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 2va7_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 XXGGSMIIGG 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 0.000 175.822 175.800 0.037 0.000 0.967 -1 F CA 0.000 58.029 58.000 0.048 0.000 1.383 -1 F CB 0.000 39.029 39.000 0.049 0.000 1.145 0 V N -0.237 119.771 119.914 0.156 0.000 2.392 0 V HA -0.283 3.836 4.120 -0.001 0.000 0.249 0 V C 1.979 178.124 176.094 0.085 0.000 1.059 0 V CA 2.463 64.820 62.300 0.094 0.000 1.051 0 V CB -1.117 30.736 31.823 0.050 0.000 0.658 0 V HN 0.574 nan 8.190 nan 0.000 0.455 1 E N 1.258 121.517 120.200 0.097 0.000 2.136 1 E HA -0.344 4.006 4.350 -0.001 0.000 0.208 1 E C 2.058 178.737 176.600 0.132 0.000 1.035 1 E CA 2.389 58.860 56.400 0.118 0.000 0.838 1 E CB -0.651 29.126 29.700 0.129 0.000 0.748 1 E HN 0.637 nan 8.360 nan 0.000 0.459 2 M N 0.901 120.597 119.600 0.159 0.000 2.465 2 M HA 0.139 4.619 4.480 -0.001 0.000 0.249 2 M C 0.304 176.653 176.300 0.082 0.000 1.130 2 M CA -0.130 55.255 55.300 0.143 0.000 1.067 2 M CB 0.908 33.616 32.600 0.180 0.000 1.394 2 M HN -0.113 nan 8.290 nan 0.000 0.483 3 V N 2.364 122.320 119.914 0.070 0.000 2.763 3 V HA -0.114 4.006 4.120 -0.001 0.000 0.306 3 V C 0.882 176.972 176.094 -0.007 0.000 1.059 3 V CA 0.837 63.156 62.300 0.032 0.000 1.138 3 V CB 0.501 32.341 31.823 0.028 0.000 0.940 3 V HN 0.551 nan 8.190 nan 0.000 0.489 4 D N 2.727 123.118 120.400 -0.014 0.000 2.983 4 D HA -0.196 4.444 4.640 -0.001 0.000 0.225 4 D C 1.048 177.309 176.300 -0.064 0.000 1.174 4 D CA 1.194 55.172 54.000 -0.036 0.000 0.831 4 D CB -0.834 39.939 40.800 -0.046 0.000 1.104 4 D HN 0.907 nan 8.370 nan 0.000 0.421 5 N N 0.161 118.835 118.700 -0.042 0.000 2.449 5 N HA -0.013 4.727 4.740 -0.001 0.000 0.191 5 N C 0.412 175.903 175.510 -0.032 0.000 1.161 5 N CA 0.267 53.294 53.050 -0.037 0.000 0.863 5 N CB -0.128 38.388 38.487 0.047 0.000 0.980 5 N HN 0.394 nan 8.380 nan 0.000 0.458 6 L N -0.120 121.070 121.223 -0.054 0.000 2.342 6 L HA 0.562 4.901 4.340 -0.001 0.000 0.271 6 L C 0.303 177.077 176.870 -0.160 0.000 1.008 6 L CA -0.911 53.874 54.840 -0.092 0.000 0.818 6 L CB 2.013 44.063 42.059 -0.015 0.000 1.296 6 L HN -0.075 nan 8.230 nan 0.000 0.427 7 R N 0.414 120.664 120.500 -0.418 0.000 2.912 7 R HA 0.863 5.203 4.340 -0.001 0.000 0.262 7 R C -0.317 175.651 176.300 -0.554 0.000 1.057 7 R CA -0.487 55.317 56.100 -0.494 0.000 0.981 7 R CB 2.241 32.146 30.300 -0.659 0.000 1.201 7 R HN 0.862 nan 8.270 nan 0.000 0.484 8 G N 0.806 109.399 108.800 -0.344 0.000 2.352 8 G HA2 -0.054 3.906 3.960 -0.001 0.000 0.324 8 G HA3 -0.054 3.906 3.960 -0.001 0.000 0.324 8 G C -1.668 172.851 174.900 -0.635 0.000 1.249 8 G CA -0.499 44.395 45.100 -0.344 0.000 1.053 8 G HN 0.674 nan 8.290 nan 0.000 0.492 9 K N -2.172 117.727 120.400 -0.835 0.000 2.607 9 K HA 0.649 4.969 4.320 -0.001 0.000 0.287 9 K C 1.087 177.408 176.600 -0.465 0.000 0.996 9 K CA 0.140 56.046 56.287 -0.635 0.000 0.876 9 K CB 1.128 33.507 32.500 -0.201 0.000 1.496 9 K HN 1.524 nan 8.250 nan 0.000 0.415 10 S N 0.113 115.777 115.700 -0.060 0.000 2.419 10 S HA -0.126 4.343 4.470 -0.001 0.000 0.235 10 S C 1.800 176.421 174.600 0.034 0.000 1.019 10 S CA 1.585 59.849 58.200 0.106 0.000 0.982 10 S CB -0.824 62.470 63.200 0.157 0.000 0.789 10 S HN 0.783 nan 8.310 nan 0.000 0.490 11 G N 0.419 109.218 108.800 -0.002 0.000 2.421 11 G HA2 -0.105 3.854 3.960 -0.001 0.000 0.216 11 G HA3 -0.105 3.854 3.960 -0.001 0.000 0.216 11 G C 1.534 176.446 174.900 0.021 0.000 1.171 11 G CA 0.807 45.912 45.100 0.008 0.000 0.775 11 G HN 0.609 nan 8.290 nan 0.000 0.543 12 Q N -0.977 118.835 119.800 0.020 0.000 2.245 12 Q HA 0.383 4.722 4.340 -0.001 0.000 0.236 12 Q C 0.647 176.785 176.000 0.230 0.000 0.842 12 Q CA 0.327 56.201 55.803 0.118 0.000 0.945 12 Q CB 1.440 30.246 28.738 0.114 0.000 1.122 12 Q HN 0.529 nan 8.270 nan 0.000 0.506 13 G N 0.350 109.169 108.800 0.031 0.000 2.515 13 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.686 13 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.686 13 G C -1.571 173.225 174.900 -0.173 0.000 1.274 13 G CA -0.996 44.086 45.100 -0.030 0.000 0.874 13 G HN 0.089 nan 8.290 nan 0.000 0.631 14 Y N 0.162 120.426 120.300 -0.061 0.000 2.360 14 Y HA 0.693 5.242 4.550 -0.001 0.000 0.337 14 Y C 0.632 176.467 175.900 -0.108 0.000 1.039 14 Y CA -0.287 57.759 58.100 -0.089 0.000 1.109 14 Y CB 1.779 40.180 38.460 -0.099 0.000 1.201 14 Y HN 0.791 nan 8.280 nan 0.000 0.458 15 Y N 0.231 120.521 120.300 -0.016 0.000 2.545 15 Y HA 0.822 5.372 4.550 -0.001 0.000 0.348 15 Y C -1.677 174.221 175.900 -0.003 0.000 1.002 15 Y CA -1.677 56.380 58.100 -0.073 0.000 1.039 15 Y CB 1.032 39.455 38.460 -0.062 0.000 1.271 15 Y HN 0.424 nan 8.280 nan 0.000 0.467 16 V N 2.016 122.007 119.914 0.128 0.000 2.769 16 V HA 0.387 4.506 4.120 -0.001 0.000 0.312 16 V C -0.667 175.513 176.094 0.143 0.000 1.061 16 V CA -0.844 61.504 62.300 0.080 0.000 0.931 16 V CB 1.762 33.585 31.823 -0.000 0.000 1.010 16 V HN 0.985 nan 8.190 nan 0.000 0.433 17 E N 5.510 125.795 120.200 0.142 0.000 2.316 17 E HA 0.408 4.758 4.350 -0.001 0.000 0.275 17 E C -0.809 175.813 176.600 0.038 0.000 1.029 17 E CA -0.198 56.275 56.400 0.120 0.000 0.871 17 E CB 0.771 30.556 29.700 0.143 0.000 1.022 17 E HN 0.670 nan 8.360 nan 0.000 0.418 18 M N 2.337 121.947 119.600 0.017 0.000 2.644 18 M HA 0.332 4.812 4.480 -0.001 0.000 0.304 18 M C -0.455 175.841 176.300 -0.007 0.000 1.215 18 M CA -0.983 54.298 55.300 -0.030 0.000 0.871 18 M CB 2.377 34.931 32.600 -0.077 0.000 1.740 18 M HN 0.516 nan 8.290 nan 0.000 0.464 19 T N -0.559 113.986 114.554 -0.015 0.000 2.856 19 T HA 0.828 5.178 4.350 -0.001 0.000 0.283 19 T C -0.783 173.926 174.700 0.015 0.000 1.008 19 T CA -0.727 61.374 62.100 0.001 0.000 0.997 19 T CB 1.489 70.356 68.868 -0.002 0.000 0.992 19 T HN 0.441 nan 8.240 nan 0.000 0.454 20 V N 1.514 121.434 119.914 0.010 0.000 2.789 20 V HA 0.894 5.014 4.120 -0.001 0.000 0.311 20 V C 0.813 176.949 176.094 0.070 0.000 1.073 20 V CA 0.124 62.421 62.300 -0.005 0.000 0.921 20 V CB 1.062 32.751 31.823 -0.224 0.000 1.009 20 V HN 1.662 nan 8.190 nan 0.000 0.426 21 G N 3.477 112.354 108.800 0.129 0.000 2.814 21 G HA2 -0.027 3.933 3.960 -0.001 0.000 0.677 21 G HA3 -0.027 3.933 3.960 -0.001 0.000 0.677 21 G C -0.434 174.539 174.900 0.121 0.000 1.429 21 G CA -0.294 44.921 45.100 0.192 0.000 0.868 21 G HN 1.280 nan 8.290 nan 0.000 0.553 22 S N 2.383 118.151 115.700 0.113 0.000 2.596 22 S HA 0.744 5.214 4.470 -0.001 0.000 0.318 22 S C -2.210 172.427 174.600 0.062 0.000 1.097 22 S CA -0.998 57.246 58.200 0.074 0.000 1.080 22 S CB 2.641 65.879 63.200 0.065 0.000 0.991 22 S HN 0.811 nan 8.310 nan 0.000 0.471 23 P HA 0.301 nan 4.420 nan 0.000 0.274 23 P C -2.830 174.497 177.300 0.044 0.000 1.246 23 P CA -1.852 61.270 63.100 0.037 0.000 0.795 23 P CB -0.828 30.886 31.700 0.023 0.000 1.006 24 P HA 0.015 nan 4.420 nan 0.000 0.260 24 P C -0.579 176.739 177.300 0.030 0.000 1.185 24 P CA 0.721 63.840 63.100 0.032 0.000 0.763 24 P CB 0.141 31.850 31.700 0.015 0.000 0.776 25 Q N 1.694 121.520 119.800 0.044 0.000 2.314 25 Q HA 0.290 4.630 4.340 -0.001 0.000 0.259 25 Q C -0.012 175.998 176.000 0.018 0.000 0.951 25 Q CA -0.455 55.367 55.803 0.033 0.000 0.909 25 Q CB 1.021 29.801 28.738 0.070 0.000 1.236 25 Q HN 0.343 nan 8.270 nan 0.000 0.444 26 T N 3.913 118.471 114.554 0.006 0.000 2.851 26 T HA 0.424 4.773 4.350 -0.001 0.000 0.298 26 T C -0.226 174.479 174.700 0.010 0.000 0.977 26 T CA -0.047 62.057 62.100 0.007 0.000 1.126 26 T CB 0.175 69.047 68.868 0.006 0.000 0.916 26 T HN 0.326 nan 8.240 nan 0.000 0.529 27 L N 3.348 124.585 121.223 0.022 0.000 2.409 27 L HA 0.512 4.852 4.340 -0.001 0.000 0.262 27 L C -0.293 176.614 176.870 0.061 0.000 0.992 27 L CA -1.287 53.572 54.840 0.032 0.000 0.817 27 L CB 1.927 44.005 42.059 0.031 0.000 1.350 27 L HN 0.407 nan 8.230 nan 0.000 0.411 28 N N 2.791 121.527 118.700 0.059 0.000 2.434 28 N HA 0.546 5.286 4.740 -0.001 0.000 0.272 28 N C -1.067 174.526 175.510 0.138 0.000 1.040 28 N CA -0.259 52.851 53.050 0.100 0.000 0.956 28 N CB 1.875 40.309 38.487 -0.089 0.000 1.108 28 N HN 0.328 nan 8.380 nan 0.000 0.481 29 I N 2.656 123.321 120.570 0.159 0.000 2.478 29 I HA 0.192 4.361 4.170 -0.001 0.000 0.287 29 I C -0.046 176.048 176.117 -0.039 0.000 1.042 29 I CA -0.821 60.537 61.300 0.096 0.000 1.067 29 I CB 1.698 39.758 38.000 0.099 0.000 1.233 29 I HN 0.310 nan 8.210 nan 0.000 0.431 30 L N 7.462 128.496 121.223 -0.315 0.000 2.601 30 L HA 0.044 4.384 4.340 -0.001 0.000 0.277 30 L C -0.187 176.512 176.870 -0.284 0.000 1.219 30 L CA 0.547 55.051 54.840 -0.559 0.000 0.915 30 L CB 0.535 41.946 42.059 -1.080 0.000 1.160 30 L HN 0.345 nan 8.230 nan 0.000 0.494 31 V N 5.214 125.001 119.914 -0.212 0.000 2.389 31 V HA 0.226 4.346 4.120 -0.001 0.000 0.264 31 V C -0.287 175.703 176.094 -0.174 0.000 1.049 31 V CA -0.260 61.930 62.300 -0.184 0.000 0.932 31 V CB 0.939 32.671 31.823 -0.151 0.000 1.011 31 V HN 0.759 nan 8.190 nan 0.000 0.475 32 D N 3.336 123.636 120.400 -0.166 0.000 2.420 32 D HA 0.206 4.846 4.640 -0.001 0.000 0.255 32 D C 1.139 177.391 176.300 -0.080 0.000 1.185 32 D CA -0.187 53.747 54.000 -0.111 0.000 0.904 32 D CB 1.716 42.462 40.800 -0.090 0.000 1.102 32 D HN 0.575 nan 8.370 nan 0.000 0.534 33 T N -0.259 114.250 114.554 -0.075 0.000 3.160 33 T HA 0.113 4.462 4.350 -0.001 0.000 0.257 33 T C 1.517 176.335 174.700 0.197 0.000 1.147 33 T CA 0.401 62.505 62.100 0.008 0.000 1.064 33 T CB 0.145 68.891 68.868 -0.203 0.000 0.949 33 T HN 0.283 nan 8.240 nan 0.000 0.526 34 G N 0.812 109.685 108.800 0.123 0.000 3.189 34 G HA2 0.438 4.398 3.960 -0.001 0.000 0.225 34 G HA3 0.438 4.398 3.960 -0.001 0.000 0.225 34 G C 0.291 175.278 174.900 0.144 0.000 1.159 34 G CA 0.114 45.322 45.100 0.180 0.000 0.763 34 G HN 0.795 nan 8.290 nan 0.000 0.549 35 S N -2.099 113.646 115.700 0.076 0.000 2.656 35 S HA 0.631 5.100 4.470 -0.001 0.000 0.273 35 S C -0.072 174.560 174.600 0.052 0.000 1.168 35 S CA -0.244 57.997 58.200 0.068 0.000 0.817 35 S CB 1.721 65.002 63.200 0.134 0.000 1.146 35 S HN -0.068 nan 8.310 nan 0.000 0.475 36 S N 0.292 116.043 115.700 0.085 0.000 2.847 36 S HA 0.381 4.850 4.470 -0.001 0.000 0.254 36 S C -0.321 174.377 174.600 0.163 0.000 1.039 36 S CA -0.537 57.717 58.200 0.090 0.000 1.113 36 S CB -0.262 62.970 63.200 0.053 0.000 1.092 36 S HN 0.629 nan 8.310 nan 0.000 0.620 37 N N 1.474 120.307 118.700 0.222 0.000 2.399 37 N HA 0.352 5.092 4.740 -0.001 0.000 0.295 37 N C -1.655 174.027 175.510 0.287 0.000 1.048 37 N CA -0.309 52.908 53.050 0.279 0.000 0.886 37 N CB 1.206 39.928 38.487 0.392 0.000 1.185 37 N HN 0.124 nan 8.380 nan 0.000 0.487 38 F N 2.604 122.607 119.950 0.089 0.000 2.375 38 F HA 0.481 5.008 4.527 -0.001 0.000 0.362 38 F C -0.527 175.256 175.800 -0.028 0.000 1.129 38 F CA -1.511 56.491 58.000 0.004 0.000 1.154 38 F CB -0.116 38.886 39.000 0.004 0.000 1.205 38 F HN 0.393 nan 8.300 nan 0.000 0.513 39 A N 6.629 129.280 122.820 -0.281 0.000 2.375 39 A HA 0.709 5.029 4.320 -0.001 0.000 0.295 39 A C -1.493 175.821 177.584 -0.450 0.000 1.066 39 A CA -0.401 51.336 52.037 -0.500 0.000 0.722 39 A CB 1.143 19.621 19.000 -0.870 0.000 1.206 39 A HN 1.082 nan 8.150 nan 0.000 0.435 40 V N 0.499 120.169 119.914 -0.408 0.000 2.656 40 V HA 0.910 5.030 4.120 -0.001 0.000 0.307 40 V C 0.416 176.500 176.094 -0.016 0.000 1.051 40 V CA -0.179 62.002 62.300 -0.199 0.000 0.893 40 V CB 1.247 32.870 31.823 -0.334 0.000 0.999 40 V HN 1.567 nan 8.190 nan 0.000 0.426 41 G N 2.633 111.501 108.800 0.112 0.000 2.225 41 G HA2 0.483 4.442 3.960 -0.001 0.000 0.245 41 G HA3 0.483 4.442 3.960 -0.001 0.000 0.245 41 G C 0.572 175.544 174.900 0.120 0.000 1.249 41 G CA 0.236 45.393 45.100 0.095 0.000 0.919 41 G HN 1.984 nan 8.290 nan 0.000 0.486 42 A N 1.614 124.491 122.820 0.094 0.000 2.635 42 A HA 0.784 5.104 4.320 -0.001 0.000 0.279 42 A C 0.761 178.342 177.584 -0.006 0.000 1.122 42 A CA 0.778 52.888 52.037 0.121 0.000 0.965 42 A CB 0.196 19.236 19.000 0.067 0.000 1.221 42 A HN 1.771 nan 8.150 nan 0.000 0.566 43 A N 0.369 123.047 122.820 -0.236 0.000 2.587 43 A HA 0.779 5.099 4.320 -0.001 0.000 0.293 43 A C -3.048 173.998 177.584 -0.896 0.000 1.087 43 A CA -1.523 50.210 52.037 -0.507 0.000 0.692 43 A CB 0.946 19.815 19.000 -0.218 0.000 1.291 43 A HN -0.026 nan 8.150 nan 0.000 0.407 44 P HA 0.097 nan 4.420 nan 0.000 0.226 44 P C -0.306 176.808 177.300 -0.310 0.000 1.783 44 P CA 0.192 62.862 63.100 -0.717 0.000 0.980 44 P CB -0.996 30.437 31.700 -0.445 0.000 1.967 45 H N 3.503 122.373 119.070 -0.333 0.000 3.094 45 H HA 0.004 4.559 4.556 -0.001 0.000 0.320 45 H C -0.800 174.398 175.328 -0.217 0.000 1.000 45 H CA -0.617 55.281 56.048 -0.250 0.000 1.413 45 H CB 0.819 30.457 29.762 -0.208 0.000 1.405 45 H HN 0.150 nan 8.280 nan 0.000 0.586 46 P HA -0.158 nan 4.420 nan 0.000 0.223 46 P C 0.908 178.303 177.300 0.158 0.000 1.151 46 P CA 0.884 63.934 63.100 -0.084 0.000 0.787 46 P CB 0.210 31.826 31.700 -0.141 0.000 0.788 47 F N -0.142 119.877 119.950 0.116 0.000 2.451 47 F HA 0.064 4.591 4.527 -0.001 0.000 0.299 47 F C 1.587 177.277 175.800 -0.183 0.000 1.101 47 F CA -0.289 57.709 58.000 -0.003 0.000 1.436 47 F CB -1.236 37.806 39.000 0.071 0.000 1.074 47 F HN -0.144 nan 8.300 nan 0.000 0.553 48 L N 0.056 121.285 121.223 0.009 0.000 2.326 48 L HA 0.138 4.477 4.340 -0.001 0.000 0.278 48 L C 1.777 178.570 176.870 -0.128 0.000 1.092 48 L CA -0.390 54.358 54.840 -0.153 0.000 0.810 48 L CB 0.969 42.900 42.059 -0.214 0.000 1.153 48 L HN 0.086 nan 8.230 nan 0.000 0.439 49 H N 2.566 121.592 119.070 -0.074 0.000 2.428 49 H HA 0.145 4.700 4.556 -0.001 0.000 0.296 49 H C 0.271 175.590 175.328 -0.015 0.000 1.062 49 H CA 0.884 56.908 56.048 -0.041 0.000 1.350 49 H CB 0.501 30.221 29.762 -0.070 0.000 1.403 49 H HN 0.501 nan 8.280 nan 0.000 0.533 50 R N -0.811 119.757 120.500 0.114 0.000 2.663 50 R HA 0.302 4.641 4.340 -0.001 0.000 0.267 50 R C -1.733 174.630 176.300 0.104 0.000 1.038 50 R CA -0.741 55.376 56.100 0.029 0.000 0.886 50 R CB 2.459 32.761 30.300 0.004 0.000 1.249 50 R HN 0.045 nan 8.270 nan 0.000 0.463 51 Y N -1.243 119.042 120.300 -0.025 0.000 2.609 51 Y HA 0.457 5.007 4.550 -0.001 0.000 0.336 51 Y C -1.592 174.340 175.900 0.054 0.000 1.129 51 Y CA -1.457 56.632 58.100 -0.018 0.000 1.040 51 Y CB 0.635 39.063 38.460 -0.054 0.000 1.310 51 Y HN 0.517 nan 8.280 nan 0.000 0.460 52 Y N 2.798 123.139 120.300 0.069 0.000 2.402 52 Y HA 0.385 4.935 4.550 -0.001 0.000 0.333 52 Y C -0.599 175.304 175.900 0.005 0.000 1.076 52 Y CA -0.887 57.202 58.100 -0.020 0.000 1.299 52 Y CB 1.036 39.468 38.460 -0.047 0.000 1.197 52 Y HN 0.743 nan 8.280 nan 0.000 0.517 53 Q N 7.156 126.861 119.800 -0.160 0.000 2.508 53 Q HA 0.286 4.626 4.340 -0.001 0.000 0.247 53 Q C 0.843 176.557 176.000 -0.475 0.000 1.047 53 Q CA -0.441 55.202 55.803 -0.267 0.000 0.783 53 Q CB 1.047 29.693 28.738 -0.153 0.000 1.172 53 Q HN 0.816 nan 8.270 nan 0.000 0.515 54 R N 1.000 121.009 120.500 -0.819 0.000 2.159 54 R HA -0.193 4.146 4.340 -0.001 0.000 0.237 54 R C 2.123 178.161 176.300 -0.436 0.000 1.131 54 R CA 1.359 56.905 56.100 -0.924 0.000 0.982 54 R CB 0.157 29.677 30.300 -1.299 0.000 0.868 54 R HN 0.604 nan 8.270 nan 0.000 0.453 55 Q N 0.836 120.465 119.800 -0.285 0.000 2.291 55 Q HA -0.136 4.204 4.340 -0.001 0.000 0.205 55 Q C 1.530 177.485 176.000 -0.076 0.000 0.970 55 Q CA 1.371 57.094 55.803 -0.133 0.000 0.876 55 Q CB -0.111 28.569 28.738 -0.097 0.000 0.935 55 Q HN 0.421 nan 8.270 nan 0.000 0.455 56 L N 1.268 122.438 121.223 -0.088 0.000 2.591 56 L HA 0.194 4.534 4.340 -0.001 0.000 0.228 56 L C 0.803 177.676 176.870 0.005 0.000 1.133 56 L CA -0.130 54.688 54.840 -0.036 0.000 0.880 56 L CB 0.372 42.406 42.059 -0.042 0.000 1.033 56 L HN 0.022 nan 8.230 nan 0.000 0.450 57 S N -1.045 114.668 115.700 0.021 0.000 2.530 57 S HA 0.215 4.685 4.470 -0.001 0.000 0.322 57 S C 1.189 175.857 174.600 0.113 0.000 1.085 57 S CA -0.616 57.640 58.200 0.093 0.000 1.096 57 S CB 1.329 64.635 63.200 0.176 0.000 0.988 57 S HN 0.265 nan 8.310 nan 0.000 0.466 58 S N 3.371 119.125 115.700 0.089 0.000 2.383 58 S HA -0.140 4.329 4.470 -0.001 0.000 0.229 58 S C 1.717 176.377 174.600 0.100 0.000 1.030 58 S CA 1.724 59.973 58.200 0.081 0.000 1.002 58 S CB -0.992 62.241 63.200 0.056 0.000 0.829 58 S HN 0.910 nan 8.310 nan 0.000 0.467 59 T N -1.797 112.828 114.554 0.119 0.000 3.129 59 T HA 0.151 4.500 4.350 -0.001 0.000 0.251 59 T C 0.366 175.154 174.700 0.146 0.000 1.117 59 T CA -0.362 61.804 62.100 0.111 0.000 1.034 59 T CB -0.669 68.258 68.868 0.099 0.000 0.968 59 T HN 0.426 nan 8.240 nan 0.000 0.526 60 Y N 2.998 123.349 120.300 0.086 0.000 2.497 60 Y HA 0.397 4.946 4.550 -0.001 0.000 0.334 60 Y C 0.157 176.100 175.900 0.072 0.000 1.199 60 Y CA -1.004 57.159 58.100 0.104 0.000 1.425 60 Y CB 0.436 38.949 38.460 0.088 0.000 1.291 60 Y HN 0.022 nan 8.280 nan 0.000 0.562 61 R N 4.635 124.598 120.500 -0.894 0.000 2.514 61 R HA 0.168 4.508 4.340 -0.001 0.000 0.296 61 R C -1.558 174.152 176.300 -0.985 0.000 1.012 61 R CA -1.025 54.633 56.100 -0.736 0.000 0.897 61 R CB 1.266 31.390 30.300 -0.293 0.000 1.184 61 R HN 0.661 nan 8.270 nan 0.000 0.440 62 D N 2.876 122.872 120.400 -0.674 0.000 2.350 62 D HA 0.076 4.716 4.640 -0.001 0.000 0.249 62 D C 0.493 176.721 176.300 -0.119 0.000 1.119 62 D CA -0.014 53.829 54.000 -0.261 0.000 0.886 62 D CB 1.253 42.064 40.800 0.018 0.000 1.195 62 D HN 0.485 nan 8.370 nan 0.000 0.437 63 L N 3.261 124.468 121.223 -0.027 0.000 2.667 63 L HA 0.211 4.551 4.340 -0.001 0.000 0.232 63 L C 0.562 177.450 176.870 0.029 0.000 1.138 63 L CA -0.187 54.655 54.840 0.003 0.000 0.921 63 L CB -0.058 42.018 42.059 0.028 0.000 1.180 63 L HN 0.415 nan 8.230 nan 0.000 0.487 64 R N 1.021 121.547 120.500 0.043 0.000 3.188 64 R HA -0.209 4.131 4.340 -0.001 0.000 0.247 64 R C -0.227 176.099 176.300 0.044 0.000 0.918 64 R CA 0.693 56.819 56.100 0.044 0.000 0.629 64 R CB -1.422 28.895 30.300 0.028 0.000 1.087 64 R HN 0.257 nan 8.270 nan 0.000 0.462 65 K N -0.403 120.032 120.400 0.058 0.000 2.569 65 K HA 0.490 4.809 4.320 -0.001 0.000 0.259 65 K C -0.688 175.955 176.600 0.072 0.000 0.932 65 K CA -0.167 56.153 56.287 0.055 0.000 0.833 65 K CB 1.744 34.275 32.500 0.051 0.000 1.340 65 K HN 0.185 nan 8.250 nan 0.000 0.429 66 G N 1.300 110.137 108.800 0.062 0.000 2.454 66 G HA2 0.653 4.612 3.960 -0.001 0.000 0.329 66 G HA3 0.653 4.612 3.960 -0.001 0.000 0.329 66 G C -0.923 174.015 174.900 0.064 0.000 1.177 66 G CA -0.687 44.458 45.100 0.075 0.000 0.951 66 G HN 0.394 nan 8.290 nan 0.000 0.485 67 V N -0.935 119.022 119.914 0.071 0.000 2.680 67 V HA 0.667 4.787 4.120 -0.001 0.000 0.309 67 V C -1.259 174.803 176.094 -0.053 0.000 1.052 67 V CA -1.310 60.987 62.300 -0.005 0.000 0.908 67 V CB 1.424 33.224 31.823 -0.037 0.000 1.001 67 V HN 0.718 nan 8.190 nan 0.000 0.431 68 Y N 3.111 123.260 120.300 -0.252 0.000 2.331 68 Y HA 0.757 5.307 4.550 -0.001 0.000 0.334 68 Y C -0.782 174.806 175.900 -0.520 0.000 0.960 68 Y CA -0.835 57.069 58.100 -0.326 0.000 1.130 68 Y CB 2.072 40.411 38.460 -0.202 0.000 1.164 68 Y HN 0.517 nan 8.280 nan 0.000 0.458 69 V N 9.153 128.280 119.914 -1.310 0.000 2.320 69 V HA 0.338 4.457 4.120 -0.001 0.000 0.268 69 V C -2.407 172.857 176.094 -1.382 0.000 1.021 69 V CA -1.662 59.810 62.300 -1.380 0.000 0.813 69 V CB 0.800 31.405 31.823 -2.029 0.000 1.054 69 V HN 0.656 nan 8.190 nan 0.000 0.444 70 P HA 0.399 nan 4.420 nan 0.000 0.278 70 P C -1.206 175.695 177.300 -0.664 0.000 1.238 70 P CA 0.033 62.744 63.100 -0.649 0.000 0.794 70 P CB 1.101 32.645 31.700 -0.259 0.000 0.955 71 Y N -1.029 119.228 120.300 -0.073 0.000 2.698 71 Y HA 0.233 4.782 4.550 -0.001 0.000 0.332 71 Y C 2.211 178.124 175.900 0.022 0.000 1.119 71 Y CA -0.735 57.369 58.100 0.007 0.000 1.109 71 Y CB 0.814 39.322 38.460 0.081 0.000 1.308 71 Y HN 0.167 nan 8.280 nan 0.000 0.499 72 T N -0.366 114.323 114.554 0.224 0.000 2.607 72 T HA -0.183 4.167 4.350 -0.001 0.000 0.267 72 T C 0.442 175.206 174.700 0.106 0.000 1.049 72 T CA 1.434 63.606 62.100 0.119 0.000 1.162 72 T CB -0.132 68.785 68.868 0.081 0.000 0.863 72 T HN 0.324 nan 8.240 nan 0.000 0.424 73 Q N 1.048 120.921 119.800 0.122 0.000 3.244 73 Q HA 0.542 4.882 4.340 -0.001 0.000 0.249 73 Q C -0.537 175.559 176.000 0.159 0.000 0.951 73 Q CA -0.122 55.750 55.803 0.115 0.000 0.740 73 Q CB 1.173 29.960 28.738 0.082 0.000 1.334 73 Q HN 0.563 nan 8.270 nan 0.000 0.448 74 G N 1.338 110.265 108.800 0.212 0.000 2.596 74 G HA2 0.495 4.455 3.960 -0.001 0.000 0.296 74 G HA3 0.495 4.455 3.960 -0.001 0.000 0.296 74 G C -1.573 173.460 174.900 0.221 0.000 1.513 74 G CA -0.797 44.476 45.100 0.290 0.000 0.851 74 G HN 0.225 nan 8.290 nan 0.000 0.548 75 K N -0.266 120.199 120.400 0.109 0.000 2.508 75 K HA 0.839 5.159 4.320 -0.001 0.000 0.260 75 K C -0.768 175.709 176.600 -0.205 0.000 0.949 75 K CA -1.073 55.095 56.287 -0.198 0.000 0.834 75 K CB 2.371 34.676 32.500 -0.326 0.000 1.365 75 K HN 0.936 nan 8.250 nan 0.000 0.437 76 W N 0.471 121.421 121.300 -0.582 0.000 3.062 76 W HA 0.683 5.343 4.660 -0.001 0.000 0.336 76 W C -1.526 174.712 176.519 -0.467 0.000 1.224 76 W CA -0.651 56.365 57.345 -0.550 0.000 1.159 76 W CB 1.230 30.219 29.460 -0.785 0.000 1.454 76 W HN 0.823 nan 8.180 nan 0.000 0.569 77 E N 0.351 120.611 120.200 0.101 0.000 2.308 77 E HA 0.601 4.950 4.350 -0.001 0.000 0.275 77 E C -0.644 176.121 176.600 0.274 0.000 0.890 77 E CA -0.464 55.984 56.400 0.081 0.000 0.754 77 E CB 2.577 32.340 29.700 0.106 0.000 1.207 77 E HN 0.809 nan 8.360 nan 0.000 0.426 78 G N 2.183 111.144 108.800 0.269 0.000 2.663 78 G HA2 0.389 4.349 3.960 -0.001 0.000 0.299 78 G HA3 0.389 4.349 3.960 -0.001 0.000 0.299 78 G C -1.421 173.590 174.900 0.185 0.000 1.372 78 G CA -0.695 44.553 45.100 0.246 0.000 0.781 78 G HN 0.445 nan 8.290 nan 0.000 0.491 79 E N -0.116 120.181 120.200 0.162 0.000 2.171 79 E HA 0.482 4.831 4.350 -0.001 0.000 0.271 79 E C -0.562 176.148 176.600 0.183 0.000 0.916 79 E CA -0.493 55.997 56.400 0.149 0.000 0.774 79 E CB 2.550 32.324 29.700 0.124 0.000 1.128 79 E HN 0.255 nan 8.360 nan 0.000 0.403 80 L N 2.370 123.694 121.223 0.168 0.000 2.326 80 L HA 0.659 4.999 4.340 -0.001 0.000 0.278 80 L C 0.644 177.620 176.870 0.178 0.000 1.092 80 L CA -0.108 54.834 54.840 0.171 0.000 0.810 80 L CB 1.060 43.199 42.059 0.133 0.000 1.153 80 L HN 0.695 nan 8.230 nan 0.000 0.439 81 G N 0.689 109.606 108.800 0.195 0.000 2.619 81 G HA2 0.632 4.592 3.960 -0.001 0.000 0.305 81 G HA3 0.632 4.592 3.960 -0.001 0.000 0.305 81 G C -1.265 173.705 174.900 0.116 0.000 1.330 81 G CA -0.108 45.063 45.100 0.117 0.000 0.789 81 G HN 0.553 nan 8.290 nan 0.000 0.487 82 T N -2.160 112.401 114.554 0.013 0.000 2.896 82 T HA 0.763 5.113 4.350 -0.001 0.000 0.297 82 T C -1.435 173.344 174.700 0.130 0.000 1.108 82 T CA -0.570 61.585 62.100 0.091 0.000 1.004 82 T CB 2.979 71.871 68.868 0.041 0.000 1.159 82 T HN 0.692 nan 8.240 nan 0.000 0.499 83 D N -0.272 120.241 120.400 0.189 0.000 2.779 83 D HA 0.378 5.018 4.640 -0.001 0.000 0.331 83 D C -1.294 175.103 176.300 0.162 0.000 1.331 83 D CA -0.659 53.469 54.000 0.213 0.000 0.866 83 D CB 1.525 42.544 40.800 0.363 0.000 1.409 83 D HN 0.677 nan 8.370 nan 0.000 0.486 84 L N 1.197 122.506 121.223 0.144 0.000 2.275 84 L HA 0.580 4.920 4.340 -0.001 0.000 0.288 84 L C -0.425 176.512 176.870 0.111 0.000 1.046 84 L CA -0.779 54.126 54.840 0.107 0.000 0.805 84 L CB 1.510 43.616 42.059 0.080 0.000 1.193 84 L HN 0.096 nan 8.230 nan 0.000 0.426 85 V N 2.209 122.194 119.914 0.119 0.000 2.656 85 V HA 0.580 4.700 4.120 -0.001 0.000 0.307 85 V C -0.272 175.880 176.094 0.095 0.000 1.051 85 V CA -0.442 61.930 62.300 0.120 0.000 0.893 85 V CB 2.007 33.942 31.823 0.187 0.000 0.999 85 V HN 0.796 nan 8.190 nan 0.000 0.426 86 S N 3.754 119.478 115.700 0.039 0.000 2.564 86 S HA 0.762 5.232 4.470 -0.001 0.000 0.274 86 S C -1.203 173.385 174.600 -0.019 0.000 1.124 86 S CA -0.592 57.622 58.200 0.023 0.000 0.869 86 S CB 1.492 64.697 63.200 0.008 0.000 1.105 86 S HN 0.557 nan 8.310 nan 0.000 0.472 87 I N 4.490 125.054 120.570 -0.010 0.000 2.405 87 I HA 0.325 4.495 4.170 -0.001 0.000 0.280 87 I C -1.873 174.209 176.117 -0.058 0.000 1.027 87 I CA -2.297 58.982 61.300 -0.034 0.000 1.161 87 I CB 1.714 39.712 38.000 -0.004 0.000 1.300 87 I HN 0.463 nan 8.210 nan 0.000 0.463 88 P HA -0.201 nan 4.420 nan 0.000 0.215 88 P C 0.599 177.695 177.300 -0.340 0.000 1.163 88 P CA 1.634 64.559 63.100 -0.291 0.000 0.894 88 P CB 0.040 31.464 31.700 -0.461 0.000 0.791 89 H N -1.164 117.924 119.070 0.030 0.000 2.579 89 H HA 0.512 5.068 4.556 -0.001 0.000 0.289 89 H C 1.038 176.397 175.328 0.052 0.000 1.270 89 H CA 0.059 56.130 56.048 0.040 0.000 1.060 89 H CB -0.366 29.416 29.762 0.033 0.000 1.554 89 H HN 0.120 nan 8.280 nan 0.000 0.515 90 G N 0.867 109.731 108.800 0.107 0.000 3.243 90 G HA2 0.336 4.296 3.960 -0.001 0.000 0.248 90 G HA3 0.336 4.296 3.960 -0.001 0.000 0.248 90 G C -2.640 172.325 174.900 0.109 0.000 1.267 90 G CA -1.422 43.746 45.100 0.113 0.000 0.906 90 G HN -0.049 nan 8.290 nan 0.000 0.592 91 P HA 0.104 nan 4.420 nan 0.000 0.268 91 P C -0.660 176.668 177.300 0.047 0.000 1.205 91 P CA -0.105 63.050 63.100 0.091 0.000 0.771 91 P CB 0.766 32.513 31.700 0.078 0.000 0.858 92 N N 1.889 120.611 118.700 0.037 0.000 2.819 92 N HA 0.247 4.987 4.740 -0.001 0.000 0.284 92 N C -0.120 175.392 175.510 0.004 0.000 1.196 92 N CA -0.355 52.705 53.050 0.016 0.000 1.114 92 N CB -0.466 38.030 38.487 0.014 0.000 1.437 92 N HN 0.208 nan 8.380 nan 0.000 0.518 93 V N -1.279 118.632 119.914 -0.004 0.000 3.165 93 V HA 0.745 4.865 4.120 -0.001 0.000 0.309 93 V C -0.323 175.761 176.094 -0.017 0.000 1.267 93 V CA -0.750 61.536 62.300 -0.023 0.000 1.067 93 V CB 1.966 33.758 31.823 -0.052 0.000 1.082 93 V HN 0.128 nan 8.190 nan 0.000 0.451 94 T N 1.149 115.687 114.554 -0.027 0.000 3.032 94 T HA 0.708 5.058 4.350 -0.001 0.000 0.312 94 T C -0.714 173.970 174.700 -0.026 0.000 1.078 94 T CA -0.193 61.903 62.100 -0.007 0.000 1.028 94 T CB 1.434 70.304 68.868 0.004 0.000 1.091 94 T HN 1.620 nan 8.240 nan 0.000 0.457 95 V N 1.011 120.918 119.914 -0.013 0.000 3.074 95 V HA 0.780 4.899 4.120 -0.001 0.000 0.314 95 V C -0.344 175.759 176.094 0.016 0.000 1.117 95 V CA -1.575 60.697 62.300 -0.047 0.000 1.014 95 V CB 2.013 33.739 31.823 -0.162 0.000 1.057 95 V HN 0.846 nan 8.190 nan 0.000 0.438 96 R N 1.698 122.199 120.500 0.003 0.000 2.198 96 R HA 0.773 5.113 4.340 -0.001 0.000 0.339 96 R C -0.308 176.026 176.300 0.058 0.000 1.020 96 R CA 0.236 56.362 56.100 0.044 0.000 0.864 96 R CB 0.748 31.062 30.300 0.025 0.000 1.105 96 R HN 1.233 nan 8.270 nan 0.000 0.463 97 A N 4.209 127.114 122.820 0.141 0.000 2.356 97 A HA 0.434 4.754 4.320 -0.001 0.000 0.323 97 A C -0.829 176.894 177.584 0.231 0.000 1.119 97 A CA -1.068 51.092 52.037 0.205 0.000 0.790 97 A CB 1.075 20.309 19.000 0.390 0.000 1.273 97 A HN 0.796 nan 8.150 nan 0.000 0.452 98 N N 0.356 119.190 118.700 0.223 0.000 2.454 98 N HA 0.307 5.047 4.740 -0.001 0.000 0.254 98 N C -0.747 174.942 175.510 0.298 0.000 1.228 98 N CA 0.763 53.946 53.050 0.221 0.000 0.900 98 N CB 0.403 39.004 38.487 0.190 0.000 1.089 98 N HN 0.522 nan 8.380 nan 0.000 0.449 99 I N 0.471 121.161 120.570 0.201 0.000 2.571 99 I HA 0.306 4.476 4.170 -0.001 0.000 0.289 99 I C -0.446 175.719 176.117 0.080 0.000 1.115 99 I CA -1.049 60.274 61.300 0.038 0.000 1.045 99 I CB 1.973 39.943 38.000 -0.051 0.000 1.238 99 I HN 0.353 nan 8.210 nan 0.000 0.424 100 A N 4.878 127.700 122.820 0.003 0.000 2.279 100 A HA 0.749 5.068 4.320 -0.001 0.000 0.306 100 A C 0.352 177.932 177.584 -0.006 0.000 1.300 100 A CA -0.417 51.668 52.037 0.080 0.000 0.925 100 A CB 0.431 19.532 19.000 0.169 0.000 1.152 100 A HN 0.825 nan 8.150 nan 0.000 0.544 101 A N 3.926 126.812 122.820 0.110 0.000 2.410 101 A HA 0.501 4.821 4.320 -0.001 0.000 0.292 101 A C 0.099 177.726 177.584 0.071 0.000 1.232 101 A CA -0.196 51.907 52.037 0.110 0.000 0.893 101 A CB -0.499 18.564 19.000 0.105 0.000 1.131 101 A HN 0.767 nan 8.150 nan 0.000 0.530 102 I N 3.511 124.090 120.570 0.015 0.000 2.436 102 I HA 0.073 4.242 4.170 -0.001 0.000 0.289 102 I C 1.555 177.723 176.117 0.085 0.000 1.083 102 I CA 0.299 61.621 61.300 0.038 0.000 1.372 102 I CB 1.192 39.157 38.000 -0.060 0.000 1.408 102 I HN 0.840 nan 8.210 nan 0.000 0.516 103 T N 1.134 115.748 114.554 0.100 0.000 2.990 103 T HA 0.221 4.571 4.350 -0.001 0.000 0.250 103 T C 0.412 175.157 174.700 0.075 0.000 1.041 103 T CA -0.141 61.998 62.100 0.065 0.000 1.010 103 T CB 0.378 69.279 68.868 0.054 0.000 1.003 103 T HN 0.613 nan 8.240 nan 0.000 0.499 104 E N 0.736 121.001 120.200 0.108 0.000 2.363 104 E HA 0.495 4.844 4.350 -0.001 0.000 0.281 104 E C -1.746 174.916 176.600 0.103 0.000 0.953 104 E CA -0.567 55.895 56.400 0.104 0.000 0.778 104 E CB 2.077 31.828 29.700 0.085 0.000 1.220 104 E HN 0.339 nan 8.360 nan 0.000 0.431 105 S N 2.486 118.253 115.700 0.111 0.000 2.547 105 S HA 0.553 5.023 4.470 -0.001 0.000 0.270 105 S C -1.650 173.010 174.600 0.100 0.000 1.150 105 S CA -1.003 57.232 58.200 0.057 0.000 0.850 105 S CB 1.934 65.103 63.200 -0.053 0.000 1.118 105 S HN 0.465 nan 8.310 nan 0.000 0.461 106 D N 0.290 120.745 120.400 0.091 0.000 2.896 106 D HA 0.470 5.110 4.640 -0.001 0.000 0.241 106 D C -0.778 175.619 176.300 0.162 0.000 1.188 106 D CA -0.442 53.632 54.000 0.123 0.000 0.879 106 D CB 1.208 42.064 40.800 0.093 0.000 1.553 106 D HN 0.721 nan 8.370 nan 0.000 0.515 107 K N 1.912 122.419 120.400 0.178 0.000 3.069 107 K HA -0.255 4.065 4.320 -0.001 0.000 0.267 107 K C -0.047 176.673 176.600 0.200 0.000 1.082 107 K CA 0.470 56.866 56.287 0.182 0.000 0.782 107 K CB -1.198 31.390 32.500 0.146 0.000 1.230 107 K HN 0.432 nan 8.250 nan 0.000 0.488 108 F N 0.312 120.254 119.950 -0.014 0.000 2.394 108 F HA 0.245 4.772 4.527 -0.001 0.000 0.269 108 F C 0.741 176.453 175.800 -0.145 0.000 1.012 108 F CA 0.015 57.944 58.000 -0.119 0.000 1.138 108 F CB 0.187 39.006 39.000 -0.301 0.000 1.140 108 F HN -0.090 nan 8.300 nan 0.000 0.623 109 F N 2.152 122.130 119.950 0.047 0.000 2.553 109 F HA 0.168 4.695 4.527 -0.001 0.000 0.356 109 F C 0.230 175.980 175.800 -0.083 0.000 1.142 109 F CA -0.133 57.757 58.000 -0.183 0.000 1.322 109 F CB -0.352 38.514 39.000 -0.223 0.000 1.126 109 F HN -0.169 nan 8.300 nan 0.000 0.599 110 I N 2.699 123.201 120.570 -0.114 0.000 2.331 110 I HA 0.129 4.298 4.170 -0.001 0.000 0.292 110 I C 0.102 176.033 176.117 -0.311 0.000 0.998 110 I CA -0.773 60.423 61.300 -0.172 0.000 1.267 110 I CB 0.930 38.788 38.000 -0.238 0.000 1.386 110 I HN 0.450 nan 8.210 nan 0.000 0.476 111 N N 4.828 123.151 118.700 -0.628 0.000 2.438 111 N HA 0.190 4.930 4.740 -0.001 0.000 0.267 111 N C 0.756 175.955 175.510 -0.518 0.000 1.222 111 N CA 1.321 53.708 53.050 -1.106 0.000 0.930 111 N CB 0.689 38.238 38.487 -1.562 0.000 1.083 111 N HN 0.868 nan 8.380 nan 0.000 0.476 112 G N 1.513 110.089 108.800 -0.374 0.000 2.195 112 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.224 112 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.224 112 G C 0.187 175.002 174.900 -0.142 0.000 0.990 112 G CA 0.310 45.286 45.100 -0.206 0.000 0.639 112 G HN 0.963 nan 8.290 nan 0.000 0.514 113 S N -0.678 114.883 115.700 -0.231 0.000 2.632 113 S HA 0.513 4.982 4.470 -0.001 0.000 0.267 113 S C 0.682 175.148 174.600 -0.223 0.000 1.276 113 S CA 0.317 58.343 58.200 -0.290 0.000 0.998 113 S CB 1.616 64.428 63.200 -0.647 0.000 0.953 113 S HN 0.369 nan 8.310 nan 0.000 0.547 114 N N 0.748 119.268 118.700 -0.301 0.000 2.275 114 N HA 0.170 4.909 4.740 -0.001 0.000 0.236 114 N C -0.655 174.537 175.510 -0.529 0.000 1.154 114 N CA -0.510 52.308 53.050 -0.387 0.000 0.866 114 N CB 0.304 38.589 38.487 -0.337 0.000 1.093 114 N HN 0.807 nan 8.380 nan 0.000 0.515 115 W N -0.230 120.798 121.300 -0.453 0.000 2.902 115 W HA 0.516 5.175 4.660 -0.001 0.000 0.346 115 W C -0.713 175.718 176.519 -0.147 0.000 1.139 115 W CA -0.637 56.475 57.345 -0.387 0.000 1.139 115 W CB 0.651 29.868 29.460 -0.404 0.000 1.439 115 W HN -0.152 nan 8.180 nan 0.000 0.558 116 E N 0.739 121.098 120.200 0.264 0.000 2.715 116 E HA 0.376 4.726 4.350 -0.001 0.000 0.224 116 E C 0.350 177.120 176.600 0.283 0.000 0.962 116 E CA -0.011 56.430 56.400 0.067 0.000 1.145 116 E CB 1.452 31.140 29.700 -0.019 0.000 1.083 116 E HN 0.688 nan 8.360 nan 0.000 0.506 117 G N -0.020 109.085 108.800 0.507 0.000 2.488 117 G HA2 0.527 4.487 3.960 -0.001 0.000 0.301 117 G HA3 0.527 4.487 3.960 -0.001 0.000 0.301 117 G C -1.827 173.218 174.900 0.242 0.000 1.339 117 G CA -0.714 44.590 45.100 0.341 0.000 0.803 117 G HN -0.044 nan 8.290 nan 0.000 0.482 118 I N 0.415 121.055 120.570 0.117 0.000 2.533 118 I HA 0.438 4.608 4.170 -0.001 0.000 0.290 118 I C -1.148 175.050 176.117 0.134 0.000 1.056 118 I CA -0.846 60.479 61.300 0.042 0.000 1.057 118 I CB 1.601 39.655 38.000 0.090 0.000 1.240 118 I HN 0.413 nan 8.210 nan 0.000 0.423 119 L N 5.758 126.996 121.223 0.025 0.000 2.283 119 L HA 0.663 5.003 4.340 -0.001 0.000 0.281 119 L C 0.326 177.172 176.870 -0.041 0.000 1.033 119 L CA -0.066 54.761 54.840 -0.022 0.000 0.848 119 L CB 0.872 42.788 42.059 -0.239 0.000 1.226 119 L HN 0.685 nan 8.230 nan 0.000 0.429 120 G N 5.150 113.985 108.800 0.059 0.000 2.351 120 G HA2 0.434 4.394 3.960 -0.001 0.000 0.287 120 G HA3 0.434 4.394 3.960 -0.001 0.000 0.287 120 G C 0.325 175.237 174.900 0.020 0.000 1.159 120 G CA -0.355 44.779 45.100 0.056 0.000 0.929 120 G HN 0.724 nan 8.290 nan 0.000 0.435 121 L N 1.985 123.183 121.223 -0.043 0.000 2.766 121 L HA 0.292 4.632 4.340 -0.001 0.000 0.242 121 L C 1.860 178.727 176.870 -0.006 0.000 1.136 121 L CA -0.118 54.657 54.840 -0.108 0.000 0.933 121 L CB 0.159 41.978 42.059 -0.400 0.000 1.241 121 L HN 0.593 nan 8.230 nan 0.000 0.522 122 A N -0.665 122.146 122.820 -0.015 0.000 2.296 122 A HA 0.373 4.693 4.320 -0.001 0.000 0.276 122 A C -0.683 176.730 177.584 -0.286 0.000 1.356 122 A CA 0.075 51.948 52.037 -0.273 0.000 0.825 122 A CB 0.021 18.906 19.000 -0.192 0.000 1.308 122 A HN 0.092 nan 8.150 nan 0.000 0.515 123 Y N -2.253 117.949 120.300 -0.163 0.000 2.458 123 Y HA 0.462 5.012 4.550 -0.001 0.000 0.322 123 Y C 1.652 177.550 175.900 -0.003 0.000 1.259 123 Y CA 0.153 58.222 58.100 -0.051 0.000 1.302 123 Y CB 1.052 39.480 38.460 -0.054 0.000 1.314 123 Y HN 0.669 nan 8.280 nan 0.000 0.509 124 A N 0.490 123.446 122.820 0.226 0.000 1.986 124 A HA -0.280 4.039 4.320 -0.001 0.000 0.220 124 A C 1.958 179.611 177.584 0.115 0.000 1.171 124 A CA 2.182 54.306 52.037 0.144 0.000 0.640 124 A CB -0.726 18.352 19.000 0.129 0.000 0.811 124 A HN 0.888 nan 8.150 nan 0.000 0.451 125 E N 0.478 120.756 120.200 0.131 0.000 2.130 125 E HA -0.190 4.160 4.350 -0.001 0.000 0.196 125 E C 1.496 178.163 176.600 0.111 0.000 0.998 125 E CA 1.730 58.203 56.400 0.121 0.000 0.806 125 E CB -0.394 29.408 29.700 0.170 0.000 0.738 125 E HN 0.823 nan 8.360 nan 0.000 0.459 126 I N -2.830 117.775 120.570 0.058 0.000 3.941 126 I HA 0.481 4.650 4.170 -0.001 0.000 0.335 126 I C 0.463 176.588 176.117 0.013 0.000 1.402 126 I CA -0.420 60.868 61.300 -0.020 0.000 1.112 126 I CB 0.196 38.016 38.000 -0.300 0.000 1.043 126 I HN -0.013 nan 8.210 nan 0.000 0.395 127 A N 1.780 124.633 122.820 0.054 0.000 2.511 127 A HA 0.410 4.730 4.320 -0.001 0.000 0.242 127 A C 0.122 177.746 177.584 0.067 0.000 1.069 127 A CA 0.005 52.091 52.037 0.082 0.000 0.763 127 A CB 0.112 19.171 19.000 0.098 0.000 1.001 127 A HN 0.552 nan 8.150 nan 0.000 0.498 128 R N 2.736 123.278 120.500 0.070 0.000 2.428 128 R HA 0.413 4.753 4.340 -0.001 0.000 0.294 128 R C -1.651 174.677 176.300 0.047 0.000 1.000 128 R CA -1.556 54.555 56.100 0.019 0.000 0.960 128 R CB 1.234 31.488 30.300 -0.076 0.000 1.076 128 R HN 0.572 nan 8.270 nan 0.000 0.475 129 P HA -0.019 nan 4.420 nan 0.000 0.230 129 P C -0.887 176.424 177.300 0.018 0.000 1.168 129 P CA 0.900 64.002 63.100 0.003 0.000 0.793 129 P CB 0.355 32.060 31.700 0.009 0.000 0.851 130 D N -1.760 118.662 120.400 0.036 0.000 2.677 130 D HA 0.092 4.732 4.640 -0.001 0.000 0.298 130 D C 0.031 176.362 176.300 0.053 0.000 1.250 130 D CA -0.642 53.382 54.000 0.040 0.000 0.888 130 D CB -0.289 40.530 40.800 0.033 0.000 1.397 130 D HN -0.294 nan 8.370 nan 0.000 0.461 131 D N -0.857 119.575 120.400 0.052 0.000 2.371 131 D HA -0.089 4.551 4.640 -0.001 0.000 0.234 131 D C 1.055 177.391 176.300 0.061 0.000 1.049 131 D CA 0.710 54.747 54.000 0.061 0.000 0.907 131 D CB -0.348 40.486 40.800 0.058 0.000 0.891 131 D HN 0.279 nan 8.370 nan 0.000 0.531 132 S N -0.681 115.052 115.700 0.054 0.000 2.524 132 S HA 0.054 4.524 4.470 -0.001 0.000 0.216 132 S C 0.781 175.418 174.600 0.061 0.000 0.987 132 S CA -0.657 57.574 58.200 0.051 0.000 0.909 132 S CB -0.400 62.824 63.200 0.041 0.000 0.781 132 S HN 0.174 nan 8.310 nan 0.000 0.521 133 L N 3.602 124.869 121.223 0.072 0.000 2.433 133 L HA 0.349 4.689 4.340 -0.001 0.000 0.284 133 L C 0.231 177.161 176.870 0.100 0.000 1.120 133 L CA -0.091 54.802 54.840 0.089 0.000 0.879 133 L CB 0.064 42.184 42.059 0.103 0.000 1.232 133 L HN 0.343 nan 8.230 nan 0.000 0.454 134 E N 7.003 127.258 120.200 0.091 0.000 2.406 134 E HA 0.113 4.463 4.350 -0.001 0.000 0.258 134 E C -2.186 174.484 176.600 0.118 0.000 1.043 134 E CA -1.398 55.057 56.400 0.091 0.000 0.929 134 E CB 0.519 30.257 29.700 0.064 0.000 0.969 134 E HN 0.429 nan 8.360 nan 0.000 0.462 135 P HA -0.049 nan 4.420 nan 0.000 0.270 135 P C -0.031 177.370 177.300 0.168 0.000 1.223 135 P CA -0.191 63.009 63.100 0.167 0.000 0.785 135 P CB 0.359 32.146 31.700 0.146 0.000 0.923 136 F N 1.620 121.597 119.950 0.045 0.000 2.120 136 F HA -0.236 4.291 4.527 -0.001 0.000 0.300 136 F C 1.850 177.623 175.800 -0.045 0.000 1.095 136 F CA 1.598 59.570 58.000 -0.046 0.000 1.249 136 F CB -0.589 38.288 39.000 -0.204 0.000 0.995 136 F HN 0.210 nan 8.300 nan 0.000 0.480 137 F N 1.107 120.989 119.950 -0.112 0.000 2.234 137 F HA -0.082 4.444 4.527 -0.001 0.000 0.296 137 F C 2.020 177.709 175.800 -0.185 0.000 1.089 137 F CA 1.674 59.545 58.000 -0.216 0.000 1.343 137 F CB -0.528 38.437 39.000 -0.058 0.000 1.040 137 F HN -0.069 nan 8.300 nan 0.000 0.498 138 D N -0.520 119.928 120.400 0.081 0.000 2.123 138 D HA -0.188 4.451 4.640 -0.001 0.000 0.196 138 D C 2.375 178.610 176.300 -0.108 0.000 0.992 138 D CA 1.745 55.769 54.000 0.040 0.000 0.833 138 D CB -0.576 40.278 40.800 0.090 0.000 0.954 138 D HN 0.157 nan 8.370 nan 0.000 0.455 139 S N 0.013 115.597 115.700 -0.192 0.000 2.368 139 S HA -0.085 4.384 4.470 -0.001 0.000 0.224 139 S C 1.790 176.174 174.600 -0.360 0.000 1.029 139 S CA 0.275 58.336 58.200 -0.231 0.000 0.988 139 S CB -0.281 62.793 63.200 -0.211 0.000 0.838 139 S HN 0.179 nan 8.310 nan 0.000 0.462 140 L N 1.812 122.656 121.223 -0.632 0.000 2.046 140 L HA -0.034 4.305 4.340 -0.001 0.000 0.208 140 L C 2.121 178.707 176.870 -0.473 0.000 1.077 140 L CA 1.571 55.989 54.840 -0.703 0.000 0.747 140 L CB -0.543 40.825 42.059 -1.151 0.000 0.896 140 L