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 3pxz_1_A DATA FIRST_RESID -3 DATA SEQUENCE SPEFMENFQK VEKIGEGTYG VVYKARNKLT GEVVALKKIR LDTETEGVPS DATA SEQUENCE TAIREISLLK ELNHPNIVKL LDVIHTENKL YLVFEFLHQD LKKFMDASAL DATA SEQUENCE TGIPLPLIKS YLFQLLQGLA FCHSHRVLHR DLKPQNLLIN TEGAIKLADF DATA SEQUENCE GLARAFGVPV RTYTHEVVTL WYRAPEILLG CKYYSTAVDI WSLGCIFAEM DATA SEQUENCE VTRRALFPGD SEIDQLFRIF RTLGTPDEVV WPGVTSMPDY KPSFPKWARQ DATA SEQUENCE DFSKVVPPLD EDGRSLLSQM LHYDPNKRIS AKAALAHPFF QDVTKPVPHL DATA SEQUENCE RL 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 -3 S HA 0.000 nan 4.470 nan 0.000 0.327 -3 S C 0.000 174.565 174.600 -0.058 0.000 1.055 -3 S CA 0.000 58.189 58.200 -0.018 0.000 1.107 -3 S CB 0.000 63.199 63.200 -0.002 0.000 0.593 -2 P HA 0.314 nan 4.420 nan 0.000 0.268 -2 P C -0.567 176.512 177.300 -0.367 0.000 1.205 -2 P CA 0.025 62.962 63.100 -0.272 0.000 0.771 -2 P CB 0.507 31.963 31.700 -0.406 0.000 0.858 -1 E N 1.122 121.119 120.200 -0.337 0.000 2.277 -1 E HA 0.453 4.803 4.350 -0.000 0.000 0.274 -1 E C -0.739 175.620 176.600 -0.401 0.000 1.022 -1 E CA -0.359 55.919 56.400 -0.203 0.000 0.853 -1 E CB 0.816 30.542 29.700 0.043 0.000 1.086 -1 E HN 0.368 nan 8.360 nan 0.000 0.397 0 F N 0.981 120.966 119.950 0.057 0.000 2.577 0 F HA 0.210 4.737 4.527 -0.000 0.000 0.318 0 F C 1.170 177.023 175.800 0.090 0.000 1.065 0 F CA -1.012 57.018 58.000 0.049 0.000 0.929 0 F CB 1.214 40.213 39.000 -0.001 0.000 1.237 0 F HN 0.344 nan 8.300 nan 0.000 0.468 1 M N 0.214 119.944 119.600 0.217 0.000 2.279 1 M HA -0.119 4.361 4.480 -0.000 0.000 0.264 1 M C 1.498 177.864 176.300 0.110 0.000 1.062 1 M CA 1.341 56.691 55.300 0.083 0.000 1.099 1 M CB -0.998 31.437 32.600 -0.275 0.000 1.394 1 M HN 0.610 nan 8.290 nan 0.000 0.426 2 E N 0.329 120.577 120.200 0.081 0.000 2.333 2 E HA -0.093 4.257 4.350 -0.000 0.000 0.198 2 E C 1.414 178.002 176.600 -0.020 0.000 1.007 2 E CA 0.697 57.105 56.400 0.013 0.000 0.845 2 E CB -0.666 29.020 29.700 -0.024 0.000 0.766 2 E HN 0.640 nan 8.360 nan 0.000 0.507 3 N N -0.789 117.885 118.700 -0.044 0.000 2.494 3 N HA -0.003 4.737 4.740 -0.000 0.000 0.182 3 N C -0.493 174.724 175.510 -0.487 0.000 1.076 3 N CA -0.008 52.876 53.050 -0.277 0.000 0.908 3 N CB 0.147 38.376 38.487 -0.431 0.000 0.967 3 N HN 0.042 nan 8.380 nan 0.000 0.449 4 F N 0.644 120.565 119.950 -0.048 0.000 2.469 4 F HA 0.320 4.847 4.527 -0.000 0.000 0.332 4 F C 0.224 175.982 175.800 -0.070 0.000 1.103 4 F CA -1.020 56.944 58.000 -0.059 0.000 0.979 4 F CB 1.606 40.562 39.000 -0.074 0.000 1.137 4 F HN -0.222 nan 8.300 nan 0.000 0.463 5 Q N 4.008 123.878 119.800 0.117 0.000 2.347 5 Q HA 0.286 4.626 4.340 -0.000 0.000 0.262 5 Q C -0.853 175.167 176.000 0.033 0.000 0.980 5 Q CA -0.892 54.934 55.803 0.038 0.000 0.867 5 Q CB 1.050 29.791 28.738 0.006 0.000 1.242 5 Q HN 0.583 nan 8.270 nan 0.000 0.453 6 K N 2.048 122.434 120.400 -0.024 0.000 2.401 6 K HA 0.159 4.479 4.320 -0.000 0.000 0.278 6 K C -0.057 176.541 176.600 -0.004 0.000 1.018 6 K CA -0.255 55.997 56.287 -0.059 0.000 0.981 6 K CB 1.327 33.689 32.500 -0.230 0.000 0.933 6 K HN 0.422 nan 8.250 nan 0.000 0.477 7 V N 1.735 121.673 119.914 0.040 0.000 2.806 7 V HA 0.069 4.189 4.120 -0.000 0.000 0.239 7 V C -0.408 175.739 176.094 0.087 0.000 1.113 7 V CA 1.512 63.833 62.300 0.036 0.000 1.137 7 V CB -0.374 31.442 31.823 -0.012 0.000 0.865 7 V HN 1.125 nan 8.190 nan 0.000 0.482 8 E N 0.085 120.386 120.200 0.169 0.000 2.389 8 E HA 0.228 4.578 4.350 -0.000 0.000 0.281 8 E C -1.310 175.438 176.600 0.246 0.000 1.072 8 E CA -0.824 55.699 56.400 0.205 0.000 0.845 8 E CB 0.913 30.677 29.700 0.107 0.000 1.239 8 E HN 0.180 nan 8.360 nan 0.000 0.434 9 K N 2.640 123.106 120.400 0.110 0.000 2.379 9 K HA 0.222 4.542 4.320 -0.000 0.000 0.284 9 K C 0.736 177.291 176.600 -0.075 0.000 1.044 9 K CA -0.142 56.006 56.287 -0.232 0.000 0.974 9 K CB 0.405 32.696 32.500 -0.348 0.000 0.962 9 K HN 0.660 nan 8.250 nan 0.000 0.474 10 I N 0.399 120.934 120.570 -0.058 0.000 4.139 10 I HA 0.397 4.567 4.170 -0.000 0.000 0.335 10 I C 0.576 176.672 176.117 -0.036 0.000 1.327 10 I CA -0.426 60.886 61.300 0.021 0.000 1.112 10 I CB 0.732 38.818 38.000 0.145 0.000 1.058 10 I HN 0.679 nan 8.210 nan 0.000 0.396 11 G N 2.037 110.779 108.800 -0.098 0.000 2.341 11 G HA2 0.473 4.433 3.960 -0.000 0.000 0.299 11 G HA3 0.473 4.433 3.960 -0.000 0.000 0.299 11 G C -1.837 172.984 174.900 -0.131 0.000 1.274 11 G CA -0.282 44.751 45.100 -0.111 0.000 0.853 11 G HN 0.426 nan 8.290 nan 0.000 0.493 12 E N -0.718 119.410 120.200 -0.120 0.000 2.593 12 E HA 0.505 4.855 4.350 -0.000 0.000 0.362 12 E C 0.165 176.756 176.600 -0.016 0.000 0.962 12 E CA -0.553 55.807 56.400 -0.067 0.000 0.760 12 E CB 0.682 30.346 29.700 -0.060 0.000 1.521 12 E HN 0.972 nan 8.360 nan 0.000 0.384 13 G N 1.091 109.899 108.800 0.013 0.000 2.582 13 G HA2 0.238 4.198 3.960 -0.000 0.000 0.232 13 G HA3 0.238 4.198 3.960 -0.000 0.000 0.232 13 G C 1.017 175.906 174.900 -0.018 0.000 1.458 13 G CA 0.133 45.244 45.100 0.018 0.000 1.062 13 G HN 0.511 nan 8.290 nan 0.000 0.566 14 T N -2.837 111.576 114.554 -0.235 0.000 3.155 14 T HA -0.020 4.330 4.350 -0.000 0.000 0.264 14 T C 0.816 175.088 174.700 -0.713 0.000 1.160 14 T CA 1.091 62.876 62.100 -0.526 0.000 1.075 14 T CB -0.344 68.062 68.868 -0.770 0.000 0.921 14 T HN 0.336 nan 8.240 nan 0.000 0.533 15 Y N 1.184 121.466 120.300 -0.029 0.000 2.660 15 Y HA 0.545 5.095 4.550 0.000 0.000 0.254 15 Y C 1.565 177.466 175.900 0.002 0.000 1.176 15 Y CA -0.680 57.404 58.100 -0.027 0.000 1.195 15 Y CB 0.335 38.785 38.460 -0.017 0.000 1.190 15 Y HN 0.527 nan 8.280 nan 0.000 0.535 16 G N 0.113 108.970 108.800 0.096 0.000 2.545 16 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.216 16 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.216 16 G C -0.702 174.233 174.900 0.058 0.000 1.314 16 G CA -0.650 44.504 45.100 0.090 0.000 0.906 16 G HN 0.213 nan 8.290 nan 0.000 0.563 17 V N 0.026 119.955 119.914 0.024 0.000 2.788 17 V HA 0.437 4.557 4.120 -0.000 0.000 0.307 17 V C 0.695 176.747 176.094 -0.070 0.000 1.069 17 V CA 0.474 62.720 62.300 -0.090 0.000 1.173 17 V CB 0.971 32.683 31.823 -0.184 0.000 0.925 17 V HN 1.218 nan 8.190 nan 0.000 0.492 18 V N 7.742 127.568 119.914 -0.147 0.000 2.448 18 V HA 0.467 4.587 4.120 -0.000 0.000 0.295 18 V C -0.864 175.166 176.094 -0.107 0.000 1.025 18 V CA -0.565 61.715 62.300 -0.033 0.000 0.859 18 V CB 1.524 33.340 31.823 -0.011 0.000 0.988 18 V HN 0.826 nan 8.190 nan 0.000 0.431 19 Y N 2.939 123.294 120.300 0.091 0.000 2.409 19 Y HA 0.472 5.022 4.550 -0.000 0.000 0.339 19 Y C 0.365 176.318 175.900 0.087 0.000 1.033 19 Y CA -0.665 57.484 58.100 0.081 0.000 1.094 19 Y CB 1.757 40.259 38.460 0.069 0.000 1.210 19 Y HN 0.503 nan 8.280 nan 0.000 0.456 20 K N 2.269 122.820 120.400 0.250 0.000 2.218 20 K HA 0.792 5.112 4.320 -0.000 0.000 0.276 20 K C -1.066 175.582 176.600 0.080 0.000 1.022 20 K CA -0.216 56.134 56.287 0.104 0.000 0.946 20 K CB 0.558 33.020 32.500 -0.063 0.000 1.000 20 K HN 0.803 nan 8.250 nan 0.000 0.468 21 A N 4.024 126.862 122.820 0.030 0.000 2.566 21 A HA 0.602 4.922 4.320 -0.000 0.000 0.292 21 A C -1.334 176.296 177.584 0.077 0.000 1.112 21 A CA -0.940 51.137 52.037 0.067 0.000 0.707 21 A CB 1.489 20.547 19.000 0.097 0.000 1.302 21 A HN 0.767 nan 8.150 nan 0.000 0.409 22 R N 1.406 121.973 120.500 0.112 0.000 2.534 22 R HA 0.294 4.634 4.340 -0.000 0.000 0.301 22 R C -0.979 175.383 176.300 0.104 0.000 0.961 22 R CA -0.857 55.291 56.100 0.081 0.000 0.871 22 R CB 1.657 31.961 30.300 0.007 0.000 1.170 22 R HN 0.783 nan 8.270 nan 0.000 0.446 23 N N 2.868 121.602 118.700 0.056 0.000 2.420 23 N HA -0.012 4.728 4.740 -0.000 0.000 0.262 23 N C 0.383 175.787 175.510 -0.177 0.000 1.144 23 N CA 0.367 53.295 53.050 -0.203 0.000 0.952 23 N CB 0.939 39.343 38.487 -0.139 0.000 1.081 23 N HN 0.498 nan 8.380 nan 0.000 0.480 24 K N 3.061 123.324 120.400 -0.229 0.000 2.152 24 K HA -0.070 4.250 4.320 -0.000 0.000 0.206 24 K C 1.493 178.021 176.600 -0.119 0.000 1.048 24 K CA 1.164 57.366 56.287 -0.142 0.000 0.933 24 K CB 0.218 32.636 32.500 -0.138 0.000 0.721 24 K HN 0.545 nan 8.250 nan 0.000 0.447 25 L N -0.128 121.006 121.223 -0.148 0.000 2.202 25 L HA -0.052 4.288 4.340 -0.000 0.000 0.205 25 L C 2.419 179.245 176.870 -0.073 0.000 1.083 25 L CA 1.247 56.026 54.840 -0.102 0.000 0.790 25 L CB -0.330 41.665 42.059 -0.107 0.000 0.942 25 L HN 0.299 nan 8.230 nan 0.000 0.452 26 T N -4.970 109.538 114.554 -0.077 0.000 2.990 26 T HA 0.269 4.619 4.350 -0.000 0.000 0.250 26 T C 1.496 176.179 174.700 -0.029 0.000 1.041 26 T CA 0.565 62.640 62.100 -0.043 0.000 1.010 26 T CB 0.909 69.759 68.868 -0.030 0.000 1.003 26 T HN 0.369 nan 8.240 nan 0.000 0.499 27 G N 1.496 110.273 108.800 -0.038 0.000 2.179 27 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.260 27 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.260 27 G C -0.131 174.766 174.900 -0.004 0.000 0.977 27 G CA 0.277 45.364 45.100 -0.022 0.000 0.641 27 G HN 0.874 nan 8.290 nan 0.000 0.533 28 E N 0.472 120.678 120.200 0.010 0.000 2.376 28 E HA 0.407 4.757 4.350 -0.000 0.000 0.266 28 E C 0.500 177.133 176.600 0.054 0.000 1.009 28 E CA -0.208 56.215 56.400 0.038 0.000 0.902 28 E CB 0.997 30.730 29.700 0.056 0.000 0.972 28 E HN 0.424 nan 8.360 nan 0.000 0.439 29 V N 6.003 125.933 119.914 0.027 0.000 2.546 29 V HA 0.447 4.567 4.120 -0.000 0.000 0.284 29 V C -0.212 175.919 176.094 0.063 0.000 1.050 29 V CA -0.031 62.255 62.300 -0.023 0.000 0.981 29 V CB 1.128 32.832 31.823 -0.198 0.000 0.990 29 V HN 0.556 nan 8.190 nan 0.000 0.474 30 V N 3.665 123.632 119.914 0.088 0.000 3.156 30 V HA 1.033 5.153 4.120 -0.000 0.000 0.310 30 V C -0.327 175.887 176.094 0.200 0.000 1.234 30 V CA -0.576 61.829 62.300 0.175 0.000 1.065 30 V CB 1.509 33.419 31.823 0.145 0.000 1.088 30 V HN 1.391 nan 8.190 nan 0.000 0.451 31 A N 1.428 124.403 122.820 0.258 0.000 2.331 31 A HA 0.903 5.223 4.320 -0.000 0.000 0.320 31 A C -0.895 176.827 177.584 0.229 0.000 1.138 31 A CA -0.658 51.544 52.037 0.275 0.000 0.790 31 A CB 0.923 20.093 19.000 0.282 0.000 1.206 31 A HN 0.944 nan 8.150 nan 0.000 0.470 32 L N 1.861 123.195 121.223 0.187 0.000 2.346 32 L HA 0.581 4.921 4.340 -0.000 0.000 0.276 32 L C 0.053 177.064 176.870 0.236 0.000 1.006 32 L CA -0.565 54.367 54.840 0.153 0.000 0.817 32 L CB 2.044 44.129 42.059 0.043 0.000 1.272 32 L HN 0.771 nan 8.230 nan 0.000 0.421 33 K N 3.196 123.739 120.400 0.239 0.000 2.292 33 K HA 0.388 4.708 4.320 -0.000 0.000 0.257 33 K C -1.011 175.630 176.600 0.068 0.000 0.940 