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 3qbx_1_B DATA FIRST_RESID 2 DATA SEQUENCE PRYLGLMSGT SLDGMDIVLI EQGDRTTLLA SHYLPMPAGL REDILALCVP DATA SEQUENCE GPDEIARAAE VEQRWVALAA QGVRELLLQQ QMSPDEVRAI GSHGQTIRHE DATA SEQUENCE PARHFTVQIG NPALLAELTG IDVVADFRRR DVAAGGQGAP LVPAFHQALF DATA SEQUENCE GDDDTSRAVL NIGGFSNVSL LSPGKPVRGF DCGPGNVLMD AWIHHQRGEH DATA SEQUENCE FDRDGAWAAS GQVNHALLAS LLADEFFAAR GPKSTGRERF NLPWLQEHLA DATA SEQUENCE RHPALPAADI QATLLELSAR SISESLLDAQ PDCEEVLVCG GGAFNTALMK DATA SEQUENCE RLAMLMPEAR VASTDEYGIP PAWMEGMAFA WLAHRFLERL PGNCPDVTGA DATA SEQUENCE LGPRTLGALY PA 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 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.185 177.300 -0.192 0.000 1.155 2 P CA 0.000 63.034 63.100 -0.110 0.000 0.800 2 P CB 0.000 31.573 31.700 -0.211 0.000 0.726 3 R N -0.075 120.256 120.500 -0.281 0.000 2.428 3 R HA 0.695 5.035 4.340 -0.000 0.000 0.294 3 R C -0.954 175.104 176.300 -0.404 0.000 1.000 3 R CA -0.428 55.549 56.100 -0.205 0.000 0.960 3 R CB 0.765 31.007 30.300 -0.097 0.000 1.076 3 R HN 0.407 nan 8.270 nan 0.000 0.475 4 Y N 1.599 121.931 120.300 0.053 0.000 2.442 4 Y HA 0.346 4.896 4.550 -0.000 0.000 0.344 4 Y C -0.227 175.713 175.900 0.066 0.000 0.976 4 Y CA -0.903 57.241 58.100 0.072 0.000 1.040 4 Y CB 1.628 40.145 38.460 0.095 0.000 1.228 4 Y HN 0.250 nan 8.280 nan 0.000 0.451 5 L N 2.545 123.902 121.223 0.223 0.000 2.334 5 L HA 0.717 5.057 4.340 -0.000 0.000 0.277 5 L C 0.562 177.549 176.870 0.195 0.000 1.075 5 L CA -0.469 54.470 54.840 0.165 0.000 0.804 5 L CB 1.124 43.252 42.059 0.114 0.000 1.174 5 L HN 0.859 nan 8.230 nan 0.000 0.438 6 G N 2.877 111.779 108.800 0.170 0.000 2.470 6 G HA2 0.601 4.561 3.960 -0.000 0.000 0.320 6 G HA3 0.601 4.561 3.960 -0.000 0.000 0.320 6 G C -1.721 173.288 174.900 0.182 0.000 1.245 6 G CA -0.354 44.861 45.100 0.192 0.000 0.935 6 G HN 0.371 nan 8.290 nan 0.000 0.476 7 L N 2.687 124.020 121.223 0.183 0.000 2.372 7 L HA 0.857 5.196 4.340 -0.000 0.000 0.273 7 L C -0.708 176.237 176.870 0.126 0.000 0.989 7 L CA -0.875 54.052 54.840 0.145 0.000 0.841 7 L CB 1.831 43.967 42.059 0.128 0.000 1.225 7 L HN 0.525 nan 8.230 nan 0.000 0.414 8 M N 4.129 123.805 119.600 0.126 0.000 2.395 8 M HA 0.669 5.149 4.480 -0.000 0.000 0.307 8 M C -1.283 175.102 176.300 0.142 0.000 1.091 8 M CA -0.010 55.338 55.300 0.081 0.000 0.919 8 M CB 2.197 34.841 32.600 0.073 0.000 1.662 8 M HN 0.481 nan 8.290 nan 0.000 0.440 9 S N 3.001 118.824 115.700 0.205 0.000 2.779 9 S HA 0.817 5.287 4.470 -0.000 0.000 0.293 9 S C -0.273 174.427 174.600 0.166 0.000 1.150 9 S CA -0.299 58.039 58.200 0.229 0.000 1.057 9 S CB 0.406 63.884 63.200 0.464 0.000 1.021 9 S HN 1.019 nan 8.310 nan 0.000 0.485 10 G N 2.214 111.072 108.800 0.097 0.000 2.543 10 G HA2 0.319 4.279 3.960 -0.000 0.000 0.267 10 G HA3 0.319 4.279 3.960 -0.000 0.000 0.267 10 G C 0.939 175.893 174.900 0.090 0.000 1.406 10 G CA -0.089 45.048 45.100 0.061 0.000 1.048 10 G HN 0.602 nan 8.290 nan 0.000 0.548 11 T N -0.062 114.550 114.554 0.096 0.000 2.788 11 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 11 T C 2.670 177.420 174.700 0.083 0.000 1.044 11 T CA 1.901 64.079 62.100 0.129 0.000 1.139 11 T CB -0.277 68.709 68.868 0.197 0.000 0.867 11 T HN 0.467 nan 8.240 nan 0.000 0.454 12 S N 0.629 116.355 115.700 0.044 0.000 2.402 12 S HA -0.019 4.451 4.470 -0.000 0.000 0.229 12 S C 1.294 175.915 174.600 0.035 0.000 1.021 12 S CA 0.682 58.897 58.200 0.024 0.000 0.974 12 S CB -0.545 62.648 63.200 -0.011 0.000 0.800 12 S HN 0.548 nan 8.310 nan 0.000 0.484 13 L N 1.209 122.465 121.223 0.055 0.000 4.040 13 L HA -0.221 4.119 4.340 -0.000 0.000 0.410 13 L C 0.980 177.869 176.870 0.030 0.000 1.187 13 L CA 0.700 55.578 54.840 0.063 0.000 0.956 13 L CB -1.859 40.243 42.059 0.072 0.000 2.022 13 L HN 0.568 nan 8.230 nan 0.000 0.897 14 D N -0.212 120.204 120.400 0.028 0.000 2.162 14 D HA 0.142 4.782 4.640 -0.000 0.000 0.203 14 D C 1.063 177.398 176.300 0.058 0.000 0.967 14 D CA 1.439 55.456 54.000 0.028 0.000 0.840 14 D CB 0.448 41.271 40.800 0.038 0.000 0.972 14 D HN 0.490 nan 8.370 nan 0.000 0.482 15 G N -0.585 108.243 108.800 0.047 0.000 2.342 15 G HA2 0.397 4.357 3.960 -0.000 0.000 0.297 15 G HA3 0.397 4.357 3.960 -0.000 0.000 0.297 15 G C -1.373 173.434 174.900 -0.156 0.000 1.313 15 G CA -0.889 44.086 45.100 -0.208 0.000 0.830 15 G HN -0.001 nan 8.290 nan 0.000 0.506 16 M N 1.438 120.843 119.600 -0.325 0.000 2.188 16 M HA 0.329 4.809 4.480 -0.000 0.000 0.357 16 M C -1.093 175.181 176.300 -0.043 0.000 1.204 16 M CA -0.592 54.605 55.300 -0.171 0.000 1.095 16 M CB 1.273 33.702 32.600 -0.285 0.000 1.604 16 M HN 0.343 nan 8.290 nan 0.000 0.464 17 D N 4.400 124.873 120.400 0.121 0.000 2.249 17 D HA 0.565 5.204 4.640 -0.000 0.000 0.246 17 D C -0.510 175.960 176.300 0.282 0.000 1.114 17 D CA 0.069 54.264 54.000 0.326 0.000 0.854 17 D CB 1.645 42.618 40.800 0.288 0.000 1.132 17 D HN 0.456 nan 8.370 nan 0.000 0.461 18 I N 1.277 122.043 120.570 0.326 0.000 2.545 18 I HA 0.391 4.561 4.170 -0.000 0.000 0.292 18 I C -0.502 175.692 176.117 0.128 0.000 1.040 18 I CA -1.014 60.399 61.300 0.188 0.000 1.068 18 I CB 2.499 40.575 38.000 0.126 0.000 1.251 18 I HN -0.091 nan 8.210 nan 0.000 0.424 19 V N 5.977 125.955 119.914 0.108 0.000 2.760 19 V HA 0.461 4.581 4.120 -0.000 0.000 0.309 19 V C -1.048 175.075 176.094 0.048 0.000 1.077 19 V CA -0.644 61.684 62.300 0.047 0.000 0.910 19 V CB 2.786 34.698 31.823 0.147 0.000 1.008 19 V HN 0.464 nan 8.190 nan 0.000 0.424 20 L N 7.017 128.243 121.223 0.004 0.000 2.313 20 L HA 0.772 5.112 4.340 -0.000 0.000 0.283 20 L C -0.497 176.402 176.870 0.049 0.000 1.013 20 L CA 0.059 54.918 54.840 0.032 0.000 0.816 20 L CB 1.375 43.433 42.059 -0.002 0.000 1.236 20 L HN 0.671 nan 8.230 nan 0.000 0.419 21 I N 0.728 121.358 120.570 0.101 0.000 2.740 21 I HA 0.737 4.907 4.170 -0.000 0.000 0.303 21 I C -0.946 175.247 176.117 0.127 0.000 1.044 21 I CA -0.816 60.556 61.300 0.120 0.000 1.064 21 I CB 2.090 40.185 38.000 0.159 0.000 1.249 21 I HN 0.607 nan 8.210 nan 0.000 0.433 22 E N 3.396 123.658 120.200 0.102 0.000 2.134 22 E HA 0.363 4.713 4.350 -0.000 0.000 0.278 22 E C -1.166 175.498 176.600 0.108 0.000 0.959 22 E CA -0.328 56.124 56.400 0.086 0.000 0.783 22 E CB 1.402 31.131 29.700 0.049 0.000 1.095 22 E HN 0.604 nan 8.360 nan 0.000 0.399 23 Q N 3.315 123.188 119.800 0.121 0.000 2.363 23 Q HA 0.622 4.961 4.340 -0.000 0.000 0.265 23 Q C -0.519 175.489 176.000 0.012 0.000 1.032 23 Q CA -0.244 55.596 55.803 0.060 0.000 0.746 23 Q CB 1.334 30.072 28.738 -0.000 0.000 1.237 23 Q HN 0.664 nan 8.270 nan 0.000 0.475 24 G N 2.370 111.183 108.800 0.022 0.000 3.054 24 G HA2 0.081 4.041 3.960 -0.000 0.000 0.201 24 G HA3 0.081 4.041 3.960 -0.000 0.000 0.201 24 G C -0.104 174.827 174.900 0.051 0.000 1.694 24 G CA 0.074 45.197 45.100 0.039 0.000 0.742 24 G HN 0.606 nan 8.290 nan 0.000 0.790 25 D N 0.659 121.091 120.400 0.054 0.000 2.224 25 D HA 0.328 4.968 4.640 -0.000 0.000 0.205 25 D C 1.593 177.929 176.300 0.059 0.000 0.965 25 D CA 1.426 55.461 54.000 0.059 0.000 0.852 25 D CB 0.069 40.895 40.800 0.044 0.000 0.947 25 D HN 0.509 nan 8.370 nan 0.000 0.494 26 R N -0.177 120.352 120.500 0.049 0.000 2.885 26 R HA 0.716 5.056 4.340 -0.000 0.000 0.260 26 R C -0.746 175.590 176.300 0.060 0.000 1.107 26 R CA -0.790 55.332 56.100 0.037 0.000 0.978 26 R CB 0.178 30.482 30.300 0.006 0.000 1.227 26 R HN -0.021 nan 8.270 nan 0.000 0.473 27 T N 1.660 116.244 114.554 0.050 0.000 2.758 27 T HA 0.546 4.896 4.350 -0.000 0.000 0.285 27 T C -0.703 174.040 174.700 0.072 0.000 0.981 27 T CA -0.211 61.953 62.100 0.106 0.000 0.965 27 T CB 1.214 70.197 68.868 0.191 0.000 0.927 27 T HN 0.594 nan 8.240 nan 0.000 0.448 28 T N 3.883 118.487 114.554 0.083 0.000 2.809 28 T HA 0.375 4.725 4.350 -0.000 0.000 0.284 28 T C -0.293 174.451 174.700 0.075 0.000 0.992 28 T CA -0.706 61.433 62.100 0.065 0.000 0.957 28 T CB 1.126 70.021 68.868 0.046 0.000 0.942 28 T HN 0.378 nan 8.240 nan 0.000 0.439 29 L N 4.769 126.037 121.223 0.074 0.000 2.500 29 L HA 0.276 4.616 4.340 -0.000 0.000 0.272 29 L C 0.612 177.491 176.870 0.015 0.000 1.149 29 L CA 0.279 55.151 54.840 0.053 0.000 0.897 29 L CB -0.261 41.835 42.059 0.061 0.000 1.178 29 L HN 0.748 nan 8.230 nan 0.000 0.473 30 L N 4.914 126.138 121.223 0.001 0.000 2.298 30 L HA 0.452 4.792 4.340 -0.000 0.000 0.209 30 L C 0.695 177.533 176.870 -0.053 0.000 1.084 30 L CA 0.567 55.397 54.840 -0.016 0.000 0.816 30 L CB -0.134 41.921 42.059 -0.006 0.000 0.967 30 L HN 0.814 nan 8.230 nan 0.000 0.460 31 A N -0.805 121.962 122.820 -0.090 0.000 2.597 31 A HA 0.614 4.934 4.320 -0.000 0.000 0.292 31 A C -1.072 176.359 177.584 -0.257 0.000 1.057 31 A CA -0.252 51.696 52.037 -0.148 0.000 0.674 31 A CB 1.297 20.235 19.000 -0.103 0.000 1.278 31 A HN 0.004 nan 8.150 nan 0.000 0.416 32 S N 0.333 115.793 115.700 -0.399 0.000 2.546 32 S HA 0.817 5.286 4.470 -0.000 0.000 0.274 32 S C -1.071 173.285 174.600 -0.408 0.000 1.121 32 S CA -0.556 57.214 58.200 -0.717 0.000 0.887 32 S CB 1.654 63.736 63.200 -1.863 0.000 1.094 32 S HN 1.755 nan 8.310 nan 0.000 0.474 33 H N 0.427 119.281 119.070 -0.360 0.000 2.947 33 H HA 0.540 5.096 4.556 -0.000 0.000 0.354 33 H C -2.248 173.225 175.328 0.241 0.000 1.085 33 H CA -0.551 55.477 56.048 -0.034 0.000 1.253 33 H CB 1.352 31.091 29.762 -0.038 0.000 1.757 33 H HN 0.784 nan 8.280 nan 0.000 0.523 34 Y N 5.503 125.678 120.300 -0.208 0.000 2.352 34 Y HA 0.550 5.100 4.550 -0.000 0.000 0.339 34 Y C -1.854 173.795 175.900 -0.419 0.000 0.992 34 Y CA -1.108 56.924 58.100 -0.114 0.000 1.100 34 Y CB 1.048 39.569 38.460 0.101 0.000 1.192 34 Y HN 0.630 nan 8.280 nan 0.000 0.458 35 L N 9.728 130.396 121.223 -0.925 0.000 2.372 35 L HA 0.628 4.968 4.340 -0.000 0.000 0.274 35 L C -2.625 173.697 176.870 -0.914 0.000 0.988 35 L CA -2.781 51.620 54.840 -0.733 0.000 0.833 35 L CB 1.579 43.389 42.059 -0.416 0.000 1.236 35 L HN 0.493 nan 8.230 nan 0.000 0.410 36 P HA 0.046 nan 4.420 nan 0.000 0.267 36 P C -0.772 176.378 177.300 -0.250 0.000 1.200 36 P CA -0.207 62.671 63.100 -0.371 0.000 0.772 36 P CB 0.639 32.291 31.700 -0.079 0.000 0.855 37 M N 4.233 123.732 119.600 -0.168 0.000 2.209 37 M HA 0.386 4.866 4.480 -0.000 0.000 0.355 37 M C -2.347 173.924 176.300 -0.049 0.000 1.171 37 M CA -2.311 52.927 55.300 -0.104 0.000 1.069 37 M CB 1.100 33.664 32.600 -0.060 0.000 1.622 37 M HN 0.144 nan 8.290 nan 0.000 0.459 38 P HA 0.129 nan 4.420 nan 0.000 0.269 38 P C -0.270 177.041 177.300 0.019 0.000 1.215 38 P CA -0.059 63.039 63.100 -0.003 0.000 0.780 38 P CB 0.557 32.257 31.700 0.000 0.000 0.898 39 A N 2.800 125.641 122.820 0.035 0.000 1.917 39 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 39 A C 2.317 179.935 177.584 0.057 0.000 1.182 39 A CA 2.334 54.406 52.037 0.058 0.000 0.633 39 A CB -1.855 17.192 19.000 0.077 0.000 0.819 39 A HN 0.657 nan 8.150 nan 0.000 0.448 40 G N -0.378 108.451 108.800 0.047 0.000 2.476 40 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 40 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 40 G C 1.489 176.419 174.900 0.050 0.000 1.164 40 G CA 1.340 46.467 45.100 0.046 0.000 0.768 40 G HN 0.482 nan 8.290 nan 0.000 0.560 41 L N 0.617 121.870 121.223 0.049 0.000 2.056 41 L HA 0.134 4.474 4.340 -0.000 0.000 0.207 41 L C 2.772 179.688 176.870 0.077 0.000 1.078 41 L CA 2.056 56.935 54.840 0.065 0.000 0.749 41 L CB -0.675 41.423 42.059 0.065 0.000 0.901 41 L HN 0.286 nan 8.230 nan 0.000 0.433 42 R N -0.602 119.938 120.500 0.067 0.000 2.080 42 R HA -0.185 4.154 4.340 -0.000 0.000 0.236 42 R C 2.011 178.355 176.300 0.073 0.000 1.137 42 R CA 1.779 57.921 56.100 0.071 0.000 0.943 42 R CB -0.205 30.128 30.300 0.055 0.000 0.846 42 R HN 0.363 nan 8.270 nan 0.000 0.431 43 E N 0.733 120.976 120.200 0.071 0.000 2.110 43 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 43 E C 1.675 178.313 176.600 0.064 0.000 0.988 43 E CA 1.125 57.568 56.400 0.072 0.000 0.804 43 E CB -0.266 29.478 29.700 0.073 0.000 0.745 43 E HN 0.450 nan 8.360 nan 0.000 0.458 44 D N 0.467 120.903 120.400 0.060 0.000 2.144 44 D HA -0.063 4.577 4.640 -0.000 0.000 0.200 44 D C 2.140 178.471 176.300 0.050 0.000 0.978 44 D CA 0.499 54.530 54.000 0.052 0.000 0.833 44 D CB -0.183 40.647 40.800 0.050 0.000 0.961 44 D HN 0.199 nan 8.370 nan 0.000 0.470 45 I N 0.542 121.148 120.570 0.060 0.000 2.142 45 I HA -0.236 3.934 4.170 -0.000 0.000 0.240 45 I C 2.442 178.590 176.117 0.053 0.000 1.078 45 I CA 0.719 62.050 61.300 0.053 0.000 1.343 45 I CB -0.191 37.853 38.000 0.073 0.000 1.046 45 I HN -0.032 nan 8.210 nan 0.000 0.405 46 L N 0.550 121.812 121.223 0.065 0.000 2.079 46 L HA -0.248 4.091 4.340 -0.000 0.000 0.210 46 L C 2.780 