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 2b3z_1_D DATA FIRST_RESID 0 DATA SEQUENCE SMEEYYMKLA LDLAKQGEGQ TESNPLVGAV VVKDGQIVGM GAHLKYGEAH DATA SEQUENCE AEVHAIHMAG AHAEGADIYV TLEPCSHYGK TPPCAELIIN SGIKRVFVAM DATA SEQUENCE RDPNPLVAGR GISMMKEAGI EVREGILADQ AERLNEKFLH FMRTGLPYVT DATA SEQUENCE LKAAASLDGK IATSTGDSKW ITSEAARQDA QQYRKTHQSI LVGVGTVKAD DATA SEQUENCE NPSLTCRLPN VTKQPVRVIL DTVLSIPEDA KVICDQIAPT WIFTTARADE DATA SEQUENCE EKKKRLSAFG VNIFTLETER IQIPDVLKIL AEEGIMSVYV EGGSAVHGSF DATA SEQUENCE VKEGCFQEII FYFAPKLIGG THAPSLISGE GFQSMKDVPL LQFTDITQIG DATA SEQUENCE RDIKLTAKPT 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.543 174.600 -0.095 0.000 1.055 0 S CA 0.000 58.168 58.200 -0.053 0.000 1.107 0 S CB 0.000 63.166 63.200 -0.057 0.000 0.593 1 M N 3.143 122.673 119.600 -0.117 0.000 2.159 1 M HA 0.093 4.573 4.480 -0.000 0.000 0.263 1 M C 1.659 177.778 176.300 -0.302 0.000 1.063 1 M CA 1.940 57.106 55.300 -0.224 0.000 1.110 1 M CB -0.539 31.974 32.600 -0.145 0.000 1.374 1 M HN 0.396 nan 8.290 nan 0.000 0.411 2 E N -0.405 119.710 120.200 -0.141 0.000 2.031 2 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 2 E C 2.014 178.481 176.600 -0.221 0.000 0.994 2 E CA 1.657 57.964 56.400 -0.155 0.000 0.800 2 E CB -0.812 28.791 29.700 -0.161 0.000 0.752 2 E HN 0.634 nan 8.360 nan 0.000 0.447 3 E N 0.098 120.219 120.200 -0.132 0.000 2.118 3 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 3 E C 1.935 178.444 176.600 -0.153 0.000 0.992 3 E CA 0.973 57.312 56.400 -0.101 0.000 0.804 3 E CB -0.270 29.401 29.700 -0.047 0.000 0.741 3 E HN 0.243 nan 8.360 nan 0.000 0.458 4 Y N 0.090 120.196 120.300 -0.324 0.000 2.128 4 Y HA -0.319 4.231 4.550 -0.000 0.000 0.284 4 Y C 1.715 177.395 175.900 -0.367 0.000 1.154 4 Y CA 1.728 59.605 58.100 -0.371 0.000 1.149 4 Y CB -0.507 37.643 38.460 -0.517 0.000 0.976 4 Y HN 0.097 nan 8.280 nan 0.000 0.505 5 Y N -1.116 118.814 120.300 -0.617 0.000 2.224 5 Y HA -0.243 4.307 4.550 -0.000 0.000 0.289 5 Y C 2.574 178.090 175.900 -0.641 0.000 1.146 5 Y CA 1.607 59.206 58.100 -0.836 0.000 1.182 5 Y CB -1.016 36.615 38.460 -1.381 0.000 0.983 5 Y HN 0.259 nan 8.280 nan 0.000 0.524 6 M N 0.151 119.554 119.600 -0.329 0.000 2.175 6 M HA -0.121 4.359 4.480 -0.000 0.000 0.264 6 M C 2.058 178.284 176.300 -0.124 0.000 1.063 6 M CA 1.538 56.779 55.300 -0.098 0.000 1.119 6 M CB -0.299 32.308 32.600 0.010 0.000 1.377 6 M HN -0.166 nan 8.290 nan 0.000 0.415 7 K N 0.345 120.626 120.400 -0.199 0.000 2.009 7 K HA -0.158 4.162 4.320 -0.000 0.000 0.210 7 K C 1.996 178.480 176.600 -0.193 0.000 1.049 7 K CA 1.623 57.804 56.287 -0.175 0.000 0.929 7 K CB -1.258 31.123 32.500 -0.198 0.000 0.714 7 K HN 0.417 nan 8.250 nan 0.000 0.440 8 L N 0.975 122.007 121.223 -0.319 0.000 1.990 8 L HA -0.172 4.168 4.340 -0.000 0.000 0.213 8 L C 2.242 179.037 176.870 -0.124 0.000 1.072 8 L CA 2.573 57.265 54.840 -0.246 0.000 0.755 8 L CB -1.227 40.643 42.059 -0.315 0.000 0.889 8 L HN 0.223 nan 8.230 nan 0.000 0.432 9 A N -0.515 122.246 122.820 -0.098 0.000 1.892 9 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 9 A C 2.306 179.876 177.584 -0.023 0.000 1.188 9 A CA 2.366 54.389 52.037 -0.025 0.000 0.631 9 A CB -1.095 17.924 19.000 0.032 0.000 0.822 9 A HN 0.557 nan 8.150 nan 0.000 0.447 10 L N -0.724 120.477 121.223 -0.036 0.000 2.083 10 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 10 L C 1.954 178.804 176.870 -0.034 0.000 1.083 10 L CA 1.416 56.239 54.840 -0.028 0.000 0.752 10 L CB -0.585 41.457 42.059 -0.029 0.000 0.899 10 L HN 0.293 nan 8.230 nan 0.000 0.433 11 D N -0.123 120.247 120.400 -0.049 0.000 2.224 11 D HA -0.093 4.547 4.640 -0.000 0.000 0.205 11 D C 2.358 178.638 176.300 -0.035 0.000 0.965 11 D CA 0.974 54.948 54.000 -0.043 0.000 0.852 11 D CB -0.005 40.764 40.800 -0.052 0.000 0.947 11 D HN 0.271 nan 8.370 nan 0.000 0.494 12 L N 0.557 121.760 121.223 -0.032 0.000 2.072 12 L HA -0.059 4.280 4.340 -0.000 0.000 0.205 12 L C 2.521 179.383 176.870 -0.012 0.000 1.079 12 L CA 0.958 55.785 54.840 -0.021 0.000 0.752 12 L CB -0.408 41.644 42.059 -0.011 0.000 0.906 12 L HN -0.049 nan 8.230 nan 0.000 0.436 13 A N 0.380 123.195 122.820 -0.008 0.000 1.908 13 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 13 A C 2.298 179.873 177.584 -0.015 0.000 1.181 13 A CA 1.852 53.886 52.037 -0.004 0.000 0.627 13 A CB -0.430 18.563 19.000 -0.012 0.000 0.818 13 A HN 0.341 nan 8.150 nan 0.000 0.445 14 K N -0.489 119.896 120.400 -0.024 0.000 2.211 14 K HA -0.147 4.173 4.320 -0.000 0.000 0.204 14 K C 1.816 178.398 176.600 -0.030 0.000 1.047 14 K CA 1.184 57.453 56.287 -0.030 0.000 0.935 14 K CB -0.103 32.378 32.500 -0.032 0.000 0.728 14 K HN 0.425 nan 8.250 nan 0.000 0.452 15 Q N -0.524 119.259 119.800 -0.028 0.000 2.439 15 Q HA -0.070 4.270 4.340 -0.000 0.000 0.211 15 Q C 1.838 177.817 176.000 -0.035 0.000 0.978 15 Q CA 1.217 57.000 55.803 -0.032 0.000 0.897 15 Q CB -0.138 28.579 28.738 -0.035 0.000 0.956 15 Q HN 0.462 nan 8.270 nan 0.000 0.483 16 G N 0.054 108.837 108.800 -0.029 0.000 2.986 16 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.213 16 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.213 16 G C 1.200 176.084 174.900 -0.027 0.000 1.156 16 G CA 0.229 45.310 45.100 -0.031 0.000 0.763 16 G HN 0.302 nan 8.290 nan 0.000 0.547 17 E N 1.204 121.386 120.200 -0.031 0.000 2.197 17 E HA -0.164 4.186 4.350 -0.000 0.000 0.205 17 E C 2.321 178.900 176.600 -0.035 0.000 1.029 17 E CA 1.955 58.332 56.400 -0.037 0.000 0.828 17 E CB -0.691 28.982 29.700 -0.045 0.000 0.737 17 E HN 0.269 nan 8.360 nan 0.000 0.464 18 G N -0.372 108.408 108.800 -0.033 0.000 2.736 18 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.214 18 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.214 18 G C 0.455 175.343 174.900 -0.020 0.000 1.327 18 G CA 0.751 45.834 45.100 -0.029 0.000 0.818 18 G HN 0.346 nan 8.290 nan 0.000 0.611 19 Q N 0.501 120.293 119.800 -0.014 0.000 2.363 19 Q HA 0.381 4.721 4.340 -0.000 0.000 0.265 19 Q C -0.160 175.856 176.000 0.026 0.000 1.032 19 Q CA 0.259 56.066 55.803 0.006 0.000 0.746 19 Q CB 1.394 30.137 28.738 0.007 0.000 1.237 19 Q HN 0.449 nan 8.270 nan 0.000 0.475 20 T N -0.437 114.159 114.554 0.071 0.000 3.131 20 T HA 0.218 4.568 4.350 -0.000 0.000 0.283 20 T C 0.396 175.248 174.700 0.254 0.000 0.906 20 T CA 0.498 62.689 62.100 0.152 0.000 0.882 20 T CB 0.410 69.367 68.868 0.149 0.000 1.208 20 T HN 0.662 nan 8.240 nan 0.000 0.561 21 E N 1.214 121.491 120.200 0.127 0.000 3.221 21 E HA -0.276 4.074 4.350 -0.000 0.000 0.410 21 E C 0.896 177.560 176.600 0.107 0.000 1.531 21 E CA 1.601 58.040 56.400 0.064 0.000 1.285 21 E CB -1.705 27.955 29.700 -0.066 0.000 1.542 21 E HN 0.342 nan 8.360 nan 0.000 0.482 22 S N 1.014 116.816 115.700 0.169 0.000 2.501 22 S HA 0.047 4.517 4.470 -0.000 0.000 0.220 22 S C 0.272 175.050 174.600 0.297 0.000 0.997 22 S CA 0.222 58.544 58.200 0.202 0.000 0.919 22 S CB -0.140 63.163 63.200 0.171 0.000 0.778 22 S HN 0.219 nan 8.310 nan 0.000 0.523 23 N N 3.051 121.926 118.700 0.292 0.000 2.412 23 N HA 0.132 4.872 4.740 -0.000 0.000 0.254 23 N C -2.421 173.003 175.510 -0.143 0.000 1.232 23 N CA -0.817 52.307 53.050 0.124 0.000 0.880 23 N CB 0.117 38.740 38.487 0.227 0.000 1.076 23 N HN 0.214 nan 8.380 nan 0.000 0.458 24 P HA 0.094 nan 4.420 nan 0.000 0.274 24 P C -0.687 176.399 177.300 -0.357 0.000 1.246 24 P CA -0.481 62.097 63.100 -0.870 0.000 0.795 24 P CB 0.730 31.529 31.700 -1.501 0.000 1.006 25 L N 1.982 123.053 121.223 -0.254 0.000 2.265 25 L HA 0.306 4.646 4.340 -0.000 0.000 0.288 25 L C 0.352 177.161 176.870 -0.102 0.000 1.058 25 L CA -0.160 54.620 54.840 -0.100 0.000 0.809 25 L CB 0.549 42.564 42.059 -0.074 0.000 1.179 25 L HN 0.227 nan 8.230 nan 0.000 0.429 26 V N 0.901 120.788 119.914 -0.044 0.000 3.007 26 V HA 1.087 5.207 4.120 -0.000 0.000 0.311 26 V C -0.202 175.903 176.094 0.018 0.000 1.120 26 V CA -0.481 61.794 62.300 -0.041 0.000 0.980 26 V CB 1.651 33.415 31.823 -0.097 0.000 1.033 26 V HN 0.752 nan 8.190 nan 0.000 0.429 27 G N 0.830 109.641 108.800 0.018 0.000 2.574 27 G HA2 1.003 4.963 3.960 -0.000 0.000 0.299 27 G HA3 1.003 4.963 3.960 -0.000 0.000 0.299 27 G C -0.919 174.014 174.900 0.055 0.000 1.298 27 G CA -0.442 44.681 45.100 0.038 0.000 0.952 27 G HN 1.868 nan 8.290 nan 0.000 0.477 28 A N -0.400 122.461 122.820 0.069 0.000 2.547 28 A HA 0.835 5.155 4.320 -0.000 0.000 0.297 28 A C -1.004 176.632 177.584 0.085 0.000 1.056 28 A CA -0.225 51.865 52.037 0.090 0.000 0.688 28 A CB 1.789 20.843 19.000 0.089 0.000 1.282 28 A HN 2.277 nan 8.150 nan 0.000 0.400 29 V N 0.480 120.461 119.914 0.111 0.000 2.760 29 V HA 0.858 4.978 4.120 -0.000 0.000 0.309 29 V C -1.252 174.905 176.094 0.106 0.000 1.077 29 V CA -0.597 61.748 62.300 0.074 0.000 0.910 29 V CB 1.512 33.338 31.823 0.004 0.000 1.008 29 V HN 0.974 nan 8.190 nan 0.000 0.424 30 V N 5.838 125.782 119.914 0.049 0.000 2.483 30 V HA 0.759 4.879 4.120 -0.000 0.000 0.295 30 V C -0.008 176.068 176.094 -0.030 0.000 1.035 30 V CA -0.066 62.258 62.300 0.039 0.000 0.896 30 V CB 1.629 33.478 31.823 0.044 0.000 0.986 30 V HN 1.323 nan 8.190 nan 0.000 0.447 31 V N 3.718 123.604 119.914 -0.046 0.000 2.638 31 V HA 0.872 4.992 4.120 -0.000 0.000 0.306 31 V C -0.924 175.149 176.094 -0.034 0.000 1.052 31 V CA -0.781 61.448 62.300 -0.119 0.000 0.885 31 V CB 1.895 33.480 31.823 -0.396 0.000 0.999 31 V HN 0.868 nan 8.190 nan 0.000 0.424 32 K N 4.121 124.502 120.400 -0.033 0.000 2.376 32 K HA 0.551 4.871 4.320 -0.000 0.000 0.257 32 K C -0.146 176.451 176.600 -0.004 0.000 0.939 32 K CA 0.172 56.458 56.287 -0.003 0.000 0.809 32 K CB 1.109 33.612 32.500 0.005 0.000 1.121 32 K HN 0.840 nan 8.250 nan 0.000 0.425 33 D N 3.906 124.320 120.400 0.024 0.000 2.751 33 D HA -0.208 4.432 4.640 -0.000 0.000 0.233 33 D C 0.561 176.883 176.300 0.036 0.000 1.149 33 D CA 1.897 55.915 54.000 0.030 0.000 0.682 33 D CB -1.161 39.650 40.800 0.018 0.000 1.068 33 D HN 1.067 nan 8.370 nan 0.000 0.429 34 G N -0.632 108.203 108.800 0.058 0.000 2.179 34 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.260 34 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.260 34 G C 0.132 175.085 174.900 0.089 0.000 0.977 34 G CA 0.590 45.749 45.100 0.098 0.000 0.641 34 G HN 0.520 nan 8.290 nan 0.000 0.533 35 Q N -0.047 119.766 119.800 0.023 0.000 2.306 35 Q HA 0.675 5.015 4.340 -0.000 0.000 0.265 35 Q C -0.071 175.908 176.000 -0.034 0.000 1.022 35 Q CA -1.191 54.615 55.803 0.004 0.000 0.853 35 Q CB 2.007 30.716 28.738 -0.050 0.000 1.327 35 Q HN 0.163 nan 8.270 nan 0.000 0.449 36 I N 2.686 123.256 120.570 -0.000 0.000 2.496 36 I HA -0.024 4.146 4.170 -0.000 0.000 0.285 36 I C 1.006 177.101 176.117 -0.037 0.000 1.080 36 I CA 0.287 61.572 61.300 -0.026 0.000 1.404 36 I CB 1.039 39.062 38.000 0.040 0.000 1.403 36 I HN 0.670 nan 8.210 nan 0.000 0.539 37 V N 2.887 122.780 119.914 -0.036 0.000 3.497 37 V HA 0.575 4.695 4.120 -0.000 0.000 0.272 37 V C 0.557 176.676 176.094 0.042 0.000 1.474 37 V CA 0.192 62.484 62.300 -0.013 0.000 1.025 37 V CB 0.555 32.362 31.823 -0.027 0.000 0.820 37 V HN 0.728 nan 8.190 nan 0.000 0.437 38 G N 0.716 109.537 108.800 0.035 0.000 2.740 38 G HA2 0.730 4.690 3.960 -0.000 0.000 0.296 38 G HA3 0.730 4.690 3.960 -0.000 0.000 0.296 38 G C -1.387 173.543 174.900 0.051 0.000 1.439 38 G CA -0.649 44.486 45.100 0.058 0.000 1.066 38 G HN 0.107 nan 8.290 nan 0.000 0.527 39 M N 1.110 120.745 119.600 0.057 0.000 2.457 39 M HA 0.738 5.217 4.480 -0.000 0.000 0.300 39 M C 0.030 176.369 176.300 0.065 0.000 1.141 39 M CA -0.574 54.754 55.300 0.047 0.000 0.901 39 M CB 2.942 35.555 32.600 0.023 0.000 1.687 39 M HN 0.808 nan 8.290 nan 0.000 0.449 40 G N 1.004 109.849 108.800 0.074 0.000 2.646 40 G HA2 0.892 4.852 3.960 -0.000 0.000 0.291 40 G HA3 0.892 4.852 3.960 -0.000 0.000 0.291 40 G C -2.370 172.591 174.900 0.102 0.000 1.445 40 G CA -0.516 44.650 45.100 0.110 0.000 0.814 40 G HN 0.935 nan 8.290 nan 0.000 0.495 41 A N -0.317 122.581 122.820 0.130 0.000 2.606 41 A HA 0.685 5.005 4.320 -0.000 0.000 0.293 41 A C -1.536 176.175 177.584 0.213 0.000 1.082 41 A CA -0.757 51.352 52.037 0.120 0.000 0.685 41 A CB 1.459 20.483 19.000 0.039 0.000 1.284 41 A HN 1.325 nan 8.150 nan 0.000 0.408 42 H N 1.369 120.485 119.070 0.077 0.000 2.846 42 H HA 0.556 5.112 4.556 -0.000 0.000 0.278 42 H C 0.275 175.642 175.328 0.065 0.000 1.117 42 H CA -0.113 55.990 56.048 0.093 0.000 1.406 42 H CB 0.249 30.021 29.762 0.016 0.000 1.445 42 H HN 0.455 nan 8.280 nan 0.000 0.469 43 L N 3.173 124.281 121.223 -0.192 0.000 2.357 43 L HA 0.225 4.565 4.340 -0.000 0.000 0.211 43 L C 0.460 177.194 176.870 -0.227 0.000 1.075 43 L CA 0.417 55.157 54.840 -0.167 0.000 0.830 43 L