33 K CA -0.765 55.641 56.287 0.198 0.000 0.811 33 K CB 1.775 34.444 32.500 0.282 0.000 1.120 33 K HN 0.422 nan 8.250 nan 0.000 0.428 34 K N 5.569 125.979 120.400 0.017 0.000 2.240 34 K HA 0.337 4.657 4.320 -0.000 0.000 0.271 34 K C -0.976 175.512 176.600 -0.187 0.000 1.018 34 K CA -0.519 55.633 56.287 -0.224 0.000 0.874 34 K CB 0.705 33.117 32.500 -0.146 0.000 1.098 34 K HN 0.555 nan 8.250 nan 0.000 0.458 35 I N 5.125 125.515 120.570 -0.301 0.000 2.355 35 I HA 0.321 4.491 4.170 -0.000 0.000 0.288 35 I C -0.019 175.982 176.117 -0.192 0.000 0.999 35 I CA -0.817 60.351 61.300 -0.219 0.000 1.163 35 I CB 1.556 39.391 38.000 -0.275 0.000 1.316 35 I HN 0.421 nan 8.210 nan 0.000 0.454 36 R N 6.166 126.607 120.500 -0.099 0.000 2.207 36 R HA 0.496 4.836 4.340 -0.000 0.000 0.334 36 R C -1.151 175.124 176.300 -0.042 0.000 1.013 36 R CA -0.955 55.104 56.100 -0.067 0.000 0.858 36 R CB 1.075 31.360 30.300 -0.025 0.000 1.094 36 R HN 0.366 nan 8.270 nan 0.000 0.457 37 L N 2.938 124.135 121.223 -0.044 0.000 2.312 37 L HA 0.250 4.590 4.340 -0.000 0.000 0.281 37 L C 0.042 176.911 176.870 -0.002 0.000 1.070 37 L CA 0.376 55.203 54.840 -0.022 0.000 0.805 37 L CB 1.005 43.050 42.059 -0.023 0.000 1.174 37 L HN 0.413 nan 8.230 nan 0.000 0.434 38 D N 1.220 121.625 120.400 0.008 0.000 2.505 38 D HA 0.080 4.720 4.640 -0.000 0.000 0.250 38 D C 0.114 176.424 176.300 0.017 0.000 1.164 38 D CA -0.130 53.878 54.000 0.014 0.000 0.870 38 D CB 2.033 42.844 40.800 0.018 0.000 1.160 38 D HN 0.416 nan 8.370 nan 0.000 0.549 39 T N 1.840 116.404 114.554 0.017 0.000 3.667 39 T HA -0.024 4.326 4.350 -0.000 0.000 0.240 39 T C 1.548 176.259 174.700 0.018 0.000 0.919 39 T CA 0.050 62.161 62.100 0.017 0.000 0.928 39 T CB -0.306 68.572 68.868 0.017 0.000 1.151 39 T HN 0.408 nan 8.240 nan 0.000 0.644 40 E N 0.317 120.529 120.200 0.019 0.000 2.136 40 E HA -0.234 4.116 4.350 -0.000 0.000 0.208 40 E C 1.463 178.074 176.600 0.018 0.000 1.035 40 E CA 2.149 58.561 56.400 0.019 0.000 0.838 40 E CB -0.687 29.026 29.700 0.021 0.000 0.748 40 E HN 0.689 nan 8.360 nan 0.000 0.459 41 T N -2.097 112.468 114.554 0.019 0.000 2.090 41 T HA 0.192 4.542 4.350 -0.000 0.000 0.179 41 T C 1.496 176.206 174.700 0.017 0.000 0.687 41 T CA 0.176 62.286 62.100 0.018 0.000 1.523 41 T CB 0.012 68.892 68.868 0.020 0.000 3.135 41 T HN 0.074 nan 8.240 nan 0.000 0.403 42 E N 0.824 121.034 120.200 0.017 0.000 2.389 42 E HA 0.463 4.813 4.350 -0.000 0.000 0.199 42 E C 0.698 177.307 176.600 0.015 0.000 0.978 42 E CA 0.783 57.192 56.400 0.015 0.000 0.912 42 E CB 0.289 29.998 29.700 0.014 0.000 0.907 42 E HN 1.013 nan 8.360 nan 0.000 0.494 43 G N -1.099 107.712 108.800 0.018 0.000 2.340 43 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.282 43 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.282 43 G C -1.306 173.607 174.900 0.021 0.000 1.312 43 G CA -0.511 44.600 45.100 0.018 0.000 0.942 43 G HN 0.027 nan 8.290 nan 0.000 0.495 44 V N 3.225 123.150 119.914 0.020 0.000 2.529 44 V HA 0.357 4.477 4.120 -0.000 0.000 0.292 44 V C -1.108 174.999 176.094 0.022 0.000 1.028 44 V CA -0.383 61.931 62.300 0.023 0.000 1.074 44 V CB 0.799 32.631 31.823 0.015 0.000 0.958 44 V HN 0.661 nan 8.190 nan 0.000 0.481 45 P HA 0.083 nan 4.420 nan 0.000 0.268 45 P C 1.006 178.314 177.300 0.013 0.000 1.205 45 P CA 0.047 63.166 63.100 0.033 0.000 0.771 45 P CB 0.928 32.664 31.700 0.060 0.000 0.858 46 S N 1.641 117.343 115.700 0.005 0.000 2.372 46 S HA -0.252 4.218 4.470 -0.000 0.000 0.227 46 S C 1.991 176.568 174.600 -0.039 0.000 1.044 46 S CA 2.218 60.410 58.200 -0.014 0.000 1.050 46 S CB -1.867 61.327 63.200 -0.009 0.000 0.901 46 S HN 0.633 nan 8.310 nan 0.000 0.447 47 T N 1.538 116.074 114.554 -0.030 0.000 2.788 47 T HA 0.016 4.366 4.350 -0.000 0.000 0.268 47 T C 1.910 176.485 174.700 -0.207 0.000 1.044 47 T CA 1.719 63.767 62.100 -0.088 0.000 1.139 47 T CB -0.910 67.954 68.868 -0.006 0.000 0.867 47 T HN 0.641 nan 8.240 nan 0.000 0.454 48 A N 1.530 124.289 122.820 -0.103 0.000 1.898 48 A HA 0.067 4.387 4.320 -0.000 0.000 0.216 48 A C 2.281 179.791 177.584 -0.124 0.000 1.181 48 A CA 1.236 53.208 52.037 -0.108 0.000 0.620 48 A CB -0.591 18.440 19.000 0.053 0.000 0.819 48 A HN 0.545 nan 8.150 nan 0.000 0.442 49 I N -0.273 120.249 120.570 -0.080 0.000 2.208 49 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 49 I C 2.531 178.589 176.117 -0.099 0.000 1.097 49 I CA 1.805 63.064 61.300 -0.068 0.000 1.363 49 I CB -1.140 36.833 38.000 -0.044 0.000 1.051 49 I HN 0.442 nan 8.210 nan 0.000 0.413 50 R N 0.745 121.169 120.500 -0.127 0.000 2.092 50 R HA -0.146 4.194 4.340 -0.000 0.000 0.231 50 R C 2.133 178.325 176.300 -0.180 0.000 1.119 50 R CA 1.142 57.161 56.100 -0.135 0.000 0.970 50 R CB 0.093 30.314 30.300 -0.131 0.000 0.864 50 R HN 0.257 nan 8.270 nan 0.000 0.440 51 E N 0.470 120.494 120.200 -0.294 0.000 2.106 51 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 51 E C 2.014 178.506 176.600 -0.181 0.000 0.984 51 E CA 0.972 57.173 56.400 -0.331 0.000 0.806 51 E CB -0.049 29.220 29.700 -0.719 0.000 0.750 51 E HN 0.461 nan 8.360 nan 0.000 0.458 52 I N 0.889 121.374 120.570 -0.142 0.000 2.252 52 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 52 I C 2.293 178.355 176.117 -0.093 0.000 1.102 52 I CA 0.774 62.017 61.300 -0.095 0.000 1.385 52 I CB -0.110 37.848 38.000 -0.071 0.000 1.064 52 I HN -0.042 nan 8.210 nan 0.000 0.414 53 S N 0.794 116.441 115.700 -0.088 0.000 2.368 53 S HA -0.108 4.362 4.470 -0.000 0.000 0.225 53 S C 1.999 176.557 174.600 -0.069 0.000 1.030 53 S CA 1.149 59.307 58.200 -0.070 0.000 0.999 53 S CB -0.306 62.858 63.200 -0.062 0.000 0.844 53 S HN 0.334 nan 8.310 nan 0.000 0.459 54 L N 0.658 121.832 121.223 -0.082 0.000 2.046 54 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 54 L C 2.399 179.220 176.870 -0.082 0.000 1.077 54 L CA 0.841 55.641 54.840 -0.066 0.000 0.747 54 L CB -0.460 41.559 42.059 -0.067 0.000 0.896 54 L HN 0.299 nan 8.230 nan 0.000 0.432 55 L N 0.099 121.247 121.223 -0.124 0.000 2.046 55 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 55 L C 2.423 179.204 176.870 -0.148 0.000 1.077 55 L CA 1.805 56.523 54.840 -0.203 0.000 0.747 55 L CB -0.562 41.321 42.059 -0.293 0.000 0.896 55 L HN 0.082 nan 8.230 nan 0.000 0.432 56 K N -0.370 119.968 120.400 -0.104 0.000 2.211 56 K HA -0.181 4.139 4.320 -0.000 0.000 0.204 56 K C 1.836 178.412 176.600 -0.041 0.000 1.047 56 K CA 1.658 57.903 56.287 -0.070 0.000 0.935 56 K CB -0.138 32.324 32.500 -0.063 0.000 0.728 56 K HN 0.528 nan 8.250 nan 0.000 0.452 57 E N 0.421 120.601 120.200 -0.033 0.000 2.274 57 E HA -0.101 4.249 4.350 -0.000 0.000 0.194 57 E C -0.251 176.363 176.600 0.024 0.000 0.996 57 E CA 0.208 56.608 56.400 -0.000 0.000 0.840 57 E CB 0.042 29.749 29.700 0.011 0.000 0.772 57 E HN 0.049 nan 8.360 nan 0.000 0.491 58 L N 2.580 123.810 121.223 0.011 0.000 2.477 58 L HA 0.045 4.385 4.340 -0.000 0.000 0.272 58 L C -0.195 176.745 176.870 0.117 0.000 1.157 58 L CA 0.566 55.466 54.840 0.100 0.000 0.889 58 L CB 0.084 42.189 42.059 0.076 0.000 1.158 58 L HN -0.049 nan 8.230 nan 0.000 0.473 59 N N 3.449 122.239 118.700 0.150 0.000 2.491 59 N HA 0.361 5.101 4.740 -0.000 0.000 0.274 59 N C -1.065 174.373 175.510 -0.121 0.000 1.023 59 N CA -0.404 52.663 53.050 0.027 0.000 0.902 59 N CB 1.682 40.179 38.487 0.018 0.000 1.267 59 N HN 0.557 nan 8.380 nan 0.000 0.503 60 H N 2.233 121.145 119.070 -0.263 0.000 3.085 60 H HA 0.220 4.776 4.556 -0.000 0.000 0.356 60 H C -2.155 173.037 175.328 -0.227 0.000 1.178 60 H CA -1.060 54.723 56.048 -0.442 0.000 1.214 60 H CB 2.908 32.248 29.762 -0.704 0.000 1.881 60 H HN 0.174 nan 8.280 nan 0.000 0.538 61 P HA -0.067 nan 4.420 nan 0.000 0.225 61 P C -0.063 177.220 177.300 -0.030 0.000 1.148 61 P CA 1.028 63.989 63.100 -0.232 0.000 0.779 61 P CB 0.356 31.877 31.700 -0.298 0.000 0.780 62 N N -0.511 118.321 118.700 0.221 0.000 2.321 62 N HA 0.259 4.999 4.740 -0.000 0.000 0.242 62 N C -0.106 175.480 175.510 0.127 0.000 1.141 62 N CA -0.092 53.056 53.050 0.164 0.000 0.864 62 N CB 0.200 38.778 38.487 0.151 0.000 1.100 62 N HN 0.169 nan 8.380 nan 0.000 0.510 63 I N 0.436 121.094 120.570 0.146 0.000 2.499 63 I HA 0.194 4.364 4.170 -0.000 0.000 0.288 63 I C -0.205 175.994 176.117 0.135 0.000 1.048 63 I CA -1.162 60.244 61.300 0.176 0.000 1.062 63 I CB 2.198 40.322 38.000 0.208 0.000 1.238 63 I HN -0.180 nan 8.210 nan 0.000 0.426 64 V N 6.847 126.839 119.914 0.131 0.000 2.720 64 V HA -0.050 4.070 4.120 -0.000 0.000 0.307 64 V C 0.503 176.720 176.094 0.204 0.000 1.071 64 V CA 0.442 62.803 62.300 0.102 0.000 1.199 64 V CB 0.793 32.610 31.823 -0.010 0.000 0.900 64 V HN 0.736 nan 8.190 nan 0.000 0.494 65 K N 5.638 126.151 120.400 0.187 0.000 2.312 65 K HA 0.309 4.629 4.320 -0.000 0.000 0.287 65 K C -0.678 176.070 176.600 0.247 0.000 1.062 65 K CA -0.670 55.722 56.287 0.174 0.000 0.934 65 K CB 0.809 33.364 32.500 0.091 0.000 1.027 65 K HN 0.633 nan 8.250 nan 0.000 0.478 66 L N 6.468 127.757 121.223 0.110 0.000 2.260 66 L HA 0.187 4.527 4.340 -0.000 0.000 0.289 66 L C 0.183 176.961 176.870 -0.155 0.000 1.057 66 L CA 0.278 54.995 54.840 -0.204 0.000 0.811 66 L CB 0.819 42.723 42.059 -0.258 0.000 1.184 66 L HN 0.824 nan 8.230 nan 0.000 0.429 67 L N 2.897 124.011 121.223 -0.181 0.000 2.298 67 L HA 0.342 4.682 4.340 -0.000 0.000 0.209 67 L C 0.060 176.870 176.870 -0.099 0.000 1.084 67 L CA 0.320 55.107 54.840 -0.089 0.000 0.816 67 L CB -0.017 42.024 42.059 -0.029 0.000 0.967 67 L HN 0.667 nan 8.230 nan 0.000 0.460 68 D N -2.113 118.188 120.400 -0.164 0.000 2.694 68 D HA 0.357 4.997 4.640 -0.000 0.000 0.260 68 D C -1.573 174.623 176.300 -0.173 0.000 1.250 68 D CA -0.224 53.704 54.000 -0.120 0.000 0.763 68 D CB 2.379 43.149 40.800 -0.051 0.000 1.311 68 D HN -0.338 nan 8.370 nan 0.000 0.420 69 V N 2.307 122.156 119.914 -0.109 0.000 2.482 69 V HA 0.504 4.624 4.120 -0.000 0.000 0.295 69 V C -0.192 175.881 176.094 -0.036 0.000 1.026 69 V CA -0.571 61.655 62.300 -0.123 0.000 0.856 69 V CB 1.473 33.236 31.823 -0.100 0.000 1.001 69 V HN 0.447 nan 8.190 nan 0.000 0.424 70 I N 4.615 125.153 120.570 -0.054 0.000 2.339 70 I HA 0.466 4.636 4.170 -0.000 0.000 0.290 70 I C -0.521 175.614 176.117 0.030 0.000 0.994 70 I CA -0.510 60.815 61.300 0.040 0.000 1.191 70 I CB 1.277 39.309 38.000 0.052 0.000 1.343 70 I HN 0.618 nan 8.210 nan 0.000 0.458 71 H N 3.304 122.397 119.070 0.039 0.000 2.458 71 H HA 0.448 5.004 4.556 0.000 0.000 0.330 71 H C 0.402 175.791 175.328 0.102 0.000 1.111 71 H CA -0.242 55.840 56.048 0.058 0.000 1.245 71 H CB 2.040 31.812 