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 2igt_1_A DATA FIRST_RESID -6 DATA SEQUENCE ENLYFQGXQR TGELPAEHVP VILESSGAGD FHLIDSGNGL KLEQYGDYRV DATA SEQUENCE VRPEAQALWR PLVPDRVWQN ADAIFTGDTX XXGXGRWRFP KEALGETWPL DATA SEQUENCE SLLGVEFLGR FTAFRHVGVF PEQIVHWEWL KNAVETADRP LKVLNLFGYT DATA SEQUENCE GVASLVAAAA GAEVTHVDAS KKAIGWAKEN QVLAGLEQAP IRWICEDAXK DATA SEQUENCE FIQREERRGS TYDIILTDPP KFGRGTHGEV WQLFDHLPLX LDICREILSP DATA SEQUENCE KALGLVLTAY SIRASFYSXH ELXRETXRGA GGVVASGELV IREAGLDGKT DATA SEQUENCE PGRVLSTSLF SRWEPK 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 -6 E HA 0.000 nan 4.350 nan 0.000 0.291 -6 E C 0.000 176.593 176.600 -0.012 0.000 1.382 -6 E CA 0.000 56.389 56.400 -0.018 0.000 0.976 -6 E CB 0.000 29.683 29.700 -0.029 0.000 0.812 -5 N N 4.504 123.202 118.700 -0.003 0.000 2.406 -5 N HA 0.108 4.848 4.740 -0.000 0.000 0.265 -5 N C 0.540 176.017 175.510 -0.055 0.000 1.203 -5 N CA 0.055 53.120 53.050 0.024 0.000 0.945 -5 N CB 0.518 39.034 38.487 0.048 0.000 1.165 -5 N HN 0.503 nan 8.380 nan 0.000 0.485 -4 L N 3.183 124.320 121.223 -0.145 0.000 2.388 -4 L HA 0.062 4.402 4.340 -0.000 0.000 0.209 -4 L C 0.531 177.050 176.870 -0.585 0.000 1.061 -4 L CA 0.373 54.928 54.840 -0.475 0.000 0.834 -4 L CB 0.044 41.599 42.059 -0.840 0.000 1.029 -4 L HN 0.611 nan 8.230 nan 0.000 0.473 -3 Y N -2.345 117.945 120.300 -0.016 0.000 2.453 -3 Y HA 0.239 4.788 4.550 -0.000 0.000 0.247 -3 Y C 0.520 176.123 175.900 -0.495 0.000 1.124 -3 Y CA -0.597 57.338 58.100 -0.275 0.000 1.243 -3 Y CB 0.387 38.599 38.460 -0.414 0.000 1.213 -3 Y HN -0.049 nan 8.280 nan 0.000 0.523 -2 F N 0.373 120.402 119.950 0.132 0.000 2.841 -2 F HA 0.330 4.856 4.527 -0.000 0.000 0.358 -2 F C 0.054 175.887 175.800 0.055 0.000 1.261 -2 F CA -0.995 57.074 58.000 0.114 0.000 1.233 -2 F CB 0.043 39.138 39.000 0.159 0.000 1.008 -2 F HN -0.186 nan 8.300 nan 0.000 0.507 -1 Q N 0.586 120.461 119.800 0.125 0.000 2.327 -1 Q HA 0.448 4.788 4.340 -0.000 0.000 0.254 -1 Q C 0.904 176.944 176.000 0.065 0.000 0.952 -1 Q CA -0.313 55.534 55.803 0.073 0.000 0.884 -1 Q CB 1.297 30.047 28.738 0.019 0.000 1.224 -1 Q HN 0.458 nan 8.270 nan 0.000 0.422 3 R N 1.102 121.590 120.500 -0.019 0.000 2.732 3 R HA 0.659 4.999 4.340 -0.000 0.000 0.278 3 R C -0.512 175.778 176.300 -0.017 0.000 0.976 3 R CA -0.424 55.662 56.100 -0.023 0.000 0.963 3 R CB 1.886 32.166 30.300 -0.033 0.000 1.150 3 R HN 0.849 nan 8.270 nan 0.000 0.478 4 T N -2.058 112.486 114.554 -0.015 0.000 2.952 4 T HA 0.787 5.137 4.350 -0.000 0.000 0.286 4 T C 0.611 175.307 174.700 -0.007 0.000 1.024 4 T CA -0.024 62.070 62.100 -0.009 0.000 1.029 4 T CB 1.995 70.859 68.868 -0.007 0.000 1.094 4 T HN 0.825 nan 8.240 nan 0.000 0.515 5 G N 0.806 109.606 108.800 -0.001 0.000 2.526 5 G HA2 0.085 4.045 3.960 -0.000 0.000 0.250 5 G HA3 0.085 4.045 3.960 -0.000 0.000 0.250 5 G C -1.309 173.595 174.900 0.007 0.000 1.289 5 G CA -0.856 44.247 45.100 0.004 0.000 0.947 5 G HN 0.857 nan 8.290 nan 0.000 0.517 6 E N -0.129 120.080 120.200 0.015 0.000 2.242 6 E HA 0.560 4.910 4.350 -0.000 0.000 0.275 6 E C 0.683 177.297 176.600 0.023 0.000 1.002 6 E CA -0.686 55.726 56.400 0.020 0.000 0.841 6 E CB 1.399 31.116 29.700 0.027 0.000 1.109 6 E HN 0.543 nan 8.360 nan 0.000 0.394 7 L N 3.314 124.550 121.223 0.021 0.000 2.461 7 L HA 0.127 4.466 4.340 -0.000 0.000 0.272 7 L C -1.817 175.082 176.870 0.047 0.000 1.197 7 L CA -1.488 53.366 54.840 0.023 0.000 0.836 7 L CB -0.296 41.772 42.059 0.015 0.000 1.105 7 L HN 0.189 nan 8.230 nan 0.000 0.477 8 P HA 0.062 nan 4.420 nan 0.000 0.271 8 P C -0.543 176.793 177.300 0.059 0.000 1.233 8 P CA -0.396 62.769 63.100 0.108 0.000 0.789 8 P CB 0.427 32.254 31.700 0.211 0.000 0.951 9 A N 1.350 124.189 122.820 0.031 0.000 2.475 9 A HA 0.276 4.596 4.320 -0.000 0.000 0.239 9 A C 0.298 177.863 177.584 -0.032 0.000 1.087 9 A CA 0.087 52.119 52.037 -0.008 0.000 0.779 9 A CB -0.360 18.608 19.000 -0.054 0.000 1.036 9 A HN 0.660 nan 8.150 nan 0.000 0.506 10 E N -0.057 120.137 120.200 -0.011 0.000 2.314 10 E HA 0.606 4.956 4.350 -0.000 0.000 0.272 10 E C -1.592 175.023 176.600 0.025 0.000 0.884 10 E CA -0.723 55.723 56.400 0.078 0.000 0.753 10 E CB 1.323 31.215 29.700 0.320 0.000 1.213 10 E HN 0.746 nan 8.360 nan 0.000 0.432 11 H N 0.868 119.990 119.070 0.087 0.000 2.646 11 H HA 0.615 5.171 4.556 -0.000 0.000 0.328 11 H C -1.331 173.934 175.328 -0.104 0.000 0.998 11 H CA -1.227 54.823 56.048 0.003 0.000 1.225 11 H CB 2.100 31.866 29.762 0.007 0.000 1.457 11 H HN 0.303 nan 8.280 nan 0.000 0.505 12 V N 4.677 124.570 119.914 -0.035 0.000 2.950 12 V HA 0.276 4.396 4.120 -0.000 0.000 0.295 12 V C -2.507 173.522 176.094 -0.108 0.000 1.297 12 V CA -1.483 60.667 62.300 -0.250 0.000 0.962 12 V CB 2.237 33.692 31.823 -0.612 0.000 1.081 12 V HN 0.609 nan 8.190 nan 0.000 0.432 13 P HA 0.481 nan 4.420 nan 0.000 0.275 13 P C -1.255 175.841 177.300 -0.339 0.000 1.227 13 P CA -0.190 62.609 63.100 -0.501 0.000 0.781 13 P CB 1.132 32.531 31.700 -0.501 0.000 0.906 14 V N 4.408 124.100 119.914 -0.369 0.000 2.409 14 V HA 0.286 4.406 4.120 -0.000 0.000 0.291 14 V C -0.060 175.996 176.094 -0.064 0.000 1.020 14 V CA -0.614 61.617 62.300 -0.115 0.000 0.848 14 V CB 1.442 33.311 31.823 0.076 0.000 0.990 14 V HN 0.400 nan 8.190 nan 0.000 0.430 15 I N 6.250 126.779 120.570 -0.069 0.000 2.312 15 I HA 0.392 4.562 4.170 -0.000 0.000 0.290 15 I C -0.071 176.020 176.117 -0.043 0.000 1.008 15 I CA -0.322 60.948 61.300 -0.051 0.000 1.226 15 I CB 1.296 39.249 38.000 -0.079 0.000 1.371 15 I HN 0.391 nan 8.210 nan 0.000 0.468 16 L N 6.214 127.398 121.223 -0.066 0.000 2.292 16 L HA 0.442 4.782 4.340 -0.000 0.000 0.284 16 L C 0.330 177.104 176.870 -0.160 0.000 1.065 16 L CA -0.288 54.429 54.840 -0.206 0.000 0.806 16 L CB 1.294 43.053 42.059 -0.501 0.000 1.175 16 L HN 0.609 nan 8.230 nan 0.000 0.431 17 E N 2.502 122.623 120.200 -0.132 0.000 2.248 17 E HA 0.419 4.769 4.350 -0.000 0.000 0.267 17 E C -1.516 175.037 176.600 -0.077 0.000 0.877 17 E CA -0.479 55.871 56.400 -0.082 0.000 0.759 17 E CB 2.180 31.848 29.700 -0.052 0.000 1.182 17 E HN 0.446 nan 8.360 nan 0.000 0.418 18 S N 2.358 118.033 115.700 -0.043 0.000 2.473 18 S HA 0.301 4.771 4.470 -0.000 0.000 0.307 18 S C -0.168 174.457 174.600 0.043 0.000 1.094 18 S CA -0.517 57.679 58.200 -0.007 0.000 1.070 18 S CB 1.637 64.836 63.200 -0.003 0.000 1.019 18 S HN 0.445 nan 8.310 nan 0.000 0.480 19 S N 3.299 119.020 115.700 0.035 0.000 2.593 19 S HA 0.461 4.931 4.470 -0.000 0.000 0.236 19 S C 0.527 175.148 174.600 0.035 0.000 0.991 19 S CA 0.428 58.646 58.200 0.030 0.000 0.963 19 S CB -0.774 62.420 63.200 -0.010 0.000 0.865 19 S HN 1.730 nan 8.310 nan 0.000 0.488 20 G N 1.296 110.160 108.800 0.107 0.000 3.450 20 G HA2 0.146 4.105 3.960 -0.000 0.000 0.668 20 G HA3 0.146 4.105 3.960 -0.000 0.000 0.668 20 G C -0.199 174.752 174.900 0.085 0.000 0.941 20 G CA -0.274 44.922 45.100 0.159 0.000 0.766 20 G HN 0.876 nan 8.290 nan 0.000 0.451 21 A N 2.151 125.049 122.820 0.130 0.000 2.269 21 A HA 1.120 5.440 4.320 -0.000 0.000 0.327 21 A C 1.794 179.454 177.584 0.126 0.000 1.112 21 A CA 1.174 53.264 52.037 0.088 0.000 0.865 21 A CB 0.983 20.033 19.000 0.082 0.000 1.227 21 A HN 2.871 nan 8.150 nan 0.000 0.498 22 G N 0.417 109.270 108.800 0.090 0.000 2.698 22 G HA2 -0.363 3.596 3.960 -0.000 0.000 0.337 22 G HA3 -0.363 3.596 3.960 -0.000 0.000 0.337 22 G C 0.512 175.487 174.900 0.125 0.000 1.196 22 G CA 1.148 46.306 45.100 0.097 0.000 0.965 22 G HN 0.726 nan 8.290 nan 0.000 0.550 23 D N 0.332 120.822 120.400 0.150 0.000 2.340 23 D HA 0.342 4.982 4.640 -0.000 0.000 0.220 23 D C 0.275 176.693 176.300 0.197 0.000 1.039 23 D CA 0.517 54.605 54.000 0.147 0.000 0.866 23 D CB 0.175 41.038 40.800 0.106 0.000 0.913 23 D HN 0.191 nan 8.370 nan 0.000 0.523 24 F N 1.931 121.908 119.950 0.044 0.000 2.547 24 F HA 0.342 4.869 4.527 -0.000 0.000 0.316 24 F C -0.834 174.972 175.800 0.010 0.000 1.121 24 F CA -0.780 57.157 58.000 -0.105 0.000 0.911 24 F CB 1.217 40.153 39.000 -0.107 0.000 1.179 24 F HN -0.058 nan 8.300 nan 0.000 0.443 25 H N 4.770 123.061 119.070 -1.298 0.000 3.042 25 H HA 0.409 4.965 4.556 -0.000 0.000 0.346 25 H C -2.158 172.407 175.328 -1.271 0.000 1.294 25 H CA -1.215 54.000 56.048 -1.389 0.000 1.141 25 H CB 1.571 31.006 29.762 -0.546 0.000 1.872 25 H HN 0.777 nan 8.280 nan 0.000 0.541 26 L N 2.675 123.468 121.223 -0.718 0.000 2.283 26 L HA 0.259 4.599 4.340 -0.000 0.000 0.287 26 L C 0.499 177.311 176.870 -0.096 0.000 1.073 26 L CA -0.057 54.620 54.840 -0.273 0.000 0.822 26 L CB -0.357 41.712 42.059 0.016 0.000 1.186 26 L HN 0.736 nan 8.230 nan 0.000 0.436 27 I N 2.491 122.978 120.570 -0.138 0.000 2.233 27 I HA 0.046 4.216 4.170 -0.000 0.000 0.243 27 I C 0.300 176.406 176.117 -0.018 0.000 1.093 27 I CA 0.894 62.160 61.300 -0.057 0.000 1.380 27 I CB 0.024 37.923 38.000 -0.168 0.000 1.067 27 I HN 0.695 nan 8.210 nan 0.000 0.413 28 D N -1.067 119.315 120.400 -0.030 0.000 2.710 28 D HA 0.409 5.048 4.640 -0.000 0.000 0.276 28 D C -1.429 175.056 176.300 0.309 0.000 1.267 28 D CA -0.160 53.937 54.000 0.162 0.000 0.772 28 D CB 1.641 42.571 40.800 0.217 0.000 1.299 28 D HN 0.095 nan 8.370 nan 0.000 0.421 29 S N -0.239 115.827 115.700 0.611 0.000 2.567 29 S HA 0.911 5.380 4.470 -0.000 0.000 0.270 29 S C -0.250 174.703 174.600 0.587 0.000 1.152 29 S CA -0.133 58.463 58.200 0.660 0.000 0.835 29 S CB 1.472 65.027 63.200 0.592 0.000 1.115 29 S HN 1.303 nan 8.310 nan 0.000 0.459 30 G N 0.800 109.705 108.800 0.175 0.000 2.353 30 G HA2 0.376 4.336 3.960 -0.000 0.000 0.308 30 G HA3 0.376 4.336 3.960 -0.000 0.000 0.308 30 G C -0.758 174.027 174.900 -0.192 0.000 1.418 30 G CA -0.218 44.791 45.100 -0.153 0.000 0.966 30 G HN 1.448 nan 8.290 nan 0.000 0.638 31 N N -0.909 117.659 118.700 -0.219 0.000 2.708 31 N HA -0.150 4.590 4.740 -0.000 0.000 0.249 31 N C 1.589 177.005 175.510 -0.157 0.000 1.097 31 N CA 2.971 55.912 53.050 -0.181 0.000 0.710 31 N CB -1.134 37.235 38.487 -0.196 0.000 1.032 31 N HN 2.569 nan 8.380 nan 0.000 0.551 32 G N -1.749 106.942 108.800 -0.182 0.000 2.143 32 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.248 32 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.248 32 G C -0.117 174.768 174.900 -0.026 0.000 0.991 32 G CA 0.669 45.700 45.100 -0.116 0.000 0.689 32 G HN 0.468 nan 8.290 nan 0.000 0.522 33 L N -0.861 120.376 121.223 0.024 0.000 2.327 33 L HA 0.798 5.138 4.340 -0.000 0.000 0.258 33 L C 0.104 177.196 176.870 0.370 0.000 1.024 33 L CA -1.262 53.700 54.840 0.203 0.000 0.825 33 L CB 2.342 44.550 42.059 0.249 0.000 1.386 33 L HN 0.295 nan 8.230 nan 0.000 0.417 34 K N 1.021 121.666 120.400 0.409 0.000 2.426 34 K HA 0.730 5.050 4.320 -0.000 0.000 0.251 34 K C -1.712 174.970 176.600 0.135 0.000 0.941 34 K CA -0.866 55.632 56.287 0.351 0.000 0.808 34 K CB 2.884 35.558 32.500 0.291 0.000 1.265 34 K HN 0.323 nan 8.250 nan 0.000 0.432 35 L N 1.634 122.722 121.223 -0.225 0.000 2.316 35 L HA 0.431 4.771 4.340 -0.000 0.000 0.280 35 L C -1.371 175.363 176.870 -0.228 0.000 1.006 35 L CA 0.161 54.699 54.840 -0.505 0.000 0.836 35 L CB 1.291 42.524 42.059 -1.375 0.000 1.221 35 L HN 0.799 nan 8.230 nan 0.000 0.418 36 E N 2.729 122.896 120.200 -0.054 0.000 2.312 36 E HA 0.499 4.849 4.350 -0.000 0.000 0.267 36 E C -1.481 175.045 176.600 -0.123 0.000 0.894 36 E CA -0.938 55.422 56.400 -0.066 0.000 0.773 36 E CB 2.146 32.022 29.700 0.292 0.000 1.241 36 E HN 0.441 nan 8.360 nan 0.000 0.432 37 Q N 1.690 121.223 119.800 -0.446 0.000 2.325 37 Q HA 0.294 4.634 4.340 -0.000 0.000 0.262 37 Q C -1.961 173.900 176.000 -0.231 0.000 0.968 37 Q CA -0.354 55.262 55.803 -0.313 0.000 0.877 37 Q CB 0.664 29.064 28.738 -0.564 0.000 1.253 37 Q HN 0.468 nan 8.270 nan 0.000 0.448 38 Y N 3.753 124.196 120.300 0.239 0.000 2.575 38 Y HA 0.506 5.055 4.550 -0.000 0.000 0.326 38 Y C 1.117 177.230 175.900 0.354 0.000 0.979 38 Y CA 0.263 58.602 58.100 0.399 0.000 1.286 38 Y CB 1.356 40.186 38.460 0.617 0.000 1.093 38 Y HN 0.937 nan 8.280 nan 0.000 0.501 39 G N 2.472 111.438 108.800 0.276 0.000 2.629 39 G HA2 -0.393 3.566 3.960 -0.000 0.000 0.313 39 G HA3 -0.393 3.566 3.960 -0.000 0.000 0.313 39 G C 0.804 175.753 174.900 0.081 0.000 1.217 39 G CA 0.805 45.995 45.100 0.150 0.000 0.994 39 G HN 0.541 nan 8.290 nan 0.000 0.549 40 D N 0.125 120.513 120.400 -0.020 0.000 2.355 40 D HA 0.159 4.799 4.640 -0.000 0.000 0.218 40 D C 0.301 176.595 176.300 -0.009 0.000 1.004 40 D CA 0.742 54.696 54.000 -0.076 0.000 0.880 40 D CB 0.030 40.739 40.800 -0.153 0.000 0.911 40 D HN 0.257 nan 8.370 nan 0.000 0.528 41 Y N 0.571 120.831 120.300 -0.066 0.000 2.342 41 Y HA 0.388 4.938 4.550 -0.000 0.000 0.334 41 Y C 0.728 176.629 175.900 0.001 0.000 1.067 41 Y CA -1.351 56.665 58.100 -0.141 0.000 1.128 41 Y CB 0.833 39.009 38.460 -0.472 0.000 1.200 41 Y HN -0.345 nan 8.280 nan 0.000 0.464 42 R N 1.817 122.416 120.500 0.165 0.000 2.294 42 R HA 0.733 5.072 4.340 -0.000 0.000 0.319 42 R C -1.812 174.574 176.300 0.145 0.000 0.984 42 R CA -0.412 55.749 56.100 0.102 0.000 0.861 42 R CB 0.717 31.033 30.300 0.027 0.000 1.104 42 R HN 0.540 nan 8.270 nan 0.000 0.451 43 V N 5.176 125.221 119.914 0.218 0.000 2.656 43 V HA 0.397 4.517 4.120 -0.000 0.000 0.307 43 V C -0.676 175.590 176.094 0.287 0.000 1.051 43 V CA -0.836 61.668 62.300 0.341 0.000 0.893 43 V CB 2.117 34.262 31.823 0.536 0.000 0.999 43 V HN 0.508 nan 8.190 nan 0.000 0.426 44 V N 5.863 125.965 119.914 0.313 0.000 2.435 44 V HA 0.636 4.755 4.120 -0.000 0.000 0.290 44 V C -0.005 176.275 176.094 0.310 0.000 1.030 44 V CA -0.606 61.864 62.300 0.284 0.000 0.881 44 V CB 1.663 33.665 31.823 0.298 0.000 0.983 44 V HN 0.859 nan 8.190 nan 0.000 0.445 45 R N 4.734 125.411 120.500 0.295 0.000 2.771 45 R HA 0.521 4.860 4.340 -0.000 0.000 0.274 45 R C -2.908 173.523 176.300 0.219 0.000 0.987 45 R CA -2.001 54.245 56.100 0.242 0.000 0.908 45 R CB 2.601 33.052 30.300 0.250 0.000 1.213 45 R HN 0.392 nan 8.270 nan 0.000 0.468 46 P HA 0.035 nan 4.420 nan 0.000 0.268 46 P C -0.818 176.566 177.300 0.139 0.000 1.205 46 P CA 0.130 63.314 63.100 0.140 0.000 0.771 46 P CB 0.789 32.564 31.700 0.125 0.000 0.858 47 E N 1.592 121.855 120.200 0.104 0.000 2.649 47 E HA 0.446 4.796 4.350 -0.000 0.000 0.310 47 E C 0.551 177.159 176.600 0.015 0.000 1.036 47 E CA -0.619 55.838 56.400 0.094 0.000 0.772 47 E CB 0.163 29.941 29.700 0.129 0.000 1.513 47 E HN 0.291 nan 8.360 nan 0.000 0.384 48 A N 3.753 126.587 122.820 0.023 0.000 1.978 48 A HA -0.239 4.081 4.320 -0.000 0.000 0.220 48 A C 1.736 179.280 177.584 -0.068 0.000 1.170 48 A CA 1.846 53.872 52.037 -0.018 0.000 0.636 48 A CB -0.404 18.603 19.000 0.011 0.000 0.810 48 A HN 0.681 nan 8.150 nan 0.000 0.448 49 Q N -0.758 119.013 119.800 -0.049 0.000 2.451 49 Q HA 0.345 4.685 4.340 -0.000 0.000 0.206 49 Q C 0.924 176.723 176.000 -0.335 0.000 0.947 49 Q CA 0.576 56.332 55.803 -0.079 0.000 0.937 49 Q CB -0.365 28.398 28.738 0.041 0.000 1.025 49 Q HN 0.436 nan 8.270 nan 0.000 0.511 50 A N 1.616 124.129 122.820 -0.512 0.000 3.052 50 A HA 0.215 4.534 4.320 -0.000 0.000 0.266 50 A C 0.878 177.796 177.584 -1.110 0.000 1.855 50 A CA -0.203 51.067 52.037 -1.279 0.000 1.473 50 A CB -0.680 17.920 19.000 -0.667 0.000 1.038 50 A HN 0.484 nan 8.150 nan 0.000 0.619 51 L N -0.338 120.373 121.223 -0.854 0.000 2.313 51 L HA 0.008 4.348 4.340 -0.000 0.000 0.214 51 L C 1.607 178.357 176.870 -0.200 0.000 1.119 51 L CA -0.059 54.574 54.840 -0.345 0.000 0.809 51 L CB -0.383 41.619 42.059 -0.096 0.000 0.933 51 L HN 0.971 nan 8.230 nan 0.000 0.449 52 W N 0.332 121.661 121.300 0.049 0.000 1.777 52 W HA 0.317 4.977 4.660 -0.000 0.000 0.376 52 W C 0.376 176.915 176.519 0.034 0.000 1.628 52 W CA -1.037 56.333 57.345 0.043 0.000 1.760 52 W CB -0.015 29.477 29.460 0.054 0.000 1.367 52 W HN -0.290 nan 8.180 nan 0.000 0.722 53 R N 0.925 121.634 120.500 0.349 0.000 2.486 53 R HA 0.350 4.690 4.340 -0.000 0.000 0.286 53 R C -2.288 174.184 176.300 0.287 0.000 0.999 53 R CA -1.880 54.334 56.100 0.190 0.000 0.993 53 R CB 0.675 31.043 30.300 0.115 0.000 1.084 53 R HN 0.146 nan 8.270 nan 0.000 0.487 54 P HA 0.080 nan 4.420 nan 0.000 0.268 54 P C 0.200 177.635 177.300 0.225 0.000 1.205 54 P CA 0.092 63.343 63.100 0.251 0.000 0.771 54 P CB 0.557 32.254 31.700 -0.005 0.000 0.858 55 L N 1.310 122.698 121.223 0.274 0.000 2.766 55 L HA 0.193 4.533 4.340 -0.000 0.000 0.242 55 L C 0.208 177.191 176.870 0.188 0.000 1.136 55 L CA -0.016 54.935 54.840 0.185 0.000 0.933 55 L CB 0.425 42.568 42.059 0.140 0.000 1.241 55 L HN 0.131 nan 8.230 nan 0.000 0.522 56 V N 0.439 120.524 119.914 0.286 0.000 2.547 56 V HA 0.367 4.486 4.120 -0.000 0.000 0.299 56 V C -2.104 174.172 176.094 0.302 0.000 1.040 56 V CA -1.773 60.683 62.300 0.259 0.000 0.913 56 V CB 1.655 33.623 31.823 0.240 0.000 0.992 56 V HN -0.052 nan 8.190 nan 0.000 0.449 57 P HA 0.057 nan 4.420 nan 0.000 0.268 57 P C 0.417 177.866 177.300 0.249 0.000 1.208 57 P CA 0.061 63.264 63.100 0.173 0.000 0.777 57 P CB 0.585 32.355 31.700 0.117 0.000 0.875 58 D N 1.817 122.306 120.400 0.149 0.000 2.182 58 D HA -0.191 4.448 4.640 -0.000 0.000 0.201 58 D C 1.747 178.169 176.300 0.202 0.000 0.986 58 D CA 1.212 55.294 54.000 0.136 0.000 0.847 58 D CB -0.025 40.787 40.800 0.020 0.000 0.942 58 D HN 0.353 nan 8.370 nan 0.000 0.467 59 R N -0.268 120.321 120.500 0.149 0.000 2.237 59 R HA -0.037 4.303 4.340 -0.000 0.000 0.219 59 R C 1.686 178.067 176.300 0.135 0.000 1.080 59 R CA 0.890 57.063 56.100 0.122 0.000 0.995 59 R CB -0.380 29.969 30.300 0.082 0.000 0.875 59 R HN 0.137 nan 8.270 nan 0.000 0.462 60 V N 0.188 120.205 119.914 0.173 0.000 2.407 60 V HA -0.124 3.996 4.120 -0.000 0.000 0.245 60 V C 1.790 177.961 176.094 0.129 0.000 1.041 60 V CA 1.374 63.745 62.300 0.119 0.000 1.040 60 V CB -0.619 31.256 31.823 0.085 0.000 0.671 60 V HN 0.313 nan 8.190 nan 0.000 0.455 61 W N 0.128 121.458 121.300 0.049 0.000 2.358 61 W HA -0.121 4.539 4.660 -0.000 0.000 0.303 61 W C 2.656 179.202 176.519 0.045 0.000 1.208 61 W CA 1.012 58.389 57.345 0.054 0.000 1.274 61 W CB -0.552 28.939 29.460 0.051 0.000 1.138 61 W HN 0.163 nan 8.180 nan 0.000 0.515 62 Q N -0.415 119.548 119.800 0.271 0.000 2.170 62 Q HA -0.189 4.151 4.340 -0.000 0.000 0.203 62 Q C 1.441 177.508 176.000 0.110 0.000 0.976 62 Q CA 1.279 57.177 55.803 0.157 0.000 0.858 62 Q CB -0.987 27.818 28.738 0.112 0.000 0.907 62 Q HN 0.348 nan 8.270 nan 0.000 0.433 63 N N 0.411 119.171 118.700 0.099 0.000 2.434 63 N HA 0.076 4.816 4.740 -0.000 0.000 0.196 63 N C -0.586 174.955 175.510 0.052 0.000 1.183 63 N CA 0.186 53.274 53.050 0.063 0.000 0.849 63 N CB 0.064 38.582 38.487 0.053 0.000 0.992 63 N HN 0.149 nan 8.380 nan 0.000 0.460 64 A N -0.141 122.720 122.820 0.068 0.000 2.520 64 A HA 0.035 4.355 4.320 -0.000 0.000 0.235 64 A C 0.872 178.482 177.584 0.042 0.000 1.065 64 A CA 0.055 52.129 52.037 0.062 0.000 0.764 64 A CB 0.250 19.311 19.000 0.102 0.000 1.002 64 A HN 0.402 nan 8.150 nan 0.000 0.502 65 D N 0.419 120.828 120.400 0.014 0.000 2.249 65 D HA 0.249 4.889 4.640 -0.000 0.000 0.205 65 D C 0.577 176.847 176.300 -0.050 0.000 0.962 65 D CA 1.699 55.653 54.000 -0.075 0.000 0.860 65 D CB 0.220 40.893 40.800 -0.211 0.000 0.955 65 D HN 0.690 nan 8.370 nan 0.000 0.505 66 A N 0.512 123.358 122.820 0.043 0.000 2.488 66 A HA 0.638 4.958 4.320 -0.000 0.000 0.298 66 A C -1.242 176.531 177.584 0.316 0.000 1.044 66 A CA -0.563 51.559 52.037 0.142 0.000 0.693 66 A CB 1.439 20.425 19.000 -0.022 0.000 1.272 66 A HN 0.015 nan 8.150 nan 0.000 0.402 67 I N 1.822 122.549 120.570 0.263 0.000 2.478 67 I HA 0.351 4.520 4.170 -0.000 0.000 0.287 67 I C -1.011 175.080 176.117 -0.044 0.000 1.042 67 I CA -0.389 61.016 61.300 0.174 0.000 1.067 67 I CB 1.917 39.948 38.000 0.052 0.000 1.233 67 I HN 0.679 nan 8.210 nan 0.000 0.431 68 F N 6.126 125.781 119.950 -0.492 0.000 2.420 68 F HA 0.514 5.041 4.527 -0.000 0.000 0.352 68 F C 0.462 175.967 175.800 -0.491 0.000 1.108 68 F CA -0.203 57.193 58.000 -1.007 0.000 1.162 68 F CB 1.000 39.168 39.000 -1.387 0.000 1.118 68 F HN 0.486 nan 8.300 nan 0.000 0.510 69 T N 2.687 116.524 114.554 -1.195 0.000 2.841 69 T HA 0.783 5.133 4.350 -0.000 0.000 0.283 69 T C -0.328 173.775 174.700 -0.996 0.000 1.000 69 T CA -0.673 60.967 62.100 -0.767 0.000 0.977 69 T CB 1.385 69.969 68.868 -0.474 0.000 0.979 69 T HN 0.912 nan 8.240 nan 0.000 0.446 70 G N 1.302 109.760 108.800 -0.569 0.000 2.513 70 G HA2 0.473 4.433 3.960 -0.000 