HN 0.121 nan 8.230 nan 0.000 0.432 141 V N -0.698 118.969 119.914 -0.412 0.000 2.379 141 V HA -0.235 3.884 4.120 -0.001 0.000 0.245 141 V C 2.610 178.628 176.094 -0.127 0.000 1.044 141 V CA 1.833 64.007 62.300 -0.210 0.000 1.036 141 V CB -0.502 31.277 31.823 -0.073 0.000 0.664 141 V HN 0.410 nan 8.190 nan 0.000 0.453 142 K N -0.173 120.155 120.400 -0.121 0.000 2.057 142 K HA -0.197 4.123 4.320 -0.001 0.000 0.207 142 K C 2.171 178.707 176.600 -0.107 0.000 1.049 142 K CA 1.656 57.895 56.287 -0.080 0.000 0.931 142 K CB -0.086 32.376 32.500 -0.063 0.000 0.714 142 K HN 0.505 nan 8.250 nan 0.000 0.440 143 Q N -0.635 119.073 119.800 -0.154 0.000 2.408 143 Q HA 0.024 4.364 4.340 -0.001 0.000 0.205 143 Q C 0.281 176.154 176.000 -0.211 0.000 0.919 143 Q CA 0.698 56.406 55.803 -0.158 0.000 0.932 143 Q CB 1.002 29.651 28.738 -0.148 0.000 1.058 143 Q HN 0.360 nan 8.270 nan 0.000 0.517 144 T N -3.709 110.702 114.554 -0.239 0.000 2.693 144 T HA 0.255 4.605 4.350 -0.001 0.000 0.278 144 T C 0.150 174.671 174.700 -0.298 0.000 0.994 144 T CA -0.822 61.100 62.100 -0.295 0.000 1.033 144 T CB 1.018 69.766 68.868 -0.200 0.000 1.342 144 T HN -0.013 nan 8.240 nan 0.000 0.538 145 H N -0.481 118.566 119.070 -0.038 0.000 2.505 145 H HA 0.407 4.963 4.556 -0.001 0.000 0.289 145 H C 0.172 175.498 175.328 -0.004 0.000 1.052 145 H CA -0.272 55.766 56.048 -0.016 0.000 1.156 145 H CB -0.313 29.447 29.762 -0.003 0.000 1.507 145 H HN 0.274 nan 8.280 nan 0.000 0.548 146 V N 4.105 124.046 119.914 0.045 0.000 2.485 146 V HA 0.029 4.149 4.120 -0.001 0.000 0.287 146 V C -1.749 174.388 176.094 0.071 0.000 1.022 146 V CA -1.061 61.263 62.300 0.041 0.000 1.067 146 V CB 0.685 32.470 31.823 -0.063 0.000 0.967 146 V HN 0.156 nan 8.190 nan 0.000 0.479 147 P HA 0.061 nan 4.420 nan 0.000 0.269 147 P C -0.001 177.420 177.300 0.203 0.000 1.209 147 P CA -0.312 62.873 63.100 0.142 0.000 0.776 147 P CB 0.322 32.109 31.700 0.144 0.000 0.876 148 N N 2.595 121.422 118.700 0.211 0.000 3.127 148 N HA 0.119 4.858 4.740 -0.001 0.000 0.317 148 N C -0.703 174.991 175.510 0.308 0.000 1.242 148 N CA 0.137 53.384 53.050 0.328 0.000 1.203 148 N CB -1.308 37.324 38.487 0.241 0.000 1.462 148 N HN 0.323 nan 8.380 nan 0.000 0.546 149 L N -1.775 119.657 121.223 0.348 0.000 2.710 149 L HA 0.767 5.107 4.340 -0.001 0.000 0.260 149 L C -1.414 175.579 176.870 0.206 0.000 0.993 149 L CA -1.261 53.658 54.840 0.132 0.000 0.877 149 L CB 1.371 43.437 42.059 0.011 0.000 1.461 149 L HN -0.044 nan 8.230 nan 0.000 0.413 150 F N -0.503 119.378 119.950 -0.115 0.000 2.643 150 F HA 0.955 5.482 4.527 -0.001 0.000 0.314 150 F C -0.835 174.883 175.800 -0.137 0.000 1.096 150 F CA -0.534 57.393 58.000 -0.121 0.000 0.953 150 F CB 1.621 40.503 39.000 -0.197 0.000 1.345 150 F HN 0.709 nan 8.300 nan 0.000 0.468 151 S N 1.505 117.184 115.700 -0.034 0.000 2.549 151 S HA 0.842 5.312 4.470 -0.001 0.000 0.280 151 S C -1.544 173.040 174.600 -0.027 0.000 1.109 151 S CA -0.830 57.237 58.200 -0.220 0.000 0.905 151 S CB 1.838 64.738 63.200 -0.501 0.000 1.081 151 S HN 0.846 nan 8.310 nan 0.000 0.477 152 L N 1.995 123.167 121.223 -0.085 0.000 2.356 152 L HA 0.554 4.893 4.340 -0.001 0.000 0.277 152 L C -0.332 176.566 176.870 0.047 0.000 0.996 152 L CA -0.397 54.452 54.840 0.014 0.000 0.822 152 L CB 1.981 44.062 42.059 0.037 0.000 1.256 152 L HN 0.768 nan 8.230 nan 0.000 0.413 153 Q N 5.026 124.902 119.800 0.127 0.000 2.456 153 Q HA 0.452 4.792 4.340 -0.001 0.000 0.252 153 Q C -1.492 174.472 176.000 -0.060 0.000 1.042 153 Q CA -0.577 55.301 55.803 0.125 0.000 0.766 153 Q CB 1.102 29.954 28.738 0.190 0.000 1.196 153 Q HN 0.621 nan 8.270 nan 0.000 0.504 154 L N 3.514 124.626 121.223 -0.185 0.000 2.265 154 L HA 0.298 4.637 4.340 -0.001 0.000 0.288 154 L C 0.466 177.217 176.870 -0.200 0.000 1.058 154 L CA -0.696 53.853 54.840 -0.485 0.000 0.809 154 L CB 0.807 42.370 42.059 -0.828 0.000 1.179 154 L HN 0.779 nan 8.230 nan 0.000 0.429 155 c N 1.127 119.696 118.600 -0.052 0.000 3.370 155 c HA 0.222 4.792 4.570 -0.001 0.000 0.266 155 c C 1.723 175.902 174.090 0.149 0.000 1.700 155 c CA 0.481 56.847 56.329 0.062 0.000 1.602 155 c CB -0.665 41.880 42.510 0.057 0.000 1.778 155 c HN 1.112 nan 8.230 nan 0.000 0.728 156 G N 1.522 110.459 108.800 0.228 0.000 2.421 156 G HA2 0.050 4.010 3.960 -0.001 0.000 0.300 156 G HA3 0.050 4.010 3.960 -0.001 0.000 0.300 156 G C 0.137 175.086 174.900 0.081 0.000 0.974 156 G CA 0.522 45.718 45.100 0.160 0.000 1.062 156 G HN 0.997 nan 8.290 nan 0.000 0.514 172 G N -1.144 107.687 108.800 0.051 0.000 2.345 172 G HA2 0.534 4.493 3.960 -0.001 0.000 0.285 172 G HA3 0.534 4.493 3.960 -0.001 0.000 0.285 172 G C -1.568 173.329 174.900 -0.004 0.000 1.297 172 G CA 0.606 45.711 45.100 0.008 0.000 0.875 172 G HN 1.354 nan 8.290 nan 0.000 0.506 173 S N -0.288 115.412 115.700 -0.001 0.000 2.575 173 S HA 0.667 5.137 4.470 -0.001 0.000 0.278 173 S C -0.553 174.070 174.600 0.038 0.000 1.139 173 S CA -0.469 57.745 58.200 0.023 0.000 0.954 173 S CB 1.665 64.890 63.200 0.041 0.000 1.054 173 S HN 0.807 nan 8.310 nan 0.000 0.483 174 M N 4.789 124.410 119.600 0.034 0.000 2.072 174 M HA 0.501 4.981 4.480 -0.001 0.000 0.331 174 M C -1.722 174.616 176.300 0.064 0.000 1.004 174 M CA -0.690 54.637 55.300 0.046 0.000 0.952 174 M CB 0.285 32.886 32.600 0.001 0.000 1.511 174 M HN 0.451 nan 8.290 nan 0.000 0.422 175 I N 6.774 127.380 120.570 0.061 0.000 2.307 175 I HA 0.312 4.481 4.170 -0.001 0.000 0.289 175 I C -0.045 176.087 176.117 0.024 0.000 1.021 175 I CA -0.507 60.776 61.300 -0.028 0.000 1.224 175 I CB 0.485 38.364 38.000 -0.202 0.000 1.376 175 I HN 0.640 nan 8.210 nan 0.000 0.470 176 I N 5.228 125.857 120.570 0.097 0.000 2.371 176 I HA 0.302 4.471 4.170 -0.001 0.000 0.290 176 I C 1.305 177.534 176.117 0.186 0.000 1.028 176 I CA 0.177 61.613 61.300 0.226 0.000 1.345 176 I CB 0.971 39.103 38.000 0.220 0.000 1.407 176 I HN 0.887 nan 8.210 nan 0.000 0.501 177 G N 4.445 113.398 108.800 0.256 0.000 2.176 177 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.253 177 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.253 177 G C 0.381 175.359 174.900 0.130 0.000 0.979 177 G CA 0.042 45.275 45.100 0.222 0.000 0.641 177 G HN 1.173 nan 8.290 nan 0.000 0.530 178 G N -1.277 107.455 108.800 -0.113 0.000 2.578 178 G HA2 0.663 4.622 3.960 -0.001 0.000 0.302 178 G HA3 0.663 4.622 3.960 -0.001 0.000 0.302 178 G C -1.600 173.079 174.900 -0.368 0.000 1.243 178 G CA -0.255 44.706 45.100 -0.232 0.000 0.843 178 G HN 0.802 nan 8.290 nan 0.000 0.486 179 I N 0.343 120.716 120.570 -0.329 0.000 2.686 179 I HA 0.448 4.617 4.170 -0.001 0.000 0.295 179 I C -1.708 174.283 176.117 -0.210 0.000 1.114 179 I CA -0.639 60.584 61.300 -0.128 0.000 1.038 179 I CB 2.692 40.680 38.000 -0.019 0.000 1.238 179 I HN 0.375 nan 8.210 nan 0.000 0.420 180 D N 3.244 123.577 120.400 -0.112 0.000 2.492 180 D HA 0.303 4.942 4.640 -0.001 0.000 0.248 180 D C 0.663 176.817 176.300 -0.242 0.000 1.101 180 D CA -0.284 53.622 54.000 -0.158 0.000 0.840 180 D CB 1.117 41.894 40.800 -0.039 0.000 1.209 180 D HN 0.447 nan 8.370 nan 0.000 0.524 181 H N 1.623 120.712 119.070 0.032 0.000 2.495 181 H HA -0.059 4.496 4.556 -0.001 0.000 0.287 181 H C 1.732 176.850 175.328 -0.350 0.000 1.033 181 H CA 1.203 57.137 56.048 -0.190 0.000 1.307 181 H CB 0.099 29.784 29.762 -0.130 0.000 1.401 181 H HN 0.414 nan 8.280 nan 0.000 0.555 182 S N 0.770 116.401 115.700 -0.114 0.000 2.507 182 S HA -0.037 4.433 4.470 -0.001 0.000 0.235 182 S C 1.949 176.440 174.600 -0.181 0.000 0.988 182 S CA 0.467 58.591 58.200 -0.127 0.000 0.944 182 S CB -0.506 62.660 63.200 -0.057 0.000 0.762 182 S HN 0.303 nan 8.310 nan 0.000 0.526 183 L N -0.087 120.960 121.223 -0.294 0.000 2.529 183 L HA 0.325 4.665 4.340 -0.001 0.000 0.223 183 L C 0.595 177.327 176.870 -0.231 0.000 1.113 183 L CA -0.140 54.491 54.840 -0.349 0.000 0.861 183 L CB -0.252 41.411 42.059 -0.661 0.000 1.012 183 L HN 0.577 nan 8.230 nan 0.000 0.461 184 Y N -2.095 118.014 120.300 -0.319 0.000 2.638 184 Y HA 0.695 5.244 4.550 -0.001 0.000 0.339 184 Y C -0.245 175.643 175.900 -0.020 0.000 1.084 184 Y CA -1.298 56.739 58.100 -0.104 0.000 1.068 184 Y CB 1.102 39.560 38.460 -0.003 0.000 1.294 184 Y HN -0.122 nan 8.280 nan 0.000 0.480 185 T N -0.941 113.678 114.554 0.108 0.000 2.932 185 T HA 0.759 5.109 4.350 -0.001 0.000 0.289 185 T C 0.444 175.259 174.700 0.192 0.000 1.039 185 T CA -0.170 61.947 62.100 0.029 0.000 1.024 185 T CB 1.043 69.927 68.868 0.026 0.000 1.090 185 T HN 2.159 nan 8.240 nan 0.000 0.496 186 G N 1.281 110.151 108.800 0.116 0.000 2.539 186 G HA2 -0.089 3.871 3.960 -0.001 0.000 0.256 186 G HA3 -0.089 3.871 3.960 -0.001 0.000 0.256 186 G C -0.024 175.034 174.900 0.262 0.000 1.233 186 G CA -0.049 45.149 45.100 0.164 0.000 0.936 186 G HN 1.352 nan 8.290 nan 0.000 0.571 187 S N -0.994 114.845 115.700 0.231 0.000 2.549 187 S HA 0.699 5.168 4.470 -0.001 0.000 0.297 187 S C 0.302 174.931 174.600 0.047 0.000 1.115 187 S CA -0.608 57.673 58.200 0.136 0.000 1.059 187 S CB 0.914 64.105 63.200 -0.014 0.000 1.046 187 S HN 0.714 nan 8.310 nan 0.000 0.506 188 L N 3.550 124.668 121.223 -0.174 0.000 2.367 188 L HA 0.344 4.683 4.340 -0.001 0.000 0.275 188 L C -0.933 175.557 176.870 -0.634 0.000 1.129 188 L CA -0.155 54.419 54.840 -0.443 0.000 0.839 188 L CB 0.480 42.163 42.059 -0.627 0.000 1.133 188 L HN 0.660 nan 8.230 nan 0.000 0.453 189 W N 2.646 123.518 121.300 -0.713 0.000 2.666 189 W HA 0.473 5.132 4.660 -0.001 0.000 0.334 189 W C -0.768 175.077 176.519 -1.122 0.000 1.051 189 W CA -0.248 56.519 57.345 -0.963 0.000 1.224 189 W CB 1.186 29.776 29.460 -1.449 0.000 1.405 189 W HN 0.183 nan 8.180 nan 0.000 0.513 190 Y N 1.292 121.358 120.300 -0.389 0.000 2.364 190 Y HA 0.489 5.039 4.550 -0.001 0.000 0.340 190 Y C 0.455 176.474 175.900 0.198 0.000 0.975 190 Y CA -0.901 57.143 58.100 -0.092 0.000 1.089 190 Y CB 2.188 40.589 38.460 -0.099 0.000 1.192 190 Y HN 0.140 nan 8.280 nan 0.000 0.454 191 T N 5.147 120.000 114.554 0.499 0.000 2.823 191 T HA 0.492 4.842 4.350 -0.001 0.000 0.279 191 T C -2.802 172.069 174.700 0.285 0.000 0.998 191 T CA -2.573 59.802 62.100 0.458 0.000 0.994 191 T CB 0.913 70.038 68.868 0.428 0.000 0.960 191 T HN 0.244 nan 8.240 nan 0.000 0.448 192 P HA 0.233 nan 4.420 nan 0.000 0.269 192 P C -0.480 176.926 177.300 0.177 0.000 1.209 192 P CA -0.151 63.049 63.100 0.167 0.000 0.776 192 P CB 0.277 32.057 31.700 0.135 0.000 0.876 193 I N 3.523 124.198 120.570 0.174 0.000 2.421 193 I HA 0.093 4.262 4.170 -0.001 0.000 0.291 193 I C 2.009 178.225 176.117 0.164 0.000 1.089 193 I CA 0.111 61.538 61.300 0.212 0.000 1.354 193 I CB 0.309 38.461 38.000 0.254 0.000 1.413 193 I HN 0.424 nan 8.210 nan 0.000 0.513 194 R N 5.789 126.400 120.500 0.185 0.000 2.081 194 R HA -0.039 4.301 4.340 -0.001 0.000 0.235 194 R C 0.785 177.157 176.300 0.119 0.000 1.131 194 R CA 1.320 57.512 56.100 0.153 0.000 0.960 194 R CB 0.262 30.672 30.300 0.183 0.000 0.856 194 R HN 0.625 nan 8.270 nan 0.000 0.436 195 R N -0.188 120.414 120.500 0.171 0.000 2.643 195 R HA 0.105 4.444 4.340 -0.001 0.000 0.269 195 R C -1.615 174.756 176.300 0.119 0.000 1.037 195 R CA -0.506 55.637 56.100 0.071 0.000 0.894 195 R CB 1.518 31.782 30.300 -0.061 0.000 1.238 195 R HN 0.008 nan 8.270 nan 0.000 0.459 196 E N 4.553 124.648 120.200 -0.176 0.000 1.802 196 E HA 0.081 4.431 4.350 -0.001 0.000 0.265 196 E C -0.278 176.215 176.600 -0.178 0.000 1.168 196 E CA -0.028 55.962 56.400 -0.683 0.000 1.033 196 E CB 0.207 29.214 29.700 -1.155 0.000 1.095 196 E HN 0.483 nan 8.360 nan 0.000 0.436 197 W N 1.651 122.871 121.300 -0.134 0.000 4.502 197 W HA 0.184 4.843 4.660 -0.001 0.000 0.167 197 W C -0.190 176.298 176.519 -0.053 0.000 3.423 197 W CA -0.298 57.026 57.345 -0.035 0.000 1.274 197 W CB -0.703 28.739 29.460 -0.030 0.000 2.073 197 W HN 0.043 nan 8.180 nan 0.000 0.398 198 Y N 0.787 120.818 120.300 -0.447 0.000 2.220 198 Y HA 0.176 4.725 4.550 -0.001 0.000 0.347 198 Y C 0.028 175.841 175.900 -0.144 0.000 1.311 198 Y CA 0.087 57.956 58.100 -0.386 0.000 1.593 198 Y CB -0.141 37.951 38.460 -0.612 0.000 1.419 198 Y HN -0.145 nan 8.280 nan 0.000 0.614 199 Y N 0.780 121.269 120.300 0.315 0.000 2.636 199 Y HA 0.136 4.686 4.550 -0.001 0.000 0.334 199 Y C 0.368 176.416 175.900 0.246 0.000 1.286 199 Y CA -0.567 57.737 58.100 0.339 0.000 1.688 199 Y CB -0.441 38.250 38.460 0.386 0.000 1.662 199 Y HN 0.419 nan 8.280 nan 0.000 0.465 200 E N 2.185 122.592 120.200 0.345 0.000 2.313 200 E HA 0.487 4.837 4.350 -0.001 0.000 0.276 200 E C -0.663 176.097 176.600 0.267 0.000 1.031 200 E CA -0.471 56.102 56.400 0.288 0.000 0.857 200 E CB 0.889 30.844 29.700 0.425 0.000 1.040 200 E HN 0.387 nan 8.360 nan 0.000 0.408 201 V N 1.395 121.433 119.914 0.207 0.000 3.156 201 V HA 0.627 4.746 4.120 -0.001 0.000 0.311 201 V C -0.545 175.632 176.094 0.138 0.000 1.208 201 V CA -0.996 61.407 62.300 0.173 0.000 1.063 201 V CB 1.688 33.606 31.823 0.159 0.000 1.098 201 V HN 0.609 nan 8.190 nan 0.000 0.452 