29.762 0.017 0.000 1.456 71 H HN 0.572 nan 8.280 nan 0.000 0.488 72 T N 0.725 115.413 114.554 0.224 0.000 3.025 72 T HA 0.150 4.500 4.350 -0.000 0.000 0.142 72 T C -0.663 174.127 174.700 0.150 0.000 0.865 72 T CA -0.308 61.913 62.100 0.202 0.000 0.837 72 T CB 0.340 69.351 68.868 0.239 0.000 1.934 72 T HN 0.495 nan 8.240 nan 0.000 0.331 73 E N 2.707 122.987 120.200 0.134 0.000 2.376 73 E HA 0.308 4.658 4.350 -0.000 0.000 0.236 73 E C -0.409 176.232 176.600 0.067 0.000 0.962 73 E CA -0.187 56.269 56.400 0.093 0.000 0.768 73 E CB 0.284 30.035 29.700 0.085 0.000 1.236 73 E HN 0.748 nan 8.360 nan 0.000 0.431 74 N N 2.217 120.952 118.700 0.058 0.000 2.753 74 N HA -0.223 4.517 4.740 -0.000 0.000 0.251 74 N C -0.820 174.692 175.510 0.003 0.000 1.097 74 N CA 0.997 54.067 53.050 0.033 0.000 0.786 74 N CB -0.133 38.371 38.487 0.028 0.000 1.137 74 N HN 0.287 nan 8.380 nan 0.000 0.566 75 K N -0.021 120.378 120.400 -0.002 0.000 2.477 75 K HA 0.605 4.925 4.320 -0.000 0.000 0.255 75 K C -1.367 175.145 176.600 -0.147 0.000 0.952 75 K CA -0.767 55.461 56.287 -0.098 0.000 0.826 75 K CB 1.775 34.205 32.500 -0.117 0.000 1.331 75 K HN -0.068 nan 8.250 nan 0.000 0.437 76 L N 1.896 122.936 121.223 -0.305 0.000 2.386 76 L HA 0.448 4.788 4.340 -0.000 0.000 0.271 76 L C -1.479 175.128 176.870 -0.438 0.000 0.993 76 L CA -0.425 54.204 54.840 -0.352 0.000 0.819 76 L CB 1.227 43.042 42.059 -0.408 0.000 1.294 76 L HN 0.504 nan 8.230 nan 0.000 0.414 77 Y N 3.590 123.778 120.300 -0.187 0.000 2.334 77 Y HA 0.541 5.091 4.550 -0.000 0.000 0.336 77 Y C -0.309 175.466 175.900 -0.207 0.000 0.960 77 Y CA -0.563 57.446 58.100 -0.152 0.000 1.164 77 Y CB 1.358 39.737 38.460 -0.136 0.000 1.155 77 Y HN 0.293 nan 8.280 nan 0.000 0.478 78 L N 5.010 126.182 121.223 -0.086 0.000 2.265 78 L HA 0.455 4.795 4.340 -0.000 0.000 0.288 78 L C -0.634 176.078 176.870 -0.264 0.000 1.058 78 L CA -0.961 53.731 54.840 -0.246 0.000 0.809 78 L CB 0.845 42.772 42.059 -0.220 0.000 1.179 78 L HN 0.323 nan 8.230 nan 0.000 0.429 79 V N 4.320 124.004 119.914 -0.384 0.000 2.350 79 V HA 0.390 4.510 4.120 -0.000 0.000 0.276 79 V C -0.197 175.690 176.094 -0.345 0.000 1.028 79 V CA -0.245 61.887 62.300 -0.279 0.000 0.860 79 V CB 0.844 32.532 31.823 -0.225 0.000 0.990 79 V HN 0.391 nan 8.190 nan 0.000 0.453 80 F N 2.080 122.024 119.950 -0.009 0.000 2.575 80 F HA 0.502 5.029 4.527 0.000 0.000 0.330 80 F C 0.771 176.598 175.800 0.046 0.000 1.056 80 F CA -1.105 56.906 58.000 0.018 0.000 0.964 80 F CB 1.315 40.330 39.000 0.024 0.000 1.258 80 F HN 0.613 nan 8.300 nan 0.000 0.484 81 E N 0.755 121.117 120.200 0.271 0.000 2.418 81 E HA 0.088 4.438 4.350 -0.000 0.000 0.261 81 E C -1.165 175.548 176.600 0.188 0.000 1.070 81 E CA -0.363 56.144 56.400 0.179 0.000 0.931 81 E CB 0.752 30.520 29.700 0.113 0.000 0.954 81 E HN 0.509 nan 8.360 nan 0.000 0.439 82 F N 2.755 122.716 119.950 0.019 0.000 2.404 82 F HA 0.405 4.932 4.527 -0.000 0.000 0.345 82 F C -1.172 174.563 175.800 -0.108 0.000 1.110 82 F CA -0.733 57.244 58.000 -0.039 0.000 1.130 82 F CB 0.584 39.546 39.000 -0.063 0.000 1.129 82 F HN 0.340 nan 8.300 nan 0.000 0.500 83 L N 6.689 127.292 121.223 -1.033 0.000 2.365 83 L HA 0.317 4.657 4.340 -0.000 0.000 0.273 83 L C 0.540 176.679 176.870 -1.219 0.000 1.000 83 L CA -0.713 53.602 54.840 -0.874 0.000 0.819 83 L CB 1.916 43.723 42.059 -0.419 0.000 1.284 83 L HN 0.749 nan 8.230 nan 0.000 0.418 84 H N 0.423 119.048 119.070 -0.742 0.000 2.387 84 H HA -0.043 4.513 4.556 0.000 0.000 0.299 84 H C 0.405 175.599 175.328 -0.224 0.000 1.090 84 H CA 1.333 57.127 56.048 -0.422 0.000 1.332 84 H CB 0.378 30.049 29.762 -0.152 0.000 1.386 84 H HN 0.517 nan 8.280 nan 0.000 0.516 85 Q N 0.247 119.986 119.800 -0.102 0.000 2.687 85 Q HA 0.147 4.487 4.340 -0.000 0.000 0.295 85 Q C -1.817 174.119 176.000 -0.107 0.000 0.920 85 Q CA -0.888 54.876 55.803 -0.065 0.000 0.766 85 Q CB 1.704 30.440 28.738 -0.003 0.000 1.467 85 Q HN 0.257 nan 8.270 nan 0.000 0.415 86 D N 0.303 120.660 120.400 -0.072 0.000 2.385 86 D HA 0.241 4.881 4.640 -0.000 0.000 0.254 86 D C 0.640 176.920 176.300 -0.033 0.000 1.053 86 D CA -0.741 53.204 54.000 -0.091 0.000 0.992 86 D CB 0.904 41.649 40.800 -0.092 0.000 1.145 86 D HN 0.462 nan 8.370 nan 0.000 0.523 87 L N 0.226 121.413 121.223 -0.061 0.000 2.131 87 L HA -0.067 4.273 4.340 -0.000 0.000 0.210 87 L C 1.956 178.885 176.870 0.098 0.000 1.092 87 L CA 1.816 56.676 54.840 0.033 0.000 0.759 87 L CB -0.826 41.206 42.059 -0.045 0.000 0.903 87 L HN 0.555 nan 8.230 nan 0.000 0.435 88 K N 0.239 120.657 120.400 0.029 0.000 2.026 88 K HA -0.243 4.077 4.320 -0.000 0.000 0.208 88 K C 2.225 178.857 176.600 0.054 0.000 1.048 88 K CA 1.949 58.258 56.287 0.037 0.000 0.929 88 K CB -0.322 32.179 32.500 0.002 0.000 0.713 88 K HN 0.196 nan 8.250 nan 0.000 0.439 89 K N -0.682 119.750 120.400 0.054 0.000 2.057 89 K HA -0.080 4.240 4.320 -0.000 0.000 0.207 89 K C 1.974 178.646 176.600 0.119 0.000 1.049 89 K CA 1.358 57.682 56.287 0.062 0.000 0.931 89 K CB -0.547 31.982 32.500 0.048 0.000 0.714 89 K HN 0.186 nan 8.250 nan 0.000 0.440 90 F N 0.793 120.743 119.950 -0.000 0.000 2.134 90 F HA -0.106 4.421 4.527 0.000 0.000 0.299 90 F C 1.826 177.650 175.800 0.040 0.000 1.097 90 F CA 1.561 59.575 58.000 0.024 0.000 1.264 90 F CB -0.190 38.842 39.000 0.053 0.000 1.001 90 F HN 0.011 nan 8.300 nan 0.000 0.479 91 M N -0.234 119.351 119.600 -0.025 0.000 2.132 91 M HA -0.204 4.276 4.480 -0.000 0.000 0.263 91 M C 1.765 177.996 176.300 -0.115 0.000 1.065 91 M CA 1.738 56.964 55.300 -0.124 0.000 1.122 91 M CB -0.622 31.982 32.600 0.006 0.000 1.365 91 M HN 0.018 nan 8.290 nan 0.000 0.411 92 D N 0.705 121.078 120.400 -0.045 0.000 2.117 92 D HA -0.102 4.538 4.640 -0.000 0.000 0.197 92 D C 1.834 178.098 176.300 -0.061 0.000 0.987 92 D CA 1.567 55.546 54.000 -0.034 0.000 0.829 92 D CB -0.174 40.624 40.800 -0.003 0.000 0.961 92 D HN 0.335 nan 8.370 nan 0.000 0.460 93 A N -0.111 122.664 122.820 -0.076 0.000 2.168 93 A HA -0.006 4.314 4.320 -0.000 0.000 0.215 93 A C 1.890 179.389 177.584 -0.141 0.000 1.152 93 A CA 0.912 52.902 52.037 -0.077 0.000 0.716 93 A CB 0.121 19.103 19.000 -0.030 0.000 0.794 93 A HN 0.105 nan 8.150 nan 0.000 0.465 94 S N -1.070 114.488 115.700 -0.236 0.000 2.650 94 S HA 0.417 4.887 4.470 -0.000 0.000 0.240 94 S C 1.644 176.148 174.600 -0.159 0.000 1.007 94 S CA 0.241 58.289 58.200 -0.254 0.000 0.984 94 S CB 0.530 63.433 63.200 -0.495 0.000 0.910 94 S HN 0.678 nan 8.310 nan 0.000 0.509 95 A N 1.853 124.605 122.820 -0.113 0.000 1.940 95 A HA 0.016 4.336 4.320 -0.000 0.000 0.219 95 A C 1.742 179.289 177.584 -0.061 0.000 1.176 95 A CA 1.192 53.183 52.037 -0.076 0.000 0.631 95 A CB -0.573 18.395 19.000 -0.052 0.000 0.814 95 A HN 0.510 nan 8.150 nan 0.000 0.446 96 L N -1.354 119.837 121.223 -0.054 0.000 2.554 96 L HA 0.010 4.350 4.340 -0.000 0.000 0.226 96 L C 2.289 179.134 176.870 -0.041 0.000 1.137 96 L CA 1.333 56.148 54.840 -0.041 0.000 0.863 96 L CB -0.136 41.905 42.059 -0.031 0.000 0.985 96 L HN 0.537 nan 8.230 nan 0.000 0.451 97 T N -1.599 112.924 114.554 -0.051 0.000 3.010 97 T HA 0.352 4.702 4.350 -0.000 0.000 0.252 97 T C 0.698 175.367 174.700 -0.052 0.000 0.963 97 T CA 0.561 62.634 62.100 -0.045 0.000 0.952 97 T CB 0.396 69.240 68.868 -0.039 0.000 1.182 97 T HN 0.406 nan 8.240 nan 0.000 0.495 98 G N 1.513 110.268 108.800 -0.074 0.000 2.721 98 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.686 98 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.686 98 G C -0.596 174.256 174.900 -0.080 0.000 1.236 98 G CA -0.464 44.593 45.100 -0.072 0.000 0.786 98 G HN 0.605 nan 8.290 nan 0.000 0.616 99 I N 2.993 123.514 120.570 -0.081 0.000 2.556 99 I HA 0.163 4.333 4.170 -0.000 0.000 0.284 99 I C -1.391 174.732 176.117 0.010 0.000 1.114 99 I CA -1.422 59.849 61.300 -0.049 0.000 1.418 99 I CB 0.805 38.825 38.000 0.034 0.000 1.394 99 I HN 0.272 nan 8.210 nan 0.000 0.552 100 P HA -0.050 nan 4.420 nan 0.000 0.267 100 P C 0.529 177.841 177.300 0.021 0.000 1.200 100 P CA -0.337 62.771 63.100 0.014 0.000 0.772 100 P CB 0.628 32.334 31.700 0.010 0.000 0.855 101 L N 6.282 127.521 121.223 0.025 0.000 2.043 101 L HA -0.105 4.235 4.340 -0.000 0.000 0.212 101 L C -0.960 175.910 176.870 0.000 0.000 1.075 101 L CA 2.532 57.399 54.840 0.046 0.000 0.752 101 L CB -2.045 40.041 42.059 0.044 0.000 0.891 101 L HN 0.404 nan 8.230 nan 0.000 0.432 102 P HA -0.179 nan 4.420 nan 0.000 0.218 102 P C 2.197 179.441 177.300 -0.093 0.000 1.148 102 P CA 1.363 64.419 63.100 -0.073 0.000 0.822 102 P CB -0.017 31.642 31.700 -0.069 0.000 0.784 103 L N -1.245 119.911 121.223 -0.111 0.000 2.072 103 L HA -0.095 4.245 4.340 -0.000 0.000 0.205 103 L C 2.276 178.993 176.870 -0.256 0.000 1.079 103 L CA 1.281 55.959 54.840 -0.270 0.000 0.752 103 L CB -0.537 41.377 42.059 -0.241 0.000 0.906 103 L HN -0.076 nan 8.230 nan 0.000 0.436 104 I N 0.002 120.554 120.570 -0.029 0.000 2.163 104 I HA -0.390 3.780 4.170 -0.000 0.000 0.243 104 I C 2.593 178.814 176.117 0.173 0.000 1.085 104 I CA 1.498 62.879 61.300 0.134 0.000 1.347 104 I CB -0.301 37.837 38.000 0.231 0.000 1.044 104 I HN 0.267 nan 8.210 nan 0.000 0.408 105 K N 0.401 120.875 120.400 0.124 0.000 2.057 105 K HA -0.204 4.116 4.320 -0.000 0.000 0.207 105 K C 2.380 179.108 176.600 0.214 0.000 1.049 105 K CA 1.730 58.116 56.287 0.165 0.000 0.931 105 K CB -0.092 32.346 32.500 -0.103 0.000 0.714 105 K HN 0.125 nan 8.250 nan 0.000 0.440 106 S N -0.530 115.210 115.700 0.067 0.000 2.356 106 S HA -0.151 4.319 4.470 -0.000 0.000 0.223 106 S C 1.891 176.636 174.600 0.243 0.000 1.032 106 S CA 1.021 59.273 58.200 0.088 0.000 1.005 106 S CB -0.354 62.823 63.200 -0.039 0.000 0.867 106 S HN 0.368 nan 8.310 nan 0.000 0.449 107 Y N 1.148 121.507 120.300 0.099 0.000 2.181 107 Y HA 0.019 4.569 4.550 -0.000 0.000 0.288 107 Y C 2.283 178.218 175.900 0.058 0.000 1.146 107 Y CA 0.523 58.661 58.100 0.064 0.000 1.164 107 Y CB -1.246 37.255 38.460 0.069 0.000 0.982 107 Y HN 0.303 nan 8.280 nan 0.000 0.515 108 L N -0.959 120.428 121.223 0.273 0.000 2.056 108 L HA -0.186 4.154 4.340 -0.000 0.000 0.207 108 L C 2.248 179.165 176.870 0.077 0.000 1.078 108 L CA 1.450 56.388 54.840 0.163 0.000 0.749 108 L CB -1.099 41.042 42.059 0.138 0.000 0.901 108 L HN 0.110 nan 8.230 nan 0.000 0.433 109 F N 0.308 120.178 119.950 -0.133 0.000 2.095 109 F HA -0.274 4.253 4.527 -0.000 0.000 0.298 109 F C 2.515 178.168 175.800 -0.245 0.000 1.104 109 F CA 2.093 59.783 58.000 -0.516 0.000 1.232 109 F CB -0.390 38.310 39.000 -0.501 0.000 0.987 109 F HN 0.222 nan 8.300 