.029 255 N CA 1.546 54.623 53.050 0.044 0.000 0.848 255 N CB 0.321 38.814 38.487 0.011 0.000 1.007 255 N HN 0.143 nan 8.380 nan 0.000 0.423 256 D N -1.576 118.866 120.400 0.070 0.000 3.964 256 D HA 0.232 4.873 4.640 0.002 0.000 0.269 256 D C -1.501 174.846 176.300 0.079 0.000 1.500 256 D CA 0.029 54.069 54.000 0.068 0.000 0.770 256 D CB 0.116 40.947 40.800 0.051 0.000 1.356 256 D HN 0.137 nan 8.370 nan 0.000 0.755 257 A N 0.898 123.790 122.820 0.120 0.000 2.381 257 A HA 0.566 4.887 4.320 0.002 0.000 0.299 257 A C -0.941 176.743 177.584 0.168 0.000 1.049 257 A CA -0.551 51.589 52.037 0.171 0.000 0.715 257 A CB 1.778 20.951 19.000 0.289 0.000 1.222 257 A HN 0.137 nan 8.150 nan 0.000 0.428 258 L N 2.261 123.516 121.223 0.054 0.000 2.305 258 L HA 0.374 4.715 4.340 0.002 0.000 0.281 258 L C 0.081 176.915 176.870 -0.061 0.000 1.085 258 L CA 0.137 54.973 54.840 -0.006 0.000 0.813 258 L CB 1.226 43.210 42.059 -0.125 0.000 1.157 258 L HN 0.771 nan 8.230 nan 0.000 0.436 259 K N 6.375 126.664 120.400 -0.185 0.000 2.263 259 K HA 0.433 4.754 4.320 0.002 0.000 0.272 259 K C -0.707 175.753 176.600 -0.234 0.000 1.033 259 K CA -0.573 55.421 56.287 -0.489 0.000 0.884 259 K CB 0.923 32.879 32.500 -0.908 0.000 1.107 259 K HN 0.470 nan 8.250 nan 0.000 0.460 260 I N 0.495 120.921 120.570 -0.241 0.000 3.023 260 I HA 0.693 4.864 4.170 0.002 0.000 0.312 260 I C 0.308 176.197 176.117 -0.379 0.000 1.056 260 I CA -1.152 59.973 61.300 -0.291 0.000 1.033 260 I CB 1.356 39.209 38.000 -0.246 0.000 1.233 260 I HN 0.693 nan 8.210 nan 0.000 0.462 261 G N 1.537 109.934 108.800 -0.672 0.000 2.750 261 G HA2 0.255 4.216 3.960 0.002 0.000 0.298 261 G HA3 0.255 4.216 3.960 0.002 0.000 0.298 261 G C -1.491 173.017 174.900 -0.653 0.000 1.412 261 G CA -0.734 43.936 45.100 -0.715 0.000 1.078 261 G HN 0.601 nan 8.290 nan 0.000 0.573 262 K N 0.678 120.920 120.400 -0.263 0.000 2.322 262 K HA 0.207 4.528 4.320 0.002 0.000 0.283 262 K C 0.632 177.182 176.600 -0.085 0.000 1.042 262 K CA -0.437 55.618 56.287 -0.386 0.000 0.958 262 K CB 0.846 33.181 32.500 -0.276 0.000 0.984 262 K HN 0.762 nan 8.250 nan 0.000 0.473 263 H N 3.535 122.526 119.070 -0.131 0.000 2.399 263 H HA -0.016 4.541 4.556 0.002 0.000 0.300 263 H C 1.334 176.742 175.328 0.134 0.000 1.048 263 H CA 2.235 58.388 56.048 0.175 0.000 1.370 263 H CB 0.305 30.134 29.762 0.111 0.000 1.428 263 H HN 0.832 nan 8.280 nan 0.000 0.534 264 N N -0.368 118.326 118.700 -0.010 0.000 2.412 264 N HA 0.088 4.829 4.740 0.002 0.000 0.184 264 N C 1.286 176.770 175.510 -0.043 0.000 1.101 264 N CA 0.385 53.428 53.050 -0.012 0.000 0.881 264 N CB 0.470 38.973 38.487 0.027 0.000 0.969 264 N HN 0.285 nan 8.380 nan 0.000 0.459 265 G N -0.271 108.485 108.800 -0.073 0.000 2.783 265 G HA2 0.544 4.505 3.960 0.002 0.000 0.182 265 G HA3 0.544 4.505 3.960 0.002 0.000 0.182 265 G C 0.159 175.012 174.900 -0.079 0.000 1.516 265 G CA -0.219 44.845 45.100 -0.060 0.000 1.079 265 G HN 0.621 nan 8.290 nan 0.000 0.573 266 G N -1.515 107.237 108.800 -0.080 0.000 2.697 266 G HA2 0.338 4.299 3.960 0.002 0.000 0.686 266 G HA3 0.338 4.299 3.960 0.002 0.000 0.686 266 G C -0.589 174.269 174.900 -0.070 0.000 1.179 266 G CA 0.007 45.044 45.100 -0.105 0.000 0.765 266 G HN 0.939 nan 8.290 nan 0.000 0.649 267 Q N 0.801 120.560 119.800 -0.067 0.000 2.241 267 Q HA 0.610 4.951 4.340 0.002 0.000 0.254 267 Q C 0.043 176.004 176.000 -0.065 0.000 0.917 267 Q CA -0.899 54.873 55.803 -0.051 0.000 0.919 267 Q CB 2.223 30.939 28.738 -0.037 0.000 1.237 267 Q HN 0.786 nan 8.270 nan 0.000 0.434 268 V N 4.994 124.864 119.914 -0.074 0.000 2.455 268 V HA 0.241 4.362 4.120 0.002 0.000 0.273 268 V C 0.522 176.483 176.094 -0.222 0.000 1.045 268 V CA -0.201 62.021 62.300 -0.131 0.000 0.976 268 V CB -0.276 31.479 31.823 -0.113 0.000 0.993 268 V HN 0.763 nan 8.190 nan 0.000 0.475 269 I N 1.157 121.590 120.570 -0.228 0.000 2.846 269 I HA 0.643 4.814 4.170 0.002 0.000 0.307 269 I C 0.233 176.204 176.117 -0.244 0.000 1.053 269 I CA -0.672 60.508 61.300 -0.201 0.000 1.050 269 I CB 2.089 40.126 38.000 