CB 0.069 42.067 42.059 -0.102 0.000 0.996 43 L HN 0.352 nan 8.230 nan 0.000 0.467 44 K N 0.061 120.256 120.400 -0.342 0.000 2.427 44 K HA 0.250 4.570 4.320 -0.000 0.000 0.252 44 K C -1.336 175.144 176.600 -0.200 0.000 0.931 44 K CA -0.821 55.352 56.287 -0.189 0.000 0.793 44 K CB 2.276 34.742 32.500 -0.057 0.000 1.211 44 K HN -0.190 nan 8.250 nan 0.000 0.426 45 Y N 0.916 121.181 120.300 -0.058 0.000 2.721 45 Y HA 0.104 4.654 4.550 -0.000 0.000 0.329 45 Y C 1.222 177.190 175.900 0.112 0.000 1.211 45 Y CA 2.074 60.235 58.100 0.102 0.000 1.512 45 Y CB 0.215 38.724 38.460 0.082 0.000 1.249 45 Y HN 1.002 nan 8.280 nan 0.000 0.549 46 G N 3.641 112.048 108.800 -0.654 0.000 2.179 46 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.260 46 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.260 46 G C 0.153 174.987 174.900 -0.110 0.000 0.977 46 G CA 0.414 45.253 45.100 -0.435 0.000 0.641 46 G HN 0.647 nan 8.290 nan 0.000 0.533 47 E N -0.038 120.151 120.200 -0.019 0.000 2.518 47 E HA 0.688 5.038 4.350 -0.000 0.000 0.248 47 E C 0.838 177.460 176.600 0.037 0.000 1.028 47 E CA -0.631 55.764 56.400 -0.008 0.000 0.922 47 E CB 0.842 30.538 29.700 -0.007 0.000 1.299 47 E HN 0.734 nan 8.360 nan 0.000 0.457 48 A N 0.775 123.551 122.820 -0.073 0.000 2.587 48 A HA -0.048 4.272 4.320 -0.000 0.000 0.233 48 A C -0.446 177.167 177.584 0.049 0.000 1.049 48 A CA 0.663 52.574 52.037 -0.210 0.000 0.754 48 A CB -0.457 18.203 19.000 -0.567 0.000 0.977 48 A HN 0.514 nan 8.150 nan 0.000 0.509 49 H N 0.914 119.962 119.070 -0.037 0.000 2.603 49 H HA 0.323 4.879 4.556 -0.000 0.000 0.370 49 H C 1.639 176.997 175.328 0.049 0.000 1.225 49 H CA -0.224 55.853 56.048 0.048 0.000 1.410 49 H CB 1.030 30.751 29.762 -0.067 0.000 1.495 49 H HN 0.826 nan 8.280 nan 0.000 0.602 50 A N 2.314 125.288 122.820 0.256 0.000 1.927 50 A HA -0.286 4.034 4.320 -0.000 0.000 0.220 50 A C 2.014 179.695 177.584 0.161 0.000 1.185 50 A CA 2.144 54.313 52.037 0.220 0.000 0.639 50 A CB -0.491 18.591 19.000 0.138 0.000 0.820 50 A HN 0.829 nan 8.150 nan 0.000 0.451 51 E N -0.535 119.734 120.200 0.115 0.000 2.077 51 E HA -0.090 4.260 4.350 -0.000 0.000 0.193 51 E C 1.937 178.577 176.600 0.066 0.000 0.989 51 E CA 1.144 57.594 56.400 0.083 0.000 0.800 51 E CB -0.417 29.320 29.700 0.061 0.000 0.746 51 E HN 0.357 nan 8.360 nan 0.000 0.452 52 V N 0.743 120.669 119.914 0.020 0.000 2.287 52 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 52 V C 1.866 177.973 176.094 0.020 0.000 1.053 52 V CA 2.287 64.564 62.300 -0.039 0.000 1.027 52 V CB -0.619 31.101 31.823 -0.172 0.000 0.646 52 V HN 0.368 nan 8.190 nan 0.000 0.447 53 H N -0.178 118.936 119.070 0.075 0.000 2.290 53 H HA -0.128 4.428 4.556 -0.000 0.000 0.298 53 H C 2.310 177.698 175.328 0.100 0.000 1.087 53 H CA 1.568 57.658 56.048 0.071 0.000 1.291 53 H CB -0.247 29.545 29.762 0.050 0.000 1.369 53 H HN 0.459 nan 8.280 nan 0.000 0.492 54 A N 0.870 123.819 122.820 0.216 0.000 1.877 54 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 54 A C 2.381 180.038 177.584 0.122 0.000 1.186 54 A CA 1.560 53.684 52.037 0.144 0.000 0.620 54 A CB -0.687 18.379 19.000 0.111 0.000 0.822 54 A HN 0.356 nan 8.150 nan 0.000 0.443 55 I N -1.261 119.373 120.570 0.108 0.000 2.315 55 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 55 I C 2.603 178.764 176.117 0.073 0.000 1.117 55 I CA 1.503 62.847 61.300 0.074 0.000 1.404 55 I CB -0.548 37.483 38.000 0.052 0.000 1.071 55 I HN 0.552 nan 8.210 nan 0.000 0.419 56 H N 1.524 120.619 119.070 0.042 0.000 2.299 56 H HA -0.214 4.342 4.556 -0.000 0.000 0.302 56 H C 2.246 177.602 175.328 0.047 0.000 1.078 56 H CA 1.988 58.058 56.048 0.037 0.000 1.323 56 H CB -0.234 29.555 29.762 0.045 0.000 1.381 56 H HN 0.250 nan 8.280 nan 0.000 0.498 57 M N 0.409 120.142 119.600 0.222 0.000 2.195 57 M HA -0.173 4.307 4.480 -0.000 0.000 0.260 57 M C 2.265 178.604 176.300 0.064 0.000 1.066 57 M CA 1.883 57.277 55.300 0.156 0.000 1.089 57 M CB -0.187 32.506 32.600 0.156 0.000 1.377 57 M HN 0.371 nan 8.290 nan 0.000 0.411 58 A N -0.092 122.761 122.820 0.054 0.000 2.067 58 A HA 0.303 4.623 4.320 -0.000 0.000 0.217 58 A C 1.650 179.249 177.584 0.025 0.000 1.156 58 A CA 1.190 53.278 52.037 0.084 0.000 0.683 58 A CB -1.075 17.975 19.000 0.082 0.000 0.808 58 A HN 0.743 nan 8.150 nan 0.000 0.455 59 G N -0.733 108.013 108.800 -0.090 0.000 2.622 59 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.307 59 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.307 59 G C 1.370 176.182 174.900 -0.147 0.000 1.226 59 G CA 1.379 46.379 45.100 -0.167 0.000 0.997 59 G HN 1.503 nan 8.290 nan 0.000 0.551 60 A N -1.270 121.412 122.820 -0.230 0.000 2.167 60 A HA 0.190 4.510 4.320 -0.000 0.000 0.214 60 A C 1.833 179.327 177.584 -0.149 0.000 1.151 60 A CA 1.819 53.742 52.037 -0.191 0.000 0.735 60 A CB -0.510 18.363 19.000 -0.212 0.000 0.802 60 A HN 0.725 nan 8.150 nan 0.000 0.467 61 H N -0.184 118.873 119.070 -0.022 0.000 2.521 61 H HA 0.034 4.590 4.556 -0.000 0.000 0.286 61 H C 2.350 177.672 175.328 -0.011 0.000 1.034 61 H CA 0.882 56.922 56.048 -0.012 0.000 1.278 61 H CB -0.380 29.377 29.762 -0.009 0.000 1.386 61 H HN 0.546 nan 8.280 nan 0.000 0.567 62 A N 1.157 124.021 122.820 0.073 0.000 1.972 62 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 62 A C 1.379 178.979 177.584 0.026 0.000 1.169 62 A CA 0.551 52.613 52.037 0.041 0.000 0.635 62 A CB -0.428 18.580 19.000 0.012 0.000 0.810 62 A HN 0.454 nan 8.150 nan 0.000 0.446 63 E N -0.510 119.700 120.200 0.017 0.000 2.493 63 E HA 0.313 4.663 4.350 -0.000 0.000 0.255 63 E C 1.059 177.672 176.600 0.021 0.000 0.999 63 E CA 0.694 57.100 56.400 0.010 0.000 0.934 63 E CB -0.276 29.424 29.700 -0.000 0.000 0.940 63 E HN 0.793 nan 8.360 nan 0.000 0.473 64 G N 2.550 111.356 108.800 0.011 0.000 2.155 64 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.257 64 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.257 64 G C 0.319 175.230 174.900 0.019 0.000 0.983 64 G CA 0.246 45.354 45.100 0.014 0.000 0.676 64 G HN 0.842 nan 8.290 nan 0.000 0.528 65 A N -0.908 121.924 122.820 0.019 0.000 2.274 65 A HA 0.756 5.076 4.320 -0.000 0.000 0.297 65 A C -0.043 177.545 177.584 0.007 0.000 1.191 65 A CA -0.103 51.947 52.037 0.023 0.000 0.889 65 A CB 0.765 19.784 19.000 0.032 0.000 1.294 65 A HN 0.185 nan 8.150 nan 0.000 0.506 66 D N -0.577 119.832 120.400 0.015 0.000 2.433 66 D HA 0.607 5.247 4.640 -0.000 0.000 0.236 66 D C -1.186 175.102 176.300 -0.021 0.000 1.026 66 D CA 0.106 54.100 54.000 -0.009 0.000 0.884 66 D CB 2.037 42.883 40.800 0.077 0.000 1.384 66 D HN 0.433 nan 8.370 nan 0.000 0.477 67 I N 1.395 121.907 120.570 -0.097 0.000 2.569 67 I HA 0.311 4.481 4.170 -0.000 0.000 0.290 67 I C -1.585 174.480 176.117 -0.086 0.000 1.088 67 I CA -0.787 60.501 61.300 -0.021 0.000 1.047 67 I CB 1.326 39.329 38.000 0.005 0.000 1.237 67 I HN 0.215 nan 8.210 nan 0.000 0.421 68 Y N 6.207 126.567 120.300 0.100 0.000 2.331 68 Y HA 0.591 5.141 4.550 -0.000 0.000 0.338 68 Y C -0.279 175.664 175.900 0.073 0.000 0.992 68 Y CA -0.707 57.469 58.100 0.127 0.000 1.121 68 Y CB 1.748 40.251 38.460 0.071 0.000 1.184 68 Y HN 0.174 nan 8.280 nan 0.000 0.469 69 V N 0.472 120.494 119.914 0.181 0.000 2.709 69 V HA 0.314 4.434 4.120 -0.000 0.000 0.308 69 V C 0.519 176.671 176.094 0.095 0.000 1.062 69 V CA -0.874 61.489 62.300 0.106 0.000 0.901 69 V CB 1.549 33.404 31.823 0.054 0.000 1.003 69 V HN 0.849 nan 8.190 nan 0.000 0.425 70 T N 0.926 115.517 114.554 0.062 0.000 3.085 70 T HA 0.274 4.624 4.350 -0.000 0.000 0.263 70 T C 0.368 175.082 174.700 0.024 0.000 1.127 70 T CA 0.702 62.828 62.100 0.044 0.000 1.103 70 T CB 0.108 68.987 68.868 0.019 0.000 0.921 70 T HN 0.384 nan 8.240 nan 0.000 0.510 71 L N 0.317 121.544 121.223 0.007 0.000 2.415 71 L HA 0.460 4.800 4.340 -0.000 0.000 0.256 71 L C -0.751 176.115 176.870 -0.007 0.000 1.010 71 L CA -1.024 53.811 54.840 -0.009 0.000 0.826 71 L CB 2.923 44.949 42.059 -0.055 0.000 1.405 71 L HN 0.090 nan 8.230 nan 0.000 0.410 72 E N 3.075 123.273 120.200 -0.002 0.000 2.351 72 E HA 0.136 4.486 4.350 -0.000 0.000 0.266 72 E C -2.220 174.369 176.600 -0.017 0.000 1.031 72 E CA -1.374 55.025 56.400 -0.003 0.000 0.911 72 E CB 0.826 30.529 29.700 0.006 0.000 0.986 72 E HN 0.192 nan 8.360 nan 0.000 0.446 73 P HA -0.087 nan 4.420 nan 0.000 0.262 73 P C -0.370 176.927 177.300 -0.004 0.000 1.182 73 P CA -0.267 62.826 63.100 -0.013 0.000 0.761 73 P CB 0.046 31.740 31.700 -0.010 0.000 0.795 74 C N 1.873 121.183 119.300 0.017 0.000 2.665 74 C HA 0.273 4.733 4.460 -0.000 0.000 0.416 74 C C 1.342 176.335 174.990 0.004 0.000 1.305 74 C CA 0.475 59.537 59.018 0.074 0.000 1.903 74 C CB -0.716 27.150 27.740 0.210 0.000 2.704 74 C HN 0.656 nan 8.230 nan 0.000 0.629 75 S N 0.167 115.879 115.700 0.020 0.000 2.780 75 S HA 0.162 4.632 4.470 -0.000 0.000 0.248 75 S C 0.348 174.782 174.600 -0.276 0.000 1.036 75 S CA -0.273 57.849 58.200 -0.130 0.000 1.061 75 S CB -0.578 62.589 63.200 -0.055 0.000 1.037 75 S HN 1.069 nan 8.310 nan 0.000 0.584 76 H N 0.248 119.153 119.070 -0.274 0.000 2.508 76 H HA 0.491 5.047 4.556 -0.000 0.000 0.358 76 H C -1.495 173.560 175.328 -0.455 0.000 1.212 76 H CA -0.494 55.392 56.048 -0.271 0.000 1.356 76 H CB 0.156 29.873 29.762 -0.074 0.000 1.525 76 H HN 0.209 nan 8.280 nan 0.000 0.578 77 Y N 0.152 120.447 120.300 -0.007 0.000 2.342 77 Y HA 0.472 5.022 4.550 -0.000 0.000 0.338 77 Y C 0.829 176.716 175.900 -0.022 0.000 0.965 77 Y CA 0.249 58.305 58.100 -0.073 0.000 1.159 77 Y CB 1.740 40.189 38.460 -0.018 0.000 1.157 77 Y HN 0.944 nan 8.280 nan 0.000 0.486 78 G N 1.970 110.782 108.800 0.019 0.000 3.340 78 G HA2 0.183 4.143 3.960 -0.000 0.000 0.176 78 G HA3 0.183 4.143 3.960 -0.000 0.000 0.176 78 G C 0.346 175.264 174.900 0.031 0.000 1.103 78 G CA -0.635 44.496 45.100 0.052 0.000 0.779 78 G HN 0.289 nan 8.290 nan 0.000 0.673 79 K N 0.394 120.798 120.400 0.008 0.000 2.365 79 K HA 0.102 4.422 4.320 -0.000 0.000 0.199 79 K C 0.764 177.352 176.600 -0.020 0.000 1.045 79 K CA 1.079 57.365 56.287 -0.000 0.000 0.962 79 K CB -0.268 32.230 32.500 -0.003 0.000 0.759 79 K HN 0.604 nan 8.250 nan 0.000 0.469 80 T N -0.784 113.739 114.554 -0.050 0.000 2.868 80 T HA 0.394 4.744 4.350 -0.000 0.000 0.306 80 T C -2.979 171.673 174.700 -0.081 0.000 1.224 80 T CA -1.904 60.160 62.100 -0.061 0.000 1.012 80 T CB 2.429 71.243 68.868 -0.090 0.000 1.221 80 T HN -0.195 nan 8.240 nan 0.000 0.499 81 P HA 0.271 nan 4.420 nan 0.000 0.269 81 P C -2.507 174.697 177.300 -0.159 0.000 1.209 81 P CA -0.910 62.157 63.100 -0.056 0.000 0.776 81 P CB -0.464 31.234 31.700 -0.003 0.000 0.876 82 P HA 0.064 nan 4.420 nan 0.000 0.272 82 P C 0.670 177.889 177.300 -0.136 0.000 1.230 82 P CA -0.284 62.648 63.100 -0.281 0.000 0.788 82 P CB 0.609 32.048 31.700 -0.435 0.000 0.949 83 C N 1.379 120.639 119.300 -0.066 0.000 2.425 83 C HA -0.095 4.365 4.460 -0.000 0.000 0.277 83 C C 2.968 177.941 174.990 -0.029 0.000 1.280 83 C CA 1.477 60.484 59.018 -0.019 0.000 1.744 83 C CB -1.972 25.794 27.740 0.044 0.000 1.989 83 C HN 0.678 nan 8.230 nan 0.000 0.491 84 A N 0.508 123.302 122.820 -0.044 0.000 1.940 84 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 84 A C 2.018 179.583 177.584 -0.032 0.000 1.176 84 A CA 2.166 54.181 52.037 -0.037 0.000 0.631 84 A CB -0.509 18.465 19.000 -0.042 0.000 0.814 84 A HN 0.604 nan 8.150 nan 0.000 0.446 85 E N -0.531 119.643 120.200 -0.043 0.000 2.047 85 E HA -0.118 4.231 4.350 -0.000 0.000 0.191 85 E C 1.887 178.480 176.600 -0.012 0.000 0.987 85 E CA 0.740 57.132 56.400 -0.014 0.000 0.799 85 E CB -0.217 29.482 29.700 -0.002 0.000 0.752 85 E HN 0.338 nan 8.360 nan 0.000 0.449 86 L N 0.714 121.924 121.223 -0.022 0.000 2.079 86 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 86 L C 2.173 179.037 176.870 -0.009 0.000 1.081 86 L CA 1.620 56.451 54.840 -0.015 0.000 0.752 86 L CB -0.808 41.240 42.059 -0.018 0.000 0.896 86 L HN 0.340 nan 8.230 nan 0.000 0.433 87 I N -0.818 119.745 120.570 -0.012 0.000 2.202 87 I HA -0.338 3.832 4.170 -0.000 0.000 0.242 87 I C 2.455 178.563 176.117 -0.016 0.000 1.091 87 I CA 1.066 62.358 61.300 -0.013 0.000 1.368 87 I CB -0.096 37.892 38.000 -0.019 0.000 1.058 87 I HN 0.165 nan 8.210 nan 0.000 0.410 88 I N 0.836 121.397 120.570 -0.015 0.000 2.127 88 I HA -0.345 3.825 4.170 -0.000 0.000 0.241 88 I C 2.032 178.144 176.117 -0.009 0.000 1.075 88 I CA 2.010 63.303 61.300 -0.013 0.000 1.334 88 I CB -0.643 37.354 38.000 -0.006 0.000 1.040 88 I HN 0.296 nan 8.210 nan 0.000 0.405 89 N N 0.277 118.973 118.700 -0.006 0.000 2.223 89 N HA -0.180 4.560 4.740 -0.000 0.000 0.185 89 N C 1.816 177.321 175.510 -0.009 0.000 1.016 89 N CA 1.375 54.422 53.050 -0.005 0.000 0.863 