179.687 176.870 0.063 0.000 1.081 46 L CA 1.388 56.270 54.840 0.070 0.000 0.752 46 L CB -0.708 41.399 42.059 0.079 0.000 0.896 46 L HN 0.289 nan 8.230 nan 0.000 0.433 47 A N -0.298 122.555 122.820 0.056 0.000 2.015 47 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 47 A C 2.102 179.711 177.584 0.041 0.000 1.163 47 A CA 1.168 53.234 52.037 0.049 0.000 0.646 47 A CB -0.492 18.535 19.000 0.045 0.000 0.806 47 A HN 0.417 nan 8.150 nan 0.000 0.448 48 L N -1.138 120.106 121.223 0.036 0.000 2.599 48 L HA -0.051 4.289 4.340 -0.000 0.000 0.230 48 L C 1.616 178.507 176.870 0.035 0.000 1.141 48 L CA -0.050 54.807 54.840 0.028 0.000 0.877 48 L CB -0.159 41.907 42.059 0.013 0.000 1.009 48 L HN 0.422 nan 8.230 nan 0.000 0.447 49 C N -0.815 118.512 119.300 0.045 0.000 2.562 49 C HA 0.132 4.592 4.460 -0.000 0.000 0.266 49 C C 1.134 176.155 174.990 0.052 0.000 1.382 49 C CA -0.503 58.546 59.018 0.052 0.000 1.742 49 C CB -0.766 27.013 27.740 0.065 0.000 1.812 49 C HN 0.336 nan 8.230 nan 0.000 0.559 50 V N -2.978 116.966 119.914 0.049 0.000 2.960 50 V HA 0.623 4.743 4.120 -0.000 0.000 0.315 50 V C -2.999 173.120 176.094 0.041 0.000 1.087 50 V CA -2.835 59.492 62.300 0.045 0.000 0.982 50 V CB 0.645 32.496 31.823 0.047 0.000 1.039 50 V HN -0.191 nan 8.190 nan 0.000 0.437 51 P HA 0.504 nan 4.420 nan 0.000 0.266 51 P C 0.112 177.428 177.300 0.028 0.000 1.195 51 P CA 0.804 63.925 63.100 0.034 0.000 0.768 51 P CB 0.626 32.346 31.700 0.033 0.000 0.838 52 G N 2.389 111.201 108.800 0.021 0.000 2.600 52 G HA2 0.569 4.529 3.960 -0.000 0.000 0.293 52 G HA3 0.569 4.529 3.960 -0.000 0.000 0.293 52 G C -3.184 171.723 174.900 0.012 0.000 1.408 52 G CA -0.964 44.148 45.100 0.019 0.000 0.782 52 G HN 0.304 nan 8.290 nan 0.000 0.482 53 P HA 0.320 nan 4.420 nan 0.000 0.277 53 P C -0.312 176.991 177.300 0.004 0.000 1.240 53 P CA 0.267 63.371 63.100 0.007 0.000 0.798 53 P CB 1.257 32.962 31.700 0.009 0.000 0.979 54 D N 0.094 120.494 120.400 0.000 0.000 2.708 54 D HA -0.176 4.464 4.640 -0.000 0.000 0.236 54 D C 0.708 177.006 176.300 -0.004 0.000 1.146 54 D CA 1.073 55.072 54.000 -0.002 0.000 0.662 54 D CB -1.165 39.636 40.800 0.001 0.000 1.059 54 D HN 0.497 nan 8.370 nan 0.000 0.428 55 E N -0.458 119.738 120.200 -0.007 0.000 2.150 55 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 55 E C 2.085 178.675 176.600 -0.016 0.000 0.985 55 E CA 0.799 57.193 56.400 -0.009 0.000 0.814 55 E CB 0.165 29.858 29.700 -0.010 0.000 0.752 55 E HN 0.477 nan 8.360 nan 0.000 0.466 56 I N 1.168 121.726 120.570 -0.021 0.000 2.142 56 I HA -0.249 3.921 4.170 -0.000 0.000 0.240 56 I C 2.492 178.598 176.117 -0.019 0.000 1.078 56 I CA 1.341 62.626 61.300 -0.025 0.000 1.343 56 I CB -1.435 36.549 38.000 -0.026 0.000 1.046 56 I HN 0.044 nan 8.210 nan 0.000 0.405 57 A N 0.706 123.519 122.820 -0.012 0.000 1.873 57 A HA -0.190 4.130 4.320 -0.000 0.000 0.215 57 A C 2.477 180.058 177.584 -0.005 0.000 1.186 57 A CA 1.348 53.380 52.037 -0.007 0.000 0.616 57 A CB -0.600 18.398 19.000 -0.004 0.000 0.823 57 A HN 0.317 nan 8.150 nan 0.000 0.442 58 R N -0.489 120.010 120.500 -0.003 0.000 2.091 58 R HA -0.118 4.222 4.340 -0.000 0.000 0.238 58 R C 2.430 178.729 176.300 -0.002 0.000 1.136 58 R CA 1.345 57.447 56.100 0.002 0.000 0.959 58 R CB -0.449 29.854 30.300 0.005 0.000 0.856 58 R HN 0.521 nan 8.270 nan 0.000 0.437 59 A N 0.935 123.748 122.820 -0.013 0.000 1.930 59 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 59 A C 2.336 179.904 177.584 -0.027 0.000 1.175 59 A CA 1.437 53.459 52.037 -0.026 0.000 0.627 59 A CB -0.559 18.418 19.000 -0.039 0.000 0.815 59 A HN 0.392 nan 8.150 nan 0.000 0.443 60 A N -0.626 122.181 122.820 -0.021 0.000 1.902 60 A HA 0.042 4.362 4.320 -0.000 0.000 0.217 60 A C 2.154 179.737 177.584 -0.002 0.000 1.181 60 A CA 2.417 54.444 52.037 -0.016 0.000 0.623 60 A CB -0.970 18.022 19.000 -0.013 0.000 0.818 60 A HN 0.719 nan 8.150 nan 0.000 0.443 61 E N -0.798 119.405 120.200 0.004 0.000 2.072 61 E HA 0.031 4.381 4.350 -0.000 0.000 0.190 61 E C 2.045 178.662 176.600 0.029 0.000 0.982 61 E CA 1.240 57.650 56.400 0.016 0.000 0.803 61 E CB -1.103 28.605 29.700 0.014 0.000 0.755 61 E HN 0.362 nan 8.360 nan 0.000 0.453 62 V N 1.413 121.343 119.914 0.027 0.000 2.332 62 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 62 V C 2.639 178.781 176.094 0.079 0.000 1.055 62 V CA 2.366 64.695 62.300 0.048 0.000 1.038 62 V CB -0.311 31.530 31.823 0.030 0.000 0.651 62 V HN 0.752 nan 8.190 nan 0.000 0.450 63 E N -0.584 119.637 120.200 0.035 0.000 2.110 63 E HA -0.262 4.088 4.350 -0.000 0.000 0.193 63 E C 2.300 178.972 176.600 0.120 0.000 0.988 63 E CA 1.214 57.637 56.400 0.038 0.000 0.804 63 E CB -0.125 29.548 29.700 -0.045 0.000 0.745 63 E HN 0.570 nan 8.360 nan 0.000 0.458 64 Q N 0.252 120.098 119.800 0.076 0.000 2.061 64 Q HA -0.190 4.150 4.340 -0.000 0.000 0.204 64 Q C 2.307 178.359 176.000 0.088 0.000 0.984 64 Q CA 1.582 57.427 55.803 0.070 0.000 0.846 64 Q CB -0.087 28.676 28.738 0.041 0.000 0.902 64 Q HN 0.330 nan 8.270 nan 0.000 0.421 65 R N -1.124 119.434 120.500 0.096 0.000 2.090 65 R HA -0.147 4.193 4.340 -0.000 0.000 0.228 65 R C 1.948 178.308 176.300 0.101 0.000 1.110 65 R CA 1.163 57.309 56.100 0.077 0.000 0.973 65 R CB -0.371 29.971 30.300 0.070 0.000 0.869 65 R HN 0.334 nan 8.270 nan 0.000 0.440 66 W N 0.986 122.270 121.300 -0.027 0.000 2.335 66 W HA -0.226 4.434 4.660 -0.000 0.000 0.311 66 W C 1.819 178.315 176.519 -0.037 0.000 1.213 66 W CA 1.328 58.653 57.345 -0.033 0.000 1.274 66 W CB -0.190 29.250 29.460 -0.034 0.000 1.148 66 W HN -0.235 nan 8.180 nan 0.000 0.498 67 V N 1.127 121.240 119.914 0.331 0.000 2.358 67 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 67 V C 2.462 178.542 176.094 -0.025 0.000 1.047 67 V CA 2.026 64.425 62.300 0.165 0.000 1.035 67 V CB -1.713 30.224 31.823 0.190 0.000 0.658 67 V HN 0.350 nan 8.190 nan 0.000 0.452 68 A N -0.187 122.627 122.820 -0.009 0.000 1.908 68 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 68 A C 2.178 179.706 177.584 -0.093 0.000 1.181 68 A CA 2.130 54.144 52.037 -0.039 0.000 0.627 68 A CB -0.568 18.422 19.000 -0.015 0.000 0.818 68 A HN 0.452 nan 8.150 nan 0.000 0.445 69 L N -0.410 120.726 121.223 -0.145 0.000 2.046 69 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 69 L C 2.734 179.439 176.870 -0.275 0.000 1.077 69 L CA 2.074 56.789 54.840 -0.209 0.000 0.747 69 L CB -0.660 41.243 42.059 -0.260 0.000 0.896 69 L HN 0.351 nan 8.230 nan 0.000 0.432 70 A N -0.563 122.014 122.820 -0.405 0.000 1.877 70 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 70 A C 2.458 179.932 177.584 -0.184 0.000 1.186 70 A CA 1.850 53.652 52.037 -0.391 0.000 0.620 70 A CB -1.239 17.419 19.000 -0.570 0.000 0.822 70 A HN 0.545 nan 8.150 nan 0.000 0.443 71 A N -0.703 122.040 122.820 -0.129 0.000 1.908 71 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 71 A C 2.228 179.778 177.584 -0.058 0.000 1.181 71 A CA 1.988 53.985 52.037 -0.067 0.000 0.627 71 A CB -0.704 18.269 19.000 -0.044 0.000 0.818 71 A HN 0.697 nan 8.150 nan 0.000 0.445 72 Q N -0.644 119.116 119.800 -0.068 0.000 2.077 72 Q HA -0.164 4.175 4.340 -0.000 0.000 0.206 72 Q C 2.040 178.024 176.000 -0.028 0.000 0.989 72 Q CA 2.007 57.781 55.803 -0.048 0.000 0.853 72 Q CB -0.584 28.121 28.738 -0.056 0.000 0.907 72 Q HN 0.572 nan 8.270 nan 0.000 0.418 73 G N -0.132 108.648 108.800 -0.033 0.000 2.408 73 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.217 73 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.217 73 G C 1.424 176.362 174.900 0.064 0.000 1.150 73 G CA 0.820 45.957 45.100 0.061 0.000 0.776 73 G HN 0.298 nan 8.290 nan 0.000 0.542 74 V N 0.553 120.466 119.914 -0.002 0.000 2.343 74 V HA -0.157 3.963 4.120 -0.000 0.000 0.247 74 V C 2.789 178.860 176.094 -0.037 0.000 1.051 74 V CA 2.114 64.408 62.300 -0.011 0.000 1.036 74 V CB -0.442 31.374 31.823 -0.012 0.000 0.654 74 V HN 0.395 nan 8.190 nan 0.000 0.451 75 R N 0.064 120.540 120.500 -0.040 0.000 2.083 75 R HA -0.220 4.119 4.340 -0.000 0.000 0.237 75 R C 2.312 178.563 176.300 -0.082 0.000 1.137 75 R CA 2.189 58.259 56.100 -0.050 0.000 0.951 75 R CB -0.226 30.051 30.300 -0.039 0.000 0.851 75 R HN 0.641 nan 8.270 nan 0.000 0.434 76 E N 0.590 120.727 120.200 -0.105 0.000 2.051 76 E HA -0.235 4.114 4.350 -0.000 0.000 0.192 76 E C 2.110 178.507 176.600 -0.337 0.000 0.991 76 E CA 1.420 57.699 56.400 -0.201 0.000 0.799 76 E CB -0.228 29.356 29.700 -0.192 0.000 0.748 76 E HN 0.347 nan 8.360 nan 0.000 0.449 77 L N 0.901 121.910 121.223 -0.356 0.000 1.989 77 L HA -0.217 4.123 4.340 -0.000 0.000 0.211 77 L C 2.248 179.018 176.870 -0.166 0.000 1.071 77 L CA 1.300 55.961 54.840 -0.298 0.000 0.749 77 L CB -0.107 41.870 42.059 -0.137 0.000 0.890 77 L HN 0.151 nan 8.230 nan 0.000 0.431 78 L N -0.665 120.491 121.223 -0.112 0.000 2.046 78 L HA -0.245 4.094 4.340 -0.000 0.000 0.208 78 L C 2.555 179.381 176.870 -0.074 0.000 1.077 78 L CA 1.136 55.931 54.840 -0.075 0.000 0.747 78 L CB -0.534 41.494 42.059 -0.052 0.000 0.896 78 L HN 0.335 nan 8.230 nan 0.000 0.432 79 L N -0.679 120.494 121.223 -0.083 0.000 2.017 79 L HA -0.257 4.083 4.340 -0.000 0.000 0.208 79 L C 2.624 179.448 176.870 -0.076 0.000 1.073 79 L CA 1.456 56.253 54.840 -0.071 0.000 0.745 79 L CB -0.474 41.543 42.059 -0.070 0.000 0.894 79 L HN 0.348 nan 8.230 nan 0.000 0.432 80 Q N -0.819 118.916 119.800 -0.108 0.000 2.291 80 Q HA -0.158 4.182 4.340 -0.000 0.000 0.205 80 Q C 1.810 177.764 176.000 -0.078 0.000 0.970 80 Q CA 0.830 56.574 55.803 -0.099 0.000 0.876 80 Q CB 0.179 28.832 28.738 -0.142 0.000 0.935 80 Q HN 0.445 nan 8.270 nan 0.000 0.455 81 Q N -0.211 119.543 119.800 -0.078 0.000 2.319 81 Q HA 0.046 4.386 4.340 -0.000 0.000 0.202 81 Q C -0.294 175.678 176.000 -0.045 0.000 0.896 81 Q CA 0.199 55.967 55.803 -0.059 0.000 0.942 81 Q CB 0.809 29.510 28.738 -0.061 0.000 1.083 81 Q HN 0.369 nan 8.270 nan 0.000 0.510 82 Q N 0.363 120.136 119.800 -0.045 0.000 2.478 82 Q HA -0.179 4.161 4.340 -0.000 0.000 0.286 82 Q C -0.298 175.683 176.000 -0.031 0.000 1.299 82 Q CA 0.703 56.485 55.803 -0.035 0.000 0.826 82 Q CB -1.885 26.836 28.738 -0.028 0.000 1.199 82 Q HN 0.444 nan 8.270 nan 0.000 0.451 83 M N -2.351 117.228 119.600 -0.035 0.000 2.572 83 M HA 0.705 5.185 4.480 -0.000 0.000 0.299 83 M C -0.057 176.225 176.300 -0.030 0.000 1.205 83 M CA -0.885 54.397 55.300 -0.030 0.000 0.876 83 M CB 2.154 34.736 32.600 -0.031 0.000 1.728 83 M HN 0.053 nan 8.290 nan 0.000 0.458 84 S N 0.454 116.139 115.700 -0.025 0.000 2.632 84 S HA 0.542 5.012 4.470 -0.000 0.000 0.271 84 S C -2.140 172.447 174.600 -0.022 0.000 1.260 84 S CA -1.012 57.174 58.200 -0.022 0.000 1.010 84 S CB 0.905 64.094 63.200 -0.018 0.000 0.965 84 S HN 0.645 nan 8.310 nan 0.000 0.534 85 P HA -0.113 nan 4.420 nan 0.000 0.218 85 P C 0.507 177.798 177.300 -0.015 0.000 1.146 85 P CA 1.243 64.335 63.100 -0.014 0.000 0.820 85 P CB -0.081 31.614 31.700 -0.009 0.000 0.778 86 D N -0.522 119.869 120.400 -0.015 0.000 2.310 86 D HA -0.114 4.526 4.640 -0.000 0.000 0.212 86 D C 1.378 177.662 176.300 -0.026 0.000 0.965 86 D CA 0.802 54.792 54.000 -0.016 0.000 0.879 86 D CB -0.301 40.492 40.800 -0.013 0.000 0.921 86 D HN 0.404 nan 8.370 nan 0.000 0.510 87 E N 0.263 120.445 120.200 -0.030 0.000 2.478 87 E HA 0.050 4.400 4.350 -0.000 0.000 0.194 87 E C 0.076 176.639 176.600 -0.061 0.000 1.045 87 E CA 0.036 56.412 56.400 -0.040 0.000 0.868 87 E CB 0.881 30.561 29.700 -0.034 0.000 0.885 87 E HN 0.020 nan 8.360 nan 0.000 0.505 88 V N 1.498 121.377 119.914 -0.058 0.000 2.394 88 V HA 0.176 4.296 4.120 -0.000 0.000 0.282 88 V C 1.113 177.148 176.094 -0.099 0.000 1.031 88 V CA -0.387 61.863 62.300 -0.082 0.000 0.881 88 V CB 1.698 33.501 31.823 -0.034 0.000 0.982 88 V HN 0.074 nan 8.190 nan 0.000 0.451 89 R N 2.794 123.167 120.500 -0.211 0.000 2.073 89 R HA 0.273 4.613 4.340 -0.000 0.000 0.229 89 R C 0.542 176.829 176.300 -0.021 0.000 1.120 89 R CA 1.345 57.341 56.100 -0.173 0.000 0.967 89 R CB 0.234 30.317 30.300 -0.362 0.000 0.862 89 R HN 0.884 nan 8.270 nan 0.000 0.436 90 A N -0.266 122.582 122.820 0.045 0.000 2.597 90 A HA 0.444 4.764 4.320 -0.000 0.000 0.292 90 A C -1.414 176.314 177.584 0.239 0.000 1.057 90 A CA -0.789 51.364 52.037 0.192 0.000 0.674 90 A CB 0.988 20.167 19.000 0.298 0.000 1.278 90 A HN 0.143 nan 8.150 nan 0.000 0.416 91 I N 1.628 122.311 120.570 0.188 0.000 2.321 91 I HA 0.470 4.640 4.170 -0.000 0.000 0.291 91 I C 0.930 177.188 176.117 0.236 0.000 0.998 91 I CA -0.428 60.986 61.300 0.190 0.000 1.227 91 I CB 1.818 39.894 38.000 0.127 0.000 1.368 91 I HN 0.769 nan 8.210 nan 0.000 0.466 92 G N 3.894 112.869 108.800 0.291 0.000 2.393 92 G HA2 0.303 4.263 3.960 -0.000 0.000 0.311 92 G HA3 0.303 