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 2yzm_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRVLLIAGGV SPEHEVSLLS AEGVLRHIPF PTDLAVIAQD GRWLLGEKAL DATA SEQUENCE TALEAKAAPE GEHPFPPPLS WERYDVVFPL LHGRFGEDGT VQGFLELLGK DATA SEQUENCE PYVGAGVAAS ALCMDKDLSK RVLAQAGVPV VPWVAVRKGE PPVVPFDPPF DATA SEQUENCE FVKPANTGSS VGISRVERFQ DLEAALALAF RYDEKAVVEK ALSPVRELEV DATA SEQUENCE GVLGNVFGEA SPVGEVRYEA PFYDYETKYT PGRAELLIPA PLDPGTQETV DATA SEQUENCE QELALKAYKV LGVRGMARVD FFLAEGELYL NELNTIPGFT PTSMYPRLFE DATA SEQUENCE AGGVAYPELL RRLVELALT 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.298 176.300 -0.004 0.000 1.140 1 M CA 0.000 55.280 55.300 -0.033 0.000 0.988 1 M CB 0.000 32.529 32.600 -0.118 0.000 1.302 2 R N 2.381 122.873 120.500 -0.013 0.000 2.562 2 R HA 0.890 5.230 4.340 -0.000 0.000 0.298 2 R C -1.508 174.888 176.300 0.160 0.000 0.961 2 R CA -0.545 55.595 56.100 0.066 0.000 0.881 2 R CB 2.041 32.332 30.300 -0.015 0.000 1.159 2 R HN 0.492 nan 8.270 nan 0.000 0.450 3 V N 4.959 125.008 119.914 0.225 0.000 2.555 3 V HA 0.396 4.516 4.120 -0.000 0.000 0.302 3 V C -0.817 175.385 176.094 0.179 0.000 1.038 3 V CA -0.943 61.478 62.300 0.201 0.000 0.887 3 V CB 1.721 33.619 31.823 0.125 0.000 0.991 3 V HN 0.579 nan 8.190 nan 0.000 0.434 4 L N 5.631 126.837 121.223 -0.029 0.000 2.280 4 L HA 0.639 4.979 4.340 -0.000 0.000 0.287 4 L C -0.840 175.970 176.870 -0.100 0.000 1.023 4 L CA -0.213 54.396 54.840 -0.384 0.000 0.819 4 L CB 1.223 42.787 42.059 -0.825 0.000 1.212 4 L HN 0.610 nan 8.230 nan 0.000 0.420 5 L N 6.742 127.904 121.223 -0.102 0.000 2.289 5 L HA 0.596 4.935 4.340 -0.000 0.000 0.285 5 L C -0.808 176.011 176.870 -0.085 0.000 1.049 5 L CA 0.053 54.837 54.840 -0.094 0.000 0.804 5 L CB 0.964 42.926 42.059 -0.162 0.000 1.195 5 L HN 0.559 nan 8.230 nan 0.000 0.428 6 I N 5.356 125.894 120.570 -0.053 0.000 2.389 6 I HA 0.744 4.914 4.170 -0.000 0.000 0.288 6 I C -0.207 175.827 176.117 -0.137 0.000 0.999 6 I CA -0.440 60.826 61.300 -0.057 0.000 1.129 6 I CB 1.574 39.609 38.000 0.059 0.000 1.288 6 I HN 0.794 nan 8.210 nan 0.000 0.444 7 A N 4.040 126.748 122.820 -0.187 0.000 2.569 7 A HA 0.990 5.310 4.320 -0.000 0.000 0.290 7 A C 0.135 177.572 177.584 -0.245 0.000 1.136 7 A CA 0.024 51.931 52.037 -0.216 0.000 0.710 7 A CB 1.522 20.398 19.000 -0.206 0.000 1.303 7 A HN 1.059 nan 8.150 nan 0.000 0.413 8 G N -0.629 108.004 108.800 -0.279 0.000 2.936 8 G HA2 0.559 4.519 3.960 -0.000 0.000 0.237 8 G HA3 0.559 4.519 3.960 -0.000 0.000 0.237 8 G C 1.375 176.237 174.900 -0.064 0.000 1.403 8 G CA 1.012 45.904 45.100 -0.346 0.000 1.011 8 G HN 3.167 nan 8.290 nan 0.000 0.568 9 G N -2.572 106.272 108.800 0.073 0.000 2.663 9 G HA2 0.321 4.281 3.960 -0.000 0.000 0.686 9 G HA3 0.321 4.281 3.960 -0.000 0.000 0.686 9 G C 0.905 175.896 174.900 0.151 0.000 1.288 9 G CA 1.321 46.465 45.100 0.073 0.000 0.836 9 G HN 2.294 nan 8.290 nan 0.000 0.584 10 V N -1.537 118.434 119.914 0.094 0.000 3.541 10 V HA 0.439 4.559 4.120 -0.000 0.000 0.267 10 V C 1.729 177.837 176.094 0.023 0.000 1.213 10 V CA 1.582 63.910 62.300 0.047 0.000 1.149 10 V CB -0.505 31.359 31.823 0.067 0.000 0.822 10 V HN 2.139 nan 8.190 nan 0.000 0.462 11 S N 1.003 116.727 115.700 0.040 0.000 2.596 11 S HA 0.326 4.796 4.470 -0.000 0.000 0.260 11 S C -1.247 173.390 174.600 0.062 0.000 1.336 11 S CA -0.301 57.914 58.200 0.026 0.000 0.993 11 S CB 0.398 63.619 63.200 0.035 0.000 0.923 11 S HN 0.271 nan 8.310 nan 0.000 0.567 12 P HA 0.052 nan 4.420 nan 0.000 0.230 12 P C 0.337 177.686 177.300 0.083 0.000 1.158 12 P CA 0.857 63.989 63.100 0.053 0.000 0.769 12 P CB -0.036 31.680 31.700 0.027 0.000 0.807 13 E N -1.868 118.396 120.200 0.106 0.000 2.403 13 E HA -0.060 4.290 4.350 -0.000 0.000 0.188 13 E C 1.451 178.152 176.600 0.169 0.000 1.056 13 E CA -0.197 56.286 56.400 0.138 0.000 0.892 13 E CB -0.416 29.389 29.700 0.175 0.000 1.049 13 E HN 0.435 nan 8.360 nan 0.000 0.465 14 H N 1.967 121.069 119.070 0.054 0.000 2.289 14 H HA -0.189 4.367 4.556 -0.000 0.000 0.296 14 H C 1.386 176.734 175.328 0.033 0.000 1.091 14 H CA 1.968 58.032 56.048 0.026 0.000 1.274 14 H CB 0.475 30.240 29.762 0.005 0.000 1.364 14 H HN 0.288 nan 8.280 nan 0.000 0.490 15 E N -0.130 120.124 120.200 0.091 0.000 2.051 15 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 15 E C 2.409 179.012 176.600 0.004 0.000 0.991 15 E CA 1.057 57.472 56.400 0.026 0.000 0.799 15 E CB -0.106 29.649 29.700 0.092 0.000 0.748 15 E HN 0.233 nan 8.360 nan 0.000 0.449 16 V N 0.788 120.735 119.914 0.056 0.000 2.490 16 V HA -0.246 3.874 4.120 -0.000 0.000 0.250 16 V C 2.354 178.526 176.094 0.130 0.000 1.061 16 V CA 2.164 64.513 62.300 0.081 0.000 1.064 16 V CB -0.076 31.788 31.823 0.069 0.000 0.670 16 V HN 0.244 nan 8.190 nan 0.000 0.461 17 S N -0.711 115.059 115.700 0.116 0.000 2.368 17 S HA -0.122 4.348 4.470 -0.000 0.000 0.224 17 S C 1.897 176.455 174.600 -0.071 0.000 1.029 17 S CA 1.869 60.081 58.200 0.021 0.000 0.988 17 S CB -0.353 62.758 63.200 -0.149 0.000 0.838 17 S HN 0.614 nan 8.310 nan 0.000 0.462 18 L N 0.930 122.067 121.223 -0.143 0.000 2.046 18 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 18 L C 2.517 179.358 176.870 -0.048 0.000 1.077 18 L CA 1.113 55.870 54.840 -0.138 0.000 0.747 18 L CB -0.641 41.311 42.059 -0.179 0.000 0.896 18 L HN 0.352 nan 8.230 nan 0.000 0.432 19 L N -0.889 120.330 121.223 -0.007 0.000 2.042 19 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 19 L C 2.749 179.659 176.870 0.067 0.000 1.076 19 L CA 1.195 56.054 54.840 0.030 0.000 0.749 19 L CB -0.513 41.572 42.059 0.043 0.000 0.893 19 L HN 0.208 nan 8.230 nan 0.000 0.432 20 S N -0.388 115.375 115.700 0.104 0.000 2.368 20 S HA -0.161 4.308 4.470 -0.000 0.000 0.225 20 S C 2.190 176.840 174.600 0.084 0.000 1.030 20 S CA 1.173 59.482 58.200 0.182 0.000 0.999 20 S CB -0.254 63.119 63.200 0.289 0.000 0.844 20 S HN 0.506 nan 8.310 nan 0.000 0.459 21 A N 1.337 124.141 122.820 -0.027 0.000 1.908 21 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 21 A C 2.000 179.556 177.584 -0.047 0.000 1.181 21 A CA 1.965 53.938 52.037 -0.106 0.000 0.627 21 A CB -0.710 18.212 19.000 -0.130 0.000 0.818 21 A HN 0.644 nan 8.150 nan 0.000 0.445 22 E N -0.608 119.587 120.200 -0.009 0.000 2.038 22 E HA -0.155 4.195 4.350 -0.000 0.000 0.195 22 E C 2.111 178.739 176.600 0.045 0.000 1.000 22 E CA 1.328 57.732 56.400 0.006 0.000 0.803 22 E CB -0.544 29.163 29.700 0.012 0.000 0.750 22 E HN 0.482 nan 8.360 nan 0.000 0.448 23 G N 0.338 109.207 108.800 0.116 0.000 2.440 23 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 23 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 23 G C 1.657 176.780 174.900 0.371 0.000 1.154 23 G CA 1.020 46.269 45.100 0.248 0.000 0.767 23 G HN 0.264 nan 8.290 nan 0.000 0.552 24 V N 0.732 120.773 119.914 0.210 0.000 2.358 24 V HA -0.071 4.048 4.120 -0.000 0.000 0.246 24 V C 2.892 178.990 176.094 0.008 0.000 1.047 24 V CA 1.280 63.609 62.300 0.050 0.000 1.035 24 V CB -0.341 31.332 31.823 -0.249 0.000 0.658 24 V HN 0.339 nan 8.190 nan 0.000 0.452 25 L N -0.547 120.665 121.223 -0.019 0.000 2.083 25 L HA -0.155 4.184 4.340 -0.000 0.000 0.209 25 L C 2.715 179.561 176.870 -0.039 0.000 1.083 25 L CA 1.558 56.381 54.840 -0.028 0.000 0.752 25 L CB -0.507 41.530 42.059 -0.035 0.000 0.899 25 L HN 0.227 nan 8.230 nan 0.000 0.433 26 R N -1.325 119.128 120.500 -0.078 0.000 2.189 26 R HA -0.072 4.268 4.340 -0.000 0.000 0.223 26 R C 1.253 177.295 176.300 -0.428 0.000 1.092 26 R CA 0.751 56.693 56.100 -0.263 0.000 0.989 26 R CB -0.003 30.075 30.300 -0.370 0.000 0.876 26 R HN 0.485 nan 8.270 nan 0.000 0.457 27 H N -1.483 117.662 119.070 0.125 0.000 3.535 27 H HA 0.171 4.727 4.556 -0.000 0.000 0.260 27 H C 0.176 175.499 175.328 -0.008 0.000 1.173 27 H CA -0.455 55.653 56.048 0.100 0.000 1.168 27 H CB 0.549 30.469 29.762 0.263 0.000 1.568 27 H HN 0.063 nan 8.280 nan 0.000 0.602 28 I N 5.891 126.501 120.570 0.066 0.000 2.668 28 I HA 0.014 4.184 4.170 -0.000 0.000 0.285 28 I C -1.391 174.726 176.117 0.001 0.000 1.168 28 I CA -1.293 60.029 61.300 0.038 0.000 1.424 28 I CB 1.049 39.102 38.000 0.088 0.000 1.377 28 I HN -0.110 nan 8.210 nan 0.000 0.560 29 P HA 0.125 nan 4.420 nan 0.000 0.258 29 P C -0.963 175.998 177.300 -0.565 0.000 1.559 29 P CA 0.456 63.354 63.100 -0.337 0.000 0.855 29 P CB -0.569 30.866 31.700 -0.443 0.000 1.594 30 F N -0.374 119.597 119.950 0.034 0.000 2.631 30 F HA 0.428 4.955 4.527 -0.000 0.000 0.308 30 F C -2.367 173.458 175.800 0.042 0.000 1.097 30 F CA -2.941 55.082 58.000 0.038 0.000 0.952 30 F CB 1.448 40.477 39.000 0.048 0.000 1.307 30 F HN -0.337 nan 8.300 nan 0.000 0.450 31 P HA 0.194 nan 4.420 nan 0.000 0.266 31 P C -1.002 176.403 177.300 0.175 0.000 1.215 31 P CA 0.242 63.437 63.100 0.158 0.000 0.763 31 P CB 0.666 32.437 31.700 0.120 0.000 0.806 32 T N 2.626 117.265 114.554 0.143 0.000 2.893 32 T HA 0.383 4.733 4.350 -0.000 0.000 0.293 32 T C -0.773 173.994 174.700 0.111 0.000 1.027 32 T CA -0.601 61.583 62.100 0.140 0.000 0.988 32 T CB 1.382 70.312 68.868 0.104 0.000 1.043 32 T HN 0.168 nan 8.240 nan 0.000 0.461 33 D N 1.394 121.872 120.400 0.130 0.000 2.299 33 D HA 0.605 5.245 4.640 -0.000 0.000 0.243 33 D C -0.815 175.476 176.300 -0.015 0.000 0.982 33 D CA -0.543 53.509 54.000 0.087 0.000 0.924 33 D CB 1.994 42.911 40.800 0.195 0.000 1.238 33 D HN 0.268 nan 8.370 nan 0.000 0.484 34 L N 0.847 122.060 121.223 -0.017 0.000 2.329 34 L HA 0.746 5.086 4.340 -0.000 0.000 0.279 34 L C -1.255 175.598 176.870 -0.028 0.000 1.014 34 L CA -0.547 54.267 54.840 -0.044 0.000 0.814 34 L CB 1.538 43.574 42.059 -0.038 0.000 1.257 34 L HN 0.424 nan 8.230 nan 0.000 0.424 35 A N 4.605 127.407 122.820 -0.030 0.000 2.356 35 A HA 0.810 5.130 4.320 -0.000 0.000 0.310 35 A C -1.532 176.034 177.584 -0.029 0.000 1.075 35 A CA -0.535 51.530 52.037 0.047 0.000 0.746 35 A CB 1.633 20.718 19.000 0.142 0.000 1.221 35 A HN 0.521 nan 8.150 nan 0.000 0.443 36 V N 3.335 123.232 119.914 -0.028 0.000 2.604 36 V HA 0.436 4.556 4.120 -0.000 0.000 0.305 36 V C -0.411 175.521 176.094 -0.271 0.000 1.043 36 V CA -0.359 61.858 62.300 -0.138 0.000 0.888 36 V CB 1.831 33.622 31.823 -0.054 0.000 0.995 36 V HN 0.767 nan 8.190 nan 0.000 0.429 37 I N 4.068 124.386 120.570 -0.420 0.000 2.312 37 I HA 0.543 4.713 4.170 -0.000 0.000 0.290 37 I C 0.732 176.779 176.117 -0.117 0.000 1.008 37 I CA -0.296 60.686 61.300 -0.530 0.000 1.226 37 I CB 1.475 39.072 38.000 -0.671 0.000 1.371 37 I HN 0.722 nan 8.210 nan 0.000 0.468 38 A N 5.496 128.289 122.820 -0.045 0.000 2.366 38 A HA 0.176 4.496 4.320 -0.000 0.000 0.249 38 A C 1.083 178.629 177.584 -0.063 0.000 1.084 38 A CA -0.176 51.869 52.037 0.013 0.000 0.794 38 A CB 0.361 19.368 19.000 0.013 0.000 1.034 38 A HN 0.832 nan 8.150 nan 0.000 0.491 39 Q N 0.081 119.738 119.800 -0.237 0.000 2.297 39 Q HA -0.183 4.156 4.340 -0.000 0.000 0.208 39 Q C 0.486 176.434 176.000 -0.087 0.000 0.981 39 Q CA 1.468 57.123 55.803 -0.246 0.000 0.876 39 Q CB -0.141 28.374 28.738 -0.371 0.000 0.921 39 Q HN 0.912 nan 8.270 nan 0.000 0.446 40 D N -1.235 