89 N CB -0.084 38.401 38.487 -0.002 0.000 0.983 89 N HN 0.357 nan 8.380 nan 0.000 0.429 90 S N -0.389 115.306 115.700 -0.009 0.000 2.555 90 S HA 0.096 4.565 4.470 -0.000 0.000 0.230 90 S C 1.525 176.119 174.600 -0.011 0.000 0.978 90 S CA 0.728 58.921 58.200 -0.011 0.000 0.934 90 S CB 0.044 63.240 63.200 -0.007 0.000 0.766 90 S HN 0.459 nan 8.310 nan 0.000 0.533 91 G N 0.672 109.466 108.800 -0.011 0.000 2.157 91 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.239 91 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.239 91 G C 0.041 174.934 174.900 -0.011 0.000 0.982 91 G CA -0.014 45.080 45.100 -0.010 0.000 0.650 91 G HN 0.581 nan 8.290 nan 0.000 0.527 92 I N 0.745 121.307 120.570 -0.014 0.000 2.752 92 I HA 0.038 4.208 4.170 -0.000 0.000 0.289 92 I C 1.692 177.789 176.117 -0.034 0.000 1.197 92 I CA 0.075 61.363 61.300 -0.021 0.000 1.432 92 I CB 0.742 38.727 38.000 -0.026 0.000 1.359 92 I HN -0.051 nan 8.210 nan 0.000 0.571 93 K N 5.513 125.890 120.400 -0.037 0.000 2.211 93 K HA 0.115 4.435 4.320 -0.000 0.000 0.201 93 K C 0.616 177.164 176.600 -0.086 0.000 1.052 93 K CA 0.798 57.057 56.287 -0.047 0.000 0.973 93 K CB 0.077 32.559 32.500 -0.029 0.000 0.766 93 K HN 0.564 nan 8.250 nan 0.000 0.466 94 R N 0.038 120.465 120.500 -0.122 0.000 2.604 94 R HA 0.314 4.654 4.340 -0.000 0.000 0.270 94 R C -1.753 174.367 176.300 -0.301 0.000 1.052 94 R CA -0.340 55.624 56.100 -0.227 0.000 0.902 94 R CB 1.685 31.824 30.300 -0.267 0.000 1.233 94 R HN -0.229 nan 8.270 nan 0.000 0.455 95 V N 4.162 123.858 119.914 -0.362 0.000 2.555 95 V HA 0.566 4.686 4.120 -0.000 0.000 0.302 95 V C -0.964 174.836 176.094 -0.491 0.000 1.038 95 V CA -0.603 61.505 62.300 -0.319 0.000 0.887 95 V CB 1.694 33.417 31.823 -0.168 0.000 0.991 95 V HN 0.572 nan 8.190 nan 0.000 0.434 96 F N 3.026 122.818 119.950 -0.262 0.000 2.375 96 F HA 0.586 5.113 4.527 -0.000 0.000 0.361 96 F C -0.000 175.766 175.800 -0.056 0.000 1.117 96 F CA -0.654 57.240 58.000 -0.177 0.000 1.037 96 F CB 1.861 40.685 39.000 -0.293 0.000 1.192 96 F HN 0.162 nan 8.300 nan 0.000 0.452 97 V N 4.448 124.430 119.914 0.114 0.000 2.357 97 V HA 0.403 4.523 4.120 -0.000 0.000 0.284 97 V C 0.786 176.943 176.094 0.106 0.000 1.018 97 V CA -0.453 61.900 62.300 0.087 0.000 0.841 97 V CB 0.938 32.780 31.823 0.031 0.000 0.991 97 V HN 0.957 nan 8.190 nan 0.000 0.437 98 A N 5.977 128.860 122.820 0.106 0.000 1.851 98 A HA -0.005 4.315 4.320 -0.000 0.000 0.216 98 A C 0.928 178.552 177.584 0.068 0.000 1.195 98 A CA 2.037 54.128 52.037 0.091 0.000 0.622 98 A CB -0.141 18.904 19.000 0.074 0.000 0.831 98 A HN 0.919 nan 8.150 nan 0.000 0.444 99 M N -3.487 116.146 119.600 0.054 0.000 2.618 99 M HA 0.673 5.153 4.480 -0.000 0.000 0.281 99 M C -0.707 175.617 176.300 0.039 0.000 1.267 99 M CA -0.900 54.428 55.300 0.047 0.000 0.845 99 M CB 1.796 34.425 32.600 0.050 0.000 1.732 99 M HN 0.011 nan 8.290 nan 0.000 0.461 100 R N 0.489 121.011 120.500 0.037 0.000 2.580 100 R HA 0.331 4.671 4.340 -0.000 0.000 0.267 100 R C -0.832 175.492 176.300 0.040 0.000 1.125 100 R CA -0.338 55.781 56.100 0.031 0.000 1.188 100 R CB 0.501 30.815 30.300 0.024 0.000 1.155 100 R HN 0.718 nan 8.270 nan 0.000 0.586 101 D N 0.028 120.450 120.400 0.036 0.000 2.382 101 D HA 0.045 4.685 4.640 -0.000 0.000 0.245 101 D C -1.623 174.711 176.300 0.055 0.000 1.120 101 D CA -1.278 52.754 54.000 0.053 0.000 0.890 101 D CB 1.131 41.955 40.800 0.041 0.000 1.201 101 D HN 0.144 nan 8.370 nan 0.000 0.433 102 P HA -0.122 nan 4.420 nan 0.000 0.214 102 P C -0.085 177.210 177.300 -0.008 0.000 1.162 102 P CA 0.591 63.719 63.100 0.047 0.000 0.879 102 P CB 0.049 31.792 31.700 0.071 0.000 0.786 103 N N 1.023 119.717 118.700 -0.010 0.000 2.411 103 N HA -0.041 4.699 4.740 -0.000 0.000 0.282 103 N C -1.377 174.119 175.510 -0.023 0.000 1.322 103 N CA -0.908 52.121 53.050 -0.035 0.000 0.943 103 N CB 0.072 38.544 38.487 -0.025 0.000 1.266 103 N HN 0.113 nan 8.380 nan 0.000 0.486 104 P HA -0.160 nan 4.420 nan 0.000 0.229 104 P C 1.194 178.485 177.300 -0.016 0.000 1.150 104 P CA 0.423 63.509 63.100 -0.023 0.000 0.765 104 P CB 0.429 32.110 31.700 -0.033 0.000 0.783 105 L N -0.754 120.458 121.223 -0.018 0.000 2.477 105 L HA 0.093 4.433 4.340 -0.000 0.000 0.220 105 L C 1.672 178.542 176.870 0.000 0.000 1.106 105 L CA 0.984 55.818 54.840 -0.010 0.000 0.851 105 L CB -0.176 41.874 42.059 -0.015 0.000 0.994 105 L HN -0.134 nan 8.230 nan 0.000 0.462 106 V N -0.296 119.618 119.914 -0.000 0.000 3.612 106 V HA 0.312 4.432 4.120 -0.000 0.000 0.268 106 V C 1.213 177.315 176.094 0.012 0.000 1.365 106 V CA 0.375 62.681 62.300 0.009 0.000 1.044 106 V CB 0.406 32.232 31.823 0.005 0.000 0.820 106 V HN 0.342 nan 8.190 nan 0.000 0.444 107 A N 1.020 123.846 122.820 0.009 0.000 2.563 107 A HA 0.384 4.703 4.320 -0.000 0.000 0.256 107 A C 1.674 179.264 177.584 0.010 0.000 1.056 107 A CA 1.132 53.176 52.037 0.011 0.000 0.775 107 A CB -0.955 18.049 19.000 0.007 0.000 0.973 107 A HN 1.518 nan 8.150 nan 0.000 0.516 108 G N 2.056 110.862 108.800 0.010 0.000 2.205 108 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.261 108 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.261 108 G C 1.278 176.182 174.900 0.007 0.000 0.980 108 G CA 0.829 45.933 45.100 0.007 0.000 0.632 108 G HN 0.903 nan 8.290 nan 0.000 0.533 109 R N 0.683 121.189 120.500 0.011 0.000 2.075 109 R HA -0.012 4.328 4.340 -0.000 0.000 0.232 109 R C 2.811 179.116 176.300 0.008 0.000 1.126 109 R CA 2.168 58.277 56.100 0.015 0.000 0.963 109 R CB -0.791 29.523 30.300 0.023 0.000 0.858 109 R HN 0.466 nan 8.270 nan 0.000 0.435 110 G N 1.351 110.152 108.800 0.001 0.000 2.408 110 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.217 110 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.217 110 G C 1.423 176.315 174.900 -0.012 0.000 1.150 110 G CA 0.317 45.411 45.100 -0.009 0.000 0.776 110 G HN 0.159 nan 8.290 nan 0.000 0.542 111 I N 1.359 121.923 120.570 -0.011 0.000 2.226 111 I HA -0.141 4.029 4.170 -0.000 0.000 0.245 111 I C 2.891 178.998 176.117 -0.016 0.000 1.100 111 I CA 1.500 62.789 61.300 -0.018 0.000 1.374 111 I CB -1.191 36.800 38.000 -0.014 0.000 1.057 111 I HN 0.236 nan 8.210 nan 0.000 0.413 112 S N 0.290 115.986 115.700 -0.007 0.000 2.368 112 S HA -0.188 4.282 4.470 -0.000 0.000 0.225 112 S C 2.149 176.749 174.600 -0.001 0.000 1.030 112 S CA 1.281 59.479 58.200 -0.003 0.000 0.999 112 S CB -0.117 63.087 63.200 0.006 0.000 0.844 112 S HN 0.280 nan 8.310 nan 0.000 0.459 113 M N 0.395 119.997 119.600 0.003 0.000 2.065 113 M HA -0.157 4.323 4.480 -0.000 0.000 0.259 113 M C 2.287 178.585 176.300 -0.003 0.000 1.069 113 M CA 1.949 57.254 55.300 0.009 0.000 1.110 113 M CB -0.364 32.243 32.600 0.011 0.000 1.328 113 M HN 0.428 nan 8.290 nan 0.000 0.405 114 M N -0.776 118.814 119.600 -0.016 0.000 2.117 114 M HA -0.238 4.242 4.480 -0.000 0.000 0.262 114 M C 2.003 178.284 176.300 -0.031 0.000 1.065 114 M CA 1.660 56.944 55.300 -0.027 0.000 1.114 114 M CB -0.576 31.999 32.600 -0.041 0.000 1.361 114 M HN 0.149 nan 8.290 nan 0.000 0.408 115 K N 0.308 120.690 120.400 -0.030 0.000 2.097 115 K HA -0.210 4.110 4.320 -0.000 0.000 0.206 115 K C 1.911 178.499 176.600 -0.021 0.000 1.049 115 K CA 1.438 57.706 56.287 -0.031 0.000 0.933 115 K CB -0.188 32.295 32.500 -0.028 0.000 0.717 115 K HN 0.399 nan 8.250 nan 0.000 0.442 116 E N 0.528 120.721 120.200 -0.012 0.000 2.153 116 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 116 E C 1.210 177.805 176.600 -0.008 0.000 0.988 116 E CA 0.910 57.306 56.400 -0.006 0.000 0.811 116 E CB 0.039 29.740 29.700 0.002 0.000 0.746 116 E HN 0.285 nan 8.360 nan 0.000 0.466 117 A N 0.059 122.872 122.820 -0.011 0.000 2.302 117 A HA 0.314 4.634 4.320 -0.000 0.000 0.219 117 A C 1.445 179.017 177.584 -0.019 0.000 1.243 117 A CA 0.651 52.681 52.037 -0.012 0.000 0.856 117 A CB -0.465 18.528 19.000 -0.011 0.000 0.893 117 A HN 0.435 nan 8.150 nan 0.000 0.491 118 G N -0.587 108.199 108.800 -0.023 0.000 2.160 118 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.251 118 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.251 118 G C 0.040 174.915 174.900 -0.041 0.000 1.008 118 G CA 0.370 45.453 45.100 -0.029 0.000 0.724 118 G HN 0.493 nan 8.290 nan 0.000 0.514 119 I N 0.617 121.157 120.570 -0.050 0.000 2.365 119 I HA 0.267 4.437 4.170 -0.000 0.000 0.291 119 I C 0.816 176.876 176.117 -0.095 0.000 1.004 119 I CA -0.522 60.735 61.300 -0.072 0.000 1.311 119 I CB 1.359 39.316 38.000 -0.072 0.000 1.401 119 I HN 0.248 nan 8.210 nan 0.000 0.491 120 E N 5.928 126.053 120.200 -0.125 0.000 2.290 120 E HA 0.262 4.612 4.350 -0.000 0.000 0.277 120 E C -1.364 175.103 176.600 -0.221 0.000 1.035 120 E CA -0.440 55.868 56.400 -0.153 0.000 0.873 120 E CB 1.027 30.630 29.700 -0.162 0.000 1.029 120 E HN 0.335 nan 8.360 nan 0.000 0.419 121 V N 6.621 126.425 119.914 -0.182 0.000 2.334 121 V HA 0.345 4.465 4.120 -0.000 0.000 0.281 121 V C -0.104 175.878 176.094 -0.187 0.000 1.016 121 V CA -0.794 61.389 62.300 -0.195 0.000 0.832 121 V CB 1.142 32.897 31.823 -0.113 0.000 0.999 121 V HN 0.606 nan 8.190 nan 0.000 0.439 122 R N 3.706 124.037 120.500 -0.283 0.000 2.295 122 R HA 0.570 4.910 4.340 -0.000 0.000 0.324 122 R C -0.239 176.056 176.300 -0.008 0.000 0.968 122 R CA -0.323 55.689 56.100 -0.145 0.000 0.837 122 R CB 1.944 32.124 30.300 -0.199 0.000 1.133 122 R HN 0.739 nan 8.270 nan 0.000 0.450 123 E N -0.287 119.935 120.200 0.037 0.000 2.232 123 E HA 0.517 4.867 4.350 -0.000 0.000 0.264 123 E C 0.494 177.150 176.600 0.094 0.000 0.973 123 E CA -0.545 55.894 56.400 0.065 0.000 0.849 123 E CB 1.651 31.372 29.700 0.034 0.000 1.198 123 E HN 0.696 nan 8.360 nan 0.000 0.407 124 G N 0.871 109.727 108.800 0.093 0.000 2.213 124 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.236 124 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.236 124 G C 0.091 175.048 174.900 0.095 0.000 0.991 124 G CA -0.411 44.740 45.100 0.085 0.000 0.629 124 G HN 0.376 nan 8.290 nan 0.000 0.517 125 I N 2.104 122.754 120.570 0.133 0.000 2.664 125 I HA 0.241 4.411 4.170 -0.000 0.000 0.284 125 I C 1.719 177.886 176.117 0.083 0.000 1.154 125 I CA 0.545 61.915 61.300 0.117 0.000 1.402 125 I CB 0.244 38.340 38.000 0.160 0.000 1.395 125 I HN 0.407 nan 8.210 nan 0.000 0.545 126 L N 5.212 126.467 121.223 0.053 0.000 3.839 126 L HA -0.360 3.980 4.340 -0.000 0.000 0.416 126 L C 1.779 178.673 176.870 0.040 0.000 1.195 126 L CA 0.400 55.262 54.840 0.036 0.000 0.946 126 L CB -1.859 40.212 42.059 0.020 0.000 1.891 126 L HN 0.812 nan 8.230 nan 0.000 0.963 127 A N -0.420 122.429 122.820 0.048 0.000 1.948 127 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 127 A C 1.853 179.461 177.584 0.039 0.000 1.177 127 A CA 2.181 54.246 52.037 0.047 0.000 0.636 127 A CB -0.209 18.820 19.000 0.049 0.000 0.815 127 A HN 0.617 nan 8.150 nan 0.000 0.449 128 D N -0.337 120.084 120.400 0.035 0.000 2.106 128 D HA -0.192 4.448 4.640 -0.000 0.000 0.191 128 D C 2.174 178.491 176.300 0.028 0.000 0.997 128 D CA 1.726 55.745 54.000 0.031 0.000 0.834 128 D CB -0.532 40.284 40.800 0.027 0.000 0.956 128 D HN 0.656 nan 8.370 nan 0.000 0.448 129 Q N 0.193 120.006 119.800 0.022 0.000 2.079 129 Q HA -0.042 4.297 4.340 -0.000 0.000 0.200 129 Q C 2.260 178.269 176.000 0.015 0.000 0.974 129 Q CA 1.247 57.058 55.803 0.014 0.000 0.840 129 Q CB -0.138 28.603 28.738 0.006 0.000 0.898 129 Q HN 0.230 nan 8.270 nan 0.000 0.430 130 A N 0.987 123.820 122.820 0.021 0.000 1.972 130 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 130 A C 1.901 179.502 177.584 0.029 0.000 1.169 130 A CA 1.698 53.748 52.037 0.021 0.000 0.635 130 A CB -0.382 18.636 19.000 0.030 0.000 0.810 130 A HN 0.267 nan 8.150 nan 0.000 0.446 131 E N 0.062 120.285 120.200 0.038 0.000 2.077 131 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 131 E C 2.281 178.908 176.600 0.046 0.000 0.989 131 E CA 1.234 57.666 56.400 0.052 0.000 0.800 131 E CB -0.133 29.599 29.700 0.053 0.000 0.746 131 E HN 0.485 nan 8.360 nan 0.000 0.452 132 R N -0.013 120.505 120.500 0.030 0.000 2.073 132 R HA -0.143 4.197 4.340 -0.000 0.000 0.234 132 R C 2.491 178.792 176.300 0.001 0.000 1.134 132 R CA 1.166 57.276 56.100 0.018 0.000 0.952 132 R CB -1.089 29.218 30.300 0.012 0.000 0.850 132 R HN 0.262 nan 8.270 nan 0.000 0.433 133 L N 1.432 122.654 121.223 -0.002 0.000 2.034 133 L HA -0.235 4.105 4.340 -0.000 0.000 0.217 133 L C 0.447 177.301 176.870 -0.026 0.000 1.077 133 L CA 2.052 56.880 54.840 -0.019 0.000 0.769 133 L CB -0.342 41.705 42.059 -0.021 0.000 0.890 133 L HN 0.212 nan 8.230 nan 0.000 0.435 134 N N -1.301 117.399 118.700 0.001 0.000 2.416 134 N HA 0.028 4.768 4.740 -0.000 0.000 0.267 134 N C 0.905 176.479 175.510 0.107 