0.000 0.317 70 G HA3 0.473 4.433 3.960 -0.000 0.000 0.317 70 G C 0.007 174.777 174.900 -0.216 0.000 1.277 70 G CA -0.734 44.125 45.100 -0.402 0.000 0.955 70 G HN 0.696 nan 8.290 nan 0.000 0.484 71 D N 0.190 120.493 120.400 -0.161 0.000 2.183 71 D HA 0.085 4.725 4.640 -0.000 0.000 0.203 71 D C 1.242 177.520 176.300 -0.036 0.000 0.969 71 D CA 1.345 55.291 54.000 -0.089 0.000 0.842 71 D CB 0.510 41.266 40.800 -0.073 0.000 0.957 71 D HN 0.374 nan 8.370 nan 0.000 0.484 79 R N -0.805 119.320 120.500 -0.625 0.000 2.548 79 R HA 0.448 4.788 4.340 -0.000 0.000 0.280 79 R C -1.792 174.185 176.300 -0.538 0.000 1.061 79 R CA -0.747 55.126 56.100 -0.379 0.000 0.915 79 R CB 1.503 31.636 30.300 -0.277 0.000 1.210 79 R HN 0.482 nan 8.270 nan 0.000 0.442 80 W N 3.419 124.511 121.300 -0.346 0.000 2.287 80 W HA 0.356 5.016 4.660 -0.000 0.000 0.313 80 W C 0.478 176.464 176.519 -0.888 0.000 1.267 80 W CA -0.225 56.775 57.345 -0.577 0.000 1.201 80 W CB 0.900 29.910 29.460 -0.749 0.000 1.196 80 W HN 0.307 nan 8.180 nan 0.000 0.536 81 R N 2.812 123.010 120.500 -0.503 0.000 2.346 81 R HA 0.447 4.787 4.340 -0.000 0.000 0.311 81 R C -1.562 174.419 176.300 -0.532 0.000 0.983 81 R CA -0.536 55.286 56.100 -0.464 0.000 0.880 81 R CB 0.199 30.360 30.300 -0.232 0.000 1.100 81 R HN 0.285 nan 8.270 nan 0.000 0.453 82 F N 7.361 127.246 119.950 -0.109 0.000 2.307 82 F HA 0.403 4.930 4.527 -0.000 0.000 0.369 82 F C -1.584 174.149 175.800 -0.112 0.000 1.076 82 F CA -2.512 55.385 58.000 -0.171 0.000 1.149 82 F CB 1.737 40.590 39.000 -0.245 0.000 1.410 82 F HN 0.584 nan 8.300 nan 0.000 0.481 83 P HA -0.088 nan 4.420 nan 0.000 0.219 83 P C 1.163 178.477 177.300 0.024 0.000 1.150 83 P CA 1.401 64.517 63.100 0.026 0.000 0.814 83 P CB 0.378 32.090 31.700 0.020 0.000 0.787 84 K N -0.390 120.020 120.400 0.018 0.000 2.044 84 K HA 0.035 4.355 4.320 -0.000 0.000 0.204 84 K C 0.810 177.407 176.600 -0.004 0.000 1.045 84 K CA 0.915 57.203 56.287 0.002 0.000 0.951 84 K CB 0.113 32.607 32.500 -0.010 0.000 0.738 84 K HN 0.365 nan 8.250 nan 0.000 0.443 85 E N -0.804 119.386 120.200 -0.017 0.000 2.401 85 E HA 0.460 4.810 4.350 -0.000 0.000 0.280 85 E C -1.676 174.884 176.600 -0.067 0.000 1.039 85 E CA -1.032 55.350 56.400 -0.030 0.000 0.814 85 E CB 0.998 30.671 29.700 -0.046 0.000 1.275 85 E HN 0.019 nan 8.360 nan 0.000 0.448 86 A N 2.243 125.028 122.820 -0.058 0.000 2.548 86 A HA 0.288 4.608 4.320 -0.000 0.000 0.247 86 A C -0.122 177.223 177.584 -0.399 0.000 1.067 86 A CA 0.116 52.071 52.037 -0.135 0.000 0.757 86 A CB -0.289 18.683 19.000 -0.046 0.000 0.996 86 A HN 0.467 nan 8.150 nan 0.000 0.504 87 L N 2.902 123.533 121.223 -0.988 0.000 2.322 87 L HA 0.526 4.866 4.340 -0.000 0.000 0.279 87 L C 1.282 177.821 176.870 -0.551 0.000 1.036 87 L CA -0.700 53.603 54.840 -0.895 0.000 0.807 87 L CB 1.416 42.629 42.059 -1.409 0.000 1.226 87 L HN 0.862 nan 8.230 nan 0.000 0.433 88 G N 0.281 108.971 108.800 -0.183 0.000 2.699 88 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.246 88 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.246 88 G C 0.646 175.617 174.900 0.118 0.000 1.219 88 G CA -0.227 44.861 45.100 -0.019 0.000 0.866 88 G HN 0.888 nan 8.290 nan 0.000 0.572 89 E N -1.162 119.121 120.200 0.138 0.000 2.118 89 E HA -0.087 4.263 4.350 -0.000 0.000 0.195 89 E C 1.197 177.896 176.600 0.165 0.000 0.992 89 E CA 1.441 57.957 56.400 0.194 0.000 0.804 89 E CB 0.054 29.824 29.700 0.117 0.000 0.741 89 E HN 0.565 nan 8.360 nan 0.000 0.458 90 T N -2.600 112.033 114.554 0.130 0.000 2.901 90 T HA 0.548 4.897 4.350 -0.000 0.000 0.293 90 T C -1.194 173.645 174.700 0.232 0.000 1.084 90 T CA -0.855 61.278 62.100 0.056 0.000 1.008 90 T CB 1.385 70.187 68.868 -0.110 0.000 1.170 90 T HN 0.343 nan 8.240 nan 0.000 0.509 91 W N 0.132 121.272 121.300 -0.265 0.000 3.296 91 W HA 0.677 5.336 4.660 -0.000 0.000 0.314 91 W C -3.286 173.037 176.519 -0.327 0.000 1.238 91 W CA -2.425 54.739 57.345 -0.301 0.000 1.193 91 W CB 0.593 29.770 29.460 -0.471 0.000 1.383 91 W HN 0.594 nan 8.180 nan 0.000 0.545 92 P HA 0.360 nan 4.420 nan 0.000 0.280 92 P C -0.917 176.115 177.300 -0.446 0.000 1.244 92 P CA 0.161 63.053 63.100 -0.347 0.000 0.784 92 P CB 1.952 33.531 31.700 -0.202 0.000 0.913 93 L N 1.305 122.113 121.223 -0.692 0.000 2.327 93 L HA 0.663 5.003 4.340 -0.000 0.000 0.258 93 L C 0.118 176.518 176.870 -0.783 0.000 1.024 93 L CA -0.777 53.599 54.840 -0.774 0.000 0.825 93 L CB 2.303 43.650 42.059 -1.188 0.000 1.386 93 L HN 0.338 nan 8.230 nan 0.000 0.417 94 S N 1.132 116.584 115.700 -0.412 0.000 2.548 94 S HA 0.822 5.292 4.470 -0.000 0.000 0.276 94 S C -1.518 173.184 174.600 0.170 0.000 1.129 94 S CA -0.431 57.707 58.200 -0.104 0.000 0.931 94 S CB 1.136 64.307 63.200 -0.048 0.000 1.068 94 S HN 0.474 nan 8.310 nan 0.000 0.480 95 L N 4.076 125.518 121.223 0.366 0.000 2.482 95 L HA 0.562 4.902 4.340 -0.000 0.000 0.263 95 L C -0.661 176.372 176.870 0.271 0.000 0.957 95 L CA -0.973 54.093 54.840 0.376 0.000 0.836 95 L CB 1.812 44.218 42.059 0.578 0.000 1.324 95 L HN 0.765 nan 8.230 nan 0.000 0.406 96 L N 4.056 125.417 121.223 0.230 0.000 3.737 96 L HA -0.238 4.101 4.340 -0.000 0.000 0.418 96 L C 0.985 177.919 176.870 0.108 0.000 1.216 96 L CA 1.645 56.591 54.840 0.176 0.000 0.915 96 L CB -1.095 41.109 42.059 0.243 0.000 1.834 96 L HN 1.095 nan 8.230 nan 0.000 0.943 97 G N -2.555 106.301 108.800 0.093 0.000 2.179 97 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.260 97 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.260 97 G C 0.267 175.195 174.900 0.046 0.000 0.977 97 G CA 0.073 45.207 45.100 0.056 0.000 0.641 97 G HN 0.827 nan 8.290 nan 0.000 0.533 98 V N 1.613 121.569 119.914 0.070 0.000 2.398 98 V HA 0.461 4.581 4.120 -0.000 0.000 0.286 98 V C 0.443 176.628 176.094 0.151 0.000 1.026 98 V CA -0.978 61.363 62.300 0.069 0.000 0.868 98 V CB 1.780 33.601 31.823 -0.004 0.000 0.982 98 V HN 0.306 nan 8.190 nan 0.000 0.443 99 E N 4.080 124.326 120.200 0.076 0.000 2.366 99 E HA 0.538 4.888 4.350 -0.000 0.000 0.266 99 E C -0.907 175.761 176.600 0.113 0.000 1.051 99 E CA 0.105 56.508 56.400 0.005 0.000 0.884 99 E CB 1.672 31.342 29.700 -0.050 0.000 1.006 99 E HN 0.564 nan 8.360 nan 0.000 0.417 100 F N -0.672 119.189 119.950 -0.149 0.000 2.858 100 F HA 0.444 4.971 4.527 -0.000 0.000 0.319 100 F C -1.922 173.711 175.800 -0.278 0.000 1.166 100 F CA -1.195 56.687 58.000 -0.197 0.000 0.899 100 F CB 0.689 39.567 39.000 -0.203 0.000 1.332 100 F HN 0.145 nan 8.300 nan 0.000 0.461 101 L N 2.016 123.129 121.223 -0.184 0.000 2.307 101 L HA 0.710 5.050 4.340 -0.000 0.000 0.284 101 L C 0.611 177.122 176.870 -0.598 0.000 1.023 101 L CA -0.935 53.636 54.840 -0.449 0.000 0.810 101 L CB 1.497 43.347 42.059 -0.347 0.000 1.231 101 L HN 0.998 nan 8.230 nan 0.000 0.423 102 G N 2.249 110.339 108.800 -1.183 0.000 2.483 102 G HA2 0.432 4.392 3.960 -0.000 0.000 0.248 102 G HA3 0.432 4.392 3.960 -0.000 0.000 0.248 102 G C -0.637 173.409 174.900 -1.424 0.000 1.248 102 G CA -0.288 43.738 45.100 -1.791 0.000 0.838 102 G HN 0.654 nan 8.290 nan 0.000 0.566 103 R N 1.266 121.158 120.500 -1.014 0.000 2.533 103 R HA 0.341 4.681 4.340 -0.000 0.000 0.288 103 R C -1.439 174.644 176.300 -0.362 0.000 1.039 103 R CA -0.771 54.985 56.100 -0.574 0.000 0.909 103 R CB 1.000 30.913 30.300 -0.645 0.000 1.195 103 R HN 0.341 nan 8.270 nan 0.000 0.438 104 F N 3.465 123.418 119.950 0.006 0.000 2.413 104 F HA 0.238 4.765 4.527 -0.000 0.000 0.359 104 F C 1.173 177.028 175.800 0.092 0.000 1.122 104 F CA -0.037 57.887 58.000 -0.127 0.000 1.160 104 F CB 1.288 40.100 39.000 -0.313 0.000 1.146 104 F HN 0.476 nan 8.300 nan 0.000 0.514 105 T N -0.796 114.024 114.554 0.443 0.000 2.819 105 T HA 0.680 5.030 4.350 -0.000 0.000 0.271 105 T C 1.042 176.078 174.700 0.560 0.000 0.986 105 T CA -0.298 62.070 62.100 0.447 0.000 0.989 105 T CB 1.296 70.439 68.868 0.459 0.000 1.396 105 T HN 0.425 nan 8.240 nan 0.000 0.597 106 A N -0.710 122.311 122.820 0.334 0.000 2.238 106 A HA 0.422 4.742 4.320 -0.000 0.000 0.208 106 A C 0.132 177.722 177.584 0.010 0.000 1.177 106 A CA -0.067 52.055 52.037 0.141 0.000 0.804 106 A CB -0.953 17.980 19.000 -0.111 0.000 0.823 106 A HN 0.577 nan 8.150 nan 0.000 0.482 107 F N -0.892 119.217 119.950 0.265 0.000 2.457 107 F HA 0.403 4.930 4.527 -0.000 0.000 0.330 107 F C 1.760 177.204 175.800 -0.593 0.000 1.069 107 F CA -0.846 57.119 58.000 -0.058 0.000 1.009 107 F CB 0.979 39.957 39.000 -0.036 0.000 1.276 107 F HN 0.156 nan 8.300 nan 0.000 0.492 108 R N -0.090 119.816 120.500 -0.989 0.000 2.235 108 R HA 0.002 4.341 4.340 -0.000 0.000 0.213 108 R C -0.056 176.088 176.300 -0.261 0.000 1.059 108 R CA 0.576 55.874 56.100 -1.336 0.000 0.997 108 R CB -0.653 28.988 30.300 -1.098 0.000 0.884 108 R HN 0.446 nan 8.270 nan 0.000 0.462 109 H N 1.040 120.081 119.070 -0.049 0.000 2.836 109 H HA 0.027 4.583 4.556 -0.000 0.000 0.368 109 H C 1.114 176.469 175.328 0.044 0.000 1.164 109 H CA 0.433 56.450 56.048 -0.051 0.000 1.425 109 H CB 1.436 31.165 29.762 -0.056 0.000 1.414 109 H HN 0.124 nan 8.280 nan 0.000 0.614 110 V N -2.088 117.827 119.914 0.001 0.000 3.346 110 V HA 0.409 4.529 4.120 -0.000 0.000 0.309 110 V C 1.193 177.068 176.094 -0.365 0.000 1.457 110 V CA 0.428 62.622 62.300 -0.177 0.000 1.069 110 V CB 0.299 31.927 31.823 -0.325 0.000 0.944 110 V HN 1.005 nan 8.190 nan 0.000 0.449 111 G N -0.528 108.123 108.800 -0.248 0.000 2.163 111 G HA2 -0.091 3.868 3.960 -0.000 0.000 0.213 111 G HA3 -0.091 3.868 3.960 -0.000 0.000 0.213 111 G C -0.110 174.648 174.900 -0.236 0.000 0.991 111 G CA 0.344 45.237 45.100 -0.345 0.000 0.653 111 G HN 1.562 nan 8.290 nan 0.000 0.518 112 V N -0.590 119.231 119.914 -0.155 0.000 3.098 112 V HA 0.718 4.837 4.120 -0.000 0.000 0.294 112 V C -1.548 174.430 176.094 -0.192 0.000 1.351 112 V CA -1.171 61.103 62.300 -0.043 0.000 0.999 112 V CB 1.635 33.458 31.823 0.001 0.000 1.104 112 V HN 0.458 nan 8.190 nan 0.000 0.438 113 F N 7.429 127.438 119.950 0.099 0.000 2.300 113 F HA 0.496 5.022 4.527 -0.000 0.000 0.364 113 F C -1.425 174.332 175.800 -0.072 0.000 1.090 113 F CA -1.867 56.127 58.000 -0.010 0.000 1.200 113 F CB 1.569 40.526 39.000 -0.072 0.000 1.493 113 F HN 0.413 nan 8.300 nan 0.000 