119.138 120.400 -0.045 0.000 2.340 40 D HA 0.044 4.684 4.640 -0.000 0.000 0.220 40 D C 1.190 177.520 176.300 0.050 0.000 1.039 40 D CA 0.770 54.772 54.000 0.004 0.000 0.866 40 D CB 0.195 41.000 40.800 0.009 0.000 0.913 40 D HN 0.260 nan 8.370 nan 0.000 0.523 41 G N 0.283 109.117 108.800 0.057 0.000 2.217 41 G HA2 -0.312 3.647 3.960 -0.000 0.000 0.246 41 G HA3 -0.312 3.647 3.960 -0.000 0.000 0.246 41 G C 0.422 175.442 174.900 0.201 0.000 0.990 41 G CA -0.003 45.165 45.100 0.113 0.000 0.627 41 G HN 0.469 nan 8.290 nan 0.000 0.522 42 R N -0.746 119.865 120.500 0.185 0.000 2.531 42 R HA 0.492 4.832 4.340 -0.000 0.000 0.273 42 R C -0.218 176.286 176.300 0.339 0.000 1.070 42 R CA -0.424 55.854 56.100 0.297 0.000 1.112 42 R CB 0.507 30.912 30.300 0.175 0.000 1.049 42 R HN 0.213 nan 8.270 nan 0.000 0.508 43 W N 1.777 123.155 121.300 0.129 0.000 2.436 43 W HA 0.447 5.108 4.660 0.001 0.000 0.347 43 W C -0.381 176.202 176.519 0.107 0.000 1.136 43 W CA -0.381 57.042 57.345 0.130 0.000 1.286 43 W CB 0.515 30.067 29.460 0.153 0.000 1.253 43 W HN 0.201 nan 8.180 nan 0.000 0.617 44 L N 2.945 124.355 121.223 0.312 0.000 2.385 44 L HA 0.569 4.909 4.340 -0.000 0.000 0.273 44 L C -0.378 176.617 176.870 0.208 0.000 0.990 44 L CA -0.728 54.226 54.840 0.191 0.000 0.821 44 L CB 1.110 43.225 42.059 0.094 0.000 1.279 44 L HN 0.222 nan 8.230 nan 0.000 0.412 45 L N 1.112 122.448 121.223 0.189 0.000 2.235 45 L HA 0.800 5.140 4.340 -0.000 0.000 0.260 45 L C 1.036 177.957 176.870 0.086 0.000 1.025 45 L CA -0.590 54.331 54.840 0.135 0.000 0.836 45 L CB 1.550 43.684 42.059 0.126 0.000 1.395 45 L HN 0.770 nan 8.230 nan 0.000 0.443 46 G N 0.573 109.408 108.800 0.060 0.000 2.602 46 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.306 46 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.306 46 G C 0.725 175.648 174.900 0.038 0.000 1.301 46 G CA 0.970 46.097 45.100 0.046 0.000 0.974 46 G HN 0.809 nan 8.290 nan 0.000 0.547 47 E N 0.065 120.285 120.200 0.032 0.000 2.160 47 E HA -0.077 4.273 4.350 -0.000 0.000 0.195 47 E C 2.451 179.066 176.600 0.024 0.000 0.991 47 E CA 1.968 58.382 56.400 0.024 0.000 0.810 47 E CB -0.146 29.566 29.700 0.020 0.000 0.742 47 E HN 0.420 nan 8.360 nan 0.000 0.466 48 K N -0.165 120.253 120.400 0.031 0.000 2.147 48 K HA -0.040 4.280 4.320 -0.000 0.000 0.205 48 K C 1.943 178.562 176.600 0.031 0.000 1.049 48 K CA 1.063 57.368 56.287 0.029 0.000 0.936 48 K CB -0.413 32.106 32.500 0.032 0.000 0.722 48 K HN 0.226 nan 8.250 nan 0.000 0.446 49 A N 1.229 124.070 122.820 0.036 0.000 1.873 49 A HA -0.087 4.233 4.320 -0.000 0.000 0.215 49 A C 2.311 179.901 177.584 0.010 0.000 1.186 49 A CA 1.025 53.078 52.037 0.026 0.000 0.616 49 A CB -0.591 18.427 19.000 0.029 0.000 0.823 49 A HN 0.178 nan 8.150 nan 0.000 0.442 50 L N -0.596 120.633 121.223 0.010 0.000 2.083 50 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 50 L C 2.746 179.619 176.870 0.005 0.000 1.083 50 L CA 1.722 56.563 54.840 0.003 0.000 0.752 50 L CB -0.871 41.192 42.059 0.006 0.000 0.899 50 L HN 0.344 nan 8.230 nan 0.000 0.433 51 T N -0.170 114.390 114.554 0.010 0.000 2.788 51 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 51 T C 1.989 176.697 174.700 0.013 0.000 1.044 51 T CA 1.296 63.403 62.100 0.011 0.000 1.139 51 T CB -0.173 68.703 68.868 0.013 0.000 0.867 51 T HN 0.456 nan 8.240 nan 0.000 0.454 52 A N 1.042 123.872 122.820 0.016 0.000 1.930 52 A HA 0.037 4.357 4.320 -0.000 0.000 0.217 52 A C 2.202 179.795 177.584 0.015 0.000 1.175 52 A CA 1.023 53.074 52.037 0.024 0.000 0.627 52 A CB -0.699 18.322 19.000 0.035 0.000 0.815 52 A HN 0.399 nan 8.150 nan 0.000 0.443 53 L N 0.326 121.548 121.223 -0.002 0.000 2.017 53 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 53 L C 2.340 179.207 176.870 -0.004 0.000 1.073 53 L CA 2.676 57.506 54.840 -0.016 0.000 0.745 53 L CB -0.636 41.409 42.059 -0.024 0.000 0.894 53 L HN 0.618 nan 8.230 nan 0.000 0.432 54 E N -0.640 119.560 120.200 0.001 0.000 2.160 54 E HA -0.247 4.103 4.350 -0.000 0.000 0.195 54 E C 1.828 178.434 176.600 0.010 0.000 0.991 54 E CA 1.147 57.550 56.400 0.004 0.000 0.810 54 E CB -0.100 29.604 29.700 0.005 0.000 0.742 54 E HN 0.609 nan 8.360 nan 0.000 0.466 55 A N 0.369 123.198 122.820 0.015 0.000 2.169 55 A HA 0.016 4.336 4.320 -0.000 0.000 0.212 55 A C 1.142 178.744 177.584 0.029 0.000 1.153 55 A CA 0.640 52.690 52.037 0.022 0.000 0.756 55 A CB 0.146 19.162 19.000 0.026 0.000 0.813 55 A HN 0.170 nan 8.150 nan 0.000 0.471 56 K N -2.824 117.592 120.400 0.026 0.000 3.446 56 K HA -0.182 4.138 4.320 -0.000 0.000 0.312 56 K C -0.140 176.501 176.600 0.069 0.000 1.329 56 K CA 1.034 57.339 56.287 0.030 0.000 0.935 56 K CB -2.152 30.366 32.500 0.029 0.000 1.281 56 K HN 1.588 nan 8.250 nan 0.000 0.457 57 A N -1.106 121.778 122.820 0.106 0.000 2.580 57 A HA 0.682 5.002 4.320 -0.000 0.000 0.301 57 A C -1.379 176.326 177.584 0.201 0.000 1.054 57 A CA -0.000 52.179 52.037 0.236 0.000 0.751 57 A CB 1.268 20.358 19.000 0.150 0.000 1.275 57 A HN 0.596 nan 8.150 nan 0.000 0.403 58 A N 3.637 126.649 122.820 0.320 0.000 2.536 58 A HA 0.748 5.068 4.320 -0.000 0.000 0.329 58 A C -2.254 175.305 177.584 -0.041 0.000 1.321 58 A CA -1.509 50.601 52.037 0.122 0.000 0.804 58 A CB 0.468 19.565 19.000 0.161 0.000 1.126 58 A HN 0.382 nan 8.150 nan 0.000 0.480 59 P HA -0.048 nan 4.420 nan 0.000 0.219 59 P C 0.022 177.286 177.300 -0.061 0.000 1.150 59 P CA 1.290 64.333 63.100 -0.096 0.000 0.814 59 P CB 0.361 32.029 31.700 -0.052 0.000 0.787 60 E N -0.701 119.485 120.200 -0.024 0.000 2.256 60 E HA 0.516 4.866 4.350 -0.000 0.000 0.268 60 E C -0.166 176.441 176.600 0.012 0.000 0.877 60 E CA -0.722 55.675 56.400 -0.005 0.000 0.757 60 E CB 2.244 31.941 29.700 -0.005 0.000 1.183 60 E HN -0.062 nan 8.360 nan 0.000 0.418 61 G N 0.992 109.810 108.800 0.030 0.000 2.642 61 G HA2 0.253 4.213 3.960 -0.000 0.000 0.291 61 G HA3 0.253 4.213 3.960 -0.000 0.000 0.291 61 G C 0.206 175.113 174.900 0.011 0.000 1.345 61 G CA -0.241 44.889 45.100 0.051 0.000 1.043 61 G HN 0.517 nan 8.290 nan 0.000 0.528 62 E N -1.301 118.877 120.200 -0.037 0.000 2.364 62 E HA 0.060 4.410 4.350 -0.000 0.000 0.203 62 E C -0.281 176.178 176.600 -0.235 0.000 0.888 62 E CA 0.067 56.345 56.400 -0.203 0.000 0.989 62 E CB 0.478 29.938 29.700 -0.399 0.000 0.985 62 E HN 0.377 nan 8.360 nan 0.000 0.499 63 H N 1.410 120.551 119.070 0.120 0.000 2.511 63 H HA 0.331 4.886 4.556 -0.001 0.000 0.328 63 H C -2.438 172.967 175.328 0.128 0.000 1.044 63 H CA -2.590 53.509 56.048 0.086 0.000 1.212 63 H CB 1.056 30.837 29.762 0.032 0.000 1.428 63 H HN -0.040 nan 8.280 nan 0.000 0.483 64 P HA -0.024 nan 4.420 nan 0.000 0.271 64 P C 0.081 177.457 177.300 0.127 0.000 1.218 64 P CA -0.259 62.952 63.100 0.184 0.000 0.780 64 P CB 0.455 32.226 31.700 0.118 0.000 0.901 65 F N 4.765 124.735 119.950 0.034 0.000 2.563 65 F HA 0.217 4.744 4.527 0.000 0.000 0.363 65 F C -1.614 174.092 175.800 -0.155 0.000 1.123 65 F CA -1.179 56.743 58.000 -0.131 0.000 1.307 65 F CB -0.084 38.888 39.000 -0.047 0.000 1.115 65 F HN 0.263 nan 8.300 nan 0.000 0.592 66 P HA 0.253 nan 4.420 nan 0.000 0.285 66 P C -2.860 173.950 177.300 -0.816 0.000 1.259 66 P CA -1.549 60.594 63.100 -1.594 0.000 0.794 66 P CB 0.803 31.724 31.700 -1.298 0.000 0.940 67 P HA 0.101 nan 4.420 nan 0.000 0.268 67 P C -2.180 174.824 177.300 -0.492 0.000 1.204 67 P CA -1.327 61.317 63.100 -0.761 0.000 0.768 67 P CB -0.437 30.545 31.700 -1.197 0.000 0.842 68 P HA 0.223 nan 4.420 nan 0.000 0.237 68 P C -0.400 176.675 177.300 -0.375 0.000 1.788 68 P CA 0.159 63.034 63.100 -0.376 0.000 1.061 68 P CB 0.018 31.460 31.700 -0.431 0.000 1.967 69 L N 1.138 122.078 121.223 -0.470 0.000 2.309 69 L HA 0.263 4.603 4.340 -0.000 0.000 0.282 69 L C 0.782 177.306 176.870 -0.577 0.000 1.036 69 L CA -0.568 53.888 54.840 -0.641 0.000 0.806 69 L CB 1.431 42.772 42.059 -1.197 0.000 1.220 69 L HN 0.038 nan 8.230 nan 0.000 0.429 70 S N 2.143 117.663 115.700 -0.301 0.000 3.919 70 S HA 0.013 4.483 4.470 -0.000 0.000 0.245 70 S C 0.648 175.236 174.600 -0.021 0.000 1.344 70 S CA -0.477 57.647 58.200 -0.127 0.000 0.896 70 S CB -0.319 62.831 63.200 -0.083 0.000 1.557 70 S HN 0.541 nan 8.310 nan 0.000 0.468 71 W N 1.542 122.895 121.300 0.088 0.000 2.331 71 W HA -0.162 4.497 4.660 -0.001 0.000 0.291 71 W C 1.682 178.263 176.519 0.102 0.000 1.214 71 W CA 0.716 58.142 57.345 0.135 0.000 1.228 71 W CB -0.365 29.090 29.460 -0.008 0.000 1.135 71 W HN 0.483 nan 8.180 nan 0.000 0.537 72 E N 0.194 120.518 120.200 0.206 0.000 2.333 72 E HA -0.157 4.193 4.350 -0.000 0.000 0.198 72 E C 1.720 178.300 176.600 -0.032 0.000 1.007 72 E CA 1.030 57.477 56.400 0.078 0.000 0.845 72 E CB -0.392 29.328 29.700 0.033 0.000 0.766 72 E HN 0.320 nan 8.360 nan 0.000 0.507 73 R N -0.420 119.982 120.500 -0.164 0.000 2.276 73 R HA 0.043 4.383 4.340 -0.000 0.000 0.203 73 R C -0.165 175.757 176.300 -0.630 0.000 1.017 73 R CA 0.380 56.211 56.100 -0.448 0.000 1.010 73 R CB 0.125 30.013 30.300 -0.687 0.000 0.900 73 R HN 0.219 nan 8.270 nan 0.000 0.469 74 Y N -0.227 120.095 120.300 0.037 0.000 2.377 74 Y HA 0.174 4.724 4.550 -0.001 0.000 0.339 74 Y C 0.884 176.804 175.900 0.034 0.000 1.011 74 Y CA -1.014 57.110 58.100 0.041 0.000 1.093 74 Y CB 1.392 39.897 38.460 0.076 0.000 1.201 74 Y HN -0.151 nan 8.280 nan 0.000 0.455 75 D N 1.238 121.710 120.400 0.120 0.000 2.137 75 D HA -0.022 4.618 4.640 -0.000 0.000 0.202 75 D C 0.046 176.377 176.300 0.052 0.000 0.970 75 D CA 1.360 55.384 54.000 0.041 0.000 0.837 75 D CB 0.578 41.355 40.800 -0.039 0.000 0.981 75 D HN 0.310 nan 8.370 nan 0.000 0.475 76 V N -1.289 118.669 119.914 0.073 0.000 2.888 76 V HA 0.539 4.659 4.120 -0.000 0.000 0.309 76 V C -0.727 175.445 176.094 0.129 0.000 1.114 76 V CA -0.892 61.447 62.300 0.064 0.000 0.940 76 V CB 2.537 34.341 31.823 -0.032 0.000 1.021 76 V HN -0.237 nan 8.190 nan 0.000 0.426 77 V N 4.921 124.934 119.914 0.164 0.000 2.435 77 V HA 0.517 4.637 4.120 -0.000 0.000 0.290 77 V C -0.653 175.581 176.094 0.233 0.000 1.030 77 V CA -0.292 62.127 62.300 0.198 0.000 0.881 77 V CB 1.526 33.496 31.823 0.245 0.000 0.983 77 V HN 0.844 nan 8.190 nan 0.000 0.445 78 F N 8.354 128.329 119.950 0.042 0.000 2.307 78 F HA 0.550 5.077 4.527 -0.000 0.000 0.369 78 F C -2.338 173.462 175.800 0.000 0.000 1.076 78 F CA -3.467 54.538 58.000 0.008 0.000 1.149 78 F CB 1.497 40.461 39.000 -0.060 0.000 1.410 78 F HN 0.309 nan 8.300 nan 0.000 0.481 79 P HA 0.157 nan 4.420 nan 0.000 0.284 79 P C -0.365 177.074 177.300 0.231 0.000 1.343 79 P CA 0.041 63.287 63.100 0.243 0.000 0.826 79 P CB 1.186 32.983 31.700 0.162 0.000 0.956 80 L N 5.312 126.557 121.223 0.038 0.000 2.828 80 L HA 0.343 4.683 4.340 -0.000 0.000 0.233 80 L C -0.332 176.375 176.870 -0.271 0.000 1.250 80 L CA -0.363 54.422 54.840 -0.093 0.000 1.125 80 L CB -0.129 41.753 42.059 -0.295 0.000 1.432 80 L HN 0.255 nan 8.230 nan 0.000 0.444 81 L N 0.480 121.562 121.223 -0.235 0.000 2.346 81 L HA 0.550 4.890 4.340 -0.000 0.000 0.274 81 L C -0.516 176.183 176.870 -0.286 0.000 1.007 81 L CA -0.894 53.779 54.840 -0.278 0.000 