0.000 1.294 134 N CA 0.189 53.258 53.050 0.031 0.000 0.891 134 N CB 0.299 38.784 38.487 -0.004 0.000 1.238 134 N HN 0.381 nan 8.380 nan 0.000 0.508 135 E N 1.735 121.959 120.200 0.039 0.000 2.136 135 E HA -0.319 4.030 4.350 -0.000 0.000 0.202 135 E C 1.094 177.719 176.600 0.040 0.000 1.019 135 E CA 1.548 57.973 56.400 0.042 0.000 0.819 135 E CB 0.189 29.879 29.700 -0.018 0.000 0.739 135 E HN 0.347 nan 8.360 nan 0.000 0.458 136 K N -0.523 119.808 120.400 -0.115 0.000 2.062 136 K HA -0.099 4.221 4.320 -0.000 0.000 0.205 136 K C 2.098 178.818 176.600 0.199 0.000 1.051 136 K CA 1.240 57.453 56.287 -0.123 0.000 0.941 136 K CB -0.336 31.971 32.500 -0.321 0.000 0.719 136 K HN 0.170 nan 8.250 nan 0.000 0.440 137 F N 1.723 121.705 119.950 0.053 0.000 2.102 137 F HA -0.184 4.343 4.527 -0.000 0.000 0.298 137 F C 1.782 177.694 175.800 0.186 0.000 1.105 137 F CA 1.033 59.104 58.000 0.119 0.000 1.239 137 F CB -0.219 38.812 39.000 0.051 0.000 0.991 137 F HN -0.148 nan 8.300 nan 0.000 0.474 138 L N 0.410 121.852 121.223 0.365 0.000 2.127 138 L HA -0.228 4.112 4.340 -0.000 0.000 0.211 138 L C 2.399 179.360 176.870 0.150 0.000 1.089 138 L CA 2.209 57.194 54.840 0.242 0.000 0.757 138 L CB -1.451 40.752 42.059 0.240 0.000 0.899 138 L HN 0.414 nan 8.230 nan 0.000 0.434 139 H N -1.973 117.178 119.070 0.135 0.000 2.317 139 H HA -0.186 4.370 4.556 -0.000 0.000 0.304 139 H C 2.107 177.491 175.328 0.093 0.000 1.067 139 H CA 1.661 57.796 56.048 0.146 0.000 1.352 139 H CB -0.340 29.603 29.762 0.302 0.000 1.398 139 H HN 0.219 nan 8.280 nan 0.000 0.510 140 F N 0.544 120.489 119.950 -0.008 0.000 2.095 140 F HA -0.250 4.277 4.527 -0.000 0.000 0.298 140 F C 2.049 177.716 175.800 -0.221 0.000 1.104 140 F CA 1.657 59.591 58.000 -0.109 0.000 1.232 140 F CB -0.270 38.703 39.000 -0.045 0.000 0.987 140 F HN 0.193 nan 8.300 nan 0.000 0.475 141 M N 0.259 119.695 119.600 -0.273 0.000 2.117 141 M HA -0.156 4.323 4.480 -0.000 0.000 0.262 141 M C 2.087 178.198 176.300 -0.315 0.000 1.065 141 M CA 1.682 56.763 55.300 -0.365 0.000 1.114 141 M CB -1.170 31.209 32.600 -0.368 0.000 1.361 141 M HN 0.152 nan 8.290 nan 0.000 0.408 142 R N -0.497 119.857 120.500 -0.244 0.000 2.313 142 R HA -0.000 4.340 4.340 -0.000 0.000 0.199 142 R C 1.486 177.632 176.300 -0.257 0.000 0.958 142 R CA 1.256 57.238 56.100 -0.196 0.000 1.047 142 R CB -0.126 30.109 30.300 -0.109 0.000 0.955 142 R HN 0.528 nan 8.270 nan 0.000 0.481 143 T N -5.727 108.600 114.554 -0.379 0.000 3.186 143 T HA 0.173 4.523 4.350 -0.000 0.000 0.292 143 T C 1.270 175.759 174.700 -0.351 0.000 0.915 143 T CA 0.350 62.238 62.100 -0.353 0.000 0.902 143 T CB 0.970 69.554 68.868 -0.473 0.000 1.192 143 T HN 0.191 nan 8.240 nan 0.000 0.563 144 G N 1.681 110.178 108.800 -0.505 0.000 2.186 144 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.266 144 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.266 144 G C -0.098 174.535 174.900 -0.445 0.000 0.982 144 G CA 0.792 45.562 45.100 -0.550 0.000 0.670 144 G HN 0.689 nan 8.290 nan 0.000 0.533 145 L N -0.050 120.962 121.223 -0.352 0.000 2.354 145 L HA 0.465 4.805 4.340 -0.000 0.000 0.269 145 L C -2.272 174.783 176.870 0.310 0.000 1.005 145 L CA -2.464 52.370 54.840 -0.010 0.000 0.819 145 L CB 2.361 44.432 42.059 0.020 0.000 1.311 145 L HN -0.185 nan 8.230 nan 0.000 0.423 146 P HA -0.005 nan 4.420 nan 0.000 0.271 146 P C -1.226 176.382 177.300 0.512 0.000 1.218 146 P CA 0.006 63.416 63.100 0.517 0.000 0.780 146 P CB 0.280 32.192 31.700 0.353 0.000 0.901 147 Y N 3.244 123.761 120.300 0.361 0.000 2.377 147 Y HA 0.307 4.857 4.550 -0.000 0.000 0.330 147 Y C -0.461 175.530 175.900 0.151 0.000 1.108 147 Y CA 0.179 58.366 58.100 0.146 0.000 1.308 147 Y CB 0.470 38.985 38.460 0.091 0.000 1.216 147 Y HN 0.057 nan 8.280 nan 0.000 0.518 148 V N 6.048 125.886 119.914 -0.126 0.000 2.495 148 V HA 0.392 4.512 4.120 -0.000 0.000 0.298 148 V C -0.404 175.638 176.094 -0.087 0.000 1.031 148 V CA -0.671 61.620 62.300 -0.016 0.000 0.871 148 V CB 1.886 33.726 31.823 0.027 0.000 0.988 148 V HN 0.846 nan 8.190 nan 0.000 0.432 149 T N 6.365 120.926 114.554 0.011 0.000 2.812 149 T HA 0.659 5.009 4.350 -0.000 0.000 0.282 149 T C -0.535 174.044 174.700 -0.201 0.000 0.990 149 T CA -0.362 61.736 62.100 -0.003 0.000 0.960 149 T CB 1.038 70.022 68.868 0.194 0.000 0.948 149 T HN 0.365 nan 8.240 nan 0.000 0.438 150 L N 3.398 124.460 121.223 -0.268 0.000 2.307 150 L HA 0.697 5.036 4.340 -0.000 0.000 0.284 150 L C 0.056 176.704 176.870 -0.369 0.000 1.023 150 L CA -0.996 53.605 54.840 -0.399 0.000 0.810 150 L CB 1.291 43.045 42.059 -0.508 0.000 1.231 150 L HN 0.344 nan 8.230 nan 0.000 0.423 151 K N 3.024 123.210 120.400 -0.357 0.000 2.422 151 K HA 0.914 5.234 4.320 -0.000 0.000 0.251 151 K C -1.950 174.599 176.600 -0.086 0.000 0.933 151 K CA -0.330 55.855 56.287 -0.171 0.000 0.798 151 K CB 2.627 35.033 32.500 -0.156 0.000 1.238 151 K HN 0.757 nan 8.250 nan 0.000 0.428 152 A N 1.708 124.574 122.820 0.076 0.000 2.610 152 A HA 0.804 5.124 4.320 -0.000 0.000 0.291 152 A C -1.810 175.739 177.584 -0.058 0.000 1.086 152 A CA -0.439 51.572 52.037 -0.045 0.000 0.677 152 A CB 1.553 20.401 19.000 -0.253 0.000 1.278 152 A HN 0.833 nan 8.150 nan 0.000 0.414 153 A N -0.163 122.583 122.820 -0.123 0.000 2.386 153 A HA 1.032 5.351 4.320 -0.000 0.000 0.311 153 A C -0.149 177.337 177.584 -0.163 0.000 1.068 153 A CA 0.115 52.084 52.037 -0.113 0.000 0.743 153 A CB 1.270 20.213 19.000 -0.096 0.000 1.258 153 A HN 2.682 nan 8.150 nan 0.000 0.429 154 A N 0.601 123.333 122.820 -0.148 0.000 2.557 154 A HA 0.851 5.171 4.320 -0.000 0.000 0.292 154 A C 0.166 177.802 177.584 0.087 0.000 1.139 154 A CA 0.141 52.143 52.037 -0.060 0.000 0.665 154 A CB 0.178 19.110 19.000 -0.112 0.000 1.285 154 A HN 2.149 nan 8.150 nan 0.000 0.433 155 S N -0.657 115.108 115.700 0.108 0.000 2.634 155 S HA 0.349 4.819 4.470 -0.000 0.000 0.261 155 S C 1.044 175.780 174.600 0.227 0.000 1.271 155 S CA 0.253 58.535 58.200 0.137 0.000 0.985 155 S CB 0.336 63.584 63.200 0.081 0.000 0.968 155 S HN 1.668 nan 8.310 nan 0.000 0.568 156 L N 0.884 122.189 121.223 0.137 0.000 2.131 156 L HA -0.010 4.330 4.340 -0.000 0.000 0.210 156 L C 1.490 178.336 176.870 -0.041 0.000 1.092 156 L CA 2.022 56.879 54.840 0.028 0.000 0.759 156 L CB -1.132 40.919 42.059 -0.014 0.000 0.903 156 L HN 0.907 nan 8.230 nan 0.000 0.435 157 D N -1.589 118.820 120.400 0.015 0.000 2.370 157 D HA 0.103 4.743 4.640 -0.000 0.000 0.230 157 D C 1.312 177.633 176.300 0.035 0.000 1.143 157 D CA 0.513 54.514 54.000 0.001 0.000 0.834 157 D CB -0.535 40.266 40.800 0.001 0.000 0.944 157 D HN 0.366 nan 8.370 nan 0.000 0.504 158 G N 0.887 109.747 108.800 0.100 0.000 2.179 158 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.257 158 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.257 158 G C 0.109 175.029 174.900 0.034 0.000 1.010 158 G CA 0.052 45.222 45.100 0.117 0.000 0.736 158 G HN 0.311 nan 8.290 nan 0.000 0.513 159 K N -0.063 120.356 120.400 0.031 0.000 2.110 159 K HA 0.538 4.858 4.320 -0.000 0.000 0.263 159 K C 1.205 177.795 176.600 -0.017 0.000 0.975 159 K CA -1.011 55.278 56.287 0.003 0.000 0.895 159 K CB 1.208 33.715 32.500 0.012 0.000 1.060 159 K HN -0.012 nan 8.250 nan 0.000 0.448 160 I N 0.433 120.982 120.570 -0.035 0.000 3.783 160 I HA 0.136 4.306 4.170 -0.000 0.000 0.310 160 I C 0.583 176.675 176.117 -0.042 0.000 1.274 160 I CA 0.266 61.535 61.300 -0.052 0.000 1.294 160 I CB -0.686 37.277 38.000 -0.061 0.000 1.051 160 I HN 0.567 nan 8.210 nan 0.000 0.435 161 A N 0.160 122.965 122.820 -0.026 0.000 2.549 161 A HA 0.479 4.799 4.320 -0.000 0.000 0.291 161 A C 0.169 177.749 177.584 -0.007 0.000 1.034 161 A CA -0.195 51.826 52.037 -0.026 0.000 0.655 161 A CB 0.154 19.130 19.000 -0.040 0.000 1.299 161 A HN 0.139 nan 8.150 nan 0.000 0.427 162 T N -1.018 113.535 114.554 -0.002 0.000 2.698 162 T HA 0.419 4.769 4.350 -0.000 0.000 0.295 162 T C 1.555 176.264 174.700 0.016 0.000 1.007 162 T CA 0.679 62.787 62.100 0.013 0.000 0.980 162 T CB 0.552 69.432 68.868 0.020 0.000 1.036 162 T HN 2.050 nan 8.240 nan 0.000 0.526 163 S N -0.653 115.065 115.700 0.030 0.000 2.469 163 S HA -0.120 4.350 4.470 -0.000 0.000 0.238 163 S C 1.790 176.404 174.600 0.023 0.000 0.998 163 S CA 1.237 59.464 58.200 0.044 0.000 0.957 163 S CB -1.391 61.852 63.200 0.071 0.000 0.764 163 S HN 1.088 nan 8.310 nan 0.000 0.514 164 T N -3.250 111.310 114.554 0.010 0.000 3.122 164 T HA 0.522 4.872 4.350 -0.000 0.000 0.250 164 T C 1.442 176.132 174.700 -0.017 0.000 1.067 164 T CA 0.643 62.741 62.100 -0.003 0.000 0.966 164 T CB -0.194 68.673 68.868 -0.001 0.000 1.002 164 T HN 1.197 nan 8.240 nan 0.000 0.542 165 G N 1.234 110.022 108.800 -0.020 0.000 2.175 165 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.244 165 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.244 165 G C -0.235 174.632 174.900 -0.057 0.000 0.982 165 G CA -0.020 45.058 45.100 -0.037 0.000 0.641 165 G HN 0.789 nan 8.290 nan 0.000 0.527 166 D N 0.871 121.237 120.400 -0.056 0.000 2.348 166 D HA 0.548 5.188 4.640 -0.000 0.000 0.253 166 D C 1.106 177.343 176.300 -0.105 0.000 1.161 166 D CA 0.546 54.489 54.000 -0.095 0.000 0.876 166 D CB 0.798 41.550 40.800 -0.080 0.000 1.160 166 D HN 0.468 nan 8.370 nan 0.000 0.459 167 S N 2.206 117.811 115.700 -0.158 0.000 2.977 167 S HA 0.186 4.656 4.470 -0.000 0.000 0.250 167 S C 1.077 175.529 174.600 -0.247 0.000 1.005 167 S CA -0.694 57.416 58.200 -0.149 0.000 1.081 167 S CB 0.176 63.308 63.200 -0.114 0.000 1.018 167 S HN 0.385 nan 8.310 nan 0.000 0.539 168 K N 1.169 121.301 120.400 -0.446 0.000 1.987 168 K HA -0.035 4.285 4.320 -0.000 0.000 0.216 168 K C 0.191 176.335 176.600 -0.760 0.000 1.051 168 K CA 1.670 57.454 56.287 -0.838 0.000 0.942 168 K CB -0.026 31.458 32.500 -1.693 0.000 0.722 168 K HN 0.578 nan 8.250 nan 0.000 0.444 169 W N 0.822 122.116 121.300 -0.011 0.000 1.948 169 W HA 0.215 4.875 4.660 -0.000 0.000 0.335 169 W C 0.836 177.351 176.519 -0.007 0.000 0.753 169 W CA -1.027 56.313 57.345 -0.009 0.000 2.601 169 W CB -0.419 29.039 29.460 -0.004 0.000 2.143 169 W HN 0.130 nan 8.180 nan 0.000 0.636 170 I N 0.804 121.413 120.570 0.066 0.000 2.163 170 I HA -0.062 4.108 4.170 -0.000 0.000 0.240 170 I C 0.975 177.129 176.117 0.061 0.000 1.081 170 I CA 2.121 63.451 61.300 0.050 0.000 1.353 170 I CB -0.180 37.811 38.000 -0.015 0.000 1.054 170 I HN -0.189 nan 8.210 nan 0.000 0.407 171 T N -0.661 113.912 114.554 0.032 0.000 2.924 171 T HA 0.502 4.852 4.350 -0.000 0.000 0.291 171 T C -0.024 174.697 174.700 0.035 0.000 1.045 171 T CA -0.181 61.935 62.100 0.027 0.000 1.015 171 T CB 0.895 69.740 68.868 -0.039 0.000 1.103 171 T HN 0.442 nan 8.240 nan 0.000 0.496 172 S N 1.756 117.481 115.700 0.043 0.000 2.611 172 S HA 0.071 4.541 4.470 -0.000 0.000 0.252 172 S C 1.140 175.751 174.600 0.018 0.000 1.369 172 S CA 0.167 58.394 58.200 0.045 0.000 0.975 172 S CB 0.337 63.568 63.200 0.052 0.000 0.937 172 S HN 0.842 nan 8.310 nan 0.000 0.584 173 E N 0.429 120.646 120.200 0.028 0.000 2.250 173 E HA 0.157 4.507 4.350 -0.000 0.000 0.192 173 E C 1.848 178.453 176.600 0.008 0.000 0.986 173 E CA 1.082 57.491 56.400 0.016 0.000 0.849 173 E CB -0.727 28.990 29.700 0.028 0.000 0.797 173 E HN 0.717 nan 8.360 nan 0.000 0.482 174 A N 0.960 123.793 122.820 0.021 0.000 1.872 174 A HA 0.107 4.427 4.320 -0.000 0.000 0.214 174 A C 2.447 180.049 177.584 0.030 0.000 1.187 174 A CA 1.662 53.718 52.037 0.031 0.000 0.614 174 A CB -0.992 18.037 19.000 0.048 0.000 0.826 174 A HN 0.373 nan 8.150 nan 0.000 0.442 175 A N -0.340 122.489 122.820 0.015 0.000 1.933 175 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 175 A C 2.241 179.680 177.584 -0.242 0.000 1.175 175 A CA 1.411 53.414 52.037 -0.057 0.000 0.628 175 A CB -0.457 18.496 19.000 -0.078 0.000 0.814 175 A HN 0.513 nan 8.150 nan 0.000 0.444 176 R N -0.857 119.547 120.500 -0.160 0.000 2.096 176 R HA -0.156 4.184 4.340 -0.000 0.000 0.235 176 R C 2.532 178.795 176.300 -0.063 0.000 1.127 176 R CA 1.489 57.506 56.100 -0.137 0.000 0.968 176 R CB -0.301 29.954 30.300 -0.074 0.000 0.861 176 R HN 0.766 nan 8.270 nan 0.000 0.440 177 Q N 0.983 120.767 119.800 -0.026 0.000 2.050 177 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 177 Q C 1.374 177.389 176.000 0.025 0.000 0.980 177 Q CA 2.106 57.911 55.803 0.003 0.000 0.840 177 Q CB -0.107 28.638 28.738 0.011 0.000 0.898 177 Q HN 0.229 nan 8.270 nan 0.000 0.424 178 D N -0.579 119.856 120.400 0.058 0.000 2.263 178 D HA -0.098 4.542 4.640 -0.000 0.000 0.208 178 D C 1.551 177.983 176.300 0.221 0.000 0.971 178 D CA 1.147 55.227 54.000 0.133 0.000 0.867 178 D CB 0.037 40.984 40.800 0.246 0.000 0.929 178 D HN 0.380 nan 8.370 nan 0.000 