0.518 114 P HA -0.196 nan 4.420 nan 0.000 0.223 114 P C 1.360 178.484 177.300 -0.294 0.000 1.151 114 P CA 1.160 64.137 63.100 -0.206 0.000 0.787 114 P CB 0.168 31.501 31.700 -0.612 0.000 0.788 115 E N 0.698 120.774 120.200 -0.206 0.000 2.209 115 E HA -0.220 4.130 4.350 -0.000 0.000 0.196 115 E C 1.487 177.884 176.600 -0.338 0.000 0.993 115 E CA 1.043 57.356 56.400 -0.145 0.000 0.819 115 E CB -1.024 28.676 29.700 0.001 0.000 0.745 115 E HN 0.258 nan 8.360 nan 0.000 0.477 116 Q N 0.622 120.138 119.800 -0.474 0.000 2.508 116 Q HA -0.021 4.319 4.340 -0.000 0.000 0.214 116 Q C 2.188 177.285 176.000 -1.506 0.000 0.979 116 Q CA 0.433 55.773 55.803 -0.773 0.000 0.911 116 Q CB -0.488 27.931 28.738 -0.532 0.000 0.969 116 Q HN 0.492 nan 8.270 nan 0.000 0.504 117 I N -0.086 119.691 120.570 -1.322 0.000 2.315 117 I HA -0.290 3.880 4.170 -0.000 0.000 0.251 117 I C 1.736 177.667 176.117 -0.310 0.000 1.125 117 I CA 0.751 61.643 61.300 -0.679 0.000 1.392 117 I CB 0.138 38.046 38.000 -0.155 0.000 1.065 117 I HN -0.020 nan 8.210 nan 0.000 0.424 118 V N 0.743 120.426 119.914 -0.385 0.000 2.287 118 V HA -0.323 3.797 4.120 -0.000 0.000 0.248 118 V C 2.420 178.358 176.094 -0.260 0.000 1.053 118 V CA 2.052 64.158 62.300 -0.324 0.000 1.027 118 V CB -1.160 30.389 31.823 -0.457 0.000 0.646 118 V HN 0.490 nan 8.190 nan 0.000 0.447 119 H N -1.686 117.260 119.070 -0.207 0.000 2.395 119 H HA -0.124 4.432 4.556 -0.000 0.000 0.299 119 H C 2.196 177.676 175.328 0.254 0.000 1.070 119 H CA 1.565 57.599 56.048 -0.024 0.000 1.356 119 H CB -0.268 29.439 29.762 -0.091 0.000 1.401 119 H HN 0.495 nan 8.280 nan 0.000 0.524 120 W N 1.818 123.246 121.300 0.212 0.000 2.363 120 W HA -0.072 4.588 4.660 -0.000 0.000 0.296 120 W C 2.142 178.738 176.519 0.128 0.000 1.212 120 W CA 0.230 57.670 57.345 0.158 0.000 1.260 120 W CB -0.713 28.805 29.460 0.097 0.000 1.131 120 W HN 0.244 nan 8.180 nan 0.000 0.530 121 E N -0.768 119.617 120.200 0.307 0.000 2.072 121 E HA -0.218 4.131 4.350 -0.000 0.000 0.191 121 E C 1.922 178.623 176.600 0.169 0.000 0.985 121 E CA 1.559 58.072 56.400 0.188 0.000 0.801 121 E CB -0.997 28.772 29.700 0.115 0.000 0.750 121 E HN 0.441 nan 8.360 nan 0.000 0.452 122 W N 1.763 123.098 121.300 0.058 0.000 2.335 122 W HA -0.246 4.414 4.660 -0.000 0.000 0.311 122 W C 2.174 178.739 176.519 0.077 0.000 1.213 122 W CA 1.574 58.950 57.345 0.053 0.000 1.274 122 W CB -0.422 29.069 29.460 0.051 0.000 1.148 122 W HN 0.102 nan 8.180 nan 0.000 0.498 123 L N 1.873 123.226 121.223 0.216 0.000 1.994 123 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 123 L C 2.624 179.416 176.870 -0.130 0.000 1.071 123 L CA 2.744 57.573 54.840 -0.019 0.000 0.745 123 L CB -1.396 40.849 42.059 0.310 0.000 0.892 123 L HN 0.088 nan 8.230 nan 0.000 0.431 124 K N -0.374 120.023 120.400 -0.005 0.000 2.020 124 K HA -0.289 4.031 4.320 -0.000 0.000 0.212 124 K C 2.217 178.756 176.600 -0.100 0.000 1.050 124 K CA 2.025 58.295 56.287 -0.028 0.000 0.929 124 K CB -0.503 32.017 32.500 0.035 0.000 0.714 124 K HN 0.591 nan 8.250 nan 0.000 0.443 125 N N 0.228 118.849 118.700 -0.132 0.000 2.069 125 N HA -0.217 4.523 4.740 -0.000 0.000 0.191 125 N C 1.737 177.098 175.510 -0.249 0.000 1.031 125 N CA 1.693 54.642 53.050 -0.167 0.000 0.852 125 N CB -0.176 38.214 38.487 -0.162 0.000 1.018 125 N HN 0.321 nan 8.380 nan 0.000 0.423 126 A N 0.902 123.455 122.820 -0.446 0.000 1.883 126 A HA -0.088 4.231 4.320 -0.000 0.000 0.217 126 A C 2.571 180.001 177.584 -0.255 0.000 1.186 126 A CA 1.705 53.464 52.037 -0.464 0.000 0.624 126 A CB -0.841 17.651 19.000 -0.847 0.000 0.822 126 A HN 0.234 nan 8.150 nan 0.000 0.444 127 V N -0.033 119.757 119.914 -0.207 0.000 2.307 127 V HA -0.228 3.892 4.120 -0.000 0.000 0.245 127 V C 2.419 178.461 176.094 -0.086 0.000 1.045 127 V CA 2.139 64.371 62.300 -0.114 0.000 1.024 127 V CB -0.859 30.917 31.823 -0.079 0.000 0.651 127 V HN 0.613 nan 8.190 nan 0.000 0.449 128 E N 0.538 120.687 120.200 -0.085 0.000 2.077 128 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 128 E C 2.233 178.798 176.600 -0.058 0.000 0.989 128 E CA 1.900 58.264 56.400 -0.060 0.000 0.800 128 E CB -0.267 29.403 29.700 -0.050 0.000 0.746 128 E HN 0.789 nan 8.360 nan 0.000 0.452 129 T N -1.263 113.246 114.554 -0.075 0.000 3.113 129 T HA 0.284 4.634 4.350 -0.000 0.000 0.256 129 T C 0.787 175.454 174.700 -0.056 0.000 1.131 129 T CA 0.166 62.229 62.100 -0.063 0.000 1.074 129 T CB 0.131 68.957 68.868 -0.070 0.000 0.944 129 T HN 0.097 nan 8.240 nan 0.000 0.516 130 A N 1.539 124.322 122.820 -0.062 0.000 2.425 130 A HA 0.317 4.637 4.320 -0.000 0.000 0.242 130 A C 0.995 178.561 177.584 -0.031 0.000 1.077 130 A CA -0.346 51.664 52.037 -0.045 0.000 0.781 130 A CB 0.133 19.106 19.000 -0.046 0.000 1.020 130 A HN 0.270 nan 8.150 nan 0.000 0.494 131 D N -0.022 120.365 120.400 -0.021 0.000 2.340 131 D HA 0.064 4.704 4.640 -0.000 0.000 0.220 131 D C 0.654 176.946 176.300 -0.014 0.000 1.039 131 D CA 0.679 54.669 54.000 -0.016 0.000 0.866 131 D CB 0.125 40.919 40.800 -0.011 0.000 0.913 131 D HN 0.695 nan 8.370 nan 0.000 0.523 132 R N -0.378 120.114 120.500 -0.014 0.000 2.774 132 R HA 0.590 4.930 4.340 -0.000 0.000 0.272 132 R C -3.177 173.115 176.300 -0.014 0.000 1.000 132 R CA -1.785 54.308 56.100 -0.012 0.000 0.906 132 R CB 0.653 30.948 30.300 -0.008 0.000 1.227 132 R HN -0.340 nan 8.270 nan 0.000 0.468 133 P HA 0.112 nan 4.420 nan 0.000 0.271 133 P C -0.529 176.766 177.300 -0.008 0.000 1.233 133 P CA -0.102 62.989 63.100 -0.015 0.000 0.764 133 P CB 0.474 32.165 31.700 -0.016 0.000 0.825 134 L N 3.696 124.916 121.223 -0.004 0.000 2.371 134 L HA 0.239 4.579 4.340 -0.000 0.000 0.272 134 L C 0.972 177.863 176.870 0.034 0.000 1.124 134 L CA -0.358 54.491 54.840 0.015 0.000 0.816 134 L CB 0.410 42.477 42.059 0.013 0.000 1.129 134 L HN 0.242 nan 8.230 nan 0.000 0.448 135 K N 2.546 122.981 120.400 0.058 0.000 2.285 135 K HA 0.392 4.711 4.320 -0.000 0.000 0.286 135 K C -0.958 175.781 176.600 0.233 0.000 1.072 135 K CA -0.357 55.997 56.287 0.112 0.000 0.913 135 K CB 1.361 33.876 32.500 0.026 0.000 1.067 135 K HN 0.266 nan 8.250 nan 0.000 0.479 136 V N 4.993 125.032 119.914 0.209 0.000 2.448 136 V HA 0.294 4.414 4.120 -0.000 0.000 0.295 136 V C -0.738 175.409 176.094 0.088 0.000 1.025 136 V CA -1.004 61.388 62.300 0.153 0.000 0.859 136 V CB 1.438 33.306 31.823 0.076 0.000 0.988 136 V HN 0.536 nan 8.190 nan 0.000 0.431 137 L N 4.862 126.038 121.223 -0.079 0.000 2.307 137 L HA 0.676 5.016 4.340 -0.000 0.000 0.284 137 L C -0.423 176.337 176.870 -0.183 0.000 1.023 137 L CA 0.069 54.708 54.840 -0.334 0.000 0.810 137 L CB 1.602 43.115 42.059 -0.909 0.000 1.231 137 L HN 0.661 nan 8.230 nan 0.000 0.423 138 N N 5.043 123.630 118.700 -0.189 0.000 2.573 138 N HA 0.397 5.136 4.740 -0.000 0.000 0.262 138 N C -1.655 173.699 175.510 -0.259 0.000 1.029 138 N CA -0.333 52.620 53.050 -0.161 0.000 0.882 138 N CB 0.585 38.997 38.487 -0.126 0.000 1.204 138 N HN 0.623 nan 8.380 nan 0.000 0.519 139 L N 3.456 124.564 121.223 -0.191 0.000 2.312 139 L HA 0.473 4.812 4.340 -0.000 0.000 0.281 139 L C 0.060 176.857 176.870 -0.122 0.000 1.070 139 L CA -0.820 53.854 54.840 -0.276 0.000 0.805 139 L CB 0.215 42.135 42.059 -0.232 0.000 1.174 139 L HN 0.526 nan 8.230 nan 0.000 0.434 140 F N 1.019 120.795 119.950 -0.291 0.000 3.040 140 F HA -0.205 4.321 4.527 -0.000 0.000 0.298 140 F C 1.547 177.237 175.800 -0.183 0.000 0.948 140 F CA 0.530 58.382 58.000 -0.247 0.000 1.022 140 F CB -1.756 37.083 39.000 -0.269 0.000 1.023 140 F HN 0.710 nan 8.300 nan 0.000 0.742 141 G N -1.266 107.404 108.800 -0.217 0.000 2.534 141 G HA2 0.040 4.000 3.960 -0.000 0.000 0.217 141 G HA3 0.040 4.000 3.960 -0.000 0.000 0.217 141 G C 0.556 175.579 174.900 0.205 0.000 1.128 141 G CA 0.903 45.832 45.100 -0.286 0.000 0.784 141 G HN 0.645 nan 8.290 nan 0.000 0.542 142 Y N 0.795 121.166 120.300 0.118 0.000 2.887 142 Y HA -0.432 4.118 4.550 -0.000 0.000 0.467 142 Y C 2.208 178.295 175.900 0.312 0.000 1.191 142 Y CA 2.618 60.845 58.100 0.213 0.000 2.539 142 Y CB -1.234 37.330 38.460 0.173 0.000 1.225 142 Y HN 0.296 nan 8.280 nan 0.000 0.630 143 T N -0.051 114.333 114.554 -0.284 0.000 3.148 143 T HA 0.394 4.744 4.350 -0.000 0.000 0.253 143 T C 1.455 176.139 174.700 -0.028 0.000 1.134 143 T CA 1.110 63.063 62.100 -0.245 0.000 1.051 143 T CB -0.718 67.833 68.868 -0.528 0.000 0.959 143 T HN 2.073 nan 8.240 nan 0.000 0.525 144 G N 0.608 109.517 108.800 0.183 0.000 2.160 144 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.251 144 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.251 144 G C 0.786 175.666 174.900 -0.032 0.000 1.008 144 G CA 0.159 45.409 45.100 0.251 0.000 0.724 144 G HN 0.513 nan 8.290 nan 0.000 0.514 145 V N 0.168 119.929 119.914 -0.254 0.000 2.407 145 V HA -0.101 4.018 4.120 -0.000 0.000 0.248 145 V C 3.199 178.859 176.094 -0.723 0.000 1.055 145 V CA 3.003 64.927 62.300 -0.628 0.000 1.049 145 V CB -0.909 30.252 31.823 -1.105 0.000 0.662 145 V HN 0.955 nan 8.190 nan 0.000 0.455 146 A N -0.279 122.212 122.820 -0.550 0.000 1.902 146 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 146 A C 2.484 179.971 177.584 -0.163 0.000 1.181 146 A CA 2.215 54.032 52.037 -0.368 0.000 0.623 146 A CB -0.684 18.355 19.000 0.064 0.000 0.818 146 A HN 0.519 nan 8.150 nan 0.000 0.443 147 S N -0.051 115.608 115.700 -0.068 0.000 2.368 147 S HA -0.105 4.365 4.470 -0.000 0.000 0.225 147 S C 1.791 176.332 174.600 -0.098 0.000 1.030 147 S CA 1.535 59.709 58.200 -0.044 0.000 0.999 147 S CB -0.428 62.803 63.200 0.052 0.000 0.844 147 S HN 0.525 nan 8.310 nan 0.000 0.459 148 L N 0.827 121.979 121.223 -0.118 0.000 2.109 148 L HA -0.026 4.314 4.340 -0.000 0.000 0.207 148 L C 2.336 179.134 176.870 -0.119 0.000 1.086 148 L CA 0.618 55.396 54.840 -0.103 0.000 0.760 148 L CB -0.713 41.290 42.059 -0.094 0.000 0.910 148 L HN 0.181 nan 8.230 nan 0.000 0.437 149 V N 0.485 120.286 119.914 -0.187 0.000 2.287 149 V HA -0.335 3.785 4.120 -0.000 0.000 0.248 149 V C 2.817 178.871 176.094 -0.067 0.000 1.053 149 V CA 2.019 64.240 62.300 -0.132 0.000 1.027 149 V CB -0.931 30.790 31.823 -0.170 0.000 0.646 149 V HN 0.488 nan 8.190 nan 0.000 0.447 150 A N -0.092 122.692 122.820 -0.061 