nan 0.000 0.475 110 Q N 0.014 119.814 119.800 0.000 0.000 2.084 110 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 110 Q C 2.347 178.281 176.000 -0.111 0.000 0.978 110 Q CA 1.936 57.710 55.803 -0.049 0.000 0.844 110 Q CB -0.394 28.386 28.738 0.070 0.000 0.898 110 Q HN 0.469 nan 8.270 nan 0.000 0.426 111 L N 0.243 121.413 121.223 -0.088 0.000 2.131 111 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 111 L C 2.247 179.021 176.870 -0.159 0.000 1.092 111 L CA 0.793 55.563 54.840 -0.117 0.000 0.759 111 L CB -0.330 41.672 42.059 -0.096 0.000 0.903 111 L HN 0.248 nan 8.230 nan 0.000 0.435 112 L N -0.894 120.209 121.223 -0.200 0.000 2.093 112 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 112 L C 2.692 179.402 176.870 -0.267 0.000 1.085 112 L CA 1.135 55.842 54.840 -0.223 0.000 0.755 112 L CB -0.397 41.506 42.059 -0.259 0.000 0.904 112 L HN 0.323 nan 8.230 nan 0.000 0.435 113 Q N -0.379 119.216 119.800 -0.341 0.000 2.084 113 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 113 Q C 2.313 178.175 176.000 -0.229 0.000 0.978 113 Q CA 1.503 57.152 55.803 -0.256 0.000 0.844 113 Q CB -0.406 28.202 28.738 -0.216 0.000 0.898 113 Q HN 0.609 nan 8.270 nan 0.000 0.426 114 G N 0.905 109.561 108.800 -0.241 0.000 2.421 114 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 114 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 114 G C 1.405 176.163 174.900 -0.235 0.000 1.171 114 G CA 0.498 45.394 45.100 -0.340 0.000 0.775 114 G HN 0.165 nan 8.290 nan 0.000 0.543 115 L N 0.608 121.690 121.223 -0.234 0.000 2.093 115 L HA -0.015 4.325 4.340 -0.000 0.000 0.208 115 L C 3.406 180.004 176.870 -0.453 0.000 1.085 115 L CA 0.863 55.470 54.840 -0.389 0.000 0.755 115 L CB -0.373 41.460 42.059 -0.377 0.000 0.904 115 L HN 0.311 nan 8.230 nan 0.000 0.435 116 A N -0.123 122.567 122.820 -0.215 0.000 1.902 116 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 116 A C 2.160 179.757 177.584 0.022 0.000 1.181 116 A CA 1.531 53.530 52.037 -0.064 0.000 0.623 116 A CB -0.802 18.186 19.000 -0.021 0.000 0.818 116 A HN 0.372 nan 8.150 nan 0.000 0.443 117 F N 0.411 120.262 119.950 -0.165 0.000 2.102 117 F HA -0.232 4.295 4.527 -0.000 0.000 0.298 117 F C 2.559 178.363 175.800 0.006 0.000 1.105 117 F CA 1.591 59.531 58.000 -0.100 0.000 1.239 117 F CB -0.682 38.075 39.000 -0.404 0.000 0.991 117 F HN 0.318 nan 8.300 nan 0.000 0.474 118 C N -0.021 119.284 119.300 0.008 0.000 2.413 118 C HA -0.230 4.230 4.460 -0.000 0.000 0.277 118 C C 2.686 177.771 174.990 0.158 0.000 1.228 118 C CA 1.646 60.697 59.018 0.055 0.000 1.731 118 C CB -1.755 26.080 27.740 0.158 0.000 2.042 118 C HN 0.547 nan 8.230 nan 0.000 0.468 119 H N 0.833 119.952 119.070 0.083 0.000 2.387 119 H HA -0.137 4.419 4.556 -0.000 0.000 0.299 119 H C 2.409 177.753 175.328 0.027 0.000 1.099 119 H CA 1.508 57.599 56.048 0.072 0.000 1.315 119 H CB -0.110 29.698 29.762 0.076 0.000 1.380 119 H HN 0.615 nan 8.280 nan 0.000 0.513 120 S N 0.234 116.009 115.700 0.126 0.000 2.481 120 S HA -0.122 4.348 4.470 -0.000 0.000 0.231 120 S C 1.083 175.575 174.600 -0.180 0.000 0.996 120 S CA 0.864 59.053 58.200 -0.019 0.000 0.942 120 S CB -0.149 63.021 63.200 -0.049 0.000 0.768 120 S HN 0.498 nan 8.310 nan 0.000 0.520 121 H N 1.342 120.311 119.070 -0.169 0.000 2.520 121 H HA 0.460 5.016 4.556 -0.000 0.000 0.284 121 H C 0.337 175.621 175.328 -0.073 0.000 1.037 121 H CA -0.243 55.701 56.048 -0.174 0.000 1.168 121 H CB 0.070 29.649 29.762 -0.305 0.000 1.497 121 H HN 0.303 nan 8.280 nan 0.000 0.547 122 R N -0.956 119.579 120.500 0.058 0.000 3.776 122 R HA -0.114 4.226 4.340 -0.000 0.000 0.312 122 R C -0.985 175.383 176.300 0.113 0.000 1.181 122 R CA 0.430 56.569 56.100 0.064 0.000 0.836 122 R CB -2.385 27.924 30.300 0.015 0.000 1.324 122 R HN 0.050 nan 8.270 nan 0.000 0.501 123 V N 1.744 121.759 119.914 0.168 0.000 2.459 123 V HA 0.484 4.604 4.120 -0.000 0.000 0.295 123 V C 0.106 176.419 176.094 0.364 0.000 1.029 123 V CA -0.689 61.736 62.300 0.209 0.000 0.874 123 V CB 1.803 33.704 31.823 0.131 0.000 0.985 123 V HN 0.036 nan 8.190 nan 0.000 0.438 124 L N 2.602 124.060 121.223 0.391 0.000 2.319 124 L HA 0.533 4.873 4.340 -0.000 0.000 0.267 124 L C 0.853 178.025 176.870 0.503 0.000 1.011 124 L CA -0.227 54.891 54.840 0.465 0.000 0.818 124 L CB 1.404 43.688 42.059 0.376 0.000 1.316 124 L HN 0.720 nan 8.230 nan 0.000 0.432 125 H N 0.833 120.109 119.070 0.343 0.000 2.344 125 H HA 0.141 4.697 4.556 -0.000 0.000 0.307 125 H C 0.719 176.130 175.328 0.138 0.000 1.057 125 H CA 1.633 57.777 56.048 0.160 0.000 1.373 125 H CB 0.322 29.970 29.762 -0.189 0.000 1.421 125 H HN 0.538 nan 8.280 nan 0.000 0.532 126 R N -1.564 119.113 120.500 0.294 0.000 3.746 126 R HA -0.192 4.148 4.340 -0.000 0.000 0.465 126 R C -0.462 175.931 176.300 0.155 0.000 0.725 126 R CA 1.334 57.528 56.100 0.157 0.000 1.545 126 R CB -1.736 28.617 30.300 0.089 0.000 2.197 126 R HN 0.454 nan 8.270 nan 0.000 0.438 127 D N 0.490 121.097 120.400 0.345 0.000 2.952 127 D HA 0.266 4.906 4.640 -0.000 0.000 0.373 127 D C -0.594 175.793 176.300 0.144 0.000 1.360 127 D CA -0.214 53.915 54.000 0.216 0.000 0.788 127 D CB 0.359 41.221 40.800 0.104 0.000 1.192 127 D HN 0.105 nan 8.370 nan 0.000 0.462 128 L N 1.924 123.123 121.223 -0.040 0.000 2.455 128 L HA 0.245 4.585 4.340 -0.000 0.000 0.272 128 L C 0.552 177.188 176.870 -0.390 0.000 1.174 128 L CA 0.550 55.152 54.840 -0.396 0.000 0.869 128 L CB 0.330 42.185 42.059 -0.341 0.000 1.130 128 L HN 0.171 nan 8.230 nan 0.000 0.474 129 K N 2.288 122.380 120.400 -0.514 0.000 2.597 129 K HA 0.382 4.702 4.320 -0.000 0.000 0.282 129 K C -2.883 173.431 176.600 -0.477 0.000 0.975 129 K CA -1.583 54.219 56.287 -0.808 0.000 0.867 129 K CB 1.455 33.612 32.500 -0.571 0.000 1.465 129 K HN -0.068 nan 8.250 nan 0.000 0.417 130 P HA -0.234 nan 4.420 nan 0.000 0.216 130 P C 1.321 178.535 177.300 -0.143 0.000 1.150 130 P CA 1.356 64.349 63.100 -0.178 0.000 0.843 130 P CB 0.192 31.860 31.700 -0.053 0.000 0.787 131 Q N 0.031 119.751 119.800 -0.132 0.000 2.226 131 Q HA -0.154 4.186 4.340 -0.000 0.000 0.204 131 Q C 1.168 177.097 176.000 -0.117 0.000 0.975 131 Q CA 1.277 57.019 55.803 -0.102 0.000 0.866 131 Q CB -0.359 28.335 28.738 -0.073 0.000 0.915 131 Q HN 0.331 nan 8.270 nan 0.000 0.440 132 N N -0.277 118.335 118.700 -0.147 0.000 2.276 132 N HA 0.055 4.795 4.740 -0.000 0.000 0.212 132 N C -0.571 174.834 175.510 -0.174 0.000 1.127 132 N CA -0.002 52.969 53.050 -0.133 0.000 0.834 132 N CB 0.281 38.718 38.487 -0.083 0.000 1.014 132 N HN 0.156 nan 8.380 nan 0.000 0.491 133 L N 1.343 122.451 121.223 -0.192 0.000 2.305 133 L HA 0.502 4.842 4.340 -0.000 0.000 0.284 133 L C -0.341 176.403 176.870 -0.210 0.000 1.013 133 L CA -0.776 53.934 54.840 -0.216 0.000 0.819 133 L CB 1.859 43.774 42.059 -0.241 0.000 1.227 133 L HN -0.116 nan 8.230 nan 0.000 0.417 134 L N 5.208 126.305 121.223 -0.211 0.000 2.307 134 L HA 0.624 4.964 4.340 -0.000 0.000 0.282 134 L C -0.108 176.610 176.870 -0.254 0.000 1.051 134 L CA -0.645 54.065 54.840 -0.217 0.000 0.804 134 L CB 1.594 43.533 42.059 -0.201 0.000 1.197 134 L HN 0.551 nan 8.230 nan 0.000 0.431 135 I N -0.025 120.389 120.570 -0.259 0.000 2.569 135 I HA 0.613 4.783 4.170 -0.000 0.000 0.296 135 I C -0.894 175.117 176.117 -0.177 0.000 1.028 135 I CA -0.736 60.401 61.300 -0.271 0.000 1.082 135 I CB 2.042 39.818 38.000 -0.374 0.000 1.264 135 I HN 0.611 nan 8.210 nan 0.000 0.429 136 N N 1.744 120.375 118.700 -0.116 0.000 2.525 136 N HA 0.338 5.078 4.740 -0.000 0.000 0.288 136 N C 0.640 176.145 175.510 -0.009 0.000 1.242 136 N CA -0.251 52.774 53.050 -0.042 0.000 0.905 136 N CB 0.923 39.389 38.487 -0.036 0.000 1.258 136 N HN 0.745 nan 8.380 nan 0.000 0.551 137 T N -3.678 110.906 114.554 0.050 0.000 3.007 137 T HA -0.080 4.270 4.350 -0.000 0.000 0.270 137 T C 1.105 175.814 174.700 0.014 0.000 1.107 137 T CA 1.154 63.262 62.100 0.013 0.000 1.118 137 T CB -0.246 68.637 68.868 0.025 0.000 0.889 137 T HN 0.586 nan 8.240 nan 0.000 0.506 138 E N 1.218 121.431 120.200 0.022 0.000 2.427 138 E HA 0.251 4.601 4.350 -0.000 0.000 0.196 138 E C 1.639 178.253 176.600 0.022 0.000 1.028 138 E CA 0.777 57.188 56.400 0.020 0.000 0.864 138 E CB -0.613 29.098 29.700 0.018 0.000 0.813 138 E HN 0.691 nan 8.360 nan 0.000 0.514 139 G N -1.221 107.598 108.800 0.032 0.000 2.179 139 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.220 139 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.220 139 G C 0.317 175.302 174.900 0.142 0.000 0.990 139 G CA 0.048 45.193 45.100 0.076 0.000 0.646 139 G HN 0.525 nan 8.290 nan 0.000 0.517 140 A N -0.392 122.468 122.820 0.067 0.000 2.271 140 A HA 0.873 5.193 4.320 -0.000 0.000 0.288 140 A C -0.009 177.549 177.584 -0.042 0.000 1.094 140 A CA 0.074 52.135 52.037 0.041 0.000 0.828 140 A CB 1.041 20.038 19.000 -0.005 0.000 1.091 140 A HN 1.406 nan 8.150 nan 0.000 0.493 141 I N -0.202 120.309 120.570 -0.098 0.000 2.647 141 I HA 0.542 4.712 4.170 -0.000 0.000 0.295 141 I C -1.029 174.994 176.117 -0.157 0.000 1.078 141 I CA -0.595 60.544 61.300 -0.269 0.000 1.048 141 I CB 1.834 39.508 38.000 -0.544 0.000 1.239 141 I HN 0.706 nan 8.210 nan 0.000 0.421 142 K N 7.135 127.436 120.400 -0.164 0.000 2.469 142 K HA 0.527 4.847 4.320 -0.000 0.000 0.254 142 K C -1.460 175.078 176.600 -0.104 0.000 0.939 142 K CA -0.853 55.378 56.287 -0.092 0.000 0.812 142 K CB 2.564 35.031 32.500 -0.056 0.000 1.301 142 K HN 0.490 nan 8.250 nan 0.000 0.433 143 L N 1.992 123.185 121.223 -0.049 0.000 2.416 143 L HA 0.472 4.812 4.340 -0.000 0.000 0.272 143 L C 0.091 176.979 176.870 0.029 0.000 1.161 143 L CA 0.061 54.850 54.840 -0.084 0.000 0.845 143 L CB 0.835 42.870 42.059 -0.040 0.000 1.119 143 L HN 0.823 nan 8.230 nan 0.000 0.464 144 A N 1.709 124.506 122.820 -0.038 0.000 2.599 144 A HA 0.516 4.836 4.320 -0.000 0.000 0.290 144 A C -0.474 177.150 177.584 0.067 0.000 1.101 144 A CA -0.380 51.686 52.037 0.049 0.000 0.674 144 A CB 1.269 20.212 19.000 -0.096 0.000 1.277 144 A HN 0.697 nan 8.150 nan 0.000 0.419 145 D N -0.931 119.536 120.400 0.112 0.000 2.718 145 D HA -0.147 4.493 4.640 -0.000 0.000 0.242 145 D C -0.633 175.639 176.300 -0.046 0.000 1.123 145 D CA 0.919 54.973 54.000 0.090 0.000 0.690 145 D CB -1.751 39.053 40.800 0.008 0.000 1.059 145 D HN 0.490 nan 8.370 nan 0.000 0.429 146 F N -0.402 119.417 119.950 -0.219 0.000 2.553 146 F HA 0.315 4.842 4.527 0.000 0.000 0.356 146 F C 2.176 177.819 175.800 -0.262 0.000 1.142 146 F CA 0.737 58.381 58.000 -0.595 0.000 1.322 146 F CB 0.788 39.631 39.000 -0.262 0.000 1.126 146 F HN 0.185 