0.492 179 A N -0.261 122.658 122.820 0.165 0.000 1.970 179 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 179 A C 2.083 179.823 177.584 0.261 0.000 1.170 179 A CA 0.614 52.829 52.037 0.297 0.000 0.645 179 A CB -0.286 18.723 19.000 0.014 0.000 0.816 179 A HN 0.183 nan 8.150 nan 0.000 0.447 180 Q N 0.017 119.882 119.800 0.109 0.000 2.291 180 Q HA -0.232 4.108 4.340 -0.000 0.000 0.205 180 Q C 2.233 178.228 176.000 -0.008 0.000 0.970 180 Q CA 1.522 57.361 55.803 0.061 0.000 0.876 180 Q CB -0.353 28.399 28.738 0.025 0.000 0.935 180 Q HN 1.000 nan 8.270 nan 0.000 0.455 181 Q N -0.124 119.637 119.800 -0.064 0.000 2.061 181 Q HA -0.218 4.122 4.340 -0.000 0.000 0.204 181 Q C 1.435 177.272 176.000 -0.273 0.000 0.984 181 Q CA 1.622 57.306 55.803 -0.198 0.000 0.846 181 Q CB -0.648 27.903 28.738 -0.311 0.000 0.902 181 Q HN 0.399 nan 8.270 nan 0.000 0.421 182 Y N 0.927 121.114 120.300 -0.189 0.000 2.365 182 Y HA -0.113 4.437 4.550 -0.000 0.000 0.287 182 Y C 2.239 177.860 175.900 -0.464 0.000 1.162 182 Y CA 1.255 59.112 58.100 -0.404 0.000 1.260 182 Y CB -0.087 37.847 38.460 -0.876 0.000 0.976 182 Y HN 0.128 nan 8.280 nan 0.000 0.548 183 R N 0.231 120.607 120.500 -0.207 0.000 2.339 183 R HA -0.101 4.239 4.340 -0.000 0.000 0.199 183 R C 1.966 178.250 176.300 -0.026 0.000 1.018 183 R CA 0.785 56.845 56.100 -0.067 0.000 1.036 183 R CB -0.036 30.282 30.300 0.030 0.000 0.899 183 R HN 0.318 nan 8.270 nan 0.000 0.473 184 K N 0.308 120.671 120.400 -0.061 0.000 2.348 184 K HA -0.006 4.314 4.320 -0.000 0.000 0.194 184 K C 1.159 177.712 176.600 -0.079 0.000 1.052 184 K CA 1.015 57.264 56.287 -0.063 0.000 1.004 184 K CB 0.610 33.060 32.500 -0.083 0.000 0.873 184 K HN 0.068 nan 8.250 nan 0.000 0.523 185 T N -1.184 113.309 114.554 -0.101 0.000 3.122 185 T HA 0.182 4.532 4.350 -0.000 0.000 0.250 185 T C 0.152 174.649 174.700 -0.338 0.000 1.067 185 T CA -0.440 61.538 62.100 -0.204 0.000 0.966 185 T CB -0.197 68.516 68.868 -0.258 0.000 1.002 185 T HN 0.050 nan 8.240 nan 0.000 0.542 186 H N 0.654 119.690 119.070 -0.058 0.000 2.690 186 H HA 0.357 4.913 4.556 -0.000 0.000 0.368 186 H C 0.194 175.507 175.328 -0.026 0.000 1.150 186 H CA -0.624 55.416 56.048 -0.013 0.000 1.174 186 H CB 2.184 31.970 29.762 0.040 0.000 1.684 186 H HN 0.158 nan 8.280 nan 0.000 0.538 187 Q N 0.810 120.657 119.800 0.078 0.000 2.424 187 Q HA 0.069 4.409 4.340 -0.000 0.000 0.204 187 Q C 0.045 176.020 176.000 -0.042 0.000 0.933 187 Q CA 0.336 56.134 55.803 -0.007 0.000 0.929 187 Q CB 0.594 29.304 28.738 -0.047 0.000 1.037 187 Q HN 0.520 nan 8.270 nan 0.000 0.511 188 S N -0.550 115.158 115.700 0.013 0.000 2.588 188 S HA 0.654 5.123 4.470 -0.000 0.000 0.275 188 S C -0.813 173.798 174.600 0.018 0.000 1.130 188 S CA -0.944 57.224 58.200 -0.053 0.000 0.855 188 S CB 1.565 64.695 63.200 -0.115 0.000 1.116 188 S HN 0.128 nan 8.310 nan 0.000 0.472 189 I N 2.295 122.854 120.570 -0.019 0.000 2.439 189 I HA 0.343 4.513 4.170 -0.000 0.000 0.285 189 I C -0.990 175.094 176.117 -0.055 0.000 1.021 189 I CA -0.798 60.505 61.300 0.005 0.000 1.091 189 I CB 1.693 39.720 38.000 0.045 0.000 1.242 189 I HN 0.475 nan 8.210 nan 0.000 0.439 190 L N 7.758 128.926 121.223 -0.092 0.000 2.334 190 L HA 0.691 5.031 4.340 -0.000 0.000 0.277 190 L C -0.695 176.106 176.870 -0.115 0.000 1.075 190 L CA -0.249 54.536 54.840 -0.090 0.000 0.804 190 L CB 1.693 43.703 42.059 -0.082 0.000 1.174 190 L HN 0.410 nan 8.230 nan 0.000 0.438 191 V N 3.116 122.981 119.914 -0.082 0.000 3.023 191 V HA 0.571 4.691 4.120 -0.000 0.000 0.294 191 V C 0.208 176.261 176.094 -0.068 0.000 1.324 191 V CA -0.508 61.732 62.300 -0.100 0.000 0.979 191 V CB 2.282 34.051 31.823 -0.090 0.000 1.093 191 V HN 0.944 nan 8.190 nan 0.000 0.434 192 G N 1.475 110.224 108.800 -0.086 0.000 2.537 192 G HA2 0.450 4.410 3.960 -0.000 0.000 0.273 192 G HA3 0.450 4.410 3.960 -0.000 0.000 0.273 192 G C 1.271 176.145 174.900 -0.044 0.000 1.189 192 G CA 0.217 45.282 45.100 -0.058 0.000 0.881 192 G HN 1.502 nan 8.290 nan 0.000 0.535 193 V N 0.110 120.010 119.914 -0.024 0.000 2.568 193 V HA -0.055 4.065 4.120 -0.000 0.000 0.253 193 V C 2.502 178.578 176.094 -0.031 0.000 1.072 193 V CA 2.266 64.556 62.300 -0.018 0.000 1.084 193 V CB -1.190 30.630 31.823 -0.005 0.000 0.676 193 V HN 0.771 nan 8.190 nan 0.000 0.469 194 G N 0.371 109.147 108.800 -0.040 0.000 2.469 194 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.220 194 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.220 194 G C 1.532 176.400 174.900 -0.053 0.000 1.136 194 G CA 1.715 46.787 45.100 -0.046 0.000 0.759 194 G HN 0.541 nan 8.290 nan 0.000 0.562 195 T N 0.668 115.185 114.554 -0.062 0.000 2.770 195 T HA -0.054 4.296 4.350 -0.000 0.000 0.263 195 T C 2.573 177.242 174.700 -0.052 0.000 1.039 195 T CA 1.006 63.067 62.100 -0.066 0.000 1.142 195 T CB -0.295 68.525 68.868 -0.082 0.000 0.868 195 T HN 0.063 nan 8.240 nan 0.000 0.435 196 V N 3.117 123.005 119.914 -0.043 0.000 2.278 196 V HA -0.310 3.810 4.120 -0.000 0.000 0.251 196 V C 2.532 178.605 176.094 -0.035 0.000 1.062 196 V CA 2.264 64.543 62.300 -0.035 0.000 1.038 196 V CB -0.748 31.060 31.823 -0.026 0.000 0.646 196 V HN 0.672 nan 8.190 nan 0.000 0.447 197 K N 0.941 121.321 120.400 -0.033 0.000 2.155 197 K HA 0.050 4.370 4.320 -0.000 0.000 0.203 197 K C 2.161 178.739 176.600 -0.037 0.000 1.052 197 K CA 1.313 57.581 56.287 -0.032 0.000 0.948 197 K CB -0.463 32.020 32.500 -0.028 0.000 0.728 197 K HN 0.353 nan 8.250 nan 0.000 0.448 198 A N 2.831 125.625 122.820 -0.044 0.000 1.834 198 A HA -0.205 4.115 4.320 -0.000 0.000 0.216 198 A C 1.161 178.714 177.584 -0.052 0.000 1.203 198 A CA 2.101 54.108 52.037 -0.050 0.000 0.621 198 A CB -0.608 18.356 19.000 -0.059 0.000 0.841 198 A HN 0.593 nan 8.150 nan 0.000 0.446 199 D N -2.586 117.782 120.400 -0.054 0.000 2.433 199 D HA 0.169 4.809 4.640 -0.000 0.000 0.211 199 D C 0.193 176.467 176.300 -0.043 0.000 1.114 199 D CA 0.214 54.182 54.000 -0.053 0.000 0.837 199 D CB -0.196 40.567 40.800 -0.061 0.000 0.984 199 D HN 0.416 nan 8.370 nan 0.000 0.505 200 N N 1.608 120.285 118.700 -0.039 0.000 2.586 200 N HA -0.117 4.623 4.740 -0.000 0.000 0.282 200 N C -2.559 172.933 175.510 -0.029 0.000 1.171 200 N CA 0.258 53.289 53.050 -0.032 0.000 0.733 200 N CB -0.151 38.319 38.487 -0.028 0.000 0.910 200 N HN 0.170 nan 8.380 nan 0.000 0.548 201 P HA 0.275 nan 4.420 nan 0.000 0.285 201 P C -0.130 177.159 177.300 -0.018 0.000 1.269 201 P CA -0.576 62.509 63.100 -0.025 0.000 0.844 201 P CB 1.550 33.231 31.700 -0.030 0.000 1.094 202 S N 0.630 116.324 115.700 -0.011 0.000 2.439 202 S HA 0.033 4.503 4.470 -0.000 0.000 0.224 202 S C 0.688 175.287 174.600 -0.003 0.000 1.029 202 S CA 0.060 58.257 58.200 -0.005 0.000 0.946 202 S CB -0.627 62.573 63.200 -0.001 0.000 0.797 202 S HN 0.412 nan 8.310 nan 0.000 0.504 203 L N 2.116 123.340 121.223 0.000 0.000 3.717 203 L HA -0.135 4.205 4.340 -0.000 0.000 0.414 203 L C 0.340 177.219 176.870 0.016 0.000 1.228 203 L CA 0.936 55.782 54.840 0.010 0.000 0.918 203 L CB -3.254 38.804 42.059 -0.001 0.000 1.865 203 L HN 0.564 nan 8.230 nan 0.000 0.922 204 T N -3.926 110.636 114.554 0.014 0.000 2.918 204 T HA 0.549 4.899 4.350 -0.000 0.000 0.286 204 T C 0.287 174.996 174.700 0.015 0.000 1.026 204 T CA -0.653 61.453 62.100 0.011 0.000 1.031 204 T CB 2.645 71.517 68.868 0.006 0.000 1.046 204 T HN 0.283 nan 8.240 nan 0.000 0.479 205 C N 2.809 122.115 119.300 0.009 0.000 2.394 205 C HA 0.492 4.952 4.460 -0.000 0.000 0.362 205 C C 1.565 176.554 174.990 -0.002 0.000 1.268 205 C CA -0.544 58.476 59.018 0.003 0.000 1.828 205 C CB -0.854 26.882 27.740 -0.006 0.000 2.442 205 C HN 1.072 nan 8.230 nan 0.000 0.549 206 R N 3.101 123.599 120.500 -0.002 0.000 2.308 206 R HA 0.221 4.561 4.340 -0.000 0.000 0.202 206 R C 0.511 176.805 176.300 -0.010 0.000 0.898 206 R CA -0.288 55.810 56.100 -0.004 0.000 1.046 206 R CB 0.088 30.387 30.300 -0.001 0.000 1.026 206 R HN 0.689 nan 8.270 nan 0.000 0.512 207 L N 3.310 124.523 121.223 -0.016 0.000 2.593 207 L HA -0.006 4.334 4.340 -0.000 0.000 0.287 207 L C -1.970 174.888 176.870 -0.021 0.000 1.243 207 L CA -1.203 53.624 54.840 -0.023 0.000 0.890 207 L CB 0.396 42.433 42.059 -0.037 0.000 1.134 207 L HN -0.187 nan 8.230 nan 0.000 0.502 208 P HA -0.061 nan 4.420 nan 0.000 0.255 208 P C -1.124 176.164 177.300 -0.020 0.000 1.173 208 P CA 0.565 63.655 63.100 -0.017 0.000 0.780 208 P CB 0.157 31.847 31.700 -0.016 0.000 0.758 209 N N 1.314 120.003 118.700 -0.017 0.000 2.923 209 N HA -0.046 4.694 4.740 -0.000 0.000 0.266 209 N C -1.026 174.471 175.510 -0.021 0.000 1.595 209 N CA 0.499 53.538 53.050 -0.019 0.000 1.455 209 N CB -0.913 37.562 38.487 -0.021 0.000 0.816 209 N HN 0.254 nan 8.380 nan 0.000 0.485 210 V N -0.884 119.019 119.914 -0.017 0.000 2.653 210 V HA 0.727 4.847 4.120 -0.000 0.000 0.298 210 V C 0.046 176.132 176.094 -0.014 0.000 1.097 210 V CA -0.477 61.812 62.300 -0.018 0.000 0.908 210 V CB 1.903 33.715 31.823 -0.017 0.000 1.024 210 V HN 0.580 nan 8.190 nan 0.000 0.435 211 T N 3.643 118.188 114.554 -0.016 0.000 2.859 211 T HA 0.566 4.915 4.350 -0.000 0.000 0.281 211 T C -0.185 174.506 174.700 -0.016 0.000 1.005 211 T CA -0.050 62.042 62.100 -0.013 0.000 1.025 211 T CB 0.982 69.844 68.868 -0.011 0.000 0.977 211 T HN 1.479 nan 8.240 nan 0.000 0.458 212 K N 3.620 124.012 120.400 -0.013 0.000 5.934 212 K HA -0.149 4.170 4.320 -0.000 0.000 0.500 212 K C -0.272 176.315 176.600 -0.021 0.000 1.231 212 K CA 0.086 56.363 56.287 -0.017 0.000 1.388 212 K CB -0.221 32.262 32.500 -0.028 0.000 1.841 212 K HN 0.640 nan 8.250 nan 0.000 0.357 213 Q N 3.008 122.799 119.800 -0.016 0.000 2.432 213 Q HA 0.148 4.488 4.340 -0.000 0.000 0.264 213 Q C -1.962 174.016 176.000 -0.036 0.000 1.035 213 Q CA -1.048 54.744 55.803 -0.020 0.000 0.908 213 Q CB 0.304 29.035 28.738 -0.011 0.000 1.280 213 Q HN 0.470 nan 8.270 nan 0.000 0.455 214 P HA 0.049 nan 4.420 nan 0.000 0.271 214 P C -0.451 176.781 177.300 -0.113 0.000 1.216 214 P CA -0.200 62.863 63.100 -0.062 0.000 0.776 214 P CB 0.598 32.285 31.700 -0.020 0.000 0.881 215 V N 4.856 124.644 119.914 -0.210 0.000 2.529 215 V HA 0.007 4.127 4.120 -0.000 0.000 0.292 215 V C 1.364 177.282 176.094 -0.292 0.000 1.028 215 V CA 0.253 62.325 62.300 -0.380 0.000 1.074 215 V CB -0.550 30.801 31.823 -0.787 0.000 0.958 215 V HN 0.466 nan 8.190 nan 0.000 0.481 216 R N 3.923 124.289 120.500 -0.222 0.000 2.196 216 R HA 0.483 4.823 4.340 -0.000 0.000 0.340 216 R C -1.007 175.246 176.300 -0.079 0.000 1.043 216 R CA -0.425 55.610 56.100 -0.109 0.000 0.883 216 R CB 1.191 31.466 30.300 -0.042 0.000 1.078 216 R HN 0.519 nan 8.270 nan 0.000 0.462 217 V N 5.964 125.844 119.914 -0.056 0.000 2.370 217 V HA 0.320 4.440 4.120 -0.000 0.000 0.283 217 V C -0.229 175.887 176.094 0.036 0.000 1.023 217 V CA -0.760 61.558 62.300 0.030 0.000 0.857 217 V CB 1.415 33.228 31.823 -0.017 0.000 0.985 217 V HN 0.529 nan 8.190 nan 0.000 0.443 218 I N 5.793 126.424 120.570 0.102 0.000 2.339 218 I HA 0.368 4.538 4.170 -0.000 0.000 0.290 218 I C -0.051 176.119 176.117 0.088 0.000 0.994 218 I CA -0.185 61.156 61.300 0.068 0.000 1.191 218 I CB 1.555 39.598 38.000 0.071 0.000 1.343 218 I HN 0.372 nan 8.210 nan 0.000 0.458 219 L N 5.968 127.207 121.223 0.027 0.000 2.283 219 L HA 0.324 4.664 4.340 -0.000 0.000 0.287 219 L C 0.109 177.005 176.870 0.043 0.000 1.073 219 L CA -0.028 54.826 54.840 0.024 0.000 0.822 219 L CB 0.430 42.470 42.059 -0.031 0.000 1.186 219 L HN 0.622 nan 8.230 nan 0.000 0.436 220 D N 0.814 121.266 120.400 0.087 0.000 2.624 220 D HA 0.565 5.205 4.640 -0.000 0.000 0.257 220 D C 0.521 176.856 176.300 0.059 0.000 1.167 220 D CA 0.171 54.211 54.000 0.066 0.000 1.086 220 D CB 2.138 42.986 40.800 0.080 0.000 1.210 220 D HN 0.575 nan 8.370 nan 0.000 0.631 221 T N -2.648 111.934 114.554 0.047 0.000 3.759 221 T HA -0.001 4.349 4.350 -0.000 0.000 0.245 221 T C 0.846 175.565 174.700 0.031 0.000 0.867 221 T CA -0.017 62.106 62.100 0.038 0.000 1.116 221 T CB -0.082 68.798 68.868 0.020 0.000 1.028 221 T HN 0.151 nan 8.240 nan 0.000 0.381 222 V N 2.836 122.763 119.914 0.022 0.000 3.252 222 V HA 0.508 4.628 4.120 -0.000 0.000 0.350 222 V C 0.715 176.820 176.094 0.019 0.000 1.329 222 V CA -0.311 61.999 62.300 0.017 0.000 1.258 222 V CB -1.334 30.494 31.823 0.010 0.000 1.208 222 V HN 0.596 nan 8.190 nan 0.000 0.462 223 L N 1.074 122.314 121.223 0.028 0.000 3.854 223 L HA -0.244 4.096 4.340 -0.000 0.000 0.460 223 L C 1.500 178.380 176.870 0.017 0.000 1.228 223 L CA 0.834 55.691 54.840 0.028 0.000 0.760 223 L CB -0.901 41.175 42.059 0.027 0.000 1.597 223 L HN 0.592 nan 8.230 nan 0.000 0.852 224 S N 0.617 116.325 115.700 0.013 0.000 2.522 224 S HA 0.024 4.493 4.470 -0.000 