0.062 0.000 1.239 269 I HN 0.466 nan 8.210 nan 0.000 0.439 270 H N 0.572 119.770 119.070 0.214 0.000 2.927 270 H HA 0.334 4.891 4.556 0.001 0.000 0.255 270 H C 0.417 175.923 175.328 0.296 0.000 0.974 270 H CA 0.115 56.301 56.048 0.231 0.000 1.199 270 H CB 0.842 30.678 29.762 0.124 0.000 1.447 270 H HN 0.627 nan 8.280 nan 0.000 0.467 271 S N -0.276 115.574 115.700 0.250 0.000 2.536 271 S HA 0.568 5.039 4.470 0.002 0.000 0.298 271 S C 1.155 175.471 174.600 -0.474 0.000 1.083 271 S CA -0.173 57.979 58.200 -0.081 0.000 0.995 271 S CB 1.404 64.574 63.200 -0.050 0.000 1.058 271 S HN 0.345 nan 8.310 nan 0.000 0.488 272 A N 2.506 124.659 122.820 -1.112 0.000 2.032 272 A HA -0.137 4.184 4.320 0.002 0.000 0.221 272 A C 1.589 178.919 177.584 -0.423 0.000 1.165 272 A CA 2.484 53.780 52.037 -1.235 0.000 0.645 272 A CB -0.993 17.293 19.000 -1.189 0.000 0.807 272 A HN 0.944 nan 8.150 nan 0.000 0.453 273 D N -0.501 119.733 120.400 -0.277 0.000 2.224 273 D HA -0.112 4.529 4.640 0.002 0.000 0.205 273 D C 1.710 177.980 176.300 -0.051 0.000 0.965 273 D CA 1.285 55.206 54.000 -0.131 0.000 0.852 273 D CB -0.228 40.508 40.800 -0.106 0.000 0.947 273 D HN 0.608 nan 8.370 nan 0.000 0.494 274 E N -0.157 120.031 120.200 -0.021 0.000 2.418 274 E HA -0.084 4.267 4.350 0.002 0.000 0.197 274 E C 0.818 177.457 176.600 0.065 0.000 1.026 274 E CA -0.003 56.420 56.400 0.039 0.000 0.862 274 E CB -0.071 29.677 29.700 0.079 0.000 0.799 274 E HN 0.180 nan 8.360 nan 0.000 0.518 275 R N 2.352 122.909 120.500 0.096 0.000 2.853 275 R HA 0.026 4.367 4.340 0.002 0.000 0.238 275 R C -0.183 176.156 176.300 0.065 0.000 1.538 275 R CA -0.246 55.925 56.100 0.118 0.000 1.166 275 R CB -0.488 29.935 30.300 0.206 0.000 1.201 275 R HN -0.073 nan 8.270 nan 0.000 0.606 276 V N 2.145 122.083 119.914 0.040 0.000 2.763 276 V HA 0.226 4.347 4.120 0.002 0.000 0.306 276 V C -2.054 174.056 176.094 0.027 0.000 1.059 276 V CA -1.824 60.488 62.300 0.020 0.000 1.138 276 V CB 0.281 32.105 31.823 0.002 0.000 0.940 276 V HN 0.489 nan 8.190 nan 0.000 0.489 277 P HA 0.005 nan 4.420 nan 0.000 0.267 277 P C 0.611 177.954 177.300 0.072 0.000 1.195 277 P CA 0.182 63.315 63.100 0.054 0.000 0.773 277 P CB 0.209 31.933 31.700 0.041 0.000 0.837 278 F N 3.093 123.032 119.950 -0.019 0.000 2.054 278 F HA -0.370 4.159 4.527 0.003 0.000 0.294 278 F C 1.695 177.489 175.800 -0.011 0.000 1.126 278 F CA 2.386 60.373 58.000 -0.021 0.000 1.226 278 F CB -0.586 38.406 39.000 -0.014 0.000 0.947 278 F HN 0.325 nan 8.300 nan 0.000 0.509 279 A N -0.617 121.964 122.820 -0.399 0.000 2.359 279 A HA 0.114 4.435 4.320 0.002 0.000 0.240 279 A C 1.610 179.041 177.584 -0.255 0.000 1.306 279 A CA 0.340 52.053 52.037 -0.540 0.000 0.898 279 A CB -0.780 18.066 19.000 -0.256 0.000 0.956 279 A HN 0.674 nan 8.150 nan 0.000 0.497 280 E N -0.371 119.722 120.200 -0.179 0.000 2.340 280 E HA 0.054 4.405 4.350 0.002 0.000 0.194 280 E C 0.173 176.711 176.600 -0.103 0.000 0.996 280 E CA 0.401 56.739 56.400 -0.104 0.000 0.869 280 E CB 0.362 30.029 29.700 -0.055 0.000 0.835 280 E HN 0.566 nan 8.360 nan 0.000 0.493 281 V N -0.026 119.809 119.914 -0.131 0.000 2.834 281 V HA 0.105 4.226 4.120 0.002 0.000 0.313 281 V C 1.617 177.637 176.094 -0.124 0.000 1.060 281 V CA -0.600 61.638 62.300 -0.103 0.000 0.989 281 V CB 1.359 33.137 31.823 -0.074 0.000 1.041 281 V HN -0.011 nan 8.190 nan 0.000 0.459 282 V N -0.730 119.135 119.914 -0.082 0.000 2.515 282 V HA -0.097 4.024 4.120 0.002 0.000 0.250 282 V C 1.941 177.997 176.094 -0.064 0.000 1.058 282 V CA 2.099 64.356 62.300 -0.071 0.000 1.064 282 V CB -0.876 30.919 31.823 -0.046 0.000 0.675 282 V HN 0.881 nan 8.190 nan 0.000 0.461 283 S N 0.652 116.322 115.700 -0.050 0.000 2.446 283 S HA -0.070 4.401 4.470 0.002 0.000 0.225 283 S C 1.471 176.074 174.600 0.006 0.000 1.016 283 S CA 1.058 59.252 58.200 -0.010 0.000 0.943 283 S CB -0.416 62.786 63.200 0.003 0.000 0.786 283 S HN 0.659 nan 8.310 nan 0.000 0.508 284 D N 2.248 122.604 120.400 -0.073 0.000 2.133 284 D HA -0.104 4.537 4.640 0.002 0.000 0.192 284 D C 2.079 