nan 8.300 nan 0.000 0.599 147 G N 3.307 112.027 108.800 -0.133 0.000 3.414 147 G HA2 0.116 4.076 3.960 -0.000 0.000 0.258 147 G HA3 0.116 4.076 3.960 -0.000 0.000 0.258 147 G C 1.080 176.036 174.900 0.093 0.000 1.348 147 G CA -0.200 44.894 45.100 -0.010 0.000 1.319 147 G HN 0.557 nan 8.290 nan 0.000 0.555 148 L N 1.110 122.457 121.223 0.205 0.000 2.027 148 L HA 0.086 4.426 4.340 -0.000 0.000 0.206 148 L C 2.995 180.037 176.870 0.287 0.000 1.074 148 L CA 2.127 57.158 54.840 0.318 0.000 0.745 148 L CB -0.534 41.699 42.059 0.290 0.000 0.898 148 L HN 0.292 nan 8.230 nan 0.000 0.433 149 A N -0.646 122.315 122.820 0.236 0.000 1.873 149 A HA -0.296 4.024 4.320 -0.000 0.000 0.218 149 A C 2.462 180.104 177.584 0.097 0.000 1.193 149 A CA 2.167 54.317 52.037 0.189 0.000 0.629 149 A CB -0.592 18.568 19.000 0.267 0.000 0.826 149 A HN 0.383 nan 8.150 nan 0.000 0.447 150 R N -0.495 120.015 120.500 0.017 0.000 2.236 150 R HA 0.204 4.544 4.340 -0.000 0.000 0.208 150 R C 1.845 178.114 176.300 -0.052 0.000 1.036 150 R CA 1.260 57.342 56.100 -0.029 0.000 1.001 150 R CB -0.521 29.732 30.300 -0.079 0.000 0.896 150 R HN 0.427 nan 8.270 nan 0.000 0.464 151 A N -1.281 121.481 122.820 -0.096 0.000 2.081 151 A HA 0.120 4.440 4.320 -0.000 0.000 0.214 151 A C 0.704 177.931 177.584 -0.596 0.000 1.158 151 A CA 0.552 52.385 52.037 -0.340 0.000 0.724 151 A CB 0.001 18.736 19.000 -0.442 0.000 0.826 151 A HN 0.290 nan 8.150 nan 0.000 0.463 152 F N -0.957 119.036 119.950 0.073 0.000 2.775 152 F HA 0.407 4.934 4.527 0.000 0.000 0.313 152 F C 1.460 177.287 175.800 0.044 0.000 1.121 152 F CA -0.118 57.917 58.000 0.059 0.000 1.206 152 F CB 0.357 39.390 39.000 0.055 0.000 1.052 152 F HN 0.239 nan 8.300 nan 0.000 0.524 153 G N 1.173 110.057 108.800 0.139 0.000 2.249 153 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.273 153 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.273 153 G C 0.099 175.060 174.900 0.102 0.000 1.036 153 G CA 0.140 45.301 45.100 0.101 0.000 0.824 153 G HN 0.170 nan 8.290 nan 0.000 0.504 154 V N 2.081 122.068 119.914 0.121 0.000 2.493 154 V HA 0.207 4.327 4.120 -0.000 0.000 0.292 154 V C -0.686 175.447 176.094 0.064 0.000 1.016 154 V CA -0.279 62.076 62.300 0.092 0.000 1.097 154 V CB 0.894 32.777 31.823 0.099 0.000 0.947 154 V HN 0.366 nan 8.190 nan 0.000 0.479 155 P HA 0.199 nan 4.420 nan 0.000 0.256 155 P C -0.707 176.610 177.300 0.028 0.000 1.688 155 P CA 0.448 63.569 63.100 0.035 0.000 1.162 155 P CB 0.694 32.412 31.700 0.029 0.000 1.870 156 V N 3.636 123.573 119.914 0.039 0.000 2.852 156 V HA 0.384 4.504 4.120 -0.000 0.000 0.300 156 V C -0.497 175.632 176.094 0.059 0.000 1.205 156 V CA -1.059 61.265 62.300 0.040 0.000 0.940 156 V CB 2.614 34.455 31.823 0.031 0.000 1.047 156 V HN 0.212 nan 8.190 nan 0.000 0.429 157 R N 3.751 124.281 120.500 0.051 0.000 2.623 157 R HA 0.586 4.926 4.340 -0.000 0.000 0.271 157 R C 0.031 176.359 176.300 0.046 0.000 1.043 157 R CA 1.165 57.293 56.100 0.047 0.000 1.083 157 R CB 0.671 31.000 30.300 0.047 0.000 0.974 157 R HN 1.057 nan 8.270 nan 0.000 0.436 158 T N 0.372 114.902 114.554 -0.039 0.000 2.916 158 T HA 0.672 5.022 4.350 -0.000 0.000 0.292 158 T C -1.066 173.518 174.700 -0.194 0.000 1.064 158 T CA -0.595 61.360 62.100 -0.241 0.000 1.011 158 T CB 0.782 69.322 68.868 -0.547 0.000 1.152 158 T HN 0.501 nan 8.240 nan 0.000 0.510 159 Y N -1.687 118.529 120.300 -0.139 0.000 2.503 159 Y HA -0.018 4.532 4.550 0.000 0.000 0.156 159 Y C 1.289 177.142 175.900 -0.078 0.000 1.697 159 Y CA 0.473 58.481 58.100 -0.154 0.000 1.422 159 Y CB -1.625 36.735 38.460 -0.168 0.000 2.067 159 Y HN 1.192 nan 8.280 nan 0.000 0.255 160 T N -2.907 111.718 114.554 0.119 0.000 3.904 160 T HA -0.007 4.343 4.350 -0.000 0.000 0.301 160 T C 1.031 175.792 174.700 0.102 0.000 0.910 160 T CA 0.870 63.044 62.100 0.122 0.000 1.207 160 T CB -0.626 68.347 68.868 0.175 0.000 1.036 160 T HN 0.910 nan 8.240 nan 0.000 0.462 161 H N 1.836 120.909 119.070 0.004 0.000 2.370 161 H HA 0.424 4.980 4.556 -0.000 0.000 0.304 161 H C 1.150 176.441 175.328 -0.062 0.000 1.055 161 H CA 1.419 57.451 56.048 -0.027 0.000 1.373 161 H CB 0.252 29.993 29.762 -0.035 0.000 1.423 161 H HN 0.780 nan 8.280 nan 0.000 0.533 162 E N -0.402 119.453 120.200 -0.574 0.000 0.408 162 E HA 0.323 4.673 4.350 -0.000 0.000 0.133 162 E C -1.343 174.876 176.600 -0.634 0.000 2.513 162 E CA -0.281 55.836 56.400 -0.471 0.000 1.486 162 E CB 0.757 30.305 29.700 -0.253 0.000 0.497 162 E HN 0.084 nan 8.360 nan 0.000 0.896 163 V N -0.281 119.359 119.914 -0.458 0.000 3.147 163 V HA 0.630 4.750 4.120 -0.000 0.000 0.299 163 V C -1.595 174.303 176.094 -0.327 0.000 1.302 163 V CA 0.167 62.227 62.300 -0.400 0.000 1.015 163 V CB 2.141 33.687 31.823 -0.462 0.000 1.086 163 V HN 0.805 nan 8.190 nan 0.000 0.437 164 V N 3.618 123.333 119.914 -0.331 0.000 5.187 164 V HA 0.127 4.247 4.120 -0.000 0.000 0.822 164 V C 1.139 176.975 176.094 -0.431 0.000 2.387 164 V CA 1.190 63.132 62.300 -0.596 0.000 3.765 164 V CB 0.408 31.735 31.823 -0.827 0.000 0.875 164 V HN 1.029 nan 8.190 nan 0.000 0.615 165 T N 1.069 115.531 114.554 -0.153 0.000 2.962 165 T HA -0.001 4.349 4.350 -0.000 0.000 0.270 165 T C 1.788 176.545 174.700 0.095 0.000 1.088 165 T CA 1.704 63.827 62.100 0.038 0.000 1.127 165 T CB -0.130 68.770 68.868 0.054 0.000 0.883 165 T HN 0.439 nan 8.240 nan 0.000 0.493 166 L N -0.484 120.748 121.223 0.016 0.000 2.127 166 L HA -0.122 4.218 4.340 -0.000 0.000 0.211 166 L C 2.355 179.358 176.870 0.221 0.000 1.089 166 L CA 1.157 56.056 54.840 0.099 0.000 0.757 166 L CB -0.554 41.558 42.059 0.088 0.000 0.899 166 L HN 0.406 nan 8.230 nan 0.000 0.434 167 W N -0.498 120.751 121.300 -0.086 0.000 2.364 167 W HA -0.183 4.477 4.660 -0.000 0.000 0.281 167 W C 1.849 178.127 176.519 -0.402 0.000 1.219 167 W CA 0.519 57.681 57.345 -0.305 0.000 1.220 167 W CB -1.065 28.035 29.460 -0.600 0.000 1.127 167 W HN 0.226 nan 8.180 nan 0.000 0.556 168 Y N -0.890 119.642 120.300 0.387 0.000 2.507 168 Y HA 0.264 4.814 4.550 -0.000 0.000 0.254 168 Y C 1.222 177.348 175.900 0.377 0.000 1.171 168 Y CA -0.742 57.575 58.100 0.362 0.000 1.238 168 Y CB -0.429 38.168 38.460 0.229 0.000 1.148 168 Y HN -0.315 nan 8.280 nan 0.000 0.525 169 R N 1.960 122.656 120.500 0.326 0.000 2.347 169 R HA 0.513 4.853 4.340 -0.000 0.000 0.304 169 R C 0.186 176.435 176.300 -0.085 0.000 1.072 169 R CA -0.196 55.984 56.100 0.133 0.000 0.980 169 R CB 0.421 30.747 30.300 0.044 0.000 0.986 169 R HN 0.227 nan 8.270 nan 0.000 0.448 170 A N 6.594 129.253 122.820 -0.268 0.000 2.483 170 A HA 0.165 4.485 4.320 -0.000 0.000 0.238 170 A C -1.496 175.727 177.584 -0.603 0.000 1.070 170 A CA -1.179 50.373 52.037 -0.809 0.000 0.770 170 A CB 0.161 18.950 19.000 -0.351 0.000 1.008 170 A HN 0.778 nan 8.150 nan 0.000 0.497 171 P HA -0.210 nan 4.420 nan 0.000 0.218 171 P C 0.978 178.363 177.300 0.141 0.000 1.149 171 P CA 1.544 64.516 63.100 -0.212 0.000 0.817 171 P CB 0.082 31.755 31.700 -0.045 0.000 0.785 172 E N 0.541 120.862 120.200 0.202 0.000 2.204 172 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 172 E C 2.138 178.841 176.600 0.171 0.000 0.989 172 E CA 0.893 57.514 56.400 0.369 0.000 0.824 172 E CB -1.105 28.840 29.700 0.408 0.000 0.756 172 E HN 0.320 nan 8.360 nan 0.000 0.477 173 I N 0.957 121.554 120.570 0.046 0.000 2.333 173 I HA -0.190 3.980 4.170 -0.000 0.000 0.246 173 I C 2.586 178.705 176.117 0.003 0.000 1.106 173 I CA 0.664 61.965 61.300 0.001 0.000 1.411 173 I CB -0.198 37.735 38.000 -0.112 0.000 1.082 173 I HN 0.008 nan 8.210 nan 0.000 0.420 174 L N 0.268 121.479 121.223 -0.020 0.000 2.191 174 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 174 L C 2.030 178.917 176.870 0.029 0.000 1.103 174 L CA 1.084 55.907 54.840 -0.027 0.000 0.769 174 L CB -0.311 41.697 42.059 -0.085 0.000 0.908 174 L HN 0.291 nan 8.230 nan 0.000 0.438 175 L N -0.372 120.905 121.223 0.090 0.000 2.611 175 L HA 0.199 4.539 4.340 -0.000 0.000 0.229 175 L C 1.228 178.155 176.870 0.094 0.000 1.137 175 L CA 0.260 55.179 54.840 0.132 0.000 0.901 175 L CB -0.240 41.914 42.059 0.160 0.000 1.098 175 L HN 0.425 nan 8.230 nan 0.000 0.456 176 G N 0.668 109.510 108.800 0.070 0.000 2.176 176 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.252 176 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.252 176 G C 0.492 175.424 174.900 0.055 0.000 1.024 176 G CA 0.049 45.180 45.100 0.052 0.000 0.755 176 G HN 0.507 nan 8.290 nan 0.000 0.507 177 C N -0.835 118.521 119.300 0.093 0.000 2.597 177 C HA 0.411 4.871 4.460 -0.000 0.000 0.412 177 C C 2.006 177.029 174.990 0.056 0.000 1.348 177 C CA 0.307 59.388 59.018 0.106 0.000 1.769 177 C CB 0.290 28.145 27.740 0.192 0.000 2.641 177 C HN 0.592 nan 8.230 nan 0.000 0.612 178 K N 1.602 122.001 120.400 -0.003 0.000 2.026 178 K HA -0.051 4.269 4.320 -0.000 0.000 0.208 178 K C -0.235 176.147 176.600 -0.364 0.000 1.048 178 K CA 1.689 57.866 56.287 -0.183 0.000 0.929 178 K CB -0.113 32.284 32.500 -0.171 0.000 0.713 178 K HN 0.785 nan 8.250 nan 0.000 0.439 179 Y N -0.095 120.224 120.300 0.032 0.000 2.406 179 Y HA 0.220 4.770 4.550 -0.000 0.000 0.340 179 Y C -0.367 175.545 175.900 0.020 0.000 0.975 179 Y CA -1.718 56.350 58.100 -0.052 0.000 1.056 179 Y CB 1.197 39.620 38.460 -0.061 0.000 1.210 179 Y HN -0.003 nan 8.280 nan 0.000 0.448 180 Y N -0.194 120.224 120.300 0.196 0.000 2.565 180 Y HA 0.887 5.437 4.550 0.000 0.000 0.325 180 Y C 0.088 176.064 175.900 0.127 0.000 1.221 180 Y CA -1.257 56.928 58.100 0.141 0.000 1.316 180 Y CB 0.860 39.378 38.460 0.096 0.000 1.404 180 Y HN 0.470 nan 8.280 nan 0.000 0.527 181 S N -1.725 114.168 115.700 0.321 0.000 2.811 181 S HA 0.298 4.768 4.470 -0.000 0.000 0.311 181 S C 0.694 175.389 174.600 0.159 0.000 1.152 181 S CA -0.215 58.082 58.200 0.162 0.000 0.864 181 S CB 0.773 64.032 63.200 0.098 0.000 1.226 181 S HN 0.989 nan 8.310 nan 0.000 0.541 182 T N -1.549 112.992 114.554 -0.021 0.000 2.897 182 T HA -0.049 4.301 4.350 -0.000 0.000 0.271 182 T C 1.912 176.559 174.700 -0.088 0.000 1.084 182 T CA 1.249 63.185 62.100 -0.272 0.000 1.123 182 T CB -1.061 67.399 68.868 -0.680 0.000 0.865 182 T HN 1.020 nan 8.240 nan 0.000 0.496 183 A N 1.852 124.699 122.820 0.044 0.000 2.076 183 A HA 0.047 4.367 4.320 -0.000 0.000 0.220 183 A C 2.674 180.370 177.584 0.187 0.000 1.160 183 A CA 1.602 53.713 52.037 0.124 0.000 0.653 183 A CB -1.100 17.968 19.000 0.114 0.000 0.801 183 A HN 0.829 nan 8.150 nan 0.000 0.455 184 V N -2.220 117.798 119.914 0.174 0.000 2.490 184 V HA -0.203 3.917 4.120 -0.000 0.000 0.250 184 V C 1.641 177.879 