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 2jan_1_B DATA FIRST_RESID 5 DATA SEQUENCE ILDELSWRGL IAQSTDLDTL AAEAQRGPMT VYAGFDPTAP SLHAGHLVPL DATA SEQUENCE LTLRRFQRAG HRPIVLAGGA TGMIGXXXXX XXXXXXXXXT VAEWTERIRG DATA SEQUENCE QLERFVDFDD SPMGAIVENN LEWTGSLSAI EFLRDIGKHF SVNVMLARDT DATA SEQUENCE IRRRLAGEGI SYTEFSYLLL QANDYVELHR RHGCTLQIGG ADQWGNIIAG DATA SEQUENCE VRLVRQKLGA TVHALTVPLV TAADGTKFGK STGGGSLWLD PQMTSPYAWY DATA SEQUENCE QYFVNTADAD VIRYLRWFTF LSADELAELE QATAQRPQQR AAQRRLASEL DATA SEQUENCE TVLVHGEAAT AAVEHASRAL FGRGELARLD EATLAAALRE TTVAELKPGS DATA SEQUENCE PDGIVDLLVA SGLSASKGAA RRTIHEGGVS VNNIRVDNEE WVPQSSDFLH DATA SEQUENCE GRWLVLRRGK RSIAGVERI 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 5 I HA 0.000 nan 4.170 nan 0.000 0.288 5 I C 0.000 176.015 176.117 -0.170 0.000 1.063 5 I CA 0.000 61.227 61.300 -0.123 0.000 1.566 5 I CB 0.000 37.907 38.000 -0.155 0.000 1.214 6 L N 1.863 123.032 121.223 -0.091 0.000 2.217 6 L HA 0.024 4.365 4.340 0.002 0.000 0.211 6 L C 1.772 178.620 176.870 -0.037 0.000 1.107 6 L CA 1.804 56.602 54.840 -0.070 0.000 0.783 6 L CB -0.734 41.307 42.059 -0.029 0.000 0.919 6 L HN 0.283 nan 8.230 nan 0.000 0.442 7 D N -0.707 119.700 120.400 0.012 0.000 2.137 7 D HA -0.128 4.513 4.640 0.002 0.000 0.202 7 D C 2.063 178.462 176.300 0.165 0.000 0.970 7 D CA 0.617 54.675 54.000 0.097 0.000 0.837 7 D CB 0.080 40.953 40.800 0.121 0.000 0.981 7 D HN 0.261 nan 8.370 nan 0.000 0.475 8 E N 0.904 121.151 120.200 0.080 0.000 2.033 8 E HA -0.143 4.208 4.350 0.002 0.000 0.199 8 E C 2.467 178.785 176.600 -0.470 0.000 1.011 8 E CA 0.583 56.938 56.400 -0.075 0.000 0.815 8 E CB -0.335 29.326 29.700 -0.064 0.000 0.755 8 E HN 0.320 nan 8.360 nan 0.000 0.451 9 L N 0.463 121.493 121.223 -0.322 0.000 2.083 9 L HA -0.167 4.174 4.340 0.002 0.000 0.209 9 L C 2.753 179.447 176.870 -0.295 0.000 1.083 9 L CA 1.006 55.640 54.840 -0.343 0.000 0.752 9 L CB -0.481 41.429 42.059 -0.248 0.000 0.899 9 L HN 0.113 nan 8.230 nan 0.000 0.433 10 S N 0.241 115.842 115.700 -0.166 0.000 2.356 10 S HA -0.185 4.286 4.470 0.002 0.000 0.223 10 S C 1.882 176.483 174.600 0.002 0.000 1.032 10 S CA 1.529 59.694 58.200 -0.059 0.000 1.005 10 S CB -0.297 62.915 63.200 0.020 0.000 0.867 10 S HN 0.617 nan 8.310 nan 0.000 0.449 11 W N 1.330 122.617 121.300 -0.022 0.000 2.453 11 W HA 0.099 4.760 4.660 0.001 0.000 0.289 11 W C 1.706 178.237 176.519 0.020 0.000 1.215 11 W CA 0.274 57.617 57.345 -0.003 0.000 