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 2va6_1_A DATA FIRST_RESID -1 DATA SEQUENCE FVEMVDNLRG KSGQGYYVEM TVGSPPQTLN ILVDTGSSNF AVGAAPHPFL DATA SEQUENCE HRYYQRQLSS TYRDLRKGVY VPYTQGKWEG ELGTDLVSIP HGPNVTVRAN DATA SEQUENCE IAAITESDKF FINGSNWEGI LGLAYAEIAR PDDSLEPFFD SLVKQTHVPN DATA SEQUENCE LFSLQLcGAX XXXXXXXXXX SVGGSMIIGG IDHSLYTGSL WYTPIRREWY DATA SEQUENCE YEVIIVRVEI NGQDLKMDcK EYNYDKSIVD SGTTNLRLPK KVFEAAVKSI DATA SEQUENCE KAASSTEKFP DGFWLGEQLV cWQAGTTPWN IFPVISLYLM GEVTNQSFRI DATA SEQUENCE TILPQQYLRP VEDVATSQDD cYKFAISQSS TGTVMGAVIM EGFYVVFDRA DATA SEQUENCE RKRIGFAVSA cHVHDEFRTA AVEGPFVTLD MEDcGYNI 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 -1 F HA 0.000 nan 4.527 nan 0.000 0.279 -1 F C 0.000 175.819 175.800 0.032 0.000 0.967 -1 F CA 0.000 58.023 58.000 0.038 0.000 1.383 -1 F CB 0.000 39.019 39.000 0.031 0.000 1.145 0 V N -0.313 119.695 119.914 0.157 0.000 2.392 0 V HA -0.259 3.861 4.120 -0.001 0.000 0.249 0 V C 1.982 178.136 176.094 0.100 0.000 1.059 0 V CA 2.458 64.818 62.300 0.100 0.000 1.051 0 V CB -1.005 30.851 31.823 0.055 0.000 0.658 0 V HN 0.593 nan 8.190 nan 0.000 0.455 1 E N 0.868 121.139 120.200 0.117 0.000 2.118 1 E HA -0.260 4.090 4.350 -0.001 0.000 0.195 1 E C 2.087 178.777 176.600 0.150 0.000 0.992 1 E CA 1.966 58.445 56.400 0.131 0.000 0.804 1 E CB -0.550 29.229 29.700 0.132 0.000 0.741 1 E HN 0.601 nan 8.360 nan 0.000 0.458 2 M N 1.287 120.988 119.600 0.167 0.000 2.506 2 M HA 0.074 4.554 4.480 -0.001 0.000 0.260 2 M C 0.338 176.688 176.300 0.083 0.000 1.104 2 M CA 0.052 55.437 55.300 0.141 0.000 1.112 2 M CB 0.576 33.266 32.600 0.151 0.000 1.401 2 M HN -0.110 nan 8.290 nan 0.000 0.473 3 V N 2.392 122.349 119.914 0.072 0.000 2.617 3 V HA -0.122 3.998 4.120 -0.001 0.000 0.304 3 V C 0.572 176.664 176.094 -0.002 0.000 1.040 3 V CA 0.822 63.141 62.300 0.032 0.000 1.149 3 V CB 0.296 32.135 31.823 0.027 0.000 0.914 3 V HN 0.571 nan 8.190 nan 0.000 0.487 4 D N 3.107 123.500 120.400 -0.011 0.000 2.945 4 D HA -0.181 4.459 4.640 -0.001 0.000 0.225 4 D C 0.857 177.116 176.300 -0.068 0.000 1.158 4 D CA 1.105 55.085 54.000 -0.033 0.000 0.805 4 D CB -0.835 39.943 40.800 -0.037 0.000 1.098 4 D HN 0.891 nan 8.370 nan 0.000 0.426 5 N N 0.129 118.799 118.700 -0.049 0.000 2.362 5 N HA 0.054 4.793 4.740 -0.001 0.000 0.204 5 N C 0.147 175.628 175.510 -0.049 0.000 1.166 5 N CA 0.127 53.139 53.050 -0.063 0.000 0.831 5 N CB -0.024 38.477 38.487 0.023 0.000 1.008 5 N HN 0.395 nan 8.380 nan 0.000 0.472 6 L N 0.003 121.190 121.223 -0.061 0.000 2.342 6 L HA 0.567 4.907 4.340 -0.001 0.000 0.271 6 L C 0.257 177.034 176.870 -0.155 0.000 1.008 6 L CA -0.908 53.879 54.840 -0.089 0.000 0.818 6 L CB 1.962 44.016 42.059 -0.009 0.000 1.296 6 L HN -0.042 nan 8.230 nan 0.000 0.427 7 R N 0.415 120.663 120.500 -0.421 0.000 2.930 7 R HA 0.875 5.215 4.340 -0.001 0.000 0.257 7 R C -0.405 175.542 176.300 -0.587 0.000 1.107 7 R CA -0.576 55.233 56.100 -0.486 0.000 0.999 7 R CB 2.029 31.960 30.300 -0.615 0.000 1.209 7 R HN 0.832 nan 8.270 nan 0.000 0.486 8 G N 0.768 109.346 108.800 -0.370 0.000 2.566 8 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.599 8 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.599 8 G C -1.323 173.249 174.900 -0.546 0.000 1.292 8 G CA -0.874 44.051 45.100 -0.292 0.000 0.922 8 G HN 0.450 nan 8.290 nan 0.000 0.514 9 K N -0.709 119.396 120.400 -0.492 0.000 2.303 9 K HA 0.714 5.034 4.320 -0.001 0.000 0.233 9 K C 1.712 177.968 176.600 -0.574 0.000 1.046 9 K CA -0.193 55.806 56.287 -0.480 0.000 0.895 9 K CB 1.464 33.864 32.500 -0.168 0.000 1.220 9 K HN 0.796 nan 8.250 nan 0.000 0.470 10 S N -0.543 115.051 115.700 -0.176 0.000 2.428 10 S HA -0.071 4.398 4.470 -0.001 0.000 0.230 10 S C 1.893 176.503 174.600 0.016 0.000 1.014 10 S CA 0.840 59.074 58.200 0.057 0.000 0.957 10 S CB -0.605 62.697 63.200 0.170 0.000 0.784 10 S HN 0.761 nan 8.310 nan 0.000 0.499 11 G N 0.699 109.491 108.800 -0.012 0.000 2.402 11 G HA2 -0.077 3.882 3.960 -0.001 0.000 0.216 11 G HA3 -0.077 3.882 3.960 -0.001 0.000 0.216 11 G C 1.479 176.389 174.900 0.016 0.000 1.162 11 G CA 0.541 45.644 45.100 0.005 0.000 0.777 11 G HN 0.583 nan 8.290 nan 0.000 0.539 12 Q N -0.423 119.384 119.800 0.011 0.000 2.217 12 Q HA 0.374 4.714 4.340 -0.001 0.000 0.217 12 Q C 0.687 176.768 176.000 0.135 0.000 0.844 12 Q CA 0.215 56.083 55.803 0.107 0.000 0.957 12 Q CB 1.201 30.016 28.738 0.129 0.000 1.127 12 Q HN 0.508 nan 8.270 nan 0.000 0.503 13 G N 0.653 109.432 108.800 -0.035 0.000 2.699 13 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.686 13 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.686 13 G C -1.361 173.430 174.900 -0.181 0.000 1.301 13 G CA -0.923 44.122 45.100 -0.092 0.000 0.816 13 G HN 0.141 nan 8.290 nan 0.000 0.595 14 Y N -0.104 120.148 120.300 -0.080 0.000 2.409 14 Y HA 0.708 5.258 4.550 -0.001 0.000 0.339 14 Y C 0.618 176.466 175.900 -0.085 0.000 1.033 14 Y CA -0.439 57.601 58.100 -0.101 0.000 1.094 14 Y CB 1.918 40.313 38.460 -0.108 0.000 1.210 14 Y HN 0.813 nan 8.280 nan 0.000 0.456 15 Y N -0.184 120.131 120.300 0.025 0.000 2.545 15 Y HA 0.829 5.379 4.550 -0.001 0.000 0.348 15 Y C -1.570 174.341 175.900 0.019 0.000 1.002 15 Y CA -1.670 56.415 58.100 -0.025 0.000 1.039 15 Y CB 1.053 39.511 38.460 -0.003 0.000 1.271 15 Y HN 0.438 nan 8.280 nan 0.000 0.467 16 V N 1.877 121.883 119.914 0.153 0.000 2.715 16 V HA 0.372 4.492 4.120 -0.001 0.000 0.310 16 V C -0.516 175.675 176.094 0.162 0.000 1.054 16 V CA -0.836 61.523 62.300 0.099 0.000 0.928 16 V CB 1.724 33.559 31.823 0.020 0.000 1.007 16 V HN 0.988 nan 8.190 nan 0.000 0.437 17 E N 5.290 125.592 120.200 0.169 0.000 2.360 17 E HA 0.382 4.732 4.350 -0.001 0.000 0.269 17 E C -0.772 175.876 176.600 0.079 0.000 1.022 17 E CA -0.087 56.407 56.400 0.157 0.000 0.887 17 E CB 0.723 30.541 29.700 0.197 0.000 0.990 17 E HN 0.672 nan 8.360 nan 0.000 0.426 18 M N 2.015 121.646 119.600 0.051 0.000 2.631 18 M HA 0.339 4.818 4.480 -0.001 0.000 0.288 18 M C -0.726 175.584 176.300 0.017 0.000 1.260 18 M CA -0.998 54.303 55.300 0.003 0.000 0.842 18 M CB 2.435 35.013 32.600 -0.037 0.000 1.743 18 M HN 0.541 nan 8.290 nan 0.000 0.461 19 T N -0.668 113.889 114.554 0.005 0.000 2.861 19 T HA 0.812 5.162 4.350 -0.001 0.000 0.287 19 T C -0.925 173.789 174.700 0.024 0.000 1.003 19 T CA -0.722 61.388 62.100 0.015 0.000 0.977 19 T CB 1.558 70.432 68.868 0.009 0.000 0.996 19 T HN 0.428 nan 8.240 nan 0.000 0.448 20 V N 1.932 121.857 119.914 0.019 0.000 2.914 20 V HA 0.902 5.022 4.120 -0.001 0.000 0.314 20 V C 0.848 176.992 176.094 0.083 0.000 1.084 20 V CA 0.397 62.699 62.300 0.004 0.000 0.963 20 V CB 1.341 33.047 31.823 -0.195 0.000 1.025 20 V HN 1.664 nan 8.190 nan 0.000 0.432 21 G N 3.461 112.344 108.800 0.138 0.000 2.819 21 G HA2 -0.096 3.864 3.960 -0.001 0.000 0.682 21 G HA3 -0.096 3.864 3.960 -0.001 0.000 0.682 21 G C -0.372 174.601 174.900 0.122 0.000 1.481 21 G CA -0.232 44.986 45.100 0.196 0.000 0.904 21 G HN 1.139 nan 8.290 nan 0.000 0.563 22 S N 2.800 118.567 115.700 0.111 0.000 2.456 22 S HA 0.729 5.198 4.470 -0.001 0.000 0.316 22 S C -2.079 172.557 174.600 0.061 0.000 1.089 22 S CA -0.948 57.296 58.200 0.073 0.000 1.101 22 S CB 2.427 65.665 63.200 0.063 0.000 0.995 22 S HN 0.794 nan 8.310 nan 0.000 0.468 23 P HA 0.326 nan 4.420 nan 0.000 0.274 23 P C -2.854 174.473 177.300 0.045 0.000 1.256 23 P CA -2.018 61.104 63.100 0.037 0.000 0.795 23 P CB -0.785 30.928 31.700 0.023 0.000 1.038 24 P HA 0.098 nan 4.420 nan 0.000 0.265 24 P C -0.569 176.751 177.300 0.034 0.000 1.222 24 P CA 0.431 63.553 63.100 0.037 0.000 0.767 24 P CB 0.230 31.943 31.700 0.021 0.000 0.801 25 Q N 1.694 121.524 119.800 0.050 0.000 2.274 25 Q HA 0.275 4.615 4.340 -0.001 0.000 0.256 25 Q C 0.059 176.076 176.000 0.028 0.000 0.927 25 Q CA -0.228 55.599 55.803 0.040 0.000 0.939 25 Q CB 0.783 29.570 28.738 0.081 0.000 1.201 25 Q HN 0.376 nan 8.270 nan 0.000 0.426 26 T N 3.933 118.497 114.554 0.017 0.000 2.817 26 T HA 0.506 4.856 4.350 -0.001 0.000 0.293 26 T C -0.223 174.490 174.700 0.023 0.000 0.964 26 T CA -0.307 61.806 62.100 0.020 0.000 1.085 26 T CB 0.280 69.161 68.868 0.021 0.000 0.921 26 T HN 0.331 nan 8.240 nan 0.000 0.502 27 L N 3.012 124.256 121.223 0.035 0.000 2.393 27 L HA 0.539 4.879 4.340 -0.001 0.000 0.260 27 L C -0.438 176.472 176.870 0.067 0.000 1.002 27 L CA -1.289 53.576 54.840 0.042 0.000 0.818 27 L CB 2.071 44.155 42.059 0.042 0.000 1.369 27 L HN 0.408 nan 8.230 nan 0.000 0.412 28 N N 2.409 121.142 118.700 0.056 0.000 2.425 28 N HA 0.549 5.289 4.740 -0.001 0.000 0.268 28 N C -1.138 174.446 175.510 0.124 0.000 0.991 28 N CA -0.298 52.799 53.050 0.078 0.000 0.931 28 N CB 1.664 40.066 38.487 -0.141 0.000 1.130 28 N HN 0.320 nan 8.380 nan 0.000 0.493 29 I N 2.533 123.208 120.570 0.174 0.000 2.498 29 I HA 0.266 4.435 4.170 -0.001 0.000 0.290 29 I C 0.032 176.177 176.117 0.047 0.000 1.032 29 I CA -0.886 60.496 61.300 0.138 0.000 1.073 29 I CB 1.747 39.831 38.000 0.140 0.000 1.251 29 I HN 0.287 nan 8.210 nan 0.000 0.426 30 L N 7.169 128.294 121.223 -0.164 0.000 2.455 30 L HA 0.161 4.501 4.340 -0.001 0.000 0.272 30 L C -0.198 176.551 176.870 -0.203 0.000 1.174 30 L CA 0.246 54.865 54.840 -0.370 0.000 0.869 30 L CB 0.735 42.261 42.059 -0.889 0.000 1.130 30 L HN 0.342 nan 8.230 nan 0.000 0.474 31 V N 5.131 124.958 119.914 -0.145 0.000 2.372 31 V HA 0.217 4.337 4.120 -0.001 0.000 0.261 31 V C -0.336 175.675 176.094 -0.138 0.000 1.055 31 V CA -0.203 62.010 62.300 -0.144 0.000 0.930 31 V CB 0.710 32.464 31.823 -0.114 0.000 1.031 31 V HN 0.758 nan 8.190 nan 0.000 0.479 32 D N 3.389 123.706 120.400 -0.139 0.000 2.469 32 D HA 0.225 4.864 4.640 -0.001 0.000 0.251 32 D C 1.000 177.263 176.300 -0.063 0.000 1.173 32 D CA -0.236 53.712 54.000 -0.087 0.000 0.882 32 D CB 1.892 42.652 40.800 -0.067 0.000 1.129 32 D HN 0.540 nan 8.370 nan 0.000 0.549 33 T N -0.062 114.459 114.554 -0.055 0.000 3.129 33 T HA 0.193 4.543 4.350 -0.001 0.000 0.251 33 T C 1.448 176.258 174.700 0.184 0.000 1.117 33 T CA 0.239 62.343 62.100 0.007 0.000 1.034 33 T CB 0.205 68.941 68.868 -0.219 0.000 0.968 33 T HN 0.290 nan 8.240 nan 0.000 0.526 34 G N 0.915 109.796 108.800 0.135 0.000 3.189 34 G HA2 0.442 4.402 3.960 -0.001 0.000 0.225 34 G HA3 0.442 4.402 3.960 -0.001 0.000 0.225 34 G C 0.278 175.278 174.900 0.167 0.000 1.159 34 G CA 0.117 45.337 45.100 0.199 0.000 0.763 34 G HN 0.782 nan 8.290 nan 0.000 0.549 35 S N -2.106 113.654 115.700 0.100 0.000 2.656 35 S HA 0.628 5.097 4.470 -0.001 0.000 0.273 35 S C -0.129 174.507 174.600 0.060 0.000 1.168 35 S CA -0.288 57.963 58.200 0.085 0.000 0.817 35 S CB 1.726 65.034 63.200 0.181 0.000 1.146 35 S HN -0.065 nan 8.310 nan 0.000 0.475 36 S N 0.298 116.047 115.700 0.081 0.000 2.900 36 S HA 0.384 4.854 4.470 -0.001 0.000 0.253 36 S C -0.323 174.366 174.600 0.148 0.000 1.029 36 S CA -0.518 57.730 58.200 0.080 0.000 1.096 36 S CB -0.244 62.982 63.200 0.043 0.000 1.067 36 S HN 0.625 nan 8.310 nan 0.000 0.610 37 N N 1.388 120.208 118.700 0.201 0.000 2.399 37 N HA 0.371 5.111 4.740 -0.001 0.000 0.295 37 N C -1.708 173.966 175.510 0.272 0.000 1.048 37 N CA -0.297 52.907 53.050 0.258 0.000 0.886 37 N CB 1.211 39.912 38.487 0.356 0.000 1.185 37 N HN 0.136 nan 8.380 nan 0.000 0.487 38 F N 2.654 122.648 119.950 0.073 0.000 2.335 38 F HA 0.487 5.013 4.527 -0.001 0.000 0.365 38 F C -0.473 175.296 175.800 -0.052 0.000 1.122 38 F CA -1.466 56.527 58.000 -0.011 0.000 1.151 38 F CB -0.145 38.847 39.000 -0.012 0.000 1.282 38 F HN 0.362 nan 8.300 nan 0.000 0.513 39 A N 6.490 129.125 122.820 -0.308 0.000 2.318 39 A HA 0.739 5.058 4.320 -0.001 0.000 0.317 39 A C -1.222 176.079 177.584 -0.472 0.000 1.159 39 A CA -0.405 51.297 52.037 -0.560 0.000 0.799 39 A CB 0.982 19.332 19.000 -1.083 0.000 1.194 39 A HN 0.964 nan 8.150 nan 0.000 0.479 40 V N 0.524 120.185 119.914 -0.421 0.000 2.735 40 V HA 0.917 5.037 4.120 -0.001 0.000 0.310 40 V C 0.390 176.492 176.094 0.012 0.000 1.061 40 V CA -0.235 61.954 62.300 -0.186 0.000 0.913 40 V CB 1.313 32.939 31.823 -0.328 0.000 1.005 40 V HN 1.354 nan 8.190 nan 0.000 0.428 41 G N 2.147 111.051 108.800 0.173 0.000 2.343 41 G HA2 0.528 4.487 3.960 -0.001 0.000 0.254 41 G HA3 0.528 4.487 3.960 -0.001 0.000 0.254 41 G C 0.476 175.486 174.900 0.183 0.000 1.277 41 G CA 0.117 45.332 45.100 0.192 0.000 0.909 41 G HN 1.895 nan 8.290 nan 0.000 0.502 42 A N 1.514 124.423 122.820 0.148 0.000 2.609 42 A HA 0.778 5.098 4.320 -0.001 0.000 0.286 42 A C 0.701 178.341 177.584 0.093 0.000 1.138 42 A CA 0.649 52.798 52.037 0.187 0.000 0.960 42 A CB 0.151 19.218 19.000 0.112 0.000 1.208 42 A HN 1.725 nan 8.150 nan 0.000 0.541 43 A N 0.489 123.213 122.820 -0.161 0.000 2.572 43 A HA 0.756 5.076 4.320 -0.001 0.000 0.295 43 A C -3.038 174.027 177.584 -0.865 0.000 1.072 43 A CA -1.465 50.316 52.037 -0.427 0.000 0.691 43 A CB 1.019 19.916 19.000 -0.171 0.000 1.291 43 A HN -0.011 nan 8.150 nan 0.000 0.404 44 P HA 0.060 nan 4.420 nan 0.000 0.225 44 P C -0.178 176.902 177.300 -0.368 0.000 1.768 44 P CA 0.202 62.823 63.100 -0.798 0.000 0.943 44 P CB -1.028 30.383 31.700 -0.481 0.000 1.936 45 H N 3.250 122.085 119.070 -0.391 0.000 3.094 45 H HA -0.014 4.542 4.556 -0.001 0.000 0.320 45 H C -0.829 174.329 175.328 -0.283 0.000 1.000 45 H CA -0.527 55.336 56.048 -0.308 0.000 1.413 45 H CB 0.771 30.359 29.762 -0.290 0.000 1.405 45 H HN 0.135 nan 8.280 nan 0.000 0.586 46 P HA -0.169 nan 4.420 nan 0.000 0.221 46 P C 1.014 178.374 177.300 0.100 0.000 1.150 46 P CA 0.940 63.948 63.100 -0.153 0.000 0.800 46 P CB 0.152 31.734 31.700 -0.196 0.000 0.787 47 F N -0.048 119.953 119.950 0.085 0.000 2.333 47 F HA -0.007 4.520 4.527 -0.001 0.000 0.300 47 F C 1.573 177.253 175.800 -0.199 0.000 1.083 47 F CA -0.203 57.782 58.000 -0.024 0.000 1.395 47 F CB -1.547 37.468 39.000 0.025 0.000 1.056 47 F HN -0.145 nan 8.300 nan 0.000 0.529 48 L N 0.235 121.441 121.223 -0.028 0.000 2.349 48 L HA 0.133 4.473 4.340 -0.001 0.000 0.275 48 L C 1.733 178.547 176.870 -0.094 0.000 1.115 48 L CA -0.353 54.390 54.840 -0.161 0.000 0.820 48 L CB 0.807 42.714 42.059 -0.253 0.000 1.135 48 L HN 0.121 nan 8.230 nan 0.000 0.445 49 H N 2.477 121.499 119.070 -0.080 0.000 2.403 49 H HA 0.130 4.685 4.556 -0.001 0.000 0.298 49 H C 0.304 175.632 175.328 0.001 0.000 1.059 49 H CA 0.891 56.917 56.048 -0.037 0.000 1.363 49 H CB 0.487 30.212 29.762 -0.063 0.000 1.410 49 H HN 0.524 nan 8.280 nan 0.000 0.528 50 R N -0.517 120.068 120.500 0.142 0.000 2.774 50 R HA 0.356 4.696 4.340 -0.001 0.000 0.272 50 R C -1.628 174.763 176.300 0.153 0.000 1.000 50 R CA -0.789 55.355 56.100 0.073 0.000 0.906 50 R CB 2.471 32.785 30.300 0.023 0.000 1.227 50 R HN 0.044 nan 8.270 nan 0.000 0.468 51 Y N -1.652 118.641 120.300 -0.011 0.000 2.609 51 Y HA 0.412 4.961 4.550 -0.001 0.000 0.336 51 Y C -1.581 174.359 175.900 0.068 0.000 1.129 51 Y CA -1.540 56.561 58.100 0.000 0.000 1.040 51 Y CB 0.575 39.011 38.460 -0.040 0.000 1.310 51 Y HN 0.526 nan 8.280 nan 0.000 0.460 52 Y N 3.085 123.416 120.300 0.052 0.000 2.480 52 Y HA 0.330 4.879 4.550 -0.001 0.000 0.341 52 Y C -0.497 175.383 175.900 -0.035 0.000 1.031 52 Y CA -0.704 57.375 58.100 -0.036 0.000 1.295 52 Y CB 0.793 39.229 38.460 -0.041 0.000 1.162 52 Y HN 0.714 nan 8.280 nan 0.000 0.523 53 Q N 7.315 126.982 119.800 -0.221 0.000 2.509 53 Q HA 0.266 4.606 4.340 -0.001 0.000 0.236 53 Q C 0.944 176.650 176.000 -0.489 0.000 1.073 53 Q CA -0.415 55.202 55.803 -0.311 0.000 0.867 53 Q CB 0.951 29.553 28.738 -0.227 0.000 1.181 53 Q HN 0.808 nan 8.270 nan 0.000 0.526 54 R N 1.198 121.216 120.500 -0.805 0.000 2.105 54 R HA -0.222 4.118 4.340 -0.001 0.000 0.239 54 R C 2.211 178.253 176.300 -0.429 0.000 1.135 54 R CA 1.699 57.263 56.100 -0.893 0.000 0.967 54 R CB -0.002 29.541 30.300 -1.261 0.000 0.861 54 R HN 0.627 nan 8.270 nan 0.000 0.442 55 Q N 1.054 120.675 119.800 -0.298 0.000 2.217 55 Q HA -0.213 4.127 4.340 -0.001 0.000 0.209 55 Q C 1.594 177.540 176.000 -0.090 0.000 0.988 55 Q CA 1.652 57.368 55.803 -0.145 0.000 0.878 55 Q CB -0.386 28.289 28.738 -0.106 0.000 0.909 55 Q HN 0.451 nan 8.270 nan 0.000 0.424 56 L N 0.927 122.086 121.223 -0.107 0.000 2.591 56 L HA 0.187 4.526 4.340 -0.001 0.000 0.228 56 L C 0.857 177.722 176.870 -0.008 0.000 1.133 56 L CA -0.184 54.625 54.840 -0.052 0.000 0.880 56 L CB 0.352 42.376 42.059 -0.058 0.000 1.033 56 L HN 0.006 nan 8.230 nan 0.000 0.450 57 S N -1.078 114.626 115.700 0.006 0.000 2.438 57 S HA 0.219 4.689 4.470 -0.001 0.000 0.316 57 S C 1.220 175.883 174.600 0.105 0.000 1.084 57 S CA -0.605 57.645 58.200 0.082 0.000 1.107 57 S CB 1.344 64.639 63.200 0.159 0.000 0.981 57 S HN 0.193 nan 8.310 nan 0.000 0.466 58 S N 3.208 118.958 115.700 0.084 0.000 2.387 58 S HA -0.143 4.326 4.470 -0.001 0.000 0.230 58 S C 1.801 176.460 174.600 0.098 0.000 1.035 58 S CA 2.003 60.249 58.200 0.076 0.000 1.014 58 S CB -0.547 62.686 63.200 0.055 0.000 0.836 58 S HN 0.940 nan 8.310 nan 0.000 0.466 59 T N -1.879 112.748 114.554 0.122 0.000 3.086 59 T HA 0.197 4.547 4.350 -0.001 0.000 0.250 59 T C 0.358 175.151 174.700 0.155 0.000 1.074 59 T CA -0.455 61.714 62.100 0.114 0.000 0.988 59 T CB -0.487 68.441 68.868 0.100 0.000 0.988 59 T HN 0.369 nan 8.240 nan 0.000 0.530 60 Y N 3.090 123.441 120.300 0.085 0.000 2.480 60 Y HA 0.412 4.962 4.550 -0.001 0.000 0.338 60 Y C 0.106 176.049 175.900 0.072 0.000 1.220 60 Y CA -0.932 57.230 58.100 0.104 0.000 1.430 60 Y CB 0.476 38.990 38.460 0.090 0.000 1.311 60 Y HN 0.036 nan 8.280 nan 0.000 0.575 61 R N 4.595 124.616 120.500 -0.799 0.000 2.515 61 R HA 0.157 4.496 4.340 -0.001 0.000 0.291 61 R C -1.497 174.223 176.300 -0.967 0.000 1.046 61 R CA -0.995 54.661 56.100 -0.740 0.000 0.914 61 R CB 1.304 31.434 30.300 -0.283 0.000 1.191 61 R HN 0.706 nan 8.270 nan 0.000 0.435 62 D N 2.893 122.832 120.400 -0.768 0.000 2.414 62 D HA 0.043 4.683 4.640 -0.001 0.000 0.242 62 D C 0.486 176.705 176.300 -0.134 0.000 1.129 62 D CA 0.207 54.031 54.000 -0.294 0.000 0.885 62 D CB 1.189 41.983 40.800 -0.010 0.000 1.198 62 D HN 0.484 nan 8.370 nan 0.000 0.437 63 L N 3.356 124.560 121.223 -0.031 0.000 2.667 63 L HA 0.185 4.525 4.340 -0.001 0.000 0.232 63 L C 0.527 177.413 176.870 0.026 0.000 1.138 63 L CA -0.149 54.691 54.840 -0.000 0.000 0.921 63 L CB 0.036 42.110 42.059 0.026 0.000 1.180 63 L HN 0.422 nan 8.230 nan 0.000 0.487 64 R N 1.542 122.065 120.500 0.039 0.000 3.092 64 R HA -0.207 4.133 4.340 -0.001 0.000 0.245 64 R C -0.206 176.119 176.300 0.042 0.000 0.881 64 R CA 0.734 56.859 56.100 0.042 0.000 0.614 64 R CB -1.249 29.067 30.300 0.026 0.000 1.128 64 R HN 0.284 nan 8.270 nan 0.000 0.483 65 K N -0.349 120.085 120.400 0.056 0.000 2.610 65 K HA 0.432 4.752 4.320 -0.001 0.000 0.267 65 K C -0.819 175.824 176.600 0.071 0.000 0.943 65 K CA -0.079 56.240 56.287 0.053 0.000 0.862 65 K CB 1.636 34.165 32.500 0.049 0.000 1.376 65 K HN 0.204 nan 8.250 nan 0.000 0.412 66 G N 1.038 109.876 108.800 0.063 0.000 2.568 66 G HA2 0.743 4.702 3.960 -0.001 0.000 0.313 66 G HA3 0.743 4.702 3.960 -0.001 0.000 0.313 66 G C -1.114 173.826 174.900 0.066 0.000 1.227 66 G CA -0.716 44.431 45.100 0.077 0.000 0.979 66 G HN 0.411 nan 8.290 nan 0.000 0.486 67 V N -1.275 118.683 119.914 0.072 0.000 2.841 67 V HA 0.631 4.751 4.120 -0.001 0.000 0.310 67 V C -1.500 174.557 176.094 -0.062 0.000 1.090 67 V CA -1.140 61.157 62.300 -0.003 0.000 0.930 67 V CB 1.465 33.279 31.823 -0.015 0.000 1.014 67 V HN 0.772 nan 8.190 nan 0.000 0.425 68 Y N 2.721 122.852 120.300 -0.281 0.000 2.350 68 Y HA 0.779 5.329 4.550 -0.001 0.000 0.338 68 Y C -0.842 174.722 175.900 -0.560 0.000 0.961 68 Y CA -0.790 57.090 58.100 -0.366 0.000 1.100 68 Y CB 2.174 40.502 38.460 -0.221 0.000 1.179 68 Y HN 0.510 nan 8.280 nan 0.000 0.454 69 V N 8.844 127.986 119.914 -1.285 0.000 2.385 69 V HA 0.358 4.478 4.120 -0.001 0.000 0.277 69 V C -2.448 172.865 176.094 -1.301 0.000 1.012 69 V CA -1.669 59.866 62.300 -1.276 0.000 0.832 69 V CB 0.993 31.734 31.823 -1.804 0.000 1.028 69 V HN 0.639 nan 8.190 nan 0.000 0.436 70 P HA 0.460 nan 4.420 nan 0.000 0.277 70 P C -1.252 175.663 177.300 -0.642 0.000 1.240 70 P CA -0.078 62.647 63.100 -0.625 0.000 0.798 70 P CB 1.160 32.740 31.700 -0.200 0.000 0.979 71 Y N -1.462 118.795 120.300 -0.072 0.000 2.773 71 Y HA 0.380 4.929 4.550 -0.001 0.000 0.323 71 Y C 0.866 176.778 175.900 0.019 0.000 1.183 71 Y CA -0.847 57.254 58.100 0.002 0.000 1.144 71 Y CB 0.586 39.079 38.460 0.054 0.000 1.340 71 Y HN 0.135 nan 8.280 nan 0.000 0.531 72 T N 0.932 115.626 114.554 0.233 0.000 2.769 72 T HA 0.011 4.361 4.350 -0.001 0.000 0.293 72 T C 0.444 175.224 174.700 0.133 0.000 0.931 72 T CA -0.309 61.872 62.100 0.134 0.000 1.139 72 T CB 0.902 69.824 68.868 0.090 0.000 0.881 72 T HN 0.638 nan 8.240 nan 0.000 0.532 73 Q N 0.327 120.192 119.800 0.108 0.000 2.027 73 Q HA -0.212 4.127 4.340 -0.001 0.000 0.150 73 Q C 0.990 177.073 176.000 0.139 0.000 1.616 73 Q CA 2.245 58.111 55.803 0.106 0.000 1.315 73 Q CB -1.612 27.179 28.738 0.089 0.000 1.352 73 Q HN 1.044 nan 8.270 nan 0.000 0.823 74 G N 1.075 110.001 108.800 0.209 0.000 2.599 74 G HA2 0.418 4.377 3.960 -0.001 0.000 0.264 74 G HA3 0.418 4.377 3.960 -0.001 0.000 0.264 74 G C -0.177 174.854 174.900 0.218 0.000 1.200 74 G CA 0.456 45.736 45.100 0.301 0.000 0.896 74 G HN 0.277 nan 8.290 nan 0.000 0.536 75 K N -0.989 119.521 120.400 0.183 0.000 2.610 75 K HA 0.352 4.672 4.320 -0.001 0.000 0.278 75 K C -1.406 175.117 176.600 -0.128 0.000 0.964 75 K CA -1.102 55.081 56.287 -0.173 0.000 0.859 75 K CB 1.449 33.753 32.500 -0.327 0.000 1.434 75 K HN 0.816 nan 8.250 nan 0.000 0.410 76 W N 1.241 122.236 121.300 -0.509 0.000 3.040 76 W HA 0.753 5.413 4.660 -0.001 0.000 0.344 76 W C -1.616 174.622 176.519 -0.468 0.000 1.201 76 W CA -0.748 56.280 57.345 -0.529 0.000 1.119 76 W CB 1.433 30.378 29.460 -0.859 0.000 1.478 76 W HN 0.863 nan 8.180 nan 0.000 0.586 77 E N 0.578 120.875 120.200 0.163 0.000 2.347 77 E HA 0.506 4.856 4.350 -0.001 0.000 0.285 77 E C -0.927 175.851 176.600 0.297 0.000 0.925 77 E CA -0.340 56.120 56.400 0.100 0.000 0.779 77 E CB 2.071 31.823 29.700 0.087 0.000 1.233 77 E HN 0.841 nan 8.360 nan 0.000 0.414 78 G N 2.402 111.381 108.800 0.297 0.000 2.815 78 G HA2 0.452 4.411 3.960 -0.001 0.000 0.305 78 G HA3 0.452 4.411 3.960 -0.001 0.000 0.305 78 G C -1.362 173.648 174.900 0.184 0.000 1.277 78 G CA -0.663 44.584 45.100 0.245 0.000 0.795 78 G HN 0.414 nan 8.290 nan 0.000 0.528 79 E N 0.304 120.604 120.200 0.167 0.000 2.185 79 E HA 0.401 4.751 4.350 -0.001 0.000 0.261 79 E C -0.435 176.275 176.600 0.185 0.000 0.879 79 E CA -0.412 56.081 56.400 0.154 0.000 0.756 79 E CB 2.232 32.013 29.700 0.135 0.000 1.152 79 E HN 0.265 nan 8.360 nan 0.000 0.416 80 L N 2.790 124.113 121.223 0.165 0.000 2.455 80 L HA 0.429 4.769 4.340 -0.001 0.000 0.272 80 L C 0.797 177.772 176.870 0.176 0.000 1.174 80 L CA 0.221 55.160 54.840 0.164 0.000 0.869 80 L CB 0.426 42.561 42.059 0.127 0.000 1.130 80 L HN 0.661 nan 8.230 nan 0.000 0.474 81 G N 1.287 110.211 108.800 0.206 0.000 2.782 81 G HA2 0.678 4.638 3.960 -0.001 0.000 0.304 81 G HA3 0.678 4.638 3.960 -0.001 0.000 0.304 81 G C -1.127 173.855 174.900 0.137 0.000 1.315 81 G CA -0.077 45.111 45.100 0.146 0.000 0.791 81 G HN 0.542 nan 8.290 nan 0.000 0.519 82 T N -2.197 112.396 114.554 0.064 0.000 2.903 82 T HA 0.730 5.079 4.350 -0.001 0.000 0.299 82 T C -1.492 173.303 174.700 0.158 0.000 1.093 82 T CA -0.559 61.610 62.100 0.115 0.000 1.002 82 T CB 2.929 71.831 68.868 0.057 0.000 1.127 82 T HN 0.647 nan 8.240 nan 0.000 0.488 83 D N -0.047 120.468 120.400 0.192 0.000 2.779 83 D HA 0.351 4.991 4.640 -0.001 0.000 0.331 83 D C -1.216 175.179 176.300 0.158 0.000 1.331 83 D CA -0.682 53.444 54.000 0.211 0.000 0.866 83 D CB 1.574 42.577 40.800 0.338 0.000 1.409 83 D HN 0.673 nan 8.370 nan 0.000 0.486 84 L N 1.483 122.791 121.223 0.141 0.000 2.260 84 L HA 0.491 4.830 4.340 -0.001 0.000 0.289 84 L C -0.383 176.551 176.870 0.106 0.000 1.057 84 L CA -0.707 54.197 54.840 0.106 0.000 0.811 84 L CB 1.272 43.380 42.059 0.082 0.000 1.184 84 L HN 0.099 nan 8.230 nan 0.000 0.429 85 V N 2.512 122.497 119.914 0.120 0.000 2.628 85 V HA 0.596 4.716 4.120 -0.001 0.000 0.306 85 V C -0.086 176.066 176.094 0.096 0.000 1.045 85 V CA -0.396 61.976 62.300 0.120 0.000 0.905 85 V CB 2.002 33.940 31.823 0.191 0.000 0.997 85 V HN 0.807 nan 8.190 nan 0.000 0.436 86 S N 3.460 119.190 115.700 0.051 0.000 2.618 86 S HA 0.773 5.243 4.470 -0.001 0.000 0.277 86 S C -1.320 173.282 174.600 0.003 0.000 1.138 86 S CA -0.597 57.624 58.200 0.035 0.000 0.844 86 S CB 1.621 64.831 63.200 0.017 0.000 1.127 86 S HN 0.542 nan 8.310 nan 0.000 0.474 87 I N 3.587 124.160 120.570 0.005 0.000 2.495 87 I HA 0.324 4.494 4.170 -0.001 0.000 0.277 87 I C -1.936 174.162 176.117 -0.032 0.000 1.045 87 I CA -2.165 59.127 61.300 -0.012 0.000 1.135 87 I CB 1.863 39.870 38.000 0.012 0.000 1.241 87 I HN 0.457 nan 8.210 nan 0.000 0.469 88 P HA -0.231 nan 4.420 nan 0.000 0.218 88 P C 0.666 177.778 177.300 -0.313 0.000 1.165 88 P CA 1.743 64.689 63.100 -0.255 0.000 0.922 88 P CB 0.007 31.477 31.700 -0.383 0.000 0.794 89 H N -1.407 117.684 119.070 0.035 0.000 2.655 89 H HA 0.455 5.011 4.556 -0.001 0.000 0.309 89 H C 1.115 176.475 175.328 0.054 0.000 1.180 89 H CA 0.191 56.265 56.048 0.043 0.000 1.087 89 H CB -0.409 29.375 29.762 0.037 0.000 1.494 89 H HN 0.149 nan 8.280 nan 0.000 0.515 90 G N 0.817 109.681 108.800 0.106 0.000 3.257 90 G HA2 0.356 4.315 3.960 -0.001 0.000 0.205 90 G HA3 0.356 4.315 3.960 -0.001 0.000 0.205 90 G C -2.597 172.367 174.900 0.107 0.000 1.234 90 G CA -1.474 43.692 45.100 0.109 0.000 0.918 90 G HN -0.038 nan 8.290 nan 0.000 0.602 91 P HA 0.077 nan 4.420 nan 0.000 0.268 91 P C -0.410 176.922 177.300 0.053 0.000 1.208 91 P CA -0.002 63.153 63.100 0.092 0.000 0.777 91 P CB 0.500 32.241 31.700 0.068 0.000 0.875 92 N N 1.102 119.828 118.700 0.043 0.000 3.331 92 N HA 0.222 4.962 4.740 -0.001 0.000 0.303 92 N C -0.245 175.271 175.510 0.011 0.000 1.326 92 N CA -0.408 52.655 53.050 0.022 0.000 1.207 92 N CB -0.102 38.398 38.487 0.021 0.000 1.477 92 N HN 0.163 nan 8.380 nan 0.000 0.541 93 V N -1.748 118.169 119.914 0.004 0.000 3.139 93 V HA 0.738 4.857 4.120 -0.001 0.000 0.310 93 V C -0.259 175.830 176.094 -0.009 0.000 1.260 93 V CA -0.415 61.876 62.300 -0.014 