176.094 0.240 0.000 1.061 184 V CA 2.343 64.746 62.300 0.172 0.000 1.064 184 V CB -0.753 31.099 31.823 0.049 0.000 0.670 184 V HN 0.389 nan 8.190 nan 0.000 0.461 185 D N 0.590 121.138 120.400 0.246 0.000 2.183 185 D HA -0.009 4.631 4.640 -0.000 0.000 0.203 185 D C 2.178 178.625 176.300 0.245 0.000 0.969 185 D CA 1.232 55.390 54.000 0.264 0.000 0.842 185 D CB -0.027 40.999 40.800 0.377 0.000 0.957 185 D HN 0.426 nan 8.370 nan 0.000 0.484 186 I N 0.364 121.095 120.570 0.268 0.000 2.315 186 I HA -0.191 3.979 4.170 -0.000 0.000 0.248 186 I C 2.358 178.611 176.117 0.227 0.000 1.117 186 I CA 0.613 62.045 61.300 0.220 0.000 1.404 186 I CB -1.037 37.089 38.000 0.209 0.000 1.071 186 I HN 0.263 nan 8.210 nan 0.000 0.419 187 W N 2.381 123.751 121.300 0.117 0.000 2.355 187 W HA -0.207 4.453 4.660 -0.000 0.000 0.309 187 W C 2.495 179.108 176.519 0.156 0.000 1.206 187 W CA 1.808 59.226 57.345 0.122 0.000 1.284 187 W CB -0.408 29.113 29.460 0.102 0.000 1.145 187 W HN 0.087 nan 8.180 nan 0.000 0.502 188 S N 1.421 117.378 115.700 0.428 0.000 2.370 188 S HA -0.242 4.228 4.470 -0.000 0.000 0.226 188 S C 1.726 176.432 174.600 0.178 0.000 1.033 188 S CA 1.621 60.033 58.200 0.353 0.000 1.011 188 S CB -0.913 62.455 63.200 0.280 0.000 0.852 188 S HN 0.242 nan 8.310 nan 0.000 0.457 189 L N 2.094 123.382 121.223 0.108 0.000 2.141 189 L HA 0.083 4.423 4.340 -0.000 0.000 0.209 189 L C 2.228 179.150 176.870 0.088 0.000 1.094 189 L CA 1.670 56.548 54.840 0.063 0.000 0.763 189 L CB -1.301 40.783 42.059 0.042 0.000 0.908 189 L HN 0.307 nan 8.230 nan 0.000 0.437 190 G N -1.378 107.444 108.800 0.037 0.000 2.418 190 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.217 190 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.217 190 G C 1.594 176.445 174.900 -0.082 0.000 1.158 190 G CA 0.985 46.083 45.100 -0.005 0.000 0.771 190 G HN 0.517 nan 8.290 nan 0.000 0.545 191 C N 0.340 119.567 119.300 -0.121 0.000 2.425 191 C HA 0.076 4.536 4.460 -0.000 0.000 0.277 191 C C 2.816 177.843 174.990 0.062 0.000 1.280 191 C CA 0.337 59.299 59.018 -0.094 0.000 1.744 191 C CB -0.917 26.873 27.740 0.083 0.000 1.989 191 C HN 0.470 nan 8.230 nan 0.000 0.491 192 I N 0.024 120.695 120.570 0.170 0.000 2.315 192 I HA -0.160 4.010 4.170 -0.000 0.000 0.248 192 I C 2.458 178.681 176.117 0.176 0.000 1.117 192 I CA 1.264 62.663 61.300 0.165 0.000 1.404 192 I CB -0.553 37.487 38.000 0.067 0.000 1.071 192 I HN 0.244 nan 8.210 nan 0.000 0.419 193 F N 2.456 122.393 119.950 -0.021 0.000 2.069 193 F HA -0.241 4.286 4.527 0.000 0.000 0.298 193 F C 2.484 178.231 175.800 -0.088 0.000 1.113 193 F CA 1.461 59.442 58.000 -0.032 0.000 1.214 193 F CB -0.913 38.048 39.000 -0.065 0.000 0.978 193 F HN 0.028 nan 8.300 nan 0.000 0.474 194 A N -0.166 122.508 122.820 -0.243 0.000 1.933 194 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 194 A C 2.289 179.722 177.584 -0.253 0.000 1.175 194 A CA 1.744 53.523 52.037 -0.431 0.000 0.628 194 A CB -1.020 17.671 19.000 -0.515 0.000 0.814 194 A HN 0.591 nan 8.150 nan 0.000 0.444 195 E N -0.623 119.503 120.200 -0.123 0.000 2.072 195 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 195 E C 2.058 178.650 176.600 -0.013 0.000 0.985 195 E CA 1.249 57.612 56.400 -0.061 0.000 0.801 195 E CB -0.197 29.534 29.700 0.051 0.000 0.750 195 E HN 0.651 nan 8.360 nan 0.000 0.452 196 M N 0.030 119.665 119.600 0.058 0.000 2.159 196 M HA -0.162 4.318 4.480 -0.000 0.000 0.263 196 M C 2.263 178.589 176.300 0.044 0.000 1.063 196 M CA 1.011 56.366 55.300 0.093 0.000 1.110 196 M CB 0.009 32.729 32.600 0.200 0.000 1.374 196 M HN 0.102 nan 8.290 nan 0.000 0.411 197 V N 0.009 119.923 119.914 -0.001 0.000 2.379 197 V HA -0.196 3.924 4.120 -0.000 0.000 0.245 197 V C 2.518 178.556 176.094 -0.093 0.000 1.044 197 V CA 2.272 64.540 62.300 -0.052 0.000 1.036 197 V CB -1.000 30.723 31.823 -0.166 0.000 0.664 197 V HN 0.623 nan 8.190 nan 0.000 0.453 198 T N -3.139 111.333 114.554 -0.137 0.000 3.057 198 T HA 0.055 4.405 4.350 -0.000 0.000 0.254 198 T C 1.105 175.740 174.700 -0.109 0.000 1.094 198 T CA 0.301 62.315 62.100 -0.143 0.000 1.088 198 T CB -0.053 68.694 68.868 -0.202 0.000 0.934 198 T HN 0.415 nan 8.240 nan 0.000 0.497 199 R N -0.179 120.270 120.500 -0.084 0.000 3.774 199 R HA -0.094 4.246 4.340 -0.000 0.000 0.320 199 R C 0.017 176.275 176.300 -0.069 0.000 1.175 199 R CA 0.826 56.888 56.100 -0.063 0.000 0.849 199 R CB -1.926 28.337 30.300 -0.062 0.000 1.365 199 R HN 0.594 nan 8.270 nan 0.000 0.502 200 R N -0.152 120.290 120.500 -0.097 0.000 2.604 200 R HA 0.608 4.948 4.340 -0.000 0.000 0.270 200 R C -1.047 175.154 176.300 -0.166 0.000 1.052 200 R CA -0.027 56.001 56.100 -0.120 0.000 0.902 200 R CB 1.453 31.661 30.300 -0.152 0.000 1.233 200 R HN 0.141 nan 8.270 nan 0.000 0.455 201 A N 3.228 125.942 122.820 -0.176 0.000 2.531 201 A HA 0.033 4.353 4.320 -0.000 0.000 0.236 201 A C 0.861 178.190 177.584 -0.425 0.000 1.062 201 A CA -0.163 51.721 52.037 -0.254 0.000 0.760 201 A CB 0.300 19.058 19.000 -0.404 0.000 0.995 201 A HN 0.733 nan 8.150 nan 0.000 0.501 202 L N 1.706 122.624 121.223 -0.509 0.000 2.044 202 L HA 0.177 4.517 4.340 -0.000 0.000 0.205 202 L C 0.143 176.490 176.870 -0.871 0.000 1.075 202 L CA 1.826 56.187 54.840 -0.799 0.000 0.747 202 L CB -0.258 41.146 42.059 -1.090 0.000 0.903 202 L HN 0.601 nan 8.230 nan 0.000 0.435 203 F N 1.195 120.918 119.950 -0.378 0.000 2.550 203 F HA 0.403 4.930 4.527 -0.000 0.000 0.348 203 F C -2.135 173.291 175.800 -0.624 0.000 1.219 203 F CA -2.896 54.886 58.000 -0.364 0.000 1.203 203 F CB 0.211 39.108 39.000 -0.172 0.000 1.436 203 F HN 0.017 nan 8.300 nan 0.000 0.541 204 P HA 0.161 nan 4.420 nan 0.000 0.231 204 P C 0.596 177.513 177.300 -0.639 0.000 1.811 204 P CA 0.288 62.444 63.100 -1.575 0.000 1.051 204 P CB 0.467 31.266 31.700 -1.502 0.000 1.951 205 G N 2.229 110.892 108.800 -0.227 0.000 2.599 205 G HA2 0.206 4.166 3.960 -0.000 0.000 0.264 205 G HA3 0.206 4.166 3.960 -0.000 0.000 0.264 205 G C 0.346 175.368 174.900 0.203 0.000 1.200 205 G CA -0.411 44.701 45.100 0.021 0.000 0.896 205 G HN 0.335 nan 8.290 nan 0.000 0.536 206 D N -2.802 117.651 120.400 0.087 0.000 2.503 206 D HA 0.202 4.842 4.640 -0.000 0.000 0.218 206 D C 0.587 176.896 176.300 0.015 0.000 1.183 206 D CA 0.338 54.389 54.000 0.084 0.000 0.827 206 D CB 0.350 41.183 40.800 0.056 0.000 1.034 206 D HN 0.547 nan 8.370 nan 0.000 0.510 207 S N -1.657 114.033 115.700 -0.018 0.000 2.595 207 S HA 0.279 4.749 4.470 -0.000 0.000 0.270 207 S C 0.317 174.859 174.600 -0.097 0.000 1.145 207 S CA -0.846 57.318 58.200 -0.060 0.000 0.825 207 S CB 1.327 64.479 63.200 -0.080 0.000 1.107 207 S HN -0.142 nan 8.310 nan 0.000 0.461 208 E N 0.016 120.151 120.200 -0.108 0.000 2.058 208 E HA -0.123 4.227 4.350 -0.000 0.000 0.194 208 E C 1.604 178.057 176.600 -0.244 0.000 0.997 208 E CA 1.537 57.854 56.400 -0.137 0.000 0.801 208 E CB -0.251 29.385 29.700 -0.106 0.000 0.746 208 E HN 0.563 nan 8.360 nan 0.000 0.450 209 I N 1.388 121.778 120.570 -0.299 0.000 2.394 209 I HA -0.212 3.958 4.170 -0.000 0.000 0.251 209 I C 1.811 177.504 176.117 -0.706 0.000 1.136 209 I CA 1.451 62.418 61.300 -0.555 0.000 1.425 209 I CB -0.054 37.629 38.000 -0.528 0.000 1.079 209 I HN -0.008 nan 8.210 nan 0.000 0.425 210 D N -0.724 119.435 120.400 -0.402 0.000 2.144 210 D HA -0.259 4.381 4.640 -0.000 0.000 0.200 210 D C 2.144 178.301 176.300 -0.238 0.000 0.978 210 D CA 1.022 54.858 54.000 -0.272 0.000 0.833 210 D CB -0.018 40.704 40.800 -0.131 0.000 0.961 210 D HN 0.318 nan 8.370 nan 0.000 0.470 211 Q N -0.243 119.425 119.800 -0.221 0.000 2.050 211 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 211 Q C 1.983 177.792 176.000 -0.319 0.000 0.980 211 Q CA 1.070 56.762 55.803 -0.184 0.000 0.840 211 Q CB -0.575 28.100 28.738 -0.105 0.000 0.898 211 Q HN 0.375 nan 8.270 nan 0.000 0.424 212 L N -0.537 120.418 121.223 -0.447 0.000 2.017 212 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 212 L C 1.896 178.291 176.870 -0.792 0.000 1.073 212 L CA 1.654 56.067 54.840 -0.712 0.000 0.745 212 L CB -0.670 40.883 42.059 -0.844 0.000 0.894 212 L HN 0.257 nan 8.230 nan 0.000 0.432 213 F N -0.050 119.486 119.950 -0.689 0.000 2.216 213 F HA -0.115 4.412 4.527 -0.000 0.000 0.300 213 F C 2.638 178.087 175.800 -0.584 0.000 1.085 213 F CA 0.977 58.652 58.000 -0.541 0.000 1.326 213 F CB -1.021 37.846 39.000 -0.222 0.000 1.027 213 F HN 0.130 nan 8.300 nan 0.000 0.497 214 R N 0.005 120.355 120.500 -0.250 0.000 2.092 214 R HA -0.098 4.242 4.340 -0.000 0.000 0.231 214 R C 2.277 178.401 176.300 -0.294 0.000 1.119 214 R CA 1.226 57.187 56.100 -0.232 0.000 0.970 214 R CB -0.410 29.823 30.300 -0.112 0.000 0.864 214 R HN 0.253 nan 8.270 nan 0.000 0.440 215 I N -0.016 120.257 120.570 -0.495 0.000 2.202 215 I HA -0.259 3.911 4.170 -0.000 0.000 0.242 215 I C 1.721 177.847 176.117 0.016 0.000 1.091 215 I CA 1.079 61.998 61.300 -0.634 0.000 1.368 215 I CB -0.225 37.496 38.000 -0.465 0.000 1.058 215 I HN 0.045 nan 8.210 nan 0.000 0.410 216 F N 0.924 120.831 119.950 -0.071 0.000 2.171 216 F HA -0.161 4.366 4.527 -0.000 0.000 0.300 216 F C 2.634 178.389 175.800 -0.076 0.000 1.090 216 F CA 1.179 59.232 58.000 0.089 0.000 1.293 216 F CB -1.230 37.909 39.000 0.231 0.000 1.013 216 F HN 0.058 nan 8.300 nan 0.000 0.486 217 R N -0.269 120.001 120.500 -0.383 0.000 2.152 217 R HA -0.118 4.222 4.340 -0.000 0.000 0.232 217 R C 1.680 177.884 176.300 -0.160 0.000 1.117 217 R CA 1.753 57.441 56.100 -0.687 0.000 0.981 217 R CB -0.136 29.588 30.300 -0.960 0.000 0.870 217 R HN 0.215 nan 8.270 nan 0.000 0.451 218 T N 0.119 114.676 114.554 0.006 0.000 3.004 218 T HA 0.118 4.468 4.350 -0.000 0.000 0.243 218 T C 1.457 176.277 174.700 0.200 0.000 1.020 218 T CA 0.502 62.679 62.100 0.129 0.000 1.145 218 T CB 0.193 69.237 68.868 0.293 0.000 0.876 218 T HN 0.136 nan 8.240 nan 0.000 0.449 219 L N 0.648 122.018 121.223 0.244 0.000 2.607 219 L HA 0.410 4.750 4.340 -0.000 0.000 0.228 219 L C 1.082 178.151 176.870 0.332 0.000 1.123 219 L CA -0.269 54.725 54.840 0.257 0.000 0.890 219 L CB -0.328 41.803 42.059 0.120 0.000 1.103 219 L HN 0.419 nan 8.230 nan 0.000 0.468 220 G N 0.249 109.246 108.800 0.329 0.000 2.719 220 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.686 220 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.686 220 G C -0.300 174.736 174.900 0.225 0.000 1.201 220 G CA -0.882 44.391 45.100 0.287 0.000 0.768 220 G HN -0.067 nan 8.290 nan 0.000 0.629 221 T N 4.918 119.514 114.554 0.070 0.000 2.799 221 T HA 0.483 4.833 4.350 -0.000 0.000 0.296 221 T C -1.303 