0.000 1.877 150 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 150 A C 2.428 179.985 177.584 -0.045 0.000 1.186 150 A CA 2.242 54.257 52.037 -0.036 0.000 0.620 150 A CB -0.896 18.094 19.000 -0.017 0.000 0.822 150 A HN 0.594 nan 8.150 nan 0.000 0.443 151 A N -0.228 122.556 122.820 -0.060 0.000 1.933 151 A HA 0.161 4.481 4.320 -0.000 0.000 0.218 151 A C 2.484 180.042 177.584 -0.042 0.000 1.175 151 A CA 2.067 54.069 52.037 -0.059 0.000 0.628 151 A CB -0.985 17.969 19.000 -0.078 0.000 0.814 151 A HN 1.100 nan 8.150 nan 0.000 0.444 152 A N -0.275 122.521 122.820 -0.040 0.000 1.972 152 A HA 0.184 4.504 4.320 -0.000 0.000 0.219 152 A C 2.303 179.873 177.584 -0.024 0.000 1.169 152 A CA 1.854 53.874 52.037 -0.028 0.000 0.635 152 A CB -0.755 18.230 19.000 -0.025 0.000 0.810 152 A HN 1.098 nan 8.150 nan 0.000 0.446 153 A N -2.106 120.697 122.820 -0.028 0.000 2.238 153 A HA 0.413 4.732 4.320 -0.000 0.000 0.208 153 A C 1.682 179.248 177.584 -0.030 0.000 1.177 153 A CA 1.263 53.283 52.037 -0.028 0.000 0.804 153 A CB -0.708 18.272 19.000 -0.033 0.000 0.823 153 A HN 1.850 nan 8.150 nan 0.000 0.482 154 G N -2.456 106.326 108.800 -0.029 0.000 2.168 154 G HA2 0.182 4.142 3.960 -0.000 0.000 0.197 154 G HA3 0.182 4.142 3.960 -0.000 0.000 0.197 154 G C 0.328 175.212 174.900 -0.027 0.000 0.997 154 G CA 0.093 45.177 45.100 -0.027 0.000 0.658 154 G HN 1.433 nan 8.290 nan 0.000 0.513 155 A N 0.059 122.862 122.820 -0.028 0.000 2.322 155 A HA 0.671 4.990 4.320 -0.000 0.000 0.269 155 A C 0.359 177.928 177.584 -0.025 0.000 1.094 155 A CA -0.104 51.920 52.037 -0.020 0.000 0.807 155 A CB 0.378 19.371 19.000 -0.013 0.000 1.047 155 A HN 0.439 nan 8.150 nan 0.000 0.487 156 E N 0.846 121.038 120.200 -0.012 0.000 2.105 156 E HA 0.398 4.748 4.350 -0.000 0.000 0.285 156 E C -1.107 175.494 176.600 0.001 0.000 1.055 156 E CA -0.346 56.044 56.400 -0.017 0.000 0.843 156 E CB 1.160 30.854 29.700 -0.011 0.000 1.067 156 E HN 0.321 nan 8.360 nan 0.000 0.398 157 V N 3.322 123.204 119.914 -0.053 0.000 2.435 157 V HA 0.272 4.391 4.120 -0.000 0.000 0.290 157 V C 0.116 176.146 176.094 -0.107 0.000 1.030 157 V CA -0.631 61.623 62.300 -0.075 0.000 0.881 157 V CB 1.890 33.621 31.823 -0.153 0.000 0.983 157 V HN 0.640 nan 8.190 nan 0.000 0.445 158 T N 4.333 118.862 114.554 -0.041 0.000 2.772 158 T HA 0.347 4.697 4.350 -0.000 0.000 0.288 158 T C -0.650 173.952 174.700 -0.163 0.000 0.994 158 T CA -0.227 61.823 62.100 -0.083 0.000 0.951 158 T CB 0.215 69.152 68.868 0.116 0.000 0.933 158 T HN 0.718 nan 8.240 nan 0.000 0.447 159 H N 3.372 122.235 119.070 -0.345 0.000 2.511 159 H HA 0.564 5.119 4.556 -0.000 0.000 0.328 159 H C -1.433 173.753 175.328 -0.236 0.000 1.044 159 H CA -0.572 55.316 56.048 -0.267 0.000 1.212 159 H CB 0.863 30.430 29.762 -0.324 0.000 1.428 159 H HN 0.323 nan 8.280 nan 0.000 0.483 160 V N 6.533 126.211 119.914 -0.393 0.000 2.409 160 V HA 0.267 4.387 4.120 -0.000 0.000 0.291 160 V C -0.089 175.783 176.094 -0.370 0.000 1.020 160 V CA -0.680 61.381 62.300 -0.398 0.000 0.848 160 V CB 1.620 33.118 31.823 -0.541 0.000 0.990 160 V HN 0.776 nan 8.190 nan 0.000 0.430 161 D N 2.931 123.214 120.400 -0.196 0.000 2.947 161 D HA 0.486 5.125 4.640 -0.000 0.000 0.224 161 D C 0.505 176.719 176.300 -0.143 0.000 1.230 161 D CA -0.187 53.724 54.000 -0.147 0.000 0.871 161 D CB 2.821 43.654 40.800 0.053 0.000 1.671 161 D HN 0.494 nan 8.370 nan 0.000 0.507 162 A N 2.383 125.104 122.820 -0.165 0.000 2.119 162 A HA 0.008 4.328 4.320 -0.000 0.000 0.217 162 A C 1.108 178.622 177.584 -0.116 0.000 1.153 162 A CA 0.651 52.598 52.037 -0.150 0.000 0.692 162 A CB 0.079 18.996 19.000 -0.138 0.000 0.799 162 A HN 0.285 nan 8.150 nan 0.000 0.458 163 S N -0.402 115.243 115.700 -0.092 0.000 2.430 163 S HA 0.278 4.748 4.470 -0.000 0.000 0.289 163 S C 0.911 175.413 174.600 -0.163 0.000 1.143 163 S CA -0.460 57.671 58.200 -0.114 0.000 1.067 163 S CB 0.883 64.019 63.200 -0.105 0.000 0.964 163 S HN 0.459 nan 8.310 nan 0.000 0.485 164 K N 4.504 124.804 120.400 -0.166 0.000 2.147 164 K HA -0.107 4.212 4.320 -0.000 0.000 0.205 164 K C 1.994 178.419 176.600 -0.291 0.000 1.049 164 K CA 1.387 57.561 56.287 -0.187 0.000 0.936 164 K CB -0.120 32.295 32.500 -0.141 0.000 0.722 164 K HN 0.684 nan 8.250 nan 0.000 0.446 165 K N 0.190 120.372 120.400 -0.363 0.000 2.026 165 K HA -0.143 4.176 4.320 -0.000 0.000 0.208 165 K C 1.945 177.927 176.600 -1.029 0.000 1.048 165 K CA 1.370 57.277 56.287 -0.632 0.000 0.929 165 K CB -0.219 31.913 32.500 -0.615 0.000 0.713 165 K HN 0.222 nan 8.250 nan 0.000 0.439 166 A N 1.382 123.736 122.820 -0.778 0.000 1.902 166 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 166 A C 2.046 179.465 177.584 -0.276 0.000 1.181 166 A CA 1.324 53.056 52.037 -0.509 0.000 0.623 166 A CB -0.518 18.420 19.000 -0.103 0.000 0.818 166 A HN 0.312 nan 8.150 nan 0.000 0.443 167 I N 0.054 120.467 120.570 -0.262 0.000 2.208 167 I HA -0.213 3.956 4.170 -0.000 0.000 0.245 167 I C 2.687 178.521 176.117 -0.473 0.000 1.097 167 I CA 1.613 62.730 61.300 -0.304 0.000 1.363 167 I CB -1.915 35.955 38.000 -0.217 0.000 1.051 167 I HN 0.370 nan 8.210 nan 0.000 0.413 168 G N 0.079 108.637 108.800 -0.405 0.000 2.440 168 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 168 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 168 G C 1.387 176.165 174.900 -0.203 0.000 1.154 168 G CA 0.309 45.206 45.100 -0.338 0.000 0.767 168 G HN 0.265 nan 8.290 nan 0.000 0.552 169 W N 1.114 122.262 121.300 -0.253 0.000 2.358 169 W HA 0.089 4.748 4.660 -0.000 0.000 0.303 169 W C 2.952 179.285 176.519 -0.310 0.000 1.208 169 W CA 0.781 57.979 57.345 -0.245 0.000 1.274 169 W CB -1.257 28.066 29.460 -0.227 0.000 1.138 169 W HN 0.333 nan 8.180 nan 0.000 0.515 170 A N 0.472 123.196 122.820 -0.159 0.000 1.902 170 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 170 A C 2.072 179.351 177.584 -0.509 0.000 1.181 170 A CA 2.081 53.928 52.037 -0.316 0.000 0.623 170 A CB -0.740 18.004 19.000 -0.427 0.000 0.818 170 A HN 0.283 nan 8.150 nan 0.000 0.443 171 K N -0.377 119.530 120.400 -0.822 0.000 2.057 171 K HA -0.165 4.155 4.320 -0.000 0.000 0.207 171 K C 1.991 178.419 176.600 -0.287 0.000 1.049 171 K CA 1.582 57.448 56.287 -0.701 0.000 0.931 171 K CB -0.205 31.840 32.500 -0.758 0.000 0.714 171 K HN 0.616 nan 8.250 nan 0.000 0.440 172 E N 0.650 120.727 120.200 -0.204 0.000 2.097 172 E HA -0.194 4.156 4.350 -0.000 0.000 0.196 172 E C 1.820 178.371 176.600 -0.082 0.000 1.000 172 E CA 1.106 57.443 56.400 -0.106 0.000 0.804 172 E CB -0.053 29.613 29.700 -0.057 0.000 0.740 172 E HN 0.280 nan 8.360 nan 0.000 0.454 173 N N 0.777 119.430 118.700 -0.078 0.000 2.120 173 N HA -0.197 4.543 4.740 -0.000 0.000 0.188 173 N C 1.771 177.281 175.510 0.000 0.000 1.024 173 N CA 0.912 53.946 53.050 -0.027 0.000 0.852 173 N CB -0.392 38.086 38.487 -0.014 0.000 1.003 173 N HN 0.256 nan 8.380 nan 0.000 0.424 174 Q N 0.907 120.716 119.800 0.015 0.000 2.077 174 Q HA -0.130 4.210 4.340 -0.000 0.000 0.206 174 Q C 1.775 177.794 176.000 0.031 0.000 0.989 174 Q CA 1.510 57.360 55.803 0.077 0.000 0.853 174 Q CB 0.064 28.933 28.738 0.219 0.000 0.907 174 Q HN 0.113 nan 8.270 nan 0.000 0.418 175 V N 0.944 120.855 119.914 -0.006 0.000 2.261 175 V HA -0.277 3.842 4.120 -0.000 0.000 0.246 175 V C 2.372 178.456 176.094 -0.017 0.000 1.047 175 V CA 1.664 63.956 62.300 -0.014 0.000 1.015 175 V CB -0.644 31.159 31.823 -0.034 0.000 0.642 175 V HN 0.395 nan 8.190 nan 0.000 0.446 176 L N 0.617 121.823 121.223 -0.027 0.000 2.079 176 L HA -0.113 4.227 4.340 -0.000 0.000 0.210 176 L C 2.294 179.151 176.870 -0.022 0.000 1.081 176 L CA 2.261 57.080 54.840 -0.035 0.000 0.752 176 L CB -0.685 41.342 42.059 -0.055 0.000 0.896 176 L HN 0.268 nan 8.230 nan 0.000 0.433 177 A N -1.226 121.592 122.820 -0.004 0.000 2.206 177 A HA 0.323 4.642 4.320 -0.000 0.000 0.211 177 A C 1.634 179.219 177.584 0.001 0.000 1.158 177 A CA 0.669 52.709 52.037 0.004 0.000 0.761 177 A CB -0.871 18.140 19.000 0.017 0.000 0.801 177 A HN 0.759 nan 8.150 nan 0.000 0.473 178 G N -1.239 107.561 108.800 0.000 0.000 2.182 178 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.248 178 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.248 178 G C 0.307 175.211 174.900 0.006 0.000 1.042 178 G CA 0.394 45.494 45.100 0.000 0.000 0.775 178 G HN 0.554 nan 8.290 nan 0.000 0.501 179 L N -0.493 120.740 121.223 0.017 0.000 2.965 179 L HA 0.296 4.636 4.340 -0.000 0.000 0.254 179 L C 1.993 178.887 176.870 0.040 0.000 1.220 179 L CA -0.163 54.690 54.840 0.022 0.000 1.023 179 L CB 0.136 42.207 42.059 0.021 0.000 1.355 179 L HN 0.279 nan 8.230 nan 0.000 0.545 180 E N 1.135 121.358 120.200 0.039 0.000 2.160 180 E HA -0.265 4.085 4.350 -0.000 0.000 0.195 180 E C 1.538 178.165 176.600 0.044 0.000 0.991 180 E CA 1.403 57.833 56.400 0.051 0.000 0.810 180 E CB 0.109 29.827 29.700 0.030 0.000 0.742 180 E HN 0.621 nan 8.360 nan 0.000 0.466 181 Q N 0.025 119.839 119.800 0.024 0.000 2.246 181 Q HA 0.317 4.657 4.340 -0.000 0.000 0.202 181 Q C 0.098 176.100 176.000 0.004 0.000 0.883 181 Q CA -0.220 55.592 55.803 0.014 0.000 0.952 181 Q CB 0.648 29.390 28.738 0.007 0.000 1.078 181 Q HN -0.033 nan 8.270 nan 0.000 0.493 182 A N 3.046 125.867 122.820 0.002 0.000 2.322 182 A HA 0.428 4.748 4.320 -0.000 0.000 0.269 182 A C -2.226 175.334 177.584 -0.040 0.000 1.094 182 A CA -1.713 50.312 52.037 -0.020 0.000 0.807 182 A CB 0.044 19.028 19.000 -0.026 0.000 1.047 182 A HN 0.192 nan 8.150 nan 0.000 0.487 183 P HA 0.227 nan 4.420 nan 0.000 0.256 183 P C -0.998 176.220 177.300 -0.136 0.000 1.688 183 P CA 0.679 63.736 63.100 -0.072 0.000 1.162 183 P CB -0.419 31.250 31.700 -0.050 0.000 1.870 184 I N 2.763 123.205 120.570 -0.213 0.000 2.389 184 I HA 0.376 4.546 4.170 -0.000 0.000 0.288 184 I C 0.774 176.563 176.117 -0.547 0.000 0.999 184 I CA -0.967 60.060 61.300 -0.455 0.000 1.129 184 I CB 2.176 39.763 38.000 -0.688 0.000 1.288 184 I HN 0.019 nan 8.210 nan 0.000 0.444 185 R N 5.288 125.519 120.500 -0.448 0.000 2.297 185 R HA 0.361 4.701 4.340 -0.000 0.000 0.308 185 R C -1.681 174.349 176.300 -0.449 0.000 1.029 185 R CA -0.324 55.587 56.100 -0.315 0.000 0.929 185 R CB 0.876 31.104 30.300 -0.121 0.000 1.046 185 R HN 