0.818 81 L CB 1.752 43.761 42.059 -0.084 0.000 1.284 81 L HN 0.204 nan 8.230 nan 0.000 0.424 82 H N 0.960 120.062 119.070 0.054 0.000 2.573 82 H HA 0.552 5.108 4.556 -0.000 0.000 0.351 82 H C 0.547 175.894 175.328 0.033 0.000 1.163 82 H CA 0.136 56.213 56.048 0.048 0.000 1.205 82 H CB 1.822 31.607 29.762 0.039 0.000 1.605 82 H HN 0.778 nan 8.280 nan 0.000 0.525 83 G N 1.758 110.650 108.800 0.154 0.000 2.611 83 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.301 83 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.301 83 G C 0.384 175.305 174.900 0.036 0.000 1.233 83 G CA 0.381 45.521 45.100 0.068 0.000 0.993 83 G HN 0.774 nan 8.290 nan 0.000 0.553 84 R N 0.319 120.798 120.500 -0.034 0.000 2.502 84 R HA 0.280 4.620 4.340 -0.000 0.000 0.292 84 R C 0.531 176.802 176.300 -0.048 0.000 0.998 84 R CA 0.740 56.749 56.100 -0.152 0.000 1.056 84 R CB -0.758 29.341 30.300 -0.334 0.000 0.939 84 R HN 0.885 nan 8.270 nan 0.000 0.411 85 F N 1.732 121.675 119.950 -0.013 0.000 3.057 85 F HA -0.318 4.209 4.527 0.000 0.000 0.287 85 F C 1.017 176.806 175.800 -0.019 0.000 0.834 85 F CA 0.136 58.117 58.000 -0.032 0.000 1.147 85 F CB -1.343 37.624 39.000 -0.055 0.000 1.245 85 F HN 0.882 nan 8.300 nan 0.000 0.509 86 G N -0.073 108.826 108.800 0.165 0.000 2.553 86 G HA2 0.133 4.093 3.960 -0.000 0.000 0.190 86 G HA3 0.133 4.093 3.960 -0.000 0.000 0.190 86 G C 0.580 175.537 174.900 0.094 0.000 1.217 86 G CA 0.271 45.429 45.100 0.097 0.000 0.654 86 G HN 0.333 nan 8.290 nan 0.000 0.727 87 E N 1.044 121.302 120.200 0.097 0.000 2.501 87 E HA 0.097 4.447 4.350 -0.000 0.000 0.201 87 E C 0.569 177.210 176.600 0.068 0.000 1.016 87 E CA 0.290 56.743 56.400 0.088 0.000 0.920 87 E CB 0.632 30.387 29.700 0.093 0.000 1.023 87 E HN 0.506 nan 8.360 nan 0.000 0.474 88 D N -0.533 119.913 120.400 0.076 0.000 2.339 88 D HA 0.042 4.681 4.640 -0.000 0.000 0.217 88 D C 1.376 177.716 176.300 0.067 0.000 1.050 88 D CA 0.629 54.670 54.000 0.067 0.000 0.856 88 D CB 0.306 41.150 40.800 0.075 0.000 0.922 88 D HN 0.157 nan 8.370 nan 0.000 0.518 89 G N 0.022 108.861 108.800 0.064 0.000 2.195 89 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.246 89 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.246 89 G C 1.278 176.199 174.900 0.035 0.000 0.984 89 G CA 0.984 46.112 45.100 0.046 0.000 0.633 89 G HN 0.562 nan 8.290 nan 0.000 0.525 90 T N -1.104 113.485 114.554 0.058 0.000 2.701 90 T HA 0.012 4.362 4.350 -0.000 0.000 0.263 90 T C 2.260 176.955 174.700 -0.008 0.000 1.040 90 T CA 2.266 64.377 62.100 0.018 0.000 1.147 90 T CB -0.539 68.346 68.868 0.028 0.000 0.865 90 T HN 0.595 nan 8.240 nan 0.000 0.426 91 V N 1.923 121.845 119.914 0.014 0.000 2.427 91 V HA -0.144 3.976 4.120 -0.000 0.000 0.248 91 V C 2.926 178.990 176.094 -0.049 0.000 1.051 91 V CA 1.713 64.052 62.300 0.065 0.000 1.048 91 V CB -1.000 30.883 31.823 0.099 0.000 0.666 91 V HN 0.372 nan 8.190 nan 0.000 0.456 92 Q N 0.852 120.556 119.800 -0.160 0.000 2.096 92 Q HA -0.121 4.219 4.340 -0.000 0.000 0.204 92 Q C 2.373 178.207 176.000 -0.277 0.000 0.982 92 Q CA 1.965 57.509 55.803 -0.432 0.000 0.850 92 Q CB -1.065 27.569 28.738 -0.173 0.000 0.901 92 Q HN 0.639 nan 8.270 nan 0.000 0.422 93 G N -0.573 108.183 108.800 -0.075 0.000 2.422 93 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 93 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 93 G C 1.291 176.202 174.900 0.020 0.000 1.146 93 G CA 0.461 45.554 45.100 -0.011 0.000 0.769 93 G HN 0.421 nan 8.290 nan 0.000 0.547 94 F N 0.913 120.785 119.950 -0.131 0.000 2.102 94 F HA -0.009 4.517 4.527 -0.001 0.000 0.298 94 F C 2.395 178.057 175.800 -0.230 0.000 1.105 94 F CA 0.894 58.824 58.000 -0.117 0.000 1.239 94 F CB 0.032 39.023 39.000 -0.015 0.000 0.991 94 F HN 0.038 nan 8.300 nan 0.000 0.474 95 L N 0.146 121.114 121.223 -0.426 0.000 2.141 95 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 95 L C 2.427 179.103 176.870 -0.323 0.000 1.094 95 L CA 0.830 55.330 54.840 -0.568 0.000 0.763 95 L CB -0.699 41.033 42.059 -0.546 0.000 0.908 95 L HN 0.162 nan 8.230 nan 0.000 0.437 96 E N 0.110 120.204 120.200 -0.177 0.000 2.047 96 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 96 E C 2.259 178.797 176.600 -0.104 0.000 0.987 96 E CA 1.009 57.385 56.400 -0.039 0.000 0.799 96 E CB -0.157 29.554 29.700 0.019 0.000 0.752 96 E HN 0.273 nan 8.360 nan 0.000 0.449 97 L N 0.576 121.716 121.223 -0.138 0.000 2.083 97 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 97 L C 2.374 179.105 176.870 -0.232 0.000 1.083 97 L CA 1.255 56.016 54.840 -0.132 0.000 0.752 97 L CB -0.927 41.096 42.059 -0.060 0.000 0.899 97 L HN 0.114 nan 8.230 nan 0.000 0.433 98 L N -0.875 120.091 121.223 -0.429 0.000 2.552 98 L HA 0.084 4.423 4.340 -0.000 0.000 0.227 98 L C 1.382 178.068 176.870 -0.307 0.000 1.146 98 L CA 0.594 55.124 54.840 -0.517 0.000 0.858 98 L CB -0.547 40.902 42.059 -1.017 0.000 0.969 98 L HN 0.517 nan 8.230 nan 0.000 0.451 99 G N 0.388 109.063 108.800 -0.208 0.000 2.176 99 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.252 99 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.252 99 G C 0.017 174.871 174.900 -0.077 0.000 1.024 99 G CA -0.021 45.014 45.100 -0.108 0.000 0.755 99 G HN 0.176 nan 8.290 nan 0.000 0.507 100 K N 0.359 120.704 120.400 -0.093 0.000 2.185 100 K HA 0.492 4.812 4.320 -0.000 0.000 0.269 100 K C -2.500 174.161 176.600 0.102 0.000 0.987 100 K CA -2.210 54.073 56.287 -0.008 0.000 0.865 100 K CB 1.749 34.227 32.500 -0.037 0.000 1.090 100 K HN 0.043 nan 8.250 nan 0.000 0.450 101 P HA 0.128 nan 4.420 nan 0.000 0.271 101 P C -1.136 176.220 177.300 0.093 0.000 1.216 101 P CA -0.020 63.084 63.100 0.006 0.000 0.776 101 P CB 0.213 31.886 31.700 -0.044 0.000 0.881 102 Y N -0.700 119.569 120.300 -0.052 0.000 2.588 102 Y HA 0.635 5.185 4.550 -0.000 0.000 0.343 102 Y C -0.946 174.891 175.900 -0.106 0.000 1.065 102 Y CA -1.754 56.313 58.100 -0.054 0.000 1.038 102 Y CB 0.326 38.772 38.460 -0.024 0.000 1.297 102 Y HN 0.000 nan 8.280 nan 0.000 0.467 103 V N 2.983 122.858 119.914 -0.065 0.000 2.775 103 V HA 0.610 4.730 4.120 -0.000 0.000 0.299 103 V C 0.844 176.864 176.094 -0.122 0.000 1.062 103 V CA 0.905 63.039 62.300 -0.277 0.000 1.063 103 V CB 0.275 31.634 31.823 -0.773 0.000 0.994 103 V HN 1.483 nan 8.190 nan 0.000 0.483 104 G N 3.061 111.776 108.800 -0.141 0.000 2.685 104 G HA2 0.254 4.213 3.960 -0.000 0.000 0.387 104 G HA3 0.254 4.213 3.960 -0.000 0.000 0.387 104 G C -0.043 174.852 174.900 -0.009 0.000 1.324 104 G CA -0.302 44.782 45.100 -0.028 0.000 0.878 104 G HN 1.636 nan 8.290 nan 0.000 0.527 105 A N -0.109 122.725 122.820 0.024 0.000 2.520 105 A HA 0.655 4.975 4.320 -0.000 0.000 0.235 105 A C 1.477 179.129 177.584 0.112 0.000 1.065 105 A CA 1.589 53.629 52.037 0.004 0.000 0.764 105 A CB -0.006 18.985 19.000 -0.014 0.000 1.002 105 A HN 2.456 nan 8.150 nan 0.000 0.502 106 G N -0.368 108.468 108.800 0.061 0.000 2.535 106 G HA2 0.375 4.334 3.960 -0.000 0.000 0.282 106 G HA3 0.375 4.334 3.960 -0.000 0.000 0.282 106 G C 1.058 176.036 174.900 0.132 0.000 1.350 106 G CA 0.137 45.330 45.100 0.154 0.000 1.039 106 G HN 0.694 nan 8.290 nan 0.000 0.509 107 V N 0.930 120.917 119.914 0.122 0.000 2.233 107 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 107 V C 3.344 179.462 176.094 0.041 0.000 1.050 107 V CA 2.711 65.053 62.300 0.070 0.000 1.010 107 V CB -1.250 30.607 31.823 0.057 0.000 0.637 107 V HN 0.807 nan 8.190 nan 0.000 0.444 108 A N 0.038 122.875 122.820 0.028 0.000 1.865 108 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 108 A C 2.442 180.024 177.584 -0.002 0.000 1.191 108 A CA 2.596 54.640 52.037 0.011 0.000 0.623 108 A CB -1.088 17.914 19.000 0.003 0.000 0.826 108 A HN 0.623 nan 8.150 nan 0.000 0.444 109 A N -0.730 122.080 122.820 -0.016 0.000 1.908 109 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 109 A C 2.470 180.038 177.584 -0.027 0.000 1.181 109 A CA 2.265 54.276 52.037 -0.043 0.000 0.627 109 A CB -0.963 17.987 19.000 -0.083 0.000 0.818 109 A HN 0.478 nan 8.150 nan 0.000 0.445 110 S N -0.213 115.489 115.700 0.003 0.000 2.348 110 S HA -0.059 4.411 4.470 -0.000 0.000 0.221 110 S C 2.362 176.971 174.600 0.016 0.000 1.033 110 S CA 1.316 59.527 58.200 0.019 0.000 1.010 110 S CB -0.567 62.662 63.200 0.049 0.000 0.891 110 S HN 0.825 nan 8.310 nan 0.000 0.442 111 A N 1.227 124.059 122.820 0.020 0.000 1.902 111 A HA -0.063 4.257 4.320 -0.000 0.000 0.217 111 A C 2.138 179.727 177.584 0.007 0.000 1.181 111 A CA 1.439 53.488 52.037 0.020 0.000 0.623 111 A CB -0.723 18.293 19.000 0.025 0.000 0.818 111 A HN 0.405 nan 8.150 nan 0.000 0.443 112 L N -0.247 120.974 121.223 -0.003 0.000 2.027 112 L HA -0.133 4.207 4.340 -0.000 0.000 0.206 112 L C 2.363 179.215 176.870 -0.030 0.000 1.074 112 L CA 2.129 56.961 54.840 -0.014 0.000 0.745 112 L CB -0.926 41.120 42.059 -0.021 0.000 0.898 112 L HN 0.443 nan 8.230 nan 0.000 0.433 113 C N -0.584 118.694 119.300 -0.037 0.000 2.422 113 C HA -0.068 4.392 4.460 -0.000 0.000 0.286 113 C C 2.532 177.496 174.990 -0.044 0.000 1.412 113 C CA 0.830 59.817 59.018 -0.051 0.000 1.786 113 C CB -1.055 26.655 27.740 -0.050 0.000 1.835 113 C HN 0.681 nan 8.230 nan 0.000 0.533 114 M N 0.431 120.018 119.600 -0.022 0.000 2.502 114 M HA 0.199 4.678 4.480 -0.000 0.000 0.243 114 M C 0.226 176.517 176.300 -0.016 0.000 1.130 114 M CA 0.858 56.149 55.300 -0.015 0.000 1.055 114 M CB -0.275 32.328 32.600 0.005 0.000 1.457 114 M HN 0.102 nan 8.290 nan 0.000 0.488 115 D N 0.495 120.883 120.400 -0.020 0.000 2.427 115 D HA 0.148 4.788 4.640 -0.000 0.000 0.226 115 D C 0.307 176.583 176.300 -0.039 0.000 1.076 115 D CA 0.060 54.055 54.000 -0.009 0.000 0.849 115 D CB 0.857 41.663 40.800 0.010 0.000 1.052 115 D HN 0.210 nan 8.370 nan 0.000 0.515 116 K N 2.266 122.638 120.400 -0.047 0.000 2.152 116 K HA -0.190 4.130 4.320 -0.000 0.000 0.206 116 K C 1.119 177.630 176.600 -0.149 0.000 1.048 116 K CA 1.337 57.560 56.287 -0.107 0.000 0.933 116 K CB 0.256 32.709 32.500 -0.078 0.000 0.721 116 K HN 0.397 nan 8.250 nan 0.000 0.447 117 D N 0.816 121.212 120.400 -0.006 0.000 2.106 117 D HA -0.077 4.563 4.640 -0.000 0.000 0.203 117 D C 1.838 178.200 176.300 0.103 0.000 0.977 117 D CA 0.867 54.945 54.000 0.131 0.000 0.844 117 D CB 0.021 40.967 40.800 0.243 0.000 1.002 117 D HN 0.007 nan 8.370 nan 0.000 0.461 118 L N 0.506 121.770 121.223 0.069 0.000 2.083 118 L HA -0.111 4.228 4.340 -0.000 0.000 0.209 118 L C 2.605 179.475 176.870 0.001 0.000 1.083 118 L CA 1.376 56.251 54.840 0.057 0.000 0.752 118 L CB -0.691 41.394 42.059 0.044 0.000 0.899 118 L HN 0.190 nan 8.230 nan 0.000 0.433 119 S N -0.681 114.983 115.700 -0.059 0.000 2.406 119 S HA -0.138 4.332 4.470 -0.000 0.000 0.228 119 S C 1.911 176.418 174.600 -0.155 0.000 1.020 119 S CA 0.577 58.721 58.200 -0.095 0.000 0.965 119 S CB -0.162 62.971 63.200 -0.112 0.000 0.798 119 S HN 0.364 nan 8.310 nan 0.000 0.488 120 K N 1.073 121.306 120.400 -0.278 0.000 2.062 120 K HA 0.095 4.415 4.320 -0.000 0.000 0.205 120 K C 2.603 179.071 176.600 -0.221 0.000 1.051 120 K CA 0.839 56.827 56.287 -0.498 0.000 