202 I N 1.641 122.274 120.570 0.105 0.000 2.411 202 I HA 0.462 4.631 4.170 -0.001 0.000 0.284 202 I C -0.697 175.440 176.117 0.033 0.000 1.012 202 I CA -0.394 60.959 61.300 0.090 0.000 1.119 202 I CB 1.728 39.788 38.000 0.100 0.000 1.261 202 I HN 0.506 nan 8.210 nan 0.000 0.448 203 I N 6.767 127.356 120.570 0.032 0.000 2.416 203 I HA 0.059 4.229 4.170 -0.001 0.000 0.288 203 I C 1.238 177.388 176.117 0.056 0.000 1.051 203 I CA -0.093 61.188 61.300 -0.032 0.000 1.375 203 I CB 1.366 39.318 38.000 -0.080 0.000 1.407 203 I HN 0.503 nan 8.210 nan 0.000 0.516 204 V N 3.031 122.946 119.914 0.002 0.000 3.645 204 V HA 0.393 4.512 4.120 -0.001 0.000 0.275 204 V C 0.512 176.631 176.094 0.042 0.000 1.356 204 V CA 0.059 62.392 62.300 0.055 0.000 1.051 204 V CB -0.075 31.754 31.823 0.011 0.000 0.828 204 V HN 0.888 nan 8.190 nan 0.000 0.441 205 R N -0.464 119.983 120.500 -0.087 0.000 2.664 205 R HA 0.653 4.993 4.340 -0.001 0.000 0.260 205 R C -2.550 173.547 176.300 -0.338 0.000 1.062 205 R CA -0.362 55.625 56.100 -0.188 0.000 0.902 205 R CB 2.511 32.536 30.300 -0.459 0.000 1.258 205 R HN 0.037 nan 8.270 nan 0.000 0.465 206 V N 2.627 122.289 119.914 -0.420 0.000 2.638 206 V HA 0.459 4.579 4.120 -0.001 0.000 0.306 206 V C -0.794 175.210 176.094 -0.150 0.000 1.052 206 V CA -0.727 61.353 62.300 -0.366 0.000 0.885 206 V CB 1.997 33.439 31.823 -0.635 0.000 0.999 206 V HN 0.773 nan 8.190 nan 0.000 0.424 207 E N 3.909 124.065 120.200 -0.072 0.000 2.238 207 E HA 0.627 4.977 4.350 -0.001 0.000 0.267 207 E C -1.268 175.303 176.600 -0.047 0.000 0.887 207 E CA -0.699 55.680 56.400 -0.035 0.000 0.769 207 E CB 2.951 32.663 29.700 0.020 0.000 1.187 207 E HN 0.534 nan 8.360 nan 0.000 0.416 208 I N 3.634 124.185 120.570 -0.031 0.000 2.390 208 I HA 0.144 4.314 4.170 -0.001 0.000 0.283 208 I C 0.491 176.614 176.117 0.010 0.000 1.016 208 I CA -0.040 61.246 61.300 -0.023 0.000 1.151 208 I CB 0.834 38.816 38.000 -0.030 0.000 1.293 208 I HN 0.648 nan 8.210 nan 0.000 0.458 209 N N 4.866 123.586 118.700 0.032 0.000 1.910 209 N HA -0.179 4.561 4.740 -0.001 0.000 0.214 209 N C 0.607 176.140 175.510 0.040 0.000 1.113 209 N CA 2.138 55.221 53.050 0.057 0.000 3.595 209 N CB -0.902 37.623 38.487 0.064 0.000 0.733 209 N HN 0.875 nan 8.380 nan 0.000 0.352 210 G N -0.388 108.426 108.800 0.024 0.000 4.990 210 G HA2 0.257 4.216 3.960 -0.001 0.000 0.221 210 G HA3 0.257 4.216 3.960 -0.001 0.000 0.221 210 G C -1.110 173.795 174.900 0.007 0.000 0.986 210 G CA -0.063 45.049 45.100 0.019 0.000 1.002 210 G HN 0.297 nan 8.290 nan 0.000 0.531 211 Q N 1.662 121.460 119.800 -0.003 0.000 2.271 211 Q HA 0.287 4.626 4.340 -0.001 0.000 0.268 211 Q C -1.530 174.456 176.000 -0.022 0.000 1.021 211 Q CA -1.032 54.763 55.803 -0.013 0.000 0.802 211 Q CB 2.499 31.233 28.738 -0.008 0.000 1.282 211 Q HN 0.483 nan 8.270 nan 0.000 0.431 212 D N 2.633 123.013 120.400 -0.035 0.000 2.350 212 D HA 0.030 4.670 4.640 -0.001 0.000 0.249 212 D C 0.792 177.093 176.300 0.001 0.000 1.119 212 D CA -0.462 53.519 54.000 -0.032 0.000 0.886 212 D CB 1.469 42.229 40.800 -0.066 0.000 1.195 212 D HN 0.295 nan 8.370 nan 0.000 0.437 213 L N 1.480 122.726 121.223 0.037 0.000 2.351 213 L HA -0.167 4.172 4.340 -0.001 0.000 0.220 213 L C 1.950 178.852 176.870 0.053 0.000 1.127 213 L CA 0.961 55.839 54.840 0.064 0.000 0.786 213 L CB -1.441 40.709 42.059 0.153 0.000 0.914 213 L HN 0.744 nan 8.230 nan 0.000 0.443 214 K N -0.063 120.368 120.400 0.052 0.000 3.130 214 K HA -0.231 4.088 4.320 -0.001 0.000 0.282 214 K C 0.233 176.824 176.600 -0.015 0.000 1.145 214 K CA 1.027 57.319 56.287 0.008 0.000 0.831 214 K CB -1.033 31.459 32.500 -0.012 0.000 1.226 214 K HN 0.558 nan 8.250 nan 0.000 0.478 215 M N -0.878 118.710 119.600 -0.020 0.000 2.528 215 M HA 0.335 4.814 4.480 -0.001 0.000 0.318 215 M C 0.076 176.234 176.300 -0.237 0.000 1.195 215 M CA -0.635 54.589 55.300 -0.125 0.000 1.000 215 M CB 0.973 33.487 32.600 -0.144 0.000 1.615 215 M HN -0.084 nan 8.290 nan 0.000 0.469 216 D N 1.614 121.878 120.400 -0.226 0.000 2.520 216 D HA -0.023 4.617 4.640 -0.001 0.000 0.243 216 D C 1.186 177.242 176.300 -0.406 0.000 1.160 216 D CA -0.155 53.709 54.000 -0.227 0.000 0.877 216 D CB 0.965 41.665 40.800 -0.168 0.000 1.150 216 D HN 0.821 nan 8.370 nan 0.000 0.494 217 c N 3.632 122.059 118.600 -0.289 0.000 2.419 217 c HA 0.011 4.581 4.570 -0.001 0.000 0.283 217 c C 2.248 176.249 174.090 -0.149 0.000 1.373 217 c CA 0.039 56.215 56.329 -0.254 0.000 1.781 217 c CB -0.777 41.783 42.510 0.083 0.000 1.886 217 c HN 0.692 nan 8.230 nan 0.000 0.520 218 K N 0.795 121.129 120.400 -0.110 0.000 2.211 218 K HA -0.132 4.188 4.320 -0.001 0.000 0.204 218 K C 2.174 178.771 176.600 -0.006 0.000 1.047 218 K CA 1.565 57.838 56.287 -0.023 0.000 0.935 218 K CB -0.070 32.405 32.500 -0.042 0.000 0.728 218 K HN 0.532 nan 8.250 nan 0.000 0.452 219 E N -0.339 119.772 120.200 -0.148 0.000 2.106 219 E HA -0.173 4.177 4.350 -0.001 0.000 0.192 219 E C 1.712 178.326 176.600 0.023 0.000 0.984 219 E CA 1.209 57.556 56.400 -0.089 0.000 0.806 219 E CB -0.237 29.333 29.700 -0.218 0.000 0.750 219 E HN 0.545 nan 8.360 nan 0.000 0.458 220 Y N 0.885 121.231 120.300 0.078 0.000 2.483 220 Y HA -0.066 4.484 4.550 -0.001 0.000 0.291 220 Y C 1.068 177.012 175.900 0.074 0.000 1.143 220 Y CA 0.388 58.523 58.100 0.058 0.000 1.289 220 Y CB 0.170 38.642 38.460 0.020 0.000 0.983 220 Y HN 0.011 nan 8.280 nan 0.000 0.556 221 N N -1.242 117.600 118.700 0.236 0.000 2.451 221 N HA -0.005 4.735 4.740 -0.001 0.000 0.271 221 N C -1.341 174.315 175.510 0.243 0.000 1.410 221 N CA -0.129 53.044 53.050 0.205 0.000 0.884 221 N CB 0.277 38.884 38.487 0.200 0.000 1.332 221 N HN 0.137 nan 8.380 nan 0.000 0.498 222 Y N 3.095 123.430 120.300 0.058 0.000 2.353 222 Y HA 0.186 4.736 4.550 -0.000 0.000 0.340 222 Y C 0.986 176.831 175.900 -0.091 0.000 0.972 222 Y CA -1.514 56.574 58.100 -0.019 0.000 1.157 222 Y CB 0.677 39.144 38.460 0.013 0.000 1.157 222 Y HN 0.046 nan 8.280 nan 0.000 0.495 223 D N 3.575 123.709 120.400 -0.445 0.000 2.349 223 D HA 0.041 4.681 4.640 -0.001 0.000 0.224 223 D C -0.203 176.102 176.300 0.008 0.000 1.029 223 D CA 0.377 54.189 54.000 -0.314 0.000 0.879 223 D CB 0.570 41.072 40.800 -0.497 0.000 0.906 223 D HN 0.377 nan 8.370 nan 0.000 0.528 224 K N -0.588 119.823 120.400 0.018 0.000 2.551 224 K HA 0.435 4.754 4.320 -0.001 0.000 0.269 224 K C -1.543 175.081 176.600 0.040 0.000 0.949 224 K CA -0.639 55.687 56.287 0.065 0.000 0.849 224 K CB 2.508 34.963 32.500 -0.076 0.000 1.411 224 K HN -0.182 nan 8.250 nan 0.000 0.432 225 S N 2.004 117.745 115.700 0.070 0.000 2.536 225 S HA 0.683 5.153 4.470 -0.001 0.000 0.287 225 S C -0.927 173.695 174.600 0.037 0.000 1.101 225 S CA -0.846 57.376 58.200 0.038 0.000 0.950 225 S CB 1.155 64.395 63.200 0.067 0.000 1.056 225 S HN 0.579 nan 8.310 nan 0.000 0.481 226 I N -1.342 119.233 120.570 0.009 0.000 3.006 226 I HA 0.794 4.963 4.170 -0.001 0.000 0.306 226 I C -1.595 174.586 176.117 0.107 0.000 1.250 226 I CA -1.258 60.073 61.300 0.052 0.000 0.996 226 I CB 1.872 39.821 38.000 -0.084 0.000 1.261 226 I HN 0.316 nan 8.210 nan 0.000 0.442 227 V N 2.589 122.630 119.914 0.211 0.000 2.370 227 V HA 0.504 4.624 4.120 -0.001 0.000 0.283 227 V C -1.018 175.231 176.094 0.258 0.000 1.023 227 V CA 0.049 62.488 62.300 0.232 0.000 0.857 227 V CB 1.148 33.117 31.823 0.244 0.000 0.985 227 V HN 0.767 nan 8.190 nan 0.000 0.443 228 D N 2.639 123.144 120.400 0.174 0.000 2.375 228 D HA 0.192 4.832 4.640 -0.001 0.000 0.241 228 D C 0.975 177.325 176.300 0.084 0.000 1.361 228 D CA -0.044 54.031 54.000 0.125 0.000 0.995 228 D CB 1.860 42.705 40.800 0.076 0.000 1.312 228 D HN 0.483 nan 8.370 nan 0.000 0.576 229 S N 1.279 117.014 115.700 0.058 0.000 2.507 229 S HA 0.027 4.496 4.470 -0.001 0.000 0.235 229 S C 1.574 176.190 174.600 0.026 0.000 0.988 229 S CA 0.666 58.884 58.200 0.029 0.000 0.944 229 S CB 0.140 63.320 63.200 -0.034 0.000 0.762 229 S HN 0.392 nan 8.310 nan 0.000 0.526 230 G N 0.133 108.933 108.800 0.001 0.000 3.393 230 G HA2 0.366 4.326 3.960 -0.001 0.000 0.255 230 G HA3 0.366 4.326 3.960 -0.001 0.000 0.255 230 G C -0.122 174.764 174.900 -0.023 0.000 1.097 230 G CA -0.285 44.794 45.100 -0.035 0.000 0.780 230 G HN 0.433 nan 8.290 nan 0.000 0.540 231 T N 0.126 114.684 114.554 0.005 0.000 2.797 231 T HA 0.353 4.702 4.350 -0.001 0.000 0.279 231 T C 1.344 176.061 174.700 0.028 0.000 0.991 231 T CA -0.304 61.797 62.100 0.002 0.000 0.979 231 T CB 1.993 70.857 68.868 -0.008 0.000 0.943 231 T HN -0.034 nan 8.240 nan 0.000 0.444 232 T N 3.084 117.652 114.554 0.023 0.000 2.737 232 T HA -0.009 4.341 4.350 -0.001 0.000 0.265 232 T C 0.899 175.617 174.700 0.030 0.000 1.038 232 T CA 1.154 63.279 62.100 0.041 0.000 1.144 232 T CB -0.128 68.757 68.868 0.028 0.000 0.866 232 T HN 0.510 nan 8.240 nan 0.000 0.434 233 N N 0.401 119.099 118.700 -0.002 0.000 2.476 233 N HA 0.420 5.160 4.740 -0.001 0.000 0.276 233 N C -1.004 174.493 175.510 -0.021 0.000 1.204 233 N CA -0.667 52.367 53.050 -0.027 0.000 0.974 233 N CB 1.102 39.545 38.487 -0.073 0.000 1.204 233 N HN 0.127 nan 8.380 nan 0.000 0.543 234 L N 1.879 123.081 121.223 -0.034 0.000 2.369 234 L HA 0.213 4.552 4.340 -0.001 0.000 0.279 234 L C -0.347 176.489 176.870 -0.057 0.000 1.108 234 L CA 0.010 54.831 54.840 -0.032 0.000 0.852 234 L CB -0.048 41.992 42.059 -0.031 0.000 1.169 234 L HN 0.425 nan 8.230 nan 0.000 0.452 235 R N 5.809 126.280 120.500 -0.048 0.000 2.460 235 R HA 0.667 5.007 4.340 -0.001 0.000 0.303 235 R C -1.275 175.010 176.300 -0.026 0.000 0.968 235 R CA -0.736 55.324 56.100 -0.068 0.000 0.889 235 R CB 1.872 32.121 30.300 -0.083 0.000 1.123 235 R HN 0.587 nan 8.270 nan 0.000 0.455 236 L N 3.738 124.964 121.223 0.004 0.000 2.381 236 L HA 0.494 4.834 4.340 -0.001 0.000 0.268 236 L C -2.335 174.592 176.870 0.094 0.000 0.997 236 L CA -2.606 52.288 54.840 0.090 0.000 0.818 236 L CB 2.304 44.486 42.059 0.205 0.000 1.310 236 L HN 0.296 nan 8.230 nan 0.000 0.416 237 P HA -0.023 nan 4.420 nan 0.000 0.269 237 P C -0.026 177.363 177.300 0.148 0.000 1.211 237 P CA -0.120 63.028 63.100 0.079 0.000 0.781 237 P CB 0.485 32.250 31.700 0.109 0.000 0.877 238 K N 2.340 122.808 120.400 0.113 0.000 2.015 238 K HA -0.265 4.055 4.320 -0.001 0.000 0.216 238 K C 1.838 178.560 176.600 0.202 0.000 1.052 238 K CA 1.716 58.103 56.287 0.167 0.000 0.937 238 K CB -0.533 32.036 32.500 0.116 0.000 0.719 238 K HN 0.275 nan 8.250 nan 0.000 0.446 239 K N 0.994 121.490 120.400 0.160 0.000 2.097 239 K HA -0.100 4.219 4.320 -0.001 0.000 0.206 239 K C 2.012 178.679 176.600 0.112 0.000 1.049 239 K CA 1.233 57.593 56.287 0.121 0.000 0.933 239 K CB 0.122 32.685 32.500 0.104 0.000 0.717 239 K HN 0.066 nan 8.250 nan 0.000 0.442 240 V N 0.603 120.608 119.914 0.152 0.000 2.535 240 V HA -0.149 3.970 4.120 -0.001 0.000 0.246 240 V C 1.872 178.072 176.094 0.178 0.000 1.045 240 V CA 1.155 63.557 62.300 0.171 0.000 1.058 240 V CB -0.566 31.408 31.823 0.252 0.000 0.689 240 V HN 0.279 nan 8.190 nan 0.000 0.461 241 F N 1.635 121.631 119.950 0.076 0.000 2.095 241 F HA -0.191 4.335 4.527 -0.001 0.000 0.298 241 F C 2.277 178.115 175.800 0.063 0.000 1.104 241 F CA 2.089 60.134 58.000 0.074 0.000 1.232 241 F CB -0.307 38.738 39.000 0.075 0.000 0.987 241 F HN 0.198 nan 8.300 nan 0.000 0.475 242 E N 0.097 120.264 120.200 -0.055 0.000 2.033 242 E HA -0.292 4.058 4.350 -0.001 0.000 0.199 242 E C 2.375 178.856 176.600 -0.199 0.000 1.011 242 E CA 1.526 57.832 56.400 -0.158 0.000 0.815 242 E CB -0.565 29.127 29.700 -0.013 0.000 0.755 242 E HN 0.490 nan 8.360 nan 0.000 0.451 243 A N 1.123 123.888 122.820 -0.091 0.000 1.877 243 A HA -0.150 4.169 4.320 -0.001 0.000 0.216 243 A C 2.368 179.890 177.584 -0.105 0.000 1.186 243 A CA 1.905 53.898 52.037 -0.073 0.000 0.620 243 A CB -0.861 18.136 19.000 -0.006 0.000 0.822 243 A HN 0.344 nan 8.150 nan 0.000 0.443 244 A N -0.483 122.284 122.820 -0.088 0.000 1.859 244 A HA -0.113 4.206 4.320 -0.001 0.000 0.217 244 A C 2.264 179.737 177.584 -0.185 0.000 1.198 244 A CA 2.219 54.203 52.037 -0.088 0.000 0.629 244 A CB -1.195 17.799 19.000 -0.010 0.000 0.830 244 A HN 0.482 nan 8.150 nan 0.000 0.446 245 V N 0.333 120.027 119.914 -0.368 0.000 2.343 245 V HA -0.287 3.832 4.120 -0.001 0.000 0.247 245 V C 2.524 178.341 176.094 -0.461 0.000 1.051 245 V CA 2.453 64.461 62.300 -0.486 0.000 1.036 245 V CB -0.794 30.564 31.823 -0.775 0.000 0.654 245 V HN 0.752 nan 8.190 nan 0.000 0.451 246 K N 0.342 120.530 120.400 -0.355 0.000 2.077 246 K HA -0.305 4.015 4.320 -0.001 0.000 0.213 246 K C 2.415 178.886 176.600 -0.215 0.000 1.051 246 K CA 2.324 58.456 56.287 -0.260 0.000 0.929 246 K CB -0.461 31.937 32.500 -0.170 0.000 0.715 246 K HN 0.422 nan 8.250 nan 0.000 0.451 247 S N -0.371 115.228 115.700 -0.167 0.000 2.387 247 S HA -0.040 4.430 4.470 -0.001 0.000 0.226 247 S C 1.833 176.373 174.600 -0.100 0.000 1.026 247 S CA 1.073 59.207 58.200 -0.110 0.000 0.972 247 S CB -0.246 62.912 63.200 -0.070 0.000 0.814 247 S HN 0.384 