4.263 3.960 -0.000 0.000 0.311 92 G C -0.356 174.787 174.900 0.405 0.000 1.067 92 G CA -0.170 45.181 45.100 0.418 0.000 1.000 92 G HN 0.521 nan 8.290 nan 0.000 0.422 93 S N 1.627 117.589 115.700 0.437 0.000 2.456 93 S HA 0.223 4.693 4.470 -0.000 0.000 0.316 93 S C 0.995 175.755 174.600 0.267 0.000 1.089 93 S CA -0.647 57.723 58.200 0.283 0.000 1.101 93 S CB 0.903 64.216 63.200 0.188 0.000 0.995 93 S HN 0.753 nan 8.310 nan 0.000 0.468 94 H N 4.967 123.950 119.070 -0.146 0.000 2.423 94 H HA 0.264 4.820 4.556 -0.000 0.000 0.297 94 H C 1.298 176.530 175.328 -0.160 0.000 1.075 94 H CA 2.149 57.967 56.048 -0.383 0.000 1.342 94 H CB -0.364 28.784 29.762 -1.022 0.000 1.395 94 H HN 1.041 nan 8.280 nan 0.000 0.530 95 G N -0.225 108.440 108.800 -0.225 0.000 2.525 95 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.248 95 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.248 95 G C -0.738 173.852 174.900 -0.518 0.000 1.238 95 G CA 0.119 44.870 45.100 -0.581 0.000 0.926 95 G HN 0.725 nan 8.290 nan 0.000 0.574 96 Q N -0.418 118.976 119.800 -0.676 0.000 2.275 96 Q HA 0.628 4.968 4.340 -0.000 0.000 0.266 96 Q C -0.277 175.584 176.000 -0.231 0.000 1.002 96 Q CA 0.016 55.603 55.803 -0.360 0.000 0.761 96 Q CB 1.440 29.840 28.738 -0.563 0.000 1.255 96 Q HN 0.771 nan 8.270 nan 0.000 0.446 97 T N 5.558 120.101 114.554 -0.018 0.000 2.769 97 T HA 0.209 4.559 4.350 -0.000 0.000 0.293 97 T C 1.084 175.785 174.700 0.003 0.000 0.931 97 T CA 0.166 62.275 62.100 0.015 0.000 1.139 97 T CB -0.137 68.790 68.868 0.100 0.000 0.881 97 T HN 0.673 nan 8.240 nan 0.000 0.532 98 I N 0.059 120.624 120.570 -0.008 0.000 4.057 98 I HA 0.581 4.751 4.170 -0.000 0.000 0.334 98 I C 0.522 176.670 176.117 0.051 0.000 1.308 98 I CA -0.411 60.897 61.300 0.014 0.000 1.125 98 I CB 0.410 38.403 38.000 -0.012 0.000 1.034 98 I HN 0.225 nan 8.210 nan 0.000 0.401 99 R N 0.611 121.159 120.500 0.079 0.000 2.563 99 R HA 0.419 4.759 4.340 -0.000 0.000 0.262 99 R C -1.897 174.477 176.300 0.124 0.000 1.128 99 R CA -0.552 55.613 56.100 0.109 0.000 0.969 99 R CB 0.843 31.260 30.300 0.195 0.000 1.251 99 R HN 0.280 nan 8.270 nan 0.000 0.442 100 H N 1.982 120.994 119.070 -0.098 0.000 3.078 100 H HA 0.439 4.995 4.556 -0.000 0.000 0.319 100 H C -1.150 173.996 175.328 -0.303 0.000 0.995 100 H CA -0.395 55.552 56.048 -0.169 0.000 1.417 100 H CB 1.153 30.830 29.762 -0.141 0.000 1.598 100 H HN 0.446 nan 8.280 nan 0.000 0.515 101 E N 6.775 126.492 120.200 -0.806 0.000 3.786 101 E HA 0.134 4.484 4.350 -0.000 0.000 0.215 101 E C -2.128 173.985 176.600 -0.811 0.000 1.188 101 E CA -1.618 54.258 56.400 -0.872 0.000 1.248 101 E CB 1.313 30.290 29.700 -1.204 0.000 1.260 101 E HN 0.603 nan 8.360 nan 0.000 0.426 102 P HA -0.179 nan 4.420 nan 0.000 0.218 102 P C 1.226 178.260 177.300 -0.444 0.000 1.148 102 P CA 1.062 63.866 63.100 -0.493 0.000 0.822 102 P CB 0.311 31.782 31.700 -0.381 0.000 0.784 103 A N 0.184 122.753 122.820 -0.418 0.000 2.067 103 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 103 A C 2.097 179.400 177.584 -0.467 0.000 1.158 103 A CA 0.958 52.763 52.037 -0.387 0.000 0.661 103 A CB -0.889 17.961 19.000 -0.250 0.000 0.801 103 A HN 0.158 nan 8.150 nan 0.000 0.452 104 R N -1.142 119.104 120.500 -0.423 0.000 2.388 104 R HA 0.140 4.480 4.340 -0.000 0.000 0.247 104 R C -0.462 175.818 176.300 -0.033 0.000 0.931 104 R CA 0.017 55.997 56.100 -0.199 0.000 1.082 104 R CB -0.024 30.239 30.300 -0.061 0.000 1.135 104 R HN 0.625 nan 8.270 nan 0.000 0.525 105 H N -0.684 118.342 119.070 -0.072 0.000 2.839 105 H HA -0.195 4.361 4.556 -0.000 0.000 0.298 105 H C -0.761 174.638 175.328 0.118 0.000 1.224 105 H CA 1.322 57.377 56.048 0.010 0.000 1.144 105 H CB -2.314 27.481 29.762 0.054 0.000 1.372 105 H HN 0.330 nan 8.280 nan 0.000 0.408 106 F N -1.820 118.127 119.950 -0.005 0.000 2.631 106 F HA 0.685 5.212 4.527 -0.000 0.000 0.308 106 F C -0.705 175.077 175.800 -0.030 0.000 1.097 106 F CA -0.775 57.226 58.000 0.002 0.000 0.952 106 F CB 2.241 41.246 39.000 0.009 0.000 1.307 106 F HN -0.033 nan 8.300 nan 0.000 0.450 107 T N 2.085 116.786 114.554 0.244 0.000 2.952 107 T HA 0.648 4.998 4.350 -0.000 0.000 0.305 107 T C -2.113 172.728 174.700 0.236 0.000 1.064 107 T CA -0.501 61.727 62.100 0.214 0.000 1.008 107 T CB 1.556 70.596 68.868 0.286 0.000 1.078 107 T HN 0.739 nan 8.240 nan 0.000 0.459 108 V N 5.369 125.402 119.914 0.199 0.000 2.326 108 V HA 0.501 4.621 4.120 -0.000 0.000 0.281 108 V C -0.652 175.438 176.094 -0.006 0.000 1.015 108 V CA -0.777 61.581 62.300 0.097 0.000 0.823 108 V CB 1.155 33.044 31.823 0.109 0.000 1.009 108 V HN 0.794 nan 8.190 nan 0.000 0.436 109 Q N 4.228 123.974 119.800 -0.091 0.000 2.307 109 Q HA 0.679 5.019 4.340 -0.000 0.000 0.262 109 Q C -0.224 175.611 176.000 -0.276 0.000 0.961 109 Q CA -0.205 55.453 55.803 -0.243 0.000 0.882 109 Q CB 2.230 30.728 28.738 -0.400 0.000 1.264 109 Q HN 0.854 nan 8.270 nan 0.000 0.446 110 I N -2.154 118.202 120.570 -0.356 0.000 3.062 110 I HA 0.963 5.133 4.170 -0.000 0.000 0.316 110 I C 0.484 176.233 176.117 -0.614 0.000 1.041 110 I CA -0.952 60.122 61.300 -0.376 0.000 1.069 110 I CB 1.699 39.521 38.000 -0.296 0.000 1.300 110 I HN 0.595 nan 8.210 nan 0.000 0.518 111 G N 1.993 110.499 108.800 -0.489 0.000 2.325 111 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.214 111 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.214 111 G C -0.160 174.632 174.900 -0.181 0.000 1.087 111 G CA -0.386 44.428 45.100 -0.476 0.000 0.811 111 G HN 0.941 nan 8.290 nan 0.000 0.486 112 N N 0.412 119.017 118.700 -0.157 0.000 2.998 112 N HA -0.118 4.622 4.740 -0.000 0.000 0.310 112 N C -0.622 174.758 175.510 -0.217 0.000 1.111 112 N CA 0.549 53.509 53.050 -0.150 0.000 0.815 112 N CB 0.465 38.913 38.487 -0.065 0.000 0.986 112 N HN 0.296 nan 8.380 nan 0.000 0.616 113 P HA -0.058 nan 4.420 nan 0.000 0.220 113 P C 0.912 177.900 177.300 -0.520 0.000 1.148 113 P CA 1.454 64.154 63.100 -0.667 0.000 0.803 113 P CB 0.107 30.936 31.700 -1.453 0.000 0.782 114 A N -0.533 122.061 122.820 -0.378 0.000 1.898 114 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 114 A C 2.069 179.643 177.584 -0.017 0.000 1.181 114 A CA 1.228 53.257 52.037 -0.015 0.000 0.620 114 A CB -1.578 17.496 19.000 0.124 0.000 0.819 114 A HN 0.150 nan 8.150 nan 0.000 0.442 115 L N -0.797 120.402 121.223 -0.040 0.000 2.093 115 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 115 L C 2.191 179.056 176.870 -0.009 0.000 1.085 115 L CA 1.700 56.534 54.840 -0.011 0.000 0.755 115 L CB -0.565 41.493 42.059 -0.001 0.000 0.904 115 L HN 0.349 nan 8.230 nan 0.000 0.435 116 L N -0.320 120.887 121.223 -0.026 0.000 2.046 116 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 116 L C 2.465 179.334 176.870 -0.003 0.000 1.077 116 L CA 2.056 56.892 54.840 -0.007 0.000 0.747 116 L CB -1.013 41.047 42.059 0.002 0.000 0.896 116 L HN 0.275 nan 8.230 nan 0.000 0.432 117 A N -0.903 121.915 122.820 -0.003 0.000 1.898 117 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 117 A C 2.223 179.821 177.584 0.023 0.000 1.181 117 A CA 1.466 53.518 52.037 0.025 0.000 0.620 117 A CB -0.670 18.366 19.000 0.060 0.000 0.819 117 A HN 0.519 nan 8.150 nan 0.000 0.442 118 E N 0.442 120.654 120.200 0.020 0.000 2.070 118 E HA -0.178 4.172 4.350 -0.000 0.000 0.197 118 E C 1.777 178.383 176.600 0.009 0.000 1.004 118 E CA 1.745 58.155 56.400 0.017 0.000 0.805 118 E CB -0.410 29.300 29.700 0.016 0.000 0.744 118 E HN 0.596 nan 8.360 nan 0.000 0.451 119 L N -0.125 121.101 121.223 0.005 0.000 2.179 119 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 119 L C 2.568 179.436 176.870 -0.003 0.000 1.096 119 L CA 1.492 56.332 54.840 -0.001 0.000 0.779 119 L CB -0.648 41.408 42.059 -0.006 0.000 0.922 119 L HN 0.316 nan 8.230 nan 0.000 0.443 120 T N -3.883 110.671 114.554 0.000 0.000 3.035 120 T HA 0.121 4.471 4.350 -0.000 0.000 0.259 120 T C 1.607 176.309 174.700 0.004 0.000 1.078 120 T CA 0.596 62.697 62.100 0.000 0.000 1.132 120 T CB 0.162 69.034 68.868 0.006 0.000 0.900 120 T HN 0.417 nan 8.240 nan 0.000 0.480 121 G N 1.493 110.299 108.800 0.010 0.000 2.155 121 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.257 121 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.257 121 G C -0.015 174.895 174.900 0.016 0.000 0.983 121 G CA 0.399 45.506 45.100 0.012 0.000 0.676 121 G HN 0.688 nan 8.290 nan 0.000 0.528 122 I N 0.523 121.106 120.570 0.022 0.000 2.474 122 I HA 0.308 4.478 4.170 -0.000 0.000 0.294 122 I C -0.327 175.818 176.117 0.047 0.000 1.005 122 I CA -1.221 60.097 61.300 0.030 0.000 1.113 122 I CB 1.415 39.434 38.000 0.031 0.000 1.289 122 I HN -0.160 nan 8.210 nan 0.000 0.436 123 D N 4.529 124.962 120.400 0.055 0.000 2.571 123 D HA 0.094 4.734 4.640 -0.000 0.000 0.231 123 D C -0.474 175.876 176.300 0.084 0.000 1.133 123 D CA 0.534 54.578 54.000 0.073 0.000 0.862 123 D CB 0.802 41.650 40.800 0.080 0.000 1.179 123 D HN 0.014 nan 8.370 nan 0.000 0.474 124 V N 3.169 123.134 119.914 0.086 0.000 2.448 124 V HA 0.296 4.415 4.120 -0.000 0.000 0.295 124 V C 0.093 176.210 176.094 0.038 0.000 1.025 124 V CA -0.843 61.499 62.300 0.069 0.000 0.859 124 V CB 2.010 33.843 31.823 0.017 0.000 0.988 124 V HN 0.228 nan 8.190 nan 0.000 0.431 125 V N 4.246 124.157 119.914 -0.005 0.000 2.398 125 V HA 0.928 5.048 4.120 -0.000 0.000 0.286 125 V C 0.363 176.292 176.094 -0.274 0.000 1.026 125 V CA -0.016 62.147 62.300 -0.228 0.000 0.868 125 V CB 1.093 32.785 31.823 -0.218 0.000 0.982 125 V HN 1.084 nan 8.190 nan 0.000 0.443 126 A N 2.998 125.498 122.820 -0.534 0.000 2.533 126 A HA 0.763 5.083 4.320 -0.000 0.000 0.293 126 A C -0.137 177.065 177.584 -0.637 0.000 1.228 126 A CA -0.289 51.445 52.037 -0.506 0.000 0.689 126 A CB 0.919 19.766 19.000 -0.256 0.000 1.303 126 A HN 0.797 nan 8.150 nan 0.000 0.444 127 D N -1.605 118.599 120.400 -0.326 0.000 2.697 127 D HA -0.159 4.481 4.640 -0.000 0.000 0.238 127 D C -0.000 176.227 176.300 -0.122 0.000 1.152 127 D CA 1.078 54.974 54.000 -0.173 0.000 0.666 127 D CB -1.513 39.226 40.800 -0.102 0.000 1.037 127 D HN 0.455 nan 8.370 nan 0.000 0.423 128 F N -0.321 119.703 119.950 0.122 0.000 2.407 128 F HA 0.053 4.580 4.527 -0.000 0.000 0.299 128 F C 2.443 178.347 175.800 0.175 0.000 1.097 128 F CA 0.645 58.758 58.000 0.188 0.000 1.422 128 F CB -0.032 39.162 39.000 0.323 0.000 1.067 128 F HN 0.095 nan 8.300 nan 0.000 0.539 129 R N -0.179 120.515 120.500 0.323 0.000 2.161 129 R HA 0.054 4.394 4.340 -0.000 0.000 0.213 129 R C 2.116 178.529 176.300 0.189 0.000 1.055 129 R CA 0.359 56.615 56.100 0.260 0.000 0.996 129 R CB -0.185 30.268 30.300 0.255 0.000 0.901 129 R HN 0.243 nan 8.270 nan 0.000 0.456 130 R N 0.414 121.003 120.500 0.148 0.000 2.092 130 R HA -0.092 4.248 4.340 -0.000 0.000 0.231 130 R C 2.219 178.586 176.300 0.111 0.000 1.119 130 R CA 1.163 57.334 56.100 0.118 0.000 0.970 130 R CB -0.163 30.187 30.300 0.083 0.000 0.864 130 R HN -0.049 nan 8.270 nan 0.000 0.440 131 R N 1.263 121.830 120.500 0.112 0.000 2.115 131 R HA -0.122 4.218 4.340 -0.000 0.000 0.230 131 R C 1.442 177.803 176.300 0.102 0.000 1.111 131 R CA 1.831 57.990 56.100 0.098 0.000 0.976 131 R CB -0.473 29.887 30.300 0.100 0.000 0.870 131 R HN 0.184 nan 8.270 nan 0.000 0.445 132 D N -1.208 119.266 120.400 0.123 0.000 2.097 132 D HA -0.106 4.534 4.640 -0.000 0.000 0.197 132 D C 1.656 178.022 176.300 0.110 0.000 0.984 132 D CA 1.401 55.471 54.000 0.116 0.000 0.826 132 D CB 0.203 41.082 40.800 0.132 0.000 0.973 132 D HN 0.077 nan 8.370 nan 0.000 0.460 133 V N 0.865 120.852 119.914 0.121 0.000 2.343 133 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 133 V C 2.561 178.725 176.094 0.117 0.000 1.051 133 V CA 1.745 64.115 62.300 0.118 0.000 1.036 133 V CB -0.981 30.914 31.823 0.121 0.000 0.654 133 V HN 0.348 nan 8.190 nan 0.000 0.451 134 A N 0.044 122.924 122.820 0.101 0.000 1.978 134 A HA -0.066 4.254 4.320 -0.000 0.000 0.220 134 A C 2.150 179.770 177.584 0.061 0.000 1.170 134 A CA 1.860 53.942 52.037 0.075 0.000 0.636 134 A CB -0.561 18.477 19.000 0.063 0.000 0.810 134 A HN 0.636 nan 8.150 nan 0.000 0.448 135 A N -1.869 120.992 122.820 0.068 0.000 2.302 135 A HA 0.439 4.759 4.320 -0.000 0.000 0.219 135 A C 1.640 179.263 177.584 0.064 0.000 1.243 135 A CA 1.053 53.124 52.037 0.057 0.000 0.856 135 A CB -1.017 18.017 19.000 0.056 0.000 0.893 135 A HN 1.863 nan 8.150 nan 0.000 0.491 136 G N -1.961 106.890 108.800 0.085 0.000 2.175 136 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.244 136 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.244 136 G C 0.724 175.681 174.900 0.095 0.000 0.982 136 G CA 0.234 45.396 45.100 0.104 0.000 0.641 136 G HN 1.361 nan 8.290 nan 0.000 0.527 137 G N -1.223 107.630 108.800 0.089 0.000 