0.941 120 K CB -0.163 31.558 32.500 -1.300 0.000 0.719 120 K HN 0.333 nan 8.250 nan 0.000 0.440 121 R N 0.520 121.049 120.500 0.049 0.000 2.091 121 R HA -0.131 4.209 4.340 -0.000 0.000 0.238 121 R C 2.304 178.682 176.300 0.129 0.000 1.136 121 R CA 1.365 57.625 56.100 0.267 0.000 0.959 121 R CB -0.490 29.965 30.300 0.259 0.000 0.856 121 R HN 0.009 nan 8.270 nan 0.000 0.437 122 V N 1.435 121.379 119.914 0.051 0.000 2.307 122 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 122 V C 2.329 178.432 176.094 0.015 0.000 1.045 122 V CA 1.631 63.947 62.300 0.027 0.000 1.024 122 V CB -0.398 31.424 31.823 -0.002 0.000 0.651 122 V HN 0.285 nan 8.190 nan 0.000 0.449 123 L N 0.035 121.246 121.223 -0.020 0.000 2.046 123 L HA -0.162 4.177 4.340 -0.000 0.000 0.208 123 L C 2.731 179.614 176.870 0.021 0.000 1.077 123 L CA 1.619 56.445 54.840 -0.023 0.000 0.747 123 L CB -0.808 41.203 42.059 -0.078 0.000 0.896 123 L HN 0.369 nan 8.230 nan 0.000 0.432 124 A N -0.837 122.017 122.820 0.058 0.000 1.933 124 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 124 A C 2.278 179.926 177.584 0.107 0.000 1.175 124 A CA 1.484 53.597 52.037 0.127 0.000 0.628 124 A CB -0.524 18.638 19.000 0.269 0.000 0.814 124 A HN 0.409 nan 8.150 nan 0.000 0.444 125 Q N -0.118 119.740 119.800 0.096 0.000 2.224 125 Q HA -0.052 4.288 4.340 -0.000 0.000 0.203 125 Q C 1.760 177.793 176.000 0.054 0.000 0.970 125 Q CA 1.493 57.341 55.803 0.075 0.000 0.865 125 Q CB -0.309 28.470 28.738 0.068 0.000 0.922 125 Q HN 0.567 nan 8.270 nan 0.000 0.445 126 A N -1.018 121.829 122.820 0.044 0.000 2.307 126 A HA 0.391 4.710 4.320 -0.000 0.000 0.218 126 A C 1.305 178.911 177.584 0.037 0.000 1.228 126 A CA 0.818 52.875 52.037 0.034 0.000 0.857 126 A CB -0.154 18.858 19.000 0.020 0.000 0.897 126 A HN 0.475 nan 8.150 nan 0.000 0.495 127 G N -1.399 107.429 108.800 0.046 0.000 2.157 127 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.248 127 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.248 127 G C 0.134 175.060 174.900 0.043 0.000 0.979 127 G CA 0.140 45.267 45.100 0.046 0.000 0.650 127 G HN 0.786 nan 8.290 nan 0.000 0.529 128 V N 3.156 123.096 119.914 0.042 0.000 2.432 128 V HA 0.419 4.539 4.120 -0.000 0.000 0.271 128 V C -1.060 175.062 176.094 0.047 0.000 1.046 128 V CA -1.312 61.012 62.300 0.040 0.000 0.945 128 V CB 1.301 33.139 31.823 0.024 0.000 0.992 128 V HN 0.278 nan 8.190 nan 0.000 0.471 129 P HA 0.218 nan 4.420 nan 0.000 0.267 129 P C -0.704 176.663 177.300 0.112 0.000 1.205 129 P CA 0.280 63.412 63.100 0.055 0.000 0.765 129 P CB 1.272 32.937 31.700 -0.059 0.000 0.828 130 V N 1.240 121.274 119.914 0.200 0.000 3.130 130 V HA 0.450 4.570 4.120 -0.000 0.000 0.310 130 V C -0.112 176.184 176.094 0.338 0.000 1.158 130 V CA -1.220 61.197 62.300 0.196 0.000 1.029 130 V CB 1.710 33.509 31.823 -0.039 0.000 1.057 130 V HN 0.206 nan 8.190 nan 0.000 0.436 131 V N 2.805 122.844 119.914 0.208 0.000 2.585 131 V HA 0.211 4.331 4.120 -0.000 0.000 0.296 131 V C -1.939 174.253 176.094 0.164 0.000 1.035 131 V CA -0.670 61.656 62.300 0.045 0.000 1.084 131 V CB 0.343 32.142 31.823 -0.042 0.000 0.953 131 V HN 0.913 nan 8.190 nan 0.000 0.483 132 P HA 0.080 nan 4.420 nan 0.000 0.264 132 P C -0.736 176.622 177.300 0.096 0.000 1.183 132 P CA 0.400 63.529 63.100 0.048 0.000 0.763 132 P CB 0.237 31.767 31.700 -0.283 0.000 0.807 133 W N 2.040 123.360 121.300 0.033 0.000 2.959 133 W HA 0.700 5.359 4.660 -0.000 0.000 0.358 133 W C -2.603 174.083 176.519 0.279 0.000 1.228 133 W CA -0.889 56.579 57.345 0.204 0.000 1.183 133 W CB 0.729 30.249 29.460 0.099 0.000 1.467 133 W HN 0.303 nan 8.180 nan 0.000 0.578 134 V N 1.723 121.541 119.914 -0.159 0.000 3.087 134 V HA 0.832 4.952 4.120 -0.000 0.000 0.306 134 V C -0.952 175.122 176.094 -0.033 0.000 1.187 134 V CA -0.475 61.614 62.300 -0.350 0.000 0.999 134 V CB 1.879 33.565 31.823 -0.228 0.000 1.049 134 V HN 1.274 nan 8.190 nan 0.000 0.431 135 A N 4.358 127.170 122.820 -0.012 0.000 2.312 135 A HA 0.883 5.203 4.320 -0.000 0.000 0.326 135 A C -1.089 176.541 177.584 0.077 0.000 1.172 135 A CA -0.465 51.649 52.037 0.127 0.000 0.821 135 A CB 1.507 20.615 19.000 0.181 0.000 1.166 135 A HN 1.006 nan 8.150 nan 0.000 0.493 136 V N 2.802 122.791 119.914 0.125 0.000 2.588 136 V HA 0.513 4.633 4.120 -0.000 0.000 0.304 136 V C -0.056 176.220 176.094 0.302 0.000 1.042 136 V CA -0.655 61.745 62.300 0.166 0.000 0.877 136 V CB 1.771 33.685 31.823 0.152 0.000 0.996 136 V HN 0.989 nan 8.190 nan 0.000 0.425 137 R N 2.020 122.650 120.500 0.216 0.000 2.589 137 R HA 0.465 4.804 4.340 -0.000 0.000 0.293 137 R C -0.261 175.951 176.300 -0.146 0.000 0.963 137 R CA -0.975 55.184 56.100 0.100 0.000 0.905 137 R CB 1.987 32.298 30.300 0.018 0.000 1.144 137 R HN 0.665 nan 8.270 nan 0.000 0.459 138 K N 0.972 120.901 120.400 -0.785 0.000 2.491 138 K HA -0.081 4.239 4.320 -0.000 0.000 0.279 138 K C 0.643 176.988 176.600 -0.426 0.000 1.026 138 K CA 1.545 57.115 56.287 -1.194 0.000 1.070 138 K CB 0.095 31.895 32.500 -1.168 0.000 0.887 138 K HN 0.824 nan 8.250 nan 0.000 0.481 139 G N 3.052 111.703 108.800 -0.248 0.000 2.234 139 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.235 139 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.235 139 G C -0.312 174.562 174.900 -0.043 0.000 0.997 139 G CA 0.013 45.048 45.100 -0.109 0.000 0.623 139 G HN 0.665 nan 8.290 nan 0.000 0.514 140 E N 1.668 121.854 120.200 -0.022 0.000 2.259 140 E HA 0.414 4.764 4.350 -0.000 0.000 0.281 140 E C -2.510 174.114 176.600 0.040 0.000 1.027 140 E CA -1.743 54.664 56.400 0.011 0.000 0.838 140 E CB 1.157 30.870 29.700 0.021 0.000 1.066 140 E HN 0.108 nan 8.360 nan 0.000 0.401 141 P HA 0.114 nan 4.420 nan 0.000 0.270 141 P C -2.460 174.852 177.300 0.020 0.000 1.242 141 P CA -1.032 62.082 63.100 0.023 0.000 0.768 141 P CB -0.005 31.695 31.700 0.001 0.000 0.820 142 P HA -0.007 nan 4.420 nan 0.000 0.262 142 P C -0.715 176.569 177.300 -0.028 0.000 1.182 142 P CA 0.462 63.571 63.100 0.015 0.000 0.761 142 P CB 0.376 32.098 31.700 0.037 0.000 0.795 143 V N 5.055 124.931 119.914 -0.063 0.000 2.340 143 V HA 0.160 4.280 4.120 -0.000 0.000 0.277 143 V C -0.092 175.908 176.094 -0.156 0.000 1.017 143 V CA -0.529 61.714 62.300 -0.095 0.000 0.820 143 V CB 1.624 33.397 31.823 -0.083 0.000 1.028 143 V HN 0.213 nan 8.190 nan 0.000 0.436 144 V N 7.528 127.338 119.914 -0.172 0.000 2.347 144 V HA 0.339 4.459 4.120 -0.000 0.000 0.280 144 V C -0.649 175.270 176.094 -0.291 0.000 1.021 144 V CA -1.028 61.049 62.300 -0.372 0.000 0.847 144 V CB 1.873 33.409 31.823 -0.480 0.000 0.990 144 V HN 0.682 nan 8.190 nan 0.000 0.444 145 P HA 0.008 nan 4.420 nan 0.000 0.229 145 P C 0.064 177.398 177.300 0.058 0.000 1.160 145 P CA 0.739 63.792 63.100 -0.079 0.000 0.777 145 P CB 0.166 31.873 31.700 0.012 0.000 0.814 146 F N -0.974 119.056 119.950 0.133 0.000 2.556 146 F HA 0.697 5.223 4.527 -0.000 0.000 0.327 146 F C -0.042 175.941 175.800 0.304 0.000 1.059 146 F CA -1.834 56.270 58.000 0.173 0.000 0.953 146 F CB 0.163 39.240 39.000 0.130 0.000 1.227 146 F HN -0.398 nan 8.300 nan 0.000 0.478 147 D N 1.139 121.796 120.400 0.429 0.000 2.348 147 D HA 0.406 5.046 4.640 -0.000 0.000 0.249 147 D C -2.360 174.013 176.300 0.121 0.000 1.110 147 D CA -1.555 52.612 54.000 0.280 0.000 0.967 147 D CB 0.961 41.871 40.800 0.183 0.000 1.139 147 D HN 0.272 nan 8.370 nan 0.000 0.466 148 P HA 0.184 nan 4.420 nan 0.000 0.274 148 P C -2.408 174.693 177.300 -0.331 0.000 1.260 148 P CA -0.731 61.897 63.100 -0.787 0.000 0.793 148 P CB -0.097 30.994 31.700 -1.016 0.000 1.048 149 P HA 0.296 nan 4.420 nan 0.000 0.282 149 P C -1.331 175.735 177.300 -0.389 0.000 1.249 149 P CA 0.119 62.903 63.100 -0.526 0.000 0.806 149 P CB 0.447 31.910 31.700 -0.395 0.000 0.984 150 F N -0.772 119.021 119.950 -0.262 0.000 2.662 150 F HA 0.631 5.158 4.527 -0.000 0.000 0.312 150 F C -1.363 174.254 175.800 -0.305 0.000 1.113 150 F CA -2.041 55.859 58.000 -0.166 0.000 0.951 150 F CB 0.463 39.554 39.000 0.151 0.000 1.344 150 F HN -0.000 nan 8.300 nan 0.000 0.462 151 F N 1.244 121.368 119.950 0.290 0.000 2.421 151 F HA 0.690 5.217 4.527 -0.000 0.000 0.337 151 F C -0.142 175.739 175.800 0.134 0.000 1.105 151 F CA -1.064 57.026 58.000 0.150 0.000 1.049 151 F CB 1.937 40.972 39.000 0.058 0.000 1.139 151 F HN 0.300 nan 8.300 nan 0.000 0.479 152 V N 4.165 124.238 119.914 0.264 0.000 2.459 152 V HA 0.600 4.719 4.120 -0.000 0.000 0.295 152 V C -0.584 175.565 176.094 0.091 0.000 1.029 152 V CA -0.846 61.525 62.300 0.118 0.000 0.874 152 V CB 1.692 33.541 31.823 0.043 0.000 0.985 152 V HN 0.804 nan 8.190 nan 0.000 0.438 153 K N 4.820 125.248 120.400 0.046 0.000 2.568 153 K HA 0.596 4.916 4.320 -0.000 0.000 0.273 153 K C -3.312 173.295 176.600 0.013 0.000 0.951 153 K CA -1.819 54.479 56.287 0.019 0.000 0.854 153 K CB 2.415 34.928 32.500 0.021 0.000 1.424 153 K HN 0.310 nan 8.250 nan 0.000 0.427 154 P HA -0.044 nan 4.420 nan 0.000 0.269 154 P C 0.157 177.487 177.300 0.050 0.000 1.209 154 P CA -0.068 63.068 63.100 0.060 0.000 0.776 154 P CB 0.957 32.710 31.700 0.089 0.000 0.876 155 A N 2.407 125.273 122.820 0.077 0.000 2.239 155 A HA -0.069 4.251 4.320 -0.000 0.000 0.209 155 A C 0.943 178.544 177.584 0.028 0.000 1.171 155 A CA 0.121 52.194 52.037 0.060 0.000 0.768 155 A CB -1.174 17.878 19.000 0.088 0.000 0.790 155 A HN 0.689 nan 8.150 nan 0.000 0.478 156 N N 0.859 119.572 118.700 0.021 0.000 2.415 156 N HA 0.064 4.804 4.740 -0.000 0.000 0.246 156 N C -0.800 174.697 175.510 -0.022 0.000 1.078 156 N CA 0.017 53.068 53.050 0.001 0.000 0.942 156 N CB 0.040 38.530 38.487 0.005 0.000 1.140 156 N HN -0.024 nan 8.380 nan 0.000 0.501 157 T N 1.905 116.440 114.554 -0.033 0.000 2.819 157 T HA 0.200 4.550 4.350 -0.000 0.000 0.282 157 T C 1.463 176.131 174.700 -0.054 0.000 1.013 157 T CA 1.471 63.539 62.100 -0.054 0.000 1.159 157 T CB -0.089 68.743 68.868 -0.060 0.000 1.007 157 T HN 0.844 nan 8.240 nan 0.000 0.514 158 G N 2.857 111.614 108.800 -0.071 0.000 2.217 158 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.246 158 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.246 158 G C 0.500 175.356 174.900 -0.073 0.000 0.990 158 G CA 0.257 45.313 45.100 -0.073 0.000 0.627 158 G HN 1.066 nan 8.290 nan 0.000 0.522 159 S N 0.515 116.172 115.700 -0.071 0.000 2.558 159 S HA 0.404 4.874 4.470 -0.000 0.000 0.291 159 S C 1.529 176.062 174.600 -0.111 0.000 1.306 159 S CA 1.266 59.412 58.200 -0.091 0.000 1.056 159 S CB 0.659 63.801 63.200 -0.097 0.000 0.836 159 S HN 1.689 nan 8.310 nan 0.000 0.504 160 S N 2.431 118.054 115.700 -0.128 0.000 2.650 160 S HA 0.378 4.848 4.470 -0.000 0.000 0.240 160 S C 0.019 174.516 174.600 -0.173 0.000 1.007 160 S CA -0.022 58.103 58.200 -0.125 0.000 0.984 160 S CB -0.289 62.856 63.200 -0.091 0.000 0.910 160 S HN 1.042 nan 8.310 nan 0.000 0.509 161 V N -3.205 116.538 119.914 -0.285 0.000 2.962 161 V HA 0.937 5.057 4.120 -0.000 0.000 0.313 161 V C 0.910 176.603 176.094 -0.669 0.000 1.099 161 V CA -0.150 61.853 62.300 -0.494 0.000 0.971 161 V CB 0.623 32.018 31.823 -0.714 0.000 1.028 161 V HN 