178.410 176.300 0.052 0.000 1.001 284 D CA 1.553 55.497 54.000 -0.092 0.000 0.844 284 D CB -0.813 39.708 40.800 -0.464 0.000 0.944 284 D HN 0.491 nan 8.370 nan 0.000 0.447 285 G N -0.285 108.510 108.800 -0.008 0.000 2.430 285 G HA2 -0.138 3.823 3.960 0.002 0.000 0.216 285 G HA3 -0.138 3.823 3.960 0.002 0.000 0.216 285 G C 1.403 176.543 174.900 0.399 0.000 1.146 285 G CA 0.950 46.165 45.100 0.192 0.000 0.793 285 G HN 0.430 nan 8.290 nan 0.000 0.537 286 S N -0.742 115.110 115.700 0.252 0.000 2.540 286 S HA 0.237 4.708 4.470 0.002 0.000 0.218 286 S C 1.491 176.282 174.600 0.318 0.000 0.977 286 S CA 0.371 58.735 58.200 0.274 0.000 0.918 286 S CB 0.624 63.842 63.200 0.030 0.000 0.806 286 S HN 0.420 nan 8.310 nan 0.000 0.496 287 E N 1.498 121.872 120.200 0.290 0.000 2.107 287 E HA 0.068 4.419 4.350 0.002 0.000 0.191 287 E C 1.964 178.750 176.600 0.310 0.000 0.982 287 E CA 0.992 57.536 56.400 0.241 0.000 0.809 287 E CB -0.157 29.648 29.700 0.176 0.000 0.756 287 E HN 0.721 nan 8.360 nan 0.000 0.459 288 A N -0.432 122.553 122.820 0.275 0.000 2.178 288 A HA 0.027 4.348 4.320 0.002 0.000 0.211 288 A C 1.552 179.091 177.584 -0.074 0.000 1.157 288 A CA -0.013 52.073 52.037 0.081 0.000 0.780 288 A CB -0.385 18.508 19.000 -0.179 0.000 0.828 288 A HN 0.210 nan 8.150 nan 0.000 0.476 289 F N 1.277 121.216 119.950 -0.017 0.000 2.091 289 F HA -0.137 4.392 4.527 0.003 0.000 0.299 289 F C -0.071 175.682 175.800 -0.077 0.000 1.103 289 F CA 2.378 60.349 58.000 -0.048 0.000 1.228 289 F CB -1.009 38.005 39.000 0.023 0.000 0.984 289 F HN 0.219 nan 8.300 nan 0.000 0.477 290 P HA -0.273 nan 4.420 nan 0.000 0.217 290 P C 1.716 178.947 177.300 -0.115 0.000 1.151 290 P CA 1.734 64.859 63.100 0.042 0.000 0.849 290 P CB -0.374 31.396 31.700 0.117 0.000 0.787 291 F N 0.114 119.782 119.950 -0.470 0.000 2.149 291 F HA 0.004 4.532 4.527 0.001 0.000 0.294 291 F C 2.325 177.870 175.800 -0.426 0.000 1.095 291 F CA 1.029 58.654 58.000 -0.624 0.000 1.276 291 F CB -0.733 37.536 39.000 -1.218 0.000 1.023 291 F HN -0.319 nan 8.300 nan 0.000 0.480 292 L N -0.127 120.925 121.223 -0.286 0.000 2.201 292 L HA -0.134 4.207 4.340 0.002 0.000 0.212 292 L C 2.568 179.236 176.870 -0.336 0.000 1.105 292 L CA 0.639 55.258 54.840 -0.368 0.000 0.775 292 L CB -0.495 41.230 42.059 -0.557 0.000 0.913 292 L HN 0.040 nan 8.230 nan 0.000 0.440 293 R N 0.129 120.484 120.500 -0.242 0.000 2.062 293 R HA -0.053 4.287 4.340 0.002 0.000 0.229 293 R C 1.856 178.041 176.300 -0.190 0.000 1.128 293 R CA 1.396 57.410 56.100 -0.143 0.000 0.960 293 R CB -0.757 29.535 30.300 -0.014 0.000 0.855 293 R HN 0.517 nan 8.270 nan 0.000 0.432 294 N N -0.205 118.341 118.700 -0.256 0.000 2.173 294 N HA -0.085 4.656 4.740 0.002 0.000 0.184 294 N C 1.817 177.105 175.510 -0.371 0.000 1.025 294 N CA 0.895 53.776 53.050 -0.283 0.000 0.852 294 N CB 0.165 38.483 38.487 -0.281 0.000 0.998 294 N HN -0.081 nan 8.380 nan 0.000 0.427 295 V N 0.872 120.440 119.914 -0.577 0.000 2.379 295 V HA 0.021 4.142 4.120 0.002 0.000 0.243 295 V C 0.766 176.606 176.094 -0.423 0.000 1.035 295 V CA 1.111 63.023 62.300 -0.646 0.000 1.035 295 V CB -0.165 30.905 31.823 -1.256 0.000 0.673 295 V HN 0.204 nan 8.190 nan 0.000 0.457 296 L N 1.813 122.800 121.223 -0.394 0.000 2.581 296 L HA 0.313 4.654 4.340 0.002 0.000 0.241 296 L C -1.629 175.142 176.870 -0.164 0.000 1.265 296 L CA -1.033 53.693 54.840 -0.191 0.000 0.954 296 L CB 1.315 43.272 42.059 -0.171 0.000 1.269 296 L HN 0.140 nan 8.230 nan 0.000 0.475 297 P HA -0.104 nan 4.420 nan 0.000 0.220 297 P C 0.921 178.185 177.300 -0.059 0.000 1.148 297 P CA 0.784 63.825 63.100 -0.099 0.000 0.803 297 P CB 0.309 31.964 31.700 -0.075 0.000 0.782 298 G N -0.111 108.685 108.800 -0.006 0.000 3.515 298 G HA2 0.355 4.316 3.960 0.002 0.000 0.288 298 G HA3 0.355 4.316 3.960 0.002 0.000 0.288 298 G C 0.248 175.117 174.900 -0.052 0.000 1.012 298 G CA -0.053 45.063 45.100 0.027 0.000 1.689 298 G HN 0.143 nan 8.290 nan 0.000 0.572 299 I N -0.068 120.413 120.570 -0.147 0.000 4.779 299 I HA 0.364 4.535 4.170 0.002 0.000 0.339 