2.547 137 G HA2 0.499 4.459 3.960 -0.000 0.000 0.291 137 G HA3 0.499 4.459 3.960 -0.000 0.000 0.291 137 G C 0.826 175.773 174.900 0.079 0.000 1.211 137 G CA 0.225 45.375 45.100 0.083 0.000 0.950 137 G HN 0.102 nan 8.290 nan 0.000 0.504 138 Q N -0.307 119.545 119.800 0.087 0.000 2.291 138 Q HA 0.005 4.345 4.340 -0.000 0.000 0.205 138 Q C 2.127 178.235 176.000 0.180 0.000 0.970 138 Q CA 1.198 57.062 55.803 0.101 0.000 0.876 138 Q CB -0.043 28.774 28.738 0.131 0.000 0.935 138 Q HN 1.183 nan 8.270 nan 0.000 0.455 139 G N 0.327 109.231 108.800 0.173 0.000 2.189 139 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.267 139 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.267 139 G C 0.222 175.237 174.900 0.190 0.000 0.975 139 G CA 0.612 45.837 45.100 0.208 0.000 0.644 139 G HN 0.741 nan 8.290 nan 0.000 0.537 140 A N -0.485 122.431 122.820 0.160 0.000 2.604 140 A HA 0.850 5.170 4.320 -0.000 0.000 0.295 140 A C -2.927 174.718 177.584 0.103 0.000 1.067 140 A CA -0.733 51.356 52.037 0.087 0.000 0.683 140 A CB 1.984 20.961 19.000 -0.039 0.000 1.281 140 A HN 0.211 nan 8.150 nan 0.000 0.407 141 P HA 0.386 nan 4.420 nan 0.000 0.276 141 P C 0.092 177.396 177.300 0.007 0.000 1.244 141 P CA -0.236 62.879 63.100 0.024 0.000 0.801 141 P CB 1.023 32.725 31.700 0.003 0.000 1.006 142 L N 1.391 122.597 121.223 -0.029 0.000 2.638 142 L HA 0.005 4.345 4.340 -0.000 0.000 0.232 142 L C 2.239 178.992 176.870 -0.195 0.000 1.099 142 L CA 0.320 55.115 54.840 -0.075 0.000 0.883 142 L CB -0.097 41.930 42.059 -0.054 0.000 1.136 142 L HN 0.168 nan 8.230 nan 0.000 0.492 143 V N -2.851 116.904 119.914 -0.264 0.000 2.594 143 V HA -0.051 4.069 4.120 -0.000 0.000 0.253 143 V C -0.426 175.389 176.094 -0.465 0.000 1.069 143 V CA 0.704 62.750 62.300 -0.424 0.000 1.082 143 V CB -1.963 29.504 31.823 -0.592 0.000 0.680 143 V HN 0.221 nan 8.190 nan 0.000 0.469 144 P HA -0.230 nan 4.420 nan 0.000 0.216 144 P C 2.041 179.283 177.300 -0.096 0.000 1.157 144 P CA 2.911 65.923 63.100 -0.147 0.000 0.880 144 P CB -0.322 31.348 31.700 -0.051 0.000 0.791 145 A N -1.666 121.135 122.820 -0.033 0.000 1.940 145 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 145 A C 2.127 179.589 177.584 -0.204 0.000 1.176 145 A CA 1.590 53.654 52.037 0.046 0.000 0.631 145 A CB -1.771 17.394 19.000 0.274 0.000 0.814 145 A HN 0.155 nan 8.150 nan 0.000 0.446 146 F N 0.324 119.923 119.950 -0.584 0.000 2.128 146 F HA -0.100 4.427 4.527 -0.000 0.000 0.295 146 F C 2.239 177.694 175.800 -0.575 0.000 1.100 146 F CA 1.880 59.246 58.000 -1.056 0.000 1.260 146 F CB -0.858 37.650 39.000 -0.820 0.000 1.009 146 F HN 0.449 nan 8.300 nan 0.000 0.476 147 H N -1.265 117.542 119.070 -0.439 0.000 2.390 147 H HA -0.252 4.304 4.556 -0.000 0.000 0.298 147 H C 2.120 177.251 175.328 -0.327 0.000 1.106 147 H CA 1.225 57.063 56.048 -0.350 0.000 1.297 147 H CB -0.087 29.610 29.762 -0.109 0.000 1.375 147 H HN 0.297 nan 8.280 nan 0.000 0.509 148 Q N 1.216 120.928 119.800 -0.146 0.000 2.079 148 Q HA -0.073 4.267 4.340 -0.000 0.000 0.200 148 Q C 2.400 178.271 176.000 -0.215 0.000 0.974 148 Q CA 1.564 57.295 55.803 -0.121 0.000 0.840 148 Q CB -0.351 28.357 28.738 -0.051 0.000 0.898 148 Q HN 0.412 nan 8.270 nan 0.000 0.430 149 A N 0.170 122.773 122.820 -0.363 0.000 1.972 149 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 149 A C 2.070 179.367 177.584 -0.479 0.000 1.169 149 A CA 1.492 53.309 52.037 -0.367 0.000 0.635 149 A CB -0.587 18.128 19.000 -0.475 0.000 0.810 149 A HN 0.460 nan 8.150 nan 0.000 0.446 150 L N -3.111 117.653 121.223 -0.766 0.000 2.168 150 L HA 0.086 4.426 4.340 -0.000 0.000 0.203 150 L C 1.374 177.743 176.870 -0.835 0.000 1.078 150 L CA 0.855 55.097 54.840 -0.996 0.000 0.780 150 L CB -0.101 40.969 42.059 -1.648 0.000 0.939 150 L HN 0.386 nan 8.230 nan 0.000 0.451 151 F N -0.598 119.197 119.950 -0.258 0.000 2.746 151 F HA 0.327 4.854 4.527 -0.000 0.000 0.320 151 F C 1.364 177.075 175.800 -0.148 0.000 1.097 151 F CA -0.962 56.914 58.000 -0.207 0.000 1.195 151 F CB -0.283 38.546 39.000 -0.286 0.000 1.056 151 F HN -0.171 nan 8.300 nan 0.000 0.562 152 G N 1.131 109.928 108.800 -0.005 0.000 2.298 152 G HA2 0.301 4.260 3.960 -0.000 0.000 0.263 152 G HA3 0.301 4.260 3.960 -0.000 0.000 0.263 152 G C -1.111 173.792 174.900 0.006 0.000 1.229 152 G CA 0.348 45.445 45.100 -0.005 0.000 0.976 152 G HN 0.122 nan 8.290 nan 0.000 0.459 153 D N 1.018 121.425 120.400 0.012 0.000 2.936 153 D HA 0.217 4.857 4.640 -0.000 0.000 0.238 153 D C 0.374 176.679 176.300 0.009 0.000 1.248 153 D CA -0.791 53.219 54.000 0.015 0.000 0.903 153 D CB 1.467 42.284 40.800 0.028 0.000 1.544 153 D HN 0.366 nan 8.370 nan 0.000 0.543 154 D N 1.257 121.663 120.400 0.009 0.000 2.336 154 D HA 0.059 4.699 4.640 -0.000 0.000 0.229 154 D C 0.348 176.651 176.300 0.006 0.000 1.061 154 D CA 0.080 54.084 54.000 0.007 0.000 0.875 154 D CB 0.478 41.283 40.800 0.008 0.000 0.904 154 D HN 0.208 nan 8.370 nan 0.000 0.525 155 D N -0.331 120.073 120.400 0.007 0.000 2.262 155 D HA 0.028 4.668 4.640 -0.000 0.000 0.212 155 D C 0.467 176.768 176.300 0.003 0.000 0.964 155 D CA 0.944 54.948 54.000 0.006 0.000 0.875 155 D CB 0.380 41.185 40.800 0.009 0.000 0.996 155 D HN 0.211 nan 8.370 nan 0.000 0.497 156 T N -0.578 113.977 114.554 0.001 0.000 2.916 156 T HA 0.454 4.803 4.350 -0.000 0.000 0.298 156 T C -0.844 173.847 174.700 -0.015 0.000 1.031 156 T CA -0.861 61.236 62.100 -0.006 0.000 0.993 156 T CB 1.269 70.135 68.868 -0.004 0.000 1.045 156 T HN -0.040 nan 8.240 nan 0.000 0.454 157 S N 4.944 120.633 115.700 -0.019 0.000 2.499 157 S HA 0.672 5.142 4.470 -0.000 0.000 0.275 157 S C -0.011 174.561 174.600 -0.048 0.000 1.257 157 S CA -0.918 57.266 58.200 -0.027 0.000 1.050 157 S CB 0.230 63.419 63.200 -0.019 0.000 0.937 157 S HN 1.011 nan 8.310 nan 0.000 0.490 158 R N 0.761 121.221 120.500 -0.067 0.000 2.771 158 R HA 0.821 5.161 4.340 -0.000 0.000 0.274 158 R C -1.392 174.831 176.300 -0.127 0.000 0.987 158 R CA -1.216 54.816 56.100 -0.113 0.000 0.908 158 R CB 1.635 31.840 30.300 -0.159 0.000 1.213 158 R HN 0.645 nan 8.270 nan 0.000 0.468 159 A N 1.930 124.653 122.820 -0.162 0.000 2.331 159 A HA 0.572 4.892 4.320 -0.000 0.000 0.320 159 A C -0.736 176.697 177.584 -0.251 0.000 1.138 159 A CA -0.838 51.098 52.037 -0.169 0.000 0.790 159 A CB 1.736 20.654 19.000 -0.137 0.000 1.206 159 A HN 0.422 nan 8.150 nan 0.000 0.470 160 V N 3.515 123.274 119.914 -0.258 0.000 2.328 160 V HA 0.392 4.512 4.120 -0.000 0.000 0.278 160 V C -0.480 175.445 176.094 -0.283 0.000 1.021 160 V CA -0.321 61.741 62.300 -0.397 0.000 0.838 160 V CB 0.816 32.279 31.823 -0.601 0.000 0.999 160 V HN 0.765 nan 8.190 nan 0.000 0.447 161 L N 5.590 126.658 121.223 -0.258 0.000 2.305 161 L HA 0.523 4.863 4.340 -0.000 0.000 0.284 161 L C -0.014 176.790 176.870 -0.110 0.000 1.013 161 L CA 0.123 54.873 54.840 -0.149 0.000 0.819 161 L CB 1.331 43.307 42.059 -0.138 0.000 1.227 161 L HN 0.693 nan 8.230 nan 0.000 0.417 162 N N 6.235 124.922 118.700 -0.023 0.000 2.434 162 N HA 0.320 5.060 4.740 -0.000 0.000 0.272 162 N C -1.178 174.326 175.510 -0.010 0.000 1.040 162 N CA -0.424 52.629 53.050 0.004 0.000 0.956 162 N CB 0.841 39.373 38.487 0.076 0.000 1.108 162 N HN 0.705 nan 8.380 nan 0.000 0.481 163 I N 3.380 123.929 120.570 -0.036 0.000 2.428 163 I HA 0.324 4.494 4.170 -0.000 0.000 0.279 163 I C 0.900 176.994 176.117 -0.038 0.000 1.040 163 I CA -0.616 60.663 61.300 -0.036 0.000 1.171 163 I CB 1.298 39.264 38.000 -0.056 0.000 1.312 163 I HN 0.525 nan 8.210 nan 0.000 0.470 164 G N 3.018 111.807 108.800 -0.019 0.000 3.039 164 G HA2 0.436 4.395 3.960 -0.000 0.000 0.159 164 G HA3 0.436 4.395 3.960 -0.000 0.000 0.159 164 G C 1.008 175.869 174.900 -0.065 0.000 1.284 164 G CA 0.134 45.215 45.100 -0.031 0.000 0.996 164 G HN 0.525 nan 8.290 nan 0.000 0.592 165 G N -0.554 108.202 108.800 -0.073 0.000 2.476 165 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.218 165 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.218 165 G C 0.275 174.888 174.900 -0.477 0.000 1.164 165 G CA 0.551 45.519 45.100 -0.219 0.000 0.768 165 G HN 0.224 nan 8.290 nan 0.000 0.560 166 F N -0.257 119.681 119.950 -0.021 0.000 2.523 166 F HA 0.634 5.161 4.527 -0.000 0.000 0.329 166 F C 0.385 176.174 175.800 -0.018 0.000 1.061 166 F CA -0.824 57.158 58.000 -0.031 0.000 0.967 166 F CB 2.182 41.164 39.000 -0.030 0.000 1.218 166 F HN -0.193 nan 8.300 nan 0.000 0.480 167 S N 2.040 117.847 115.700 0.179 0.000 2.525 167 S HA 0.536 5.006 4.470 -0.000 0.000 0.290 167 S C -0.863 173.820 174.600 0.138 0.000 1.152 167 S CA -0.838 57.428 58.200 0.111 0.000 1.072 167 S CB 0.790 64.037 63.200 0.079 0.000 1.027 167 S HN 0.680 nan 8.310 nan 0.000 0.500 168 N N 0.355 119.101 118.700 0.077 0.000 2.484 168 N HA 0.513 5.252 4.740 -0.000 0.000 0.269 168 N C -1.891 173.593 175.510 -0.044 0.000 1.237 168 N CA -0.585 52.489 53.050 0.040 0.000 0.838 168 N CB 1.745 40.264 38.487 0.054 0.000 1.593 168 N HN 0.407 nan 8.380 nan 0.000 0.485 169 V N 0.149 119.949 119.914 -0.191 0.000 2.735 169 V HA 0.618 4.738 4.120 -0.000 0.000 0.310 169 V C -0.873 175.072 176.094 -0.248 0.000 1.061 169 V CA -0.348 61.808 62.300 -0.240 0.000 0.913 169 V CB 2.050 33.680 31.823 -0.321 0.000 1.005 169 V HN 0.854 nan 8.190 nan 0.000 0.428 170 S N 6.880 122.519 115.700 -0.102 0.000 2.456 170 S HA 0.644 5.114 4.470 -0.000 0.000 0.316 170 S C -0.734 173.814 174.600 -0.086 0.000 1.089 170 S CA -0.393 57.781 58.200 -0.043 0.000 1.101 170 S CB 1.028 64.332 63.200 0.172 0.000 0.995 170 S HN 0.574 nan 8.310 nan 0.000 0.468 171 L N 4.123 125.292 121.223 -0.089 0.000 2.262 171 L HA 0.460 4.800 4.340 -0.000 0.000 0.288 171 L C -0.607 176.245 176.870 -0.031 0.000 1.035 171 L CA -0.320 54.481 54.840 -0.065 0.000 0.820 171 L CB 0.394 42.425 42.059 -0.045 0.000 1.204 171 L HN 0.468 nan 8.230 nan 0.000 0.424 172 L N 2.975 124.176 121.223 -0.036 0.000 2.360 172 L HA 0.392 4.731 4.340 -0.000 0.000 0.265 172 L C -0.048 176.812 176.870 -0.018 0.000 1.066 172 L CA -0.068 54.759 54.840 -0.021 0.000 0.929 172 L CB 0.502 42.547 42.059 -0.023 0.000 1.306 172 L HN 0.529 nan 8.230 nan 0.000 0.434 173 S N 2.977 118.673 115.700 -0.006 0.000 2.457 173 S HA 0.443 4.912 4.470 -0.000 0.000 0.289 173 S C -2.230 172.371 174.600 0.002 0.000 1.163 173 S CA -1.172 57.027 58.200 -0.002 0.000 1.078 173 S CB 1.280 64.483 63.200 0.005 0.000 0.987 173 S HN 0.297 nan 8.310 nan 0.000 0.482 174 P HA 0.197 nan 4.420 nan 0.000 0.266 174 P C 1.033 178.337 177.300 0.007 0.000 1.195 174 P CA 0.642 63.745 63.100 0.004 0.000 0.768 174 P CB 0.276 31.978 31.700 0.003 0.000 0.838 175 G N 0.020 108.825 108.800 0.009 0.000 2.220 175 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.269 175 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.269 175 G C 0.345 175.253 174.900 0.013 0.000 0.977 175 G CA 0.777 45.883 45.100 0.011 0.000 0.634 175 G HN 0.908 nan 8.290 nan 0.000 0.539 176 K N 0.178 120.586 120.400 0.014 0.000 2.267 176 K HA 0.848 5.168 4.320 -0.000 0.000 0.246 176 K C -2.211 174.401 176.600 0.020 0.000 0.954 176 K CA -1.216 55.081 56.287 0.017 0.000 0.824 176 K CB 0.657 33.167 32.500 0.017 0.000 1.167 176 K HN 0.144 nan 8.250 nan 0.000 0.431 177 P HA 0.113 nan 4.420 nan 0.000 0.267 177 P C -0.374 176.943 177.300 0.029 0.000 1.200 177 P CA -0.570 62.547 63.100 0.028 0.000 0.772 177 P CB 0.498 32.217 31.700 0.032 0.000 0.855 178 V N 4.264 124.196 119.914 0.030 0.000 2.599 178 V HA 0.044 4.164 4.120 -0.000 0.000 0.300 178 V C 1.067 177.182 176.094 0.035 0.000 1.034 178 V CA 0.618 62.933 62.300 0.026 0.000 1.115 178 V CB -0.370 31.468 31.823 0.024 0.000 0.934 178 V HN 0.515 nan 8.190 nan 0.000 0.485 179 R N 2.028 122.546 120.500 0.030 0.000 2.939 179 R HA 0.896 5.236 4.340 -0.000 0.000 0.254 179 R C 0.046 176.350 176.300 0.006 0.000 1.123 179 R CA -0.277 55.856 56.100 0.055 0.000 1.020 179 R CB 2.235 32.590 30.300 0.090 0.000 1.206 179 R HN 1.000 nan 8.270 nan 0.000 0.491 180 G N 0.106 108.927 108.800 0.036 0.000 2.336 180 G HA2 0.387 4.346 3.960 -0.000 0.000 0.300 180 G HA3 0.387 4.346 3.960 -0.000 0.000 0.300 180 G C -1.766 173.138 174.900 0.008 0.000 1.375 180 G CA -0.817 44.158 45.100 -0.208 0.000 0.885 180 G HN 0.538 nan 8.290 nan 0.000 0.599 181 F N -2.303 117.681 119.950 0.056 0.000 2.944 181 F HA 0.603 5.130 4.527 -0.000 0.000 0.324 181 F C -1.440 174.427 175.800 0.112 0.000 1.151 181 F CA -1.487 56.558 58.000 0.075 0.000 0.883 181 F CB 0.289 39.318 39.000 0.049 0.000 1.341 181 F HN 0.427 nan 8.300 nan 0.000 0.456 182 D N 0.355 121.014 120.400 0.431 0.000 2.345 182 D HA 0.326 4.966 4.640 -0.000 0.000 0.247 182 D C 0.340 177.019 176.300 0.630 0.000 1.108 182 D CA -0.344 53.902 54.000 0.409 0.000 0.894 182 D CB 