0.813 nan 8.190 nan 0.000 0.430 162 G N 2.160 110.595 108.800 -0.607 0.000 2.159 162 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.256 162 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.256 162 G C -0.098 174.756 174.900 -0.075 0.000 0.977 162 G CA 0.378 45.323 45.100 -0.258 0.000 0.652 162 G HN 1.015 nan 8.290 nan 0.000 0.531 163 I N 1.174 121.695 120.570 -0.082 0.000 2.472 163 I HA 0.559 4.729 4.170 -0.000 0.000 0.290 163 I C 0.297 176.449 176.117 0.059 0.000 1.016 163 I CA -0.269 61.034 61.300 0.006 0.000 1.348 163 I CB 1.722 39.719 38.000 -0.005 0.000 1.417 163 I HN 0.071 nan 8.210 nan 0.000 0.521 164 S N 4.866 120.636 115.700 0.117 0.000 2.546 164 S HA 0.411 4.881 4.470 -0.000 0.000 0.272 164 S C -0.743 173.929 174.600 0.119 0.000 1.140 164 S CA -0.784 57.475 58.200 0.098 0.000 0.920 164 S CB 2.200 65.429 63.200 0.048 0.000 1.083 164 S HN 0.559 nan 8.310 nan 0.000 0.476 165 R N 2.250 122.759 120.500 0.015 0.000 2.229 165 R HA 0.625 4.965 4.340 -0.000 0.000 0.328 165 R C -0.743 175.414 176.300 -0.239 0.000 1.009 165 R CA -0.408 55.517 56.100 -0.291 0.000 0.864 165 R CB 0.788 30.847 30.300 -0.403 0.000 1.085 165 R HN 0.523 nan 8.270 nan 0.000 0.453 166 V N 2.940 122.688 119.914 -0.277 0.000 2.555 166 V HA 0.379 4.499 4.120 -0.000 0.000 0.302 166 V C 0.004 175.792 176.094 -0.511 0.000 1.038 166 V CA -0.250 61.876 62.300 -0.291 0.000 0.887 166 V CB 1.913 33.645 31.823 -0.152 0.000 0.991 166 V HN 0.997 nan 8.190 nan 0.000 0.434 167 E N 4.005 123.968 120.200 -0.395 0.000 2.447 167 E HA 0.311 4.660 4.350 -0.000 0.000 0.204 167 E C -0.021 176.345 176.600 -0.391 0.000 0.977 167 E CA -0.034 56.128 56.400 -0.396 0.000 0.950 167 E CB 0.692 30.242 29.700 -0.249 0.000 0.975 167 E HN 0.705 nan 8.360 nan 0.000 0.496 168 R N -0.679 119.614 120.500 -0.344 0.000 2.725 168 R HA 0.317 4.657 4.340 -0.000 0.000 0.277 168 R C -0.156 176.023 176.300 -0.201 0.000 0.987 168 R CA -0.556 55.403 56.100 -0.236 0.000 0.901 168 R CB 0.872 31.114 30.300 -0.096 0.000 1.207 168 R HN -0.074 nan 8.270 nan 0.000 0.463 169 F N 1.610 121.528 119.950 -0.052 0.000 2.216 169 F HA -0.220 4.307 4.527 -0.000 0.000 0.300 169 F C 2.536 178.351 175.800 0.025 0.000 1.085 169 F CA 1.646 59.665 58.000 0.031 0.000 1.326 169 F CB 0.200 39.222 39.000 0.036 0.000 1.027 169 F HN 0.588 nan 8.300 nan 0.000 0.497 170 Q N -0.596 119.306 119.800 0.170 0.000 2.437 170 Q HA -0.157 4.183 4.340 -0.000 0.000 0.210 170 Q C 0.478 176.516 176.000 0.064 0.000 0.972 170 Q CA 1.485 57.349 55.803 0.101 0.000 0.903 170 Q CB -0.282 28.493 28.738 0.061 0.000 0.967 170 Q HN 0.325 nan 8.270 nan 0.000 0.486 171 D N 0.213 120.637 120.400 0.039 0.000 2.369 171 D HA 0.030 4.669 4.640 -0.000 0.000 0.211 171 D C 1.473 177.798 176.300 0.042 0.000 1.077 171 D CA -0.067 53.943 54.000 0.016 0.000 0.842 171 D CB 0.416 41.196 40.800 -0.033 0.000 0.947 171 D HN 0.189 nan 8.370 nan 0.000 0.509 172 L N 1.563 122.841 121.223 0.092 0.000 2.027 172 L HA -0.100 4.240 4.340 -0.000 0.000 0.206 172 L C 2.124 179.043 176.870 0.080 0.000 1.074 172 L CA 1.832 56.749 54.840 0.127 0.000 0.745 172 L CB -0.382 41.812 42.059 0.224 0.000 0.898 172 L HN -0.074 nan 8.230 nan 0.000 0.433 173 E N -0.515 119.736 120.200 0.086 0.000 2.085 173 E HA -0.268 4.081 4.350 -0.000 0.000 0.194 173 E C 2.012 178.644 176.600 0.054 0.000 0.994 173 E CA 1.310 57.754 56.400 0.073 0.000 0.801 173 E CB -0.174 29.571 29.700 0.074 0.000 0.743 173 E HN 0.624 nan 8.360 nan 0.000 0.453 174 A N 0.984 123.831 122.820 0.044 0.000 1.930 174 A HA 0.005 4.325 4.320 -0.000 0.000 0.217 174 A C 2.366 179.963 177.584 0.022 0.000 1.175 174 A CA 1.532 53.590 52.037 0.035 0.000 0.627 174 A CB -0.613 18.405 19.000 0.029 0.000 0.815 174 A HN 0.417 nan 8.150 nan 0.000 0.443 175 A N -0.640 122.187 122.820 0.013 0.000 1.898 175 A HA 0.021 4.340 4.320 -0.000 0.000 0.216 175 A C 2.003 179.543 177.584 -0.072 0.000 1.181 175 A CA 1.599 53.634 52.037 -0.003 0.000 0.620 175 A CB -0.479 18.532 19.000 0.019 0.000 0.819 175 A HN 0.379 nan 8.150 nan 0.000 0.442 176 L N -0.355 120.794 121.223 -0.124 0.000 2.056 176 L HA -0.083 4.257 4.340 -0.000 0.000 0.207 176 L C 2.968 179.642 176.870 -0.325 0.000 1.078 176 L CA 1.846 56.461 54.840 -0.376 0.000 0.749 176 L CB -1.304 40.598 42.059 -0.262 0.000 0.901 176 L HN 0.407 nan 8.230 nan 0.000 0.433 177 A N -0.877 121.937 122.820 -0.010 0.000 1.908 177 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 177 A C 2.265 179.903 177.584 0.090 0.000 1.181 177 A CA 1.970 54.081 52.037 0.124 0.000 0.627 177 A CB -0.822 18.238 19.000 0.101 0.000 0.818 177 A HN 0.384 nan 8.150 nan 0.000 0.445 178 L N -0.400 120.851 121.223 0.048 0.000 2.027 178 L HA 0.033 4.373 4.340 -0.000 0.000 0.206 178 L C 2.621 179.595 176.870 0.174 0.000 1.074 178 L CA 2.251 57.152 54.840 0.102 0.000 0.745 178 L CB -0.866 41.255 42.059 0.104 0.000 0.898 178 L HN 0.305 nan 8.230 nan 0.000 0.433 179 A N -0.871 121.984 122.820 0.058 0.000 1.933 179 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 179 A C 1.967 179.647 177.584 0.161 0.000 1.175 179 A CA 1.669 53.753 52.037 0.079 0.000 0.628 179 A CB -1.065 17.842 19.000 -0.156 0.000 0.814 179 A HN 0.480 nan 8.150 nan 0.000 0.444 180 F N 0.191 120.204 119.950 0.106 0.000 2.641 180 F HA -0.003 4.524 4.527 -0.000 0.000 0.298 180 F C 2.217 178.010 175.800 -0.012 0.000 1.146 180 F CA 0.549 58.580 58.000 0.051 0.000 1.464 180 F CB -0.368 38.649 39.000 0.028 0.000 1.101 180 F HN 0.214 nan 8.300 nan 0.000 0.585 181 R N -1.750 118.792 120.500 0.070 0.000 2.299 181 R HA -0.040 4.300 4.340 -0.000 0.000 0.197 181 R C 0.894 176.963 176.300 -0.386 0.000 0.971 181 R CA 0.770 56.739 56.100 -0.218 0.000 1.030 181 R CB -0.167 29.874 30.300 -0.432 0.000 0.932 181 R HN 0.315 nan 8.270 nan 0.000 0.477 182 Y N -0.907 119.439 120.300 0.076 0.000 2.535 182 Y HA 0.254 4.804 4.550 -0.000 0.000 0.264 182 Y C 0.417 176.349 175.900 0.053 0.000 1.087 182 Y CA -0.356 57.772 58.100 0.045 0.000 1.285 182 Y CB 0.879 39.356 38.460 0.028 0.000 1.200 182 Y HN -0.136 nan 8.280 nan 0.000 0.514 183 D N -0.669 119.874 120.400 0.237 0.000 2.803 183 D HA 0.080 4.719 4.640 -0.000 0.000 0.218 183 D C -0.255 176.189 176.300 0.240 0.000 1.245 183 D CA -0.113 53.997 54.000 0.184 0.000 0.821 183 D CB 2.076 42.976 40.800 0.166 0.000 1.626 183 D HN -0.057 nan 8.370 nan 0.000 0.487 184 E N 1.356 121.642 120.200 0.143 0.000 2.478 184 E HA -0.006 4.344 4.350 -0.000 0.000 0.198 184 E C -0.085 176.604 176.600 0.148 0.000 1.046 184 E CA 0.786 57.230 56.400 0.074 0.000 0.870 184 E CB 0.223 29.915 29.700 -0.013 0.000 0.818 184 E HN 0.245 nan 8.360 nan 0.000 0.527 185 K N -0.599 119.950 120.400 0.248 0.000 2.371 185 K HA 0.683 5.003 4.320 -0.000 0.000 0.251 185 K C -1.492 175.283 176.600 0.292 0.000 0.934 185 K CA -0.728 55.730 56.287 0.284 0.000 0.798 185 K CB 1.678 34.275 32.500 0.162 0.000 1.204 185 K HN -0.008 nan 8.250 nan 0.000 0.427 186 A N 2.059 125.047 122.820 0.280 0.000 2.485 186 A HA 0.755 5.075 4.320 -0.000 0.000 0.292 186 A C -1.140 176.515 177.584 0.119 0.000 1.147 186 A CA -0.689 51.413 52.037 0.110 0.000 0.750 186 A CB 1.476 20.402 19.000 -0.124 0.000 1.331 186 A HN 0.564 nan 8.150 nan 0.000 0.419 187 V N -1.788 118.189 119.914 0.106 0.000 2.914 187 V HA 0.863 4.983 4.120 -0.000 0.000 0.314 187 V C -0.833 175.341 176.094 0.134 0.000 1.084 187 V CA -0.775 61.636 62.300 0.185 0.000 0.963 187 V CB 1.444 33.421 31.823 0.257 0.000 1.025 187 V HN 0.734 nan 8.190 nan 0.000 0.432 188 V N 3.111 123.114 119.914 0.149 0.000 2.350 188 V HA 0.504 4.624 4.120 -0.000 0.000 0.285 188 V C -0.166 176.113 176.094 0.308 0.000 1.014 188 V CA -0.280 62.055 62.300 0.058 0.000 0.831 188 V CB 1.041 32.693 31.823 -0.285 0.000 1.000 188 V HN 1.035 nan 8.190 nan 0.000 0.433 189 E N 3.008 123.402 120.200 0.323 0.000 2.166 189 E HA 0.414 4.764 4.350 -0.000 0.000 0.275 189 E C -0.665 176.087 176.600 0.254 0.000 0.941 189 E CA -1.187 55.396 56.400 0.306 0.000 0.784 189 E CB 2.173 32.017 29.700 0.239 0.000 1.115 189 E HN 0.382 nan 8.360 nan 0.000 0.399 190 K N 1.991 122.306 120.400 -0.142 0.000 2.472 190 K HA 0.081 4.401 4.320 -0.000 0.000 0.280 190 K C -0.800 175.780 176.600 -0.034 0.000 1.028 190 K CA 0.034 56.193 56.287 -0.213 0.000 1.045 190 K CB 0.381 32.458 32.500 -0.705 0.000 0.902 190 K HN 0.572 nan 8.250 nan 0.000 0.478 191 A N 4.846 127.683 122.820 0.028 0.000 2.409 191 A HA 0.415 4.735 4.320 -0.000 0.000 0.262 191 A C -0.949 176.583 177.584 -0.087 0.000 1.113 191 A CA -0.468 51.572 52.037 0.005 0.000 0.790 191 A CB 0.023 18.883 19.000 -0.234 0.000 1.046 191 A HN 0.541 nan 8.150 nan 0.000 0.496 192 L N 1.992 123.140 121.223 -0.125 0.000 2.322 192 L HA 0.707 5.047 4.340 -0.000 0.000 0.281 192 L C 0.329 177.130 176.870 -0.114 0.000 1.014 192 L CA 0.324 55.064 54.840 -0.167 0.000 0.815 192 L CB 1.682 43.571 42.059 -0.284 0.000 1.247 192 L HN 0.693 nan 8.230 nan 0.000 0.421 193 S N 3.546 119.202 115.700 -0.073 0.000 2.562 193 S HA 0.805 5.275 4.470 -0.000 0.000 0.274 193 S C -2.632 171.953 174.600 -0.025 0.000 1.160 193 S CA -0.814 57.360 58.200 -0.044 0.000 0.933 193 S CB 1.206 64.383 63.200 -0.038 0.000 1.100 193 S HN 0.573 nan 8.310 nan 0.000 0.468 194 P HA 0.697 nan 4.420 nan 0.000 0.278 194 P C -0.872 176.426 177.300 -0.003 0.000 1.258 194 P CA -0.535 62.563 63.100 -0.004 0.000 0.811 194 P CB 0.957 32.663 31.700 0.011 0.000 1.063 195 V N -2.001 117.912 119.914 -0.002 0.000 3.078 195 V HA 0.720 4.839 4.120 -0.000 0.000 0.311 195 V C -0.594 175.550 176.094 0.083 0.000 1.138 195 V CA -1.182 61.134 62.300 0.026 0.000 1.007 195 V CB 2.179 33.956 31.823 -0.076 0.000 1.045 195 V HN 0.531 nan 8.190 nan 0.000 0.432 196 R N 0.794 121.377 120.500 0.139 0.000 2.637 196 R HA 0.621 4.961 4.340 -0.000 0.000 0.291 196 R C -0.913 175.512 176.300 0.209 0.000 0.963 196 R CA -0.595 55.587 56.100 0.138 0.000 0.901 196 R CB 2.391 32.749 30.300 0.098 0.000 1.160 196 R HN 0.838 nan 8.270 nan 0.000 0.457 197 E N 3.151 123.454 120.200 0.172 0.000 2.134 197 E HA 0.310 4.660 4.350 -0.000 0.000 0.278 197 E C -0.764 175.889 176.600 0.090 0.000 0.959 197 E CA -0.360 56.134 56.400 0.157 0.000 0.783 197 E CB 1.391 31.166 29.700 0.125 0.000 1.095 197 E HN 0.220 nan 8.360 nan 0.000 0.399 198 L N 2.768 124.046 121.223 0.092 0.000 2.346 198 L HA 0.499 4.839 4.340 -0.000 0.000 0.274 198 L C -0.178 176.749 176.870 0.096 0.000 1.007 198 L CA -0.675 54.201 54.840 0.060 0.000 0.818 198 L CB 1.752 43.821 42.059 0.017 0.000 1.284 198 L HN 0.454 nan 8.230 nan 0.000 0.424 199 E N 1.882 122.113 120.200 0.052 0.000 2.293 199 E HA 0.621 4.971 4.350 -0.000 0.000 0.270 199 E C -1.551 175.068 176.600 0.032 0.000 0.879 199 E CA -0.662 55.783 56.400 0.075 0.000 0.756 199 E CB 3.655 33.376 29.700 0.036 0.000 1.208 199 E HN 0.222 nan 8.360 nan 0.000 0.428 200 V N 1.542 121.501 119.914 0.076 0.000 2.760 200 V HA 0.718 4.838 4.120 -0.000 0.000 0.309 200 V C -0.334 175.780 176.094 0.034 0.000 1.077 200 V CA -0.335 61.958 62.300 -0.011 0.000 0.910 200 V CB 1.890 33.691 31.823 -0.037 0.000 1.008 200 V HN 0.752 nan 8.190 nan 