299 I C 1.388 177.423 176.117 -0.136 0.000 1.293 299 I CA 1.155 62.294 61.300 -0.269 0.000 1.324 299 I CB 0.240 38.002 38.000 -0.396 0.000 1.424 299 I HN 0.638 nan 8.210 nan 0.000 0.489 300 G N 0.444 109.206 108.800 -0.063 0.000 2.641 300 G HA2 -0.287 3.674 3.960 0.002 0.000 0.254 300 G HA3 -0.287 3.674 3.960 0.002 0.000 0.254 300 G C 0.228 175.186 174.900 0.097 0.000 1.315 300 G CA -0.237 44.879 45.100 0.028 0.000 0.907 300 G HN 0.409 nan 8.290 nan 0.000 0.572 301 C N -1.046 118.350 119.300 0.160 0.000 2.560 301 C HA 0.578 5.039 4.460 0.002 0.000 0.334 301 C C 1.719 176.772 174.990 0.106 0.000 1.404 301 C CA 0.212 59.374 59.018 0.241 0.000 2.410 301 C CB 0.853 28.706 27.740 0.188 0.000 2.268 301 C HN 1.040 nan 8.230 nan 0.000 0.673 302 C N 0.810 120.058 119.300 -0.087 0.000 2.536 302 C HA 0.452 4.913 4.460 0.002 0.000 0.396 302 C C 1.181 176.060 174.990 -0.186 0.000 1.279 302 C CA -0.252 58.423 59.018 -0.571 0.000 2.148 302 C CB -1.269 26.165 27.740 -0.510 0.000 2.584 302 C HN 0.806 nan 8.230 nan 0.000 0.579 303 L N 3.301 124.416 121.223 -0.180 0.000 2.435 303 L HA 0.351 4.692 4.340 0.002 0.000 0.195 303 L C -0.045 176.922 176.870 0.161 0.000 1.072 303 L CA 0.210 55.076 54.840 0.044 0.000 0.833 303 L CB -0.372 41.775 42.059 0.147 0.000 1.081 303 L HN 0.873 nan 8.230 nan 0.000 0.485 304 Y N -2.181 118.055 120.300 -0.106 0.000 2.725 304 Y HA 0.768 5.319 4.550 0.002 0.000 0.333 304 Y C -0.477 175.134 175.900 -0.482 0.000 1.242 304 Y CA -0.955 57.030 58.100 -0.191 0.000 1.059 304 Y CB 0.876 39.221 38.460 -0.192 0.000 1.306 304 Y HN -0.134 nan 8.280 nan 0.000 0.454 305 G N -0.705 107.557 108.800 -0.897 0.000 2.975 305 G HA2 0.652 4.613 3.960 0.002 0.000 0.291 305 G HA3 0.652 4.613 3.960 0.002 0.000 0.291 305 G C -0.730 173.793 174.900 -0.629 0.000 1.334 305 G CA -0.543 43.556 45.100 -1.668 0.000 0.843 305 G HN 1.236 nan 8.290 nan 0.000 0.548 306 A N -1.671 120.816 122.820 -0.554 0.000 2.008 306 A HA 0.801 5.122 4.320 0.002 0.000 0.201 306 A C 1.230 178.747 177.584 -0.112 0.000 1.794 306 A CA 1.482 53.273 52.037 -0.409 0.000 0.952 306 A CB -0.597 17.508 19.000 -1.491 0.000 1.147 306 A HN 2.719 nan 8.150 nan 0.000 0.589 307 A N -1.229 121.563 122.820 -0.047 0.000 1.677 307 A HA 0.073 4.394 4.320 0.002 0.000 0.219 307 A C 0.010 177.687 177.584 0.154 0.000 1.295 307 A CA 0.560 52.639 52.037 0.071 0.000 0.647 307 A CB -2.082 16.982 19.000 0.106 0.000 1.201 307 A HN 2.172 nan 8.150 nan 0.000 0.214 308 C N 2.613 121.988 119.300 0.126 0.000 3.307 308 C HA 1.027 5.488 4.460 0.002 0.000 0.350 308 C C 0.330 175.392 174.990 0.121 0.000 1.549 308 C CA 0.652 59.798 59.018 0.214 0.000 1.396 308 C CB 1.605 29.451 27.740 0.176 0.000 1.970 308 C HN 2.116 nan 8.230 nan 0.000 0.441 309 T N -0.254 114.370 114.554 0.118 0.000 2.912 309 T HA 0.522 4.872 4.350 0.002 0.000 0.299 309 T C -1.211 173.568 174.700 0.131 0.000 1.052 309 T CA -0.333 61.784 62.100 0.028 0.000 0.996 309 T CB 0.808 69.641 68.868 -0.059 0.000 1.070 309 T HN 0.688 nan 8.240 nan 0.000 0.465 310 Y N 0.587 120.841 120.300 -0.077 0.000 2.310 310 Y HA 0.327 4.878 4.550 0.002 0.000 0.326 310 Y C 0.443 176.261 175.900 -0.137 0.000 1.151 310 Y CA -1.057 56.994 58.100 -0.082 0.000 1.195 310 Y CB 1.421 39.838 38.460 -0.071 0.000 1.210 310 Y HN 0.656 nan 8.280 nan 0.000 0.483 311 D N 2.986 123.401 120.400 0.025 0.000 2.781 311 D HA 0.075 4.716 4.640 0.002 0.000 0.254 311 D C -0.846 175.434 176.300 -0.032 0.000 1.213 311 D CA -0.258 53.703 54.000 -0.064 0.000 0.994 311 D CB -0.517 40.230 40.800 -0.089 0.000 1.019 311 D HN 0.386 nan 8.370 nan 0.000 0.514 312 N N 0.723 119.417 118.700 -0.009 0.000 2.452 312 N HA 0.052 4.793 4.740 0.002 0.000 0.266 312 N C -0.085 175.402 175.510 -0.039 0.000 1.175 312 N CA 0.001 53.054 53.050 0.006 0.000 0.945 312 N CB 0.963 39.466 38.487 0.026 0.000 1.063 312 N HN 0.216 nan 8.380 nan 0.000 0.472 313 S N 2.259 117.949 115.700 -0.017 0.000 2.616 313 S HA 0.430 4.901 4.470 0.002 0.000 0.277 313 S C -1.668 172.833 174.600 -0.166 0.000 1.234 313 S CA -1.189 56.927 58.200 -0.140 0.000 1.028 313 S CB 1.925 65.138 63.200 0.022 0.000 0.988 313 S HN 0.223 nan 8.310 nan 0.000 0.522 314 P HA -0.148 nan 4.420 nan 0.000 0.217 314 P C 0.746 178.067 177.300 0.035 0.000 1.151 314 P CA 1.575 64.550 63.100 -0.208 0.000 0.849 314 P CB -0.080 31.411 31.700 -0.349 0.000 0.787 315 D N -1.691 118.823 120.400 0.191 0.000 2.363 315 D HA -0.021 4.620 4.640 0.002 0.000 0.214 315 D C 0.430 176.865 176.300 0.225 0.000 1.093 315 D CA -0.030 54.120 54.000 0.249 0.000 0.837 315 D CB -0.618 40.383 40.800 0.335 0.000 0.948 315 D HN 0.150 nan 8.370 nan 0.000 0.507 316 E N -0.482 119.843 120.200 0.209 0.000 3.799 316 E HA -0.152 4.199 4.350 0.002 0.000 0.320 316 E C -0.596 176.221 176.600 0.362 0.000 0.760 316 E CA 1.059 57.606 56.400 0.245 0.000 1.153 316 E CB -0.927 28.899 29.700 0.211 0.000 1.589 316 E HN 0.443 nan 8.360 nan 0.000 0.448 317 D N -0.484 120.133 120.400 0.363 0.000 2.348 317 D HA 0.272 4.913 4.640 0.002 0.000 0.249 317 D C 0.582 177.181 176.300 0.498 0.000 1.110 317 D CA -0.162 54.083 54.000 0.409 0.000 0.967 317 D CB 0.384 41.371 40.800 0.312 0.000 1.139 317 D HN -0.061 nan 8.370 nan 0.000 0.466 318 F N 0.089 120.254 119.950 0.359 0.000 2.490 318 F HA 0.219 4.747 4.527 0.001 0.000 0.336 318 F C 0.987 176.902 175.800 0.192 0.000 1.178 318 F CA -0.520 57.524 58.000 0.074 0.000 1.301 318 F CB 0.552 39.330 39.000 -0.370 0.000 1.175 318 F HN -0.047 nan 8.300 nan 0.000 0.593 319 I N 3.493 124.232 120.570 0.281 0.000 2.405 319 I HA 0.278 4.449 4.170 0.002 0.000 0.280 319 I C -0.827 175.343 176.117 0.089 0.000 1.027 319 I CA -0.121 61.313 61.300 0.223 0.000 1.161 319 I CB 0.936 39.069 38.000 0.221 0.000 1.300 319 I HN 0.353 nan 8.210 nan 0.000 0.463 320 I N 5.351 125.976 120.570 0.092 0.000 2.428 320 I HA 0.457 4.628 4.170 0.002 0.000 0.279 320 I C -0.776 175.351 176.117 0.016 0.000 1.040 320 I CA -0.077 61.219 61.300 -0.007 0.000 1.171 320 I CB 0.785 38.738 38.000 -0.078 0.000 1.312 320 I HN 0.433 nan 8.210 nan 0.000 0.470 321 D N 2.869 123.253 120.400 -0.028 0.000 2.654 321 D HA 0.203 4.844 4.640 0.002 0.000 0.231 321 D C -0.769 175.479 176.300 -0.087 0.000 1.239 321 D CA -0.315 53.662 54.000 -0.039 0.000 0.790 321 D CB 2.743 43.547 40.800 0.008 0.000 1.480 321 D HN 0.225 nan 8.370 nan 0.000 0.442 322 T N 1.509 116.000 114.554 -0.106 0.000 2.913 322 T HA 0.349 4.700 4.350 0.002 0.000 0.297 322 T C 0.604 175.303 174.700 -0.002 0.000 1.029 322 T CA -0.299 61.743 62.100 -0.097 0.000 1.104 322 T CB 0.164 68.989 68.868 -0.072 0.000 0.964 322 T HN 0.264 nan 8.240 nan 0.000 0.532 323 L N 7.279 128.533 121.223 0.052 0.000 2.578 323 L HA 0.086 4.427 4.340 0.002 0.000 0.279 323 L C -1.174 175.737 176.870 0.069 0.000 1.227 323 L CA -0.981 53.925 54.840 0.110 0.000 0.900 323 L CB 0.624 42.813 42.059 0.217 0.000 1.144 323 L HN 0.653 nan 8.230 nan 0.000 0.496 324 P HA -0.186 nan 4.420 nan 0.000 0.218 324 P C 0.808 178.041 177.300 -0.113 0.000 1.152 324 P CA 1.577 64.668 63.100 -0.016 0.000 0.857 324 P CB 0.185 31.890 31.700 0.008 0.000 0.787 325 G N -2.939 105.692 108.800 -0.283 0.000 3.774 325 G HA2 0.082 4.043 3.960 0.002 0.000 0.287 325 G HA3 0.082 4.043 3.960 0.002 0.000 0.287 325 G C -0.350 174.029 174.900 -0.869 0.000 1.030 325 G CA -0.005 44.763 45.100 -0.554 0.000 0.824 325 G HN 0.285 nan 8.290 nan 0.000 0.518 326 H N 0.500 119.511 119.070 -0.098 0.000 3.239 326 H HA 0.178 4.735 4.556 0.001 0.000 0.320 326 H C -0.681 174.658 175.328 0.018 0.000 1.074 326 H CA -0.668 55.308 56.048 -0.121 0.000 1.553 326 H CB 1.941 31.513 29.762 -0.317 0.000 1.752 326 H HN 0.007 nan 8.280 nan 0.000 0.513 327 D N 0.783 121.265 120.400 0.138 0.000 2.347 327 D HA -0.078 4.563 4.640 0.002 0.000 0.215 327 D C 1.439 177.924 176.300 0.308 0.000 0.976 327 D CA 0.392 54.510 54.000 0.195 0.000 0.884 327 D CB 0.402 41.284 40.800 0.137 0.000 0.915 327 D HN 0.420 nan 8.370 nan 0.000 0.526 328 N N -0.082 118.780 118.700 0.270 0.000 2.289 328 N HA -0.088 4.653 4.740 0.002 0.000 0.184 328 N C 0.703 176.436 175.510 0.371 0.000 1.016 328 N CA 0.825 54.040 53.050 