0.000 1.064 93 V CB 1.840 33.639 31.823 -0.039 0.000 1.160 93 V HN 0.017 nan 8.190 nan 0.000 0.470 94 T N 0.628 115.171 114.554 -0.019 0.000 3.012 94 T HA 0.705 5.055 4.350 -0.001 0.000 0.330 94 T C -0.972 173.718 174.700 -0.016 0.000 1.321 94 T CA 0.055 62.155 62.100 -0.000 0.000 1.067 94 T CB 1.451 70.323 68.868 0.005 0.000 1.235 94 T HN 1.900 nan 8.240 nan 0.000 0.479 95 V N 0.853 120.771 119.914 0.007 0.000 3.159 95 V HA 0.816 4.936 4.120 -0.001 0.000 0.308 95 V C -1.023 175.087 176.094 0.026 0.000 1.190 95 V CA -1.497 60.787 62.300 -0.026 0.000 1.037 95 V CB 2.267 34.014 31.823 -0.127 0.000 1.060 95 V HN 0.860 nan 8.190 nan 0.000 0.437 96 R N 1.936 122.439 120.500 0.004 0.000 2.233 96 R HA 0.819 5.159 4.340 -0.001 0.000 0.334 96 R C -0.287 176.045 176.300 0.053 0.000 1.037 96 R CA 0.368 56.493 56.100 0.042 0.000 0.920 96 R CB 0.637 30.950 30.300 0.022 0.000 1.137 96 R HN 1.323 nan 8.270 nan 0.000 0.492 97 A N 3.760 126.659 122.820 0.131 0.000 2.354 97 A HA 0.469 4.788 4.320 -0.001 0.000 0.321 97 A C -0.824 176.893 177.584 0.221 0.000 1.125 97 A CA -1.052 51.098 52.037 0.188 0.000 0.799 97 A CB 1.062 20.285 19.000 0.372 0.000 1.293 97 A HN 0.746 nan 8.150 nan 0.000 0.452 98 N N 0.513 119.348 118.700 0.225 0.000 2.513 98 N HA 0.322 5.061 4.740 -0.001 0.000 0.268 98 N C -0.827 174.853 175.510 0.283 0.000 1.180 98 N CA 0.584 53.763 53.050 0.216 0.000 0.948 98 N CB 0.619 39.217 38.487 0.185 0.000 1.083 98 N HN 0.503 nan 8.380 nan 0.000 0.455 99 I N 0.907 121.586 120.570 0.181 0.000 2.466 99 I HA 0.318 4.488 4.170 -0.001 0.000 0.289 99 I C -0.061 176.086 176.117 0.050 0.000 1.026 99 I CA -1.084 60.213 61.300 -0.005 0.000 1.078 99 I CB 1.835 39.769 38.000 -0.111 0.000 1.249 99 I HN 0.354 nan 8.210 nan 0.000 0.429 100 A N 5.221 128.025 122.820 -0.027 0.000 2.310 100 A HA 0.692 5.012 4.320 -0.001 0.000 0.300 100 A C 0.404 177.976 177.584 -0.020 0.000 1.269 100 A CA -0.418 51.654 52.037 0.058 0.000 0.909 100 A CB 0.290 19.376 19.000 0.142 0.000 1.144 100 A HN 0.825 nan 8.150 nan 0.000 0.540 101 A N 4.070 126.955 122.820 0.109 0.000 2.410 101 A HA 0.489 4.809 4.320 -0.001 0.000 0.292 101 A C 0.177 177.810 177.584 0.080 0.000 1.232 101 A CA -0.257 51.855 52.037 0.125 0.000 0.893 101 A CB -0.570 18.516 19.000 0.143 0.000 1.131 101 A HN 0.770 nan 8.150 nan 0.000 0.530 102 I N 3.416 123.998 120.570 0.021 0.000 2.505 102 I HA 0.024 4.194 4.170 -0.001 0.000 0.287 102 I C 1.573 177.749 176.117 0.099 0.000 1.104 102 I CA 0.470 61.797 61.300 0.045 0.000 1.387 102 I CB 0.901 38.875 38.000 -0.043 0.000 1.404 102 I HN 0.823 nan 8.210 nan 0.000 0.528 103 T N 1.067 115.687 114.554 0.109 0.000 2.990 103 T HA 0.223 4.572 4.350 -0.001 0.000 0.250 103 T C 0.393 175.144 174.700 0.085 0.000 1.041 103 T CA -0.172 61.974 62.100 0.078 0.000 1.010 103 T CB 0.358 69.267 68.868 0.068 0.000 1.003 103 T HN 0.630 nan 8.240 nan 0.000 0.499 104 E N 0.807 121.075 120.200 0.114 0.000 2.363 104 E HA 0.506 4.856 4.350 -0.001 0.000 0.281 104 E C -1.733 174.933 176.600 0.111 0.000 0.953 104 E CA -0.624 55.843 56.400 0.112 0.000 0.778 104 E CB 2.040 31.797 29.700 0.094 0.000 1.220 104 E HN 0.326 nan 8.360 nan 0.000 0.431 105 S N 2.350 118.124 115.700 0.124 0.000 2.537 105 S HA 0.487 4.957 4.470 -0.001 0.000 0.271 105 S C -1.553 173.119 174.600 0.120 0.000 1.148 105 S CA -1.039 57.210 58.200 0.081 0.000 0.868 105 S CB 1.817 65.011 63.200 -0.010 0.000 1.115 105 S HN 0.465 nan 8.310 nan 0.000 0.461 106 D N 0.622 121.090 120.400 0.114 0.000 2.502 106 D HA 0.488 5.128 4.640 -0.001 0.000 0.249 106 D C -0.468 175.941 176.300 0.182 0.000 1.092 106 D CA -0.437 53.646 54.000 0.138 0.000 0.839 106 D CB 1.012 41.877 40.800 0.108 0.000 1.264 106 D HN 0.690 nan 8.370 nan 0.000 0.511 107 K N 1.952 122.465 120.400 0.189 0.000 3.020 107 K HA -0.269 4.051 4.320 -0.001 0.000 0.266 107 K C 0.234 176.953 176.600 0.198 0.000 1.067 107 K CA 0.454 56.855 56.287 0.190 0.000 0.780 107 K CB -1.144 31.449 32.500 0.154 0.000 1.220 107 K HN 0.459 nan 8.250 nan 0.000 0.483 108 F N 0.385 120.328 119.950 -0.013 0.000 2.208 108 F HA 0.212 4.739 4.527 -0.001 0.000 0.282 108 F C 0.731 176.428 175.800 -0.171 0.000 1.071 108 F CA 0.269 58.188 58.000 -0.134 0.000 1.228 108 F CB 0.236 39.051 39.000 -0.308 0.000 1.088 108 F HN -0.095 nan 8.300 nan 0.000 0.512 109 F N 1.811 121.736 119.950 -0.041 0.000 2.459 109 F HA 0.270 4.797 4.527 -0.000 0.000 0.346 109 F C 0.165 175.893 175.800 -0.121 0.000 1.128 109 F CA -0.452 57.363 58.000 -0.307 0.000 1.268 109 F CB -0.042 38.776 39.000 -0.304 0.000 1.161 109 F HN -0.225 nan 8.300 nan 0.000 0.583 110 I N 2.640 123.113 120.570 -0.162 0.000 2.331 110 I HA 0.135 4.305 4.170 -0.001 0.000 0.292 110 I C 0.131 176.032 176.117 -0.360 0.000 0.998 110 I CA -0.721 60.468 61.300 -0.184 0.000 1.267 110 I CB 0.792 38.681 38.000 -0.185 0.000 1.386 110 I HN 0.461 nan 8.210 nan 0.000 0.476 111 N N 4.670 122.923 118.700 -0.745 0.000 2.452 111 N HA 0.146 4.885 4.740 -0.001 0.000 0.266 111 N C 0.847 176.053 175.510 -0.508 0.000 1.209 111 N CA 1.322 53.693 53.050 -1.132 0.000 0.929 111 N CB 0.824 38.423 38.487 -1.480 0.000 1.063 111 N HN 0.864 nan 8.380 nan 0.000 0.472 112 G N 1.623 110.208 108.800 -0.359 0.000 2.176 112 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.253 112 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.253 112 G C 0.199 175.024 174.900 -0.125 0.000 0.979 112 G CA 0.506 45.492 45.100 -0.190 0.000 0.641 112 G HN 0.984 nan 8.290 nan 0.000 0.530 113 S N -0.828 114.747 115.700 -0.209 0.000 2.614 113 S HA 0.488 4.957 4.470 -0.001 0.000 0.265 113 S C 0.745 175.235 174.600 -0.183 0.000 1.303 113 S CA 0.322 58.370 58.200 -0.254 0.000 1.000 113 S CB 1.625 64.455 63.200 -0.617 0.000 0.935 113 S HN 0.412 nan 8.310 nan 0.000 0.551 114 N N 0.651 119.193 118.700 -0.263 0.000 2.235 114 N HA 0.154 4.894 4.740 -0.001 0.000 0.231 114 N C -0.524 174.652 175.510 -0.556 0.000 1.177 114 N CA -0.518 52.288 53.050 -0.406 0.000 0.874 114 N CB 0.335 38.618 38.487 -0.340 0.000 1.097 114 N HN 0.833 nan 8.380 nan 0.000 0.518 115 W N 0.001 121.022 121.300 -0.465 0.000 2.736 115 W HA 0.515 5.174 4.660 -0.001 0.000 0.355 115 W C -0.636 175.802 176.519 -0.134 0.000 1.102 115 W CA -0.599 56.498 57.345 -0.414 0.000 1.164 115 W CB 0.590 29.804 29.460 -0.409 0.000 1.422 115 W HN -0.121 nan 8.180 nan 0.000 0.572 116 E N 0.609 120.984 120.200 0.291 0.000 2.702 116 E HA 0.346 4.696 4.350 -0.001 0.000 0.225 116 E C 0.397 177.238 176.600 0.402 0.000 0.942 116 E CA -0.049 56.444 56.400 0.156 0.000 1.210 116 E CB 1.559 31.273 29.700 0.023 0.000 1.143 116 E HN 0.642 nan 8.360 nan 0.000 0.544 117 G N 0.806 109.925 108.800 0.530 0.000 2.606 117 G HA2 0.615 4.575 3.960 -0.001 0.000 0.300 117 G HA3 0.615 4.575 3.960 -0.001 0.000 0.300 117 G C -1.616 173.438 174.900 0.256 0.000 1.360 117 G CA -0.825 44.500 45.100 0.376 0.000 0.783 117 G HN 0.133 nan 8.290 nan 0.000 0.484 118 I N -2.090 118.557 120.570 0.129 0.000 2.608 118 I HA 0.837 5.007 4.170 -0.001 0.000 0.295 118 I C -1.497 174.716 176.117 0.161 0.000 1.049 118 I CA -1.310 60.014 61.300 0.041 0.000 1.063 118 I CB 2.391 40.411 38.000 0.032 0.000 1.248 118 I HN 0.467 nan 8.210 nan 0.000 0.424 119 L N 5.793 127.053 121.223 0.061 0.000 2.313 119 L HA 0.688 5.028 4.340 -0.001 0.000 0.273 119 L C 0.204 177.058 176.870 -0.026 0.000 1.028 119 L CA -0.044 54.803 54.840 0.012 0.000 0.871 119 L CB 0.730 42.641 42.059 -0.247 0.000 1.242 119 L HN 0.829 nan 8.230 nan 0.000 0.434 120 G N 4.957 113.798 108.800 0.068 0.000 2.360 120 G HA2 0.385 4.345 3.960 -0.001 0.000 0.279 120 G HA3 0.385 4.345 3.960 -0.001 0.000 0.279 120 G C 0.411 175.317 174.900 0.010 0.000 1.189 120 G CA -0.363 44.770 45.100 0.054 0.000 0.941 120 G HN 0.735 nan 8.290 nan 0.000 0.445 121 L N 2.091 123.280 121.223 -0.057 0.000 2.607 121 L HA 0.266 4.605 4.340 -0.001 0.000 0.228 121 L C 1.955 178.817 176.870 -0.014 0.000 1.123 121 L CA -0.059 54.706 54.840 -0.125 0.000 0.890 121 L CB -0.047 41.761 42.059 -0.418 0.000 1.103 121 L HN 0.586 nan 8.230 nan 0.000 0.468 122 A N -0.851 121.962 122.820 -0.011 0.000 2.260 122 A HA 0.366 4.686 4.320 -0.001 0.000 0.278 122 A C -0.624 176.794 177.584 -0.277 0.000 1.269 122 A CA 0.007 51.916 52.037 -0.214 0.000 0.824 122 A CB 0.024 18.946 19.000 -0.130 0.000 1.238 122 A HN 0.091 nan 8.150 nan 0.000 0.507 123 Y N -2.188 118.012 120.300 -0.167 0.000 2.432 123 Y HA 0.455 5.005 4.550 -0.000 0.000 0.322 123 Y C 1.669 177.566 175.900 -0.006 0.000 1.246 123 Y CA 0.135 58.202 58.100 -0.055 0.000 1.268 123 Y CB 1.105 39.533 38.460 -0.053 0.000 1.276 123 Y HN 0.694 nan 8.280 nan 0.000 0.499 124 A N 0.321 123.271 122.820 0.215 0.000 1.958 124 A HA -0.282 4.037 4.320 -0.001 0.000 0.221 124 A C 1.951 179.601 177.584 0.110 0.000 1.178 124 A CA 2.304 54.422 52.037 0.136 0.000 0.642 124 A CB -0.731 18.343 19.000 0.123 0.000 0.816 124 A HN 0.947 nan 8.150 nan 0.000 0.453 125 E N -0.376 119.900 120.200 0.128 0.000 2.209 125 E HA -0.161 4.189 4.350 -0.001 0.000 0.196 125 E C 1.538 178.201 176.600 0.105 0.000 0.993 125 E CA 1.401 57.864 56.400 0.106 0.000 0.819 125 E CB -0.197 29.575 29.700 0.120 0.000 0.745 125 E HN 0.886 nan 8.360 nan 0.000 0.477 126 I N -3.119 117.492 120.570 0.068 0.000 3.976 126 I HA 0.363 4.533 4.170 -0.001 0.000 0.337 126 I C 0.499 176.620 176.117 0.007 0.000 1.359 126 I CA -0.567 60.731 61.300 -0.003 0.000 1.098 126 I CB 0.449 38.302 38.000 -0.245 0.000 1.027 126 I HN -0.180 nan 8.210 nan 0.000 0.394 127 A N 1.917 124.765 122.820 0.045 0.000 2.524 127 A HA 0.365 4.685 4.320 -0.001 0.000 0.250 127 A C 0.132 177.749 177.584 0.055 0.000 1.078 127 A CA 0.052 52.131 52.037 0.069 0.000 0.761 127 A CB -0.007 19.046 19.000 0.089 0.000 1.012 127 A HN 0.498 nan 8.150 nan 0.000 0.500 128 R N 3.226 123.757 120.500 0.051 0.000 2.404 128 R HA 0.398 4.737 4.340 -0.001 0.000 0.291 128 R C -1.615 174.709 176.300 0.039 0.000 1.025 128 R CA -1.488 54.617 56.100 0.009 0.000 0.991 128 R CB 0.750 31.001 30.300 -0.081 0.000 1.053 128 R HN 0.544 nan 8.270 nan 0.000 0.479 129 P HA -0.024 nan 4.420 nan 0.000 0.224 129 P C -0.858 176.451 177.300 0.015 0.000 1.157 129 P CA 0.954 64.056 63.100 0.003 0.000 0.799 129 P CB 0.308 32.012 31.700 0.007 0.000 0.809 130 D N -1.652 118.766 120.400 0.031 0.000 2.664 130 D HA 0.123 4.763 4.640 -0.001 0.000 0.292 130 D C -0.390 175.937 176.300 0.044 0.000 1.214 130 D CA -0.675 53.345 54.000 0.033 0.000 0.932 130 D CB -0.345 40.470 40.800 0.026 0.000 1.420 130 D HN -0.234 nan 8.370 nan 0.000 0.471 131 D N -1.433 118.993 120.400 0.043 0.000 2.352 131 D HA -0.021 4.619 4.640 -0.001 0.000 0.232 131 D C 0.928 177.260 176.300 0.054 0.000 1.055 131 D CA 0.346 54.377 54.000 0.053 0.000 0.891 131 D CB -0.063 40.766 40.800 0.048 0.000 0.897 131 D HN 0.248 nan 8.370 nan 0.000 0.529 132 S N -0.553 115.175 115.700 0.048 0.000 2.524 132 S HA 0.048 4.517 4.470 -0.001 0.000 0.216 132 S C 0.807 175.441 174.600 0.056 0.000 0.987 132 S CA -0.625 57.603 58.200 0.047 0.000 0.909 132 S CB -0.236 62.986 63.200 0.036 0.000 0.781 132 S HN 0.216 nan 8.310 nan 0.000 0.521 133 L N 3.974 125.237 121.223 0.067 0.000 2.462 133 L HA 0.324 4.664 4.340 -0.001 0.000 0.283 133 L C 0.315 177.242 176.870 0.095 0.000 1.166 133 L CA -0.323 54.568 54.840 0.084 0.000 0.964 133 L CB -0.665 41.452 42.059 0.096 0.000 1.294 133 L HN 0.375 nan 8.230 nan 0.000 0.449 134 E N 6.483 126.734 120.200 0.084 0.000 2.498 134 E HA 0.096 4.446 4.350 -0.001 0.000 0.252 134 E C -2.147 174.515 176.600 0.104 0.000 1.025 134 E CA -1.296 55.153 56.400 0.082 0.000 0.938 134 E CB 0.462 30.196 29.700 0.056 0.000 0.947 134 E HN 0.441 nan 8.360 nan 0.000 0.478 135 P HA -0.062 nan 4.420 nan 0.000 0.270 135 P C 0.009 177.395 177.300 0.144 0.000 1.223 135 P CA -0.223 62.965 63.100 0.147 0.000 0.785 135 P CB 0.348 32.122 31.700 0.123 0.000 0.923 136 F N 1.704 121.674 119.950 0.033 0.000 2.065 136 F HA -0.247 4.280 4.527 -0.001 0.000 0.298 136 F C 1.978 177.748 175.800 -0.051 0.000 1.112 136 F CA 1.629 59.599 58.000 -0.050 0.000 1.212 136 F CB -0.833 38.048 39.000 -0.198 0.000 0.975 136 F HN 0.222 nan 8.300 nan 0.000 0.476 137 F N 1.239 121.085 119.950 -0.173 0.000 2.234 137 F HA -0.129 4.398 4.527 -0.000 0.000 0.299 137 F C 1.983 177.644 175.800 -0.232 0.000 1.087 137 F CA 1.845 59.682 58.000 -0.271 0.000 1.340 137 F CB -0.550 38.391 39.000 -0.098 0.000 1.031 137 F HN 0.003 nan 8.300 nan 0.000 0.500 138 D N -0.674 119.736 120.400 0.018 0.000 2.097 138 D HA -0.168 4.472 4.640 -0.001 0.000 0.195 138 D C 2.405 178.620 176.300 -0.142 0.000 0.989 138 D CA 1.655 55.654 54.000 -0.002 0.000 0.827 138 D CB -0.694 40.144 40.800 0.063 0.000 0.966 138 D HN 0.133 nan 8.370 nan 0.000 0.456 139 S N 0.209 115.787 115.700 -0.203 0.000 2.383 139 S HA -0.128 4.342 4.470 -0.001 0.000 0.229 139 S C 1.741 176.113 174.600 -0.381 0.000 1.030 139 S CA 0.439 58.492 58.200 -0.246 0.000 1.002 139 S CB -0.290 62.781 63.200 -0.216 0.000 0.829 139 S HN 0.187 nan 8.310 nan 0.000 0.467 140 L N 1.836 122.673 121.223 -0.643 0.000 1.994 140 L HA -0.020 4.319 4.340 -0.001 0.000 0.208 140 L C 2.196 178.779 176.870 -0.479 0.000 1.071 140 L