0.000 0.424 201 G N 4.253 112.989 108.800 -0.106 0.000 2.448 201 G HA2 0.593 4.553 3.960 -0.000 0.000 0.285 201 G HA3 0.593 4.553 3.960 -0.000 0.000 0.285 201 G C -1.116 173.883 174.900 0.166 0.000 1.176 201 G CA -0.389 44.767 45.100 0.094 0.000 0.852 201 G HN 0.949 nan 8.290 nan 0.000 0.530 202 V N 1.436 121.643 119.914 0.489 0.000 2.760 202 V HA 0.569 4.689 4.120 -0.000 0.000 0.309 202 V C -0.869 175.385 176.094 0.267 0.000 1.077 202 V CA -0.723 61.687 62.300 0.183 0.000 0.910 202 V CB 1.755 33.314 31.823 -0.441 0.000 1.008 202 V HN 0.716 nan 8.190 nan 0.000 0.424 203 L N 3.635 124.922 121.223 0.108 0.000 2.410 203 L HA 1.046 5.386 4.340 -0.000 0.000 0.270 203 L C -0.069 176.798 176.870 -0.004 0.000 0.983 203 L CA 0.898 55.726 54.840 -0.021 0.000 0.822 203 L CB 1.683 43.507 42.059 -0.391 0.000 1.285 203 L HN 1.101 nan 8.230 nan 0.000 0.409 204 G N 2.811 111.661 108.800 0.083 0.000 2.347 204 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.477 204 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.477 204 G C -1.753 173.293 174.900 0.243 0.000 1.349 204 G CA -1.041 44.134 45.100 0.125 0.000 1.000 204 G HN 0.622 nan 8.290 nan 0.000 0.605 205 N N 0.732 119.549 118.700 0.195 0.000 2.439 205 N HA 0.503 5.242 4.740 -0.000 0.000 0.249 205 N C 1.512 177.164 175.510 0.237 0.000 1.003 205 N CA 0.533 53.689 53.050 0.175 0.000 0.942 205 N CB 1.496 40.037 38.487 0.090 0.000 1.115 205 N HN 1.239 nan 8.380 nan 0.000 0.505 206 V N 1.031 121.063 119.914 0.197 0.000 0.532 206 V HA -0.368 3.752 4.120 -0.000 0.000 0.092 206 V C 0.111 176.217 176.094 0.020 0.000 2.164 206 V CA 1.660 63.991 62.300 0.051 0.000 3.538 206 V CB -1.306 30.530 31.823 0.023 0.000 0.829 206 V HN 0.558 nan 8.190 nan 0.000 0.866 207 F N 1.761 121.819 119.950 0.179 0.000 2.313 207 F HA 0.712 5.238 4.527 -0.000 0.000 0.369 207 F C 0.832 176.692 175.800 0.100 0.000 1.109 207 F CA 0.369 58.446 58.000 0.129 0.000 1.132 207 F CB 1.126 40.170 39.000 0.075 0.000 1.291 207 F HN 0.265 nan 8.300 nan 0.000 0.496 208 G N 1.792 110.671 108.800 0.132 0.000 2.705 208 G HA2 0.479 4.439 3.960 -0.000 0.000 0.299 208 G HA3 0.479 4.439 3.960 -0.000 0.000 0.299 208 G C -1.465 173.446 174.900 0.018 0.000 1.315 208 G CA -0.609 44.495 45.100 0.008 0.000 1.045 208 G HN 0.461 nan 8.290 nan 0.000 0.517 209 E N -0.562 119.654 120.200 0.026 0.000 2.166 209 E HA 0.571 4.921 4.350 -0.000 0.000 0.275 209 E C -0.323 176.351 176.600 0.124 0.000 0.941 209 E CA -0.801 55.649 56.400 0.084 0.000 0.784 209 E CB 1.551 31.324 29.700 0.122 0.000 1.115 209 E HN 0.567 nan 8.360 nan 0.000 0.399 210 A N 3.011 125.862 122.820 0.051 0.000 2.303 210 A HA 0.500 4.820 4.320 -0.000 0.000 0.317 210 A C 0.046 177.533 177.584 -0.161 0.000 1.149 210 A CA -0.444 51.573 52.037 -0.034 0.000 0.822 210 A CB 1.158 20.117 19.000 -0.068 0.000 1.131 210 A HN 0.723 nan 8.150 nan 0.000 0.493 211 S N 1.776 117.178 115.700 -0.497 0.000 2.713 211 S HA 0.716 5.186 4.470 -0.000 0.000 0.277 211 S C -2.732 171.626 174.600 -0.403 0.000 1.168 211 S CA -1.224 56.512 58.200 -0.773 0.000 0.994 211 S CB 0.387 62.670 63.200 -1.529 0.000 1.054 211 S HN 0.436 nan 8.310 nan 0.000 0.555 212 P HA 0.310 nan 4.420 nan 0.000 0.274 212 P C -1.006 176.168 177.300 -0.210 0.000 1.246 212 P CA -0.612 62.360 63.100 -0.213 0.000 0.795 212 P CB 0.371 31.969 31.700 -0.170 0.000 1.006 213 V N 1.068 120.887 119.914 -0.158 0.000 2.607 213 V HA 0.567 4.687 4.120 -0.000 0.000 0.289 213 V C 0.959 176.989 176.094 -0.106 0.000 1.053 213 V CA 0.163 62.380 62.300 -0.137 0.000 0.996 213 V CB 0.729 32.469 31.823 -0.138 0.000 0.995 213 V HN 0.734 nan 8.190 nan 0.000 0.476 214 G N 2.759 111.508 108.800 -0.084 0.000 2.498 214 G HA2 0.682 4.641 3.960 -0.000 0.000 0.312 214 G HA3 0.682 4.641 3.960 -0.000 0.000 0.312 214 G C -1.264 173.617 174.900 -0.031 0.000 1.230 214 G CA -0.441 44.623 45.100 -0.059 0.000 0.968 214 G HN 0.695 nan 8.290 nan 0.000 0.481 215 E N -0.178 120.011 120.200 -0.017 0.000 2.288 215 E HA 0.560 4.910 4.350 -0.000 0.000 0.268 215 E C -1.297 175.312 176.600 0.016 0.000 0.885 215 E CA -0.686 55.717 56.400 0.005 0.000 0.767 215 E CB 2.533 32.237 29.700 0.007 0.000 1.220 215 E HN 0.231 nan 8.360 nan 0.000 0.427 216 V N 4.224 124.158 119.914 0.034 0.000 2.398 216 V HA 0.509 4.628 4.120 -0.000 0.000 0.286 216 V C 0.011 176.145 176.094 0.066 0.000 1.026 216 V CA -0.588 61.738 62.300 0.044 0.000 0.868 216 V CB 1.365 33.215 31.823 0.045 0.000 0.982 216 V HN 0.630 nan 8.190 nan 0.000 0.443 217 R N 2.648 123.189 120.500 0.069 0.000 2.670 217 R HA 0.496 4.836 4.340 -0.000 0.000 0.289 217 R C -1.670 174.711 176.300 0.135 0.000 0.965 217 R CA -0.792 55.361 56.100 0.088 0.000 0.899 217 R CB 2.751 33.080 30.300 0.047 0.000 1.173 217 R HN 0.757 nan 8.270 nan 0.000 0.456 218 Y N 1.721 122.033 120.300 0.020 0.000 2.352 218 Y HA 0.279 4.829 4.550 -0.000 0.000 0.339 218 Y C -0.771 175.144 175.900 0.025 0.000 0.992 218 Y CA -0.532 57.581 58.100 0.022 0.000 1.100 218 Y CB 1.484 39.959 38.460 0.024 0.000 1.192 218 Y HN 0.366 nan 8.280 nan 0.000 0.458 219 E N 5.002 124.804 120.200 -0.663 0.000 2.155 219 E HA 0.436 4.786 4.350 -0.000 0.000 0.264 219 E C -0.843 175.228 176.600 -0.881 0.000 0.886 219 E CA -0.619 55.455 56.400 -0.543 0.000 0.752 219 E CB 1.708 31.270 29.700 -0.229 0.000 1.133 219 E HN 0.815 nan 8.360 nan 0.000 0.414 220 A N 4.748 127.164 122.820 -0.674 0.000 2.386 220 A HA 0.480 4.800 4.320 -0.000 0.000 0.248 220 A C -2.148 175.420 177.584 -0.028 0.000 1.082 220 A CA -0.992 50.846 52.037 -0.332 0.000 0.789 220 A CB -0.213 18.810 19.000 0.038 0.000 1.025 220 A HN 0.276 nan 8.150 nan 0.000 0.490 221 P HA 0.500 nan 4.420 nan 0.000 0.272 221 P C -0.764 176.620 177.300 0.140 0.000 1.223 221 P CA 0.215 63.300 63.100 -0.025 0.000 0.784 221 P CB 0.318 32.065 31.700 0.079 0.000 0.923 222 F N -0.966 118.914 119.950 -0.117 0.000 2.741 222 F HA 0.544 5.071 4.527 -0.000 0.000 0.313 222 F C -2.000 173.798 175.800 -0.003 0.000 1.153 222 F CA -1.422 56.569 58.000 -0.016 0.000 0.931 222 F CB 0.901 39.874 39.000 -0.046 0.000 1.335 222 F HN 0.126 nan 8.300 nan 0.000 0.460 223 Y N 2.428 122.809 120.300 0.135 0.000 2.385 223 Y HA 0.297 4.847 4.550 -0.000 0.000 0.341 223 Y C -0.207 175.732 175.900 0.065 0.000 0.965 223 Y CA -0.424 57.690 58.100 0.023 0.000 1.180 223 Y CB 0.363 38.841 38.460 0.029 0.000 1.139 223 Y HN 0.724 nan 8.280 nan 0.000 0.502 224 D N 3.498 123.857 120.400 -0.068 0.000 2.255 224 D HA -0.020 4.620 4.640 -0.000 0.000 0.249 224 D C 0.539 176.865 176.300 0.042 0.000 1.078 224 D CA -0.021 54.035 54.000 0.094 0.000 0.896 224 D CB 0.975 41.843 40.800 0.113 0.000 1.194 224 D HN 0.627 nan 8.370 nan 0.000 0.429 225 Y N 1.913 122.300 120.300 0.145 0.000 2.181 225 Y HA -0.208 4.341 4.550 -0.000 0.000 0.284 225 Y C 2.144 178.088 175.900 0.074 0.000 1.179 225 Y CA 1.499 59.671 58.100 0.119 0.000 1.179 225 Y CB 0.177 38.691 38.460 0.089 0.000 0.973 225 Y HN 0.562 nan 8.280 nan 0.000 0.519 226 E N -2.407 117.908 120.200 0.192 0.000 2.364 226 E HA 0.033 4.383 4.350 -0.000 0.000 0.203 226 E C 1.491 178.103 176.600 0.021 0.000 0.888 226 E CA 0.899 57.358 56.400 0.099 0.000 0.989 226 E CB 0.163 29.914 29.700 0.085 0.000 0.985 226 E HN 0.241 nan 8.360 nan 0.000 0.499 227 T N 1.173 115.714 114.554 -0.022 0.000 3.107 227 T HA 0.039 4.388 4.350 -0.000 0.000 0.249 227 T C 0.314 174.878 174.700 -0.226 0.000 1.096 227 T CA -0.046 61.991 62.100 -0.104 0.000 1.012 227 T CB 0.211 69.010 68.868 -0.116 0.000 0.977 227 T HN -0.005 nan 8.240 nan 0.000 0.527 228 K N 0.611 120.834 120.400 -0.295 0.000 1.844 228 K HA -0.279 4.041 4.320 -0.000 0.000 0.160 228 K C 0.272 176.319 176.600 -0.923 0.000 1.448 228 K CA 0.955 56.818 56.287 -0.707 0.000 0.446 228 K CB -1.572 30.681 32.500 -0.413 0.000 0.635 228 K HN 0.484 nan 8.250 nan 0.000 0.848 229 Y N 2.945 122.695 120.300 -0.916 0.000 2.544 229 Y HA 0.107 4.656 4.550 -0.000 0.000 0.330 229 Y C -0.035 175.577 175.900 -0.481 0.000 1.136 229 Y CA 0.687 58.421 58.100 -0.610 0.000 1.417 229 Y CB 0.645 38.916 38.460 -0.315 0.000 1.229 229 Y HN 0.262 nan 8.280 nan 0.000 0.532 230 T N 9.329 123.094 114.554 -1.314 0.000 2.815 230 T HA 0.306 4.656 4.350 -0.000 0.000 0.289 230 T C -2.649 171.269 174.700 -1.303 0.000 1.000 230 T CA -1.466 59.920 62.100 -1.190 0.000 0.958 230 T CB 1.348 69.379 68.868 -1.395 0.000 0.944 230 T HN 0.443 nan 8.240 nan 0.000 0.442 231 P HA 0.251 nan 4.420 nan 0.000 0.269 231 P C 0.540 177.663 177.300 -0.295 0.000 1.215 231 P CA -0.184 62.606 63.100 -0.517 0.000 0.780 231 P CB 0.446 32.036 31.700 -0.183 0.000 0.898 232 G N 1.996 110.722 108.800 -0.124 0.000 2.569 232 G HA2 0.426 4.386 3.960 -0.000 0.000 0.249 232 G HA3 0.426 4.386 3.960 -0.000 0.000 0.249 232 G C -0.588 174.257 174.900 -0.091 0.000 1.216 232 G CA -0.463 44.567 45.100 -0.117 0.000 0.845 232 G HN 0.449 nan 8.290 nan 0.000 0.568 233 R N -0.565 119.847 120.500 -0.147 0.000 2.698 233 R HA 0.610 4.950 4.340 -0.000 0.000 0.275 233 R C -0.909 175.384 176.300 -0.012 0.000 1.001 233 R CA -0.837 55.229 56.100 -0.057 0.000 0.896 233 R CB 2.227 32.486 30.300 -0.068 0.000 1.218 233 R HN 0.636 nan 8.270 nan 0.000 0.462 234 A N 1.951 124.803 122.820 0.054 0.000 2.273 234 A HA 0.328 4.647 4.320 -0.000 0.000 0.320 234 A C -0.529 177.077 177.584 0.037 0.000 1.358 234 A CA -0.608 51.484 52.037 0.092 0.000 0.910 234 A CB 0.340 19.400 19.000 0.099 0.000 1.159 234 A HN 0.693 nan 8.150 nan 0.000 0.526 235 E N 2.170 122.385 120.200 0.027 0.000 2.249 235 E HA 0.403 4.752 4.350 -0.000 0.000 0.280 235 E C -0.942 175.665 176.600 0.012 0.000 1.016 235 E CA -0.376 56.028 56.400 0.008 0.000 0.830 235 E CB 1.515 31.212 29.700 -0.004 0.000 1.081 235 E HN 0.594 nan 8.360 nan 0.000 0.395 236 L N 4.365 125.588 121.223 0.000 0.000 2.265 236 L HA 0.357 4.697 4.340 -0.000 0.000 0.289 236 L C -0.446 176.416 176.870 -0.013 0.000 1.033 236 L CA -0.594 54.243 54.840 -0.005 0.000 0.814 236 L CB 0.523 42.575 42.059 -0.012 0.000 1.203 236 L HN 0.383 nan 8.230 nan 0.000 0.423 237 L N 5.943 127.158 121.223 -0.013 0.000 2.264 237 L HA 0.523 4.863 4.340 -0.000 0.000 0.287 237 L C -0.377 176.474 176.870 -0.031 0.000 1.039 237 L CA -0.155 54.673 54.840 -0.019 0.000 0.829 237 L CB 0.937 42.988 42.059 -0.013 0.000 1.211 237 L HN 0.528 nan 8.230 nan 0.000 0.427 238 I N 5.228 125.776 120.570 -0.037 0.000 2.439 238 I HA 0.363 4.533 4.170 -0.000 0.000 0.283 238 I C -1.788 174.300 176.117 -0.048 0.000 1.023 238 I CA -1.534 59.735 61.300 -0.051 0.000 1.100 238 I CB 2.109 40.075 38.000 -0.057 0.000 1.238 238 I HN 0.484 nan 8.210 nan 0.000 0.445 239 P HA 0.427 nan 4.420 nan 0.000 0.279 239 P C -0.484 176.786 177.300 -0.051 0.000 1.252 239 P CA -0.478 62.585 63.100 -0.062 0.000 0.811 239 P CB 1.177 32.837 31.700 -0.067 0.000 1.035 240 A N 3.136 125.923 122.820 -0.055 0.000 2.511 240 A HA 0.264 4.584 4.320 -0.000 0.000 0.242 240 A C -1.731 175.830 177.584 -0.039 0.000 1.069 240 A CA -0.909 51.103 52.037 -0.042 0.000 0.763 240 A CB -1.054 17.918 19.000 -0.046 0.000 1.001 240 A HN 0.451 nan 8.150 nan 0.000 0.498 241 P HA 0.301 nan 4.420 