0.000 0.227 224 S C 1.129 175.729 174.600 -0.000 0.000 0.986 224 S CA -0.247 57.956 58.200 0.005 0.000 0.929 224 S CB 0.042 63.242 63.200 0.001 0.000 0.769 224 S HN 0.440 nan 8.310 nan 0.000 0.529 225 I N 3.772 124.343 120.570 0.002 0.000 2.872 225 I HA 0.133 4.303 4.170 -0.000 0.000 0.287 225 I C -2.548 173.559 176.117 -0.016 0.000 1.197 225 I CA -1.685 59.611 61.300 -0.007 0.000 1.390 225 I CB 0.402 38.402 38.000 -0.000 0.000 1.400 225 I HN 0.087 nan 8.210 nan 0.000 0.544 226 P HA 0.091 nan 4.420 nan 0.000 0.266 226 P C 0.135 177.411 177.300 -0.039 0.000 1.215 226 P CA 0.020 63.107 63.100 -0.022 0.000 0.763 226 P CB 0.427 32.115 31.700 -0.020 0.000 0.806 227 E N 1.305 121.482 120.200 -0.039 0.000 2.463 227 E HA -0.203 4.147 4.350 -0.000 0.000 0.201 227 E C 1.403 177.967 176.600 -0.059 0.000 1.045 227 E CA 0.544 56.900 56.400 -0.074 0.000 0.872 227 E CB -0.417 29.264 29.700 -0.032 0.000 0.797 227 E HN 0.461 nan 8.360 nan 0.000 0.538 228 D N 0.416 120.799 120.400 -0.029 0.000 2.355 228 D HA -0.228 4.412 4.640 -0.000 0.000 0.192 228 D C 0.645 176.933 176.300 -0.020 0.000 1.014 228 D CA 2.002 55.993 54.000 -0.015 0.000 0.862 228 D CB 0.081 40.873 40.800 -0.014 0.000 0.986 228 D HN 0.241 nan 8.370 nan 0.000 0.456 229 A N -2.849 119.949 122.820 -0.036 0.000 2.483 229 A HA 0.510 4.830 4.320 -0.000 0.000 0.306 229 A C 0.059 177.617 177.584 -0.043 0.000 1.137 229 A CA 0.220 52.237 52.037 -0.034 0.000 0.626 229 A CB 1.010 20.003 19.000 -0.012 0.000 1.352 229 A HN 0.009 nan 8.150 nan 0.000 0.508 230 K N -1.961 118.422 120.400 -0.028 0.000 1.751 230 K HA -0.272 4.048 4.320 -0.000 0.000 0.134 230 K C 1.629 178.209 176.600 -0.033 0.000 1.167 230 K CA 2.991 59.264 56.287 -0.023 0.000 0.330 230 K CB -2.570 29.917 32.500 -0.021 0.000 0.663 230 K HN 1.841 nan 8.250 nan 0.000 0.817 231 V N 0.181 120.077 119.914 -0.030 0.000 2.708 231 V HA -0.259 3.861 4.120 -0.000 0.000 0.264 231 V C 2.152 178.215 176.094 -0.051 0.000 1.124 231 V CA 2.375 64.660 62.300 -0.025 0.000 1.138 231 V CB -0.526 31.288 31.823 -0.014 0.000 0.706 231 V HN 0.404 nan 8.190 nan 0.000 0.493 232 I N 1.089 121.594 120.570 -0.108 0.000 3.700 232 I HA 0.072 4.242 4.170 -0.000 0.000 0.232 232 I C 2.060 178.003 176.117 -0.290 0.000 1.033 232 I CA 1.455 62.608 61.300 -0.246 0.000 1.525 232 I CB -1.030 36.773 38.000 -0.329 0.000 1.411 232 I HN 0.623 nan 8.210 nan 0.000 0.458 233 C N 0.815 119.965 119.300 -0.250 0.000 2.269 233 C HA 0.302 4.762 4.460 -0.000 0.000 0.378 233 C C 0.668 175.691 174.990 0.054 0.000 1.319 233 C CA -0.657 58.347 59.018 -0.024 0.000 1.721 233 C CB -2.025 25.779 27.740 0.107 0.000 1.998 233 C HN 0.516 nan 8.230 nan 0.000 0.582 234 D N 1.083 121.498 120.400 0.024 0.000 2.749 234 D HA 0.007 4.647 4.640 -0.000 0.000 0.338 234 D C -0.176 176.152 176.300 0.046 0.000 1.236 234 D CA -0.023 53.997 54.000 0.034 0.000 0.845 234 D CB 0.223 41.030 40.800 0.010 0.000 1.080 234 D HN 0.419 nan 8.370 nan 0.000 0.497 235 Q N 2.080 121.927 119.800 0.078 0.000 2.430 235 Q HA -0.002 4.338 4.340 -0.000 0.000 0.263 235 Q C 0.748 176.782 176.000 0.058 0.000 1.319 235 Q CA 0.441 56.294 55.803 0.084 0.000 0.926 235 Q CB 0.682 29.484 28.738 0.105 0.000 1.522 235 Q HN 0.591 nan 8.270 nan 0.000 0.506 236 I N -0.719 119.878 120.570 0.046 0.000 4.730 236 I HA 0.314 4.484 4.170 -0.000 0.000 0.332 236 I C 0.441 176.576 176.117 0.029 0.000 1.299 236 I CA 0.120 61.440 61.300 0.032 0.000 1.294 236 I CB 0.214 38.227 38.000 0.023 0.000 1.317 236 I HN 0.319 nan 8.210 nan 0.000 0.457 237 A N 0.684 123.526 122.820 0.037 0.000 2.441 237 A HA 0.587 4.907 4.320 -0.000 0.000 0.295 237 A C -2.904 174.710 177.584 0.049 0.000 0.992 237 A CA -0.623 51.434 52.037 0.032 0.000 0.603 237 A CB -0.313 18.690 19.000 0.006 0.000 1.385 237 A HN -0.124 nan 8.150 nan 0.000 0.470 238 P HA 0.382 nan 4.420 nan 0.000 0.267 238 P C -0.431 176.901 177.300 0.054 0.000 1.200 238 P CA 0.563 63.721 63.100 0.097 0.000 0.772 238 P CB 0.505 32.233 31.700 0.046 0.000 0.855 239 T N 2.103 116.772 114.554 0.193 0.000 3.201 239 T HA 0.186 4.536 4.350 -0.000 0.000 0.338 239 T C -0.992 173.931 174.700 0.371 0.000 1.095 239 T CA -0.453 61.749 62.100 0.170 0.000 1.426 239 T CB -0.224 68.704 68.868 0.101 0.000 0.956 239 T HN 0.222 nan 8.240 nan 0.000 0.551 240 W N 2.489 123.850 121.300 0.101 0.000 2.202 240 W HA 0.634 5.294 4.660 -0.000 0.000 0.332 240 W C 0.152 176.765 176.519 0.157 0.000 1.263 240 W CA -1.535 55.895 57.345 0.142 0.000 1.223 240 W CB -0.003 29.516 29.460 0.099 0.000 1.128 240 W HN 0.372 nan 8.180 nan 0.000 0.573 241 I N 3.038 123.848 120.570 0.399 0.000 2.478 241 I HA 0.204 4.374 4.170 -0.000 0.000 0.287 241 I C -1.153 175.157 176.117 0.322 0.000 1.042 241 I CA -0.942 60.552 61.300 0.323 0.000 1.067 241 I CB 1.257 39.376 38.000 0.199 0.000 1.233 241 I HN -0.028 nan 8.210 nan 0.000 0.431 242 F N 4.494 124.505 119.950 0.100 0.000 2.391 242 F HA 0.484 5.011 4.527 -0.000 0.000 0.359 242 F C 0.733 176.580 175.800 0.080 0.000 1.122 242 F CA -0.175 57.883 58.000 0.097 0.000 1.120 242 F CB 1.457 40.480 39.000 0.038 0.000 1.142 242 F HN 0.350 nan 8.300 nan 0.000 0.483 243 T N 0.411 115.080 114.554 0.193 0.000 2.724 243 T HA 0.797 5.147 4.350 -0.000 0.000 0.274 243 T C 0.089 174.846 174.700 0.095 0.000 0.984 243 T CA -0.739 61.435 62.100 0.123 0.000 1.024 243 T CB 1.919 70.835 68.868 0.081 0.000 1.320 243 T HN 0.527 nan 8.240 nan 0.000 0.555 244 T N -2.525 112.067 114.554 0.062 0.000 2.591 244 T HA 0.742 5.091 4.350 -0.000 0.000 0.274 244 T C 1.588 176.305 174.700 0.028 0.000 0.945 244 T CA -0.162 61.965 62.100 0.046 0.000 1.087 244 T CB 0.481 69.375 68.868 0.043 0.000 1.416 244 T HN 0.589 nan 8.240 nan 0.000 0.514 245 A N 0.899 123.731 122.820 0.021 0.000 1.859 245 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 245 A C 2.081 179.672 177.584 0.012 0.000 1.242 245 A CA 2.237 54.282 52.037 0.013 0.000 0.661 245 A CB -1.304 17.702 19.000 0.010 0.000 0.842 245 A HN 0.821 nan 8.150 nan 0.000 0.455 246 R N 0.501 121.009 120.500 0.012 0.000 2.446 246 R HA 0.026 4.366 4.340 -0.000 0.000 0.209 246 R C 0.264 176.571 176.300 0.012 0.000 1.175 246 R CA 0.295 56.401 56.100 0.010 0.000 1.154 246 R CB -0.912 29.393 30.300 0.009 0.000 0.824 246 R HN 0.496 nan 8.270 nan 0.000 0.485 247 A N 1.262 124.091 122.820 0.015 0.000 2.347 247 A HA 0.035 4.355 4.320 -0.000 0.000 0.287 247 A C -0.342 177.249 177.584 0.012 0.000 1.199 247 A CA -0.518 51.529 52.037 0.017 0.000 0.851 247 A CB 0.264 19.276 19.000 0.020 0.000 1.118 247 A HN 0.326 nan 8.150 nan 0.000 0.525 248 D N 2.534 122.941 120.400 0.012 0.000 2.583 248 D HA -0.075 4.565 4.640 -0.000 0.000 0.232 248 D C 0.761 177.067 176.300 0.010 0.000 1.128 248 D CA 0.310 54.316 54.000 0.011 0.000 0.859 248 D CB 0.731 41.538 40.800 0.012 0.000 1.169 248 D HN 0.594 nan 8.370 nan 0.000 0.481 249 E N 3.644 123.848 120.200 0.007 0.000 2.072 249 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 249 E C 1.624 178.229 176.600 0.008 0.000 0.985 249 E CA 0.793 57.195 56.400 0.004 0.000 0.801 249 E CB 0.098 29.798 29.700 0.001 0.000 0.750 249 E HN 0.586 nan 8.360 nan 0.000 0.452 250 E N 1.134 121.340 120.200 0.011 0.000 2.023 250 E HA -0.165 4.185 4.350 -0.000 0.000 0.196 250 E C 2.030 178.644 176.600 0.024 0.000 1.003 250 E CA 0.855 57.264 56.400 0.015 0.000 0.809 250 E CB -0.203 29.506 29.700 0.015 0.000 0.755 250 E HN 0.118 nan 8.360 nan 0.000 0.449 251 K N 1.241 121.657 120.400 0.026 0.000 2.148 251 K HA -0.132 4.188 4.320 -0.000 0.000 0.204 251 K C 2.104 178.727 176.600 0.038 0.000 1.050 251 K CA 0.730 57.038 56.287 0.036 0.000 0.942 251 K CB -0.074 32.444 32.500 0.029 0.000 0.724 251 K HN -0.035 nan 8.250 nan 0.000 0.446 252 K N 1.109 121.524 120.400 0.026 0.000 2.089 252 K HA -0.220 4.100 4.320 -0.000 0.000 0.210 252 K C 1.654 178.271 176.600 0.029 0.000 1.048 252 K CA 1.967 58.267 56.287 0.022 0.000 0.926 252 K CB 0.095 32.600 32.500 0.007 0.000 0.714 252 K HN 0.055 nan 8.250 nan 0.000 0.448 253 K N -0.464 119.955 120.400 0.031 0.000 2.202 253 K HA 0.013 4.332 4.320 -0.000 0.000 0.201 253 K C 2.078 178.722 176.600 0.074 0.000 1.051 253 K CA 0.383 56.693 56.287 0.038 0.000 0.977 253 K CB -0.042 32.469 32.500 0.019 0.000 0.792 253 K HN 0.067 nan 8.250 nan 0.000 0.469 254 R N 1.171 121.718 120.500 0.078 0.000 2.185 254 R HA -0.145 4.194 4.340 -0.000 0.000 0.247 254 R C 1.664 178.103 176.300 0.232 0.000 1.159 254 R CA 1.263 57.434 56.100 0.119 0.000 0.988 254 R CB -0.083 30.275 30.300 0.097 0.000 0.871 254 R HN 0.190 nan 8.270 nan 0.000 0.458 255 L N -1.301 120.032 121.223 0.184 0.000 2.189 255 L HA 0.003 4.343 4.340 -0.000 0.000 0.199 255 L C 2.386 179.418 176.870 0.269 0.000 1.074 255 L CA 0.702 55.659 54.840 0.195 0.000 0.783 255 L CB -0.444 41.634 42.059 0.033 0.000 0.955 255 L HN 0.144 nan 8.230 nan 0.000 0.460 256 S N 0.337 116.127 115.700 0.150 0.000 2.484 256 S HA -0.218 4.252 4.470 -0.000 0.000 0.250 256 S C 1.866 176.559 174.600 0.155 0.000 0.995 256 S CA 1.129 59.401 58.200 0.119 0.000 0.967 256 S CB -0.142 63.086 63.200 0.047 0.000 0.752 256 S HN 0.427 nan 8.310 nan 0.000 0.517 257 A N -0.523 122.420 122.820 0.206 0.000 2.172 257 A HA 0.176 4.496 4.320 -0.000 0.000 0.216 257 A C 1.470 179.087 177.584 0.055 0.000 1.154 257 A CA 0.788 52.885 52.037 0.100 0.000 0.701 257 A CB -0.503 18.510 19.000 0.022 0.000 0.789 257 A HN 0.600 nan 8.150 nan 0.000 0.465 258 F N -1.227 118.737 119.950 0.023 0.000 2.202 258 F HA 0.391 4.918 4.527 -0.000 0.000 0.279 258 F C 2.108 177.929 175.800 0.036 0.000 1.077 258 F CA 1.118 59.136 58.000 0.029 0.000 1.193 258 F CB -0.346 38.676 39.000 0.037 0.000 1.090 258 F HN 0.239 nan 8.300 nan 0.000 0.516 259 G N -0.820 108.151 108.800 0.284 0.000 4.719 259 G HA2 0.157 4.117 3.960 -0.000 0.000 0.220 259 G HA3 0.157 4.117 3.960 -0.000 0.000 0.220 259 G C -1.000 174.005 174.900 0.175 0.000 0.663 259 G CA -0.377 44.830 45.100 0.179 0.000 0.969 259 G HN 0.054 nan 8.290 nan 0.000 0.716 260 V N 1.929 121.949 119.914 0.176 0.000 2.488 260 V HA 0.318 4.438 4.120 -0.000 0.000 0.277 260 V C 0.403 176.572 176.094 0.124 0.000 1.046 260 V CA -0.652 61.735 62.300 0.146 0.000 0.986 260 V CB 0.810 32.675 31.823 0.070 0.000 0.989 260 V HN 0.287 nan 8.190 nan 0.000 0.475 261 N N 4.116 122.909 118.700 0.154 0.000 2.381 261 N HA 0.639 5.379 4.740 -0.000 0.000 0.254 261 N C -0.323 175.250 175.510 0.104 0.000 1.264 261 N CA -0.363 52.722 53.050 0.059 0.000 0.942 261 N CB 0.760 39.229 38.487 -0.030 0.000 1.190 261 N HN 0.739 nan 8.380 nan 0.000 0.495 262 I N -2.074 118.505 120.570 0.016 0.000 2.642 262 I HA 0.358 4.528 4.170 -0.000 0.000 0.273 262 I C -1.322 174.761 176.117 -0.057 0.000 1.208 262 I CA -0.681 60.644 61.300 0.041 0.000 1.037 262 I CB 0.220 38.219 38.000 -0.002 0.000 1.253 262 I HN 0.075 nan 8.210 nan 0.000 0.504 263 F N 2.424 122.192 119.950 -0.303 0.000 2.429 263 F HA 0.553 5.080 4.527 -0.000 0.000 0.348 263 F C 0.972 176.623 175.800 -0.250 0.000 1.109 263 F CA -0.104 57.652 58.000 -0.407 0.000 1.232 263 F CB 1.491 39.962 39.000 -0.881 0.000 1.157 263 F HN 0.334 nan 8.300 nan 0.000 0.564 264 T N 4.673 119.204 114.554 -0.039 0.000 2.812 264 T HA 0.659 5.009 4.350 -0.000 0.000 0.282 264 T C -0.634 174.080 174.700 0.024 0.000 0.990 264 T CA -0.613 61.487 62.100 -0.000 0.000 0.960 264 T CB 1.142 69.995 68.868 -0.026 0.000 0.948 264 T HN 0.131 nan 8.240 nan 0.000 0.438 265 L N 3.084 124.344 121.223 0.062 0.000 2.331 265 L HA 0.440 4.780 4.340 -0.000 0.000 0.275 265 L C 1.144 178.041 176.870 0.045 0.000 1.022 265 L CA -0.653 54.230 54.840 0.072 0.000 0.812 265 L CB 0.909 43.038 42.059 0.118 0.000 1.257 265 L HN 0.604 nan 8.230 nan 0.000 0.435 266 E N 0.587 120.808 120.200 0.036 0.000 2.351 266 E HA 0.167 4.517 4.350 -0.000 0.000 0.236 266 E C -0.829 175.784 176.600 0.023 0.000 1.341 266 E CA -0.118 56.295 56.400 0.023 0.000 1.579 266 E CB -0.510 29.200 29.700 0.016 0.000 1.393 266 E HN 0.560 nan 8.360 nan 0.000 0.438 267 T N 0.825 115.396 114.554 0.027 0.000 2.889 267 T HA 0.125 4.475 4.350 -0.000 0.000 0.315 267 T C 0.566 175.279 174.700 0.021 0.000 1.291 267 T CA -0.746 61.367 62.100 0.021 0.000 1.028 267 T CB 1.813 70.693 68.868 0.021 0.000 1.235 267 T HN 0.166 nan 8.240 nan 0.000 0.491 268 E N 0.928 121.136 120.200 0.013 0.000 2.435 268 E HA -0.019 4.331 4.350 -0.000 0.000 0.195 268 E C -0.048 176.558 176.600 0.010 0.000 1.029 268 E CA 0.309 56.716 56.400 0.012 0.000 0.865 268 E CB 0.396 30.100 29.700 0.006 0.000 0.833 268 E HN 0.263 nan 8.360 nan 0.000 0.510 269 R N 2.211 122.716 120.500 0.008 0.000 2.288 269 R HA 0.277 4.617 4.340 -0.000 0.000 0.326 269 R C 0.309 176.611 176.300 0.004 0.000 0.959 269 R CA -0.862 55.237 56.100 -0.001 0.000 