1.617 42.626 40.800 0.348 0.000 1.203 182 D HN 0.752 nan 8.370 nan 0.000 0.430 183 C N 1.289 120.882 119.300 0.488 0.000 2.551 183 C HA 0.527 4.987 4.460 -0.000 0.000 0.277 183 C C 1.303 176.670 174.990 0.628 0.000 1.349 183 C CA 0.441 59.773 59.018 0.523 0.000 1.750 183 C CB -0.883 27.052 27.740 0.325 0.000 2.058 183 C HN 0.870 nan 8.230 nan 0.000 0.518 184 G N 0.792 109.864 108.800 0.452 0.000 2.278 184 G HA2 0.124 4.084 3.960 -0.000 0.000 0.265 184 G HA3 0.124 4.084 3.960 -0.000 0.000 0.265 184 G C -3.201 171.706 174.900 0.012 0.000 1.329 184 G CA -0.746 44.440 45.100 0.143 0.000 1.017 184 G HN -0.064 nan 8.290 nan 0.000 0.472 185 P HA 0.349 nan 4.420 nan 0.000 0.271 185 P C 0.690 177.876 177.300 -0.191 0.000 1.216 185 P CA 1.014 63.910 63.100 -0.339 0.000 0.771 185 P CB 1.321 32.745 31.700 -0.461 0.000 0.864 186 G N 2.960 111.628 108.800 -0.220 0.000 2.543 186 G HA2 -0.017 3.942 3.960 -0.000 0.000 0.221 186 G HA3 -0.017 3.942 3.960 -0.000 0.000 0.221 186 G C 0.869 175.695 174.900 -0.122 0.000 1.902 186 G CA 0.012 45.038 45.100 -0.123 0.000 0.838 186 G HN 0.483 nan 8.290 nan 0.000 0.650 187 N N -0.357 118.266 118.700 -0.129 0.000 2.325 187 N HA 0.102 4.842 4.740 -0.000 0.000 0.182 187 N C 1.870 177.332 175.510 -0.080 0.000 1.088 187 N CA 0.010 53.020 53.050 -0.066 0.000 0.879 187 N CB 0.940 39.407 38.487 -0.034 0.000 0.983 187 N HN 0.133 nan 8.380 nan 0.000 0.471 188 V N 1.304 121.081 119.914 -0.228 0.000 2.282 188 V HA -0.231 3.889 4.120 -0.000 0.000 0.249 188 V C 1.753 177.821 176.094 -0.042 0.000 1.057 188 V CA 1.750 63.916 62.300 -0.224 0.000 1.032 188 V CB -0.229 31.248 31.823 -0.576 0.000 0.645 188 V HN 0.303 nan 8.190 nan 0.000 0.447 189 L N -1.407 119.803 121.223 -0.021 0.000 2.072 189 L HA -0.140 4.200 4.340 -0.000 0.000 0.205 189 L C 2.601 179.591 176.870 0.200 0.000 1.079 189 L CA 1.789 56.701 54.840 0.120 0.000 0.752 189 L CB -0.499 41.637 42.059 0.128 0.000 0.906 189 L HN 0.299 nan 8.230 nan 0.000 0.436 190 M N -0.283 119.410 119.600 0.155 0.000 2.108 190 M HA -0.218 4.262 4.480 -0.000 0.000 0.261 190 M C 1.749 178.228 176.300 0.299 0.000 1.066 190 M CA 1.594 57.034 55.300 0.233 0.000 1.107 190 M CB -0.541 32.158 32.600 0.164 0.000 1.356 190 M HN 0.207 nan 8.290 nan 0.000 0.406 191 D N 0.620 121.155 120.400 0.224 0.000 2.097 191 D HA -0.080 4.560 4.640 -0.000 0.000 0.195 191 D C 2.004 178.466 176.300 0.270 0.000 0.989 191 D CA 1.679 55.821 54.000 0.236 0.000 0.827 191 D CB -0.229 40.672 40.800 0.169 0.000 0.966 191 D HN 0.329 nan 8.370 nan 0.000 0.456 192 A N 0.361 123.342 122.820 0.267 0.000 1.930 192 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 192 A C 2.139 179.969 177.584 0.411 0.000 1.175 192 A CA 0.910 53.131 52.037 0.307 0.000 0.627 192 A CB -1.046 18.113 19.000 0.264 0.000 0.815 192 A HN 0.437 nan 8.150 nan 0.000 0.443 193 W N -0.046 121.401 121.300 0.245 0.000 2.379 193 W HA -0.108 4.552 4.660 -0.000 0.000 0.307 193 W C 1.870 178.608 176.519 0.366 0.000 1.200 193 W CA 1.439 58.966 57.345 0.303 0.000 1.297 193 W CB -0.108 29.515 29.460 0.272 0.000 1.140 193 W HN 0.344 nan 8.180 nan 0.000 0.507 194 I N 0.257 121.051 120.570 0.374 0.000 2.546 194 I HA -0.317 3.853 4.170 -0.000 0.000 0.255 194 I C 2.460 178.532 176.117 -0.076 0.000 1.163 194 I CA 1.714 63.068 61.300 0.088 0.000 1.457 194 I CB -0.428 37.666 38.000 0.156 0.000 1.092 194 I HN -0.049 nan 8.210 nan 0.000 0.434 195 H N -0.551 118.502 119.070 -0.028 0.000 2.395 195 H HA -0.254 4.302 4.556 -0.000 0.000 0.299 195 H C 2.164 177.437 175.328 -0.093 0.000 1.070 195 H CA 2.342 58.341 56.048 -0.082 0.000 1.356 195 H CB -0.136 29.626 29.762 -0.001 0.000 1.401 195 H HN 0.483 nan 8.280 nan 0.000 0.524 196 H N -0.504 118.473 119.070 -0.155 0.000 2.357 196 H HA -0.029 4.527 4.556 -0.000 0.000 0.301 196 H C 1.950 177.061 175.328 -0.362 0.000 1.082 196 H CA 1.827 57.729 56.048 -0.243 0.000 1.342 196 H CB 0.265 29.936 29.762 -0.151 0.000 1.389 196 H HN 0.292 nan 8.280 nan 0.000 0.511 197 Q N 0.042 119.499 119.800 -0.572 0.000 2.134 197 Q HA 0.089 4.429 4.340 -0.000 0.000 0.195 197 Q C 1.762 177.463 176.000 -0.499 0.000 0.958 197 Q CA 1.083 56.523 55.803 -0.605 0.000 0.840 197 Q CB 0.336 28.758 28.738 -0.527 0.000 0.918 197 Q HN 0.524 nan 8.270 nan 0.000 0.467 198 R N -1.309 118.883 120.500 -0.513 0.000 2.476 198 R HA 0.221 4.561 4.340 -0.000 0.000 0.276 198 R C 0.866 176.929 176.300 -0.395 0.000 0.941 198 R CA 0.507 56.316 56.100 -0.484 0.000 1.088 198 R CB 1.085 30.986 30.300 -0.664 0.000 1.216 198 R HN 0.350 nan 8.270 nan 0.000 0.533 199 G N 1.594 110.146 108.800 -0.413 0.000 2.179 199 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.260 199 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.260 199 G C -0.096 174.624 174.900 -0.299 0.000 0.977 199 G CA 0.177 45.023 45.100 -0.422 0.000 0.641 199 G HN 0.370 nan 8.290 nan 0.000 0.533 200 E N -0.932 119.123 120.200 -0.242 0.000 2.277 200 E HA 0.542 4.892 4.350 -0.000 0.000 0.274 200 E C 0.935 177.506 176.600 -0.049 0.000 1.022 200 E CA -0.675 55.609 56.400 -0.193 0.000 0.853 200 E CB 0.642 30.181 29.700 -0.269 0.000 1.086 200 E HN 0.500 nan 8.360 nan 0.000 0.397 201 H N 1.366 120.476 119.070 0.068 0.000 2.423 201 H HA -0.010 4.546 4.556 -0.000 0.000 0.297 201 H C 0.051 175.530 175.328 0.252 0.000 1.075 201 H CA 1.353 57.489 56.048 0.146 0.000 1.342 201 H CB 0.076 29.961 29.762 0.205 0.000 1.395 201 H HN 0.401 nan 8.280 nan 0.000 0.530 202 F N -2.505 117.531 119.950 0.144 0.000 2.662 202 F HA 0.337 4.864 4.527 -0.000 0.000 0.312 202 F C -1.431 174.428 175.800 0.098 0.000 1.113 202 F CA -1.716 56.350 58.000 0.110 0.000 0.951 202 F CB 1.293 40.341 39.000 0.081 0.000 1.344 202 F HN -0.349 nan 8.300 nan 0.000 0.462 203 D N 1.910 122.464 120.400 0.256 0.000 2.479 203 D HA 0.166 4.806 4.640 -0.000 0.000 0.218 203 D C -0.209 176.221 176.300 0.217 0.000 1.131 203 D CA -0.287 53.822 54.000 0.182 0.000 0.916 203 D CB 0.412 41.384 40.800 0.286 0.000 1.022 203 D HN 0.436 nan 8.370 nan 0.000 0.515 204 R N 3.202 123.746 120.500 0.073 0.000 2.501 204 R HA -0.063 4.277 4.340 -0.000 0.000 0.319 204 R C 0.109 176.505 176.300 0.160 0.000 0.913 204 R CA 0.622 56.818 56.100 0.159 0.000 1.104 204 R CB -0.075 30.232 30.300 0.012 0.000 0.901 204 R HN 0.607 nan 8.270 nan 0.000 0.407 205 D N 2.130 122.644 120.400 0.189 0.000 3.059 205 D HA -0.210 4.430 4.640 -0.000 0.000 0.213 205 D C 0.668 177.043 176.300 0.124 0.000 1.144 205 D CA 1.540 55.624 54.000 0.141 0.000 0.975 205 D CB -0.777 40.087 40.800 0.107 0.000 1.125 205 D HN 0.947 nan 8.370 nan 0.000 0.412 206 G N -0.427 108.461 108.800 0.146 0.000 2.176 206 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.252 206 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.252 206 G C 1.152 176.128 174.900 0.127 0.000 1.024 206 G CA 1.124 46.303 45.100 0.132 0.000 0.755 206 G HN 0.882 nan 8.290 nan 0.000 0.507 207 A N -0.839 122.068 122.820 0.144 0.000 1.897 207 A HA 0.156 4.476 4.320 -0.000 0.000 0.215 207 A C 1.999 179.704 177.584 0.201 0.000 1.181 207 A CA 2.001 54.121 52.037 0.138 0.000 0.620 207 A CB -0.558 18.509 19.000 0.113 0.000 0.821 207 A HN 1.078 nan 8.150 nan 0.000 0.443 208 W N 0.861 122.180 121.300 0.032 0.000 2.358 208 W HA -0.135 4.525 4.660 -0.000 0.000 0.303 208 W C 2.499 179.051 176.519 0.055 0.000 1.208 208 W CA 1.638 59.006 57.345 0.039 0.000 1.274 208 W CB -0.495 28.990 29.460 0.042 0.000 1.138 208 W HN 0.369 nan 8.180 nan 0.000 0.515 209 A N 0.310 123.182 122.820 0.088 0.000 1.902 209 A HA -0.027 4.293 4.320 -0.000 0.000 0.217 209 A C 2.105 179.655 177.584 -0.056 0.000 1.181 209 A CA 2.512 54.515 52.037 -0.057 0.000 0.623 209 A CB -1.421 17.585 19.000 0.012 0.000 0.818 209 A HN 0.330 nan 8.150 nan 0.000 0.443 210 A N 0.009 122.835 122.820 0.009 0.000 2.119 210 A HA 0.044 4.364 4.320 -0.000 0.000 0.217 210 A C 2.271 179.855 177.584 -0.001 0.000 1.153 210 A CA 1.797 53.838 52.037 0.006 0.000 0.692 210 A CB -0.655 18.364 19.000 0.032 0.000 0.799 210 A HN 0.973 nan 8.150 nan 0.000 0.458 211 S N -1.196 114.504 115.700 -0.000 0.000 2.558 211 S HA 0.365 4.835 4.470 -0.000 0.000 0.217 211 S C 1.008 175.579 174.600 -0.048 0.000 0.975 211 S CA 0.392 58.596 58.200 0.006 0.000 0.912 211 S CB -0.212 63.036 63.200 0.079 0.000 0.776 211 S HN 0.616 nan 8.310 nan 0.000 0.526 212 G N 0.222 108.954 108.800 -0.113 0.000 2.601 212 G HA2 0.610 4.570 3.960 -0.000 0.000 0.317 212 G HA3 0.610 4.570 3.960 -0.000 0.000 0.317 212 G C -1.282 173.564 174.900 -0.090 0.000 1.246 212 G CA -0.727 44.294 45.100 -0.132 0.000 1.012 212 G HN 0.201 nan 8.290 nan 0.000 0.494 213 Q N 0.100 119.851 119.800 -0.081 0.000 2.322 213 Q HA 0.348 4.688 4.340 -0.000 0.000 0.265 213 Q C -0.175 175.782 176.000 -0.072 0.000 0.985 213 Q CA -0.711 55.060 55.803 -0.053 0.000 0.849 213 Q CB 2.091 30.815 28.738 -0.022 0.000 1.274 213 Q HN 0.269 nan 8.270 nan 0.000 0.449 214 V N 3.394 123.259 119.914 -0.082 0.000 2.584 214 V HA -0.090 4.030 4.120 -0.000 0.000 0.303 214 V C 0.842 176.879 176.094 -0.094 0.000 1.035 214 V CA 0.262 62.478 62.300 -0.139 0.000 1.172 214 V CB -0.018 31.673 31.823 -0.221 0.000 0.896 214 V HN 0.643 nan 8.190 nan 0.000 0.486 215 N N 4.447 123.078 118.700 -0.115 0.000 2.439 215 N HA 0.152 4.892 4.740 -0.000 0.000 0.249 215 N C 1.018 176.480 175.510 -0.081 0.000 1.003 215 N CA -0.401 52.619 53.050 -0.050 0.000 0.942 215 N CB 0.603 39.047 38.487 -0.072 0.000 1.115 215 N HN 0.716 nan 8.380 nan 0.000 0.505 216 H N 2.534 121.555 119.070 -0.081 0.000 2.387 216 H HA -0.114 4.442 4.556 -0.000 0.000 0.299 216 H C 1.540 176.819 175.328 -0.082 0.000 1.090 216 H CA 1.606 57.609 56.048 -0.075 0.000 1.332 216 H CB 0.457 30.182 29.762 -0.061 0.000 1.386 216 H HN 0.697 nan 8.280 nan 0.000 0.516 217 A N 1.345 124.174 122.820 0.015 0.000 1.855 217 A HA -0.137 4.183 4.320 -0.000 0.000 0.215 217 A C 2.463 179.994 177.584 -0.089 0.000 1.191 217 A CA 1.185 53.185 52.037 -0.062 0.000 0.613 217 A CB -0.787 18.131 19.000 -0.136 0.000 0.829 217 A HN 0.271 nan 8.150 nan 0.000 0.442 218 L N -0.675 120.483 121.223 -0.108 0.000 2.012 218 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 218 L C 2.295 179.095 176.870 -0.116 0.000 1.073 218 L CA 2.117 56.891 54.840 -0.110 0.000 0.748 218 L CB -0.624 41.357 42.059 -0.130 0.000 0.891 218 L HN 0.381 nan 8.230 nan 0.000 0.431 219 L N -0.136 121.010 121.223 -0.127 0.000 2.012 219 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 219 L C 2.498 179.310 176.870 -0.097 0.000 1.073 219 L CA 2.240 56.996 54.840 -0.140 0.000 0.748 219 L CB -1.113 40.829 42.059 -0.195 0.000 0.891 219 L HN 0.302 nan 8.230 nan 0.000 0.431 220 A N -0.999 121.786 122.820 -0.059 0.000 1.902 220 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 220 A C 2.469 180.065 177.584 0.020 0.000 1.181 220 A CA 2.086 54.113 52.037 -0.017 0.000 0.623 220 A CB -1.129 17.872 19.000 0.002 0.000 0.818 220 A HN 0.677 nan 8.150 nan 0.000 0.443 221 S N -0.135 115.578 115.700 0.022 0.000 2.402 221 S HA -0.034 4.436 4.470 -0.000 0.000 0.229 221 S C 1.847 176.487 174.600 0.067 0.000 1.021 221 S CA 1.316 59.571 58.200 0.092 0.000 0.974 221 S CB -0.625 62.662 63.200 0.145 0.000 0.800 221 S HN 0.440 nan 8.310 nan 0.000 0.484 222 L N 0.444 121.621 121.223 -0.077 0.000 2.072 222 L HA 0.131 4.471 4.340 -0.000 0.000 0.205 222 L C 2.415 179.451 176.870 0.277 0.000 1.079 222 L CA 0.892 55.685 54.840 -0.078 0.000 0.752 222 L CB -0.508 41.481 42.059 -0.116 0.000 0.906 222 L HN 0.287 nan 8.230 nan 0.000 0.436 223 L N -0.240 121.034 121.223 0.084 0.000 2.465 223 L HA -0.073 4.267 4.340 -0.000 0.000 0.224 223 L C 2.484 179.528 176.870 0.290 0.000 1.145 223 L CA 0.415 55.274 54.840 0.031 0.000 0.834 223 L CB -0.453 41.527 42.059 -0.131 0.000 0.944 223 L HN 0.203 nan 8.230 nan 0.000 0.451 224 A N -1.418 121.569 122.820 0.278 0.000 2.206 224 A HA -0.101 4.218 4.320 -0.000 0.000 0.211 224 A C 0.929 178.723 177.584 0.350 0.000 1.158 224 A CA 0.049 52.245 52.037 0.265 0.000 0.761 224 A CB -0.380 18.735 19.000 0.193 0.000 0.801 224 A HN 0.306 nan 8.150 nan 0.000 0.473 225 D N 0.507 121.225 120.400 0.529 0.000 2.493 225 D HA -0.016 4.624 4.640 -0.000 0.000 0.240 225 D C 0.562 177.048 176.300 0.311 0.000 1.142 225 D CA 0.239 54.525 54.000 0.476 0.000 0.872 225 D CB 0.611 41.785 40.800 0.623 0.000 1.173 225 D HN 0.467 nan 8.370 nan 0.000 0.467 226 E N 2.619 122.935 120.200 0.193 0.000 2.219 226 E HA -0.233 4.117 4.350 -0.000 0.000 0.198 226 E C 1.536 178.178 176.600 0.069 0.000 0.998 226 E CA 0.852 57.320 56.400 0.113 0.000 0.818 226 E CB -0.162 29.580 29.700 0.070 0.000 0.741 226 E HN 0.580 nan 8.360 nan 0.000 0.477 227 F N 0.356 120.236 119.950 -0.117 0.000 2.171 227 F HA -0.182 4.345 4.527 -0.000 0.000 0.300 