0.275 0.000 0.872 328 N CB 0.178 38.827 38.487 0.269 0.000 0.973 328 N HN 0.171 nan 8.380 nan 0.000 0.433 329 T N 0.683 115.464 114.554 0.378 0.000 2.881 329 T HA 0.371 4.722 4.350 0.002 0.000 0.290 329 T C -1.196 173.582 174.700 0.129 0.000 1.000 329 T CA -0.803 61.481 62.100 0.307 0.000 0.978 329 T CB 1.033 70.049 68.868 0.247 0.000 0.997 329 T HN -0.105 nan 8.240 nan 0.000 0.443 330 L N 7.321 128.525 121.223 -0.032 0.000 2.317 330 L HA 0.708 5.049 4.340 0.002 0.000 0.281 330 L C -1.316 175.479 176.870 -0.125 0.000 1.024 330 L CA -0.905 53.749 54.840 -0.310 0.000 0.810 330 L CB 1.387 42.905 42.059 -0.902 0.000 1.240 330 L HN 0.755 nan 8.230 nan 0.000 0.427 331 L N 3.987 125.151 121.223 -0.099 0.000 2.370 331 L HA 0.647 4.988 4.340 0.002 0.000 0.266 331 L C -1.188 175.645 176.870 -0.062 0.000 1.002 331 L CA -0.786 54.026 54.840 -0.047 0.000 0.818 331 L CB 1.661 43.723 42.059 0.004 0.000 1.325 331 L HN 0.595 nan 8.230 nan 0.000 0.418 332 I N 2.671 123.203 120.570 -0.065 0.000 2.439 332 I HA 0.469 4.640 4.170 0.002 0.000 0.283 332 I C 0.492 176.555 176.117 -0.090 0.000 1.023 332 I CA 0.068 61.309 61.300 -0.099 0.000 1.100 332 I CB 2.047 39.960 38.000 -0.145 0.000 1.238 332 I HN 0.886 nan 8.210 nan 0.000 0.445 333 T N 2.236 116.748 114.554 -0.071 0.000 3.207 333 T HA 0.114 4.465 4.350 0.002 0.000 0.277 333 T C 1.522 176.198 174.700 -0.040 0.000 0.865 333 T CA 0.629 62.696 62.100 -0.055 0.000 0.857 333 T CB 0.177 69.040 68.868 -0.009 0.000 1.240 333 T HN 0.716 nan 8.240 nan 0.000 0.618 334 G N 1.981 110.791 108.800 0.016 0.000 2.776 334 G HA2 0.185 4.146 3.960 0.002 0.000 0.209 334 G HA3 0.185 4.146 3.960 0.002 0.000 0.209 334 G C 0.437 175.413 174.900 0.128 0.000 1.145 334 G CA 0.162 45.337 45.100 0.125 0.000 0.791 334 G HN 0.548 nan 8.290 nan 0.000 0.530 335 L N 0.973 122.117 121.223 -0.131 0.000 2.678 335 L HA 0.321 4.662 4.340 0.002 0.000 0.276 335 L C 0.204 176.996 176.870 -0.129 0.000 1.142 335 L CA 0.095 54.738 54.840 -0.327 0.000 0.961 335 L CB 0.273 41.874 42.059 -0.762 0.000 1.291 335 L HN -0.197 nan 8.230 nan 0.000 0.476 336 S N 2.729 118.430 115.700 0.002 0.000 2.835 336 S HA 0.578 5.049 4.470 0.002 0.000 0.194 336 S C 1.324 175.786 174.600 -0.229 0.000 1.364 336 S CA -0.001 58.183 58.200 -0.028 0.000 1.167 336 S CB 0.500 63.781 63.200 0.134 0.000 1.223 336 S HN 1.147 nan 8.310 nan 0.000 0.512 337 G N 2.324 110.817 108.800 -0.512 0.000 2.284 337 G HA2 -0.231 3.730 3.960 0.002 0.000 0.216 337 G HA3 -0.231 3.730 3.960 0.002 0.000 0.216 337 G C 0.343 175.145 174.900 -0.165 0.000 1.009 337 G CA -0.070 44.480 45.100 -0.918 0.000 0.625 337 G HN 0.741 nan 8.290 nan 0.000 0.501 338 H N 0.873 119.938 119.070 -0.008 0.000 2.490 338 H HA 0.587 5.144 4.556 0.001 0.000 0.285 338 H C 1.461 177.021 175.328 0.386 0.000 1.127 338 H CA 0.424 56.572 56.048 0.166 0.000 0.993 338 H CB -0.133 29.747 29.762 0.196 0.000 1.653 338 H HN 0.403 nan 8.280 nan 0.000 0.557 339 G N 0.419 109.246 108.800 0.046 0.000 2.441 339 G HA2 -0.173 3.788 3.960 0.002 0.000 0.212 339 G HA3 -0.173 3.788 3.960 0.002 0.000 0.212 339 G C 1.183 176.176 174.900 0.155 0.000 1.164 339 G CA -0.051 44.999 45.100 -0.082 0.000 0.811 339 G HN 0.355 nan 8.290 nan 0.000 0.535 340 F N 2.886 122.886 119.950 0.083 0.000 2.095 340 F HA -0.120 4.408 4.527 0.001 0.000 0.298 340 F C 2.871 178.814 175.800 0.238 0.000 1.104 340 F CA 2.101 60.185 58.000 0.141 0.000 1.232 340 F CB 0.000 39.044 39.000 0.072 0.000 0.987 340 F HN 0.217 nan 8.300 nan 0.000 0.475 341 K N -0.901 119.622 120.400 0.205 0.000 2.286 341 K HA -0.231 4.090 4.320 0.002 0.000 0.203 341 K C 1.514 178.118 176.600 0.006 0.000 1.045 341 K CA 1.989 58.288 56.287 0.019 0.000 0.935 341 K CB -1.068 31.333 32.500 -0.165 0.000 0.737 341 K HN 0.351 nan 8.250 nan 0.000 0.460 342 F N 0.873 120.889 119.950 0.111 0.000 2.765 342 F HA 0.307 4.835 4.527 0.001 0.000 0.302 342 F C 2.408 178.152 175.800 -0.092 0.000 1.111 342 F CA 0.031 58.035 58.000 0.007 0.000 1.359 342 F CB 0.169 39.154 39.000 -0.025 0.000 1.097 342 F HN 0.060 nan 8.300 