nan 8.310 nan 0.000 0.477 248 I N 1.240 121.733 120.570 -0.128 0.000 2.406 248 I HA 0.018 4.187 4.170 -0.001 0.000 0.249 248 I C 2.482 178.533 176.117 -0.111 0.000 1.122 248 I CA 0.887 62.165 61.300 -0.037 0.000 1.431 248 I CB -0.359 37.674 38.000 0.054 0.000 1.087 248 I HN 0.221 nan 8.210 nan 0.000 0.424 249 K N 1.744 121.886 120.400 -0.429 0.000 2.020 249 K HA -0.248 4.071 4.320 -0.001 0.000 0.212 249 K C 2.227 178.725 176.600 -0.170 0.000 1.050 249 K CA 1.994 57.965 56.287 -0.526 0.000 0.929 249 K CB -0.224 31.815 32.500 -0.768 0.000 0.714 249 K HN 0.325 nan 8.250 nan 0.000 0.443 250 A N 0.654 123.382 122.820 -0.153 0.000 1.969 250 A HA -0.029 4.291 4.320 -0.001 0.000 0.218 250 A C 2.248 179.806 177.584 -0.044 0.000 1.169 250 A CA 1.652 53.639 52.037 -0.083 0.000 0.635 250 A CB -0.619 18.332 19.000 -0.081 0.000 0.810 250 A HN 0.517 nan 8.150 nan 0.000 0.445 251 A N -0.611 122.192 122.820 -0.028 0.000 1.933 251 A HA 0.005 4.325 4.320 -0.001 0.000 0.218 251 A C 1.711 179.297 177.584 0.003 0.000 1.175 251 A CA 1.651 53.693 52.037 0.009 0.000 0.628 251 A CB -0.421 18.610 19.000 0.051 0.000 0.814 251 A HN 0.386 nan 8.150 nan 0.000 0.444 252 S N 0.336 116.046 115.700 0.016 0.000 2.560 252 S HA 0.293 4.763 4.470 -0.001 0.000 0.227 252 S C 0.550 175.130 174.600 -0.033 0.000 1.280 252 S CA -0.199 57.982 58.200 -0.032 0.000 1.260 252 S CB 0.481 63.687 63.200 0.009 0.000 1.002 252 S HN 0.402 nan 8.310 nan 0.000 0.509 253 S N 0.903 116.570 115.700 -0.056 0.000 2.556 253 S HA 0.010 4.479 4.470 -0.001 0.000 0.216 253 S C 1.884 176.426 174.600 -0.096 0.000 0.970 253 S CA -0.027 58.129 58.200 -0.074 0.000 0.912 253 S CB 0.048 63.217 63.200 -0.050 0.000 0.790 253 S HN 0.571 nan 8.310 nan 0.000 0.504 254 T N 2.894 117.389 114.554 -0.099 0.000 2.516 254 T HA -0.132 4.218 4.350 -0.001 0.000 0.261 254 T C 0.885 175.510 174.700 -0.124 0.000 1.130 254 T CA 1.391 63.436 62.100 -0.092 0.000 1.193 254 T CB -0.136 68.682 68.868 -0.083 0.000 0.864 254 T HN 0.526 nan 8.240 nan 0.000 0.410 255 E N 0.335 120.420 120.200 -0.192 0.000 2.302 255 E HA 0.566 4.916 4.350 -0.001 0.000 0.255 255 E C -0.420 175.856 176.600 -0.540 0.000 1.099 255 E CA -0.668 55.567 56.400 -0.275 0.000 0.929 255 E CB 1.047 30.652 29.700 -0.158 0.000 1.203 255 E HN 0.083 nan 8.360 nan 0.000 0.459 256 K N 0.649 120.685 120.400 -0.607 0.000 2.371 256 K HA 0.497 4.817 4.320 -0.001 0.000 0.251 256 K C -1.695 174.517 176.600 -0.647 0.000 0.934 256 K CA -0.379 55.578 56.287 -0.549 0.000 0.798 256 K CB 0.993 33.372 32.500 -0.202 0.000 1.204 256 K HN 0.320 nan 8.250 nan 0.000 0.427 257 F N 2.157 122.163 119.950 0.092 0.000 2.588 257 F HA 0.434 4.960 4.527 -0.001 0.000 0.310 257 F C -1.955 173.849 175.800 0.005 0.000 1.082 257 F CA -2.339 55.613 58.000 -0.079 0.000 0.929 257 F CB 1.420 40.255 39.000 -0.275 0.000 1.254 257 F HN 0.366 nan 8.300 nan 0.000 0.455 258 P HA 0.100 nan 4.420 nan 0.000 0.270 258 P C -0.066 177.347 177.300 0.188 0.000 1.223 258 P CA -0.009 63.162 63.100 0.119 0.000 0.785 258 P CB 0.782 32.516 31.700 0.056 0.000 0.923 259 D N 1.069 121.611 120.400 0.236 0.000 2.149 259 D HA -0.123 4.516 4.640 -0.001 0.000 0.198 259 D C 2.156 178.614 176.300 0.263 0.000 0.990 259 D CA 1.944 56.133 54.000 0.316 0.000 0.839 259 D CB -0.681 40.248 40.800 0.215 0.000 0.948 259 D HN 0.568 nan 8.370 nan 0.000 0.460 260 G N -0.245 108.658 108.800 0.171 0.000 2.422 260 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.218 260 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.218 260 G C 1.463 176.444 174.900 0.135 0.000 1.146 260 G CA 0.461 45.646 45.100 0.143 0.000 0.769 260 G HN 0.267 nan 8.290 nan 0.000 0.547 261 F N 0.839 120.729 119.950 -0.100 0.000 2.091 261 F HA -0.126 4.401 4.527 -0.001 0.000 0.299 261 F C 2.289 178.007 175.800 -0.137 0.000 1.103 261 F CA 1.413 59.273 58.000 -0.234 0.000 1.228 261 F CB -0.551 38.135 39.000 -0.524 0.000 0.984 261 F HN 0.276 nan 8.300 nan 0.000 0.477 262 W N -0.084 121.136 121.300 -0.133 0.000 2.392 262 W HA -0.091 4.569 4.660 -0.000 0.000 0.279 262 W C 1.548 178.170 176.519 0.173 0.000 1.225 262 W CA 0.027 57.225 57.345 -0.244 0.000 1.233 262 W CB -0.336 29.051 29.460 -0.122 0.000 1.122 262 W HN -0.061 nan 8.180 nan 0.000 0.561 263 L N 0.550 121.973 121.223 0.333 0.000 2.629 263 L HA 0.312 4.651 4.340 -0.001 0.000 0.230 263 L C 1.544 178.500 176.870 0.143 0.000 1.151 263 L CA 0.980 55.988 54.840 0.281 0.000 0.924 263 L CB -1.376 40.824 42.059 0.235 0.000 1.137 263 L HN 0.309 nan 8.230 nan 0.000 0.457 264 G N 0.783 109.647 108.800 0.107 0.000 2.198 264 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.260 264 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.260 264 G C 0.856 175.796 174.900 0.066 0.000 1.025 264 G CA 0.619 45.758 45.100 0.064 0.000 0.769 264 G HN 0.506 nan 8.290 nan 0.000 0.507 265 E N -0.806 119.443 120.200 0.082 0.000 2.389 265 E HA 0.097 4.447 4.350 -0.001 0.000 0.199 265 E C 1.198 177.844 176.600 0.077 0.000 0.978 265 E CA 0.973 57.419 56.400 0.077 0.000 0.912 265 E CB 0.241 29.992 29.700 0.084 0.000 0.907 265 E HN 0.893 nan 8.360 nan 0.000 0.494 266 Q N 0.564 120.427 119.800 0.105 0.000 2.418 266 Q HA 0.451 4.791 4.340 -0.001 0.000 0.282 266 Q C -0.964 175.136 176.000 0.167 0.000 1.044 266 Q CA -1.092 54.769 55.803 0.096 0.000 0.813 266 Q CB 1.289 30.065 28.738 0.063 0.000 1.428 266 Q HN -0.087 nan 8.270 nan 0.000 0.402 267 L N -0.229 121.054 121.223 0.100 0.000 2.468 267 L HA 0.782 5.121 4.340 -0.001 0.000 0.254 267 L C -0.173 176.646 176.870 -0.085 0.000 1.171 267 L CA -0.867 54.040 54.840 0.113 0.000 0.809 267 L CB 0.422 42.512 42.059 0.051 0.000 1.155 267 L HN 0.513 nan 8.230 nan 0.000 0.473 268 V N -0.242 119.502 119.914 -0.283 0.000 2.680 268 V HA 0.667 4.787 4.120 -0.001 0.000 0.309 268 V C -0.891 174.822 176.094 -0.635 0.000 1.052 268 V CA -0.301 61.532 62.300 -0.778 0.000 0.908 268 V CB 1.658 32.461 31.823 -1.700 0.000 1.001 268 V HN 1.024 nan 8.190 nan 0.000 0.431 269 c N 5.932 124.054 118.600 -0.796 0.000 2.563 269 c HA 0.756 5.326 4.570 -0.001 0.000 0.314 269 c C -0.730 172.931 174.090 -0.715 0.000 1.199 269 c CA -1.006 55.022 56.329 -0.501 0.000 1.564 269 c CB 1.243 43.595 42.510 -0.264 0.000 2.173 269 c HN 0.927 nan 8.230 nan 0.000 0.485 270 W N 0.283 121.593 121.300 0.017 0.000 3.040 270 W HA 0.434 5.094 4.660 -0.001 0.000 0.344 270 W C -0.567 175.952 176.519 -0.000 0.000 1.201 270 W CA -0.569 56.782 57.345 0.009 0.000 1.119 270 W CB 0.931 30.396 29.460 0.009 0.000 1.478 270 W HN 0.606 nan 8.180 nan 0.000 0.586 271 Q N 0.675 120.618 119.800 0.238 0.000 2.317 271 Q HA 0.471 4.810 4.340 -0.001 0.000 0.229 271 Q C 0.185 176.240 176.000 0.091 0.000 0.984 271 Q CA -0.491 55.381 55.803 0.115 0.000 0.911 271 Q CB 0.796 29.576 28.738 0.071 0.000 1.217 271 Q HN 0.400 nan 8.270 nan 0.000 0.501 272 A N 0.883 123.730 122.820 0.045 0.000 2.572 272 A HA 0.272 4.592 4.320 -0.001 0.000 0.256 272 A C 1.255 178.833 177.584 -0.010 0.000 1.041 272 A CA 0.940 52.987 52.037 0.018 0.000 0.790 272 A CB -1.333 17.671 19.000 0.006 0.000 0.947 272 A HN 0.993 nan 8.150 nan 0.000 0.518 273 G N 1.909 110.681 108.800 -0.048 0.000 2.284 273 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.247 273 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.247 273 G C 1.143 175.930 174.900 -0.189 0.000 1.012 273 G CA 1.161 46.190 45.100 -0.118 0.000 0.618 273 G HN 1.995 nan 8.290 nan 0.000 0.521 274 T N -0.902 113.582 114.554 -0.118 0.000 3.113 274 T HA 0.292 4.641 4.350 -0.001 0.000 0.256 274 T C 1.106 175.607 174.700 -0.331 0.000 1.131 274 T CA 1.297 63.323 62.100 -0.123 0.000 1.074 274 T CB -0.038 68.857 68.868 0.044 0.000 0.944 274 T HN 0.464 nan 8.240 nan 0.000 0.516 275 T N 5.568 119.832 114.554 -0.484 0.000 2.784 275 T HA 0.308 4.658 4.350 -0.001 0.000 0.291 275 T C -2.538 171.587 174.700 -0.959 0.000 0.942 275 T CA -0.748 60.746 62.100 -1.009 0.000 1.161 275 T CB 0.623 68.951 68.868 -0.901 0.000 0.885 275 T HN 0.296 nan 8.240 nan 0.000 0.534 276 P HA 0.290 nan 4.420 nan 0.000 0.298 276 P C -0.046 177.072 177.300 -0.303 0.000 1.365 276 P CA -0.893 61.882 63.100 -0.542 0.000 0.835 276 P CB 0.596 32.111 31.700 -0.309 0.000 0.948 277 W N 2.498 123.726 121.300 -0.120 0.000 2.342 277 W HA -0.127 4.533 4.660 -0.001 0.000 0.297 277 W C 1.487 178.105 176.519 0.166 0.000 1.213 277 W CA 0.728 58.072 57.345 -0.001 0.000 1.251 277 W CB -1.559 27.849 29.460 -0.087 0.000 1.136 277 W HN 0.338 nan 8.180 nan 0.000 0.526 278 N N 0.667 119.509 118.700 0.237 0.000 2.512 278 N HA -0.101 4.639 4.740 -0.001 0.000 0.183 278 N C 1.377 176.951 175.510 0.107 0.000 1.073 278 N CA 0.617 53.784 53.050 0.195 0.000 0.911 278 N CB -0.146 38.427 38.487 0.144 0.000 0.964 278 N HN 0.064 nan 8.380 nan 0.000 0.447 279 I N 0.529 121.093 120.570 -0.010 0.000 2.493 279 I HA -0.084 4.085 4.170 -0.001 0.000 0.254 279 I C 0.446 176.446 176.117 -0.194 0.000 1.160 279 I CA 0.656 61.847 61.300 -0.181 0.000 1.445 279 I CB -1.248 36.514 38.000 -0.397 0.000 1.086 279 I HN -0.057 nan 8.210 nan 0.000 0.433 280 F N 3.640 123.717 119.950 0.211 0.000 2.404 280 F HA 0.388 4.915 4.527 -0.001 0.000 0.345 280 F C -1.856 174.128 175.800 0.306 0.000 1.110 280 F CA -2.491 55.696 58.000 0.311 0.000 1.130 280 F CB 0.331 39.525 39.000 0.322 0.000 1.129 280 F HN -0.140 nan 8.300 nan 0.000 0.500 281 P HA 0.149 nan 4.420 nan 0.000 0.278 281 P C -0.496 177.018 177.300 0.357 0.000 1.238 281 P CA -0.300 62.987 63.100 0.312 0.000 0.794 281 P CB 1.480 33.297 31.700 0.196 0.000 0.955 282 V N 1.827 121.889 119.914 0.248 0.000 2.999 282 V HA 0.236 4.355 4.120 -0.001 0.000 0.307 282 V C 0.177 176.333 176.094 0.103 0.000 1.084 282 V CA 0.054 62.478 62.300 0.206 0.000 1.155 282 V CB -0.315 31.588 31.823 0.134 0.000 0.975 282 V HN 0.312 nan 8.190 nan 0.000 0.490 283 I N 2.654 123.257 120.570 0.055 0.000 2.509 283 I HA 0.461 4.630 4.170 -0.001 0.000 0.293 283 I C -0.078 175.998 176.117 -0.068 0.000 1.020 283 I CA -0.265 61.005 61.300 -0.050 0.000 1.088 283 I CB 2.036 39.952 38.000 -0.141 0.000 1.267 283 I HN 0.719 nan 8.210 nan 0.000 0.430 284 S N 6.564 122.193 115.700 -0.119 0.000 2.519 284 S HA 0.640 5.109 4.470 -0.001 0.000 0.309 284 S C -0.543 173.903 174.600 -0.256 0.000 1.100 284 S CA -0.561 57.508 58.200 -0.218 0.000 1.059 284 S CB 1.265 64.311 63.200 -0.256 0.000 1.008 284 S HN 0.326 nan 8.310 nan 0.000 0.478 285 L N 3.738 124.747 121.223 -0.356 0.000 2.296 285 L HA 0.543 4.883 4.340 -0.001 0.000 0.286 285 L C -1.231 175.332 176.870 -0.511 0.000 1.023 285 L CA -0.817 53.804 54.840 -0.364 0.000 0.812 285 L CB 0.738 42.581 42.059 -0.360 0.000 1.223 285 L HN 0.567 nan 8.230 nan 0.000 0.421 286 Y N 3.628 123.636 120.300 -0.485 0.000 2.320 286 Y HA 0.536 5.086 4.550 -0.000 0.000 0.334 286 Y C -0.018 175.572 175.900 -0.515 0.000 1.055 286 Y CA -0.355 57.427 58.100 -0.529 0.000 1.143 286 Y CB 1.300 39.503 38.460 -0.428 0.000 1.193 286 Y HN 0.357 nan 8.280 nan 0.000 0.477 287 L N 4.301 125.159 121.223 -0.609 0.000 2.334 287 L HA 0.455 4.795 4.340 -0.001 0.000 0.276 287 L C 0.087 176.793 176.870 -0.273 0.000 1.014 287 L CA -1.044 53.489 54.840 -0.512 0.000 0.815 287 L CB 1.654 43.231 42.059 -0.803 0.000 1.268 287 L HN 0.636 nan 8.230 nan 0.000 0.428 288 M N 1.910 121.479 119.600 -0.052 0.000 2.243 288 M HA 0.033 4.513 4.480 -0.001 0.000 0.365 288 M C 0.585 177.014 176.300 0.215 0.000 1.327 288 M CA 0.635 55.983 55.300 0.079 0.000 0.918 288 M CB 0.380 33.038 32.600 0.097 0.000 1.894 288 M HN 0.764 nan 8.290 nan 0.000 0.473 289 G N 3.591 112.556 108.800 0.276 0.000 2.532 289 G HA2 0.234 4.194 3.960 -0.001 0.000 0.291 289 G HA3 0.234 4.194 3.960 -0.001 0.000 0.291 289 G C -0.006 175.065 174.900 0.285 0.000 1.349 289 G CA -0.424 44.922 45.100 0.409 0.000 1.038 289 G HN 0.881 nan 8.290 nan 0.000 0.518 290 E N -1.724 118.634 120.200 0.264 0.000 2.371 290 E HA 0.091 4.440 4.350 -0.001 0.000 0.194 290 E C 0.127 176.801 176.600 0.124 0.000 1.012 290 E CA 0.165 56.663 56.400 0.164 0.000 0.860 290 E CB 0.524 30.294 29.700 0.117 0.000 0.811 290 E HN 0.036 nan 8.360 nan 0.000 0.502 291 V N 1.298 121.299 119.914 0.144 0.000 2.628 291 V HA 0.110 4.230 4.120 -0.001 0.000 0.306 291 V C 0.179 176.336 176.094 0.106 0.000 1.045 291 V CA -0.801 61.564 62.300 0.109 0.000 0.905 291 V CB 2.010 33.897 31.823 0.106 0.000 0.997 291 V HN 0.007 nan 8.190 nan 0.000 0.436 292 T N 4.937 119.538 114.554 0.078 0.000 2.891 292 T HA -0.013 4.336 4.350 -0.001 0.000 0.296 292 T C 0.966 175.710 174.700 0.074 0.000 1.025 292 T CA 0.855 62.995 62.100 0.068 0.000 1.149 292 T CB -0.355 68.542 68.868 0.049 0.000 1.007 292 T HN 0.855 nan 8.240 nan 0.000 0.528 293 N N 0.580 119.323 118.700 0.073 0.000 2.815 293 N HA -0.155 4.584 4.740 -0.001 0.000 0.247 293 N C -0.033 175.537 175.510 0.100 0.000 1.030 293 N CA 1.031 54.125 53.050 0.072 0.000 0.881 293 N CB -0.516 38.005 38.487 0.056 0.000 1.134 293 N HN 0.766 nan 8.380 nan 0.000 0.582 294 Q N 1.109 120.987 119.800 0.130 0.000 2.293 294 