CA 1.727 56.142 54.840 -0.709 0.000 0.745 140 L CB -0.864 40.528 42.059 -1.112 0.000 0.892 140 L HN 0.136 nan 8.230 nan 0.000 0.431 141 V N -0.169 119.463 119.914 -0.469 0.000 2.343 141 V HA -0.275 3.844 4.120 -0.001 0.000 0.247 141 V C 2.605 178.610 176.094 -0.148 0.000 1.051 141 V CA 2.072 64.220 62.300 -0.254 0.000 1.036 141 V CB -0.724 31.023 31.823 -0.128 0.000 0.654 141 V HN 0.499 nan 8.190 nan 0.000 0.451 142 K N -0.593 119.721 120.400 -0.143 0.000 2.365 142 K HA -0.105 4.214 4.320 -0.001 0.000 0.199 142 K C 1.871 178.408 176.600 -0.105 0.000 1.045 142 K CA 1.040 57.274 56.287 -0.089 0.000 0.962 142 K CB 0.086 32.547 32.500 -0.067 0.000 0.759 142 K HN 0.540 nan 8.250 nan 0.000 0.469 143 Q N -0.552 119.156 119.800 -0.153 0.000 2.189 143 Q HA 0.056 4.396 4.340 -0.001 0.000 0.223 143 Q C -0.093 175.788 176.000 -0.198 0.000 0.828 143 Q CA 0.119 55.829 55.803 -0.154 0.000 0.967 143 Q CB 1.659 30.309 28.738 -0.147 0.000 1.139 143 Q HN 0.270 nan 8.270 nan 0.000 0.497 144 T N -3.619 110.804 114.554 -0.218 0.000 2.742 144 T HA 0.289 4.639 4.350 -0.001 0.000 0.282 144 T C 0.118 174.677 174.700 -0.234 0.000 1.025 144 T CA -0.732 61.214 62.100 -0.256 0.000 1.020 144 T CB 1.085 69.843 68.868 -0.183 0.000 1.317 144 T HN -0.018 nan 8.240 nan 0.000 0.538 145 H N -0.487 118.559 119.070 -0.040 0.000 2.505 145 H HA 0.422 4.978 4.556 -0.001 0.000 0.289 145 H C 0.129 175.454 175.328 -0.006 0.000 1.052 145 H CA -0.262 55.775 56.048 -0.018 0.000 1.156 145 H CB -0.274 29.485 29.762 -0.005 0.000 1.507 145 H HN 0.281 nan 8.280 nan 0.000 0.548 146 V N 4.275 124.221 119.914 0.052 0.000 2.479 146 V HA 0.074 4.193 4.120 -0.001 0.000 0.281 146 V C -1.779 174.348 176.094 0.056 0.000 1.031 146 V CA -1.271 61.052 62.300 0.040 0.000 1.038 146 V CB 0.903 32.691 31.823 -0.058 0.000 0.981 146 V HN 0.149 nan 8.190 nan 0.000 0.478 147 P HA 0.086 nan 4.420 nan 0.000 0.269 147 P C -0.144 177.279 177.300 0.205 0.000 1.215 147 P CA -0.399 62.783 63.100 0.137 0.000 0.780 147 P CB 0.367 32.153 31.700 0.143 0.000 0.898 148 N N 2.291 121.123 118.700 0.220 0.000 3.103 148 N HA 0.179 4.919 4.740 -0.001 0.000 0.305 148 N C -0.687 175.021 175.510 0.330 0.000 1.232 148 N CA 0.027 53.293 53.050 0.361 0.000 1.190 148 N CB -1.290 37.353 38.487 0.260 0.000 1.461 148 N HN 0.372 nan 8.380 nan 0.000 0.538 149 L N -1.179 120.270 121.223 0.376 0.000 2.653 149 L HA 0.726 5.066 4.340 -0.001 0.000 0.257 149 L C -1.643 175.355 176.870 0.214 0.000 0.969 149 L CA -1.151 53.767 54.840 0.130 0.000 0.869 149 L CB 1.254 43.320 42.059 0.011 0.000 1.439 149 L HN -0.020 nan 8.230 nan 0.000 0.414 150 F N -0.075 119.803 119.950 -0.120 0.000 2.629 150 F HA 0.965 5.492 4.527 -0.000 0.000 0.316 150 F C -0.762 174.963 175.800 -0.125 0.000 1.081 150 F CA -0.604 57.329 58.000 -0.112 0.000 0.954 150 F CB 1.582 40.476 39.000 -0.177 0.000 1.337 150 F HN 0.664 nan 8.300 nan 0.000 0.474 151 S N 1.425 117.089 115.700 -0.059 0.000 2.570 151 S HA 0.856 5.326 4.470 -0.001 0.000 0.286 151 S C -1.448 173.137 174.600 -0.024 0.000 1.099 151 S CA -0.872 57.184 58.200 -0.241 0.000 0.913 151 S CB 2.044 64.917 63.200 -0.545 0.000 1.085 151 S HN 0.812 nan 8.310 nan 0.000 0.480 152 L N 1.550 122.719 121.223 -0.089 0.000 2.409 152 L HA 0.540 4.879 4.340 -0.001 0.000 0.272 152 L C -0.637 176.289 176.870 0.094 0.000 0.980 152 L CA -0.321 54.541 54.840 0.037 0.000 0.826 152 L CB 2.080 44.172 42.059 0.055 0.000 1.268 152 L HN 0.750 nan 8.230 nan 0.000 0.407 153 Q N 4.945 124.838 119.800 0.155 0.000 2.381 153 Q HA 0.513 4.853 4.340 -0.001 0.000 0.263 153 Q C -1.692 174.277 176.000 -0.051 0.000 1.030 153 Q CA -0.591 55.297 55.803 0.142 0.000 0.772 153 Q CB 1.383 30.221 28.738 0.166 0.000 1.232 153 Q HN 0.613 nan 8.270 nan 0.000 0.476 154 L N 3.872 125.005 121.223 -0.150 0.000 2.272 154 L HA 0.456 4.796 4.340 -0.001 0.000 0.289 154 L C -0.031 176.758 176.870 -0.135 0.000 1.032 154 L CA -0.715 53.879 54.840 -0.410 0.000 0.810 154 L CB 0.992 42.636 42.059 -0.692 0.000 1.205 154 L HN 0.762 nan 8.230 nan 0.000 0.422 155 c N 0.995 119.598 118.600 0.005 0.000 2.451 155 c HA 0.814 5.384 4.570 -0.001 0.000 0.102 155 c C 1.003 175.194 174.090 0.168 0.000 2.708 155 c CA 0.114 56.497 56.329 0.090 0.000 1.944 155 c CB 0.451 43.005 42.510 0.072 0.000 2.859 155 c HN 1.020 nan 8.230 nan 0.000 0.331 156 G N 0.312 109.190 108.800 0.129 0.000 2.858 156 G HA2 0.466 4.425 3.960 -0.001 0.000 0.272 156 G HA3 0.466 4.425 3.960 -0.001 0.000 0.272 156 G C 0.010 174.954 174.900 0.073 0.000 1.003 156 G CA -0.019 45.148 45.100 0.111 0.000 1.241 156 G HN 2.328 nan 8.290 nan 0.000 0.569 170 V N 0.061 119.951 119.914 -0.040 0.000 3.232 170 V HA 0.915 5.035 4.120 -0.001 0.000 0.303 170 V C 0.548 176.645 176.094 0.005 0.000 1.311 170 V CA 0.127 62.422 62.300 -0.007 0.000 1.061 170 V CB 1.824 33.637 31.823 -0.016 0.000 1.085 170 V HN 1.274 nan 8.190 nan 0.000 0.447 171 G N -0.964 107.894 108.800 0.097 0.000 2.975 171 G HA2 0.930 4.889 3.960 -0.001 0.000 0.291 171 G HA3 0.930 4.889 3.960 -0.001 0.000 0.291 171 G C -0.441 174.562 174.900 0.171 0.000 1.334 171 G CA -0.112 45.050 45.100 0.103 0.000 0.843 171 G HN 1.581 nan 8.290 nan 0.000 0.548 172 G N -1.808 107.032 108.800 0.067 0.000 2.321 172 G HA2 0.548 4.508 3.960 -0.001 0.000 0.296 172 G HA3 0.548 4.508 3.960 -0.001 0.000 0.296 172 G C -1.500 173.394 174.900 -0.010 0.000 1.287 172 G CA 0.177 45.280 45.100 0.005 0.000 0.846 172 G HN 1.264 nan 8.290 nan 0.000 0.508 173 S N -0.236 115.458 115.700 -0.011 0.000 2.571 173 S HA 0.623 5.092 4.470 -0.001 0.000 0.284 173 S C -0.556 174.066 174.600 0.036 0.000 1.128 173 S CA -0.475 57.734 58.200 0.016 0.000 0.970 173 S CB 1.624 64.842 63.200 0.031 0.000 1.039 173 S HN 0.773 nan 8.310 nan 0.000 0.485 174 M N 4.960 124.580 119.600 0.034 0.000 2.044 174 M HA 0.477 4.956 4.480 -0.001 0.000 0.333 174 M C -1.579 174.759 176.300 0.063 0.000 1.004 174 M CA -0.664 54.666 55.300 0.052 0.000 0.954 174 M CB 0.160 32.768 32.600 0.014 0.000 1.468 174 M HN 0.446 nan 8.290 nan 0.000 0.414 175 I N 6.962 127.568 120.570 0.060 0.000 2.287 175 I HA 0.277 4.446 4.170 -0.001 0.000 0.290 175 I C 0.002 176.107 176.117 -0.021 0.000 1.069 175 I CA -0.308 60.964 61.300 -0.046 0.000 1.237 175 I CB -0.060 37.845 38.000 -0.158 0.000 1.418 175 I HN 0.701 nan 8.210 nan 0.000 0.481 176 I N 5.331 125.928 120.570 0.046 0.000 2.371 176 I HA 0.336 4.506 4.170 -0.001 0.000 0.290 176 I C 1.273 177.458 176.117 0.114 0.000 1.028 176 I CA 0.262 61.672 61.300 0.183 0.000 1.345 176 I CB 1.292 39.414 38.000 0.203 0.000 1.407 176 I HN 0.864 nan 8.210 nan 0.000 0.501 177 G N 4.284 113.200 108.800 0.194 0.000 2.213 177 G HA2 -0.141 3.819 3.960 -0.001 0.000 0.236 177 G HA3 -0.141 3.819 3.960 -0.001 0.000 0.236 177 G C 0.294 175.254 174.900 0.100 0.000 0.991 177 G CA -0.156 45.057 45.100 0.188 0.000 0.629 177 G HN 1.132 nan 8.290 nan 0.000 0.517 178 G N -1.108 107.587 108.800 -0.175 0.000 2.510 178 G HA2 0.621 4.580 3.960 -0.001 0.000 0.277 178 G HA3 0.621 4.580 3.960 -0.001 0.000 0.277 178 G C -1.538 173.163 174.900 -0.331 0.000 1.223 178 G CA -0.187 44.799 45.100 -0.190 0.000 0.887 178 G HN 0.770 nan 8.290 nan 0.000 0.485 179 I N 0.453 120.906 120.570 -0.195 0.000 2.740 179 I HA 0.514 4.683 4.170 -0.001 0.000 0.303 179 I C -1.441 174.604 176.117 -0.120 0.000 1.044 179 I CA -0.665 60.614 61.300 -0.034 0.000 1.064 179 I CB 2.496 40.552 38.000 0.092 0.000 1.249 179 I HN 0.376 nan 8.210 nan 0.000 0.433 180 D N 2.800 123.178 120.400 -0.037 0.000 2.542 180 D HA 0.258 4.898 4.640 -0.001 0.000 0.252 180 D C 0.520 176.702 176.300 -0.196 0.000 1.222 180 D CA -0.328 53.577 54.000 -0.158 0.000 0.895 180 D CB 0.911 41.693 40.800 -0.030 0.000 1.207 180 D HN 0.462 nan 8.370 nan 0.000 0.558 181 H N 1.614 120.712 119.070 0.046 0.000 2.524 181 H HA -0.047 4.509 4.556 -0.001 0.000 0.282 181 H C 1.700 176.821 175.328 -0.345 0.000 1.016 181 H CA 1.093 57.033 56.048 -0.180 0.000 1.270 181 H CB 0.057 29.736 29.762 -0.138 0.000 1.394 181 H HN 0.398 nan 8.280 nan 0.000 0.568 182 S N 0.639 116.272 115.700 -0.112 0.000 2.555 182 S HA 0.004 4.474 4.470 -0.001 0.000 0.230 182 S C 1.791 176.282 174.600 -0.181 0.000 0.978 182 S CA 0.267 58.391 58.200 -0.128 0.000 0.934 182 S CB -0.460 62.703 63.200 -0.061 0.000 0.766 182 S HN 0.297 nan 8.310 nan 0.000 0.533 183 L N -0.079 120.973 121.223 -0.285 0.000 2.616 183 L HA 0.376 4.716 4.340 -0.001 0.000 0.229 183 L C 0.328 177.059 176.870 -0.232 0.000 1.110 183 L CA -0.329 54.300 54.840 -0.351 0.000 0.884 183 L CB -0.096 41.549 42.059 -0.689 0.000 1.115 183 L HN 0.571 nan 8.230 nan 0.000 0.481 184 Y N -2.150 117.978 120.300 -0.287 0.000 2.609 184 Y HA 0.699 5.248 4.550 -0.001 0.000 0.342 184 Y C -0.257 175.624 175.900 -0.032 0.000 1.058 184 Y CA -1.307 56.733 58.100 -0.101 0.000 1.055 184 Y CB 1.080 39.551 38.460 0.018 0.000 1.292 184 Y HN -0.105 nan 8.280 nan 0.000 0.476 185 T N -0.618 113.994 114.554 0.096 0.000 2.912 185 T HA 0.744 5.094 4.350 -0.001 0.000 0.288 185 T C 0.529 175.328 174.700 0.164 0.000 1.030 185 T CA -0.121 61.992 62.100 0.021 0.000 1.020 185 T CB 1.036 69.904 68.868 0.000 0.000 1.056 185 T HN 2.115 nan 8.240 nan 0.000 0.480 186 G N 1.459 110.318 108.800 0.098 0.000 2.552 186 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.265 186 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.265 186 G C 0.026 175.071 174.900 0.242 0.000 1.234 186 G CA -0.005 45.182 45.100 0.144 0.000 0.944 186 G HN 1.427 nan 8.290 nan 0.000 0.568 187 S N -1.011 114.823 115.700 0.223 0.000 2.549 187 S HA 0.686 5.156 4.470 -0.001 0.000 0.297 187 S C 0.225 174.853 174.600 0.046 0.000 1.115 187 S CA -0.599 57.680 58.200 0.133 0.000 1.059 187 S CB 0.958 64.161 63.200 0.005 0.000 1.046 187 S HN 0.731 nan 8.310 nan 0.000 0.506 188 L N 3.968 125.074 121.223 -0.194 0.000 2.360 188 L HA 0.350 4.690 4.340 -0.001 0.000 0.276 188 L C -0.967 175.479 176.870 -0.707 0.000 1.121 188 L CA -0.184 54.375 54.840 -0.469 0.000 0.845 188 L CB 0.471 42.134 42.059 -0.661 0.000 1.143 188 L HN 0.684 nan 8.230 nan 0.000 0.452 189 W N 2.822 123.678 121.300 -0.740 0.000 2.666 189 W HA 0.464 5.124 4.660 -0.001 0.000 0.334 189 W C -0.780 175.060 176.519 -1.131 0.000 1.051 189 W CA -0.257 56.493 57.345 -0.992 0.000 1.224 189 W CB 1.179 29.816 29.460 -1.373 0.000 1.405 189 W HN 0.169 nan 8.180 nan 0.000 0.513 190 Y N 1.212 121.269 120.300 -0.405 0.000 2.364 190 Y HA 0.507 5.056 4.550 -0.001 0.000 0.340 190 Y C 0.389 176.407 175.900 0.198 0.000 0.975 190 Y CA -1.005 57.035 58.100 -0.100 0.000 1.089 190 Y CB 2.217 40.617 38.460 -0.101 0.000 1.192 190 Y HN 0.145 nan 8.280 nan 0.000 0.454 191 T N 5.180 120.051 114.554 0.529 0.000 2.829 191 T HA 0.509 4.859 4.350 -0.001 0.000 0.280 191 T C -2.847 172.027 174.700 0.289 0.000 0.999 191 T CA -2.594 59.791 62.100 0.475 0.000 0.983 191 T CB 1.007 70.146 68.868 0.451 0.000 0.968 191 T HN 0.224 nan 8.240 nan 0.000 0.446 192 P HA 0.210 nan 4.420 nan 0.000 0.268 192 P C -0.424 176.980 177.300 0.172 0.000 1.205 192 P CA -0.066 63.130 63.100 0.162 0.000 0.771 192 P CB 0.220 32.001 31.700 0.135 0.000 0.858 193 I N 3.871 124.541 120.570 0.167 0.000 2.406 193 I HA 0.065 4.234 4.170 -0.001 0.000 0.293 193 I C 2.013 178.224 176.117 0.156 0.000 1.101 193 I CA 0.153 61.573 61.300 0.199 0.000 1.334 193 I CB 0.172 38.311 38.000 0.233 0.000 1.421 193 I HN 0.435 nan 8.210 nan 0.000 0.513 194 R N 5.795 126.402 120.500 0.179 0.000 2.091 194 R HA -0.051 4.289 4.340 -0.001 0.000 0.238 194 R C 0.804 177.187 176.300 0.138 0.000 1.136 194 R CA 1.400 57.596 56.100 0.158 0.000 0.959 194 R CB 0.262 30.676 30.300 0.190 0.000 0.856 194 R HN 0.600 nan 8.270 nan 0.000 0.437 195 R N -0.448 120.171 120.500 0.197 0.000 2.643 195 R HA 0.110 4.450 4.340 -0.001 0.000 0.269 195 R C -1.537 174.855 176.300 0.155 0.000 1.037 195 R CA -0.526 55.650 56.100 0.127 0.000 0.894 195 R CB 1.588 31.922 30.300 0.057 0.000 1.238 195 R HN 0.063 nan 8.270 nan 0.000 0.459 196 E N 4.285 124.399 120.200 -0.144 0.000 1.892 196 E HA 0.075 4.425 4.350 -0.001 0.000 0.271 196 E C -0.216 176.264 176.600 -0.199 0.000 1.146 196 E CA -0.089 55.909 56.400 -0.671 0.000 1.096 196 E CB 0.240 29.251 29.700 -1.149 0.000 1.155 196 E HN 0.446 nan 8.360 nan 0.000 0.458 197 W N 0.958 122.152 121.300 -0.177 0.000 4.467 197 W HA 0.193 4.853 4.660 -0.001 0.000 0.171 197 W C 0.033 176.512 176.519 -0.068 0.000 3.245 197 W CA -0.298 57.008 57.345 -0.063 0.000 1.578 197 W CB -0.829 28.609 29.460 -0.036 0.000 1.993 197 W HN 0.004 nan 8.180 nan 0.000 0.440 198 Y N 0.651 120.706 120.300 -0.409 0.000 2.258 198 Y HA 0.168 4.717 4.550 -0.001 0.000 0.345 198 Y C -0.061 175.723 175.900 -0.193 0.000 1.303 198 Y CA -0.041 57.834 58.100 -0.375 0.000 1.537 198 Y CB -0.107 37.991 38.460 -0.603 0.000 1.383 198 Y HN -0.156 nan 8.280 nan 0.000 0.606 199 Y N 0.836 121.307 120.300 0.285 0.000 2.632 199 Y HA 0.134 4.684 4.550 -0.001 0.000 0.336 199 Y C 0.335 176.362 175.900 0.212 0.000 1.237 199 Y CA -0.483 57.804 58.100 0.312 0.000 1.595 199 Y CB -0.346 38.343 38.460 0.381 0.000 1.508 199 Y HN 0.412 nan 8.280 nan 0.000 0.480 200 E N 2.691 123.057 120.200 0.277 0.000 2.259 200 E