nan 0.000 0.256 241 P C -1.054 176.231 177.300 -0.025 0.000 1.688 241 P CA 0.530 63.616 63.100 -0.024 0.000 1.162 241 P CB -0.207 31.483 31.700 -0.016 0.000 1.870 242 L N 2.698 123.900 121.223 -0.034 0.000 2.354 242 L HA 0.408 4.748 4.340 -0.000 0.000 0.264 242 L C 0.719 177.566 176.870 -0.037 0.000 1.008 242 L CA -1.156 53.662 54.840 -0.037 0.000 0.819 242 L CB 2.118 44.146 42.059 -0.053 0.000 1.339 242 L HN 0.219 nan 8.230 nan 0.000 0.420 243 D N 1.466 121.846 120.400 -0.034 0.000 2.357 243 D HA 0.056 4.696 4.640 -0.000 0.000 0.242 243 D C -1.964 174.312 176.300 -0.040 0.000 1.153 243 D CA -1.293 52.688 54.000 -0.032 0.000 0.918 243 D CB 1.001 41.785 40.800 -0.026 0.000 1.181 243 D HN 0.285 nan 8.370 nan 0.000 0.435 244 P HA -0.223 nan 4.420 nan 0.000 0.216 244 P C 1.571 178.843 177.300 -0.046 0.000 1.157 244 P CA 1.897 64.972 63.100 -0.041 0.000 0.880 244 P CB -0.220 31.461 31.700 -0.032 0.000 0.791 245 G N -0.710 108.065 108.800 -0.041 0.000 2.459 245 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.217 245 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.217 245 G C 1.823 176.687 174.900 -0.060 0.000 1.183 245 G CA 1.828 46.902 45.100 -0.044 0.000 0.776 245 G HN 0.357 nan 8.290 nan 0.000 0.552 246 T N -0.324 114.192 114.554 -0.063 0.000 2.777 246 T HA -0.172 4.178 4.350 -0.000 0.000 0.266 246 T C 2.314 176.943 174.700 -0.118 0.000 1.040 246 T CA 2.059 64.108 62.100 -0.085 0.000 1.141 246 T CB -0.335 68.491 68.868 -0.070 0.000 0.868 246 T HN 0.475 nan 8.240 nan 0.000 0.444 247 Q N 0.071 119.808 119.800 -0.104 0.000 2.077 247 Q HA -0.188 4.152 4.340 -0.000 0.000 0.206 247 Q C 2.221 178.143 176.000 -0.129 0.000 0.989 247 Q CA 2.024 57.754 55.803 -0.121 0.000 0.853 247 Q CB -0.200 28.482 28.738 -0.094 0.000 0.907 247 Q HN 0.667 nan 8.270 nan 0.000 0.418 248 E N -0.775 119.366 120.200 -0.098 0.000 2.110 248 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 248 E C 1.958 178.499 176.600 -0.098 0.000 0.988 248 E CA 1.550 57.898 56.400 -0.086 0.000 0.804 248 E CB 0.113 29.777 29.700 -0.059 0.000 0.745 248 E HN 0.433 nan 8.360 nan 0.000 0.458 249 T N 0.778 115.266 114.554 -0.111 0.000 2.737 249 T HA -0.143 4.206 4.350 -0.000 0.000 0.265 249 T C 2.209 176.796 174.700 -0.188 0.000 1.038 249 T CA 1.545 63.575 62.100 -0.116 0.000 1.144 249 T CB -0.308 68.497 68.868 -0.106 0.000 0.866 249 T HN 0.190 nan 8.240 nan 0.000 0.434 250 V N 0.589 120.316 119.914 -0.312 0.000 2.407 250 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 250 V C 2.250 178.094 176.094 -0.417 0.000 1.055 250 V CA 1.551 63.476 62.300 -0.624 0.000 1.049 250 V CB -1.117 30.235 31.823 -0.785 0.000 0.662 250 V HN 0.390 nan 8.190 nan 0.000 0.455 251 Q N 0.249 119.906 119.800 -0.238 0.000 2.079 251 Q HA -0.210 4.130 4.340 -0.000 0.000 0.200 251 Q C 2.432 178.395 176.000 -0.062 0.000 0.974 251 Q CA 2.054 57.778 55.803 -0.132 0.000 0.840 251 Q CB -0.181 28.489 28.738 -0.112 0.000 0.898 251 Q HN 0.877 nan 8.270 nan 0.000 0.430 252 E N 0.164 120.329 120.200 -0.058 0.000 2.072 252 E HA -0.195 4.154 4.350 -0.000 0.000 0.190 252 E C 1.769 178.386 176.600 0.029 0.000 0.982 252 E CA 0.545 56.938 56.400 -0.011 0.000 0.803 252 E CB 0.131 29.822 29.700 -0.015 0.000 0.755 252 E HN 0.155 nan 8.360 nan 0.000 0.453 253 L N 1.045 122.289 121.223 0.035 0.000 2.046 253 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 253 L C 2.433 179.452 176.870 0.248 0.000 1.077 253 L CA 2.015 56.945 54.840 0.149 0.000 0.747 253 L CB -1.065 41.136 42.059 0.236 0.000 0.896 253 L HN 0.238 nan 8.230 nan 0.000 0.432 254 A N -1.242 121.758 122.820 0.300 0.000 1.877 254 A HA -0.172 4.147 4.320 -0.000 0.000 0.216 254 A C 2.163 179.842 177.584 0.159 0.000 1.186 254 A CA 1.472 53.694 52.037 0.309 0.000 0.620 254 A CB -0.698 18.462 19.000 0.266 0.000 0.822 254 A HN 0.299 nan 8.150 nan 0.000 0.443 255 L N -0.032 121.240 121.223 0.082 0.000 2.056 255 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 255 L C 2.379 179.293 176.870 0.073 0.000 1.078 255 L CA 2.284 57.151 54.840 0.045 0.000 0.749 255 L CB -0.930 41.140 42.059 0.019 0.000 0.901 255 L HN 0.550 nan 8.230 nan 0.000 0.433 256 K N -0.587 119.853 120.400 0.067 0.000 2.026 256 K HA -0.163 4.157 4.320 -0.000 0.000 0.208 256 K C 2.065 178.691 176.600 0.043 0.000 1.048 256 K CA 1.409 57.722 56.287 0.042 0.000 0.929 256 K CB -0.065 32.463 32.500 0.045 0.000 0.713 256 K HN 0.230 nan 8.250 nan 0.000 0.439 257 A N 0.535 123.398 122.820 0.072 0.000 1.883 257 A HA -0.228 4.091 4.320 -0.000 0.000 0.217 257 A C 2.101 179.720 177.584 0.057 0.000 1.186 257 A CA 1.669 53.733 52.037 0.044 0.000 0.624 257 A CB -1.122 17.898 19.000 0.032 0.000 0.822 257 A HN 0.592 nan 8.150 nan 0.000 0.444 258 Y N 0.547 120.825 120.300 -0.036 0.000 2.114 258 Y HA -0.270 4.280 4.550 -0.000 0.000 0.282 258 Y C 2.510 178.348 175.900 -0.104 0.000 1.165 258 Y CA 2.536 60.609 58.100 -0.046 0.000 1.148 258 Y CB -0.041 38.412 38.460 -0.012 0.000 0.972 258 Y HN 0.244 nan 8.280 nan 0.000 0.504 259 K N -0.095 120.326 120.400 0.034 0.000 2.026 259 K HA -0.133 4.186 4.320 -0.000 0.000 0.208 259 K C 1.982 178.479 176.600 -0.172 0.000 1.048 259 K CA 1.704 57.877 56.287 -0.191 0.000 0.929 259 K CB -0.644 31.667 32.500 -0.314 0.000 0.713 259 K HN 0.318 nan 8.250 nan 0.000 0.439 260 V N 1.657 121.513 119.914 -0.097 0.000 2.343 260 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 260 V C 2.286 178.332 176.094 -0.080 0.000 1.051 260 V CA 1.190 63.448 62.300 -0.071 0.000 1.036 260 V CB -0.345 31.456 31.823 -0.036 0.000 0.654 260 V HN 0.215 nan 8.190 nan 0.000 0.451 261 L N 0.603 121.766 121.223 -0.099 0.000 2.551 261 L HA 0.232 4.572 4.340 -0.000 0.000 0.228 261 L C 1.892 178.672 176.870 -0.150 0.000 1.153 261 L CA 1.394 56.165 54.840 -0.114 0.000 0.851 261 L CB -1.518 40.467 42.059 -0.124 0.000 0.959 261 L HN 0.554 nan 8.230 nan 0.000 0.451 262 G N -0.427 108.264 108.800 -0.182 0.000 2.198 262 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.260 262 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.260 262 G C 0.453 175.192 174.900 -0.269 0.000 1.025 262 G CA 0.307 45.296 45.100 -0.185 0.000 0.769 262 G HN 0.169 nan 8.290 nan 0.000 0.507 263 V N -0.535 119.088 119.914 -0.484 0.000 2.763 263 V HA 0.169 4.289 4.120 -0.000 0.000 0.306 263 V C 1.737 177.495 176.094 -0.560 0.000 1.059 263 V CA 1.111 63.017 62.300 -0.657 0.000 1.138 263 V CB 1.201 32.300 31.823 -1.207 0.000 0.940 263 V HN 0.525 nan 8.190 nan 0.000 0.489 264 R N 2.326 122.658 120.500 -0.280 0.000 2.119 264 R HA 0.187 4.527 4.340 -0.000 0.000 0.202 264 R C 2.053 178.374 176.300 0.036 0.000 1.114 264 R CA 0.832 56.872 56.100 -0.100 0.000 1.089 264 R CB -0.083 30.149 30.300 -0.113 0.000 1.000 264 R HN 0.857 nan 8.270 nan 0.000 0.487 265 G N 0.919 109.738 108.800 0.031 0.000 2.556 265 G HA2 0.152 4.112 3.960 -0.000 0.000 0.209 265 G HA3 0.152 4.112 3.960 -0.000 0.000 0.209 265 G C 0.711 175.720 174.900 0.181 0.000 1.159 265 G CA 0.304 45.440 45.100 0.061 0.000 0.828 265 G HN 0.142 nan 8.290 nan 0.000 0.553 266 M N -2.030 117.699 119.600 0.215 0.000 2.924 266 M HA 0.750 5.230 4.480 -0.000 0.000 0.271 266 M C -1.863 174.615 176.300 0.296 0.000 1.280 266 M CA -0.987 54.468 55.300 0.259 0.000 0.813 266 M CB 1.932 34.572 32.600 0.066 0.000 1.658 266 M HN 0.769 nan 8.290 nan 0.000 0.467 267 A N 1.067 124.030 122.820 0.238 0.000 2.601 267 A HA 0.589 4.909 4.320 -0.000 0.000 0.303 267 A C -1.919 175.813 177.584 0.246 0.000 1.004 267 A CA -0.745 51.419 52.037 0.213 0.000 0.742 267 A CB 1.382 20.630 19.000 0.413 0.000 1.250 267 A HN 0.917 nan 8.150 nan 0.000 0.406 268 R N 1.794 122.379 120.500 0.143 0.000 2.310 268 R HA 0.630 4.970 4.340 -0.000 0.000 0.324 268 R C -1.423 174.941 176.300 0.107 0.000 0.955 268 R CA -0.362 55.857 56.100 0.197 0.000 0.830 268 R CB 1.284 31.672 30.300 0.147 0.000 1.154 268 R HN 0.596 nan 8.270 nan 0.000 0.458 269 V N 4.646 124.638 119.914 0.129 0.000 2.370 269 V HA 0.228 4.348 4.120 -0.000 0.000 0.279 269 V C -0.466 175.655 176.094 0.045 0.000 1.029 269 V CA -0.793 61.537 62.300 0.049 0.000 0.870 269 V CB 1.470 33.372 31.823 0.131 0.000 0.984 269 V HN 0.718 nan 8.190 nan 0.000 0.451 270 D N 4.353 124.656 120.400 -0.160 0.000 2.177 270 D HA 0.656 5.295 4.640 -0.000 0.000 0.247 270 D C -0.622 175.446 176.300 -0.387 0.000 1.063 270 D CA 0.063 53.968 54.000 -0.158 0.000 0.867 270 D CB 1.696 42.357 40.800 -0.231 0.000 1.168 270 D HN 0.267 nan 8.370 nan 0.000 0.445 271 F N 0.480 120.289 119.950 -0.235 0.000 2.611 271 F HA 0.520 5.047 4.527 -0.000 0.000 0.324 271 F C -0.404 175.271 175.800 -0.209 0.000 1.061 271 F CA -1.048 56.830 58.000 -0.204 0.000 0.954 271 F CB 1.205 40.170 39.000 -0.059 0.000 1.301 271 F HN 0.076 nan 8.300 nan 0.000 0.482 272 F N 2.220 122.340 119.950 0.283 0.000 2.458 272 F HA 0.612 5.139 4.527 -0.000 0.000 0.336 272 F C -0.636 175.330 175.800 0.277 0.000 1.114 272 F CA -1.122 57.000 58.000 0.204 0.000 0.987 272 F CB 1.761 40.841 39.000 0.134 0.000 1.130 272 F HN 0.124 nan 8.300 nan 0.000 0.458 273 L N 3.719 125.176 121.223 0.389 0.000 2.319 273 L HA 0.904 5.243 4.340 -0.000 0.000 0.281 273 L C -1.082 175.922 176.870 0.222 0.000 1.005 273 L CA -0.499 54.496 54.840 0.258 0.000 0.828 273 L CB 0.954 43.097 42.059 0.141 0.000 1.227 273 L HN 0.636 nan 8.230 nan 0.000 0.415 274 A N 3.623 126.591 122.820 0.246 0.000 2.488 274 A HA 0.635 4.955 4.320 -0.000 0.000 0.295 274 A C 0.071 177.754 177.584 0.165 0.000 1.045 274 A CA -0.192 51.948 52.037 0.171 0.000 0.703 274 A CB 1.005 20.081 19.000 0.127 0.000 1.271 274 A HN 0.774 nan 8.150 nan 0.000 0.400 275 E N 0.837 121.096 120.200 0.098 0.000 2.476 275 E HA -0.169 4.181 4.350 -0.000 0.000 0.251 275 E C 1.125 177.768 176.600 0.072 0.000 1.130 275 E CA 2.292 58.739 56.400 0.078 0.000 0.736 275 E CB -1.417 28.336 29.700 0.088 0.000 1.298 275 E HN 2.674 nan 8.360 nan 0.000 0.400 276 G N -1.058 107.779 108.800 0.061 0.000 2.168 276 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.263 276 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.263 276 G C -0.093 174.817 174.900 0.018 0.000 0.977 276 G CA 0.551 45.671 45.100 0.033 0.000 0.659 276 G HN 0.283 nan 8.290 nan 0.000 0.533 277 E N -0.325 119.904 120.200 0.049 0.000 2.183 277 E HA 0.622 4.972 4.350 -0.000 0.000 0.271 277 E C 0.256 176.778 176.600 -0.130 0.000 0.919 277 E CA -0.662 55.695 56.400 -0.071 0.000 0.781 277 E CB 1.700 31.357 29.700 -0.072 0.000 1.140 277 E HN 0.302 nan 8.360 nan 0.000 0.402 278 L N 2.906 123.965 121.223 -0.274 0.000 2.325 278 L HA 0.410 4.750 4.340 -0.000 0.000 0.279 278 L C -0.826 175.845 176.870 -0.332 0.000 1.054 278 L CA -0.679 54.086 54.840 -0.126 0.000 0.804 278 L CB 0.539 42.565 42.059 -0.054 0.000 1.200 278 L HN 0.442 nan 8.230 nan 0.000 0.436 279 Y N 2.821 123.286 120.300 0.275 0.000 2.354 279 Y HA 0.340 4.890 4.550 -0.000 0.000 0.330 279 Y C -0.303 175.653 175.900 0.093 0.000 1.011 279 Y CA -0.605 57.614 58.100 0.198 0.000 1.099 279 Y CB 1.845 40.431 38.460 0.209 0.000 1.179 279 Y HN 0.374 nan 8.280 nan 0.000 0.442 280 L N 3.589 124.809 121.223 -0.005 0.000 2.369 280 L HA 0.199 4.539 4.340 -0.000 0.000 0.279 280 L C 0.629 177.262 176.870 -0.396 0.000 1.108 280 L CA 0.140 54.632 54.840 -0.580 0.000 0.852 280 L CB 0.537 42.251 42.059 -0.576 0.000 1.169 280 L HN 0.830 nan 8.230 nan 0.000 0.452 281 N N 3.630 122.010 118.700 -0.532 0.000 2.245 281 N HA 0.041 4.781 4.740 -0.000 0.000 0.185 281 N C -0.497 174.785 175.510 -0.379 0.000 1.036 281 N CA 0.984 53.750 53.050 -0.475 0.000 0.857 281 N CB 0.481 38.401 38.487 -0.945 0.000 1.015 281 N HN 0.724 nan 8.380 nan 0.000 0.436 282 E N -1.160 118.804 120.200 -0.393 0.000 2.412 282 E HA 0.404 4.753 4.350 -0.000 0.000 0.279 282 E C -1.616 174.845 176.600 -0.231 0.000 0.984 282 E CA -0.681 55.556 56.400 -0.271 0.000 0.788 282 E CB 2.083 31.654 29.700 -0.215 0.000 1.277 282 E HN -0.028 nan 8.360 nan 0.000 0.455 283 L N 2.029 123.160 121.223 -0.155 0.000 2.356 283 L HA 0.408 4.748 4.340 -0.000 0.000 0.277 283 L C -1.094 175.745 176.870 -0.051 0.000 0.996 283 L CA -0.473 54.315 54.840 -0.087 0.000 0.822 283 L CB 1.447 43.468 42.059 -0.065 0.000 1.256 283 L HN 0.389 nan 8.230 nan 0.000 0.413 284 N N 0.163 118.851 118.700 -0.021 0.000 2.469 284 N HA 0.286 5.026 4.740 -0.000 0.000 0.253 284 N C 0.872 176.394 175.510 0.020 0.000 0.970 284 N CA -0.382 52.664 53.050 -0.008 0.000 0.940 284 N CB 1.413 39.886 38.487 -0.023 0.000 1.128 284 N HN 0.667 nan 8.380 nan 0.000 0.503 285 T N -1.058 113.516 114.554 0.034 0.000 2.995 285 T HA 0.086 4.436 4.350 -0.000 0.000 0.269 285 T C 0.654 175.405 174.700 0.086 0.000 1.091 285 T CA 0.811 62.940 62.100 0.048 0.000 1.128 285 T CB -0.142 68.748 68.868 0.037 0.000 0.891 285 T HN 0.392 nan 8.240 nan 0.000 0.492 286 I N 3.346 123.995 120.570 0.133 0.000 2.623 286 I HA 0.337 4.506 4.170 -0.000 0.000 0.275 286 I C -2.489 173.793 176.117 0.275 0.000 1.108 286 I CA -2.571 58.879 61.300 0.250 0.000 1.120 286 I CB 1.916 40.091 38.000 0.292 0.000 1.249 286 I HN 0.029 nan 8.210 nan 0.000 0.500 287 P HA 0.152 nan 4.420 nan 0.000 0.286 287 P C 0.257 177.564 177.300 0.013 0.000 1.293 287 P CA -0.054 63.002 63.100 -0.073 0.000 0.770 287 P CB 0.788 32.268 31.700 -0.367 0.000 1.206 288 G N -1.136 107.600 108.800 -0.106 0.000 2.476 288 G HA2 0.405 4.365 3.960 -0.000 0.000 0.269 288 G HA3 0.405 4.365 3.960 -0.000 0.000 0.269 288 G C -0.741 174.032 174.900 -0.213 0.000 1.195 288 G CA -0.455 44.645 45.100 0.000 0.000 0.843 288 G HN 0.355 nan 8.290 nan 0.000 0.545 289 F N -0.165 119.923 119.950 0.231 0.000 2.791 289 F HA 0.254 4.781 4.527 -0.000 0.000 0.316 289 F C 1.394 177.314 175.800 0.200 0.000 1.134 289 F CA -0.375 57.813 58.000 0.313 0.000 1.222 289 F CB 0.807 40.011 39.000 0.340 0.000 1.034 289 F HN 0.258 nan 8.300 nan 0.000 0.516 290 T N 3.454 118.116 114.554 0.180 0.000 2.899 290 T HA 0.079 4.429 4.350 -0.000 0.000 0.295 290 T C -1.294 173.399 174.700 -0.012 0.000 1.033 290 T CA -0.883 61.268 62.100 0.084 0.000 1.084 290 T CB 1.004 69.909 68.868 0.060 0.000 0.979 290 T HN -0.020 nan 8.240 nan 0.000 0.532 291 P HA 0.008 nan 4.420 nan 0.000 0.239 291 P C 0.888 178.149 177.300 -0.064 0.000 1.184 291 P CA 0.822 63.856 63.100 -0.111 0.000 0.760 291 P CB 0.255 31.902 31.700 -0.088 0.000 0.884 292 T N -1.749 112.786 114.554 -0.031 0.000 3.010 292 T HA 0.149 4.499 4.350 -0.000 0.000 0.257 292 T C 0.626 175.317 174.700 -0.015 0.000 1.020 292 T CA 0.026 62.114 62.100 -0.021 0.000 0.938 292 T CB -0.167 68.695 68.868 -0.009 0.000 1.049 292 T HN -0.005 nan 8.240 nan 0.000 0.522 293 S N 1.978 117.671 115.700 -0.012 0.000 2.564 293 S HA 0.181 4.651 4.470 -0.000 0.000 0.278 293 S C 1.146 175.744 174.600 -0.003 0.000 1.333 293 S CA -0.380 57.816 58.200 -0.007 0.000 1.048 293 S CB 1.080 64.275 63.200 -0.009 0.000 0.900 293 S HN 0.351 nan 8.310 nan 0.000 0.505 294 M N 3.559 123.162 119.600 0.005 0.000 2.080 294 M HA -0.123 4.357 4.480 -0.000 0.000 0.260 294 M C 1.629 177.944 176.300 0.026 0.000 1.068 294 M CA 1.800 57.104 55.300 0.007 0.000 1.109 294 M CB -0.793 31.814 32.600 0.011 0.000 1.342 294 M HN 0.830 nan 8.290 nan 0.000 0.405 295 Y N 1.361 121.623 120.300 -0.063 0.000 2.053 295 Y HA -0.210 4.340 4.550 -0.000 0.000 0.277 295 Y C -0.813 175.128 175.900 0.069 0.000 1.159 295 Y CA 2.918 61.005 58.100 -0.020 0.000 1.125 295 Y CB -1.651 36.746 38.460 -0.105 0.000 0.969 295 Y HN 0.272 nan 8.280 nan 0.000 0.492 296 P HA -0.151 nan 4.420 nan 0.000 0.217 296 P C 0.968 178.296 177.300 0.046 0.000 1.150 296 P CA 1.834 65.012 63.100 0.129 0.000 0.832 296 P CB -0.172 31.685 31.700 0.261 0.000 0.787 297 R N -1.053 119.440 120.500 -0.012 0.000 2.115 297 R HA -0.053 4.287 4.340 -0.000 0.000 0.230 297 R C 2.334 178.590 176.300 -0.073 0.000 1.111 297 R CA 0.749 56.826 56.100 -0.038 0.000 0.976 297 R CB -0.798 29.476 30.300 -0.044 0.000 0.870 297 R HN 0.162 nan 8.270 nan 0.000 0.445 298 L N -0.524 120.619 121.223 -0.134 0.000 2.027 298 L HA -0.086 4.254 4.340 -0.000 0.000 0.206 298 L C 1.924 178.609 176.870 -0.308 0.000 1.074 298 L CA 1.662 56.355 54.840 -0.245 0.000 0.745 298 L CB -0.637 41.215 42.059 -0.345 0.000 0.898 298 L HN 0.006 nan 8.230 nan 0.000 0.433 299 F N -0.008 119.812 119.950 -0.218 0.000 2.293 299 F HA -0.182 4.345 4.527 -0.000 0.000 0.300 299 F C 2.512 178.260 175.800 -0.087 0.000 1.086 299 F CA 1.275 59.169 58.000 -0.176 0.000 1.375 299 F CB -0.332 38.520 39.000 -0.247 0.000 1.045 299 F HN 0.193 nan 8.300 nan 0.000 0.516 300 E N 0.670 120.920 120.200 0.082 0.000 2.051 300 E HA -0.184 4.166 4.350 -0.000 0.000 0.192 300 E C 2.148 178.755 176.600 0.012 0.000 0.991 300 E CA 1.496 57.930 56.400 0.056 0.000 0.799 300 E CB -0.414 29.303 29.700 0.029 0.000 0.748 300 E HN 0.206 nan 8.360 nan 0.000 0.449 301 A N -0.115 122.686 122.820 -0.031 0.000 2.121 301 A HA 0.076 4.396 4.320 -0.000 0.000 0.218 301 A C 2.079 179.632 177.584 -0.051 0.000 1.154 301 A CA 1.182 53.190 52.037 -0.048 0.000 0.679 301 A CB -0.684 18.272 19.000 -0.074 0.000 0.795 301 A HN 0.340 nan 8.150 nan 0.000 0.458 302 G N -1.876 106.893 108.800 -0.051 0.000 3.314 302 G HA2 0.395 4.354 3.960 -0.000 0.000 0.238 302 G HA3 0.395 4.354 3.960 -0.000 0.000 0.238 302 G C 1.046 175.968 174.900 0.036 0.000 1.184 302 G CA 0.375 45.454 45.100 -0.035 0.000 0.806 302 G HN 1.480 nan 8.290 nan 0.000 0.536 303 G N -1.048 107.772 108.800 0.034 0.000 2.148 303 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.254 303 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.254 303 G C 0.152 175.090 174.900 0.063 0.000 0.981 303 G CA 0.249 45.373 45.100 0.040 0.000 0.670 303 G HN 0.820 nan 8.290 nan 0.000 0.528 304 V N 1.379 121.354 119.914 0.103 0.000 2.275 304 V HA 0.718 4.838 4.120 -0.000 0.000 0.272 304 V C 0.949 177.102 176.094 0.098 0.000 1.028 304 V CA -0.555 61.806 62.300 0.101 0.000 0.810 304 V CB 0.750 32.657 31.823 0.140 0.000 1.043 304 V HN 1.064 nan 8.190 nan 0.000 0.453 305 A N 3.326 126.187 122.820 0.069 0.000 2.520 305 A HA 0.190 4.510 4.320 -0.000 0.000 0.235 305 A C 0.934 178.592 177.584 0.124 0.000 1.065 305 A CA 0.131 52.215 52.037 0.078 0.000 0.764 305 A CB -0.063 18.963 19.000 0.043 0.000 1.002 305 A HN 0.826 nan 8.150 nan 0.000 0.502 306 Y N 3.510 123.810 120.300 -0.000 0.000 2.062 306 Y HA -0.190 4.360 4.550 -0.000 0.000 0.276 306 Y C -0.774 175.163 175.900 0.061 0.000 1.189 306 Y CA 2.987 61.108 58.100 0.036 0.000 1.130 306 Y CB -1.413 37.027 38.460 -0.033 0.000 0.959 306 Y HN 0.557 nan 8.280 nan 0.000 0.499 307 P HA -0.173 nan 4.420 nan 0.000 0.216 307 P C 1.405 178.667 177.300 -0.062 0.000 1.150 307 P CA 2.296 65.363 63.100 -0.055 0.000 0.837 307 P CB -0.021 31.681 31.700 0.005 0.000 0.786 308 E N -0.461 119.725 120.200 -0.024 0.000 2.106 308 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 308 E C 1.771 178.361 176.600 -0.016 0.000 0.984 308 E CA 0.739 57.128 56.400 -0.019 0.000 0.806 308 E CB -1.178 28.521 29.700 -0.002 0.000 0.750 308 E HN 0.005 nan 8.360 nan 0.000 0.458 309 L N 0.166 121.383 121.223 -0.011 0.000 2.017 309 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 309 L C 2.094 178.982 176.870 0.030 0.000 1.073 309 L CA 1.695 56.529 54.840 -0.009 0.000 0.745 309 L CB -0.525 41.572 42.059 0.064 0.000 0.894 309 L HN 0.266 nan 8.230 nan 0.000 0.432 310 L N -0.723 120.493 121.223 -0.010 0.000 2.083 310 L HA -0.198 4.141 4.340 -0.000 0.000 0.209 310 L C 2.800 179.742 176.870 0.120 0.000 1.083 310 L CA 1.524 56.390 54.840 0.044 0.000 0.752 310 L CB -0.663 41.357 42.059 -0.065 0.000 0.899 310 L HN 0.337 nan 8.230 nan 0.000 0.433 311 R N 0.659 121.209 120.500 0.084 0.000 2.073 311 R HA -0.171 4.169 4.340 -0.000 0.000 0.234 311 R C 2.479 178.887 176.300 0.179 0.000 1.134 311 R CA 1.568 57.776 56.100 0.181 0.000 0.952 311 R CB -0.082 30.226 30.300 0.014 0.000 0.850 311 R HN 0.274 nan 8.270 nan 0.000 0.433 312 R N 0.163 120.706 120.500 0.072 0.000 2.115 312 R HA -0.065 4.275 4.340 -0.000 0.000 0.230 312 R C 2.415 178.724 176.300 0.014 0.000 1.111 312 R CA 1.232 57.352 56.100 0.034 0.000 0.976 312 R CB -0.275 30.016 30.300 -0.015 0.000 0.870 312 R HN 0.274 nan 8.270 nan 0.000 0.445 313 L N 0.063 121.291 121.223 0.008 0.000 2.046 313 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 313 L C 2.318 179.123 176.870 -0.108 0.000 1.077 313 L CA 1.043 55.845 54.840 -0.063 0.000 0.747 313 L CB -0.381 41.623 42.059 -0.090 0.000 0.896 313 L HN 0.037 nan 8.230 nan 0.000 0.432 314 V N -0.527 119.366 119.914 -0.034 0.000 2.343 314 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 314 V C 2.449 178.487 176.094 -0.094 0.000 1.051 314 V CA 1.709 63.965 62.300 -0.074 0.000 1.036 314 V CB -0.385 31.417 31.823 -0.035 0.000 0.654 314 V HN 0.366 nan 8.190 nan 0.000 0.451 315 E N 0.188 120.377 120.200 -0.017 0.000 2.106 315 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 315 E C 2.050 178.626 176.600 -0.041 0.000 0.984 315 E CA 1.085 57.474 56.400 -0.018 0.000 0.806 315 E CB -0.376 29.353 29.700 0.048 0.000 0.750 315 E HN 0.534 nan 8.360 nan 0.000 0.458 316 L N -0.370 120.828 121.223 -0.043 0.000 2.131 316 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 316 L C 2.277 179.093 176.870 -0.090 0.000 1.092 316 L CA 0.995 55.805 54.840 -0.049 0.000 0.759 316 L CB -0.439 41.598 42.059 -0.037 0.000 0.903 316 L HN 0.145 nan 8.230 nan 0.000 0.435 317 A N -0.130 122.613 122.820 -0.127 0.000 2.019 317 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 317 A C 2.042 179.538 177.584 -0.146 0.000 1.164 317 A CA 1.300 53.233 52.037 -0.174 0.000 0.644 317 A CB -0.504 18.389 19.000 -0.178 0.000 0.805 317 A HN 0.447 nan 8.150 nan 0.000 0.449 318 L N -0.591 120.570 121.223 -0.104 0.000 2.607 318 L HA 0.096 4.436 4.340 -0.000 0.000 0.228 318 L C 0.550 177.382 176.870 -0.063 0.000 1.123 318 L CA -0.029 54.763 54.840 -0.080 0.000 0.890 318 L CB -0.751 41.267 42.059 -0.069 0.000 1.103 318 L HN 0.285 nan 8.230 nan 0.000 0.468 319 T N 0.000 114.516 114.554 -0.063 0.000 3.816 319 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 319 T CA 0.000 62.076 62.100 -0.040 0.000 1.349 319 T CB 0.000 68.843 68.868 -0.041 0.000 0.612 319 T HN 0.000 nan 8.240 nan 0.000 0.658