173.174 174.700 -0.371 0.000 0.947 221 T CA 0.112 61.987 62.100 -0.375 0.000 1.141 221 T CB 1.173 69.903 68.868 -0.230 0.000 0.891 221 T HN 0.643 nan 8.240 nan 0.000 0.533 222 P HA 0.248 nan 4.420 nan 0.000 0.271 222 P C -0.921 176.244 177.300 -0.225 0.000 1.218 222 P CA -0.359 62.462 63.100 -0.465 0.000 0.780 222 P CB 0.805 32.056 31.700 -0.748 0.000 0.901 223 D N 0.113 120.446 120.400 -0.112 0.000 2.687 223 D HA 0.188 4.828 4.640 -0.000 0.000 0.264 223 D C 0.876 177.133 176.300 -0.071 0.000 1.091 223 D CA -0.638 53.304 54.000 -0.097 0.000 1.123 223 D CB 0.228 40.996 40.800 -0.053 0.000 1.407 223 D HN 0.126 nan 8.370 nan 0.000 0.591 224 E N -0.461 119.686 120.200 -0.087 0.000 2.204 224 E HA -0.059 4.291 4.350 -0.000 0.000 0.195 224 E C 2.008 178.621 176.600 0.022 0.000 0.990 224 E CA 0.583 56.949 56.400 -0.056 0.000 0.821 224 E CB -0.116 29.538 29.700 -0.077 0.000 0.750 224 E HN 0.345 nan 8.360 nan 0.000 0.477 225 V N 0.686 120.616 119.914 0.026 0.000 2.307 225 V HA -0.190 3.930 4.120 -0.000 0.000 0.245 225 V C 2.490 178.643 176.094 0.099 0.000 1.045 225 V CA 1.255 63.587 62.300 0.052 0.000 1.024 225 V CB -0.436 31.409 31.823 0.037 0.000 0.651 225 V HN 0.068 nan 8.190 nan 0.000 0.449 226 V N -2.139 117.840 119.914 0.109 0.000 2.453 226 V HA -0.079 4.041 4.120 -0.000 0.000 0.247 226 V C 0.733 176.998 176.094 0.285 0.000 1.048 226 V CA 1.084 63.479 62.300 0.158 0.000 1.049 226 V CB -0.080 31.820 31.823 0.128 0.000 0.672 226 V HN 0.731 nan 8.190 nan 0.000 0.457 227 W N 1.756 123.071 121.300 0.025 0.000 2.451 227 W HA 0.462 5.122 4.660 -0.000 0.000 0.285 227 W C -3.246 173.272 176.519 -0.001 0.000 1.024 227 W CA -3.544 53.830 57.345 0.049 0.000 1.421 227 W CB 0.725 30.192 29.460 0.011 0.000 1.319 227 W HN 0.059 nan 8.180 nan 0.000 0.366 228 P HA 0.213 nan 4.420 nan 0.000 0.261 228 P C 0.851 178.165 177.300 0.024 0.000 1.183 228 P CA 2.584 65.758 63.100 0.123 0.000 0.761 228 P CB 0.780 32.562 31.700 0.136 0.000 0.785 229 G N 1.998 110.720 108.800 -0.130 0.000 2.217 229 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.246 229 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.246 229 G C 1.073 175.697 174.900 -0.460 0.000 0.990 229 G CA 0.170 45.140 45.100 -0.217 0.000 0.627 229 G HN 0.500 nan 8.290 nan 0.000 0.522 230 V N 1.944 121.421 119.914 -0.727 0.000 2.332 230 V HA -0.143 3.977 4.120 -0.000 0.000 0.248 230 V C 3.059 178.620 176.094 -0.888 0.000 1.055 230 V CA 3.997 65.684 62.300 -1.021 0.000 1.038 230 V CB -0.563 30.624 31.823 -1.059 0.000 0.651 230 V HN 1.183 nan 8.190 nan 0.000 0.450 231 T N -3.441 110.569 114.554 -0.907 0.000 3.113 231 T HA -0.030 4.320 4.350 -0.000 0.000 0.263 231 T C 1.470 175.833 174.700 -0.561 0.000 1.143 231 T CA 1.361 62.725 62.100 -1.228 0.000 1.090 231 T CB -0.145 68.264 68.868 -0.765 0.000 0.922 231 T HN 0.462 nan 8.240 nan 0.000 0.521 232 S N 0.304 115.787 115.700 -0.362 0.000 2.559 232 S HA 0.425 4.895 4.470 -0.000 0.000 0.226 232 S C 0.566 175.098 174.600 -0.112 0.000 1.000 232 S CA -0.498 57.600 58.200 -0.170 0.000 0.948 232 S CB -0.147 62.973 63.200 -0.135 0.000 0.870 232 S HN 0.498 nan 8.310 nan 0.000 0.497 233 M N 2.159 121.670 119.600 -0.148 0.000 2.252 233 M HA 0.099 4.579 4.480 -0.000 0.000 0.333 233 M C -1.568 174.743 176.300 0.019 0.000 1.111 233 M CA -1.425 53.834 55.300 -0.068 0.000 1.140 233 M CB -0.099 32.434 32.600 -0.111 0.000 1.538 233 M HN -0.108 nan 8.290 nan 0.000 0.448 234 P HA -0.229 nan 4.420 nan 0.000 0.219 234 P C 0.176 177.500 177.300 0.041 0.000 1.158 234 P CA 1.546 64.660 63.100 0.023 0.000 0.895 234 P CB 0.118 31.827 31.700 0.015 0.000 0.792 235 D N -3.575 116.870 120.400 0.075 0.000 2.368 235 D HA 0.036 4.676 4.640 -0.000 0.000 0.218 235 D C 0.185 176.568 176.300 0.138 0.000 1.112 235 D CA -0.226 53.828 54.000 0.089 0.000 0.834 235 D CB -0.406 40.452 40.800 0.095 0.000 0.953 235 D HN 0.238 nan 8.370 nan 0.000 0.505 236 Y N 2.253 122.562 120.300 0.015 0.000 2.425 236 Y HA 0.137 4.687 4.550 0.000 0.000 0.331 236 Y C -0.056 175.631 175.900 -0.356 0.000 1.157 236 Y CA 0.007 58.081 58.100 -0.043 0.000 1.372 236 Y CB 0.517 38.942 38.460 -0.058 0.000 1.253 236 Y HN -0.373 nan 8.280 nan 0.000 0.536 237 K N 7.608 126.958 120.400 -1.749 0.000 2.426 237 K HA 0.267 4.587 4.320 -0.000 0.000 0.254 237 K C -2.407 173.353 176.600 -1.400 0.000 0.936 237 K CA -2.007 53.515 56.287 -1.274 0.000 0.801 237 K CB 1.663 33.545 32.500 -1.030 0.000 1.139 237 K HN 0.393 nan 8.250 nan 0.000 0.424 238 P HA -0.150 nan 4.420 nan 0.000 0.223 238 P C 0.948 178.092 177.300 -0.259 0.000 1.144 238 P CA 1.118 64.059 63.100 -0.265 0.000 0.783 238 P CB 0.292 31.951 31.700 -0.068 0.000 0.771 239 S N -2.438 113.076 115.700 -0.310 0.000 2.603 239 S HA -0.024 4.446 4.470 -0.000 0.000 0.229 239 S C 0.617 175.193 174.600 -0.040 0.000 0.972 239 S CA -0.069 58.040 58.200 -0.152 0.000 0.935 239 S CB -1.133 62.004 63.200 -0.105 0.000 0.769 239 S HN -0.124 nan 8.310 nan 0.000 0.536 240 F N 3.509 123.386 119.950 -0.121 0.000 2.602 240 F HA 0.360 4.887 4.527 -0.000 0.000 0.367 240 F C -1.839 173.818 175.800 -0.239 0.000 1.126 240 F CA -2.647 55.313 58.000 -0.066 0.000 1.321 240 F CB -0.848 38.195 39.000 0.072 0.000 1.094 240 F HN 0.048 nan 8.300 nan 0.000 0.594 241 P HA 0.047 nan 4.420 nan 0.000 0.270 241 P C -0.512 176.428 177.300 -0.600 0.000 1.223 241 P CA -0.336 62.358 63.100 -0.677 0.000 0.785 241 P CB 0.558 31.434 31.700 -1.374 0.000 0.923 242 K N 2.906 122.985 120.400 -0.536 0.000 2.334 242 K HA 0.225 4.545 4.320 -0.000 0.000 0.265 242 K C -1.289 175.126 176.600 -0.307 0.000 1.039 242 K CA -0.289 55.823 56.287 -0.292 0.000 0.920 242 K CB 0.231 32.632 32.500 -0.166 0.000 1.160 242 K HN 0.484 nan 8.250 nan 0.000 0.451 243 W N 1.848 123.133 121.300 -0.025 0.000 2.570 243 W HA 0.518 5.178 4.660 -0.000 0.000 0.337 243 W C 0.102 176.633 176.519 0.020 0.000 1.067 243 W CA -1.049 56.301 57.345 0.007 0.000 1.229 243 W CB 1.789 31.276 29.460 0.043 0.000 1.355 243 W HN 0.525 nan 8.180 nan 0.000 0.555 244 A N 2.769 125.750 122.820 0.267 0.000 2.293 244 A HA 0.520 4.840 4.320 -0.000 0.000 0.302 244 A C 0.137 177.829 177.584 0.180 0.000 1.119 244 A CA -0.688 51.450 52.037 0.169 0.000 0.823 244 A CB 0.589 19.658 19.000 0.116 0.000 1.097 244 A HN 0.684 nan 8.150 nan 0.000 0.491 245 R N 1.135 121.723 120.500 0.147 0.000 2.590 245 R HA 0.135 4.475 4.340 -0.000 0.000 0.274 245 R C -0.494 175.880 176.300 0.123 0.000 1.061 245 R CA -0.057 56.130 56.100 0.146 0.000 1.081 245 R CB 0.348 30.717 30.300 0.115 0.000 0.984 245 R HN 0.738 nan 8.270 nan 0.000 0.448 246 Q N 2.023 121.907 119.800 0.140 0.000 2.221 246 Q HA 0.173 4.513 4.340 -0.000 0.000 0.242 246 Q C -0.814 175.279 176.000 0.156 0.000 0.940 246 Q CA -0.439 55.436 55.803 0.120 0.000 0.896 246 Q CB 1.217 30.012 28.738 0.094 0.000 1.226 246 Q HN 0.598 nan 8.270 nan 0.000 0.463 247 D N 0.984 121.456 120.400 0.120 0.000 2.350 247 D HA 0.047 4.687 4.640 -0.000 0.000 0.249 247 D C 0.680 177.121 176.300 0.235 0.000 1.119 247 D CA -0.117 53.965 54.000 0.137 0.000 0.886 247 D CB 0.507 41.350 40.800 0.072 0.000 1.195 247 D HN 0.316 nan 8.370 nan 0.000 0.437 248 F N 1.001 120.916 119.950 -0.059 0.000 2.451 248 F HA -0.146 4.381 4.527 -0.000 0.000 0.299 248 F C 2.557 178.302 175.800 -0.092 0.000 1.101 248 F CA 0.484 58.428 58.000 -0.092 0.000 1.436 248 F CB -0.768 38.166 39.000 -0.110 0.000 1.074 248 F HN 0.279 nan 8.300 nan 0.000 0.553 249 S N -0.688 115.074 115.700 0.103 0.000 2.447 249 S HA -0.212 4.258 4.470 -0.000 0.000 0.233 249 S C 1.954 176.542 174.600 -0.019 0.000 1.006 249 S CA 1.253 59.468 58.200 0.025 0.000 0.957 249 S CB -0.324 62.891 63.200 0.024 0.000 0.773 249 S HN 0.460 nan 8.310 nan 0.000 0.507 250 K N 0.711 121.099 120.400 -0.019 0.000 2.244 250 K HA 0.264 4.584 4.320 -0.000 0.000 0.200 250 K C 1.731 178.259 176.600 -0.121 0.000 1.052 250 K CA 0.665 56.920 56.287 -0.053 0.000 0.980 250 K CB -0.030 32.456 32.500 -0.024 0.000 0.838 250 K HN 0.214 nan 8.250 nan 0.000 0.481 251 V N 0.977 120.786 119.914 -0.175 0.000 2.379 251 V HA -0.075 4.045 4.120 -0.000 0.000 0.245 251 V C 0.969 176.819 176.094 -0.407 0.000 1.044 251 V CA 1.349 63.446 62.300 -0.337 0.000 1.036 251 V CB 0.341 31.833 31.823 -0.551 0.000 0.664 251 V HN 0.323 nan 8.190 nan 0.000 0.453 252 V N -3.622 116.053 119.914 -0.398 0.000 2.462 252 V HA 0.437 4.557 4.120 -0.000 0.000 0.257 252 V C -1.973 173.993 176.094 -0.214 0.000 0.944 252 V CA -1.518 60.568 62.300 -0.357 0.000 0.903 252 V CB 0.638 32.163 31.823 -0.496 0.000 1.128 252 V HN 0.169 nan 8.190 nan 0.000 0.486 253 P HA -0.074 nan 4.420 nan 0.000 0.216 253 P C -1.238 176.018 177.300 -0.074 0.000 1.157 253 P CA 2.220 65.263 63.100 -0.095 0.000 0.880 253 P CB -0.881 30.769 31.700 -0.084 0.000 0.791 254 P HA -0.060 nan 4.420 nan 0.000 0.220 254 P C 0.304 177.587 177.300 -0.029 0.000 1.148 254 P CA 0.698 63.769 63.100 -0.049 0.000 0.803 254 P CB -0.190 31.480 31.700 -0.049 0.000 0.782 255 L N 0.886 122.071 121.223 -0.063 0.000 2.426 255 L HA 0.124 4.464 4.340 -0.000 0.000 0.271 255 L C 0.764 177.637 176.870 0.005 0.000 1.169 255 L CA 0.036 54.854 54.840 -0.036 0.000 0.836 255 L CB -0.003 41.964 42.059 -0.153 0.000 1.112 255 L HN 0.006 nan 8.230 nan 0.000 0.465 256 D N 0.647 121.079 120.400 0.054 0.000 2.539 256 D HA 0.127 4.767 4.640 -0.000 0.000 0.280 256 D C 0.796 177.133 176.300 0.062 0.000 1.208 256 D CA -0.395 53.640 54.000 0.059 0.000 1.088 256 D CB 0.217 41.063 40.800 0.077 0.000 1.149 256 D HN 0.465 nan 8.370 nan 0.000 0.596 257 E N -0.754 119.484 120.200 0.064 0.000 2.118 257 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 257 E C 1.127 177.787 176.600 0.099 0.000 0.992 257 E CA 1.583 58.021 56.400 0.063 0.000 0.804 257 E CB -0.183 29.548 29.700 0.052 0.000 0.741 257 E HN 0.400 nan 8.360 nan 0.000 0.458 258 D N -1.086 119.406 120.400 0.154 0.000 2.084 258 D HA -0.066 4.574 4.640 -0.000 0.000 0.196 258 D C 1.865 178.248 176.300 0.137 0.000 0.985 258 D CA 1.478 55.639 54.000 0.268 0.000 0.826 258 D CB -0.790 40.225 40.800 0.358 0.000 0.978 258 D HN 0.347 nan 8.370 nan 0.000 0.456 259 G N 0.692 109.506 108.800 0.024 0.000 2.418 259 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 259 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 259 G C 1.689 176.446 174.900 -0.237 0.000 1.158 259 G CA 0.388 45.239 45.100 -0.414 0.000 0.771 259 G HN 0.217 nan 8.290 nan 0.000 0.545 260 R N 0.280 120.739 120.500 -0.068 0.000 2.090 260 R HA 0.011 4.351 4.340 -0.000 0.000 0.228 260 R C 2.866 179.168 176.300 0.003 0.000 1.110 260 R CA 