Q HA 0.540 4.880 4.340 -0.001 0.000 0.261 294 Q C -0.370 175.764 176.000 0.223 0.000 0.960 294 Q CA -0.180 55.731 55.803 0.180 0.000 0.882 294 Q CB 1.568 30.428 28.738 0.203 0.000 1.275 294 Q HN 0.316 nan 8.270 nan 0.000 0.445 295 S N 2.756 118.609 115.700 0.254 0.000 2.709 295 S HA 0.874 5.344 4.470 -0.001 0.000 0.302 295 S C -0.592 174.213 174.600 0.343 0.000 1.127 295 S CA -0.646 57.712 58.200 0.263 0.000 0.905 295 S CB 1.271 64.575 63.200 0.174 0.000 1.151 295 S HN 0.566 nan 8.310 nan 0.000 0.510 296 F N -1.321 118.645 119.950 0.027 0.000 2.726 296 F HA 0.909 5.436 4.527 -0.001 0.000 0.324 296 F C -0.747 174.851 175.800 -0.337 0.000 1.140 296 F CA -1.348 56.533 58.000 -0.198 0.000 0.964 296 F CB 1.092 39.737 39.000 -0.592 0.000 1.399 296 F HN 0.972 nan 8.300 nan 0.000 0.491 297 R N 1.571 121.766 120.500 -0.509 0.000 2.725 297 R HA 0.828 5.168 4.340 -0.001 0.000 0.277 297 R C -1.687 174.262 176.300 -0.586 0.000 0.987 297 R CA -0.947 54.605 56.100 -0.914 0.000 0.901 297 R CB 2.409 31.775 30.300 -1.556 0.000 1.207 297 R HN 1.013 nan 8.270 nan 0.000 0.463 298 I N -0.506 119.671 120.570 -0.655 0.000 2.433 298 I HA 0.546 4.716 4.170 -0.001 0.000 0.292 298 I C -1.121 174.828 176.117 -0.280 0.000 1.001 298 I CA -0.709 60.294 61.300 -0.495 0.000 1.119 298 I CB 2.584 40.026 38.000 -0.929 0.000 1.289 298 I HN 0.553 nan 8.210 nan 0.000 0.438 299 T N 7.821 122.357 114.554 -0.030 0.000 2.786 299 T HA 0.544 4.894 4.350 -0.001 0.000 0.283 299 T C -0.186 174.603 174.700 0.148 0.000 0.992 299 T CA -0.392 61.717 62.100 0.014 0.000 0.954 299 T CB 1.123 69.978 68.868 -0.021 0.000 0.934 299 T HN 0.651 nan 8.240 nan 0.000 0.440 300 I N 2.276 122.921 120.570 0.125 0.000 2.460 300 I HA 0.662 4.832 4.170 -0.001 0.000 0.298 300 I C -0.771 175.453 176.117 0.178 0.000 0.989 300 I CA -1.079 60.305 61.300 0.141 0.000 1.173 300 I CB 1.014 39.117 38.000 0.172 0.000 1.338 300 I HN 0.449 nan 8.210 nan 0.000 0.456 301 L N 5.733 127.029 121.223 0.121 0.000 2.454 301 L HA 0.457 4.796 4.340 -0.001 0.000 0.256 301 L C -1.554 175.335 176.870 0.032 0.000 1.136 301 L CA -1.629 53.267 54.840 0.093 0.000 0.804 301 L CB 0.454 42.480 42.059 -0.055 0.000 1.181 301 L HN 0.448 nan 8.230 nan 0.000 0.469 302 P HA -0.150 nan 4.420 nan 0.000 0.220 302 P C 1.054 177.938 177.300 -0.693 0.000 1.148 302 P CA 0.828 63.374 63.100 -0.924 0.000 0.803 302 P CB 0.042 31.515 31.700 -0.378 0.000 0.782 303 Q N -0.012 119.523 119.800 -0.440 0.000 2.135 303 Q HA -0.230 4.110 4.340 -0.001 0.000 0.204 303 Q C 1.856 177.741 176.000 -0.191 0.000 0.981 303 Q CA 1.587 57.173 55.803 -0.361 0.000 0.856 303 Q CB -1.175 27.233 28.738 -0.551 0.000 0.902 303 Q HN 0.305 nan 8.270 nan 0.000 0.425 304 Q N 0.646 120.359 119.800 -0.144 0.000 2.049 304 Q HA -0.108 4.231 4.340 -0.001 0.000 0.198 304 Q C 1.827 177.849 176.000 0.036 0.000 0.971 304 Q CA 1.845 57.641 55.803 -0.012 0.000 0.833 304 Q CB -0.423 28.349 28.738 0.057 0.000 0.896 304 Q HN 0.793 nan 8.270 nan 0.000 0.434 305 Y N -2.209 118.082 120.300 -0.016 0.000 2.490 305 Y HA 0.358 4.907 4.550 -0.001 0.000 0.281 305 Y C -0.334 175.554 175.900 -0.020 0.000 1.174 305 Y CA -0.489 57.586 58.100 -0.043 0.000 1.295 305 Y CB 0.376 38.814 38.460 -0.037 0.000 1.062 305 Y HN -0.121 nan 8.280 nan 0.000 0.522 306 L N 3.899 125.020 121.223 -0.169 0.000 2.345 306 L HA 0.418 4.757 4.340 -0.001 0.000 0.274 306 L C -0.456 176.529 176.870 0.192 0.000 0.999 306 L CA -1.699 53.125 54.840 -0.027 0.000 0.849 306 L CB 1.361 43.213 42.059 -0.345 0.000 1.220 306 L HN 0.305 nan 8.230 nan 0.000 0.422 307 R N 2.580 123.245 120.500 0.275 0.000 2.338 307 R HA 0.699 5.039 4.340 -0.001 0.000 0.317 307 R C -2.619 173.823 176.300 0.237 0.000 0.968 307 R CA -1.874 54.378 56.100 0.254 0.000 0.849 307 R CB 0.687 31.063 30.300 0.127 0.000 1.128 307 R HN 0.212 nan 8.270 nan 0.000 0.448 308 P HA -0.117 nan 4.420 nan 0.000 0.255 308 P C -0.474 176.770 177.300 -0.093 0.000 1.161 308 P CA 0.105 63.069 63.100 -0.228 0.000 0.768 308 P CB 0.361 31.962 31.700 -0.166 0.000 0.746 309 V N 4.764 124.619 119.914 -0.098 0.000 2.322 309 V HA 0.033 4.152 4.120 -0.001 0.000 0.258 309 V C 1.806 177.856 176.094 -0.074 0.000 1.074 309 V CA 0.188 62.461 62.300 -0.045 0.000 0.909 309 V CB 0.119 31.938 31.823 -0.006 0.000 1.090 309 V HN 0.577 nan 8.190 nan 0.000 0.486 310 E N 3.099 123.262 120.200 -0.062 0.000 2.021 310 E HA -0.185 4.165 4.350 -0.001 0.000 0.200 310 E C 0.469 177.032 176.600 -0.060 0.000 1.015 310 E CA 1.389 57.750 56.400 -0.065 0.000 0.824 310 E CB 0.268 29.940 29.700 -0.046 0.000 0.762 310 E HN 0.706 nan 8.360 nan 0.000 0.454 311 D N -0.215 120.157 120.400 -0.047 0.000 2.344 311 D HA 0.238 4.877 4.640 -0.001 0.000 0.239 311 D C -1.210 175.067 176.300 -0.038 0.000 1.064 311 D CA -0.238 53.737 54.000 -0.042 0.000 0.829 311 D CB 1.872 42.650 40.800 -0.036 0.000 1.129 311 D HN 0.017 nan 8.370 nan 0.000 0.506 312 V N 0.073 119.964 119.914 -0.039 0.000 2.524 312 V HA 0.639 4.759 4.120 -0.001 0.000 0.297 312 V C 0.695 176.770 176.094 -0.031 0.000 1.035 312 V CA -0.835 61.445 62.300 -0.034 0.000 0.867 312 V CB 1.183 32.984 31.823 -0.036 0.000 1.004 312 V HN 0.481 nan 8.190 nan 0.000 0.426 313 A N 3.186 125.990 122.820 -0.027 0.000 2.123 313 A HA 0.073 4.392 4.320 -0.001 0.000 0.214 313 A C 1.927 179.497 177.584 -0.023 0.000 1.152 313 A CA 1.513 53.536 52.037 -0.024 0.000 0.728 313 A CB -0.397 18.590 19.000 -0.021 0.000 0.814 313 A HN 1.300 nan 8.150 nan 0.000 0.464 314 T N -3.118 111.422 114.554 -0.024 0.000 3.118 314 T HA 0.220 4.570 4.350 -0.001 0.000 0.260 314 T C 0.762 175.444 174.700 -0.029 0.000 1.139 314 T CA 0.875 62.960 62.100 -0.024 0.000 1.085 314 T CB -0.157 68.698 68.868 -0.022 0.000 0.934 314 T HN 0.310 nan 8.240 nan 0.000 0.518 315 S N -0.349 115.332 115.700 -0.033 0.000 2.806 315 S HA 0.609 5.078 4.470 -0.001 0.000 0.306 315 S C -1.641 172.940 174.600 -0.033 0.000 1.167 315 S CA -0.752 57.425 58.200 -0.037 0.000 0.847 315 S CB 2.025 65.196 63.200 -0.049 0.000 1.216 315 S HN 0.160 nan 8.310 nan 0.000 0.532 316 Q N 1.261 121.042 119.800 -0.032 0.000 2.781 316 Q HA 0.403 4.743 4.340 -0.001 0.000 0.316 316 Q C -1.839 174.148 176.000 -0.022 0.000 0.768 316 Q CA -0.150 55.637 55.803 -0.027 0.000 1.035 316 Q CB 0.319 29.045 28.738 -0.021 0.000 1.466 316 Q HN 0.632 nan 8.270 nan 0.000 0.379 317 D N -0.568 119.816 120.400 -0.027 0.000 2.531 317 D HA 0.226 4.865 4.640 -0.001 0.000 0.244 317 D C -0.915 175.377 176.300 -0.014 0.000 1.090 317 D CA -0.578 53.417 54.000 -0.008 0.000 0.989 317 D CB 1.530 42.321 40.800 -0.014 0.000 1.433 317 D HN 0.049 nan 8.370 nan 0.000 0.492 318 D N 0.732 121.155 120.400 0.038 0.000 2.441 318 D HA 0.120 4.760 4.640 -0.001 0.000 0.243 318 D C -0.391 175.938 176.300 0.048 0.000 1.257 318 D CA 0.199 54.199 54.000 -0.000 0.000 1.027 318 D CB -0.489 40.401 40.800 0.151 0.000 1.084 318 D HN 0.113 nan 8.370 nan 0.000 0.514 319 c N 3.684 122.226 118.600 -0.097 0.000 2.246 319 c HA 0.328 4.898 4.570 -0.001 0.000 0.329 319 c C 0.077 174.129 174.090 -0.064 0.000 1.221 319 c CA -0.894 55.414 56.329 -0.035 0.000 1.697 319 c CB -1.356 41.116 42.510 -0.063 0.000 2.312 319 c HN 0.405 nan 8.230 nan 0.000 0.509 320 Y N 1.308 121.668 120.300 0.101 0.000 2.453 320 Y HA 0.514 5.064 4.550 -0.001 0.000 0.326 320 Y C 0.452 176.459 175.900 0.178 0.000 1.186 320 Y CA -0.623 57.562 58.100 0.142 0.000 1.200 320 Y CB 0.905 39.484 38.460 0.199 0.000 1.247 320 Y HN 0.503 nan 8.280 nan 0.000 0.482 321 K N 1.870 122.476 120.400 0.343 0.000 2.164 321 K HA 0.347 4.666 4.320 -0.001 0.000 0.258 321 K C -1.308 175.487 176.600 0.326 0.000 0.951 321 K CA -0.722 55.761 56.287 0.327 0.000 0.844 321 K CB 0.815 33.419 32.500 0.174 0.000 1.099 321 K HN 0.681 nan 8.250 nan 0.000 0.435 322 F N 3.400 123.374 119.950 0.041 0.000 2.494 322 F HA 0.190 4.716 4.527 -0.001 0.000 0.369 322 F C 0.439 176.253 175.800 0.023 0.000 1.098 322 F CA -0.200 57.744 58.000 -0.093 0.000 1.154 322 F CB 0.621 39.213 39.000 -0.680 0.000 1.103 322 F HN 0.663 nan 8.300 nan 0.000 0.549 323 A N 8.285 130.931 122.820 -0.290 0.000 2.503 323 A HA 0.351 4.671 4.320 -0.001 0.000 0.263 323 A C 0.068 177.418 177.584 -0.390 0.000 1.360 323 A CA -0.157 51.740 52.037 -0.233 0.000 0.969 323 A CB -1.028 17.944 19.000 -0.048 0.000 1.000 323 A HN 0.680 nan 8.150 nan 0.000 0.530 324 I N -0.000 120.077 120.570 -0.821 0.000 2.608 324 I HA 0.547 4.716 4.170 -0.001 0.000 0.295 324 I C 0.000 175.964 176.117 -0.255 0.000 1.049 324 I CA -0.548 60.459 61.300 -0.488 0.000 1.063 324 I CB 2.464 40.213 38.000 -0.419 0.000 1.248 324 I HN 0.251 nan 8.210 nan 0.000 0.424 325 S N 4.067 119.630 115.700 -0.229 0.000 2.615 325 S HA 0.537 5.007 4.470 -0.001 0.000 0.269 325 S C -1.398 172.846 174.600 -0.593 0.000 1.161 325 S CA -0.921 56.983 58.200 -0.494 0.000 0.817 325 S CB 2.077 65.110 63.200 -0.279 0.000 1.131 325 S HN 0.667 nan 8.310 nan 0.000 0.467 326 Q N 0.552 119.911 119.800 -0.735 0.000 2.195 326 Q HA 0.844 5.183 4.340 -0.001 0.000 0.250 326 Q C -0.570 175.302 176.000 -0.214 0.000 0.988 326 Q CA -0.988 54.539 55.803 -0.460 0.000 0.911 326 Q CB 1.509 29.970 28.738 -0.461 0.000 1.258 326 Q HN 0.752 nan 8.270 nan 0.000 0.475 327 S N -0.861 114.767 115.700 -0.120 0.000 2.537 327 S HA 0.296 4.766 4.470 -0.001 0.000 0.271 327 S C -0.606 173.931 174.600 -0.105 0.000 1.148 327 S CA -0.455 57.680 58.200 -0.107 0.000 0.868 327 S CB 1.608 64.743 63.200 -0.108 0.000 1.115 327 S HN 0.620 nan 8.310 nan 0.000 0.461 328 S N 1.582 117.214 115.700 -0.114 0.000 2.517 328 S HA 0.076 4.546 4.470 -0.001 0.000 0.214 328 S C 1.377 175.856 174.600 -0.202 0.000 0.991 328 S CA 0.651 58.766 58.200 -0.141 0.000 0.906 328 S CB 0.049 63.194 63.200 -0.092 0.000 0.789 328 S HN 0.962 nan 8.310 nan 0.000 0.513 329 T N -1.824 112.624 114.554 -0.176 0.000 3.003 329 T HA 0.607 4.956 4.350 -0.001 0.000 0.261 329 T C 0.840 175.415 174.700 -0.210 0.000 1.003 329 T CA 0.329 62.314 62.100 -0.192 0.000 0.917 329 T CB 0.726 69.499 68.868 -0.157 0.000 1.084 329 T HN 0.648 nan 8.240 nan 0.000 0.522 330 G N 0.880 109.575 108.800 -0.174 0.000 2.293 330 G HA2 0.216 4.175 3.960 -0.001 0.000 0.282 330 G HA3 0.216 4.175 3.960 -0.001 0.000 0.282 330 G C -0.915 173.941 174.900 -0.074 0.000 1.299 330 G CA -0.522 44.501 45.100 -0.128 0.000 1.018 330 G HN 0.290 nan 8.290 nan 0.000 0.478 331 T N 0.295 114.832 114.554 -0.029 0.000 2.884 331 T HA 0.501 4.850 4.350 -0.001 0.000 0.298 331 T C 0.058 174.731 174.700 -0.045 0.000 0.998 331 T CA 0.062 62.155 62.100 -0.013 0.000 1.124 331 T CB 1.377 70.258 68.868 0.021 0.000 0.931 331 T HN 0.996 nan 8.240 nan 0.000 0.531 332 V N 4.934 124.823 119.914 -0.041 0.000 2.443 332 V HA 0.332 4.452 4.120 -0.001 0.000 0.293 332 V C -0.086 176.006 176.094 -0.003 0.000 1.021 332 V CA -0.757 61.522 62.300 -0.035 0.000 0.848 332 V CB 1.507 33.297 31.823 -0.054 0.000 0.998 332 V HN 0.891 nan 8.190 nan 0.000 0.424 333 M N 4.582 124.199 119.600 0.028 0.000 2.201 333 M HA 0.463 4.942 4.480 -0.001 0.000 0.345 333 M C 0.821 177.172 176.300 0.085 0.000 1.352 333 M CA 0.170 55.504 55.300 0.057 0.000 1.218 333 M CB 0.776 33.422 32.600 0.078 0.000 1.512 333 M HN 0.780 nan 8.290 nan 0.000 0.447 334 G N 1.145 109.986 108.800 0.068 0.000 2.568 334 G HA2 0.584 4.543 3.960 -0.001 0.000 0.293 334 G HA3 0.584 4.543 3.960 -0.001 0.000 0.293 334 G C 0.753 175.708 174.900 0.093 0.000 1.347 334 G CA -0.231 44.911 45.100 0.070 0.000 1.039 334 G HN 0.735 nan 8.290 nan 0.000 0.523 335 A N -1.343 121.535 122.820 0.096 0.000 2.024 335 A HA 0.014 4.333 4.320 -0.001 0.000 0.220 335 A C 2.377 180.029 177.584 0.113 0.000 1.164 335 A CA 1.936 54.045 52.037 0.119 0.000 0.643 335 A CB -0.550 18.581 19.000 0.218 0.000 0.806 335 A HN 0.555 nan 8.150 nan 0.000 0.451 336 V N 0.148 120.123 119.914 0.101 0.000 2.488 336 V HA -0.135 3.984 4.120 -0.001 0.000 0.246 336 V C 2.297 178.445 176.094 0.090 0.000 1.046 336 V CA 1.348 63.702 62.300 0.089 0.000 1.053 336 V CB -0.339 31.527 31.823 0.072 0.000 0.679 336 V HN 0.515 nan 8.190 nan 0.000 0.458 337 I N -0.319 120.319 120.570 0.113 0.000 2.179 337 I HA -0.258 3.911 4.170 -0.001 0.000 0.242 337 I C 2.420 178.689 176.117 0.254 0.000 1.088 337 I CA 1.998 63.405 61.300 0.178 0.000 1.357 337 I CB -1.052 37.047 38.000 0.165 0.000 1.051 337 I HN 0.319 nan 8.210 nan 0.000 0.409 338 M N -0.070 119.654 119.600 0.208 0.000 2.296 338 M HA -0.178 4.301 4.480 -0.001 0.000 0.265 338 M C 1.932 178.291 176.300 0.098 0.000 1.064 338 M CA 1.348 56.778 55.300 0.217 0.000 1.109 338 M CB -0.491 32.179 32.600 0.116 0.000 1.396 338 M HN 0.185 nan 8.290 nan 0.000 0.430 339 E N 0.283 120.499 120.200 0.026 0.000 2.265 339 E HA -0.124 4.225 4.350 -0.001 0.000 0.196 339 E C 2.030 178.573 176.600 -0.095 0.000 0.996 339 E CA 0.944 57.330 56.400 -0.023 0.000 0.832 339 E CB -0.182 29.531 29.700 0.022 0.000 0.756 339 E HN 0.624 nan 8.360 nan 0.000 0.491 340 G N -0.276 108.347 108.800 -0.296 0.000 2.650 340 G HA2 -0.026 3.934 3.960 -0.001 0.000 0.214 