HA 0.490 4.839 4.350 -0.001 0.000 0.281 200 E C -0.821 175.917 176.600 0.229 0.000 1.027 200 E CA -0.543 55.986 56.400 0.215 0.000 0.838 200 E CB 0.890 30.760 29.700 0.282 0.000 1.066 200 E HN 0.417 nan 8.360 nan 0.000 0.401 201 V N 1.624 121.648 119.914 0.183 0.000 3.141 201 V HA 0.618 4.737 4.120 -0.001 0.000 0.312 201 V C -0.469 175.700 176.094 0.125 0.000 1.157 201 V CA -0.994 61.404 62.300 0.163 0.000 1.041 201 V CB 1.748 33.671 31.823 0.166 0.000 1.071 201 V HN 0.571 nan 8.190 nan 0.000 0.441 202 I N 2.357 122.988 120.570 0.102 0.000 2.382 202 I HA 0.466 4.636 4.170 -0.001 0.000 0.286 202 I C -0.447 175.691 176.117 0.035 0.000 1.002 202 I CA -0.449 60.903 61.300 0.088 0.000 1.135 202 I CB 1.661 39.721 38.000 0.100 0.000 1.288 202 I HN 0.499 nan 8.210 nan 0.000 0.448 203 I N 6.556 127.147 120.570 0.035 0.000 2.474 203 I HA 0.089 4.259 4.170 -0.001 0.000 0.287 203 I C 1.165 177.324 176.117 0.071 0.000 1.048 203 I CA -0.151 61.135 61.300 -0.023 0.000 1.383 203 I CB 1.508 39.469 38.000 -0.065 0.000 1.412 203 I HN 0.516 nan 8.210 nan 0.000 0.531 204 V N 2.631 122.556 119.914 0.019 0.000 3.604 204 V HA 0.388 4.508 4.120 -0.001 0.000 0.277 204 V C 0.412 176.546 176.094 0.067 0.000 1.399 204 V CA -0.039 62.305 62.300 0.074 0.000 1.034 204 V CB 0.075 31.911 31.823 0.022 0.000 0.824 204 V HN 0.906 nan 8.190 nan 0.000 0.439 205 R N -0.262 120.194 120.500 -0.074 0.000 2.634 205 R HA 0.683 5.022 4.340 -0.001 0.000 0.263 205 R C -2.471 173.613 176.300 -0.359 0.000 1.060 205 R CA -0.346 55.653 56.100 -0.169 0.000 0.898 205 R CB 2.595 32.615 30.300 -0.465 0.000 1.253 205 R HN 0.034 nan 8.270 nan 0.000 0.461 206 V N 2.236 121.865 119.914 -0.476 0.000 2.769 206 V HA 0.556 4.675 4.120 -0.001 0.000 0.312 206 V C -0.641 175.362 176.094 -0.151 0.000 1.061 206 V CA -0.692 61.387 62.300 -0.368 0.000 0.931 206 V CB 2.077 33.556 31.823 -0.573 0.000 1.010 206 V HN 0.809 nan 8.190 nan 0.000 0.433 207 E N 2.381 122.537 120.200 -0.074 0.000 2.314 207 E HA 0.591 4.941 4.350 -0.001 0.000 0.272 207 E C -1.782 174.792 176.600 -0.043 0.000 0.884 207 E CA -0.771 55.608 56.400 -0.034 0.000 0.753 207 E CB 2.714 32.431 29.700 0.028 0.000 1.213 207 E HN 0.469 nan 8.360 nan 0.000 0.432 208 I N 2.974 123.527 120.570 -0.027 0.000 2.354 208 I HA 0.231 4.401 4.170 -0.001 0.000 0.286 208 I C 0.945 177.073 176.117 0.018 0.000 1.007 208 I CA 0.307 61.599 61.300 -0.013 0.000 1.167 208 I CB 0.453 38.447 38.000 -0.010 0.000 1.320 208 I HN 0.768 nan 8.210 nan 0.000 0.458 209 N N 4.151 122.872 118.700 0.035 0.000 1.910 209 N HA -0.227 4.513 4.740 -0.001 0.000 0.214 209 N C 1.134 176.668 175.510 0.040 0.000 1.113 209 N CA 1.315 54.397 53.050 0.055 0.000 3.595 209 N CB -0.931 37.595 38.487 0.066 0.000 0.733 209 N HN 0.874 nan 8.380 nan 0.000 0.352 210 G N 0.022 108.838 108.800 0.027 0.000 4.446 210 G HA2 0.173 4.132 3.960 -0.001 0.000 0.205 210 G HA3 0.173 4.132 3.960 -0.001 0.000 0.205 210 G C -0.903 174.005 174.900 0.014 0.000 0.820 210 G CA -0.229 44.886 45.100 0.025 0.000 0.792 210 G HN 0.314 nan 8.290 nan 0.000 0.525 211 Q N 1.484 121.287 119.800 0.004 0.000 2.337 211 Q HA 0.370 4.710 4.340 -0.001 0.000 0.270 211 Q C -0.488 175.500 176.000 -0.019 0.000 1.043 211 Q CA -1.025 54.773 55.803 -0.007 0.000 0.794 211 Q CB 2.492 31.228 28.738 -0.004 0.000 1.281 211 Q HN 0.362 nan 8.270 nan 0.000 0.446 212 D N 1.779 122.159 120.400 -0.033 0.000 2.063 212 D HA 0.034 4.673 4.640 -0.001 0.000 0.289 212 D C 0.412 176.706 176.300 -0.010 0.000 1.111 212 D CA -0.027 53.949 54.000 -0.040 0.000 1.023 212 D CB 0.553 41.304 40.800 -0.082 0.000 1.152 212 D HN 0.411 nan 8.370 nan 0.000 0.465 213 L N -1.546 119.686 121.223 0.015 0.000 3.659 213 L HA 0.128 4.468 4.340 -0.001 0.000 0.372 213 L C -0.399 176.492 176.870 0.035 0.000 1.332 213 L CA -0.287 54.578 54.840 0.042 0.000 1.045 213 L CB -0.107 42.020 42.059 0.112 0.000 1.360 213 L HN 0.178 nan 8.230 nan 0.000 0.600 214 K N 1.304 121.706 120.400 0.004 0.000 4.443 214 K HA -0.188 4.131 4.320 -0.001 0.000 0.267 214 K C 0.150 176.727 176.600 -0.037 0.000 0.703 214 K CA 0.852 57.129 56.287 -0.017 0.000 0.526 214 K CB -0.722 31.762 32.500 -0.027 0.000 2.148 214 K HN 0.373 nan 8.250 nan 0.000 0.396 215 M N 1.362 120.937 119.600 -0.042 0.000 2.294 215 M HA 0.073 4.553 4.480 -0.001 0.000 0.335 215 M C -0.303 175.819 176.300 -0.297 0.000 1.079 215 M CA -0.742 54.461 55.300 -0.162 0.000 0.982 215 M CB 1.104 33.595 32.600 -0.181 0.000 1.651 215 M HN 0.047 nan 8.290 nan 0.000 0.437 216 D N 3.927 124.176 120.400 -0.252 0.000 2.662 216 D HA -0.086 4.553 4.640 -0.001 0.000 0.237 216 D C 1.304 177.348 176.300 -0.426 0.000 1.154 216 D CA 0.024 53.879 54.000 -0.242 0.000 0.861 216 D CB 0.652 41.347 40.800 -0.174 0.000 1.146 216 D HN 0.833 nan 8.370 nan 0.000 0.518 217 c N 3.734 122.136 118.600 -0.329 0.000 2.410 217 c HA -0.096 4.474 4.570 -0.001 0.000 0.281 217 c C 2.305 176.275 174.090 -0.200 0.000 1.318 217 c CA 0.334 56.468 56.329 -0.325 0.000 1.776 217 c CB -0.760 41.788 42.510 0.064 0.000 1.942 217 c HN 0.705 nan 8.230 nan 0.000 0.508 218 K N 0.775 121.101 120.400 -0.122 0.000 2.286 218 K HA -0.146 4.174 4.320 -0.001 0.000 0.203 218 K C 2.160 178.753 176.600 -0.012 0.000 1.045 218 K CA 1.588 57.863 56.287 -0.020 0.000 0.935 218 K CB -0.046 32.444 32.500 -0.017 0.000 0.737 218 K HN 0.590 nan 8.250 nan 0.000 0.460 219 E N -0.150 119.955 120.200 -0.159 0.000 2.028 219 E HA -0.185 4.165 4.350 -0.001 0.000 0.190 219 E C 1.848 178.467 176.600 0.031 0.000 0.984 219 E CA 1.323 57.660 56.400 -0.104 0.000 0.800 219 E CB -0.589 28.983 29.700 -0.214 0.000 0.758 219 E HN 0.518 nan 8.360 nan 0.000 0.448 220 Y N 1.351 121.688 120.300 0.061 0.000 2.332 220 Y HA -0.179 4.371 4.550 -0.001 0.000 0.283 220 Y C 1.127 177.065 175.900 0.065 0.000 1.186 220 Y CA 0.709 58.839 58.100 0.049 0.000 1.266 220 Y CB -0.099 38.370 38.460 0.014 0.000 0.973 220 Y HN 0.051 nan 8.280 nan 0.000 0.548 221 N N -1.308 117.529 118.700 0.228 0.000 2.433 221 N HA 0.008 4.748 4.740 -0.001 0.000 0.270 221 N C -1.313 174.324 175.510 0.212 0.000 1.354 221 N CA -0.150 53.014 53.050 0.191 0.000 0.889 221 N CB 0.212 38.812 38.487 0.189 0.000 1.285 221 N HN 0.170 nan 8.380 nan 0.000 0.503 222 Y N 2.979 123.296 120.300 0.028 0.000 2.385 222 Y HA 0.176 4.726 4.550 -0.000 0.000 0.341 222 Y C 0.695 176.519 175.900 -0.126 0.000 0.965 222 Y CA -1.445 56.610 58.100 -0.075 0.000 1.180 222 Y CB 0.508 38.933 38.460 -0.058 0.000 1.139 222 Y HN 0.052 nan 8.280 nan 0.000 0.502 223 D N 4.099 124.184 120.400 -0.525 0.000 2.342 223 D HA 0.124 4.763 4.640 -0.001 0.000 0.221 223 D C -0.274 176.015 176.300 -0.018 0.000 1.101 223 D CA 0.055 53.824 54.000 -0.386 0.000 0.837 223 D CB 0.371 40.807 40.800 -0.605 0.000 0.938 223 D HN 0.374 nan 8.370 nan 0.000 0.508 224 K N -0.469 119.924 120.400 -0.012 0.000 2.572 224 K HA 0.338 4.658 4.320 -0.001 0.000 0.263 224 K C -1.798 174.798 176.600 -0.006 0.000 0.932 224 K CA -0.500 55.794 56.287 0.011 0.000 0.838 224 K CB 2.266 34.682 32.500 -0.139 0.000 1.366 224 K HN -0.173 nan 8.250 nan 0.000 0.425 225 S N 2.695 118.410 115.700 0.025 0.000 2.557 225 S HA 0.664 5.134 4.470 -0.001 0.000 0.291 225 S C -0.962 173.644 174.600 0.010 0.000 1.116 225 S CA -0.779 57.429 58.200 0.013 0.000 0.992 225 S CB 0.915 64.148 63.200 0.054 0.000 1.028 225 S HN 0.534 nan 8.310 nan 0.000 0.484 226 I N -0.469 120.095 120.570 -0.010 0.000 2.969 226 I HA 0.800 4.970 4.170 -0.001 0.000 0.307 226 I C -1.411 174.771 176.117 0.108 0.000 1.149 226 I CA -1.191 60.130 61.300 0.036 0.000 1.008 226 I CB 1.928 39.869 38.000 -0.098 0.000 1.232 226 I HN 0.275 nan 8.210 nan 0.000 0.435 227 V N 2.854 122.897 119.914 0.216 0.000 2.347 227 V HA 0.453 4.573 4.120 -0.001 0.000 0.280 227 V C -0.949 175.297 176.094 0.254 0.000 1.021 227 V CA 0.014 62.460 62.300 0.244 0.000 0.847 227 V CB 0.979 32.971 31.823 0.283 0.000 0.990 227 V HN 0.728 nan 8.190 nan 0.000 0.444 228 D N 2.848 123.352 120.400 0.174 0.000 2.402 228 D HA 0.205 4.844 4.640 -0.001 0.000 0.252 228 D C 1.067 177.423 176.300 0.095 0.000 1.294 228 D CA -0.115 53.964 54.000 0.131 0.000 0.948 228 D CB 2.015 42.874 40.800 0.097 0.000 1.202 228 D HN 0.508 nan 8.370 nan 0.000 0.561 229 S N 1.219 116.959 115.700 0.066 0.000 2.507 229 S HA -0.013 4.456 4.470 -0.001 0.000 0.235 229 S C 1.670 176.294 174.600 0.040 0.000 0.988 229 S CA 0.694 58.920 58.200 0.042 0.000 0.944 229 S CB 0.125 63.314 63.200 -0.018 0.000 0.762 229 S HN 0.389 nan 8.310 nan 0.000 0.526 230 G N 0.321 109.132 108.800 0.018 0.000 3.189 230 G HA2 0.324 4.284 3.960 -0.001 0.000 0.225 230 G HA3 0.324 4.284 3.960 -0.001 0.000 0.225 230 G C 0.015 174.912 174.900 -0.004 0.000 1.159 230 G CA -0.147 44.944 45.100 -0.016 0.000 0.763 230 G HN 0.472 nan 8.290 nan 0.000 0.549 231 T N -0.049 114.520 114.554 0.025 0.000 2.797 231 T HA 0.374 4.724 4.350 -0.001 0.000 0.279 231 T C 1.202 175.924 174.700 0.037 0.000 0.991 231 T CA -0.354 61.757 62.100 0.019 0.000 0.979 231 T CB 2.059 70.938 68.868 0.017 0.000 0.943 231 T HN -0.061 nan 8.240 nan 0.000 0.444 232 T N 2.695 117.266 114.554 0.028 0.000 2.770 232 T HA 0.015 4.365 4.350 -0.001 0.000 0.263 232 T C 0.993 175.717 174.700 0.040 0.000 1.039 232 T CA 0.928 63.054 62.100 0.044 0.000 1.142 232 T CB -0.164 68.722 68.868 0.031 0.000 0.868 232 T HN 0.500 nan 8.240 nan 0.000 0.435 233 N N 1.009 119.716 118.700 0.012 0.000 2.424 233 N HA 0.268 5.008 4.740 -0.001 0.000 0.257 233 N C -0.754 174.757 175.510 0.001 0.000 1.250 233 N CA -0.471 52.573 53.050 -0.010 0.000 0.946 233 N CB 0.663 39.122 38.487 -0.046 0.000 1.175 233 N HN 0.164 nan 8.380 nan 0.000 0.477 234 L N 2.070 123.286 121.223 -0.011 0.000 2.315 234 L HA 0.240 4.580 4.340 -0.001 0.000 0.283 234 L C -0.503 176.348 176.870 -0.032 0.000 1.089 234 L CA -0.075 54.759 54.840 -0.009 0.000 0.833 234 L CB -0.016 42.036 42.059 -0.013 0.000 1.170 234 L HN 0.477 nan 8.230 nan 0.000 0.442 235 R N 6.278 126.763 120.500 -0.025 0.000 2.393 235 R HA 0.584 4.924 4.340 -0.001 0.000 0.315 235 R C -1.186 175.108 176.300 -0.011 0.000 0.952 235 R CA -0.700 55.376 56.100 -0.041 0.000 0.842 235 R CB 1.867 32.131 30.300 -0.059 0.000 1.163 235 R HN 0.609 nan 8.270 nan 0.000 0.450 236 L N 4.024 125.263 121.223 0.026 0.000 2.334 236 L HA 0.581 4.921 4.340 -0.001 0.000 0.273 236 L C -2.237 174.690 176.870 0.095 0.000 1.013 236 L CA -2.607 52.291 54.840 0.097 0.000 0.816 236 L CB 1.710 43.891 42.059 0.203 0.000 1.278 236 L HN 0.273 nan 8.230 nan 0.000 0.431 237 P HA 0.132 nan 4.420 nan 0.000 0.273 237 P C -0.126 177.278 177.300 0.174 0.000 1.250 237 P CA -0.381 62.782 63.100 0.105 0.000 0.793 237 P CB 0.703 32.480 31.700 0.129 0.000 1.011 238 K N 0.593 121.084 120.400 0.152 0.000 1.991 238 K HA -0.183 4.137 4.320 -0.001 0.000 0.212 238 K C 1.870 178.599 176.600 0.216 0.000 1.049 238 K CA 1.787 58.194 56.287 0.200 0.000 0.932 238 K CB -0.360 32.227 32.500 0.144 0.000 0.717 238 K HN 0.335 nan 8.250 nan 0.000 0.441 239 K N 0.615 121.108 120.400 0.155 0.000 2.044 239 K HA -0.170 4.150 4.320 -0.001 0.000 0.210 239 K C 2.110 178.777 176.600 0.111 0.000 1.049 239 K CA 1.779 58.129 56.287 0.105 0.000 0.927 239 K CB -0.273 32.265 32.500 0.062 0.000 0.713 239 K HN -0.024 nan 8.250 nan 0.000 0.443 240 V N 0.795 120.801 119.914 0.154 0.000 2.515 240 V HA -0.206 3.914 4.120 -0.001 0.000 0.250 240 V C 1.917 178.117 176.094 0.177 0.000 1.058 240 V CA 1.459 63.869 62.300 0.184 0.000 1.064 240 V CB -0.527 31.458 31.823 0.270 0.000 0.675 240 V HN 0.229 nan 8.190 nan 0.000 0.461 241 F N 1.443 121.442 119.950 0.081 0.000 2.084 241 F HA -0.127 4.400 4.527 -0.001 0.000 0.296 241 F C 2.469 178.312 175.800 0.072 0.000 1.111 241 F CA 2.192 60.242 58.000 0.082 0.000 1.224 241 F CB -0.408 38.644 39.000 0.086 0.000 0.991 241 F HN 0.215 nan 8.300 nan 0.000 0.471 242 E N 0.469 120.688 120.200 0.032 0.000 2.055 242 E HA -0.341 4.009 4.350 -0.001 0.000 0.209 242 E C 2.278 178.789 176.600 -0.149 0.000 1.036 242 E CA 1.741 58.097 56.400 -0.073 0.000 0.849 242 E CB -0.604 29.133 29.700 0.062 0.000 0.767 242 E HN 0.473 nan 8.360 nan 0.000 0.461 243 A N 1.162 123.948 122.820 -0.057 0.000 1.892 243 A HA -0.198 4.122 4.320 -0.001 0.000 0.218 243 A C 2.464 179.991 177.584 -0.095 0.000 1.188 243 A CA 2.576 54.581 52.037 -0.054 0.000 0.631 243 A CB -1.163 17.842 19.000 0.007 0.000 0.822 243 A HN 0.508 nan 8.150 nan 0.000 0.447 244 A N -0.576 122.189 122.820 -0.091 0.000 1.859 244 A HA -0.107 4.213 4.320 -0.001 0.000 0.217 244 A C 2.269 179.740 177.584 -0.188 0.000 1.198 244 A CA 2.312 54.289 52.037 -0.100 0.000 0.629 244 A CB -1.257 17.716 19.000 -0.045 0.000 0.830 244 A HN 0.545 nan 8.150 nan 0.000 0.446 245 V N 0.500 120.191 119.914 -0.372 0.000 2.295 245 V HA -0.309 3.810 4.120 -0.001 0.000 0.246 245 V C 2.508 178.330 176.094 -0.454 0.000 1.049 245 V CA 2.437 64.457 62.300 -0.468 0.000 1.024 245 V CB -0.860 30.517 31.823 -0.743 0.000 0.648 245 V HN 0.722 nan 8.190 nan 0.000 0.447 246 K N 0.243 120.427 120.400 -0.360 0.000 2.097 246 K HA -0.338 3.982 4.320 -0.001 0.000 0.214 246 K C 2.423 178.896 176.600 -0.210 0.000 1.052 246 K CA 2.377 58.505 56.287 -0.265 0.000 0.932 