227 F C 1.526 177.248 175.800 -0.130 0.000 1.090 227 F CA 1.219 59.103 58.000 -0.192 0.000 1.293 227 F CB -0.030 38.783 39.000 -0.311 0.000 1.013 227 F HN -0.088 nan 8.300 nan 0.000 0.486 228 F N 0.278 120.329 119.950 0.169 0.000 2.325 228 F HA 0.044 4.571 4.527 -0.000 0.000 0.299 228 F C 2.472 178.221 175.800 -0.085 0.000 1.090 228 F CA 0.800 58.826 58.000 0.044 0.000 1.392 228 F CB -1.452 37.645 39.000 0.162 0.000 1.053 228 F HN 0.060 nan 8.300 nan 0.000 0.521 229 A N 0.056 122.927 122.820 0.084 0.000 2.016 229 A HA 0.380 4.700 4.320 -0.000 0.000 0.217 229 A C 1.637 179.160 177.584 -0.102 0.000 1.162 229 A CA 0.591 52.633 52.037 0.009 0.000 0.662 229 A CB -0.988 18.035 19.000 0.038 0.000 0.812 229 A HN 0.155 nan 8.150 nan 0.000 0.450 230 A N 0.133 122.834 122.820 -0.198 0.000 2.425 230 A HA 0.573 4.893 4.320 -0.000 0.000 0.242 230 A C 0.521 177.902 177.584 -0.338 0.000 1.077 230 A CA -0.139 51.747 52.037 -0.252 0.000 0.781 230 A CB 0.216 19.041 19.000 -0.291 0.000 1.020 230 A HN 0.547 nan 8.150 nan 0.000 0.494 231 R N -0.024 120.303 120.500 -0.289 0.000 2.888 231 R HA 0.683 5.023 4.340 -0.000 0.000 0.264 231 R C 0.368 176.496 176.300 -0.286 0.000 1.045 231 R CA -0.157 55.740 56.100 -0.338 0.000 0.962 231 R CB 1.643 31.813 30.300 -0.216 0.000 1.210 231 R HN 1.812 nan 8.270 nan 0.000 0.479 232 G N 1.152 109.778 108.800 -0.290 0.000 2.645 232 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.239 232 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.239 232 G C -2.536 172.301 174.900 -0.105 0.000 1.331 232 G CA -1.070 43.952 45.100 -0.130 0.000 0.890 232 G HN 0.408 nan 8.290 nan 0.000 0.572 233 P HA 0.306 nan 4.420 nan 0.000 0.258 233 P C -0.229 177.091 177.300 0.033 0.000 1.172 233 P CA 1.106 64.253 63.100 0.077 0.000 0.762 233 P CB 0.147 31.888 31.700 0.068 0.000 0.764 234 K N 0.860 121.324 120.400 0.107 0.000 2.572 234 K HA 0.706 5.026 4.320 -0.000 0.000 0.263 234 K C -1.343 175.433 176.600 0.295 0.000 0.932 234 K CA -0.824 55.538 56.287 0.125 0.000 0.838 234 K CB 1.497 33.947 32.500 -0.083 0.000 1.366 234 K HN 0.306 nan 8.250 nan 0.000 0.425 235 S N 0.591 116.482 115.700 0.318 0.000 2.595 235 S HA 0.736 5.206 4.470 -0.000 0.000 0.281 235 S C -0.778 173.926 174.600 0.174 0.000 1.117 235 S CA -0.476 57.892 58.200 0.280 0.000 0.873 235 S CB 2.262 65.639 63.200 0.295 0.000 1.108 235 S HN 0.828 nan 8.310 nan 0.000 0.477 236 T N -0.445 114.066 114.554 -0.073 0.000 2.618 236 T HA 0.918 5.268 4.350 -0.000 0.000 0.286 236 T C -0.096 174.276 174.700 -0.547 0.000 1.027 236 T CA 0.170 62.045 62.100 -0.375 0.000 1.063 236 T CB 1.003 69.374 68.868 -0.828 0.000 1.440 236 T HN 1.793 nan 8.240 nan 0.000 0.505 237 G N 0.001 108.344 108.800 -0.762 0.000 2.364 237 G HA2 0.266 4.226 3.960 -0.000 0.000 0.286 237 G HA3 0.266 4.226 3.960 -0.000 0.000 0.286 237 G C -0.075 174.590 174.900 -0.392 0.000 1.241 237 G CA -0.305 44.218 45.100 -0.960 0.000 0.887 237 G HN 0.684 nan 8.290 nan 0.000 0.484 238 R N 0.311 120.788 120.500 -0.039 0.000 2.189 238 R HA 0.014 4.354 4.340 -0.000 0.000 0.223 238 R C 1.890 178.203 176.300 0.022 0.000 1.092 238 R CA 1.536 57.737 56.100 0.167 0.000 0.989 238 R CB -0.029 30.370 30.300 0.165 0.000 0.876 238 R HN 0.506 nan 8.270 nan 0.000 0.457 239 E N 0.772 120.924 120.200 -0.080 0.000 2.110 239 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 239 E C 1.970 178.446 176.600 -0.207 0.000 0.988 239 E CA 1.255 57.585 56.400 -0.117 0.000 0.804 239 E CB -0.017 29.599 29.700 -0.139 0.000 0.745 239 E HN 0.277 nan 8.360 nan 0.000 0.458 240 R N -0.717 119.554 120.500 -0.382 0.000 2.056 240 R HA 0.118 4.458 4.340 -0.000 0.000 0.215 240 R C -0.188 175.555 176.300 -0.927 0.000 1.205 240 R CA 0.248 55.905 56.100 -0.738 0.000 1.020 240 R CB 0.159 29.774 30.300 -1.140 0.000 0.911 240 R HN 0.008 nan 8.270 nan 0.000 0.451 241 F N 2.386 122.090 119.950 -0.411 0.000 2.371 241 F HA 0.315 4.842 4.527 -0.000 0.000 0.363 241 F C -0.412 175.365 175.800 -0.037 0.000 1.122 241 F CA -0.692 57.048 58.000 -0.433 0.000 1.129 241 F CB 0.873 39.666 39.000 -0.346 0.000 1.173 241 F HN 0.295 nan 8.300 nan 0.000 0.489 242 N N 1.128 119.969 118.700 0.235 0.000 3.243 242 N HA 0.351 5.091 4.740 -0.000 0.000 0.280 242 N C -0.119 175.603 175.510 0.355 0.000 1.545 242 N CA -0.884 52.325 53.050 0.265 0.000 0.854 242 N CB 0.678 39.282 38.487 0.195 0.000 1.612 242 N HN 0.223 nan 8.380 nan 0.000 0.577 243 L N -0.283 121.102 121.223 0.271 0.000 2.072 243 L HA 0.279 4.619 4.340 -0.000 0.000 0.205 243 L C -1.129 175.878 176.870 0.228 0.000 1.079 243 L CA 1.623 56.617 54.840 0.257 0.000 0.752 243 L CB -1.308 40.866 42.059 0.191 0.000 0.906 243 L HN 0.626 nan 8.230 nan 0.000 0.436 244 P HA -0.207 nan 4.420 nan 0.000 0.216 244 P C 1.186 178.615 177.300 0.214 0.000 1.150 244 P CA 1.357 64.556 63.100 0.166 0.000 0.837 244 P CB -0.304 31.478 31.700 0.137 0.000 0.786 245 W N 0.720 122.081 121.300 0.102 0.000 2.335 245 W HA -0.214 4.446 4.660 -0.000 0.000 0.311 245 W C 1.987 178.647 176.519 0.236 0.000 1.213 245 W CA 1.243 58.675 57.345 0.145 0.000 1.274 245 W CB -1.111 28.428 29.460 0.133 0.000 1.148 245 W HN -0.152 nan 8.180 nan 0.000 0.498 246 L N 1.180 122.552 121.223 0.249 0.000 2.017 246 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 246 L C 2.352 179.183 176.870 -0.065 0.000 1.073 246 L CA 2.349 57.164 54.840 -0.041 0.000 0.745 246 L CB -1.256 40.857 42.059 0.089 0.000 0.894 246 L HN 0.147 nan 8.230 nan 0.000 0.432 247 Q N -1.057 118.761 119.800 0.030 0.000 2.291 247 Q HA -0.188 4.152 4.340 -0.000 0.000 0.205 247 Q C 2.206 178.197 176.000 -0.015 0.000 0.970 247 Q CA 1.297 57.119 55.803 0.030 0.000 0.876 247 Q CB 0.005 28.794 28.738 0.085 0.000 0.935 247 Q HN 0.619 nan 8.270 nan 0.000 0.455 248 E N -0.392 119.774 120.200 -0.057 0.000 2.072 248 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 248 E C 1.343 177.808 176.600 -0.225 0.000 0.985 248 E CA 1.314 57.629 56.400 -0.142 0.000 0.801 248 E CB -0.157 29.433 29.700 -0.183 0.000 0.750 248 E HN 0.635 nan 8.360 nan 0.000 0.452 249 H N -0.191 118.730 119.070 -0.249 0.000 2.457 249 H HA 0.150 4.706 4.556 -0.000 0.000 0.294 249 H C 2.103 177.373 175.328 -0.096 0.000 1.064 249 H CA 1.624 57.546 56.048 -0.210 0.000 1.330 249 H CB -0.034 29.522 29.762 -0.343 0.000 1.395 249 H HN 0.227 nan 8.280 nan 0.000 0.541 250 L N -0.558 120.667 121.223 0.003 0.000 2.179 250 L HA 0.037 4.377 4.340 -0.000 0.000 0.208 250 L C 2.309 179.182 176.870 0.005 0.000 1.096 250 L CA 0.639 55.488 54.840 0.016 0.000 0.779 250 L CB -0.216 41.836 42.059 -0.012 0.000 0.922 250 L HN 0.268 nan 8.230 nan 0.000 0.443 251 A N -0.024 122.770 122.820 -0.044 0.000 2.235 251 A HA -0.042 4.278 4.320 -0.000 0.000 0.208 251 A C 2.030 179.527 177.584 -0.146 0.000 1.172 251 A CA 0.510 52.511 52.037 -0.060 0.000 0.786 251 A CB -0.414 18.557 19.000 -0.047 0.000 0.804 251 A HN 0.345 nan 8.150 nan 0.000 0.479 252 R N -0.512 119.817 120.500 -0.285 0.000 2.300 252 R HA 0.165 4.505 4.340 -0.000 0.000 0.199 252 R C -0.438 175.355 176.300 -0.845 0.000 0.920 252 R CA 0.332 56.080 56.100 -0.586 0.000 1.046 252 R CB 0.193 30.041 30.300 -0.752 0.000 0.984 252 R HN 0.538 nan 8.270 nan 0.000 0.493 253 H N -0.564 118.500 119.070 -0.011 0.000 3.012 253 H HA 0.292 4.848 4.556 -0.000 0.000 0.367 253 H C -2.477 172.854 175.328 0.005 0.000 1.211 253 H CA -2.647 53.399 56.048 -0.005 0.000 1.139 253 H CB 0.988 30.745 29.762 -0.009 0.000 1.838 253 H HN -0.193 nan 8.280 nan 0.000 0.550 254 P HA 0.063 nan 4.420 nan 0.000 0.266 254 P C -0.346 177.003 177.300 0.082 0.000 1.193 254 P CA -0.120 63.028 63.100 0.080 0.000 0.770 254 P CB 0.334 32.073 31.700 0.065 0.000 0.836 255 A N 2.761 125.626 122.820 0.074 0.000 2.566 255 A HA 0.127 4.447 4.320 -0.000 0.000 0.245 255 A C -0.082 177.549 177.584 0.079 0.000 1.056 255 A CA 0.293 52.382 52.037 0.087 0.000 0.757 255 A CB -0.733 18.320 19.000 0.088 0.000 0.979 255 A HN 0.492 nan 8.150 nan 0.000 0.508 256 L N 4.198 125.473 121.223 0.087 0.000 2.344 256 L HA 0.596 4.936 4.340 -0.000 0.000 0.272 256 L C -2.015 174.912 176.870 0.095 0.000 1.035 256 L CA -1.790 53.088 54.840 0.063 0.000 0.807 256 L CB 1.150 43.226 42.059 0.027 0.000 1.237 256 L HN 0.461 nan 8.230 nan 0.000 0.442 257 P HA 0.166 nan 4.420 nan 0.000 0.268 257 P C -0.097 177.276 177.300 0.122 0.000 1.204 257 P CA -0.045 63.109 63.100 0.089 0.000 0.768 257 P CB 0.835 32.561 31.700 0.044 0.000 0.842 258 A N 3.874 126.832 122.820 0.230 0.000 1.940 258 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 258 A C 2.083 179.694 177.584 0.045 0.000 1.176 258 A CA 2.084 54.372 52.037 0.418 0.000 0.631 258 A CB -1.434 17.875 19.000 0.514 0.000 0.814 258 A HN 0.564 nan 8.150 nan 0.000 0.446 259 A N -0.385 122.279 122.820 -0.261 0.000 2.015 259 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 259 A C 1.666 178.983 177.584 -0.445 0.000 1.163 259 A CA 1.770 53.339 52.037 -0.780 0.000 0.646 259 A CB -0.427 18.256 19.000 -0.528 0.000 0.806 259 A HN 0.461 nan 8.150 nan 0.000 0.448 260 D N -0.043 120.228 120.400 -0.216 0.000 2.149 260 D HA -0.035 4.605 4.640 -0.000 0.000 0.201 260 D C 1.784 177.968 176.300 -0.193 0.000 0.972 260 D CA 0.800 54.703 54.000 -0.163 0.000 0.835 260 D CB -0.263 40.484 40.800 -0.088 0.000 0.966 260 D HN 0.517 nan 8.370 nan 0.000 0.476 261 I N 0.503 120.951 120.570 -0.204 0.000 2.226 261 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 261 I C 2.432 178.316 176.117 -0.389 0.000 1.100 261 I CA 0.933 62.018 61.300 -0.359 0.000 1.374 261 I CB -0.104 37.546 38.000 -0.584 0.000 1.057 261 I HN -0.064 nan 8.210 nan 0.000 0.413 262 Q N 1.236 120.845 119.800 -0.319 0.000 2.061 262 Q HA -0.198 4.142 4.340 -0.000 0.000 0.204 262 Q C 2.224 178.115 176.000 -0.181 0.000 0.984 262 Q CA 2.379 58.055 55.803 -0.211 0.000 0.846 262 Q CB -0.340 28.146 28.738 -0.419 0.000 0.902 262 Q HN 0.501 nan 8.270 nan 0.000 0.421 263 A N -0.836 121.852 122.820 -0.220 0.000 1.940 263 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 263 A C 2.272 179.766 177.584 -0.149 0.000 1.176 263 A CA 2.025 53.967 52.037 -0.159 0.000 0.631 263 A CB -1.031 17.877 19.000 -0.154 0.000 0.814 263 A HN 0.516 nan 8.150 nan 0.000 0.446 264 T N 0.514 114.962 114.554 -0.177 0.000 2.777 264 T HA -0.065 4.285 4.350 -0.000 0.000 0.266 264 T C 1.802 176.408 174.700 -0.156 0.000 1.040 264 T CA 1.423 63.414 62.100 -0.181 0.000 1.141 264 T CB -0.389 68.360 68.868 -0.199 0.000 0.868 264 T HN 0.378 nan 8.240 nan 0.000 0.444 265 L N 0.523 121.657 121.223 -0.148 0.000 2.083 265 L HA -0.030 4.310 4.340 -0.000 0.000 0.209 265 L C 2.474 179.302 176.870 -0.070 0.000 1.083 265 L CA 0.908 55.691 54.840 -0.094 0.000 0.752 265 L CB -0.600 41.418 42.059 -0.069 0.000 0.899 265 L HN 0.228 nan 8.230 nan 0.000 0.433 266 L N -0.077 121.107 121.223 -0.066 0.000 2.017 266 L HA -0.243 4.097 4.340 -0.000 0.000 0.208 266 L C 2.581 179.404 176.870 -0.077 0.000 1.073 266 L CA 1.531 56.340 54.840 -0.051 0.000 0.745 266 L CB -0.098 41.939 42.059 -0.037 0.000 0.894 266 L HN 0.188 nan 8.230 nan 0.000 0.432 267 E N -0.224 119.914 120.200 -0.104 0.000 2.106 267 E HA -0.246 4.104 4.350 -0.000 0.000 0.192 267 E C 1.974 178.489 176.600 -0.142 0.000 0.984 267 E CA 1.308 57.634 56.400 -0.123 0.000 0.806 267 E CB -0.363 29.244 29.700 -0.156 0.000 0.750 267 E HN 0.451 nan 8.360 nan 0.000 0.458 268 L N 0.077 121.211 121.223 -0.149 0.000 2.013 268 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 268 L C 2.153 178.908 176.870 -0.192 0.000 1.073 268 L CA 2.133 56.860 54.840 -0.187 0.000 0.753 268 L CB -0.824 41.157 42.059 -0.130 0.000 0.890 268 L HN 0.037 nan 8.230 nan 0.000 0.432 269 S N -0.209 115.416 115.700 -0.125 0.000 2.356 269 S HA -0.137 4.333 4.470 -0.000 0.000 0.223 269 S C 2.093 176.644 174.600 -0.082 0.000 1.032 269 S CA 1.107 59.251 58.200 -0.094 0.000 1.005 269 S CB -0.717 62.441 63.200 -0.070 0.000 0.867 269 S HN 0.698 nan 8.310 nan 0.000 0.449 270 A N 2.346 125.116 122.820 -0.083 0.000 1.865 270 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 270 A C 2.211 179.749 177.584 -0.078 0.000 1.191 270 A CA 1.288 53.282 52.037 -0.071 0.000 0.623 270 A CB -0.472 18.486 19.000 -0.069 0.000 0.826 270 A HN 0.284 nan 8.150 nan 0.000 0.444 271 R N 0.157 120.591 120.500 -0.110 0.000 2.066 271 R HA -0.099 4.241 4.340 -0.000 0.000 0.232 271 R C 2.691 178.917 176.300 -0.124 0.000 1.131 271 R CA 1.737 57.766 56.100 -0.118 0.000 0.955 271 R CB -0.965 29.244 30.300 -0.152 0.000 0.851 271 R HN 0.753 nan 8.270 nan 0.000 0.432 272 S N 0.838 116.425 115.700 -0.187 0.000 2.368 272 S HA -0.100 4.370 4.470 -0.000 0.000 0.225 272 S C 2.213 176.832 174.600 0.031 0.000 1.030 272 S CA 0.925 59.033 58.200 -0.153 0.000 0.999 272 S CB -0.544 62.477 63.200 -0.299 0.000 0.844 272 S HN 0.184 nan 8.310 nan 0.000 0.459 273 I N 1.859 122.442 120.570 0.022 0.000 2.113 273 I HA -0.183 3.987 4.170 -0.000 0.000 0.238 273 I C 2.879 179.021 176.117 0.042 0.000 1.070 273 I CA 1.493 62.825 61.300 0.053 0.000 1.332 273 I CB -0.665 37.341 38.000 0.010 0.000 1.044 273 I HN 0.301 nan 8.210 nan 0.000 0.402 274 S N 0.304 116.005 115.700 0.002 0.000 2.353 274 S HA -0.240 4.230 4.470 -0.000 0.000 0.222 274 S C 1.886 176.496 174.600 0.016 0.000 1.035 274 S CA 1.638 59.837 58.200 -0.003 0.000 1.025 274 S CB -0.399 62.786 63.200 -0.024 0.000 0.902 274 S HN 0.448 nan 8.310 nan 0.000 0.440 275 E N 1.021 121.226 120.200 0.009 0.000 2.110 275 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 275 E C 2.452 179.082 176.600 0.049 0.000 0.988 275 E CA 1.407 57.816 56.400 0.015 0.000 0.804 275 E CB -0.185 29.510 29.700 -0.009 0.000 0.745 275 E HN 0.627 nan 8.360 nan 0.000 0.458 276 S N 0.754 116.512 115.700 0.098 0.000 2.395 276 S HA -0.080 4.390 4.470 -0.000 0.000 0.225 276 S C 2.055 176.826 174.600 0.284 0.000 1.027 276 S CA 0.338 58.638 58.200 0.166 0.000 0.965 276 S CB -0.278 63.083 63.200 0.269 0.000 0.812 276 S HN 0.224 nan 8.310 nan 0.000 0.482 277 L N 0.770 122.117 121.223 0.206 0.000 2.005 277 L HA 0.091 4.431 4.340 -0.000 0.000 0.207 277 L C 2.520 179.449 176.870 0.097 0.000 1.072 277 L CA 1.393 56.316 54.840 0.138 0.000 0.744 277 L CB -0.316 41.767 42.059 0.039 0.000 0.895 277 L HN 0.331 nan 8.230 nan 0.000 0.433 278 L N -0.425 120.834 121.223 0.060 0.000 2.141 278 L HA -0.233 4.107 4.340 -0.000 0.000 0.209 278 L C 2.342 179.236 176.870 0.040 0.000 1.094 278 L CA 1.374 56.234 54.840 0.034 0.000 0.763 278 L CB -0.815 41.253 42.059 0.016 0.000 0.908 278 L HN 0.487 nan 8.230 nan 0.000 0.437 279 D N 0.563 120.993 120.400 0.049 0.000 2.144 279 D HA -0.197 4.443 4.640 -0.000 0.000 0.199 279 D C 1.916 178.244 176.300 0.047 0.000 0.984 279 D CA 1.559 55.578 54.000 0.032 0.000 0.834 279 D CB 0.478 41.283 40.800 0.008 0.000 0.955 279 D HN 0.337 nan 8.370 nan 0.000 0.465 280 A N -0.405 122.475 122.820 0.101 0.000 1.997 280 A HA 0.039 4.359 4.320 -0.000 0.000 0.212 280 A C 1.551 179.185 177.584 0.084 0.000 1.178 280 A CA 0.284 52.396 52.037 0.126 0.000 0.698 280 A CB 0.206 19.378 19.000 0.287 0.000 0.842 280 A HN 0.261 nan 8.150 nan 0.000 0.458 281 Q N -0.210 119.629 119.800 0.064 0.000 3.300 281 Q HA 0.197 4.537 4.340 -0.000 0.000 0.271 281 Q C -2.214 173.796 176.000 0.017 0.000 0.926 281 Q CA -1.711 54.111 55.803 0.031 0.000 0.788 281 Q CB 1.476 30.223 28.738 0.015 0.000 1.385 281 Q HN 0.293 nan 8.270 nan 0.000 0.424 282 P HA -0.100 nan 4.420 nan 0.000 0.220 282 P C 0.559 177.859 177.300 0.000 0.000 1.148 282 P CA 1.599 64.703 63.100 0.008 0.000 0.803 282 P CB 0.027 31.732 31.700 0.008 0.000 0.782 283 D N -0.653 119.747 120.400 -0.001 0.000 2.324 283 D HA 0.041 4.681 4.640 -0.000 0.000 0.235 283 D C 0.602 176.895 176.300 -0.012 0.000 1.095 283 D CA -0.221 53.776 54.000 -0.005 0.000 0.871 283 D CB -1.260 39.538 40.800 -0.003 0.000 0.906 283 D HN 0.235 nan 8.370 nan 0.000 0.522 284 C N 0.502 119.793 119.300 -0.016 0.000 2.590 284 C HA 0.487 4.946 4.460 -0.000 0.000 0.411 284 C C 1.866 176.837 174.990 -0.031 0.000 1.420 284 C CA 1.122 60.123 59.018 -0.029 0.000 1.643 284 C CB -0.380 27.340 27.740 -0.034 0.000 2.528 284 C HN 0.626 nan 8.230 nan 0.000 0.606 285 E N 3.124 123.302 120.200 -0.036 0.000 2.372 285 E HA 0.229 4.579 4.350 -0.000 0.000 0.201 285 E C 0.490 177.066 176.600 -0.041 0.000 0.938 285 E CA 0.357 56.738 56.400 -0.032 0.000 0.944 285 E CB 0.158 29.844 29.700 -0.023 0.000 0.937 285 E HN 0.910 nan 8.360 nan 0.000 0.495 286 E N -0.456 119.706 120.200 -0.065 0.000 2.263 286 E HA 0.535 4.885 4.350 -0.000 0.000 0.268 286 E C -1.653 174.859 176.600 -0.146 0.000 0.884 286 E CA -0.764 55.582 56.400 -0.089 0.000 0.766 286 E CB 2.749 32.396 29.700 -0.088 0.000 1.196 286 E HN 0.101 nan 8.360 nan 0.000 0.416 287 V N 4.701 124.524 119.914 -0.151 0.000 2.334 287 V HA 0.296 4.416 4.120 -0.000 0.000 0.281 287 V C -0.313 175.624 176.094 -0.262 0.000 1.016 287 V CA -0.640 61.545 62.300 -0.192 0.000 0.832 287 V CB 0.772 32.514 31.823 -0.136 0.000 0.999 287 V HN 0.523 nan 8.190 nan 0.000 0.439 288 L N 5.860 126.838 121.223 -0.409 0.000 2.257 288 L HA 0.559 4.899 4.340 -0.000 0.000 0.290 288 L C -0.415 176.202 176.870 -0.421 0.000 1.044 288 L CA -0.572 53.934 54.840 -0.556 0.000 0.810 288 L CB 1.423 42.855 42.059 -1.045 0.000 1.193 288 L HN 0.324 nan 8.230 nan 0.000 0.425 289 V N 2.770 122.499 119.914 -0.309 0.000 2.394 289 V HA 0.419 4.539 4.120 -0.000 0.000 0.282 289 V C 0.394 176.350 176.094 -0.231 0.000 1.031 289 V CA -0.534 61.620 62.300 -0.243 0.000 0.881 289 V CB 1.399 33.100 31.823 -0.204 0.000 0.982 289 V HN 1.021 nan 8.190 nan 0.000 0.451 290 C N 2.077 121.268 119.300 -0.182 0.000 3.028 290 C HA 1.074 5.534 4.460 -0.000 0.000 0.338 290 C C 0.621 175.552 174.990 -0.098 0.000 1.366 290 C CA -0.411 58.532 59.018 -0.125 0.000 1.610 290 C CB 0.809 28.522 27.740 -0.045 0.000 2.063 290 C HN 1.791 nan 8.230 nan 0.000 0.463 291 G N -0.375 108.382 108.800 -0.072 0.000 2.829 291 G HA2 0.347 4.307 3.960 -0.000 0.000 0.628 291 G HA3 0.347 4.307 3.960 -0.000 0.000 0.628 291 G C 0.675 175.519 174.900 -0.093 0.000 1.412 291 G CA -0.071 44.984 45.100 -0.074 0.000 0.864 291 G HN 2.200 nan 8.290 nan 0.000 0.544 292 G N -0.208 108.542 108.800 -0.084 0.000 2.469 292 G HA2 0.147 4.107 3.960 -0.000 0.000 0.220 292 G HA3 0.147 4.107 3.960 -0.000 0.000 0.220 292 G C 2.012 176.895 174.900 -0.028 0.000 1.136 292 G CA 2.020 47.088 45.100 -0.053 0.000 0.759 292 G HN 2.025 nan 8.290 nan 0.000 0.562 293 G N 0.937 109.700 108.800 -0.061 0.000 2.479 293 G HA2 0.036 3.995 3.960 -0.000 0.000 0.220 293 G HA3 0.036 3.995 3.960 -0.000 0.000 0.220 293 G C 1.915 176.754 174.900 -0.101 0.000 1.115 293 G CA 1.331 46.397 45.100 -0.057 0.000 0.757 293 G HN 0.674 nan 8.290 nan 0.000 0.560 294 A N 0.089 122.784 122.820 -0.208 0.000 2.070 294 A HA 0.181 4.501 4.320 -0.000 0.000 0.220 294 A C 1.655 178.951 177.584 -0.480 0.000 1.159 294 A CA 0.869 52.672 52.037 -0.391 0.000 0.656 294 A CB -0.335 18.320 19.000 -0.574 0.000 0.800 294 A HN 0.323 nan 8.150 nan 0.000 0.453 295 F N -0.411 119.516 119.950 -0.038 0.000 2.664 295 F HA 0.237 4.763 4.527 -0.000 0.000 0.303 295 F C 0.751 176.550 175.800 -0.003 0.000 1.092 295 F CA -0.808 57.178 58.000 -0.022 0.000 1.305 295 F CB 0.018 38.998 39.000 -0.033 0.000 1.054 295 F HN 0.107 nan 8.300 nan 0.000 0.565 296 N N 0.917 119.678 118.700 0.102 0.000 2.448 296 N HA 0.011 4.751 4.740 -0.000 0.000 0.250 296 N C 1.061 176.604 175.510 0.055 0.000 1.136 296 N CA 0.380 53.481 53.050 0.085 0.000 0.953 296 N CB 0.740 39.262 38.487 0.058 0.000 1.251 296 N HN 0.056 nan 8.380 nan 0.000 0.502 297 T N 2.372 116.971 114.554 0.074 0.000 2.635 297 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 297 T C 1.783 176.501 174.700 0.029 0.000 1.040 297 T CA 2.031 64.162 62.100 0.052 0.000 1.156 297 T CB -0.196 68.709 68.868 0.062 0.000 0.863 297 T HN 0.657 nan 8.240 nan 0.000 0.430 298 A N 0.817 123.657 122.820 0.034 0.000 1.972 298 A HA -0.006 4.314 4.320 -0.000 0.000 0.219 298 A C 2.245 179.830 177.584 0.002 0.000 1.169 298 A CA 1.272 53.320 52.037 0.018 0.000 0.635 298 A CB -0.692 18.323 19.000 0.024 0.000 0.810 298 A HN 0.401 nan 8.150 nan 0.000 0.446 299 L N -1.068 120.157 121.223 0.003 0.000 2.044 299 L HA -0.047 4.293 4.340 -0.000 0.000 0.205 299 L C 2.296 179.149 176.870 -0.028 0.000 1.075 299 L CA 1.746 56.577 54.840 -0.015 0.000 0.747 299 L CB -0.483 41.567 42.059 -0.014 0.000 0.903 299 L HN 0.272 nan 8.230 nan 0.000 0.435 300 M N 0.092 119.675 119.600 -0.027 0.000 2.213 300 M HA -0.179 4.301 4.480 -0.000 0.000 0.263 300 M C 2.438 178.719 176.300 -0.032 0.000 1.062 300 M CA 2.093 57.368 55.300 -0.041 0.000 1.105 300 M CB -1.403 31.169 32.600 -0.047 0.000 1.385 300 M HN 0.435 nan 8.290 nan 0.000 0.417 301 K N 0.206 120.595 120.400 -0.019 0.000 2.031 301 K HA -0.075 4.245 4.320 -0.000 0.000 0.205 301 K C 2.040 178.627 176.600 -0.022 0.000 1.049 301 K CA 1.039 57.316 56.287 -0.016 0.000 0.939 301 K CB -0.722 31.774 32.500 -0.007 0.000 0.717 301 K HN 0.193 nan 8.250 nan 0.000 0.438 302 R N 0.326 120.811 120.500 -0.025 0.000 2.096 302 R HA 0.081 4.421 4.340 -0.000 0.000 0.235 302 R C 2.360 178.638 176.300 -0.036 0.000 1.127 302 R CA 1.218 57.299 56.100 -0.032 0.000 0.968 302 R CB -0.853 29.424 30.300 -0.038 0.000 0.861 302 R HN 0.520 nan 8.270 nan 0.000 0.440 303 L N -0.062 121.138 121.223 -0.039 0.000 2.141 303 L HA -0.110 4.230 4.340 -0.000 0.000 0.209 303 L C 2.478 179.324 176.870 -0.039 0.000 1.094 303 L CA 1.232 56.047 54.840 -0.043 0.000 0.763 303 L CB -0.504 41.524 42.059 -0.052 0.000 0.908 303 L HN 0.136 nan 8.230 nan 0.000 0.437 304 A N -0.542 122.256 122.820 -0.036 0.000 1.929 304 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 304 A C 2.279 179.848 177.584 -0.026 0.000 1.176 304 A CA 1.204 53.222 52.037 -0.031 0.000 0.628 304 A CB -0.262 18.722 19.000 -0.027 0.000 0.816 304 A HN 0.231 nan 8.150 nan 0.000 0.444 305 M N -0.447 119.138 119.600 -0.024 0.000 2.132 305 M HA 0.015 4.495 4.480 -0.000 0.000 0.263 305 M C 1.929 178.216 176.300 -0.022 0.000 1.065 305 M CA 1.272 56.559 55.300 -0.021 0.000 1.122 305 M CB -1.302 31.286 32.600 -0.020 0.000 1.365 305 M HN 0.358 nan 8.290 nan 0.000 0.411 306 L N -1.279 119.928 121.223 -0.027 0.000 2.492 306 L HA 0.050 4.390 4.340 -0.000 0.000 0.223 306 L C 0.731 177.587 176.870 -0.024 0.000 1.132 306 L CA 0.283 55.107 54.840 -0.027 0.000 0.850 306 L CB -0.046 41.993 42.059 -0.033 0.000 0.966 306 L HN 0.226 nan 8.230 nan 0.000 0.454 307 M N -0.116 119.469 119.600 -0.025 0.000 2.488 307 M HA 0.226 4.706 4.480 -0.000 0.000 0.204 307 M C -1.874 174.412 176.300 -0.023 0.000 0.969 307 M CA -1.309 53.976 55.300 -0.024 0.000 0.720 307 M CB 1.284 33.866 32.600 -0.030 0.000 1.427 307 M HN -0.210 nan 8.290 nan 0.000 0.427 308 P HA -0.116 nan 4.420 nan 0.000 0.221 308 P C 1.042 178.332 177.300 -0.017 0.000 1.150 308 P CA 1.103 64.193 63.100 -0.017 0.000 0.800 308 P CB 0.193 31.885 31.700 -0.014 0.000 0.787 309 E N -0.390 119.800 120.200 -0.016 0.000 2.338 309 E HA 0.024 4.374 4.350 -0.000 0.000 0.197 309 E C 0.286 176.875 176.600 -0.020 0.000 1.007 309 E CA 0.022 56.412 56.400 -0.016 0.000 0.849 309 E CB -0.090 29.602 29.700 -0.014 0.000 0.774 309 E HN 0.130 nan 8.360 nan 0.000 0.506 310 A N 0.578 123.383 122.820 -0.025 0.000 2.356 310 A HA 0.504 4.824 4.320 -0.000 0.000 0.323 310 A C -0.593 176.972 177.584 -0.031 0.000 1.119 310 A CA -0.663 51.355 52.037 -0.031 0.000 0.790 310 A CB 1.197 20.172 19.000 -0.041 0.000 1.273 310 A HN 0.169 nan 8.150 nan 0.000 0.452 311 R N 1.797 122.278 120.500 -0.031 0.000 2.220 311 R HA 0.442 4.782 4.340 -0.000 0.000 0.340 311 R C -1.353 174.924 176.300 -0.039 0.000 1.076 311 R CA -0.170 55.914 56.100 -0.026 0.000 0.920 311 R CB 0.166 30.460 30.300 -0.011 0.000 1.062 311 R HN 0.465 nan 8.270 nan 0.000 0.469 312 V N 4.334 124.223 119.914 -0.043 0.000 2.368 312 V HA 0.507 4.627 4.120 -0.000 0.000 0.266 312 V C 0.100 176.163 176.094 -0.051 0.000 1.045 312 V CA -0.344 61.919 62.300 -0.061 0.000 0.899 312 V CB 0.894 32.680 31.823 -0.062 0.000 1.006 312 V HN 0.876 nan 8.190 nan 0.000 0.470 313 A N 3.766 126.553 122.820 -0.056 0.000 2.486 313 A HA 0.751 5.071 4.320 -0.000 0.000 0.300 313 A C -0.079 177.465 177.584 -0.067 0.000 1.048 313 A CA -0.480 51.542 52.037 -0.024 0.000 0.696 313 A CB 1.842 20.885 19.000 0.071 0.000 1.278 313 A HN 0.791 nan 8.150 nan 0.000 0.405 314 S N 0.470 116.115 115.700 -0.091 0.000 2.568 314 S HA 0.132 4.602 4.470 -0.000 0.000 0.282 314 S C 1.283 175.850 174.600 -0.054 0.000 1.338 314 S CA 0.884 58.989 58.200 -0.159 0.000 1.045 314 S CB 0.728 63.777 63.200 -0.251 0.000 0.873 314 S HN 1.143 nan 8.310 nan 0.000 0.516 315 T N 1.597 116.088 114.554 -0.104 0.000 3.072 315 T HA -0.085 4.265 4.350 -0.000 0.000 0.266 315 T C 1.474 176.260 174.700 0.144 0.000 1.127 315 T CA 1.548 63.637 62.100 -0.019 0.000 1.107 315 T CB -0.693 68.120 68.868 -0.091 0.000 0.910 315 T HN 0.846 nan 8.240 nan 0.000 0.513 316 D N 1.554 122.013 120.400 0.097 0.000 2.178 316 D HA -0.179 4.461 4.640 -0.000 0.000 0.201 316 D C 1.375 177.744 176.300 0.115 0.000 0.980 316 D CA 1.040 55.124 54.000 0.140 0.000 0.842 316 D CB -0.389 40.514 40.800 0.172 0.000 0.948 316 D HN 0.750 nan 8.370 nan 0.000 0.472 317 E N -0.772 119.472 120.200 0.074 0.000 2.365 317 E HA -0.044 4.306 4.350 -0.000 0.000 0.188 317 E C 0.072 176.535 176.600 -0.228 0.000 1.102 317 E CA -0.110 56.255 56.400 -0.058 0.000 0.927 317 E CB -0.349 29.281 29.700 -0.116 