0.477 nan 8.270 nan 0.000 0.461 186 W N 6.128 127.385 121.300 -0.072 0.000 2.329 186 W HA 0.387 5.046 4.660 -0.001 0.000 0.312 186 W C -0.554 175.894 176.519 -0.119 0.000 1.054 186 W CA -0.728 56.557 57.345 -0.099 0.000 1.245 186 W CB 1.070 30.452 29.460 -0.129 0.000 1.255 186 W HN 0.153 nan 8.180 nan 0.000 0.436 187 I N 4.124 124.712 120.570 0.030 0.000 2.382 187 I HA 0.133 4.303 4.170 -0.000 0.000 0.286 187 I C -0.372 175.672 176.117 -0.121 0.000 1.002 187 I CA -0.970 60.235 61.300 -0.159 0.000 1.135 187 I CB 1.278 38.930 38.000 -0.580 0.000 1.288 187 I HN 0.422 nan 8.210 nan 0.000 0.448 188 C N 7.438 126.686 119.300 -0.086 0.000 2.146 188 C HA 0.619 5.078 4.460 -0.000 0.000 0.338 188 C C 0.106 175.015 174.990 -0.136 0.000 1.074 188 C CA 0.034 58.992 59.018 -0.101 0.000 1.527 188 C CB -1.044 26.647 27.740 -0.082 0.000 1.915 188 C HN 0.933 nan 8.230 nan 0.000 0.453 189 E N 2.851 122.947 120.200 -0.173 0.000 2.407 189 E HA 0.236 4.586 4.350 -0.000 0.000 0.279 189 E C -1.468 175.023 176.600 -0.183 0.000 1.012 189 E CA -0.588 55.722 56.400 -0.151 0.000 0.800 189 E CB 1.322 30.987 29.700 -0.058 0.000 1.276 189 E HN 0.653 nan 8.360 nan 0.000 0.452 190 D N 1.413 121.728 120.400 -0.141 0.000 2.533 190 D HA 0.218 4.858 4.640 -0.000 0.000 0.236 190 D C -0.093 176.089 176.300 -0.197 0.000 1.137 190 D CA 0.687 54.594 54.000 -0.155 0.000 0.867 190 D CB 0.859 41.624 40.800 -0.059 0.000 1.170 190 D HN 0.577 nan 8.370 nan 0.000 0.474 194 F N 3.854 123.763 119.950 -0.068 0.000 2.095 194 F HA -0.080 4.447 4.527 -0.000 0.000 0.298 194 F C 1.844 177.620 175.800 -0.039 0.000 1.104 194 F CA 2.264 60.227 58.000 -0.061 0.000 1.232 194 F CB -0.132 38.803 39.000 -0.108 0.000 0.987 194 F HN 0.239 nan 8.300 nan 0.000 0.475 195 I N -1.334 119.171 120.570 -0.107 0.000 2.439 195 I HA -0.191 3.979 4.170 -0.000 0.000 0.251 195 I C 2.313 178.340 176.117 -0.150 0.000 1.139 195 I CA 1.458 62.650 61.300 -0.181 0.000 1.438 195 I CB -1.040 36.932 38.000 -0.046 0.000 1.085 195 I HN 0.309 nan 8.210 nan 0.000 0.427 196 Q N 1.441 121.191 119.800 -0.083 0.000 2.119 196 Q HA -0.155 4.185 4.340 -0.000 0.000 0.201 196 Q C 2.432 178.375 176.000 -0.095 0.000 0.972 196 Q CA 1.442 57.211 55.803 -0.055 0.000 0.847 196 Q CB 0.054 28.789 28.738 -0.005 0.000 0.903 196 Q HN 0.550 nan 8.270 nan 0.000 0.433 197 R N 0.004 120.421 120.500 -0.140 0.000 2.096 197 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 197 R C 2.146 178.314 176.300 -0.220 0.000 1.127 197 R CA 1.180 57.186 56.100 -0.156 0.000 0.968 197 R CB -0.052 30.170 30.300 -0.130 0.000 0.861 197 R HN 0.245 nan 8.270 nan 0.000 0.440 198 E N 0.762 120.738 120.200 -0.373 0.000 2.085 198 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 198 E C 1.817 178.335 176.600 -0.137 0.000 0.994 198 E CA 1.123 57.346 56.400 -0.295 0.000 0.801 198 E CB -0.107 29.395 29.700 -0.331 0.000 0.743 198 E HN 0.450 nan 8.360 nan 0.000 0.453 199 E N 0.947 121.082 120.200 -0.109 0.000 2.077 199 E HA -0.232 4.117 4.350 -0.000 0.000 0.193 199 E C 2.086 178.651 176.600 -0.057 0.000 0.989 199 E CA 1.533 57.897 56.400 -0.060 0.000 0.800 199 E CB 0.003 29.678 29.700 -0.042 0.000 0.746 199 E HN 0.148 nan 8.360 nan 0.000 0.452 200 R N 0.187 120.648 120.500 -0.064 0.000 2.189 200 R HA -0.015 4.325 4.340 -0.000 0.000 0.218 200 R C 2.019 178.288 176.300 -0.052 0.000 1.074 200 R CA 1.061 57.131 56.100 -0.050 0.000 0.991 200 R CB -0.272 30.003 30.300 -0.043 0.000 0.883 200 R HN 0.028 nan 8.270 nan 0.000 0.457 201 R N 0.246 120.705 120.500 -0.068 0.000 2.276 201 R HA 0.119 4.459 4.340 -0.000 0.000 0.203 201 R C 0.682 176.947 176.300 -0.058 0.000 1.017 201 R CA 0.685 56.748 56.100 -0.062 0.000 1.010 201 R CB 0.111 30.366 30.300 -0.075 0.000 0.900 201 R HN 0.588 nan 8.270 nan 0.000 0.469 202 G N 0.981 109.747 108.800 -0.058 0.000 2.143 202 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.248 202 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.248 202 G C -0.001 174.859 174.900 -0.067 0.000 0.991 202 G CA 0.283 45.352 45.100 -0.052 0.000 0.689 202 G HN 0.300 nan 8.290 nan 0.000 0.522 203 S N 0.344 115.994 115.700 -0.084 0.000 2.579 203 S HA 0.621 5.091 4.470 -0.000 0.000 0.275 203 S C 0.669 175.190 174.600 -0.133 0.000 1.345 203 S CA 0.668 58.787 58.200 -0.135 0.000 1.031 203 S CB 1.343 64.457 63.200 -0.142 0.000 0.892 203 S HN 1.368 nan 8.310 nan 0.000 0.529 204 T N 0.057 114.461 114.554 -0.251 0.000 2.903 204 T HA 0.712 5.061 4.350 -0.000 0.000 0.299 204 T C -1.483 172.988 174.700 -0.381 0.000 1.093 204 T CA -0.701 61.301 62.100 -0.164 0.000 1.002 204 T CB 0.787 69.616 68.868 -0.064 0.000 1.127 204 T HN 0.443 nan 8.240 nan 0.000 0.488 205 Y N -0.076 120.241 120.300 0.029 0.000 2.512 205 Y HA 0.433 4.982 4.550 -0.000 0.000 0.348 205 Y C 0.795 176.736 175.900 0.069 0.000 0.990 205 Y CA -1.054 57.074 58.100 0.047 0.000 1.033 205 Y CB 2.047 40.541 38.460 0.057 0.000 1.259 205 Y HN 0.659 nan 8.280 nan 0.000 0.461 206 D N 1.318 121.852 120.400 0.224 0.000 2.213 206 D HA 0.124 4.764 4.640 -0.000 0.000 0.205 206 D C 0.020 176.457 176.300 0.229 0.000 0.961 206 D CA 1.459 55.568 54.000 0.182 0.000 0.853 206 D CB 0.908 41.779 40.800 0.117 0.000 0.967 206 D HN 0.332 nan 8.370 nan 0.000 0.496 207 I N 1.030 121.745 120.570 0.241 0.000 2.569 207 I HA 0.328 4.498 4.170 -0.000 0.000 0.290 207 I C -0.815 175.423 176.117 0.201 0.000 1.088 207 I CA -0.619 60.840 61.300 0.264 0.000 1.047 207 I CB 2.884 41.043 38.000 0.265 0.000 1.237 207 I HN -0.326 nan 8.210 nan 0.000 0.421 208 I N 6.656 127.334 120.570 0.180 0.000 2.447 208 I HA 0.434 4.604 4.170 -0.000 0.000 0.287 208 I C -0.832 175.331 176.117 0.076 0.000 1.023 208 I CA -0.536 60.804 61.300 0.066 0.000 1.083 208 I CB 1.788 39.805 38.000 0.028 0.000 1.245 208 I HN 0.268 nan 8.210 nan 0.000 0.434 209 L N 5.153 126.399 121.223 0.039 0.000 2.329 209 L HA 0.706 5.046 4.340 -0.000 0.000 0.279 209 L C -0.080 176.795 176.870 0.008 0.000 1.014 209 L CA -0.477 54.382 54.840 0.032 0.000 0.814 209 L CB 1.902 44.002 42.059 0.068 0.000 1.257 209 L HN 0.482 nan 8.230 nan 0.000 0.424 210 T N -0.098 114.464 114.554 0.014 0.000 2.991 210 T HA 0.287 4.637 4.350 -0.000 0.000 0.303 210 T C -1.337 173.374 174.700 0.018 0.000 1.015 210 T CA -0.413 61.728 62.100 0.069 0.000 1.007 210 T CB 1.318 70.244 68.868 0.098 0.000 1.034 210 T HN 0.672 nan 8.240 nan 0.000 0.446 211 D N 5.503 125.920 120.400 0.028 0.000 2.943 211 D HA 0.356 4.996 4.640 -0.000 0.000 0.347 211 D C -2.300 173.712 176.300 -0.480 0.000 1.305 211 D CA -1.760 52.161 54.000 -0.132 0.000 0.870 211 D CB 0.810 41.568 40.800 -0.069 0.000 1.081 211 D HN 0.308 nan 8.370 nan 0.000 0.492 212 P HA 0.219 nan 4.420 nan 0.000 0.271 212 P C -2.618 174.314 177.300 -0.613 0.000 1.216 212 P CA -1.196 61.008 63.100 -1.493 0.000 0.771 212 P CB 0.870 32.104 31.700 -0.776 0.000 0.864 213 P HA 0.151 nan 4.420 nan 0.000 0.276 213 P C 0.971 178.342 177.300 0.118 0.000 1.261 213 P CA -0.436 62.597 63.100 -0.111 0.000 0.800 213 P CB 1.163 32.834 31.700 -0.049 0.000 1.066 214 K N 0.312 120.798 120.400 0.143 0.000 2.032 214 K HA -0.106 4.213 4.320 -0.000 0.000 0.209 214 K C 0.128 176.890 176.600 0.269 0.000 1.048 214 K CA 1.308 57.711 56.287 0.193 0.000 0.927 214 K CB -0.138 32.501 32.500 0.231 0.000 0.712 214 K HN 0.432 nan 8.250 nan 0.000 0.441 215 F N -0.757 119.296 119.950 0.172 0.000 2.565 215 F HA 0.536 5.063 4.527 -0.000 0.000 0.313 215 F C -0.216 175.759 175.800 0.292 0.000 1.091 215 F CA -0.262 57.860 58.000 0.204 0.000 0.915 215 F CB 2.194 41.268 39.000 0.124 0.000 1.208 215 F HN 0.068 nan 8.300 nan 0.000 0.453 216 G N 3.546 112.112 108.800 -0.390 0.000 2.682 216 G HA2 0.626 4.586 3.960 -0.000 0.000 0.303 216 G HA3 0.626 4.586 3.960 -0.000 0.000 0.303 216 G C -2.186 172.511 174.900 -0.338 0.000 1.341 216 G CA -1.057 43.941 45.100 -0.170 0.000 0.784 216 G HN 0.677 nan 8.290 nan 0.000 0.497 217 R N -1.064 119.401 120.500 -0.058 0.000 2.564 217 R HA 0.603 4.943 4.340 -0.000 0.000 0.284 217 R C 0.452 176.749 176.300 -0.004 0.000 1.031 217 R CA 0.118 56.210 56.100 -0.014 0.000 0.904 217 R CB 1.729 32.067 30.300 0.064 0.000 1.199 217 R HN 0.977 nan 8.270 nan 0.000 0.443 218 G N 0.290 109.089 108.800 -0.003 0.000 2.651 218 G HA2 0.054 4.013 3.960 -0.000 0.000 0.260 218 G HA3 0.054 4.013 3.960 -0.000 0.000 0.260 218 G C 0.416 175.268 174.900 -0.080 0.000 1.216 218 G CA -0.230 44.840 45.100 -0.049 0.000 0.913 218 G HN 0.624 nan 8.290 nan 0.000 0.535 219 T N 0.057 114.501 114.554 -0.183 0.000 2.833 219 T HA -0.090 4.259 4.350 -0.000 0.000 0.269 219 T C 1.144 175.637 174.700 -0.346 0.000 1.054 219 T CA 1.206 63.118 62.100 -0.312 0.000 1.135 219 T CB -0.189 68.394 68.868 -0.475 0.000 0.869 219 T HN 0.510 nan 8.240 nan 0.000 0.466 220 H N -0.228 118.850 119.070 0.013 0.000 2.503 220 H HA 0.440 4.995 4.556 -0.000 0.000 0.296 220 H C 1.667 177.015 175.328 0.034 0.000 1.097 220 H CA 0.038 56.099 56.048 0.022 0.000 1.055 220 H CB -0.124 29.650 29.762 0.020 0.000 1.580 220 H HN 0.464 nan 8.280 nan 0.000 0.546 221 G N 1.306 110.165 108.800 0.099 0.000 2.184 221 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.264 221 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.264 221 G C 0.074 175.030 174.900 0.094 0.000 0.975 221 G CA 0.024 45.182 45.100 0.097 0.000 0.642 221 G HN 0.404 nan 8.290 nan 0.000 0.536 222 E N 0.321 120.571 120.200 0.083 0.000 2.493 222 E HA 0.373 4.722 4.350 -0.000 0.000 0.255 222 E C 0.747 177.384 176.600 0.061 0.000 0.999 222 E CA -0.048 56.396 56.400 0.074 0.000 0.934 222 E CB 1.039 30.776 29.700 0.063 0.000 0.940 222 E HN 0.238 nan 8.360 nan 0.000 0.473 223 V N 5.123 125.080 119.914 0.072 0.000 2.572 223 V HA 0.006 4.125 4.120 -0.000 0.000 0.291 223 V C -0.220 175.904 176.094 0.050 0.000 1.039 223 V CA -0.256 62.067 62.300 0.037 0.000 1.055 223 V CB 0.244 32.151 31.823 0.140 0.000 0.969 223 V HN 0.646 nan 8.190 nan 0.000 0.482 224 W N 6.057 127.193 121.300 -0.273 0.000 2.429 224 W HA 0.466 5.125 4.660 -0.000 0.000 0.314 224 W C -0.962 175.449 176.519 -0.179 0.000 1.062 224 W CA -0.723 56.557 57.345 -0.109 0.000 1.211 224 W CB 1.595 31.002 29.460 -0.090 0.000 1.305 224 W HN 0.471 nan 8.180 nan 0.000 0.476 225 Q N 6.194 125.528 