0.834 269 R CB 1.113 31.407 30.300 -0.011 0.000 1.157 269 R HN 0.149 nan 8.270 nan 0.000 0.470 270 I N 0.674 121.248 120.570 0.007 0.000 2.691 270 I HA 0.050 4.220 4.170 -0.000 0.000 0.288 270 I C 0.264 176.360 176.117 -0.035 0.000 1.143 270 I CA 0.325 61.634 61.300 0.015 0.000 1.364 270 I CB -0.396 37.617 38.000 0.022 0.000 1.435 270 I HN 0.502 nan 8.210 nan 0.000 0.551 271 Q N 5.669 125.452 119.800 -0.028 0.000 2.344 271 Q HA 0.166 4.506 4.340 -0.000 0.000 0.253 271 Q C 0.958 176.885 176.000 -0.122 0.000 1.050 271 Q CA -0.654 55.109 55.803 -0.068 0.000 0.912 271 Q CB 0.983 29.700 28.738 -0.036 0.000 1.258 271 Q HN 0.636 nan 8.270 nan 0.000 0.443 272 I N 5.999 126.430 120.570 -0.232 0.000 2.141 272 I HA -0.308 3.862 4.170 -0.000 0.000 0.243 272 I C -0.777 175.177 176.117 -0.273 0.000 1.035 272 I CA 1.732 62.790 61.300 -0.403 0.000 1.302 272 I CB -2.225 35.359 38.000 -0.694 0.000 1.006 272 I HN 0.628 nan 8.210 nan 0.000 0.413 273 P HA -0.127 nan 4.420 nan 0.000 0.217 273 P C 1.190 178.476 177.300 -0.024 0.000 1.148 273 P CA 1.492 64.547 63.100 -0.074 0.000 0.828 273 P CB 0.002 31.676 31.700 -0.044 0.000 0.783 274 D N -1.195 119.196 120.400 -0.015 0.000 2.117 274 D HA -0.094 4.546 4.640 -0.000 0.000 0.198 274 D C 2.035 178.395 176.300 0.100 0.000 0.982 274 D CA 0.919 54.951 54.000 0.053 0.000 0.828 274 D CB -0.864 39.979 40.800 0.071 0.000 0.967 274 D HN -0.043 nan 8.370 nan 0.000 0.464 275 V N 1.247 121.165 119.914 0.007 0.000 2.255 275 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 275 V C 2.689 178.767 176.094 -0.026 0.000 1.051 275 V CA 1.261 63.491 62.300 -0.116 0.000 1.018 275 V CB -0.613 30.892 31.823 -0.530 0.000 0.641 275 V HN 0.214 nan 8.190 nan 0.000 0.445 276 L N -0.203 121.012 121.223 -0.015 0.000 2.079 276 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 276 L C 2.634 179.594 176.870 0.150 0.000 1.081 276 L CA 1.803 56.699 54.840 0.093 0.000 0.752 276 L CB -0.602 41.525 42.059 0.114 0.000 0.896 276 L HN 0.315 nan 8.230 nan 0.000 0.433 277 K N 0.658 121.134 120.400 0.127 0.000 2.097 277 K HA -0.151 4.168 4.320 -0.000 0.000 0.206 277 K C 1.884 178.598 176.600 0.190 0.000 1.049 277 K CA 1.386 57.754 56.287 0.136 0.000 0.933 277 K CB -0.185 32.372 32.500 0.096 0.000 0.717 277 K HN 0.068 nan 8.250 nan 0.000 0.442 278 I N 0.904 121.618 120.570 0.240 0.000 2.142 278 I HA -0.261 3.909 4.170 -0.000 0.000 0.240 278 I C 2.177 178.489 176.117 0.325 0.000 1.078 278 I CA 1.280 62.760 61.300 0.300 0.000 1.343 278 I CB -0.958 37.295 38.000 0.422 0.000 1.046 278 I HN 0.183 nan 8.210 nan 0.000 0.405 279 L N 0.750 122.178 121.223 0.342 0.000 2.012 279 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 279 L C 2.765 179.831 176.870 0.327 0.000 1.073 279 L CA 1.555 56.606 54.840 0.352 0.000 0.748 279 L CB -0.856 41.355 42.059 0.253 0.000 0.891 279 L HN 0.201 nan 8.230 nan 0.000 0.431 280 A N -0.442 122.576 122.820 0.331 0.000 2.076 280 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 280 A C 2.145 179.974 177.584 0.408 0.000 1.160 280 A CA 1.666 53.984 52.037 0.469 0.000 0.653 280 A CB -0.360 18.849 19.000 0.347 0.000 0.801 280 A HN 0.512 nan 8.150 nan 0.000 0.455 281 E N -0.360 120.016 120.200 0.294 0.000 2.042 281 E HA -0.075 4.275 4.350 -0.000 0.000 0.189 281 E C 1.069 177.820 176.600 0.251 0.000 0.974 281 E CA 0.618 57.163 56.400 0.240 0.000 0.806 281 E CB -0.114 29.703 29.700 0.196 0.000 0.769 281 E HN 0.486 nan 8.360 nan 0.000 0.451 282 E N 0.158 120.535 120.200 0.295 0.000 2.482 282 E HA -0.063 4.287 4.350 -0.000 0.000 0.200 282 E C 0.913 177.696 176.600 0.305 0.000 1.147 282 E CA 0.680 57.278 56.400 0.329 0.000 0.912 282 E CB 0.082 30.078 29.700 0.493 0.000 0.938 282 E HN 0.490 nan 8.360 nan 0.000 0.519 283 G N 0.979 109.914 108.800 0.225 0.000 2.205 283 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.261 283 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.261 283 G C 0.458 175.324 174.900 -0.056 0.000 0.980 283 G CA -0.003 45.159 45.100 0.104 0.000 0.632 283 G HN 0.265 nan 8.290 nan 0.000 0.533 284 I N 0.896 121.483 120.570 0.027 0.000 2.648 284 I HA 0.248 4.418 4.170 -0.000 0.000 0.284 284 I C 1.667 177.635 176.117 -0.249 0.000 1.153 284 I CA 0.600 61.865 61.300 -0.058 0.000 1.426 284 I CB 0.891 38.917 38.000 0.044 0.000 1.381 284 I HN 0.169 nan 8.210 nan 0.000 0.571 285 M N 3.584 123.013 119.600 -0.286 0.000 2.304 285 M HA 0.065 4.545 4.480 -0.000 0.000 0.281 285 M C 0.007 176.346 176.300 0.067 0.000 1.014 285 M CA 0.208 55.286 55.300 -0.370 0.000 1.054 285 M CB 0.510 32.792 32.600 -0.531 0.000 1.551 285 M HN 0.719 nan 8.290 nan 0.000 0.548 286 S N -0.207 115.558 115.700 0.109 0.000 2.541 286 S HA 0.761 5.231 4.470 -0.000 0.000 0.271 286 S C -0.859 173.920 174.600 0.299 0.000 1.133 286 S CA -0.815 57.550 58.200 0.275 0.000 0.876 286 S CB 2.585 65.900 63.200 0.191 0.000 1.105 286 S HN -0.073 nan 8.310 nan 0.000 0.470 287 V N 2.698 122.825 119.914 0.355 0.000 2.638 287 V HA 0.483 4.603 4.120 -0.000 0.000 0.306 287 V C -1.745 174.354 176.094 0.007 0.000 1.052 287 V CA -0.683 61.715 62.300 0.163 0.000 0.885 287 V CB 1.833 33.706 31.823 0.084 0.000 0.999 287 V HN 0.955 nan 8.190 nan 0.000 0.424 288 Y N 4.766 124.881 120.300 -0.309 0.000 2.841 288 Y HA 0.581 5.131 4.550 -0.000 0.000 0.329 288 Y C -0.219 175.512 175.900 -0.282 0.000 1.062 288 Y CA -0.951 56.845 58.100 -0.505 0.000 1.281 288 Y CB 1.082 39.205 38.460 -0.563 0.000 1.147 288 Y HN 0.411 nan 8.280 nan 0.000 0.521 289 V N 7.311 126.952 119.914 -0.455 0.000 2.427 289 V HA 0.090 4.210 4.120 -0.000 0.000 0.268 289 V C 0.690 176.555 176.094 -0.381 0.000 1.046 289 V CA 0.490 62.531 62.300 -0.432 0.000 0.970 289 V CB 0.794 32.261 31.823 -0.595 0.000 1.001 289 V HN 0.841 nan 8.190 nan 0.000 0.476 290 E N 3.664 123.653 120.200 -0.351 0.000 2.508 290 E HA 0.278 4.628 4.350 -0.000 0.000 0.217 290 E C 0.776 177.275 176.600 -0.169 0.000 0.896 290 E CA 0.133 56.383 56.400 -0.250 0.000 1.118 290 E CB 0.985 30.423 29.700 -0.435 0.000 1.133 290 E HN 0.639 nan 8.360 nan 0.000 0.526 291 G N 0.354 108.973 108.800 -0.302 0.000 2.452 291 G HA2 0.539 4.499 3.960 -0.000 0.000 0.324 291 G HA3 0.539 4.499 3.960 -0.000 0.000 0.324 291 G C -0.012 174.633 174.900 -0.424 0.000 1.214 291 G CA -0.403 44.513 45.100 -0.308 0.000 0.947 291 G HN 0.524 nan 8.290 nan 0.000 0.478 292 G N 0.329 108.931 108.800 -0.329 0.000 3.402 292 G HA2 0.163 4.123 3.960 -0.000 0.000 0.686 292 G HA3 0.163 4.123 3.960 -0.000 0.000 0.686 292 G C 0.951 175.672 174.900 -0.299 0.000 0.983 292 G CA 0.464 45.409 45.100 -0.259 0.000 0.821 292 G HN 1.851 nan 8.290 nan 0.000 0.500 293 S N 1.361 116.991 115.700 -0.117 0.000 2.382 293 S HA 0.093 4.562 4.470 -0.000 0.000 0.228 293 S C 2.719 177.316 174.600 -0.006 0.000 1.027 293 S CA 1.831 60.026 58.200 -0.008 0.000 0.991 293 S CB -0.183 63.014 63.200 -0.004 0.000 0.823 293 S HN 2.203 nan 8.310 nan 0.000 0.469 294 A N 1.624 124.420 122.820 -0.041 0.000 1.898 294 A HA 0.096 4.416 4.320 -0.000 0.000 0.216 294 A C 2.425 179.999 177.584 -0.017 0.000 1.181 294 A CA 1.527 53.548 52.037 -0.026 0.000 0.620 294 A CB -1.142 17.837 19.000 -0.036 0.000 0.819 294 A HN 0.438 nan 8.150 nan 0.000 0.442 295 V N -0.201 119.676 119.914 -0.062 0.000 2.287 295 V HA -0.335 3.785 4.120 -0.000 0.000 0.248 295 V C 2.305 178.478 176.094 0.132 0.000 1.053 295 V CA 2.461 64.752 62.300 -0.015 0.000 1.027 295 V CB -1.223 30.528 31.823 -0.119 0.000 0.646 295 V HN 0.752 nan 8.190 nan 0.000 0.447 296 H N -0.225 118.887 119.070 0.071 0.000 2.387 296 H HA -0.072 4.484 4.556 -0.000 0.000 0.299 296 H C 2.354 177.725 175.328 0.071 0.000 1.090 296 H CA 0.976 57.056 56.048 0.052 0.000 1.332 296 H CB -0.318 29.434 29.762 -0.017 0.000 1.386 296 H HN 0.503 nan 8.280 nan 0.000 0.516 297 G N -0.070 108.822 108.800 0.153 0.000 2.421 297 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.216 297 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.216 297 G C 1.845 176.771 174.900 0.044 0.000 1.171 297 G CA 0.991 46.130 45.100 0.065 0.000 0.775 297 G HN 0.291 nan 8.290 nan 0.000 0.543 298 S N 0.760 116.484 115.700 0.041 0.000 2.359 298 S HA -0.141 4.329 4.470 -0.000 0.000 0.222 298 S C 2.005 176.606 174.600 0.001 0.000 1.038 298 S CA 1.463 59.646 58.200 -0.028 0.000 1.051 298 S CB -0.525 62.620 63.200 -0.092 0.000 0.944 298 S HN 0.330 nan 8.310 nan 0.000 0.433 299 F N 1.274 121.237 119.950 0.021 0.000 2.120 299 F HA -0.153 4.374 4.527 -0.000 0.000 0.300 299 F C 2.404 178.293 175.800 0.148 0.000 1.095 299 F CA 0.927 58.973 58.000 0.077 0.000 1.249 299 F CB -0.720 38.324 39.000 0.074 0.000 0.995 299 F HN 0.021 nan 8.300 nan 0.000 0.480 300 V N -0.180 119.884 119.914 0.251 0.000 2.270 300 V HA -0.274 3.846 4.120 -0.000 0.000 0.245 300 V C 2.574 178.834 176.094 0.277 0.000 1.043 300 V CA 1.743 64.175 62.300 0.219 0.000 1.014 300 V CB -0.546 31.309 31.823 0.053 0.000 0.645 300 V HN 0.196 nan 8.190 nan 0.000 0.447 301 K N 0.250 120.677 120.400 0.045 0.000 2.009 301 K HA -0.192 4.128 4.320 -0.000 0.000 0.210 301 K C 2.065 178.720 176.600 0.091 0.000 1.049 301 K CA 1.662 57.872 56.287 -0.127 0.000 0.929 301 K CB -0.339 32.002 32.500 -0.265 0.000 0.714 301 K HN 0.489 nan 8.250 nan 0.000 0.440 302 E N -0.572 119.670 120.200 0.070 0.000 2.333 302 E HA -0.103 4.246 4.350 -0.000 0.000 0.198 302 E C 0.944 177.625 176.600 0.136 0.000 1.007 302 E CA 0.902 57.343 56.400 0.068 0.000 0.845 302 E CB -0.184 29.506 29.700 -0.016 0.000 0.766 302 E HN 0.590 nan 8.360 nan 0.000 0.507 303 G N 1.257 110.210 108.800 0.255 0.000 2.221 303 G HA2 -0.302 3.657 3.960 -0.000 0.000 0.265 303 G HA3 -0.302 3.657 3.960 -0.000 0.000 0.265 303 G C 0.283 175.249 174.900 0.109 0.000 1.041 303 G CA 0.298 45.529 45.100 0.218 0.000 0.807 303 G HN 0.324 nan 8.290 nan 0.000 0.502 304 C N 1.220 120.700 119.300 0.299 0.000 2.560 304 C HA 0.681 5.141 4.460 -0.000 0.000 0.506 304 C C 0.134 175.382 174.990 0.431 0.000 1.116 304 C CA -0.273 58.918 59.018 0.289 0.000 1.425 304 C CB -2.403 25.513 27.740 0.292 0.000 1.543 304 C HN 0.738 nan 8.230 nan 0.000 0.586 305 F N -0.900 119.078 119.950 0.046 0.000 2.688 305 F HA 0.576 5.103 4.527 -0.000 0.000 0.308 305 F C -0.144 175.530 175.800 -0.209 0.000 1.117 305 F CA -0.920 57.026 58.000 -0.090 0.000 0.976 305 F CB 1.103 40.044 39.000 -0.097 0.000 1.291 305 F HN -0.140 nan 8.300 nan 0.000 0.439 306 Q N 0.278 119.864 119.800 -0.357 0.000 2.316 306 Q HA 0.366 4.706 4.340 -0.000 0.000 0.235 306 Q C -0.721 175.114 176.000 -0.276 0.000 0.863 306 Q CA 0.453 55.934 55.803 -0.537 0.000 0.939 306 Q CB 1.022 29.093 28.738 -1.110 0.000 1.108 306 Q HN 0.744 nan 8.270 nan 0.000 0.522 307 E N -0.038 120.109 120.200 -0.088 0.000 2.321 307 E HA 0.363 4.713 4.350 -0.000 0.000 0.278 307 E C -1.339 175.239 176.600 -0.036 0.000 0.902 307 E CA -0.491 55.911 56.400 0.003 0.000 0.758 307 E CB 1.634 31.374 29.700 0.067 0.000 1.213 307 E HN -0.051 nan 8.360 nan 0.000 0.426 308 I N 4.151 124.637 120.570 -0.140 0.000 2.406 308 I HA 0.409 4.579 4.170 -0.000 0.000 0.290 308 I C -0.725 175.158 176.117 -0.391 0.000 0.999 308 I CA -0.744 60.311 61.300 -0.407 0.000 1.124 308 I CB 1.286 38.940 38.000 -0.577 0.000 1.289 308 I HN 0.466 nan 8.210 nan 0.000 0.441 309 I N 7.317 127.640 120.570 -0.410 0.000 2.476 309 I HA 0.359 4.529 4.170 -0.000 0.000 0.281 309 I C -0.753 175.290 176.117 -0.124 0.000 1.040 309 I CA -0.119 61.006 61.300 -0.291 0.000 1.094 309 I CB 1.096 38.924 38.000 -0.288 0.000 1.219 309 I HN 0.104 nan 8.210 nan 0.000 0.450 310 F N 5.315 125.077 119.950 -0.314 0.000 2.469 310 F HA 0.504 5.031 4.527 -0.000 0.000 0.332 310 F C -0.375 175.091 175.800 -0.558 0.000 1.103 310 F CA -1.480 56.266 58.000 -0.423 0.000 0.979 310 F CB 1.261 39.942 39.000 -0.533 0.000 1.137 310 F HN 0.230 nan 8.300 nan 0.000 0.463 311 Y N 2.811 122.931 120.300 -0.301 0.000 2.331 311 Y HA 0.461 5.011 4.550 -0.000 0.000 0.338 311 Y C -0.752 174.923 175.900 -0.375 0.000 0.976 311 Y CA -0.644 57.318 58.100 -0.230 0.000 1.137 311 Y CB 1.029 39.438 38.460 -0.086 0.000 1.172 311 Y HN 0.280 nan 8.280 nan 0.000 0.478 312 F N 2.389 122.438 119.950 0.164 0.000 2.427 312 F HA 0.671 5.198 4.527 -0.000 0.000 0.346 312 F C 0.371 176.224 175.800 0.088 0.000 1.120 312 F CA -1.007 57.049 58.000 0.094 0.000 1.033 312 F CB 1.178 40.212 39.000 0.058 0.000 1.126 312 F HN 0.495 nan 8.300 nan 0.000 0.462 313 A N 4.909 127.877 122.820 0.247 0.000 2.303 313 A HA 0.631 4.951 4.320 -0.000 0.000 0.317 313 A C -2.317 175.350 177.584 0.139 0.000 1.149 313 A CA -1.719 50.416 52.037 0.163 0.000 0.822 313 A CB 0.257 19.331 19.000 0.123 0.000 1.131 313 A HN 0.502 nan 8.150 nan 0.000 0.493 314 P HA 0.172 nan 4.420 nan 0.000 0.231 314 P C -0.862 