0.000 1.073 317 E HN 0.404 nan 8.360 nan 0.000 0.467 318 Y N -0.476 119.833 120.300 0.015 0.000 2.626 318 Y HA 0.333 4.883 4.550 -0.000 0.000 0.248 318 Y C 1.493 177.474 175.900 0.136 0.000 1.147 318 Y CA -0.066 58.075 58.100 0.069 0.000 1.219 318 Y CB 1.731 40.214 38.460 0.038 0.000 1.279 318 Y HN 0.251 nan 8.280 nan 0.000 0.541 319 G N 0.470 109.394 108.800 0.207 0.000 2.175 319 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.244 319 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.244 319 G C -0.204 174.803 174.900 0.178 0.000 0.982 319 G CA -0.035 45.161 45.100 0.159 0.000 0.641 319 G HN 0.100 nan 8.290 nan 0.000 0.527 320 I N 1.692 122.402 120.570 0.233 0.000 2.382 320 I HA 0.346 4.516 4.170 -0.000 0.000 0.286 320 I C -2.420 173.837 176.117 0.233 0.000 1.002 320 I CA -2.951 58.489 61.300 0.232 0.000 1.135 320 I CB 1.363 39.520 38.000 0.262 0.000 1.288 320 I HN -0.183 nan 8.210 nan 0.000 0.448 321 P HA 0.170 nan 4.420 nan 0.000 0.266 321 P C -1.986 175.460 177.300 0.244 0.000 1.215 321 P CA -1.077 62.210 63.100 0.312 0.000 0.763 321 P CB 0.200 32.192 31.700 0.488 0.000 0.806 322 P HA -0.252 nan 4.420 nan 0.000 0.217 322 P C 1.195 178.484 177.300 -0.018 0.000 1.151 322 P CA 1.988 65.099 63.100 0.019 0.000 0.849 322 P CB -0.276 31.343 31.700 -0.134 0.000 0.787 323 A N -2.585 120.163 122.820 -0.120 0.000 2.067 323 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 323 A C 1.484 178.717 177.584 -0.586 0.000 1.156 323 A CA 0.724 52.479 52.037 -0.469 0.000 0.683 323 A CB -1.382 17.146 19.000 -0.786 0.000 0.808 323 A HN 0.289 nan 8.150 nan 0.000 0.455 324 W N -2.240 119.130 121.300 0.117 0.000 3.127 324 W HA 0.299 4.959 4.660 -0.000 0.000 0.344 324 W C 1.719 178.323 176.519 0.141 0.000 1.151 324 W CA -0.006 57.411 57.345 0.121 0.000 1.765 324 W CB 0.023 29.552 29.460 0.116 0.000 1.085 324 W HN 0.287 nan 8.180 nan 0.000 0.596 325 M N 1.319 121.096 119.600 0.294 0.000 2.106 325 M HA -0.217 4.263 4.480 -0.000 0.000 0.259 325 M C 1.734 178.194 176.300 0.268 0.000 1.068 325 M CA 2.094 57.585 55.300 0.319 0.000 1.100 325 M CB -0.325 32.444 32.600 0.282 0.000 1.351 325 M HN 0.020 nan 8.290 nan 0.000 0.404 326 E N -0.882 119.438 120.200 0.200 0.000 2.047 326 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 326 E C 2.038 178.780 176.600 0.236 0.000 0.987 326 E CA 1.049 57.558 56.400 0.182 0.000 0.799 326 E CB -0.610 29.191 29.700 0.168 0.000 0.752 326 E HN 0.730 nan 8.360 nan 0.000 0.449 327 G N 1.302 110.256 108.800 0.257 0.000 2.469 327 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.219 327 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.219 327 G C 1.581 176.578 174.900 0.162 0.000 1.150 327 G CA 0.973 46.236 45.100 0.272 0.000 0.763 327 G HN 0.099 nan 8.290 nan 0.000 0.561 328 M N 0.769 120.426 119.600 0.095 0.000 2.117 328 M HA -0.001 4.479 4.480 -0.000 0.000 0.262 328 M C 3.058 178.978 176.300 -0.633 0.000 1.065 328 M CA 1.341 56.580 55.300 -0.103 0.000 1.114 328 M CB -0.256 32.394 32.600 0.085 0.000 1.361 328 M HN 0.309 nan 8.290 nan 0.000 0.408 329 A N -0.004 122.325 122.820 -0.817 0.000 1.940 329 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 329 A C 1.834 179.009 177.584 -0.682 0.000 1.176 329 A CA 1.662 53.028 52.037 -1.119 0.000 0.631 329 A CB -0.906 17.706 19.000 -0.647 0.000 0.814 329 A HN 0.433 nan 8.150 nan 0.000 0.446 330 F N -0.363 119.406 119.950 -0.302 0.000 2.335 330 F HA 0.123 4.650 4.527 -0.000 0.000 0.296 330 F C 2.705 178.391 175.800 -0.191 0.000 1.091 330 F CA 0.631 58.454 58.000 -0.295 0.000 1.399 330 F CB -0.373 38.529 39.000 -0.164 0.000 1.067 330 F HN 0.244 nan 8.300 nan 0.000 0.520 331 A N -0.601 122.251 122.820 0.053 0.000 1.908 331 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 331 A C 2.031 179.564 177.584 -0.085 0.000 1.181 331 A CA 1.628 53.704 52.037 0.065 0.000 0.627 331 A CB -1.568 17.503 19.000 0.119 0.000 0.818 331 A HN 0.621 nan 8.150 nan 0.000 0.445 332 W N 0.493 121.575 121.300 -0.364 0.000 2.388 332 W HA -0.093 4.567 4.660 -0.000 0.000 0.294 332 W C 1.664 178.032 176.519 -0.251 0.000 1.212 332 W CA 1.648 58.788 57.345 -0.342 0.000 1.271 332 W CB -0.228 28.964 29.460 -0.447 0.000 1.126 332 W HN 0.250 nan 8.180 nan 0.000 0.535 333 L N 0.477 121.561 121.223 -0.230 0.000 2.191 333 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 333 L C 2.661 179.499 176.870 -0.053 0.000 1.103 333 L CA 1.215 55.861 54.840 -0.323 0.000 0.769 333 L CB -1.119 40.536 42.059 -0.673 0.000 0.908 333 L HN 0.098 nan 8.230 nan 0.000 0.438 334 A N -1.027 121.795 122.820 0.002 0.000 1.930 334 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 334 A C 2.279 179.833 177.584 -0.051 0.000 1.175 334 A CA 1.433 53.560 52.037 0.150 0.000 0.627 334 A CB -0.837 18.292 19.000 0.214 0.000 0.815 334 A HN 0.508 nan 8.150 nan 0.000 0.443 335 H N -0.325 118.370 119.070 -0.626 0.000 2.353 335 H HA -0.097 4.459 4.556 -0.000 0.000 0.300 335 H C 2.067 177.182 175.328 -0.355 0.000 1.090 335 H CA 1.584 57.210 56.048 -0.703 0.000 1.327 335 H CB 0.011 29.172 29.762 -1.001 0.000 1.383 335 H HN 0.257 nan 8.280 nan 0.000 0.508 336 R N 0.051 120.214 120.500 -0.561 0.000 2.092 336 R HA -0.134 4.206 4.340 -0.000 0.000 0.231 336 R C 2.406 178.563 176.300 -0.239 0.000 1.119 336 R CA 0.960 56.743 56.100 -0.528 0.000 0.970 336 R CB -1.246 28.673 30.300 -0.635 0.000 0.864 336 R HN 0.368 nan 8.270 nan 0.000 0.440 337 F N 1.548 121.390 119.950 -0.179 0.000 2.102 337 F HA -0.155 4.372 4.527 -0.000 0.000 0.298 337 F C 2.074 177.818 175.800 -0.093 0.000 1.105 337 F CA 1.431 59.391 58.000 -0.067 0.000 1.239 337 F CB -0.242 38.783 39.000 0.043 0.000 0.991 337 F HN -0.122 nan 8.300 nan 0.000 0.474 338 L N -0.002 121.304 121.223 0.140 0.000 2.201 338 L HA -0.128 4.211 4.340 -0.000 0.000 0.212 338 L C 1.827 178.626 176.870 -0.118 0.000 1.105 338 L CA 0.876 55.761 54.840 0.075 0.000 0.775 338 L CB -0.557 41.625 42.059 0.205 0.000 0.913 338 L HN 0.127 nan 8.230 nan 0.000 0.440 339 E N 0.026 120.082 120.200 -0.240 0.000 2.489 339 E HA 0.022 4.372 4.350 -0.000 0.000 0.193 339 E C 0.006 176.473 176.600 -0.221 0.000 1.057 339 E CA -0.086 56.165 56.400 -0.249 0.000 0.866 339 E CB 0.215 29.684 29.700 -0.386 0.000 0.916 339 E HN 0.165 nan 8.360 nan 0.000 0.500 340 R N 0.056 120.396 120.500 -0.266 0.000 3.264 340 R HA -0.177 4.163 4.340 -0.000 0.000 0.251 340 R C -0.517 175.672 176.300 -0.184 0.000 0.971 340 R CA 0.476 56.424 56.100 -0.254 0.000 0.658 340 R CB -2.796 27.377 30.300 -0.211 0.000 1.095 340 R HN 0.200 nan 8.270 nan 0.000 0.443 341 L N 1.060 122.168 121.223 -0.193 0.000 2.342 341 L HA 0.564 4.904 4.340 -0.000 0.000 0.271 341 L C -1.686 175.114 176.870 -0.116 0.000 1.008 341 L CA -2.332 52.422 54.840 -0.144 0.000 0.818 341 L CB 1.965 43.923 42.059 -0.168 0.000 1.296 341 L HN -0.130 nan 8.230 nan 0.000 0.427 342 P HA 0.015 nan 4.420 nan 0.000 0.267 342 P C 0.106 177.409 177.300 0.005 0.000 1.200 342 P CA 0.063 63.158 63.100 -0.008 0.000 0.772 342 P CB 1.044 32.757 31.700 0.021 0.000 0.855 343 G N 1.939 110.767 108.800 0.047 0.000 2.781 343 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.208 343 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.208 343 G C 0.486 175.456 174.900 0.116 0.000 1.099 343 G CA -0.056 45.092 45.100 0.079 0.000 0.776 343 G HN 0.636 nan 8.290 nan 0.000 0.532 344 N N -0.184 118.577 118.700 0.101 0.000 2.476 344 N HA 0.359 5.099 4.740 -0.000 0.000 0.276 344 N C -1.089 174.471 175.510 0.084 0.000 1.204 344 N CA -0.733 52.372 53.050 0.092 0.000 0.974 344 N CB 1.179 39.722 38.487 0.093 0.000 1.204 344 N HN -0.113 nan 8.380 nan 0.000 0.543 345 C N 1.160 120.503 119.300 0.072 0.000 2.321 345 C HA 0.376 4.836 4.460 -0.000 0.000 0.323 345 C C -1.232 173.796 174.990 0.063 0.000 1.191 345 C CA -0.920 58.137 59.018 0.064 0.000 1.455 345 C CB 1.283 29.056 27.740 0.054 0.000 2.083 345 C HN 0.659 nan 8.230 nan 0.000 0.442 346 P HA -0.134 nan 4.420 nan 0.000 0.216 346 P C 0.713 178.048 177.300 0.058 0.000 1.150 346 P CA 1.642 64.776 63.100 0.057 0.000 0.843 346 P CB 0.292 32.021 31.700 0.048 0.000 0.787 347 D N -1.642 118.793 120.400 0.057 0.000 2.347 347 D HA -0.036 4.604 4.640 -0.000 0.000 0.215 347 D C 1.861 178.211 176.300 0.083 0.000 0.976 347 D CA 0.370 54.407 54.000 0.063 0.000 0.884 347 D CB -0.388 40.446 40.800 0.055 0.000 0.915 347 D HN 0.019 nan 8.370 nan 0.000 0.526 348 V N 0.597 120.560 119.914 0.082 0.000 2.300 348 V HA -0.137 3.983 4.120 -0.000 0.000 0.241 348 V C 2.555 178.717 176.094 0.113 0.000 1.034 348 V CA 2.101 64.461 62.300 0.100 0.000 1.021 348 V CB -0.652 31.211 31.823 0.068 0.000 0.662 348 V HN 0.339 nan 8.190 nan 0.000 0.458 349 T N -2.647 111.964 114.554 0.094 0.000 3.067 349 T HA 0.246 4.596 4.350 -0.000 0.000 0.257 349 T C 1.579 176.328 174.700 0.083 0.000 1.105 349 T CA 1.018 63.176 62.100 0.097 0.000 1.104 349 T CB 0.524 69.450 68.868 0.096 0.000 0.925 349 T HN 1.047 nan 8.240 nan 0.000 0.498 350 G N 1.510 110.354 108.800 0.072 0.000 2.162 350 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.260 350 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.260 350 G C 0.360 175.294 174.900 0.057 0.000 0.976 350 G CA 0.052 45.187 45.100 0.058 0.000 0.655 350 G HN 1.187 nan 8.290 nan 0.000 0.533 351 A N -0.566 122.292 122.820 0.063 0.000 2.448 351 A HA 0.664 4.984 4.320 -0.000 0.000 0.239 351 A C 1.698 179.312 177.584 0.050 0.000 1.080 351 A CA 0.623 52.697 52.037 0.062 0.000 0.779 351 A CB 0.202 19.243 19.000 0.068 0.000 1.026 351 A HN 0.822 nan 8.150 nan 0.000 0.499 352 L N 0.927 122.177 121.223 0.045 0.000 2.083 352 L HA 0.059 4.399 4.340 -0.000 0.000 0.209 352 L C 1.472 178.361 176.870 0.032 0.000 1.083 352 L CA 1.633 56.494 54.840 0.035 0.000 0.752 352 L CB -0.480 41.597 42.059 0.029 0.000 0.899 352 L HN 0.904 nan 8.230 nan 0.000 0.433 353 G N -2.348 106.473 108.800 0.035 0.000 2.634 353 G HA2 0.390 4.350 3.960 -0.000 0.000 0.309 353 G HA3 0.390 4.350 3.960 -0.000 0.000 0.309 353 G C -2.929 171.994 174.900 0.038 0.000 1.299 353 G CA -0.614 44.505 45.100 0.033 0.000 0.798 353 G HN -0.314 nan 8.290 nan 0.000 0.490 354 P HA 0.399 nan 4.420 nan 0.000 0.271 354 P C -0.965 176.354 177.300 0.033 0.000 1.218 354 P CA -0.057 63.065 63.100 0.037 0.000 0.780 354 P CB 1.021 32.739 31.700 0.030 0.000 0.901 355 R N 0.829 121.354 120.500 0.042 0.000 2.651 355 R HA 0.362 4.702 4.340 -0.000 0.000 0.278 355 R C -0.524 175.803 176.300 0.044 0.000 1.010 355 R CA -0.645 55.480 56.100 0.040 0.000 0.896 355 R CB 1.180 31.515 30.300 0.059 0.000 1.211 355 R HN 0.330 nan 8.270 nan 0.000 0.456 356 T N 3.687 118.254 114.554 0.020 0.000 2.769 356 T HA 0.274 4.624 4.350 -0.000 0.000 0.293 356 T C 0.591 175.366 174.700 0.125 0.000 0.931 356 T CA -0.000 62.113 62.100 0.022 0.000 1.139 356 T CB 0.028 68.843 68.868 -0.089 0.000 0.881 356 T HN 0.158 nan 8.240 nan 0.000 0.532 357 L N 3.351 124.706 121.223 0.219 0.000 2.325 357 L HA 0.714 5.053 4.340 -0.000 0.000 0.279 357 L C 1.041 178.151 176.870 0.400 0.000 1.054 357 L CA -0.420 54.607 54.840 0.313 0.000 0.804 357 L CB 1.038 43.321 42.059 0.373 0.000 1.200 357 L HN 0.921 nan 8.230 nan 0.000 0.436 358 G N 1.895 110.784 108.800 0.149 0.000 2.592 358 G HA2 0.256 4.216 3.960 -0.000 0.000 0.684 358 G HA3 0.256 4.216 3.960 -0.000 0.000 0.684 358 G C -1.342 173.458 174.900 -0.168 0.000 1.291 358 G CA -0.336 44.580 45.100 -0.306 0.000 0.891 358 G HN 1.019 nan 8.290 nan 0.000 0.544 359 A N -1.061 121.485 122.820 -0.457 0.000 2.475 359 A HA 0.883 5.203 4.320 -0.000 0.000 0.301 359 A C -0.857 176.388 177.584 -0.565 0.000 1.059 359 A CA -0.161 51.675 52.037 -0.335 0.000 0.710 359 A CB 1.961 20.868 19.000 -0.155 0.000 1.288 359 A HN 2.277 nan 8.150 nan 0.000 0.408 360 L N 1.654 122.583 121.223 -0.490 0.000 2.265 360 L HA 0.636 4.976 4.340 -0.000 0.000 0.289 360 L C -1.660 175.040 176.870 -0.283 0.000 1.033 360 L CA -0.127 54.501 54.840 -0.354 0.000 0.814 360 L CB 0.241 42.237 42.059 -0.103 0.000 1.203 360 L HN 0.552 nan 8.230 nan 0.000 0.423 361 Y N 6.558 126.780 120.300 -0.130 0.000 2.593 361 Y HA 0.454 5.004 4.550 -0.000 0.000 0.331 361 Y C -2.013 173.867 175.900 -0.033 0.000 0.986 361 Y CA -2.542 55.519 58.100 -0.065 0.000 1.262 361 Y CB 0.513 38.934 38.460 -0.065 0.000 1.098 361 Y HN 0.571 nan 8.280 nan 0.000 0.506 362 P HA 0.081 nan 4.420 nan 0.000 0.271 362 P C 0.107 177.447 177.300 0.067 0.000 1.216 362 P CA -0.117 63.021 63.100 0.063 0.000 0.776 362 P CB 0.862 32.584 31.700 0.037 0.000 0.881 363 A N 0.000 122.854 122.820 0.056 0.000 2.254 363 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 363 A CA 0.000 52.064 52.037 0.044 0.000 0.836 363 A CB 0.000 19.020 19.000 0.034 0.000 0.831 363 A HN 0.000 nan 8.150 nan 0.000 0.486