246 K CB -0.408 31.989 32.500 -0.173 0.000 0.716 246 K HN 0.458 nan 8.250 nan 0.000 0.455 247 S N -0.066 115.539 115.700 -0.158 0.000 2.414 247 S HA -0.016 4.454 4.470 -0.001 0.000 0.227 247 S C 1.884 176.440 174.600 -0.074 0.000 1.022 247 S CA 0.848 58.990 58.200 -0.097 0.000 0.958 247 S CB -0.219 62.944 63.200 -0.062 0.000 0.797 247 S HN 0.395 nan 8.310 nan 0.000 0.493 248 I N 0.845 121.362 120.570 -0.088 0.000 2.333 248 I HA -0.039 4.130 4.170 -0.001 0.000 0.246 248 I C 2.591 178.690 176.117 -0.030 0.000 1.106 248 I CA 0.906 62.225 61.300 0.031 0.000 1.411 248 I CB -0.558 37.545 38.000 0.173 0.000 1.082 248 I HN 0.273 nan 8.210 nan 0.000 0.420 249 K N 1.957 122.144 120.400 -0.355 0.000 1.987 249 K HA -0.228 4.091 4.320 -0.001 0.000 0.216 249 K C 2.294 178.799 176.600 -0.158 0.000 1.051 249 K CA 2.046 58.059 56.287 -0.457 0.000 0.942 249 K CB -0.218 31.813 32.500 -0.782 0.000 0.722 249 K HN 0.285 nan 8.250 nan 0.000 0.444 250 A N 0.818 123.546 122.820 -0.154 0.000 1.940 250 A HA -0.129 4.191 4.320 -0.001 0.000 0.219 250 A C 2.289 179.843 177.584 -0.050 0.000 1.176 250 A CA 2.002 53.985 52.037 -0.090 0.000 0.631 250 A CB -0.782 18.166 19.000 -0.086 0.000 0.814 250 A HN 0.550 nan 8.150 nan 0.000 0.446 251 A N 0.153 122.957 122.820 -0.026 0.000 1.933 251 A HA -0.010 4.310 4.320 -0.001 0.000 0.218 251 A C 1.912 179.496 177.584 -0.001 0.000 1.175 251 A CA 1.773 53.815 52.037 0.008 0.000 0.628 251 A CB -0.695 18.337 19.000 0.054 0.000 0.814 251 A HN 1.048 nan 8.150 nan 0.000 0.444 252 S N -0.460 115.247 115.700 0.012 0.000 2.738 252 S HA 0.431 4.901 4.470 -0.001 0.000 0.227 252 S C -0.072 174.473 174.600 -0.093 0.000 1.311 252 S CA -0.145 58.022 58.200 -0.055 0.000 1.249 252 S CB 0.099 63.334 63.200 0.059 0.000 1.030 252 S HN 0.130 nan 8.310 nan 0.000 0.512 253 S N 1.198 116.839 115.700 -0.099 0.000 2.257 253 S HA 0.237 4.706 4.470 -0.001 0.000 0.191 253 S C 0.916 175.444 174.600 -0.119 0.000 1.386 253 S CA -0.610 57.513 58.200 -0.129 0.000 1.233 253 S CB 0.486 63.633 63.200 -0.089 0.000 1.138 253 S HN 0.573 nan 8.310 nan 0.000 0.483 254 T N 2.425 116.895 114.554 -0.139 0.000 2.894 254 T HA 0.073 4.423 4.350 -0.001 0.000 0.258 254 T C 0.641 175.259 174.700 -0.137 0.000 1.043 254 T CA 1.012 63.049 62.100 -0.106 0.000 1.141 254 T CB 0.161 68.982 68.868 -0.078 0.000 0.873 254 T HN 0.517 nan 8.240 nan 0.000 0.449 255 E N 0.367 120.415 120.200 -0.255 0.000 2.320 255 E HA 0.531 4.881 4.350 -0.001 0.000 0.264 255 E C -0.929 175.301 176.600 -0.617 0.000 0.923 255 E CA -0.795 55.403 56.400 -0.337 0.000 0.796 255 E CB 2.063 31.647 29.700 -0.193 0.000 1.262 255 E HN -0.072 nan 8.360 nan 0.000 0.428 256 K N 2.087 122.213 120.400 -0.455 0.000 2.449 256 K HA 0.331 4.651 4.320 -0.001 0.000 0.257 256 K C -1.496 174.972 176.600 -0.220 0.000 0.989 256 K CA -0.219 55.869 56.287 -0.331 0.000 0.916 256 K CB 0.358 32.785 32.500 -0.121 0.000 1.136 256 K HN 0.334 nan 8.250 nan 0.000 0.439 257 F N 3.170 123.153 119.950 0.055 0.000 2.408 257 F HA 0.446 4.973 4.527 -0.001 0.000 0.325 257 F C -1.458 174.319 175.800 -0.038 0.000 1.082 257 F CA -2.668 55.263 58.000 -0.115 0.000 1.032 257 F CB 0.469 39.280 39.000 -0.315 0.000 1.259 257 F HN 0.378 nan 8.300 nan 0.000 0.503 258 P HA 0.008 nan 4.420 nan 0.000 0.268 258 P C -0.172 177.263 177.300 0.225 0.000 1.205 258 P CA 0.180 63.344 63.100 0.106 0.000 0.771 258 P CB 0.655 32.378 31.700 0.039 0.000 0.858 259 D N 1.882 122.437 120.400 0.257 0.000 2.264 259 D HA -0.072 4.568 4.640 -0.001 0.000 0.208 259 D C 1.940 178.453 176.300 0.355 0.000 0.966 259 D CA 1.517 55.736 54.000 0.366 0.000 0.864 259 D CB -0.337 40.605 40.800 0.237 0.000 0.933 259 D HN 0.506 nan 8.370 nan 0.000 0.499 260 G N -0.944 108.000 108.800 0.240 0.000 2.683 260 G HA2 -0.136 3.824 3.960 -0.001 0.000 0.213 260 G HA3 -0.136 3.824 3.960 -0.001 0.000 0.213 260 G C 1.280 176.294 174.900 0.190 0.000 1.142 260 G CA 0.153 45.374 45.100 0.202 0.000 0.793 260 G HN 0.356 nan 8.290 nan 0.000 0.534 261 F N 0.697 120.642 119.950 -0.009 0.000 2.134 261 F HA -0.056 4.471 4.527 -0.001 0.000 0.299 261 F C 2.132 177.895 175.800 -0.061 0.000 1.097 261 F CA 1.145 59.073 58.000 -0.120 0.000 1.264 261 F CB -0.302 38.506 39.000 -0.320 0.000 1.001 261 F HN 0.211 nan 8.300 nan 0.000 0.479 262 W N 0.432 121.562 121.300 -0.283 0.000 2.342 262 W HA -0.181 4.479 4.660 -0.000 0.000 0.297 262 W C 1.699 178.298 176.519 0.134 0.000 1.213 262 W CA 0.241 57.398 57.345 -0.315 0.000 1.251 262 W CB -0.574 28.828 29.460 -0.097 0.000 1.136 262 W HN -0.013 nan 8.180 nan 0.000 0.526 263 L N 0.478 121.898 121.223 0.328 0.000 2.627 263 L HA 0.256 4.596 4.340 -0.001 0.000 0.233 263 L C 1.672 178.618 176.870 0.126 0.000 1.144 263 L CA 1.266 56.264 54.840 0.263 0.000 0.892 263 L CB -1.844 40.347 42.059 0.219 0.000 1.039 263 L HN 0.326 nan 8.230 nan 0.000 0.442 264 G N 0.684 109.531 108.800 0.079 0.000 2.249 264 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.273 264 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.273 264 G C 0.881 175.818 174.900 0.063 0.000 1.036 264 G CA 0.652 45.783 45.100 0.052 0.000 0.824 264 G HN 0.493 nan 8.290 nan 0.000 0.504 265 E N -0.881 119.366 120.200 0.079 0.000 2.447 265 E HA 0.103 4.453 4.350 -0.001 0.000 0.204 265 E C 1.174 177.822 176.600 0.081 0.000 0.977 265 E CA 0.730 57.176 56.400 0.077 0.000 0.950 265 E CB 0.290 30.041 29.700 0.084 0.000 0.975 265 E HN 0.863 nan 8.360 nan 0.000 0.496 266 Q N 0.803 120.668 119.800 0.108 0.000 2.456 266 Q HA 0.445 4.785 4.340 -0.001 0.000 0.284 266 Q C -0.926 175.178 176.000 0.173 0.000 1.061 266 Q CA -1.066 54.800 55.803 0.104 0.000 0.799 266 Q CB 1.593 30.379 28.738 0.081 0.000 1.445 266 Q HN -0.009 nan 8.270 nan 0.000 0.411 267 L N -0.455 120.843 121.223 0.126 0.000 2.416 267 L HA 0.884 5.224 4.340 -0.001 0.000 0.263 267 L C -0.539 176.341 176.870 0.015 0.000 1.065 267 L CA -0.882 54.065 54.840 0.178 0.000 0.798 267 L CB 0.958 43.082 42.059 0.107 0.000 1.267 267 L HN 0.515 nan 8.230 nan 0.000 0.467 268 V N -0.745 119.099 119.914 -0.116 0.000 2.914 268 V HA 0.779 4.899 4.120 -0.001 0.000 0.314 268 V C -1.008 174.801 176.094 -0.476 0.000 1.084 268 V CA -0.279 61.682 62.300 -0.565 0.000 0.963 268 V CB 1.863 32.900 31.823 -1.311 0.000 1.025 268 V HN 1.106 nan 8.190 nan 0.000 0.432 269 c N 4.533 122.664 118.600 -0.781 0.000 2.888 269 c HA 0.734 5.303 4.570 -0.001 0.000 0.308 269 c C -0.638 173.020 174.090 -0.721 0.000 1.213 269 c CA -1.096 54.952 56.329 -0.468 0.000 1.461 269 c CB 1.310 43.677 42.510 -0.238 0.000 1.934 269 c HN 0.960 nan 8.230 nan 0.000 0.474 270 W N 0.357 121.627 121.300 -0.049 0.000 3.698 270 W HA 0.561 5.221 4.660 -0.001 0.000 0.348 270 W C -0.609 175.880 176.519 -0.049 0.000 1.157 270 W CA -0.507 56.808 57.345 -0.051 0.000 0.951 270 W CB 0.841 30.266 29.460 -0.058 0.000 1.671 270 W HN 0.791 nan 8.180 nan 0.000 0.615 271 Q N 0.480 120.405 119.800 0.210 0.000 2.495 271 Q HA 0.750 5.090 4.340 -0.001 0.000 0.283 271 Q C -0.427 175.598 176.000 0.042 0.000 1.097 271 Q CA -0.946 54.905 55.803 0.081 0.000 0.836 271 Q CB 1.649 30.411 28.738 0.040 0.000 1.426 271 Q HN 0.327 nan 8.270 nan 0.000 0.459 272 A N 0.161 122.982 122.820 0.002 0.000 2.598 272 A HA 0.311 4.630 4.320 -0.001 0.000 0.239 272 A C 1.344 178.898 177.584 -0.050 0.000 1.032 272 A CA 1.097 53.118 52.037 -0.027 0.000 0.760 272 A CB -1.414 17.571 19.000 -0.024 0.000 0.946 272 A HN 1.566 nan 8.150 nan 0.000 0.512 273 G N 1.571 110.314 108.800 -0.096 0.000 2.377 273 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.250 273 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.250 273 G C 1.153 175.927 174.900 -0.211 0.000 1.039 273 G CA 1.409 46.425 45.100 -0.140 0.000 0.625 273 G HN 2.188 nan 8.290 nan 0.000 0.526 274 T N 0.211 114.673 114.554 -0.153 0.000 3.169 274 T HA 0.368 4.718 4.350 -0.001 0.000 0.250 274 T C 1.140 175.640 174.700 -0.333 0.000 1.111 274 T CA 1.261 63.277 62.100 -0.141 0.000 1.010 274 T CB -0.316 68.572 68.868 0.034 0.000 0.984 274 T HN 1.411 nan 8.240 nan 0.000 0.537 275 T N 2.371 116.599 114.554 -0.543 0.000 2.784 275 T HA 0.269 4.619 4.350 -0.001 0.000 0.291 275 T C -2.445 171.698 174.700 -0.928 0.000 0.942 275 T CA -1.503 60.020 62.100 -0.962 0.000 1.161 275 T CB 0.438 68.672 68.868 -1.057 0.000 0.885 275 T HN 0.106 nan 8.240 nan 0.000 0.534 276 P HA 0.118 nan 4.420 nan 0.000 0.260 276 P C 0.415 177.661 177.300 -0.090 0.000 1.651 276 P CA -0.553 62.328 63.100 -0.364 0.000 1.139 276 P CB -0.018 31.550 31.700 -0.220 0.000 1.756 277 W N 3.091 124.297 121.300 -0.156 0.000 2.311 277 W HA -0.211 4.448 4.660 -0.001 0.000 0.326 277 W C 1.764 178.303 176.519 0.034 0.000 1.239 277 W CA 0.802 58.089 57.345 -0.096 0.000 1.258 277 W CB -0.710 28.633 29.460 -0.196 0.000 1.165 277 W HN 0.329 nan 8.180 nan 0.000 0.466 278 N N -0.097 118.737 118.700 0.223 0.000 2.467 278 N HA -0.067 4.673 4.740 -0.001 0.000 0.184 278 N C 1.315 176.877 175.510 0.087 0.000 1.106 278 N CA 0.221 53.363 53.050 0.152 0.000 0.892 278 N CB -0.018 38.535 38.487 0.110 0.000 0.969 278 N HN 0.028 nan 8.380 nan 0.000 0.454 279 I N 0.564 121.122 120.570 -0.020 0.000 2.614 279 I HA -0.105 4.065 4.170 -0.001 0.000 0.258 279 I C 0.308 176.310 176.117 -0.192 0.000 1.189 279 I CA 0.898 62.091 61.300 -0.179 0.000 1.462 279 I CB -1.120 36.661 38.000 -0.364 0.000 1.092 279 I HN 0.005 nan 8.210 nan 0.000 0.442 280 F N 3.345 123.404 119.950 0.182 0.000 2.408 280 F HA 0.367 4.894 4.527 -0.001 0.000 0.344 280 F C -1.773 174.177 175.800 0.250 0.000 1.112 280 F CA -2.319 55.834 58.000 0.255 0.000 1.096 280 F CB 0.672 39.806 39.000 0.224 0.000 1.129 280 F HN -0.144 nan 8.300 nan 0.000 0.486 281 P HA 0.146 nan 4.420 nan 0.000 0.278 281 P C -0.632 176.868 177.300 0.333 0.000 1.238 281 P CA -0.313 62.970 63.100 0.306 0.000 0.794 281 P CB 1.467 33.297 31.700 0.216 0.000 0.955 282 V N 1.342 121.383 119.914 0.212 0.000 2.843 282 V HA 0.310 4.429 4.120 -0.001 0.000 0.305 282 V C 0.162 176.306 176.094 0.083 0.000 1.065 282 V CA -0.107 62.295 62.300 0.169 0.000 1.116 282 V CB -0.207 31.679 31.823 0.106 0.000 0.968 282 V HN 0.324 nan 8.190 nan 0.000 0.487 283 I N 3.023 123.608 120.570 0.025 0.000 2.603 283 I HA 0.538 4.708 4.170 -0.001 0.000 0.300 283 I C 0.085 176.156 176.117 -0.077 0.000 1.017 283 I CA -0.261 60.995 61.300 -0.074 0.000 1.098 283 I CB 2.207 40.087 38.000 -0.202 0.000 1.279 283 I HN 0.750 nan 8.210 nan 0.000 0.437 284 S N 5.813 121.443 115.700 -0.116 0.000 2.594 284 S HA 0.627 5.096 4.470 -0.001 0.000 0.296 284 S C -0.731 173.732 174.600 -0.227 0.000 1.124 284 S CA -0.558 57.528 58.200 -0.191 0.000 1.011 284 S CB 1.300 64.379 63.200 -0.201 0.000 1.016 284 S HN 0.305 nan 8.310 nan 0.000 0.485 285 L N 3.655 124.679 121.223 -0.332 0.000 2.322 285 L HA 0.557 4.897 4.340 -0.001 0.000 0.281 285 L C -1.314 175.258 176.870 -0.496 0.000 1.014 285 L CA -0.835 53.798 54.840 -0.345 0.000 0.815 285 L CB 0.930 42.776 42.059 -0.356 0.000 1.247 285 L HN 0.585 nan 8.230 nan 0.000 0.421 286 Y N 3.570 123.579 120.300 -0.485 0.000 2.320 286 Y HA 0.545 5.094 4.550 -0.000 0.000 0.334 286 Y C 0.017 175.610 175.900 -0.511 0.000 1.055 286 Y CA -0.367 57.415 58.100 -0.529 0.000 1.143 286 Y CB 1.309 39.513 38.460 -0.427 0.000 1.193 286 Y HN 0.352 nan 8.280 nan 0.000 0.477 287 L N 3.966 124.831 121.223 -0.597 0.000 2.342 287 L HA 0.490 4.830 4.340 -0.001 0.000 0.271 287 L C -0.007 176.689 176.870 -0.290 0.000 1.008 287 L CA -1.086 53.444 54.840 -0.516 0.000 0.818 287 L CB 1.814 43.376 42.059 -0.828 0.000 1.296 287 L HN 0.613 nan 8.230 nan 0.000 0.427 288 M N 1.515 121.080 119.600 -0.059 0.000 2.260 288 M HA 0.181 4.661 4.480 -0.001 0.000 0.348 288 M C 0.507 176.938 176.300 0.219 0.000 1.342 288 M CA 0.349 55.696 55.300 0.078 0.000 1.040 288 M CB 0.631 33.289 32.600 0.098 0.000 1.810 288 M HN 0.727 nan 8.290 nan 0.000 0.453 289 G N 3.393 112.367 108.800 0.290 0.000 2.525 289 G HA2 0.216 4.176 3.960 -0.001 0.000 0.287 289 G HA3 0.216 4.176 3.960 -0.001 0.000 0.287 289 G C -0.002 175.073 174.900 0.291 0.000 1.350 289 G CA -0.416 44.941 45.100 0.429 0.000 1.039 289 G HN 0.890 nan 8.290 nan 0.000 0.513 290 E N -1.738 118.619 120.200 0.262 0.000 2.435 290 E HA 0.099 4.449 4.350 -0.001 0.000 0.195 290 E C 0.091 176.766 176.600 0.125 0.000 1.029 290 E CA 0.122 56.621 56.400 0.165 0.000 0.865 290 E CB 0.561 30.333 29.700 0.120 0.000 0.833 290 E HN 0.028 nan 8.360 nan 0.000 0.510 291 V N 1.317 121.317 119.914 0.143 0.000 2.680 291 V HA 0.103 4.223 4.120 -0.001 0.000 0.309 291 V C 0.154 176.311 176.094 0.106 0.000 1.052 291 V CA -0.784 61.581 62.300 0.107 0.000 0.908 291 V CB 2.040 33.923 31.823 0.101 0.000 1.001 291 V HN 0.018 nan 8.190 nan 0.000 0.431 292 T N 5.147 119.748 114.554 0.080 0.000 2.830 292 T HA -0.043 4.306 4.350 -0.001 0.000 0.282 292 T C 0.956 175.703 174.700 0.078 0.000 1.024 292 T CA 1.075 63.217 62.100 0.070 0.000 1.144 292 T CB -0.383 68.517 68.868 0.052 0.000 1.035 292 T HN 0.872 nan 8.240 nan 0.000 0.507 293 N N 0.573 119.319 118.700 0.078 0.000 2.863 293 N HA -0.152 4.588 4.740 -0.001 0.000 0.245 293 N C -0.105 175.468 175.510 0.105 0.000 1.001 293 N CA 1.080 