1.177 57.302 56.100 0.042 0.000 0.973 260 R CB -0.471 29.892 30.300 0.104 0.000 0.869 260 R HN 0.407 nan 8.270 nan 0.000 0.440 261 S N 1.293 116.998 115.700 0.008 0.000 2.356 261 S HA -0.134 4.336 4.470 -0.000 0.000 0.223 261 S C 1.941 176.533 174.600 -0.013 0.000 1.032 261 S CA 1.062 59.294 58.200 0.054 0.000 1.005 261 S CB -0.137 63.197 63.200 0.225 0.000 0.867 261 S HN 0.232 nan 8.310 nan 0.000 0.449 262 L N 1.296 122.356 121.223 -0.271 0.000 2.017 262 L HA 0.100 4.440 4.340 -0.000 0.000 0.208 262 L C 2.194 179.002 176.870 -0.103 0.000 1.073 262 L CA 1.742 56.296 54.840 -0.477 0.000 0.745 262 L CB -0.982 40.558 42.059 -0.864 0.000 0.894 262 L HN 0.448 nan 8.230 nan 0.000 0.432 263 L N -0.406 120.811 121.223 -0.009 0.000 2.042 263 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 263 L C 2.794 179.725 176.870 0.102 0.000 1.076 263 L CA 2.187 57.061 54.840 0.057 0.000 0.749 263 L CB -0.991 41.000 42.059 -0.114 0.000 0.893 263 L HN 0.631 nan 8.230 nan 0.000 0.432 264 S N -1.461 114.289 115.700 0.083 0.000 2.382 264 S HA -0.269 4.201 4.470 -0.000 0.000 0.228 264 S C 1.867 176.479 174.600 0.021 0.000 1.027 264 S CA 1.378 59.547 58.200 -0.053 0.000 0.991 264 S CB -0.665 62.362 63.200 -0.288 0.000 0.823 264 S HN 0.698 nan 8.310 nan 0.000 0.469 265 Q N 0.148 119.979 119.800 0.051 0.000 2.230 265 Q HA 0.182 4.522 4.340 -0.000 0.000 0.202 265 Q C 2.184 178.251 176.000 0.110 0.000 0.963 265 Q CA 1.202 57.068 55.803 0.106 0.000 0.866 265 Q CB -0.278 28.521 28.738 0.101 0.000 0.931 265 Q HN 0.633 nan 8.270 nan 0.000 0.452 266 M N -0.176 119.468 119.600 0.073 0.000 2.419 266 M HA -0.022 4.458 4.480 -0.000 0.000 0.264 266 M C 1.046 177.361 176.300 0.025 0.000 1.082 266 M CA 0.954 56.296 55.300 0.070 0.000 1.119 266 M CB 0.398 33.034 32.600 0.061 0.000 1.398 266 M HN 0.125 nan 8.290 nan 0.000 0.453 267 L N -1.126 120.073 121.223 -0.040 0.000 2.872 267 L HA 0.184 4.524 4.340 -0.000 0.000 0.245 267 L C 0.246 177.146 176.870 0.051 0.000 1.211 267 L CA -0.424 54.289 54.840 -0.210 0.000 1.013 267 L CB -0.674 41.158 42.059 -0.377 0.000 1.326 267 L HN 0.177 nan 8.230 nan 0.000 0.525 268 H N -1.215 117.885 119.070 0.050 0.000 2.928 268 H HA -0.050 4.506 4.556 0.000 0.000 0.338 268 H C 0.770 176.118 175.328 0.034 0.000 1.047 268 H CA 0.420 56.485 56.048 0.028 0.000 1.435 268 H CB 0.709 30.485 29.762 0.023 0.000 1.428 268 H HN 0.039 nan 8.280 nan 0.000 0.590 269 Y N 1.426 121.699 120.300 -0.046 0.000 2.145 269 Y HA -0.189 4.361 4.550 -0.000 0.000 0.286 269 Y C 1.320 176.639 175.900 -0.968 0.000 1.145 269 Y CA 1.730 59.618 58.100 -0.353 0.000 1.148 269 Y CB -0.159 38.157 38.460 -0.240 0.000 0.981 269 Y HN 0.672 nan 8.280 nan 0.000 0.507 270 D N 0.497 120.659 120.400 -0.396 0.000 2.346 270 D HA 0.027 4.667 4.640 -0.000 0.000 0.260 270 D C -1.970 174.193 176.300 -0.228 0.000 1.252 270 D CA -1.911 51.730 54.000 -0.598 0.000 0.895 270 D CB 1.211 41.970 40.800 -0.068 0.000 1.097 270 D HN 0.042 nan 8.370 nan 0.000 0.489 271 P HA -0.103 nan 4.420 nan 0.000 0.218 271 P C 0.513 177.818 177.300 0.009 0.000 1.148 271 P CA 1.171 64.264 63.100 -0.012 0.000 0.822 271 P CB 0.163 31.914 31.700 0.086 0.000 0.784 272 N N -1.106 117.602 118.700 0.013 0.000 2.512 272 N HA -0.055 4.685 4.740 -0.000 0.000 0.183 272 N C 1.291 176.768 175.510 -0.055 0.000 1.073 272 N CA 0.433 53.490 53.050 0.010 0.000 0.911 272 N CB 0.027 38.544 38.487 0.050 0.000 0.964 272 N HN 0.047 nan 8.380 nan 0.000 0.447 273 K N 0.512 120.815 120.400 -0.162 0.000 2.391 273 K HA 0.122 4.442 4.320 -0.000 0.000 0.197 273 K C 0.376 176.767 176.600 -0.349 0.000 1.087 273 K CA -0.117 55.966 56.287 -0.341 0.000 1.012 273 K CB 0.443 32.527 32.500 -0.693 0.000 0.925 273 K HN 0.087 nan 8.250 nan 0.000 0.547 274 R N 1.652 122.044 120.500 -0.179 0.000 2.623 274 R HA 0.091 4.431 4.340 -0.000 0.000 0.271 274 R C 0.162 176.475 176.300 0.021 0.000 1.043 274 R CA -0.028 56.067 56.100 -0.008 0.000 1.083 274 R CB 0.191 30.550 30.300 0.100 0.000 0.974 274 R HN 0.047 nan 8.270 nan 0.000 0.436 275 I N 3.055 123.662 120.570 0.063 0.000 2.813 275 I HA -0.074 4.096 4.170 -0.000 0.000 0.287 275 I C 0.326 176.505 176.117 0.103 0.000 1.196 275 I CA 0.487 61.836 61.300 0.082 0.000 1.421 275 I CB 0.788 38.854 38.000 0.110 0.000 1.365 275 I HN 0.822 nan 8.210 nan 0.000 0.591 276 S N 5.635 121.396 115.700 0.103 0.000 2.669 276 S HA 0.447 4.917 4.470 -0.000 0.000 0.270 276 S C 0.961 175.641 174.600 0.133 0.000 1.225 276 S CA -0.213 58.061 58.200 0.123 0.000 0.991 276 S CB 1.644 64.908 63.200 0.107 0.000 0.987 276 S HN 0.792 nan 8.310 nan 0.000 0.552 277 A N 1.229 124.140 122.820 0.152 0.000 1.902 277 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 277 A C 2.150 179.766 177.584 0.053 0.000 1.181 277 A CA 1.703 53.791 52.037 0.085 0.000 0.623 277 A CB -0.952 18.068 19.000 0.034 0.000 0.818 277 A HN 0.947 nan 8.150 nan 0.000 0.443 278 K N -0.267 120.175 120.400 0.069 0.000 2.063 278 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 278 K C 2.103 178.752 176.600 0.082 0.000 1.048 278 K CA 1.358 57.679 56.287 0.057 0.000 0.928 278 K CB -0.326 32.215 32.500 0.068 0.000 0.713 278 K HN 0.367 nan 8.250 nan 0.000 0.442 279 A N 0.806 123.688 122.820 0.103 0.000 1.969 279 A HA -0.020 4.300 4.320 -0.000 0.000 0.218 279 A C 2.261 179.958 177.584 0.188 0.000 1.169 279 A CA 1.574 53.688 52.037 0.129 0.000 0.635 279 A CB -0.600 18.470 19.000 0.116 0.000 0.810 279 A HN 0.480 nan 8.150 nan 0.000 0.445 280 A N -0.080 122.855 122.820 0.192 0.000 1.972 280 A HA -0.024 4.296 4.320 -0.000 0.000 0.219 280 A C 2.042 179.868 177.584 0.405 0.000 1.169 280 A CA 1.356 53.566 52.037 0.289 0.000 0.635 280 A CB -0.588 18.547 19.000 0.225 0.000 0.810 280 A HN 0.476 nan 8.150 nan 0.000 0.446 281 L N -1.071 120.271 121.223 0.198 0.000 2.265 281 L HA -0.159 4.181 4.340 -0.000 0.000 0.215 281 L C 2.575 179.682 176.870 0.395 0.000 1.117 281 L CA 0.894 55.824 54.840 0.151 0.000 0.782 281 L CB -0.286 41.719 42.059 -0.090 0.000 0.914 281 L HN 0.434 nan 8.230 nan 0.000 0.441 282 A N -2.448 120.568 122.820 0.328 0.000 2.308 282 A HA -0.008 4.312 4.320 -0.000 0.000 0.217 282 A C 0.848 178.612 177.584 0.300 0.000 1.216 282 A CA -0.221 51.983 52.037 0.279 0.000 0.864 282 A CB -0.510 18.594 19.000 0.174 0.000 0.902 282 A HN 0.286 nan 8.150 nan 0.000 0.499 283 H N 1.402 120.673 119.070 0.335 0.000 2.815 283 H HA 0.088 4.644 4.556 -0.000 0.000 0.350 283 H C -1.514 173.937 175.328 0.204 0.000 1.080 283 H CA -0.932 55.262 56.048 0.243 0.000 1.433 283 H CB 1.283 31.182 29.762 0.229 0.000 1.432 283 H HN 0.091 nan 8.280 nan 0.000 0.592 284 P HA -0.190 nan 4.420 nan 0.000 0.223 284 P C 1.504 178.900 177.300 0.160 0.000 1.144 284 P CA 0.787 63.898 63.100 0.017 0.000 0.783 284 P CB -0.207 31.436 31.700 -0.096 0.000 0.771 285 F N 0.541 120.599 119.950 0.181 0.000 2.250 285 F HA -0.117 4.410 4.527 -0.000 0.000 0.301 285 F C 1.360 176.973 175.800 -0.311 0.000 1.077 285 F CA 1.216 59.134 58.000 -0.136 0.000 1.348 285 F CB -0.650 38.101 39.000 -0.415 0.000 1.040 285 F HN -0.256 nan 8.300 nan 0.000 0.509 286 F N 0.263 120.281 119.950 0.114 0.000 2.692 286 F HA 0.155 4.682 4.527 0.000 0.000 0.303 286 F C 1.942 177.641 175.800 -0.169 0.000 1.114 286 F CA -0.132 57.800 58.000 -0.112 0.000 1.361 286 F CB -1.041 37.981 39.000 0.036 0.000 1.063 286 F HN 0.014 nan 8.300 nan 0.000 0.550 287 Q N 0.497 120.301 119.800 0.007 0.000 2.135 287 Q HA -0.190 4.150 4.340 -0.000 0.000 0.204 287 Q C 0.991 176.947 176.000 -0.074 0.000 0.981 287 Q CA 1.670 57.461 55.803 -0.019 0.000 0.856 287 Q CB -0.196 28.532 28.738 -0.017 0.000 0.902 287 Q HN 0.448 nan 8.270 nan 0.000 0.425 288 D N -0.407 119.922 120.400 -0.119 0.000 2.559 288 D HA 0.048 4.688 4.640 -0.000 0.000 0.234 288 D C -0.017 176.184 176.300 -0.164 0.000 1.226 288 D CA -0.264 53.659 54.000 -0.128 0.000 0.830 288 D CB -0.103 40.627 40.800 -0.117 0.000 1.028 288 D HN -0.085 nan 8.370 nan 0.000 0.492 289 V N 1.440 121.229 119.914 -0.208 0.000 2.740 289 V HA 0.375 4.495 4.120 -0.000 0.000 0.303 289 V C 0.457 176.421 176.094 -0.216 0.000 1.054 289 V CA 0.730 62.881 62.300 -0.247 0.000 1.106 289 V CB 0.946 32.505 31.823 -0.440 0.000 0.957 289 V HN 0.610 nan 8.190 nan 0.000 0.486 290 T N 3.082 117.542 114.554 -0.157 0.000 2.693 290 T HA 0.492 4.842 4.350 -0.000 0.000 0.278 290 T C -0.486 174.167 174.700 -0.079 0.000 0.994 290 T CA -0.803 61.231 62.100 -0.109 0.000 1.033 290 T CB 1.543 70.360 68.868 -0.085 0.000 1.342 290 T HN 0.622 nan 8.240 nan 0.000 0.538 291 K N 1.719 122.088 120.400 -0.051 0.000 2.762 291 K HA 0.426 4.746 4.320 -0.000 0.000 0.180 291 K C -2.703 173.877 176.600 -0.034 0.000 1.067 291 K CA -1.671 54.599 56.287 -0.028 0.000 0.973 291 K CB 0.256 32.755 32.500 -0.001 0.000 1.290 291 K HN 0.374 nan 8.250 nan 0.000 0.604 292 P HA -0.048 nan 4.420 nan 0.000 0.269 292 P C -0.813 176.462 177.300 -0.043 0.000 1.209 292 P CA -0.551 62.516 63.100 -0.054 0.000 0.776 292 P CB 0.790 32.444 31.700 -0.076 0.000 0.876 293 V N 0.690 120.593 119.914 -0.018 0.000 2.364 293 V HA 0.455 4.575 4.120 -0.000 0.000 0.272 293 V C -1.881 174.221 176.094 0.014 0.000 1.036 293 V CA -2.079 60.220 62.300 -0.001 0.000 0.880 293 V CB 0.379 32.209 31.823 0.011 0.000 0.991 293 V HN 0.481 nan 8.190 nan 0.000 0.460 294 P HA 0.154 nan 4.420 nan 0.000 0.270 294 P C -1.016 176.353 177.300 0.116 0.000 1.223 294 P CA 0.075 63.190 63.100 0.024 0.000 0.785 294 P CB 0.581 32.152 31.700 -0.214 0.000 0.923 295 H N 1.424 120.568 119.070 0.123 0.000 2.638 295 H HA 0.563 5.119 4.556 -0.000 0.000 0.303 295 H C -1.224 174.202 175.328 0.163 0.000 1.034 295 H CA -0.485 55.628 56.048 0.107 0.000 1.225 295 H CB -0.333 29.488 29.762 0.099 0.000 1.394 295 H HN 0.091 nan 8.280 nan 0.000 0.477 296 L N 4.592 125.669 121.223 -0.243 0.000 2.386 296 L HA 0.532 4.872 4.340 -0.000 0.000 0.271 296 L C -0.042 176.664 176.870 -0.274 0.000 0.993 296 L CA -0.630 54.090 54.840 -0.200 0.000 0.819 296 L CB 1.972 43.979 42.059 -0.087 0.000 1.294 296 L HN 0.554 nan 8.230 nan 0.000 0.414 297 R N 2.304 122.677 120.500 -0.212 0.000 2.787 297 R HA 0.921 5.261 4.340 -0.000 0.000 0.271 297 R C -1.325 174.937 176.300 -0.064 0.000 0.993 297 R CA -0.568 55.449 56.100 -0.138 0.000 0.993 297 R CB 1.346 31.581 30.300 -0.109 0.000 1.155 297 R HN 0.656 nan 8.270 nan 0.000 0.486 298 L N 0.000 121.202 121.223 -0.035 0.000 2.949 298 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 298 L CA 0.000 54.842 54.840 0.003 0.000 0.813 298 L CB 0.000 42.071 42.059 0.021 0.000 0.961 298 L HN 0.000 nan 8.230 nan 0.000 0.502