340 G HA3 -0.026 3.934 3.960 -0.001 0.000 0.214 340 G C 0.067 174.339 174.900 -1.047 0.000 1.136 340 G CA 0.119 44.767 45.100 -0.753 0.000 0.789 340 G HN -0.004 nan 8.290 nan 0.000 0.536 341 F N -2.087 117.898 119.950 0.058 0.000 2.576 341 F HA 0.452 4.979 4.527 -0.001 0.000 0.313 341 F C -0.726 175.134 175.800 0.100 0.000 1.078 341 F CA -2.197 55.852 58.000 0.082 0.000 0.921 341 F CB 1.253 40.354 39.000 0.168 0.000 1.232 341 F HN -0.076 nan 8.300 nan 0.000 0.459 342 Y N 2.511 122.897 120.300 0.143 0.000 2.436 342 Y HA 0.548 5.098 4.550 -0.001 0.000 0.336 342 Y C -0.715 175.085 175.900 -0.166 0.000 1.049 342 Y CA -0.881 57.213 58.100 -0.010 0.000 1.294 342 Y CB 0.537 38.989 38.460 -0.013 0.000 1.179 342 Y HN 0.305 nan 8.280 nan 0.000 0.520 343 V N 7.365 126.936 119.914 -0.572 0.000 2.409 343 V HA 0.371 4.490 4.120 -0.001 0.000 0.291 343 V C -0.752 174.764 176.094 -0.963 0.000 1.020 343 V CA -1.040 60.754 62.300 -0.843 0.000 0.848 343 V CB 1.393 32.800 31.823 -0.695 0.000 0.990 343 V HN 0.522 nan 8.190 nan 0.000 0.430 344 V N 5.358 124.649 119.914 -1.038 0.000 2.347 344 V HA 0.431 4.551 4.120 -0.001 0.000 0.280 344 V C -0.515 175.074 176.094 -0.840 0.000 1.021 344 V CA -0.348 61.474 62.300 -0.797 0.000 0.847 344 V CB 1.138 32.622 31.823 -0.565 0.000 0.990 344 V HN 0.704 nan 8.190 nan 0.000 0.444 345 F N 2.961 122.386 119.950 -0.875 0.000 2.451 345 F HA 0.290 4.817 4.527 -0.001 0.000 0.356 345 F C 0.819 176.253 175.800 -0.610 0.000 1.178 345 F CA -0.589 56.849 58.000 -0.938 0.000 1.210 345 F CB 0.347 38.267 39.000 -1.800 0.000 1.504 345 F HN 0.441 nan 8.300 nan 0.000 0.598 346 D N 2.839 123.114 120.400 -0.209 0.000 2.563 346 D HA 0.120 4.760 4.640 -0.001 0.000 0.222 346 D C 1.437 177.751 176.300 0.023 0.000 1.145 346 D CA 0.032 53.982 54.000 -0.084 0.000 1.001 346 D CB 0.203 40.961 40.800 -0.071 0.000 1.049 346 D HN 0.414 nan 8.370 nan 0.000 0.515 347 R N 1.364 121.913 120.500 0.082 0.000 2.081 347 R HA -0.113 4.226 4.340 -0.001 0.000 0.235 347 R C 2.185 178.594 176.300 0.181 0.000 1.131 347 R CA 1.477 57.716 56.100 0.231 0.000 0.960 347 R CB -0.106 30.358 30.300 0.273 0.000 0.856 347 R HN 0.368 nan 8.270 nan 0.000 0.436 348 A N 1.193 124.089 122.820 0.127 0.000 1.958 348 A HA -0.203 4.116 4.320 -0.001 0.000 0.221 348 A C 1.746 179.360 177.584 0.050 0.000 1.178 348 A CA 1.571 53.661 52.037 0.089 0.000 0.642 348 A CB -0.279 18.761 19.000 0.067 0.000 0.816 348 A HN 0.265 nan 8.150 nan 0.000 0.453 349 R N -1.759 118.752 120.500 0.018 0.000 2.509 349 R HA 0.223 4.562 4.340 -0.001 0.000 0.300 349 R C -0.393 175.911 176.300 0.007 0.000 0.985 349 R CA -0.104 55.984 56.100 -0.020 0.000 1.092 349 R CB 0.220 30.457 30.300 -0.105 0.000 1.237 349 R HN 0.394 nan 8.270 nan 0.000 0.546 350 K N 1.861 122.300 120.400 0.066 0.000 3.257 350 K HA -0.224 4.095 4.320 -0.001 0.000 0.270 350 K C -0.793 175.867 176.600 0.100 0.000 0.984 350 K CA 0.974 57.321 56.287 0.100 0.000 0.739 350 K CB -0.893 31.645 32.500 0.063 0.000 1.351 350 K HN 0.482 nan 8.250 nan 0.000 0.463 351 R N -0.809 119.748 120.500 0.095 0.000 2.692 351 R HA 0.601 4.940 4.340 -0.001 0.000 0.269 351 R C -1.147 175.194 176.300 0.069 0.000 1.030 351 R CA -1.106 55.057 56.100 0.105 0.000 0.882 351 R CB 1.224 31.561 30.300 0.062 0.000 1.250 351 R HN 0.050 nan 8.270 nan 0.000 0.465 352 I N 1.174 121.782 120.570 0.062 0.000 2.436 352 I HA 0.438 4.608 4.170 -0.001 0.000 0.289 352 I C 0.083 176.081 176.117 -0.198 0.000 1.010 352 I CA -0.989 60.175 61.300 -0.227 0.000 1.098 352 I CB 2.283 40.054 38.000 -0.382 0.000 1.266 352 I HN 0.866 nan 8.210 nan 0.000 0.434 353 G N 5.466 113.948 108.800 -0.530 0.000 2.356 353 G HA2 0.686 4.645 3.960 -0.001 0.000 0.322 353 G HA3 0.686 4.645 3.960 -0.001 0.000 0.322 353 G C -1.253 173.117 174.900 -0.885 0.000 1.125 353 G CA -0.203 44.333 45.100 -0.940 0.000 0.885 353 G HN 0.339 nan 8.290 nan 0.000 0.467 354 F N 0.821 120.444 119.950 -0.545 0.000 2.520 354 F HA 0.721 5.247 4.527 -0.001 0.000 0.322 354 F C 0.478 176.115 175.800 -0.272 0.000 1.103 354 F CA -0.496 57.285 58.000 -0.365 0.000 0.926 354 F CB 2.658 41.472 39.000 -0.310 0.000 1.154 354 F HN 0.699 nan 8.300 nan 0.000 0.453 355 A N 1.533 124.381 122.820 0.046 0.000 2.527 355 A HA 0.785 5.104 4.320 -0.001 0.000 0.293 355 A C -1.308 176.496 177.584 0.367 0.000 1.117 355 A CA -0.872 51.256 52.037 0.151 0.000 0.723 355 A CB 1.124 20.105 19.000 -0.032 0.000 1.313 355 A HN 0.448 nan 8.150 nan 0.000 0.411 356 V N 1.633 121.737 119.914 0.316 0.000 2.540 356 V HA 0.198 4.317 4.120 -0.001 0.000 0.297 356 V C 1.171 177.359 176.094 0.155 0.000 1.024 356 V CA 0.363 62.760 62.300 0.162 0.000 1.105 356 V CB 0.951 32.772 31.823 -0.003 0.000 0.938 356 V HN 0.880 nan 8.190 nan 0.000 0.482 357 S N 4.280 120.007 115.700 0.046 0.000 2.510 357 S HA 0.322 4.791 4.470 -0.001 0.000 0.279 357 S C 1.344 176.049 174.600 0.175 0.000 1.284 357 S CA -0.183 58.094 58.200 0.129 0.000 1.059 357 S CB 0.999 64.247 63.200 0.080 0.000 0.901 357 S HN 1.028 nan 8.310 nan 0.000 0.491 358 A N 3.612 126.506 122.820 0.123 0.000 2.225 358 A HA -0.040 4.280 4.320 -0.001 0.000 0.215 358 A C 1.781 179.437 177.584 0.121 0.000 1.164 358 A CA 1.202 53.300 52.037 0.102 0.000 0.710 358 A CB -1.127 17.881 19.000 0.013 0.000 0.780 358 A HN 1.276 nan 8.150 nan 0.000 0.473 359 c N -1.125 117.552 118.600 0.129 0.000 3.255 359 c HA 0.382 4.952 4.570 -0.001 0.000 0.282 359 c C 0.783 174.932 174.090 0.099 0.000 1.441 359 c CA -0.255 56.125 56.329 0.085 0.000 1.785 359 c CB -1.671 40.865 42.510 0.044 0.000 2.583 359 c HN 0.670 nan 8.230 nan 0.000 0.615 360 H N 1.256 120.347 119.070 0.035 0.000 2.679 360 H HA 0.451 5.006 4.556 -0.001 0.000 0.369 360 H C -0.166 175.223 175.328 0.103 0.000 1.178 360 H CA 0.651 56.705 56.048 0.010 0.000 1.419 360 H CB 1.086 30.794 29.762 -0.090 0.000 1.458 360 H HN 0.513 nan 8.280 nan 0.000 0.605 361 V N 2.335 122.148 119.914 -0.167 0.000 2.383 361 V HA 0.369 4.489 4.120 -0.001 0.000 0.275 361 V C -0.311 175.581 176.094 -0.336 0.000 1.036 361 V CA -0.646 61.475 62.300 -0.299 0.000 0.889 361 V CB 0.466 32.161 31.823 -0.213 0.000 0.985 361 V HN 1.053 nan 8.190 nan 0.000 0.459 362 H N 2.232 121.046 119.070 -0.426 0.000 2.771 362 H HA 0.581 5.137 4.556 -0.001 0.000 0.361 362 H C -1.008 174.199 175.328 -0.203 0.000 1.108 362 H CA -0.766 55.085 56.048 -0.327 0.000 1.201 362 H CB 1.659 31.234 29.762 -0.312 0.000 1.681 362 H HN 0.751 nan 8.280 nan 0.000 0.534 363 D N 1.530 121.864 120.400 -0.109 0.000 2.380 363 D HA -0.008 4.632 4.640 -0.001 0.000 0.254 363 D C 0.146 176.527 176.300 0.135 0.000 1.288 363 D CA -0.514 53.479 54.000 -0.011 0.000 1.008 363 D CB 0.771 41.564 40.800 -0.011 0.000 1.099 363 D HN 0.576 nan 8.370 nan 0.000 0.537 364 E N -1.309 119.017 120.200 0.209 0.000 2.304 364 E HA 0.197 4.546 4.350 -0.001 0.000 0.212 364 E C -0.599 176.278 176.600 0.461 0.000 1.185 364 E CA -0.053 56.513 56.400 0.276 0.000 1.326 364 E CB -0.195 29.639 29.700 0.223 0.000 1.283 364 E HN 0.296 nan 8.360 nan 0.000 0.440 365 F N -0.751 119.240 119.950 0.068 0.000 2.060 365 F HA 0.387 4.914 4.527 -0.001 0.000 0.218 365 F C 1.193 177.028 175.800 0.059 0.000 1.186 365 F CA -0.116 57.925 58.000 0.068 0.000 1.281 365 F CB -0.106 38.948 39.000 0.090 0.000 1.741 365 F HN -0.192 nan 8.300 nan 0.000 0.359 366 R N -0.306 120.367 120.500 0.287 0.000 2.524 366 R HA 0.685 5.025 4.340 -0.001 0.000 0.236 366 R C -0.921 175.456 176.300 0.129 0.000 1.240 366 R CA -0.171 56.027 56.100 0.163 0.000 1.111 366 R CB 0.517 30.909 30.300 0.154 0.000 1.436 366 R HN 0.235 nan 8.270 nan 0.000 0.573 367 T N -0.935 113.680 114.554 0.102 0.000 2.718 367 T HA 0.396 4.746 4.350 -0.001 0.000 0.306 367 T C -1.440 173.302 174.700 0.070 0.000 1.485 367 T CA -0.797 61.377 62.100 0.123 0.000 0.997 367 T CB 1.457 70.371 68.868 0.077 0.000 1.504 367 T HN 0.661 nan 8.240 nan 0.000 0.497 368 A N 0.490 123.306 122.820 -0.008 0.000 2.331 368 A HA 0.850 5.169 4.320 -0.001 0.000 0.283 368 A C -0.012 177.514 177.584 -0.097 0.000 1.142 368 A CA -0.267 51.661 52.037 -0.183 0.000 0.812 368 A CB 0.051 18.669 19.000 -0.636 0.000 1.074 368 A HN 1.273 nan 8.150 nan 0.000 0.497 369 A N 1.658 124.520 122.820 0.070 0.000 2.414 369 A HA 0.672 4.992 4.320 -0.001 0.000 0.306 369 A C -1.093 176.569 177.584 0.130 0.000 1.054 369 A CA -0.449 51.637 52.037 0.081 0.000 0.724 369 A CB 1.599 20.618 19.000 0.033 0.000 1.267 369 A HN 1.191 nan 8.150 nan 0.000 0.418 370 V N 2.233 122.209 119.914 0.103 0.000 2.376 370 V HA 0.491 4.610 4.120 -0.001 0.000 0.287 370 V C -0.397 175.673 176.094 -0.041 0.000 1.015 370 V CA -0.254 62.067 62.300 0.035 0.000 0.834 370 V CB 0.999 32.894 31.823 0.120 0.000 1.001 370 V HN 0.982 nan 8.190 nan 0.000 0.428 371 E N 2.287 122.384 120.200 -0.171 0.000 2.288 371 E HA 0.866 5.216 4.350 -0.001 0.000 0.268 371 E C 0.078 176.388 176.600 -0.484 0.000 0.885 371 E CA -0.439 55.838 56.400 -0.206 0.000 0.767 371 E CB 2.720 32.440 29.700 0.032 0.000 1.220 371 E HN 0.897 nan 8.360 nan 0.000 0.427 372 G N 1.563 109.905 108.800 -0.764 0.000 2.342 372 G HA2 0.353 4.313 3.960 -0.001 0.000 0.297 372 G HA3 0.353 4.313 3.960 -0.001 0.000 0.297 372 G C -2.866 171.727 174.900 -0.511 0.000 1.313 372 G CA -0.820 43.698 45.100 -0.969 0.000 0.830 372 G HN 0.391 nan 8.290 nan 0.000 0.506 373 P HA 0.629 nan 4.420 nan 0.000 0.277 373 P C -1.296 175.753 177.300 -0.417 0.000 1.240 373 P CA -0.220 62.765 63.100 -0.192 0.000 0.798 373 P CB 0.971 32.748 31.700 0.128 0.000 0.979 374 F N -0.440 119.515 119.950 0.010 0.000 2.523 374 F HA 0.345 4.871 4.527 -0.001 0.000 0.329 374 F C 0.420 176.251 175.800 0.051 0.000 1.061 374 F CA -1.065 56.964 58.000 0.049 0.000 0.967 374 F CB 1.604 40.675 39.000 0.118 0.000 1.218 374 F HN -0.057 nan 8.300 nan 0.000 0.480 375 V N 1.729 121.770 119.914 0.212 0.000 2.368 375 V HA 0.361 4.480 4.120 -0.001 0.000 0.266 375 V C -0.463 175.685 176.094 0.090 0.000 1.045 375 V CA -0.153 62.221 62.300 0.123 0.000 0.899 375 V CB 0.900 32.770 31.823 0.078 0.000 1.006 375 V HN 0.788 nan 8.190 nan 0.000 0.470 376 T N 6.753 121.352 114.554 0.074 0.000 2.890 376 T HA 0.527 4.877 4.350 -0.001 0.000 0.295 376 T C -0.352 174.363 174.700 0.026 0.000 0.993 376 T CA -0.422 61.691 62.100 0.023 0.000 0.979 376 T CB 0.979 69.849 68.868 0.003 0.000 0.967 376 T HN 0.279 nan 8.240 nan 0.000 0.441 377 L N 2.776 124.005 121.223 0.010 0.000 2.375 377 L HA 0.383 4.723 4.340 -0.001 0.000 0.271 377 L C 0.164 177.040 176.870 0.009 0.000 1.107 377 L CA -0.418 54.430 54.840 0.013 0.000 0.806 377 L CB 0.426 42.489 42.059 0.007 0.000 1.146 377 L HN 0.728 nan 8.230 nan 0.000 0.447 378 D N 1.615 122.023 120.400 0.013 0.000 2.835 378 D HA -0.200 4.440 4.640 -0.001 0.000 0.230 378 D C 1.064 177.374 176.300 0.015 0.000 1.130 378 D CA 0.705 54.711 54.000 0.009 0.000 0.738 378 D CB -0.763 40.035 40.800 -0.002 0.000 1.090 378 D HN 0.602 nan 8.370 nan 0.000 0.433 379 M N -0.360 119.256 119.600 0.027 0.000 2.229 379 M HA -0.142 4.338 4.480 -0.001 0.000 0.264 379 M C 2.045 178.371 176.300 0.043 0.000 1.063 379 M CA 1.480 56.803 55.300 0.038 0.000 1.114 379 M CB -0.103 32.528 32.600 0.051 0.000 1.387 379 M HN 0.064 nan 8.290 nan 0.000 0.420 380 E N 0.567 120.790 120.200 0.038 0.000 2.106 380 E HA -0.183 4.167 4.350 -0.001 0.000 0.192 380 E C 1.269 177.886 176.600 0.028 0.000 0.984 380 E CA 1.018 57.440 56.400 0.037 0.000 0.806 380 E CB -0.069 29.648 29.700 0.028 0.000 0.750 380 E HN 0.393 nan 8.360 nan 0.000 0.458 381 D N -0.292 120.116 120.400 0.014 0.000 2.389 381 D HA -0.122 4.517 4.640 -0.001 0.000 0.221 381 D C 1.074 177.379 176.300 0.009 0.000 0.974 381 D CA 0.577 54.577 54.000 -0.000 0.000 0.923 381 D CB -0.200 40.592 40.800 -0.012 0.000 0.892 381 D HN 0.269 nan 8.370 nan 0.000 0.518 382 c N 0.150 118.771 118.600 0.035 0.000 2.563 382 c HA 0.264 4.833 4.570 -0.001 0.000 0.268 382 c C 1.592 175.737 174.090 0.092 0.000 1.365 382 c CA -0.350 56.013 56.329 0.056 0.000 1.754 382 c CB -0.731 41.827 42.510 0.080 0.000 1.932 382 c HN 0.228 nan 8.230 nan 0.000 0.536 383 G N -0.942 107.913 108.800 0.092 0.000 2.415 383 G HA2 0.396 4.356 3.960 -0.001 0.000 0.269 383 G HA3 0.396 4.356 3.960 -0.001 0.000 0.269 383 G C -0.954 174.034 174.900 0.147 0.000 1.209 383 G CA -0.062 45.120 45.100 0.137 0.000 0.835 383 G HN 0.453 nan 8.290 nan 0.000 0.534 384 Y N 2.162 122.523 120.300 0.101 0.000 2.402 384 Y HA 0.172 4.721 4.550 -0.001 0.000 0.333 384 Y C 1.043 176.995 175.900 0.086 0.000 1.076 384 Y CA 0.272 58.434 58.100 0.105 0.000 1.299 384 Y CB 1.028 39.606 38.460 0.197 0.000 1.197 384 Y HN 0.651 nan 8.280 nan 0.000 0.517 385 N N 4.697 123.193 118.700 -0.340 0.000 2.606 385 N HA 0.419 5.159 4.740 -0.001 0.000 0.208 385 N C -0.374 174.812 175.510 -0.540 0.000 1.046 385 N CA 1.065 53.978 53.050 -0.227 0.000 0.891 385 N CB 0.756 39.155 38.487 -0.147 0.000 1.344 385 N HN 0.540 nan 8.380 nan 0.000 0.437 386 I N 0.000 120.005 120.570 -0.941 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