119.800 -0.776 0.000 2.292 225 Q HA 0.099 4.439 4.340 -0.000 0.000 0.270 225 Q C 0.772 176.084 176.000 -1.147 0.000 1.024 225 Q CA -0.439 54.927 55.803 -0.728 0.000 0.768 225 Q CB 2.877 31.355 28.738 -0.433 0.000 1.250 225 Q HN 0.788 nan 8.270 nan 0.000 0.447 226 L N 2.338 123.074 121.223 -0.812 0.000 2.012 226 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 226 L C 1.283 177.740 176.870 -0.689 0.000 1.073 226 L CA 1.795 56.218 54.840 -0.695 0.000 0.748 226 L CB -0.035 41.771 42.059 -0.421 0.000 0.891 226 L HN 0.556 nan 8.230 nan 0.000 0.431 227 F N -0.233 119.515 119.950 -0.336 0.000 2.502 227 F HA -0.127 4.399 4.527 -0.000 0.000 0.298 227 F C 1.977 177.584 175.800 -0.321 0.000 1.111 227 F CA 0.794 58.645 58.000 -0.250 0.000 1.445 227 F CB -0.256 38.645 39.000 -0.164 0.000 1.081 227 F HN 0.205 nan 8.300 nan 0.000 0.558 228 D N -2.072 118.065 120.400 -0.439 0.000 2.324 228 D HA 0.001 4.641 4.640 -0.000 0.000 0.212 228 D C 1.541 177.431 176.300 -0.684 0.000 0.984 228 D CA 1.145 54.789 54.000 -0.594 0.000 0.885 228 D CB -0.152 40.073 40.800 -0.958 0.000 0.996 228 D HN 0.397 nan 8.370 nan 0.000 0.505 229 H N -0.918 117.753 119.070 -0.665 0.000 3.017 229 H HA 0.169 4.725 4.556 -0.000 0.000 0.255 229 H C 1.620 176.755 175.328 -0.322 0.000 0.990 229 H CA -0.322 55.292 56.048 -0.724 0.000 1.205 229 H CB 0.914 30.000 29.762 -1.127 0.000 1.460 229 H HN -0.119 nan 8.280 nan 0.000 0.478 230 L N 2.428 123.519 121.223 -0.221 0.000 2.043 230 L HA -0.096 4.244 4.340 -0.000 0.000 0.212 230 L C -0.964 175.955 176.870 0.082 0.000 1.075 230 L CA 1.875 56.745 54.840 0.050 0.000 0.752 230 L CB -0.785 41.241 42.059 -0.055 0.000 0.891 230 L HN 0.117 nan 8.230 nan 0.000 0.432 231 P HA -0.137 nan 4.420 nan 0.000 0.215 231 P C 0.863 178.231 177.300 0.112 0.000 1.153 231 P CA 0.857 63.997 63.100 0.066 0.000 0.853 231 P CB -0.118 31.619 31.700 0.062 0.000 0.788 235 D N 1.274 121.692 120.400 0.030 0.000 2.097 235 D HA -0.103 4.537 4.640 -0.000 0.000 0.195 235 D C 2.073 178.376 176.300 0.005 0.000 0.989 235 D CA 1.700 55.705 54.000 0.008 0.000 0.827 235 D CB 0.180 40.997 40.800 0.028 0.000 0.966 235 D HN 0.306 nan 8.370 nan 0.000 0.456 236 I N -0.116 120.473 120.570 0.031 0.000 2.226 236 I HA -0.302 3.868 4.170 -0.000 0.000 0.245 236 I C 2.365 178.487 176.117 0.009 0.000 1.100 236 I CA 0.487 61.800 61.300 0.021 0.000 1.374 236 I CB -0.230 37.792 38.000 0.037 0.000 1.057 236 I HN 0.196 nan 8.210 nan 0.000 0.413 237 C N 0.453 119.761 119.300 0.015 0.000 2.398 237 C HA -0.228 4.232 4.460 -0.000 0.000 0.276 237 C C 3.007 177.990 174.990 -0.012 0.000 1.222 237 C CA 1.355 60.377 59.018 0.007 0.000 1.746 237 C CB -1.261 26.485 27.740 0.010 0.000 2.039 237 C HN 0.482 nan 8.230 nan 0.000 0.470 238 R N 0.914 121.384 120.500 -0.050 0.000 2.091 238 R HA -0.147 4.193 4.340 -0.000 0.000 0.238 238 R C 1.986 178.244 176.300 -0.069 0.000 1.136 238 R CA 1.652 57.689 56.100 -0.105 0.000 0.959 238 R CB -0.290 29.922 30.300 -0.145 0.000 0.856 238 R HN 0.474 nan 8.270 nan 0.000 0.437 239 E N 0.655 120.832 120.200 -0.039 0.000 2.333 239 E HA -0.156 4.193 4.350 -0.000 0.000 0.198 239 E C 1.630 178.228 176.600 -0.003 0.000 1.007 239 E CA 1.214 57.599 56.400 -0.025 0.000 0.845 239 E CB -0.026 29.663 29.700 -0.019 0.000 0.766 239 E HN 0.693 nan 8.360 nan 0.000 0.507 240 I N -2.444 118.141 120.570 0.025 0.000 3.914 240 I HA 0.214 4.384 4.170 -0.000 0.000 0.333 240 I C 0.177 176.373 176.117 0.132 0.000 1.449 240 I CA -0.329 61.021 61.300 0.083 0.000 1.135 240 I CB 0.051 38.135 38.000 0.140 0.000 1.073 240 I HN -0.229 nan 8.210 nan 0.000 0.401 241 L N 2.470 123.735 121.223 0.070 0.000 2.349 241 L HA 0.314 4.653 4.340 -0.000 0.000 0.275 241 L C 1.017 177.927 176.870 0.068 0.000 1.115 241 L CA -0.350 54.543 54.840 0.089 0.000 0.820 241 L CB 1.255 43.333 42.059 0.032 0.000 1.135 241 L HN 0.432 nan 8.230 nan 0.000 0.445 242 S N 2.555 118.309 115.700 0.090 0.000 2.576 242 S HA 0.162 4.632 4.470 -0.000 0.000 0.272 242 S C -1.739 172.904 174.600 0.072 0.000 1.352 242 S CA -1.004 57.231 58.200 0.060 0.000 1.021 242 S CB 0.676 63.909 63.200 0.055 0.000 0.887 242 S HN 0.451 nan 8.310 nan 0.000 0.542 243 P HA -0.061 nan 4.420 nan 0.000 0.218 243 P C 0.379 177.735 177.300 0.094 0.000 1.148 243 P CA 1.332 64.469 63.100 0.062 0.000 0.822 243 P CB 0.011 31.734 31.700 0.039 0.000 0.784 244 K N -0.768 119.685 120.400 0.088 0.000 2.570 244 K HA 0.375 4.695 4.320 -0.000 0.000 0.210 244 K C 0.314 176.993 176.600 0.132 0.000 1.048 244 K CA -0.484 55.861 56.287 0.096 0.000 1.167 244 K CB 0.229 32.765 32.500 0.060 0.000 0.892 244 K HN 0.042 nan 8.250 nan 0.000 0.480 245 A N 0.849 123.784 122.820 0.191 0.000 2.531 245 A HA 0.043 4.363 4.320 -0.000 0.000 0.236 245 A C 0.893 178.642 177.584 0.275 0.000 1.062 245 A CA 0.162 52.355 52.037 0.258 0.000 0.760 245 A CB 0.170 19.371 19.000 0.335 0.000 0.995 245 A HN 0.447 nan 8.150 nan 0.000 0.501 246 L N 1.469 122.839 121.223 0.244 0.000 2.556 246 L HA 0.377 4.717 4.340 -0.000 0.000 0.226 246 L C 1.127 178.197 176.870 0.333 0.000 1.089 246 L CA 0.770 55.729 54.840 0.199 0.000 0.864 246 L CB 0.142 42.261 42.059 0.100 0.000 1.067 246 L HN 0.919 nan 8.230 nan 0.000 0.477 247 G N 0.156 109.234 108.800 0.462 0.000 2.442 247 G HA2 0.424 4.383 3.960 -0.000 0.000 0.296 247 G HA3 0.424 4.383 3.960 -0.000 0.000 0.296 247 G C -2.472 172.699 174.900 0.452 0.000 1.564 247 G CA -0.539 44.859 45.100 0.497 0.000 0.828 247 G HN -0.202 nan 8.290 nan 0.000 0.571 248 L N 1.248 122.708 121.223 0.396 0.000 2.376 248 L HA 0.842 5.181 4.340 -0.000 0.000 0.275 248 L C -1.080 175.842 176.870 0.087 0.000 0.987 248 L CA -0.953 54.025 54.840 0.231 0.000 0.828 248 L CB 1.967 44.155 42.059 0.215 0.000 1.249 248 L HN 0.462 nan 8.230 nan 0.000 0.409 249 V N 6.034 125.947 119.914 -0.002 0.000 2.444 249 V HA 0.497 4.617 4.120 -0.000 0.000 0.294 249 V C -0.605 175.438 176.094 -0.084 0.000 1.022 249 V CA -0.552 61.678 62.300 -0.118 0.000 0.850 249 V CB 1.577 33.248 31.823 -0.252 0.000 0.992 249 V HN 0.718 nan 8.190 nan 0.000 0.426 250 L N 5.900 127.082 121.223 -0.068 0.000 2.307 250 L HA 0.883 5.223 4.340 -0.000 0.000 0.284 250 L C 0.239 177.060 176.870 -0.082 0.000 1.023 250 L CA 0.403 55.209 54.840 -0.056 0.000 0.810 250 L CB 1.969 44.013 42.059 -0.024 0.000 1.231 250 L HN 0.831 nan 8.230 nan 0.000 0.423 251 T N 2.414 116.910 114.554 -0.098 0.000 2.863 251 T HA 0.930 5.280 4.350 -0.000 0.000 0.285 251 T C -0.520 174.136 174.700 -0.074 0.000 1.009 251 T CA -0.358 61.692 62.100 -0.085 0.000 0.989 251 T CB 1.721 70.534 68.868 -0.092 0.000 1.004 251 T HN 1.014 nan 8.240 nan 0.000 0.455 252 A N 2.357 125.115 122.820 -0.102 0.000 2.402 252 A HA 0.675 4.994 4.320 -0.000 0.000 0.291 252 A C -1.577 175.915 177.584 -0.153 0.000 1.051 252 A CA -0.878 51.107 52.037 -0.087 0.000 0.716 252 A CB 0.865 19.815 19.000 -0.084 0.000 1.223 252 A HN 0.835 nan 8.150 nan 0.000 0.425 253 Y N 1.613 121.847 120.300 -0.111 0.000 2.360 253 Y HA 0.418 4.968 4.550 -0.000 0.000 0.337 253 Y C 1.335 177.238 175.900 0.004 0.000 1.039 253 Y CA 0.686 58.744 58.100 -0.071 0.000 1.109 253 Y CB 1.955 40.312 38.460 -0.172 0.000 1.201 253 Y HN 1.460 nan 8.280 nan 0.000 0.458 254 S N 1.198 117.009 115.700 0.185 0.000 3.698 254 S HA -0.238 4.232 4.470 -0.000 0.000 0.338 254 S C -0.699 173.998 174.600 0.161 0.000 1.089 254 S CA 0.405 58.712 58.200 0.179 0.000 0.991 254 S CB -2.157 61.167 63.200 0.206 0.000 0.909 254 S HN 0.622 nan 8.310 nan 0.000 0.485 255 I N 0.714 121.378 120.570 0.157 0.000 2.603 255 I HA 0.511 4.681 4.170 -0.000 0.000 0.300 255 I C 0.685 176.920 176.117 0.196 0.000 1.017 255 I CA -1.065 60.372 61.300 0.228 0.000 1.098 255 I CB 1.649 39.801 38.000 0.254 0.000 1.279 255 I HN 0.352 nan 8.210 nan 0.000 0.437 256 R N 5.509 126.110 120.500 0.168 0.000 2.870 256 R HA 0.672 5.012 4.340 -0.000 0.000 0.254 256 R C -1.381 174.956 176.300 0.063 0.000 1.392 256 R CA -0.023 56.105 56.100 0.047 0.000 1.322 256 R CB 0.043 30.306 30.300 -0.062 0.000 1.205 256 R HN 0.671 nan 8.270 nan 0.000 0.597 257 A N 1.480 124.377 122.820 0.129 0.000 2.583 257 A HA 0.217 4.537 4.320 -0.000 0.000 0.298 257 A C -0.903 176.723 177.584 0.071 0.000 1.055 257 A CA -0.657 51.462 52.037 0.137 0.000 0.714 257 A CB 1.483 20.679 19.000 0.326 0.000 1.277 257 A HN 0.433 nan 8.150 nan 0.000 0.406 258 S N 0.244 115.945 115.700 0.002 0.000 2.585 258 S HA 0.444 4.914 4.470 -0.000 0.000 0.273 258 S C 1.255 175.778 174.600 -0.129 0.000 1.339 258 S CA 0.220 58.346 58.200 -0.123 0.000 1.028 258 S CB -0.161 62.916 63.200 -0.205 0.000 0.906 258 S HN 1.483 nan 8.310 nan 0.000 0.528 259 F N 2.713 122.633 119.950 -0.050 0.000 2.236 259 F HA -0.065 4.462 4.527 -0.000 0.000 0.302 259 F C 1.432 177.152 175.800 -0.134 0.000 1.073 259 F CA 0.887 58.790 58.000 -0.161 0.000 1.336 259 F CB -0.903 37.911 39.000 -0.311 0.000 1.040 259 F HN 0.600 nan 8.300 nan 0.000 0.507 260 Y N 1.351 121.313 120.300 -0.562 0.000 2.274 260 Y HA -0.113 4.437 4.550 -0.000 0.000 0.290 260 Y C 2.387 178.273 175.900 -0.023 0.000 1.145 260 Y CA 0.846 58.812 58.100 -0.222 0.000 1.203 260 Y CB -1.029 37.225 38.460 -0.344 0.000 0.984 260 Y HN 0.274 nan 8.280 nan 0.000 0.533 264 E N 1.271 121.493 120.200 0.036 0.000 2.150 264 E HA -0.022 4.327 4.350 -0.000 0.000 0.193 264 E C 0.912 177.480 176.600 -0.054 0.000 0.985 264 E CA 0.540 56.922 56.400 -0.031 0.000 0.814 264 E CB -0.176 29.563 29.700 0.065 0.000 0.752 264 E HN 0.292 nan 8.360 nan 0.000 0.466 268 E N 1.686 121.843 120.200 -0.071 0.000 2.072 268 E HA 0.007 4.356 4.350 -0.000 0.000 0.191 268 E C 0.277 176.843 176.600 -0.056 0.000 0.985 268 E CA 1.456 57.827 56.400 -0.049 0.000 0.801 268 E CB -0.153 29.527 29.700 -0.033 0.000 0.750 268 E HN 0.171 nan 8.360 nan 0.000 0.452 272 G N 1.862 110.657 108.800 -0.008 0.000 2.205 272 G HA2 -0.360 3.599 3.960 -0.000 0.000 0.261 272 G HA3 -0.360 3.599 3.960 -0.000 0.000 0.261 272 G C 0.617 175.521 174.900 0.008 0.000 0.980 272 G CA 0.516 45.616 45.100 0.000 0.000 0.632 272 G HN 0.945 nan 8.290 nan 0.000 0.533 273 A N 0.281 123.097 122.820 -0.007 0.000 2.251 273 A HA 0.597 4.916 4.320 -0.000 0.000 0.209 273 A C 2.394 180.095 177.584 0.196 0.000 1.187 273 A CA 1.685 