nan 0.000 0.577 343 A N 0.406 123.253 122.820 0.044 0.000 1.940 343 A HA -0.252 4.069 4.320 0.002 0.000 0.219 343 A C 2.413 179.885 177.584 -0.186 0.000 1.176 343 A CA 2.334 54.309 52.037 -0.105 0.000 0.631 343 A CB -1.064 17.797 19.000 -0.231 0.000 0.814 343 A HN 0.404 nan 8.150 nan 0.000 0.446 344 S N -0.851 114.671 115.700 -0.296 0.000 2.371 344 S HA -0.092 4.379 4.470 0.002 0.000 0.224 344 S C 1.832 176.327 174.600 -0.175 0.000 1.029 344 S CA 1.248 59.229 58.200 -0.364 0.000 0.978 344 S CB -0.851 61.766 63.200 -0.972 0.000 0.833 344 S HN 0.526 nan 8.310 nan 0.000 0.466 345 V N 1.547 121.355 119.914 -0.177 0.000 2.548 345 V HA 0.087 4.208 4.120 0.002 0.000 0.249 345 V C 2.227 178.252 176.094 -0.114 0.000 1.055 345 V CA 1.280 63.500 62.300 -0.133 0.000 1.065 345 V CB -0.565 31.172 31.823 -0.143 0.000 0.681 345 V HN 0.571 nan 8.190 nan 0.000 0.462 346 L N 0.208 121.362 121.223 -0.116 0.000 2.093 346 L HA 0.009 4.350 4.340 0.002 0.000 0.208 346 L C 2.642 179.445 176.870 -0.111 0.000 1.085 346 L CA 1.548 56.312 54.840 -0.127 0.000 0.755 346 L CB -1.171 40.791 42.059 -0.162 0.000 0.904 346 L HN 0.467 nan 8.230 nan 0.000 0.435 347 G N -0.520 108.203 108.800 -0.129 0.000 2.421 347 G HA2 -0.291 3.670 3.960 0.002 0.000 0.216 347 G HA3 -0.291 3.670 3.960 0.002 0.000 0.216 347 G C 1.465 176.362 174.900 -0.006 0.000 1.171 347 G CA 0.713 45.758 45.100 -0.092 0.000 0.775 347 G HN 0.407 nan 8.290 nan 0.000 0.543 348 E N 0.441 120.578 120.200 -0.105 0.000 2.051 348 E HA -0.160 4.191 4.350 0.002 0.000 0.192 348 E C 2.516 179.050 176.600 -0.111 0.000 0.991 348 E CA 1.433 57.652 56.400 -0.301 0.000 0.799 348 E CB -0.204 29.212 29.700 -0.473 0.000 0.748 348 E HN 0.581 nan 8.360 nan 0.000 0.449 349 I N -1.455 119.095 120.570 -0.033 0.000 2.676 349 I HA 0.044 4.215 4.170 0.002 0.000 0.259 349 I C 2.145 178.299 176.117 0.061 0.000 1.194 349 I CA 1.228 62.553 61.300 0.042 0.000 1.473 349 I CB -0.128 37.929 38.000 0.096 0.000 1.096 349 I HN 0.007 nan 8.210 nan 0.000 0.443 350 A N 1.489 124.326 122.820 0.029 0.000 1.854 350 A HA 0.148 4.469 4.320 0.002 0.000 0.214 350 A C 2.558 180.216 177.584 0.123 0.000 1.192 350 A CA 1.618 53.701 52.037 0.077 0.000 0.611 350 A CB -1.274 17.736 19.000 0.016 0.000 0.832 350 A HN 0.554 nan 8.150 nan 0.000 0.442 351 A N -0.216 122.634 122.820 0.049 0.000 2.019 351 A HA -0.155 4.166 4.320 0.002 0.000 0.219 351 A C 1.708 179.300 177.584 0.014 0.000 1.164 351 A CA 1.931 53.983 52.037 0.026 0.000 0.644 351 A CB -0.560 18.446 19.000 0.010 0.000 0.805 351 A HN 0.452 nan 8.150 nan 0.000 0.449 352 D N -1.097 119.317 120.400 0.023 0.000 2.117 352 D HA -0.117 4.524 4.640 0.002 0.000 0.198 352 D C 1.548 177.889 176.300 0.069 0.000 0.982 352 D CA 1.200 55.214 54.000 0.024 0.000 0.828 352 D CB -0.395 40.420 40.800 0.024 0.000 0.967 352 D HN 0.484 nan 8.370 nan 0.000 0.464 353 F N 1.433 121.373 119.950 -0.016 0.000 2.186 353 F HA -0.073 4.455 4.527 0.002 0.000 0.299 353 F C 2.083 177.882 175.800 -0.001 0.000 1.090 353 F CA 1.334 59.332 58.000 -0.004 0.000 1.307 353 F CB -0.260 38.743 39.000 0.004 0.000 1.019 353 F HN -0.065 nan 8.300 nan 0.000 0.489 354 A N -0.006 122.754 122.820 -0.099 0.000 1.940 354 A HA -0.226 4.095 4.320 0.002 0.000 0.219 354 A C 1.962 179.434 177.584 -0.188 0.000 1.176 354 A CA 1.749 53.682 52.037 -0.174 0.000 0.631 354 A CB -0.771 18.211 19.000 -0.031 0.000 0.814 354 A HN 0.635 nan 8.150 nan 0.000 0.446 355 Q N -0.883 118.840 119.800 -0.128 0.000 2.282 355 Q HA 0.071 4.412 4.340 0.002 0.000 0.205 355 Q C -0.326 175.602 176.000 -0.120 0.000 0.915 355 Q CA 0.199 55.940 55.803 -0.103 0.000 0.949 355 Q CB 0.227 28.927 28.738 -0.064 0.000 1.035 355 Q HN 0.547 nan 8.270 nan 0.000 0.484 356 D N 0.195 120.474 120.400 -0.200 0.000 2.921 356 D HA -0.205 4.435 4.640 0.002 0.000 0.202 356 D C 0.089 176.345 176.300 -0.074 0.000 1.082 356 D CA 1.286 55.179 54.000 -0.178 0.000 1.014 356 D CB -0.366 40.354 40.800 -0.134 0.000 1.120 356 D HN 0.317 nan 8.370 nan 0.000 0.416 357 K N 1.347 121.716 120.400 -0.051 0.000 2.436 357 K