54.177 53.050 0.078 0.000 0.901 293 N CB -0.536 37.987 38.487 0.060 0.000 1.124 293 N HN 0.774 nan 8.380 nan 0.000 0.582 294 Q N 0.949 120.830 119.800 0.135 0.000 2.316 294 Q HA 0.577 4.917 4.340 -0.001 0.000 0.264 294 Q C -0.487 175.652 176.000 0.231 0.000 0.987 294 Q CA -0.217 55.697 55.803 0.185 0.000 0.852 294 Q CB 1.659 30.517 28.738 0.202 0.000 1.287 294 Q HN 0.300 nan 8.270 nan 0.000 0.448 295 S N 2.636 118.499 115.700 0.270 0.000 2.745 295 S HA 0.874 5.344 4.470 -0.001 0.000 0.306 295 S C -0.599 174.220 174.600 0.363 0.000 1.137 295 S CA -0.653 57.711 58.200 0.274 0.000 0.900 295 S CB 1.241 64.551 63.200 0.183 0.000 1.176 295 S HN 0.569 nan 8.310 nan 0.000 0.520 296 F N -1.326 118.635 119.950 0.019 0.000 2.675 296 F HA 0.905 5.431 4.527 -0.001 0.000 0.324 296 F C -0.728 174.830 175.800 -0.403 0.000 1.106 296 F CA -1.325 56.544 58.000 -0.220 0.000 0.970 296 F CB 1.217 39.904 39.000 -0.521 0.000 1.385 296 F HN 0.958 nan 8.300 nan 0.000 0.489 297 R N 1.477 121.643 120.500 -0.557 0.000 2.725 297 R HA 0.835 5.174 4.340 -0.001 0.000 0.277 297 R C -1.653 174.299 176.300 -0.580 0.000 0.987 297 R CA -0.970 54.586 56.100 -0.906 0.000 0.901 297 R CB 2.392 31.796 30.300 -1.494 0.000 1.207 297 R HN 0.967 nan 8.270 nan 0.000 0.463 298 I N -0.846 119.344 120.570 -0.634 0.000 2.441 298 I HA 0.549 4.719 4.170 -0.001 0.000 0.295 298 I C -0.985 174.992 176.117 -0.233 0.000 0.994 298 I CA -0.693 60.319 61.300 -0.479 0.000 1.144 298 I CB 2.529 39.953 38.000 -0.961 0.000 1.314 298 I HN 0.517 nan 8.210 nan 0.000 0.445 299 T N 7.561 122.134 114.554 0.031 0.000 2.815 299 T HA 0.524 4.873 4.350 -0.001 0.000 0.289 299 T C -0.148 174.644 174.700 0.153 0.000 1.000 299 T CA -0.407 61.714 62.100 0.035 0.000 0.958 299 T CB 1.127 69.989 68.868 -0.010 0.000 0.944 299 T HN 0.659 nan 8.240 nan 0.000 0.442 300 I N 2.314 122.957 120.570 0.122 0.000 2.392 300 I HA 0.606 4.776 4.170 -0.001 0.000 0.295 300 I C -0.544 175.670 176.117 0.161 0.000 0.985 300 I CA -0.997 60.384 61.300 0.134 0.000 1.221 300 I CB 0.865 38.963 38.000 0.164 0.000 1.366 300 I HN 0.455 nan 8.210 nan 0.000 0.467 301 L N 6.595 127.888 121.223 0.118 0.000 2.475 301 L HA 0.379 4.719 4.340 -0.001 0.000 0.253 301 L C -1.251 175.692 176.870 0.121 0.000 1.198 301 L CA -1.488 53.408 54.840 0.093 0.000 0.814 301 L CB 0.377 42.410 42.059 -0.042 0.000 1.134 301 L HN 0.524 nan 8.230 nan 0.000 0.478 302 P HA -0.111 nan 4.420 nan 0.000 0.225 302 P C 0.833 177.815 177.300 -0.529 0.000 1.156 302 P CA 0.789 63.534 63.100 -0.591 0.000 0.787 302 P CB 0.150 31.637 31.700 -0.355 0.000 0.802 303 Q N 0.738 120.340 119.800 -0.331 0.000 2.082 303 Q HA -0.247 4.093 4.340 -0.001 0.000 0.211 303 Q C 2.104 178.032 176.000 -0.120 0.000 1.002 303 Q CA 1.725 57.397 55.803 -0.217 0.000 0.868 303 Q CB -1.481 27.101 28.738 -0.259 0.000 0.931 303 Q HN 0.276 nan 8.270 nan 0.000 0.414 304 Q N 0.446 120.206 119.800 -0.067 0.000 2.061 304 Q HA -0.148 4.192 4.340 -0.001 0.000 0.204 304 Q C 1.902 177.944 176.000 0.069 0.000 0.984 304 Q CA 2.031 57.853 55.803 0.033 0.000 0.846 304 Q CB -0.507 28.281 28.738 0.084 0.000 0.902 304 Q HN 0.799 nan 8.270 nan 0.000 0.421 305 Y N -2.618 117.673 120.300 -0.015 0.000 2.466 305 Y HA 0.429 4.978 4.550 -0.000 0.000 0.272 305 Y C -0.324 175.556 175.900 -0.033 0.000 1.169 305 Y CA -0.553 57.517 58.100 -0.050 0.000 1.285 305 Y CB 0.425 38.849 38.460 -0.061 0.000 1.078 305 Y HN -0.121 nan 8.280 nan 0.000 0.523 306 L N 3.925 125.014 121.223 -0.224 0.000 2.366 306 L HA 0.415 4.754 4.340 -0.001 0.000 0.266 306 L C -0.502 176.435 176.870 0.112 0.000 1.010 306 L CA -1.497 53.289 54.840 -0.090 0.000 0.879 306 L CB 1.244 43.049 42.059 -0.422 0.000 1.228 306 L HN 0.315 nan 8.230 nan 0.000 0.439 307 R N 2.825 123.451 120.500 0.209 0.000 2.346 307 R HA 0.722 5.062 4.340 -0.001 0.000 0.311 307 R C -2.613 173.829 176.300 0.237 0.000 0.983 307 R CA -1.842 54.389 56.100 0.218 0.000 0.880 307 R CB 0.554 30.924 30.300 0.117 0.000 1.100 307 R HN 0.190 nan 8.270 nan 0.000 0.453 308 P HA -0.104 nan 4.420 nan 0.000 0.260 308 P C -0.597 176.631 177.300 -0.120 0.000 1.172 308 P CA -0.013 62.938 63.100 -0.248 0.000 0.760 308 P CB 0.477 32.047 31.700 -0.215 0.000 0.773 309 V N 4.210 124.040 119.914 -0.139 0.000 2.385 309 V HA 0.098 4.217 4.120 -0.001 0.000 0.269 309 V C 1.516 177.548 176.094 -0.104 0.000 1.043 309 V CA -0.007 62.250 62.300 -0.072 0.000 0.906 309 V CB 0.770 32.579 31.823 -0.024 0.000 0.995 309 V HN 0.606 nan 8.190 nan 0.000 0.467 310 E N 3.292 123.446 120.200 -0.077 0.000 1.987 310 E HA -0.088 4.262 4.350 -0.001 0.000 0.198 310 E C 0.154 176.712 176.600 -0.070 0.000 0.968 310 E CA 0.697 57.051 56.400 -0.078 0.000 0.867 310 E CB 0.203 29.869 29.700 -0.056 0.000 0.819 310 E HN 0.721 nan 8.360 nan 0.000 0.516 311 D N 1.775 122.143 120.400 -0.054 0.000 2.639 311 D HA 0.106 4.745 4.640 -0.001 0.000 0.233 311 D C -0.747 175.526 176.300 -0.044 0.000 1.161 311 D CA -0.030 53.942 54.000 -0.048 0.000 1.003 311 D CB 0.954 41.729 40.800 -0.041 0.000 1.034 311 D HN 0.056 nan 8.370 nan 0.000 0.514 312 V N -0.209 119.676 119.914 -0.048 0.000 2.387 312 V HA 0.371 4.491 4.120 -0.001 0.000 0.260 312 V C 1.340 177.409 176.094 -0.040 0.000 1.054 312 V CA -0.597 61.679 62.300 -0.041 0.000 0.967 312 V CB 0.852 32.649 31.823 -0.044 0.000 1.036 312 V HN 0.265 nan 8.190 nan 0.000 0.481 313 A N 3.794 126.593 122.820 -0.034 0.000 2.119 313 A HA -0.001 4.319 4.320 -0.001 0.000 0.217 313 A C 1.952 179.518 177.584 -0.031 0.000 1.153 313 A CA 1.308 53.326 52.037 -0.032 0.000 0.692 313 A CB -0.652 18.331 19.000 -0.028 0.000 0.799 313 A HN 1.181 nan 8.150 nan 0.000 0.458 314 T N -2.260 112.275 114.554 -0.031 0.000 3.400 314 T HA 0.322 4.671 4.350 -0.001 0.000 0.254 314 T C 0.367 175.044 174.700 -0.039 0.000 1.153 314 T CA 0.679 62.760 62.100 -0.031 0.000 1.012 314 T CB -0.528 68.323 68.868 -0.029 0.000 0.994 314 T HN 0.346 nan 8.240 nan 0.000 0.555 315 S N -0.320 115.355 115.700 -0.041 0.000 2.595 315 S HA 0.363 4.833 4.470 -0.001 0.000 0.270 315 S C -1.950 172.624 174.600 -0.043 0.000 1.145 315 S CA -0.806 57.367 58.200 -0.045 0.000 0.825 315 S CB 1.638 64.804 63.200 -0.057 0.000 1.107 315 S HN 0.292 nan 8.310 nan 0.000 0.461 316 Q N 1.852 121.628 119.800 -0.040 0.000 2.831 316 Q HA 0.344 4.684 4.340 -0.001 0.000 0.366 316 Q C -1.631 174.346 176.000 -0.038 0.000 0.899 316 Q CA -0.202 55.578 55.803 -0.039 0.000 0.987 316 Q CB 0.643 29.362 28.738 -0.031 0.000 1.382 316 Q HN 0.572 nan 8.270 nan 0.000 0.403 317 D N -0.481 119.892 120.400 -0.046 0.000 2.493 317 D HA 0.211 4.851 4.640 -0.001 0.000 0.239 317 D C -1.030 175.242 176.300 -0.047 0.000 1.049 317 D CA -0.554 53.425 54.000 -0.035 0.000 1.008 317 D CB 1.298 42.075 40.800 -0.040 0.000 1.398 317 D HN -0.041 nan 8.370 nan 0.000 0.513 318 D N 0.788 121.185 120.400 -0.004 0.000 2.551 318 D HA 0.173 4.812 4.640 -0.001 0.000 0.223 318 D C -0.349 175.939 176.300 -0.019 0.000 1.144 318 D CA -0.099 53.874 54.000 -0.045 0.000 1.025 318 D CB -0.456 40.394 40.800 0.083 0.000 1.085 318 D HN 0.199 nan 8.370 nan 0.000 0.506 319 c N 1.477 119.981 118.600 -0.160 0.000 2.563 319 c HA 0.462 5.032 4.570 -0.001 0.000 0.358 319 c C 0.023 173.941 174.090 -0.287 0.000 1.336 319 c CA -0.361 55.911 56.329 -0.094 0.000 2.454 319 c CB -0.245 42.209 42.510 -0.092 0.000 2.448 319 c HN 0.492 nan 8.230 nan 0.000 0.670 320 Y N -0.586 119.767 120.300 0.088 0.000 2.474 320 Y HA 0.375 4.925 4.550 -0.000 0.000 0.326 320 Y C -0.150 175.855 175.900 0.174 0.000 1.160 320 Y CA -0.649 57.523 58.100 0.120 0.000 1.056 320 Y CB 1.167 39.714 38.460 0.146 0.000 1.330 320 Y HN 0.561 nan 8.280 nan 0.000 0.447 321 K N 2.320 122.905 120.400 0.309 0.000 2.098 321 K HA 0.462 4.782 4.320 -0.001 0.000 0.258 321 K C -1.167 175.635 176.600 0.337 0.000 0.973 321 K CA -0.699 55.768 56.287 0.300 0.000 0.898 321 K CB 0.922 33.521 32.500 0.164 0.000 1.057 321 K HN 0.694 nan 8.250 nan 0.000 0.447 322 F N 2.803 122.790 119.950 0.063 0.000 2.462 322 F HA 0.207 4.734 4.527 -0.001 0.000 0.360 322 F C 0.593 176.433 175.800 0.066 0.000 1.134 322 F CA -0.408 57.579 58.000 -0.021 0.000 1.148 322 F CB 0.670 39.406 39.000 -0.440 0.000 1.147 322 F HN 0.660 nan 8.300 nan 0.000 0.550 323 A N 7.880 130.581 122.820 -0.200 0.000 2.268 323 A HA 0.271 4.591 4.320 -0.001 0.000 0.221 323 A C 0.220 177.623 177.584 -0.303 0.000 1.287 323 A CA 0.086 52.025 52.037 -0.164 0.000 0.902 323 A CB -1.054 17.930 19.000 -0.026 0.000 0.877 323 A HN 0.656 nan 8.150 nan 0.000 0.487 324 I N -0.291 119.888 120.570 -0.652 0.000 2.608 324 I HA 0.557 4.726 4.170 -0.001 0.000 0.295 324 I C 0.034 176.068 176.117 -0.138 0.000 1.049 324 I CA -0.519 60.551 61.300 -0.383 0.000 1.063 324 I CB 2.395 40.156 38.000 -0.398 0.000 1.248 324 I HN 0.220 nan 8.210 nan 0.000 0.424 325 S N 4.078 119.686 115.700 -0.154 0.000 2.661 325 S HA 0.464 4.934 4.470 -0.001 0.000 0.268 325 S C -1.484 172.779 174.600 -0.561 0.000 1.162 325 S CA -0.959 56.962 58.200 -0.466 0.000 0.817 325 S CB 1.947 64.999 63.200 -0.248 0.000 1.141 325 S HN 0.631 nan 8.310 nan 0.000 0.477 326 Q N 0.405 119.834 119.800 -0.618 0.000 2.212 326 Q HA 0.711 5.051 4.340 -0.001 0.000 0.238 326 Q C -0.764 175.126 176.000 -0.184 0.000 0.955 326 Q CA -0.751 54.805 55.803 -0.411 0.000 0.906 326 Q CB 1.625 30.139 28.738 -0.374 0.000 1.215 326 Q HN 0.731 nan 8.270 nan 0.000 0.478 327 S N -0.791 114.848 115.700 -0.101 0.000 2.543 327 S HA 0.219 4.689 4.470 -0.001 0.000 0.273 327 S C -0.229 174.324 174.600 -0.078 0.000 1.152 327 S CA -0.538 57.612 58.200 -0.084 0.000 0.910 327 S CB 1.235 64.386 63.200 -0.082 0.000 1.105 327 S HN 0.609 nan 8.310 nan 0.000 0.465 328 S N 2.188 117.836 115.700 -0.086 0.000 2.528 328 S HA 0.047 4.517 4.470 -0.001 0.000 0.219 328 S C 1.402 175.901 174.600 -0.168 0.000 0.985 328 S CA 0.771 58.908 58.200 -0.105 0.000 0.914 328 S CB -0.235 62.924 63.200 -0.068 0.000 0.776 328 S HN 0.985 nan 8.310 nan 0.000 0.526 329 T N -2.204 112.257 114.554 -0.154 0.000 3.044 329 T HA 0.603 4.953 4.350 -0.001 0.000 0.260 329 T C 0.848 175.422 174.700 -0.210 0.000 1.019 329 T CA 0.289 62.279 62.100 -0.184 0.000 0.921 329 T CB 0.554 69.333 68.868 -0.148 0.000 1.053 329 T HN 0.832 nan 8.240 nan 0.000 0.533 330 G N 0.820 109.519 108.800 -0.168 0.000 2.315 330 G HA2 0.218 4.178 3.960 -0.001 0.000 0.296 330 G HA3 0.218 4.178 3.960 -0.001 0.000 0.296 330 G C -0.830 174.028 174.900 -0.070 0.000 1.289 330 G CA -0.558 44.465 45.100 -0.129 0.000 0.996 330 G HN 0.305 nan 8.290 nan 0.000 0.487 331 T N -0.029 114.508 114.554 -0.027 0.000 2.919 331 T HA 0.499 4.849 4.350 -0.001 0.000 0.302 331 T C 0.015 174.692 174.700 -0.039 0.000 1.031 331 T CA 0.111 62.205 62.100 -0.009 0.000 1.127 331 T CB 1.408 70.288 68.868 0.021 0.000 0.952 331 T HN 1.107 nan 8.240 nan 0.000 0.540 332 V N 4.411 124.309 119.914 -0.027 0.000 2.524 332 V HA 0.311 4.430 4.120 -0.001 0.000 0.297 332 V C -0.254 175.848 176.094 0.013 0.000 1.035 332 V CA -0.731 61.558 62.300 -0.019 0.000 0.867 332 V CB 1.679 33.481 31.823 -0.034 0.000 1.004 332 V HN 0.889 nan 8.190 nan 0.000 0.426 333 M N 4.568 124.194 119.600 0.044 0.000 2.261 333 M HA 0.437 4.916 4.480 -0.001 0.000 0.349 333 M C 0.910 177.269 176.300 0.098 0.000 1.305 333 M CA 0.077 55.420 55.300 0.072 0.000 1.240 333 M CB 0.765 33.422 32.600 0.094 0.000 1.394 333 M HN 0.778 nan 8.290 nan 0.000 0.438 334 G N 1.143 109.990 108.800 0.080 0.000 2.509 334 G HA2 0.509 4.469 3.960 -0.001 0.000 0.269 334 G HA3 0.509 4.469 3.960 -0.001 0.000 0.269 334 G C 0.786 175.752 174.900 0.109 0.000 1.416 334 G CA -0.113 45.036 45.100 0.083 0.000 1.052 334 G HN 0.721 nan 8.290 nan 0.000 0.542 335 A N -1.550 121.337 122.820 0.112 0.000 2.119 335 A HA 0.145 4.465 4.320 -0.001 0.000 0.217 335 A C 2.408 180.073 177.584 0.135 0.000 1.153 335 A CA 1.348 53.467 52.037 0.137 0.000 0.692 335 A CB -0.426 18.708 19.000 0.223 0.000 0.799 335 A HN 0.397 nan 8.150 nan 0.000 0.458 336 V N 0.420 120.403 119.914 0.115 0.000 2.261 336 V HA -0.233 3.886 4.120 -0.001 0.000 0.246 336 V C 2.420 178.586 176.094 0.119 0.000 1.047 336 V CA 1.857 64.220 62.300 0.105 0.000 1.015 336 V CB -0.467 31.405 31.823 0.081 0.000 0.642 336 V HN 0.527 nan 8.190 nan 0.000 0.446 337 I N -0.588 120.066 120.570 0.139 0.000 2.179 337 I HA -0.248 3.922 4.170 -0.001 0.000 0.242 337 I C 2.410 178.705 176.117 0.298 0.000 1.088 337 I CA 1.925 63.353 61.300 0.213 0.000 1.357 337 I CB -1.051 37.067 38.000 0.197 0.000 1.051 337 I HN 0.313 nan 8.210 nan 0.000 0.409 338 M N -0.176 119.568 119.600 0.240 0.000 2.296 338 M HA -0.192 4.288 4.480 -0.001 0.000 0.265 338 M C 1.989 178.371 176.300 0.137 0.000 1.064 338 M CA 1.306 56.751 55.300 0.242 0.000 1.109 338 M CB -0.433 32.248 32.600 0.136 0.000 1.396 338 M HN 0.178 nan 8.290 nan 0.000 0.430 339 E N 0.195 120.438 120.200 0.072 0.000 2.209 339 E HA -0.149 4.201 4.350 -0.001 0.000 0.196 339 E C 2.003 178.571 176.600 -0.053 0.000 0.993 339 E CA 1.104 57.518 56.400 0.023 0.000 0.819 339 E CB -0.198 29.539 29.700 0.062 0.000 0.745 339 E HN 0.617 nan 8.360 nan 0.000 0.477 340 G N -0.525 108.143 108.800 -0.220 0.000 2.534 340 G HA2 -0.058 3.902 3.960 -0.001 0.000 0.217 340 G HA3 -0.058 3.902 3.960 -0.001 0.000 0.217 340 G C 0.103 174.474 174.900 -0.882 0.000 1.128 340 G CA 0.296 44.998 45.100 -0.663 0.000 0.784 340 G HN 0.020 nan 8.290 nan 0.000 0.542 341 F N -2.742 117.262 119.950 0.090 0.000 2.613 341 F HA 0.486 5.013 4.527 -0.001 0.000 0.314 341 F C -0.866 175.002 175.800 0.114 0.000 1.075 341 F CA -2.030 56.032 58.000 0.104 0.000 0.945 341 F CB 1.259 40.373 39.000 0.190 0.000 1.310 341 F HN -0.100 nan 8.300 nan 0.000 0.467 342 Y N 2.094 122.482 120.300 0.146 0.000 2.350 342 Y HA 0.634 5.184 4.550 -0.001 0.000 0.340 342 Y C -0.910 174.893 175.900 -0.163 0.000 1.006 342 Y CA -1.252 56.841 58.100 -0.012 0.000 1.166 342 Y CB 0.740 39.192 38.460 -0.014 0.000 1.168 342 Y HN 0.305 nan 8.280 nan 0.000 0.502 343 V N 7.421 127.032 119.914 -0.505 0.000 2.409 343 V HA 0.392 4.511 4.120 -0.001 0.000 0.291 343 V C -0.704 174.817 176.094 -0.955 0.000 1.020 343 V CA -1.005 60.799 62.300 -0.826 0.000 0.848 343 V CB 1.394 32.768 31.823 -0.748 0.000 0.990 343 V HN 0.548 nan 8.190 nan 0.000 0.430 344 V N 5.389 124.690 119.914 -1.021 0.000 2.370 344 V HA 0.456 4.576 4.120 -0.001 0.000 0.283 344 V C -0.577 174.998 176.094 -0.865 0.000 1.023 344 V CA -0.365 61.457 62.300 -0.796 0.000 0.857 344 V CB 1.319 32.825 31.823 -0.528 0.000 0.985 344 V HN 0.697 nan 8.190 nan 0.000 0.443 345 F N 3.030 122.488 119.950 -0.820 0.000 2.309 345 F HA 0.330 4.857 4.527 -0.000 0.000 0.366 345 F C 0.609 176.058 175.800 -0.584 0.000 1.104 345 F CA -0.538 56.929 58.000 -0.887 0.000 1.179 345 F CB 0.749 38.725 39.000 -1.705 0.000 1.437 345 F HN 0.440 nan 8.300 nan 0.000 0.528 346 D N 3.389 123.666 120.400 -0.205 0.000 2.564 346 D HA 0.154 4.794 4.640 -0.001 0.000 0.226 346 D C 1.326 177.633 176.300 0.011 0.000 1.149 346 D CA -0.063 53.872 54.000 -0.108 0.000 0.994 346 D CB 0.298 41.007 40.800 -0.151 0.000 1.029 346 D HN 0.454 nan 8.370 nan 0.000 0.517 347 R N 1.433 121.982 120.500 0.081 0.000 2.120 347 R HA -0.086 4.253 4.340 -0.001 0.000 0.234 347 R C 2.091 178.498 176.300 0.178 0.000 1.123 347 R CA 1.358 57.594 56.100 0.227 0.000 0.975 347 R CB 0.006 30.466 30.300 0.268 0.000 0.866 347 R HN 0.359 nan 8.270 nan 0.000 0.446 348 A N 1.131 124.022 122.820 0.117 0.000 1.940 348 A HA -0.157 4.163 4.320 -0.001 0.000 0.219 348 A C 1.718 179.324 177.584 0.036 0.000 1.176 348 A CA 1.341 53.426 52.037 0.080 0.000 0.631 348 A CB -0.152 18.884 19.000 0.060 0.000 0.814 348 A HN 0.218 nan 8.150 nan 0.000 0.446 349 R N -1.416 119.081 120.500 -0.005 0.000 2.586 349 R HA 0.219 4.558 4.340 -0.001 0.000 0.336 349 R C -0.522 175.765 176.300 -0.022 0.000 1.060 349 R CA -0.204 55.868 56.100 -0.046 0.000 1.079 349 R CB 0.211 30.429 30.300 -0.137 0.000 1.317 349 R HN 0.357 nan 8.270 nan 0.000 0.568 350 K N 1.908 122.333 120.400 0.042 0.000 3.451 350 K HA -0.240 4.080 4.320 -0.001 0.000 0.273 350 K C -0.801 175.844 176.600 0.074 0.000 0.944 350 K CA 1.051 57.385 56.287 0.078 0.000 0.734 350 K CB -1.020 31.511 32.500 0.052 0.000 1.437 350 K HN 0.499 nan 8.250 nan 0.000 0.454 351 R N -0.846 119.694 120.500 0.066 0.000 2.664 351 R HA 0.583 4.923 4.340 -0.001 0.000 0.266 351 R C -1.262 175.061 176.300 0.038 0.000 1.046 351 R CA -1.093 55.046 56.100 0.064 0.000 0.885 351 R CB 1.174 31.457 30.300 -0.028 0.000 1.254 351 R HN 0.057 nan 8.270 nan 0.000 0.465 352 I N 1.198 121.806 120.570 0.063 0.000 2.465 352 I HA 0.494 4.663 4.170 -0.001 0.000 0.291 352 I C 0.108 176.171 176.117 -0.089 0.000 1.014 352 I CA -0.950 60.229 61.300 -0.202 0.000 1.093 352 I CB 2.365 40.141 38.000 -0.374 0.000 1.267 352 I HN 0.866 nan 8.210 nan 0.000 0.431 353 G N 5.066 113.652 108.800 -0.357 0.000 2.400 353 G HA2 0.730 4.690 3.960 -0.001 0.000 0.333 353 G HA3 0.730 4.690 3.960 -0.001 0.000 0.333 353 G C -1.338 173.092 174.900 -0.783 0.000 1.143 353 G CA -0.242 44.455 45.100 -0.672 0.000 0.914 353 G HN 0.335 nan 8.290 nan 0.000 0.480 354 F N 0.343 119.995 119.950 -0.497 0.000 2.551 354 F HA 0.754 5.280 4.527 -0.000 0.000 0.316 354 F C 0.415 176.059 175.800 -0.260 0.000 1.089 354 F CA -0.458 57.338 58.000 -0.340 0.000 0.915 354 F CB 2.832 41.665 39.000 -0.278 0.000 1.186 354 F HN 0.732 nan 8.300 nan 0.000 0.456 355 A N 1.198 124.071 122.820 0.087 0.000 2.606 355 A HA 0.712 5.032 4.320 -0.001 0.000 0.293 355 A C -1.528 176.274 177.584 0.363 0.000 1.082 355 A CA -0.826 51.306 52.037 0.159 0.000 0.685 355 A CB 1.042 20.013 19.000 -0.048 0.000 1.284 355 A HN 0.450 nan 8.150 nan 0.000 0.408 356 V N 1.799 121.893 119.914 0.301 0.000 2.540 356 V HA 0.200 4.320 4.120 -0.001 0.000 0.297 356 V C 1.244 177.406 176.094 0.114 0.000 1.024 356 V CA 0.591 62.975 62.300 0.140 0.000 1.105 356 V CB 1.033 32.834 31.823 -0.036 0.000 0.938 356 V HN 0.941 nan 8.190 nan 0.000 0.482 357 S N 4.480 120.189 115.700 0.015 0.000 2.533 357 S HA 0.290 4.759 4.470 -0.001 0.000 0.282 357 S C 1.290 175.934 174.600 0.073 0.000 1.304 357 S CA -0.199 58.049 58.200 0.080 0.000 1.063 357 S CB 0.995 64.229 63.200 0.057 0.000 0.881 357 S HN 1.044 nan 8.310 nan 0.000 0.493 358 A N 3.547 126.400 122.820 0.054 0.000 2.264 358 A HA 0.034 4.354 4.320 -0.001 0.000 0.207 358 A C 1.636 179.250 177.584 0.050 0.000 1.196 358 A CA 0.894 52.946 52.037 0.026 0.000 0.778 358 A CB -1.274 17.703 19.000 -0.038 0.000 0.779 358 A HN 1.330 nan 8.150 nan 0.000 0.483 359 c N -1.092 117.565 118.600 0.095 0.000 3.365 359 c HA 0.353 4.923 4.570 -0.001 0.000 0.266 359 c C 0.547 174.706 174.090 0.115 0.000 1.631 359 c CA -0.149 56.230 56.329 0.083 0.000 1.789 359 c CB -1.463 41.077 42.510 0.050 0.000 3.088 359 c HN 0.666 nan 8.230 nan 0.000 0.547 360 H N 1.354 120.413 119.070 -0.018 0.000 2.707 360 H HA 0.463 5.019 4.556 -0.001 0.000 0.359 360 H C -0.033 175.356 175.328 0.102 0.000 1.113 360 H CA 0.558 56.592 56.048 -0.025 0.000 1.422 360 H CB 0.771 30.457 29.762 -0.127 0.000 1.443 360 H HN 0.512 nan 8.280 nan 0.000 0.591 361 V N 2.881 122.742 119.914 -0.088 0.000 2.508 361 V HA 0.260 4.380 4.120 -0.001 0.000 0.281 361 V C 0.146 176.081 176.094 -0.265 0.000 1.041 361 V CA -0.508 61.706 62.300 -0.143 0.000 1.016 361 V CB 0.074 31.839 31.823 -0.096 0.000 0.984 361 V HN 1.062 nan 8.190 nan 0.000 0.478 362 H N 2.205 121.026 119.070 -0.415 0.000 2.782 362 H HA 0.597 5.152 4.556 -0.001 0.000 0.347 362 H C -1.081 174.098 175.328 -0.248 0.000 1.038 362 H CA -0.956 54.853 56.048 -0.397 0.000 1.255 362 H CB 1.630 31.078 29.762 -0.524 0.000 1.623 362 H HN 0.788 nan 8.280 nan 0.000 0.525 363 D N 1.333 121.573 120.400 -0.266 0.000 2.411 363 D HA 0.048 4.688 4.640 -0.001 0.000 0.251 363 D C 0.377 176.692 176.300 0.025 0.000 1.201 363 D CA -0.751 53.127 54.000 -0.203 0.000 0.996 363 D CB 1.072 41.632 40.800 -0.400 0.000 1.101 363 D HN 0.554 nan 8.370 nan 0.000 0.504 364 E N -0.973 119.314 120.200 0.146 0.000 2.330 364 E HA 0.179 4.529 4.350 -0.001 0.000 0.210 364 E C -0.819 176.015 176.600 0.391 0.000 1.256 364 E CA 0.101 56.645 56.400 0.239 0.000 1.346 364 E CB -0.380 29.448 29.700 0.214 0.000 1.308 364 E HN 0.395 nan 8.360 nan 0.000 0.441 365 F N -1.479 118.464 119.950 -0.012 0.000 1.921 365 F HA 0.388 4.915 4.527 -0.001 0.000 0.221 365 F C 1.203 177.002 175.800 -0.001 0.000 1.250 365 F CA -0.181 57.816 58.000 -0.005 0.000 1.296 365 F CB -0.075 38.916 39.000 -0.014 0.000 1.897 365 F HN -0.181 nan 8.300 nan 0.000 0.209 366 R N -0.279 120.346 120.500 0.208 0.000 2.523 366 R HA 0.739 5.078 4.340 -0.001 0.000 0.216 366 R C -0.942 175.416 176.300 0.097 0.000 1.279 366 R CA -0.184 55.984 56.100 0.114 0.000 1.015 366 R CB 0.310 30.666 30.300 0.093 0.000 1.756 366 R HN 0.213 nan 8.270 nan 0.000 0.528 367 T N -1.001 113.609 114.554 0.093 0.000 2.686 367 T HA 0.375 4.725 4.350 -0.001 0.000 0.308 367 T C -1.425 173.332 174.700 0.096 0.000 1.667 367 T CA -0.753 61.440 62.100 0.154 0.000 0.987 367 T CB 1.327 70.282 68.868 0.145 0.000 1.652 367 T HN 0.672 nan 8.240 nan 0.000 0.496 368 A N 0.423 123.266 122.820 0.039 0.000 2.322 368 A HA 0.911 5.231 4.320 -0.001 0.000 0.269 368 A C 0.008 177.559 177.584 -0.056 0.000 1.094 368 A CA -0.079 51.891 52.037 -0.112 0.000 0.807 368 A CB 0.192 18.922 19.000 -0.450 0.000 1.047 368 A HN 1.504 nan 8.150 nan 0.000 0.487 369 A N 0.552 123.431 122.820 0.097 0.000 2.520 369 A HA 0.630 4.949 4.320 -0.001 0.000 0.298 369 A C -1.312 176.359 177.584 0.146 0.000 1.051 369 A CA -0.391 51.704 52.037 0.096 0.000 0.690 369 A CB 1.468 20.491 19.000 0.039 0.000 1.281 369 A HN 1.345 nan 8.150 nan 0.000 0.402 370 V N 1.831 121.804 119.914 0.099 0.000 2.409 370 V HA 0.587 4.707 4.120 -0.001 0.000 0.290 370 V C -0.358 175.678 176.094 -0.097 0.000 1.017 370 V CA -0.274 62.032 62.300 0.009 0.000 0.841 370 V CB 1.087 32.975 31.823 0.107 0.000 1.003 370 V HN 0.969 nan 8.190 nan 0.000 0.426 371 E N 2.048 122.098 120.200 -0.251 0.000 2.343 371 E HA 0.874 5.223 4.350 -0.001 0.000 0.270 371 E C -0.014 176.257 176.600 -0.547 0.000 0.895 371 E CA -0.441 55.788 56.400 -0.285 0.000 0.767 371 E CB 2.789 32.477 29.700 -0.019 0.000 1.248 371 E HN 0.936 nan 8.360 nan 0.000 0.440 372 G N 1.341 109.702 108.800 -0.731 0.000 2.342 372 G HA2 0.359 4.319 3.960 -0.001 0.000 0.297 372 G HA3 0.359 4.319 3.960 -0.001 0.000 0.297 372 G C -2.889 171.752 174.900 -0.431 0.000 1.313 372 G CA -0.795 43.773 45.100 -0.887 0.000 0.830 372 G HN 0.391 nan 8.290 nan 0.000 0.506 373 P HA 0.721 nan 4.420 nan 0.000 0.282 373 P C -1.398 175.657 177.300 -0.408 0.000 1.259 373 P CA -0.392 62.620 63.100 -0.148 0.000 0.826 373 P CB 1.225 33.017 31.700 0.154 0.000 1.064 374 F N -0.934 119.033 119.950 0.029 0.000 2.538 374 F HA 0.374 4.901 4.527 -0.001 0.000 0.325 374 F C 0.234 176.074 175.800 0.066 0.000 1.066 374 F CA -1.068 56.969 58.000 0.062 0.000 0.946 374 F CB 1.927 41.003 39.000 0.127 0.000 1.199 374 F HN -0.075 nan 8.300 nan 0.000 0.473 375 V N 1.818 121.865 119.914 0.222 0.000 2.350 375 V HA 0.448 4.567 4.120 -0.001 0.000 0.276 375 V C -0.602 175.558 176.094 0.109 0.000 1.028 375 V CA -0.135 62.246 62.300 0.135 0.000 0.860 375 V CB 1.284 33.158 31.823 0.085 0.000 0.990 375 V HN 0.814 nan 8.190 nan 0.000 0.453 376 T N 6.826 121.434 114.554 0.089 0.000 2.879 376 T HA 0.572 4.922 4.350 -0.001 0.000 0.290 376 T C -0.435 174.288 174.700 0.037 0.000 0.993 376 T CA -0.448 61.676 62.100 0.040 0.000 0.975 376 T CB 1.244 70.124 68.868 0.021 0.000 0.981 376 T HN 0.283 nan 8.240 nan 0.000 0.439 377 L N 2.585 123.819 121.223 0.019 0.000 2.379 377 L HA 0.406 4.746 4.340 -0.001 0.000 0.269 377 L C 0.200 177.079 176.870 0.015 0.000 1.084 377 L CA -0.568 54.283 54.840 0.020 0.000 0.802 377 L CB 0.453 42.519 42.059 0.012 0.000 1.175 377 L HN 0.711 nan 8.230 nan 0.000 0.448 378 D N 1.230 121.642 120.400 0.019 0.000 2.945 378 D HA -0.222 4.418 4.640 -0.001 0.000 0.225 378 D C 1.178 177.491 176.300 0.021 0.000 1.158 378 D CA 0.788 54.797 54.000 0.015 0.000 0.805 378 D CB -0.768 40.034 40.800 0.003 0.000 1.098 378 D HN 0.612 nan 8.370 nan 0.000 0.426 379 M N -0.409 119.211 119.600 0.033 0.000 2.149 379 M HA -0.214 4.265 4.480 -0.001 0.000 0.261 379 M C 2.108 178.436 176.300 0.048 0.000 1.064 379 M CA 1.722 57.048 55.300 0.043 0.000 1.102 379 M CB -0.174 32.461 32.600 0.057 0.000 1.369 379 M HN -0.044 nan 8.290 nan 0.000 0.408 380 E N 0.791 121.017 120.200 0.044 0.000 2.204 380 E HA -0.176 4.174 4.350 -0.001 0.000 0.195 380 E C 1.146 177.766 176.600 0.034 0.000 0.990 380 E CA 1.086 57.512 56.400 0.043 0.000 0.821 380 E CB -0.110 29.611 29.700 0.035 0.000 0.750 380 E HN 0.355 nan 8.360 nan 0.000 0.477 381 D N -1.185 119.229 120.400 0.023 0.000 2.392 381 D HA -0.080 4.560 4.640 -0.001 0.000 0.228 381 D C 0.902 177.214 176.300 0.021 0.000 1.003 381 D CA 0.424 54.430 54.000 0.011 0.000 0.917 381 D CB -0.145 40.653 40.800 -0.003 0.000 0.890 381 D HN 0.309 nan 8.370 nan 0.000 0.532 382 c N 0.332 118.958 118.600 0.044 0.000 2.594 382 c HA 0.265 4.834 4.570 -0.001 0.000 0.265 382 c C 1.575 175.727 174.090 0.103 0.000 1.351 382 c CA -0.562 55.805 56.329 0.064 0.000 1.744 382 c CB -0.786 41.775 42.510 0.084 0.000 1.890 382 c HN 0.193 nan 8.230 nan 0.000 0.551 383 G N -0.525 108.335 108.800 0.101 0.000 2.339 383 G HA2 0.403 4.362 3.960 -0.001 0.000 0.287 383 G HA3 0.403 4.362 3.960 -0.001 0.000 0.287 383 G C -0.799 174.193 174.900 0.155 0.000 1.163 383 G CA -0.034 45.151 45.100 0.142 0.000 0.872 383 G HN 0.466 nan 8.290 nan 0.000 0.464 384 Y N 2.741 123.107 120.300 0.111 0.000 2.425 384 Y HA 0.199 4.749 4.550 -0.001 0.000 0.331 384 Y C 0.872 176.832 175.900 0.100 0.000 1.157 384 Y CA 0.602 58.775 58.100 0.122 0.000 1.372 384 Y CB 1.032 39.616 38.460 0.207 0.000 1.253 384 Y HN 0.685 nan 8.280 nan 0.000 0.536 385 N N 4.108 122.452 118.700 -0.593 0.000 3.225 385 N HA 0.525 5.264 4.740 -0.001 0.000 0.250 385 N C -0.731 174.450 175.510 -0.549 0.000 0.980 385 N CA 0.668 53.500 53.050 -0.363 0.000 1.117 385 N CB 0.638 39.011 38.487 -0.191 0.000 1.488 385 N HN 0.557 nan 8.380 nan 0.000 0.833 386 I N 0.000 120.221 120.570 -0.581 0.000 2.984 386 I HA 0.000 4.170 4.170 -0.001 0.000 0.288 386 I CA 0.000 nan 61.300 nan 0.000 1.566 386 I CB 0.000 nan 38.000 nan 0.000 1.214 386 I HN 0.000 nan 8.210 nan 0.000 0.494