53.728 52.037 0.010 0.000 0.823 273 A CB -0.565 18.302 19.000 -0.222 0.000 0.846 273 A HN 2.602 nan 8.150 nan 0.000 0.486 274 G N -1.340 107.574 108.800 0.189 0.000 2.645 274 G HA2 0.267 4.227 3.960 -0.000 0.000 0.246 274 G HA3 0.267 4.227 3.960 -0.000 0.000 0.246 274 G C 1.178 176.299 174.900 0.369 0.000 1.322 274 G CA 0.307 45.540 45.100 0.221 0.000 0.898 274 G HN 2.418 nan 8.290 nan 0.000 0.573 275 G N -2.510 106.408 108.800 0.196 0.000 2.562 275 G HA2 0.305 4.265 3.960 -0.000 0.000 0.250 275 G HA3 0.305 4.265 3.960 -0.000 0.000 0.250 275 G C 0.479 175.354 174.900 -0.041 0.000 1.269 275 G CA 1.339 46.445 45.100 0.009 0.000 0.919 275 G HN 2.410 nan 8.290 nan 0.000 0.574 276 V N -1.027 118.743 119.914 -0.241 0.000 2.932 276 V HA 0.656 4.776 4.120 -0.000 0.000 0.307 276 V C -0.546 175.456 176.094 -0.154 0.000 1.147 276 V CA -0.238 61.949 62.300 -0.189 0.000 0.951 276 V CB 2.071 33.721 31.823 -0.288 0.000 1.031 276 V HN 1.364 nan 8.190 nan 0.000 0.426 277 V N 5.878 125.778 119.914 -0.024 0.000 2.384 277 V HA 0.849 4.969 4.120 -0.000 0.000 0.287 277 V C 0.369 176.525 176.094 0.103 0.000 1.020 277 V CA -0.001 62.339 62.300 0.067 0.000 0.850 277 V CB 1.347 33.210 31.823 0.066 0.000 0.987 277 V HN 1.159 nan 8.190 nan 0.000 0.436 278 A N 4.142 127.014 122.820 0.088 0.000 2.318 278 A HA 0.915 5.235 4.320 -0.000 0.000 0.324 278 A C -0.093 177.484 177.584 -0.011 0.000 1.170 278 A CA -0.367 51.735 52.037 0.108 0.000 0.810 278 A CB 1.191 20.304 19.000 0.188 0.000 1.198 278 A HN 0.756 nan 8.150 nan 0.000 0.484 279 S N 0.040 115.581 115.700 -0.265 0.000 2.618 279 S HA 0.972 5.442 4.470 -0.000 0.000 0.277 279 S C 0.179 174.122 174.600 -1.095 0.000 1.138 279 S CA -0.067 57.671 58.200 -0.770 0.000 0.844 279 S CB 2.084 65.150 63.200 -0.224 0.000 1.127 279 S HN 2.037 nan 8.310 nan 0.000 0.474 280 G N 0.755 108.667 108.800 -1.479 0.000 2.455 280 G HA2 0.378 4.338 3.960 -0.000 0.000 0.223 280 G HA3 0.378 4.338 3.960 -0.000 0.000 0.223 280 G C -2.184 172.349 174.900 -0.612 0.000 1.226 280 G CA -0.713 43.613 45.100 -1.289 0.000 0.948 280 G HN 0.598 nan 8.290 nan 0.000 0.478 281 E N -0.591 119.477 120.200 -0.221 0.000 2.227 281 E HA 0.568 4.918 4.350 -0.000 0.000 0.268 281 E C -1.310 175.395 176.600 0.176 0.000 0.907 281 E CA -0.816 55.614 56.400 0.050 0.000 0.786 281 E CB 2.868 32.570 29.700 0.004 0.000 1.191 281 E HN 0.383 nan 8.360 nan 0.000 0.411 282 L N 3.695 124.986 121.223 0.114 0.000 2.272 282 L HA 0.404 4.743 4.340 -0.000 0.000 0.289 282 L C -0.884 175.972 176.870 -0.024 0.000 1.032 282 L CA -0.563 54.251 54.840 -0.043 0.000 0.810 282 L CB 1.206 43.199 42.059 -0.109 0.000 1.205 282 L HN 0.387 nan 8.230 nan 0.000 0.422 283 V N 3.252 123.150 119.914 -0.026 0.000 3.001 283 V HA 0.676 4.796 4.120 -0.000 0.000 0.314 283 V C -0.411 175.708 176.094 0.042 0.000 1.099 283 V CA -0.774 61.543 62.300 0.029 0.000 0.989 283 V CB 1.989 33.829 31.823 0.030 0.000 1.040 283 V HN 0.667 nan 8.190 nan 0.000 0.434 284 I N 2.585 123.218 120.570 0.105 0.000 2.441 284 I HA 0.602 4.772 4.170 -0.000 0.000 0.295 284 I C 0.107 176.291 176.117 0.111 0.000 0.994 284 I CA -0.628 60.757 61.300 0.142 0.000 1.144 284 I CB 1.825 39.980 38.000 0.259 0.000 1.314 284 I HN 0.720 nan 8.210 nan 0.000 0.445 285 R N 5.014 125.558 120.500 0.074 0.000 2.346 285 R HA 0.306 4.646 4.340 -0.000 0.000 0.311 285 R C -0.392 175.932 176.300 0.041 0.000 0.983 285 R CA -0.572 55.550 56.100 0.037 0.000 0.880 285 R CB 0.979 31.279 30.300 0.000 0.000 1.100 285 R HN 0.580 nan 8.270 nan 0.000 0.453 286 E N 1.922 122.146 120.200 0.040 0.000 2.534 286 E HA -0.106 4.244 4.350 -0.000 0.000 0.264 286 E C 0.142 176.743 176.600 0.003 0.000 0.981 286 E CA 0.556 56.980 56.400 0.040 0.000 0.948 286 E CB 0.782 30.512 29.700 0.050 0.000 0.934 286 E HN 0.723 nan 8.360 nan 0.000 0.459 287 A N 3.136 125.955 122.820 -0.002 0.000 2.382 287 A HA 0.389 4.709 4.320 -0.000 0.000 0.228 287 A C 0.960 178.513 177.584 -0.052 0.000 1.217 287 A CA 0.625 52.629 52.037 -0.055 0.000 0.923 287 A CB 0.050 18.966 19.000 -0.140 0.000 0.979 287 A HN 0.863 nan 8.150 nan 0.000 0.515 288 G N -0.319 108.484 108.800 0.006 0.000 2.645 288 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.246 288 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.246 288 G C 0.676 175.584 174.900 0.012 0.000 1.322 288 G CA -0.013 45.094 45.100 0.012 0.000 0.898 288 G HN 0.571 nan 8.290 nan 0.000 0.573 289 L N 0.538 121.766 121.223 0.008 0.000 2.201 289 L HA 0.100 4.440 4.340 -0.000 0.000 0.212 289 L C 2.159 179.018 176.870 -0.017 0.000 1.105 289 L CA 2.128 56.978 54.840 0.016 0.000 0.775 289 L CB -0.367 41.702 42.059 0.017 0.000 0.913 289 L HN 0.711 nan 8.230 nan 0.000 0.440 290 D N -2.023 118.330 120.400 -0.078 0.000 2.433 290 D HA 0.163 4.803 4.640 -0.000 0.000 0.211 290 D C 1.369 177.521 176.300 -0.246 0.000 1.114 290 D CA 0.447 54.375 54.000 -0.119 0.000 0.837 290 D CB 0.363 41.118 40.800 -0.075 0.000 0.984 290 D HN 0.101 nan 8.370 nan 0.000 0.505 291 G N 0.686 109.241 108.800 -0.409 0.000 2.155 291 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.257 291 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.257 291 G C 0.942 175.698 174.900 -0.241 0.000 0.983 291 G CA 0.606 45.398 45.100 -0.514 0.000 0.676 291 G HN 0.437 nan 8.290 nan 0.000 0.528 292 K N -0.395 119.908 120.400 -0.161 0.000 2.450 292 K HA 0.164 4.484 4.320 -0.000 0.000 0.206 292 K C 0.871 177.431 176.600 -0.067 0.000 1.148 292 K CA 0.780 57.008 56.287 -0.099 0.000 1.014 292 K CB 0.872 33.323 32.500 -0.082 0.000 0.966 292 K HN 0.499 nan 8.250 nan 0.000 0.566 293 T N 1.188 115.706 114.554 -0.059 0.000 2.758 293 T HA 0.355 4.705 4.350 -0.000 0.000 0.285 293 T C -2.762 171.913 174.700 -0.041 0.000 0.981 293 T CA -2.408 59.668 62.100 -0.040 0.000 0.965 293 T CB 1.425 70.278 68.868 -0.025 0.000 0.927 293 T HN -0.178 nan 8.240 nan 0.000 0.448 294 P HA 0.279 nan 4.420 nan 0.000 0.263 294 P C 0.376 177.652 177.300 -0.040 0.000 1.195 294 P CA 0.270 63.347 63.100 -0.038 0.000 0.762 294 P CB 0.806 32.484 31.700 -0.037 0.000 0.799 295 G N 3.585 112.358 108.800 -0.045 0.000 3.302 295 G HA2 0.462 4.421 3.960 -0.000 0.000 0.170 295 G HA3 0.462 4.421 3.960 -0.000 0.000 0.170 295 G C -0.497 174.336 174.900 -0.112 0.000 1.119 295 G CA -0.619 44.443 45.100 -0.063 0.000 0.826 295 G HN 0.296 nan 8.290 nan 0.000 0.646 296 R N -1.087 119.304 120.500 -0.181 0.000 2.560 296 R HA 0.525 4.864 4.340 -0.000 0.000 0.270 296 R C -0.291 175.887 176.300 -0.204 0.000 1.074 296 R CA -0.262 55.641 56.100 -0.329 0.000 1.140 296 R CB 1.336 31.178 30.300 -0.764 0.000 1.073 296 R HN 0.162 nan 8.270 nan 0.000 0.527 297 V N 3.311 123.100 119.914 -0.208 0.000 2.432 297 V HA 0.226 4.346 4.120 -0.000 0.000 0.275 297 V C -0.654 175.466 176.094 0.043 0.000 1.043 297 V CA -0.569 61.697 62.300 -0.057 0.000 0.925 297 V CB 1.252 33.051 31.823 -0.040 0.000 0.985 297 V HN 0.406 nan 8.190 nan 0.000 0.466 298 L N 5.566 126.890 121.223 0.169 0.000 2.295 298 L HA 0.506 4.846 4.340 -0.000 0.000 0.281 298 L C 0.263 177.261 176.870 0.213 0.000 1.018 298 L CA 0.461 55.482 54.840 0.302 0.000 0.841 298 L CB 1.435 43.711 42.059 0.362 0.000 1.218 298 L HN 0.643 nan 8.230 nan 0.000 0.424 299 S N 1.998 117.816 115.700 0.196 0.000 2.523 299 S HA 0.310 4.780 4.470 -0.000 0.000 0.275 299 S C 1.222 175.901 174.600 0.133 0.000 1.281 299 S CA 0.222 58.502 58.200 0.133 0.000 1.050 299 S CB 0.617 63.889 63.200 0.119 0.000 0.937 299 S HN 0.850 nan 8.310 nan 0.000 0.492 300 T N 1.072 115.676 114.554 0.084 0.000 3.034 300 T HA 0.337 4.687 4.350 -0.000 0.000 0.248 300 T C 0.479 175.073 174.700 -0.176 0.000 1.040 300 T CA 0.495 62.643 62.100 0.080 0.000 1.107 300 T CB -0.221 68.747 68.868 0.167 0.000 0.932 300 T HN 0.848 nan 8.240 nan 0.000 0.474 301 S N -0.063 115.480 115.700 -0.260 0.000 2.615 301 S HA 0.633 5.102 4.470 -0.000 0.000 0.268 301 S C -1.474 173.020 174.600 -0.177 0.000 1.146 301 S CA -1.298 56.598 58.200 -0.506 0.000 0.818 301 S CB 0.869 63.308 63.200 -1.269 0.000 1.111 301 S HN 0.319 nan 8.310 nan 0.000 0.465 302 L N 1.245 122.386 121.223 -0.137 0.000 2.352 302 L HA 0.903 5.243 4.340 -0.000 0.000 0.269 302 L C -0.634 176.289 176.870 0.088 0.000 1.034 302 L CA -0.955 53.889 54.840 0.006 0.000 0.806 302 L CB 1.025 43.087 42.059 0.005 0.000 1.244 302 L HN 0.865 nan 8.230 nan 0.000 0.447 303 F N -0.825 119.095 119.950 -0.049 0.000 2.631 303 F HA 0.770 5.297 4.527 -0.000 0.000 0.308 303 F C -0.790 174.994 175.800 -0.026 0.000 1.097 303 F CA -0.850 57.114 58.000 -0.059 0.000 0.952 303 F CB 1.883 40.889 39.000 0.011 0.000 1.307 303 F HN 0.324 nan 8.300 nan 0.000 0.450 304 S N 1.943 117.617 115.700 -0.043 0.000 2.572 304 S HA 0.642 5.111 4.470 -0.000 0.000 0.274 304 S C -1.669 172.972 174.600 0.067 0.000 1.150 304 S CA -0.684 57.472 58.200 -0.074 0.000 0.944 304 S CB 1.338 64.514 63.200 -0.040 0.000 1.071 304 S HN 1.059 nan 8.310 nan 0.000 0.479 305 R N 3.541 124.098 120.500 0.095 0.000 2.502 305 R HA 0.412 4.752 4.340 -0.000 0.000 0.300 305 R C -1.758 174.574 176.300 0.053 0.000 0.984 305 R CA -0.646 55.464 56.100 0.016 0.000 0.882 305 R CB 0.929 31.160 30.300 -0.114 0.000 1.180 305 R HN 0.684 nan 8.270 nan 0.000 0.444 306 W N 4.649 125.913 121.300 -0.060 0.000 2.365 306 W HA 0.338 4.998 4.660 -0.000 0.000 0.316 306 W C -0.939 175.586 176.519 0.011 0.000 1.164 306 W CA -0.060 57.271 57.345 -0.024 0.000 1.204 306 W CB 1.054 30.505 29.460 -0.015 0.000 1.213 306 W HN 0.565 nan 8.180 nan 0.000 0.539 307 E N 6.281 125.817 120.200 -1.108 0.000 2.383 307 E HA 0.171 4.521 4.350 -0.000 0.000 0.275 307 E C -1.919 173.781 176.600 -1.499 0.000 0.918 307 E CA -1.892 53.868 56.400 -1.066 0.000 0.764 307 E CB 2.888 32.385 29.700 -0.338 0.000 1.252 307 E HN 0.212 nan 8.360 nan 0.000 0.449 308 P HA -0.096 nan 4.420 nan 0.000 0.233 308 P C -0.231 176.917 177.300 -0.253 0.000 1.167 308 P CA 0.573 63.362 63.100 -0.518 0.000 0.770 308 P CB 0.453 32.061 31.700 -0.153 0.000 0.837 309 K N 0.000 120.258 120.400 -0.236 0.000 2.780 309 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 309 K CA 0.000 56.226 56.287 -0.102 0.000 0.838 309 K CB 0.000 32.452 32.500 -0.080 0.000 1.064 309 K HN 0.000 nan 8.250 nan 0.000 0.543