HA 0.102 4.423 4.320 0.002 0.000 0.275 357 K C 0.745 177.355 176.600 0.018 0.000 0.999 357 K CA 0.155 56.430 56.287 -0.020 0.000 0.980 357 K CB 0.787 33.269 32.500 -0.029 0.000 0.919 357 K HN -0.024 nan 8.250 nan 0.000 0.484 358 K N 0.454 120.860 120.400 0.010 0.000 2.332 358 K HA 0.103 4.424 4.320 0.002 0.000 0.246 358 K C -0.620 175.986 176.600 0.011 0.000 1.066 358 K CA -0.031 56.270 56.287 0.024 0.000 0.898 358 K CB 0.733 33.234 32.500 0.003 0.000 1.192 358 K HN 0.392 nan 8.250 nan 0.000 0.509 359 S N -0.142 115.559 115.700 0.002 0.000 2.619 359 S HA 0.041 4.512 4.470 0.002 0.000 0.280 359 S C 0.023 174.542 174.600 -0.135 0.000 1.150 359 S CA -0.763 57.417 58.200 -0.033 0.000 0.978 359 S CB 1.284 64.534 63.200 0.084 0.000 1.041 359 S HN 0.779 nan 8.310 nan 0.000 0.485 360 D N 3.073 123.255 120.400 -0.364 0.000 2.157 360 D HA -0.157 4.484 4.640 0.002 0.000 0.191 360 D C 0.094 176.156 176.300 -0.397 0.000 1.004 360 D CA 1.473 55.187 54.000 -0.477 0.000 0.854 360 D CB -0.003 40.379 40.800 -0.696 0.000 0.936 360 D HN 0.516 nan 8.370 nan 0.000 0.446 361 F N 1.566 121.530 119.950 0.024 0.000 2.418 361 F HA 0.155 4.683 4.527 0.002 0.000 0.341 361 F C 0.935 176.761 175.800 0.042 0.000 1.120 361 F CA -1.078 56.946 58.000 0.040 0.000 1.232 361 F CB 0.295 39.323 39.000 0.046 0.000 1.175 361 F HN -0.135 nan 8.300 nan 0.000 0.569 362 D N 3.169 123.698 120.400 0.216 0.000 2.295 362 D HA 0.104 4.745 4.640 0.002 0.000 0.248 362 D C -0.031 176.354 176.300 0.142 0.000 1.154 362 D CA -0.397 53.679 54.000 0.127 0.000 0.857 362 D CB 1.626 42.460 40.800 0.058 0.000 1.117 362 D HN 0.329 nan 8.370 nan 0.000 0.468 363 L N 3.436 124.748 121.223 0.148 0.000 2.791 363 L HA 0.042 4.383 4.340 0.002 0.000 0.239 363 L C 2.109 179.029 176.870 0.083 0.000 1.203 363 L CA 0.182 55.165 54.840 0.238 0.000 1.002 363 L CB -1.152 41.045 42.059 0.231 0.000 1.295 363 L HN 0.571 nan 8.230 nan 0.000 0.504 364 T N -1.750 112.783 114.554 -0.036 0.000 2.833 364 T HA -0.049 4.301 4.350 0.002 0.000 0.269 364 T C -0.326 174.244 174.700 -0.218 0.000 1.054 364 T CA 0.633 62.674 62.100 -0.097 0.000 1.135 364 T CB -1.158 67.661 68.868 -0.081 0.000 0.869 364 T HN 0.157 nan 8.240 nan 0.000 0.466 365 P HA 0.071 nan 4.420 nan 0.000 0.226 365 P C 0.208 177.112 177.300 -0.660 0.000 1.153 365 P CA 0.587 63.312 63.100 -0.624 0.000 0.777 365 P CB -0.365 30.767 31.700 -0.946 0.000 0.794 366 F N -0.719 119.162 119.950 -0.115 0.000 2.819 366 F HA 0.273 4.801 4.527 0.001 0.000 0.294 366 F C 1.125 176.892 175.800 -0.056 0.000 1.166 366 F CA -0.873 57.085 58.000 -0.071 0.000 1.374 366 F CB -0.698 38.271 39.000 -0.051 0.000 0.956 366 F HN -0.325 nan 8.300 nan 0.000 0.509 367 R N 0.681 121.170 120.500 -0.019 0.000 2.623 367 R HA 0.049 4.390 4.340 0.002 0.000 0.271 367 R C 1.321 177.584 176.300 -0.063 0.000 1.043 367 R CA -0.212 55.856 56.100 -0.053 0.000 1.083 367 R CB 0.480 30.708 30.300 -0.120 0.000 0.974 367 R HN 0.246 nan 8.270 nan 0.000 0.436 368 L N 2.526 123.739 121.223 -0.017 0.000 2.341 368 L HA -0.011 4.330 4.340 0.002 0.000 0.214 368 L C 1.482 178.328 176.870 -0.040 0.000 1.115 368 L CA 1.499 56.354 54.840 0.025 0.000 0.820 368 L CB -0.145 41.952 42.059 0.064 0.000 0.944 368 L HN 0.643 nan 8.230 nan 0.000 0.452 369 S N -0.190 115.459 115.700 -0.086 0.000 2.383 369 S HA -0.201 4.270 4.470 0.002 0.000 0.229 369 S C 1.903 176.396 174.600 -0.179 0.000 1.030 369 S CA 1.120 59.263 58.200 -0.094 0.000 1.002 369 S CB -0.414 62.736 63.200 -0.083 0.000 0.829 369 S HN 0.486 nan 8.310 nan 0.000 0.467 370 R N 0.546 120.826 120.500 -0.366 0.000 2.159 370 R HA -0.167 4.174 4.340 0.002 0.000 0.252 370 R C 0.371 176.387 176.300 -0.474 0.000 1.144 370 R CA 1.435 57.190 56.100 -0.575 0.000 0.961 370 R CB -0.597 29.059 30.300 -1.074 0.000 0.877 370 R HN 0.437 nan 8.270 nan 0.000 0.444 371 F N 0.000 119.965 119.950 0.025 0.000 2.286 371 F HA 0.000 4.528 4.527 0.002 0.000 0.279 371 F CA 0.000 58.017 58.000 0.028 0.000 1.383 371 F CB 0.000 39.022 39.000 0.037 0.000 1.145 371 F HN 0.000 nan 8.300 nan 0.000 0.574