176.471 177.300 0.056 0.000 1.756 314 P CA 0.488 63.628 63.100 0.066 0.000 0.990 314 P CB -0.514 31.217 31.700 0.051 0.000 1.973 315 K N 1.302 121.740 120.400 0.065 0.000 2.512 315 K HA 0.596 4.916 4.320 -0.000 0.000 0.263 315 K C -0.695 175.933 176.600 0.048 0.000 0.966 315 K CA -0.999 55.321 56.287 0.056 0.000 0.851 315 K CB 2.409 34.953 32.500 0.072 0.000 1.395 315 K HN 0.114 nan 8.250 nan 0.000 0.440 316 L N 3.226 124.471 121.223 0.037 0.000 2.349 316 L HA 0.453 4.793 4.340 -0.000 0.000 0.278 316 L C 0.680 177.570 176.870 0.032 0.000 0.996 316 L CA -0.398 54.459 54.840 0.028 0.000 0.825 316 L CB 1.381 43.449 42.059 0.014 0.000 1.243 316 L HN 0.644 nan 8.230 nan 0.000 0.412 317 I N 1.266 121.856 120.570 0.032 0.000 2.927 317 I HA 0.181 4.351 4.170 -0.000 0.000 0.268 317 I C 1.461 177.591 176.117 0.022 0.000 1.153 317 I CA 0.592 61.911 61.300 0.032 0.000 1.459 317 I CB 0.039 38.059 38.000 0.033 0.000 1.149 317 I HN 0.853 nan 8.210 nan 0.000 0.443 318 G N 1.287 110.096 108.800 0.014 0.000 2.726 318 G HA2 0.003 3.962 3.960 -0.000 0.000 0.261 318 G HA3 0.003 3.962 3.960 -0.000 0.000 0.261 318 G C 0.361 175.262 174.900 0.003 0.000 1.352 318 G CA -0.239 44.864 45.100 0.004 0.000 0.906 318 G HN 1.165 nan 8.290 nan 0.000 0.566 319 G N -2.267 106.528 108.800 -0.009 0.000 3.439 319 G HA2 0.392 4.352 3.960 -0.000 0.000 0.686 319 G HA3 0.392 4.352 3.960 -0.000 0.000 0.686 319 G C -0.091 174.782 174.900 -0.046 0.000 1.075 319 G CA 0.456 45.549 45.100 -0.012 0.000 0.926 319 G HN 1.907 nan 8.290 nan 0.000 0.485 320 T N 3.591 118.075 114.554 -0.117 0.000 2.940 320 T HA 0.436 4.786 4.350 -0.000 0.000 0.309 320 T C 1.192 175.728 174.700 -0.274 0.000 1.056 320 T CA 1.270 63.196 62.100 -0.290 0.000 1.137 320 T CB 0.367 68.942 68.868 -0.487 0.000 0.976 320 T HN 1.262 nan 8.240 nan 0.000 0.547 321 H N -2.255 116.815 119.070 -0.001 0.000 3.863 321 H HA -0.149 4.406 4.556 -0.000 0.000 0.160 321 H C 0.570 175.895 175.328 -0.006 0.000 0.870 321 H CA 0.600 56.645 56.048 -0.004 0.000 1.247 321 H CB -1.892 27.868 29.762 -0.004 0.000 0.921 321 H HN 0.833 nan 8.280 nan 0.000 0.421 322 A N 3.134 125.998 122.820 0.073 0.000 2.409 322 A HA 0.473 4.793 4.320 -0.000 0.000 0.262 322 A C -1.728 175.872 177.584 0.027 0.000 1.113 322 A CA -0.916 51.147 52.037 0.042 0.000 0.790 322 A CB 0.371 19.384 19.000 0.022 0.000 1.046 322 A HN 0.047 nan 8.150 nan 0.000 0.496 323 P HA 0.064 nan 4.420 nan 0.000 0.264 323 P C -0.054 177.242 177.300 -0.007 0.000 1.193 323 P CA 0.312 63.414 63.100 0.004 0.000 0.763 323 P CB 0.697 32.391 31.700 -0.010 0.000 0.810 324 S N 2.632 118.328 115.700 -0.007 0.000 2.690 324 S HA 0.311 4.781 4.470 -0.000 0.000 0.291 324 S C 1.569 176.147 174.600 -0.036 0.000 1.138 324 S CA -0.969 57.222 58.200 -0.015 0.000 1.013 324 S CB 0.749 63.949 63.200 -0.000 0.000 1.053 324 S HN 0.317 nan 8.310 nan 0.000 0.539 325 L N -0.040 121.139 121.223 -0.074 0.000 2.010 325 L HA -0.048 4.292 4.340 -0.000 0.000 0.219 325 L C 0.473 177.312 176.870 -0.051 0.000 1.077 325 L CA 1.635 56.382 54.840 -0.155 0.000 0.773 325 L CB -0.319 41.542 42.059 -0.330 0.000 0.892 325 L HN 0.609 nan 8.230 nan 0.000 0.436 326 I N -0.822 119.751 120.570 0.004 0.000 2.439 326 I HA 0.145 4.315 4.170 -0.000 0.000 0.285 326 I C -0.029 176.108 176.117 0.032 0.000 1.021 326 I CA -0.287 61.046 61.300 0.055 0.000 1.091 326 I CB 1.771 39.825 38.000 0.089 0.000 1.242 326 I HN 0.072 nan 8.210 nan 0.000 0.439 327 S N 4.425 120.138 115.700 0.022 0.000 2.798 327 S HA 1.015 5.484 4.470 -0.000 0.000 0.312 327 S C 0.107 174.702 174.600 -0.009 0.000 1.122 327 S CA -0.042 58.161 58.200 0.004 0.000 0.949 327 S CB 2.062 65.261 63.200 -0.002 0.000 1.235 327 S HN 1.176 nan 8.310 nan 0.000 0.552 328 G N 0.294 109.083 108.800 -0.018 0.000 2.548 328 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.208 328 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.208 328 G C 0.232 175.101 174.900 -0.052 0.000 1.308 328 G CA 0.128 45.208 45.100 -0.034 0.000 0.924 328 G HN 0.681 nan 8.290 nan 0.000 0.540 329 E N 0.664 120.819 120.200 -0.075 0.000 2.017 329 E HA 0.098 4.448 4.350 -0.000 0.000 0.220 329 E C 1.762 178.280 176.600 -0.137 0.000 1.032 329 E CA 2.736 59.075 56.400 -0.103 0.000 0.888 329 E CB -1.036 28.584 29.700 -0.134 0.000 0.801 329 E HN 2.406 nan 8.360 nan 0.000 0.503 330 G N 0.067 108.716 108.800 -0.252 0.000 2.796 330 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.571 330 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.571 330 G C -0.689 173.951 174.900 -0.434 0.000 1.370 330 G CA -0.193 44.715 45.100 -0.321 0.000 0.856 330 G HN 0.130 nan 8.290 nan 0.000 0.538 331 F N 0.642 120.609 119.950 0.029 0.000 2.421 331 F HA 0.525 5.052 4.527 -0.000 0.000 0.337 331 F C 1.747 177.559 175.800 0.020 0.000 1.105 331 F CA -0.530 57.485 58.000 0.025 0.000 1.049 331 F CB 1.852 40.868 39.000 0.028 0.000 1.139 331 F HN 0.529 nan 8.300 nan 0.000 0.479 332 Q N 0.681 120.591 119.800 0.183 0.000 2.163 332 Q HA -0.004 4.336 4.340 -0.000 0.000 0.198 332 Q C 0.565 176.628 176.000 0.105 0.000 0.954 332 Q CA 0.615 56.483 55.803 0.109 0.000 0.851 332 Q CB 0.334 29.115 28.738 0.071 0.000 0.928 332 Q HN 0.557 nan 8.270 nan 0.000 0.459 333 S N -0.599 115.173 115.700 0.119 0.000 2.475 333 S HA 0.236 4.706 4.470 -0.000 0.000 0.298 333 S C 0.465 175.096 174.600 0.050 0.000 1.119 333 S CA -0.489 57.754 58.200 0.071 0.000 1.085 333 S CB 1.238 64.468 63.200 0.050 0.000 1.028 333 S HN 0.110 nan 8.310 nan 0.000 0.489 334 M N 4.837 124.453 119.600 0.026 0.000 2.229 334 M HA 0.008 4.488 4.480 -0.000 0.000 0.264 334 M C 1.985 178.262 176.300 -0.039 0.000 1.063 334 M CA 1.684 56.983 55.300 -0.002 0.000 1.114 334 M CB -0.494 32.108 32.600 0.004 0.000 1.387 334 M HN 0.847 nan 8.290 nan 0.000 0.420 335 K N -1.520 118.863 120.400 -0.028 0.000 2.280 335 K HA -0.146 4.173 4.320 -0.000 0.000 0.202 335 K C 0.210 176.763 176.600 -0.079 0.000 1.047 335 K CA 1.774 58.036 56.287 -0.042 0.000 0.942 335 K CB -0.424 32.063 32.500 -0.022 0.000 0.739 335 K HN 0.224 nan 8.250 nan 0.000 0.457 336 D N 1.140 121.483 120.400 -0.095 0.000 2.358 336 D HA 0.039 4.679 4.640 -0.000 0.000 0.224 336 D C -0.769 175.226 176.300 -0.508 0.000 1.123 336 D CA 0.037 53.929 54.000 -0.179 0.000 0.833 336 D CB 0.882 41.664 40.800 -0.031 0.000 0.946 336 D HN 0.033 nan 8.370 nan 0.000 0.505 337 V N 1.921 121.589 119.914 -0.411 0.000 2.364 337 V HA 0.337 4.457 4.120 -0.000 0.000 0.272 337 V C -2.301 173.583 176.094 -0.350 0.000 1.036 337 V CA -1.990 59.988 62.300 -0.536 0.000 0.880 337 V CB 1.126 32.807 31.823 -0.236 0.000 0.991 337 V HN -0.037 nan 8.190 nan 0.000 0.460 338 P HA 0.178 nan 4.420 nan 0.000 0.267 338 P C -0.746 176.483 177.300 -0.118 0.000 1.205 338 P CA -0.315 62.674 63.100 -0.185 0.000 0.765 338 P CB 0.484 32.112 31.700 -0.120 0.000 0.828 339 L N 4.622 125.784 121.223 -0.103 0.000 2.331 339 L HA 0.264 4.604 4.340 -0.000 0.000 0.278 339 L C -0.674 176.138 176.870 -0.098 0.000 1.106 339 L CA 0.223 55.008 54.840 -0.091 0.000 0.824 339 L CB -0.318 41.695 42.059 -0.076 0.000 1.142 339 L HN 0.276 nan 8.230 nan 0.000 0.443 340 L N 3.706 124.852 121.223 -0.128 0.000 2.491 340 L HA 0.607 4.947 4.340 -0.000 0.000 0.264 340 L C -0.359 176.388 176.870 -0.205 0.000 1.053 340 L CA -0.928 53.817 54.840 -0.159 0.000 0.858 340 L CB 1.117 43.062 42.059 -0.191 0.000 1.519 340 L HN 0.610 nan 8.230 nan 0.000 0.508 341 Q N 0.150 119.812 119.800 -0.231 0.000 2.289 341 Q HA 0.391 4.730 4.340 -0.000 0.000 0.270 341 Q C -1.796 174.080 176.000 -0.206 0.000 1.038 341 Q CA -0.615 55.080 55.803 -0.180 0.000 0.812 341 Q CB 2.013 30.708 28.738 -0.072 0.000 1.300 341 Q HN 0.291 nan 8.270 nan 0.000 0.427 342 F N 1.665 121.615 119.950 -0.001 0.000 2.456 342 F HA 0.147 4.674 4.527 -0.000 0.000 0.358 342 F C 1.539 177.340 175.800 0.002 0.000 1.095 342 F CA 0.404 58.403 58.000 -0.002 0.000 1.216 342 F CB 1.526 40.529 39.000 0.005 0.000 1.125 342 F HN 0.649 nan 8.300 nan 0.000 0.549 343 T N -2.321 112.350 114.554 0.196 0.000 2.990 343 T HA 0.238 4.588 4.350 -0.000 0.000 0.250 343 T C -0.203 174.560 174.700 0.106 0.000 1.041 343 T CA -0.009 62.162 62.100 0.117 0.000 1.010 343 T CB 0.097 69.013 68.868 0.080 0.000 1.003 343 T HN 0.479 nan 8.240 nan 0.000 0.499 344 D N -0.205 120.267 120.400 0.121 0.000 2.836 344 D HA 0.436 5.076 4.640 -0.000 0.000 0.215 344 D C -1.827 174.496 176.300 0.038 0.000 1.255 344 D CA -0.632 53.410 54.000 0.070 0.000 0.822 344 D CB 1.531 42.368 40.800 0.062 0.000 1.656 344 D HN -0.004 nan 8.370 nan 0.000 0.511 345 I N 3.040 123.613 120.570 0.005 0.000 2.495 345 I HA 0.307 4.477 4.170 -0.000 0.000 0.277 345 I C -0.371 175.742 176.117 -0.007 0.000 1.045 345 I CA -0.456 60.828 61.300 -0.027 0.000 1.135 345 I CB 0.599 38.560 38.000 -0.064 0.000 1.241 345 I HN 0.292 nan 8.210 nan 0.000 0.469 346 T N 5.076 119.630 114.554 0.001 0.000 2.797 346 T HA 0.377 4.727 4.350 -0.000 0.000 0.279 346 T C -0.052 174.666 174.700 0.029 0.000 0.991 346 T CA -0.464 61.646 62.100 0.017 0.000 0.979 346 T CB 2.168 71.052 68.868 0.026 0.000 0.943 346 T HN 0.461 nan 8.240 nan 0.000 0.444 347 Q N 2.784 122.605 119.800 0.036 0.000 2.256 347 Q HA 0.571 4.911 4.340 -0.000 0.000 0.254 347 Q C -1.173 174.867 176.000 0.066 0.000 0.916 347 Q CA -0.392 55.441 55.803 0.050 0.000 0.932 347 Q CB 0.549 29.309 28.738 0.037 0.000 1.207 347 Q HN 0.613 nan 8.270 nan 0.000 0.426 348 I N 4.421 125.047 120.570 0.094 0.000 2.468 348 I HA 0.396 4.566 4.170 -0.000 0.000 0.284 348 I C 0.579 176.756 176.117 0.099 0.000 1.038 348 I CA -0.354 61.011 61.300 0.107 0.000 1.083 348 I CB 1.497 39.597 38.000 0.166 0.000 1.223 348 I HN 0.984 nan 8.210 nan 0.000 0.443 349 G N 6.016 114.859 108.800 0.071 0.000 2.582 349 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.288 349 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.288 349 G C 0.629 175.565 174.900 0.061 0.000 1.247 349 G CA 0.274 45.410 45.100 0.060 0.000 0.972 349 G HN 0.715 nan 8.290 nan 0.000 0.557 350 R N 1.141 121.678 120.500 0.060 0.000 2.307 350 R HA 0.141 4.481 4.340 -0.000 0.000 0.199 350 R C -0.072 176.276 176.300 0.080 0.000 1.000 350 R CA 0.880 57.015 56.100 0.059 0.000 1.023 350 R CB -0.082 30.248 30.300 0.050 0.000 0.908 350 R HN 0.510 nan 8.270 nan 0.000 0.473 351 D N 0.637 121.100 120.400 0.105 0.000 2.268 351 D HA 0.276 4.916 4.640 -0.000 0.000 0.249 351 D C 0.031 176.420 176.300 0.147 0.000 1.008 351 D CA -0.368 53.718 54.000 0.144 0.000 0.939 351 D CB 1.672 42.582 40.800 0.183 0.000 1.170 351 D HN -0.187 nan 8.370 nan 0.000 0.468 352 I N 0.822 121.494 120.570 0.171 0.000 2.404 352 I HA 0.222 4.392 4.170 -0.000 0.000 0.293 352 I C 0.368 176.567 176.117 0.137 0.000 0.992 352 I CA -0.694 60.690 61.300 0.140 0.000 1.149 352 I CB 1.262 39.343 38.000 0.136 0.000 1.315 352 I HN 0.193 nan 8.210 nan 0.000 0.446 353 K N 7.515 127.930 120.400 0.026 0.000 2.307 353 K HA 0.624 4.943 4.320 -0.000 0.000 0.263 353 K C -1.621 174.919 176.600 -0.099 0.000 0.973 353 K CA -0.513 55.667 56.287 -0.177 0.000 0.846 353 K CB 1.240 33.531 32.500 -0.349 0.000 1.100 353 K HN 0.569 nan 8.250 nan 0.000 0.438 354 L N 3.626 124.811 121.223 -0.062 0.000 2.322 354 L HA 0.392 4.732 4.340 -0.000 0.000 0.281 354 L C 0.069 176.950 176.870 0.017 0.000 1.014 354 L CA -0.883 53.982 54.840 0.042 0.000 0.815 354 L CB 1.839 44.025 42.059 0.212 0.000 1.247 354 L HN 0.747 nan 8.230 nan 0.000 0.421 355 T N 1.181 115.780 114.554 0.076 0.000 2.841 355 T HA 0.839 5.189 4.350 -0.000 0.000 0.283 355 T C -0.700 174.077 174.700 0.128 0.000 1.000 355 T CA -0.417 61.702 62.100 0.030 0.000 0.977 355 T CB 1.876 70.753 68.868 0.014 0.000 0.979 355 T HN 0.753 nan 8.240 nan 0.000 0.446 356 A N 3.680 126.492 122.820 -0.014 0.000 2.454 356 A HA 0.895 5.215 4.320 -0.000 0.000 0.302 356 A C -0.891 176.646 177.584 -0.078 0.000 1.079 356 A CA -0.984 50.994 52.037 -0.097 0.000 0.731 356 A CB 1.574 20.370 19.000 -0.341 0.000 1.299 356 A HN 0.876 nan 8.150 nan 0.000 0.413 357 K N 1.202 121.556 120.400 -0.077 0.000 2.443 357 K HA 0.597 4.917 4.320 -0.000 0.000 0.251 357 K C -2.924 173.626 176.600 -0.082 0.000 0.972 357 K CA -2.018 54.239 56.287 -0.050 0.000 0.833 357 K CB 2.593 35.074 32.500 -0.031 0.000 1.317 357 K HN 0.529 nan 8.250 nan 0.000 0.441 358 P HA -0.079 nan 4.420 nan 0.000 0.271 358 P C -0.193 177.038 177.300 -0.115 0.000 1.216 358 P CA 0.168 63.174 63.100 -0.156 0.000 0.776 358 P CB 0.226 31.746 31.700 -0.299 0.000 0.881 359 T N 0.000 114.494 114.554 -0.100 0.000 3.816 359 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 359 T CA 0.000 62.055 62.100 -0.074 0.000 1.349 359 T CB 0.000 68.826 68.868 -0.070 0.000 0.612 359 T HN 0.000 nan 8.240 nan 0.000 0.658