1.297 11 W CB -0.818 28.638 29.460 -0.007 0.000 1.113 11 W HN 0.237 nan 8.180 nan 0.000 0.551 12 R N 1.062 121.104 120.500 -0.764 0.000 2.237 12 R HA 0.034 4.375 4.340 0.002 0.000 0.219 12 R C 1.607 177.853 176.300 -0.091 0.000 1.080 12 R CA 1.104 56.827 56.100 -0.630 0.000 0.995 12 R CB -0.767 29.004 30.300 -0.881 0.000 0.875 12 R HN 0.379 nan 8.270 nan 0.000 0.462 13 G N 0.971 109.705 108.800 -0.110 0.000 2.248 13 G HA2 -0.229 3.732 3.960 0.002 0.000 0.263 13 G HA3 -0.229 3.732 3.960 0.002 0.000 0.263 13 G C 0.296 175.024 174.900 -0.286 0.000 1.082 13 G CA -0.204 44.883 45.100 -0.022 0.000 0.863 13 G HN 0.288 nan 8.290 nan 0.000 0.495 14 L N -0.623 120.354 121.223 -0.410 0.000 2.640 14 L HA 0.385 4.726 4.340 0.002 0.000 0.230 14 L C 1.291 177.941 176.870 -0.366 0.000 1.123 14 L CA -0.040 54.461 54.840 -0.565 0.000 0.900 14 L CB 0.266 42.009 42.059 -0.527 0.000 1.146 14 L HN 0.318 nan 8.230 nan 0.000 0.484 15 I N 0.614 121.037 120.570 -0.245 0.000 2.278 15 I HA 0.116 4.287 4.170 0.002 0.000 0.296 15 I C 1.328 177.344 176.117 -0.168 0.000 1.121 15 I CA -0.226 60.975 61.300 -0.166 0.000 1.267 15 I CB 1.290 39.225 38.000 -0.109 0.000 1.447 15 I HN 0.044 nan 8.210 nan 0.000 0.509 16 A N 5.365 128.076 122.820 -0.181 0.000 1.898 16 A HA -0.011 4.310 4.320 0.002 0.000 0.214 16 A C 0.929 178.398 177.584 -0.191 0.000 1.183 16 A CA 1.136 53.069 52.037 -0.172 0.000 0.622 16 A CB 0.138 19.041 19.000 -0.161 0.000 0.824 16 A HN 0.735 nan 8.150 nan 0.000 0.444 17 Q N -1.695 117.983 119.800 -0.204 0.000 2.527 17 Q HA 0.502 4.843 4.340 0.002 0.000 0.280 17 Q C -1.478 174.395 176.000 -0.211 0.000 0.977 17 Q CA -0.023 55.565 55.803 -0.359 0.000 0.837 17 Q CB 1.773 30.069 28.738 -0.736 0.000 1.454 17 Q HN 0.560 nan 8.270 nan 0.000 0.387 18 S N -0.206 115.374 115.700 -0.200 0.000 2.615 18 S HA 0.647 5.118 4.470 0.002 0.000 0.269 18 S C -0.407 174.331 174.600 0.230 0.000 1.161 18 S CA -0.158 58.117 58.200 0.124 0.000 0.817 18 S CB 1.267 64.513 63.200 0.078 0.000 1.131 18 S HN 0.783 nan 8.310 nan 0.000 0.467 19 T N -0.708 114.057 114.554 0.353 0.000 2.732 19 T HA 0.354 4.705 4.350 0.002 0.000 0.287 19 T C 0.023 174.819 174.700 0.160 0.000 0.993 19 T CA -0.392 61.873 62.100 0.275 0.000 0.966 19 T CB -0.082 68.945 68.868 0.265 0.000 1.047 19 T HN 0.724 nan 8.240 nan 0.000 0.527 20 D N 0.094 120.575 120.400 0.135 0.000 2.658 20 D HA -0.070 4.571 4.640 0.002 0.000 0.230 20 D C 1.120 177.447 176.300 0.045 0.000 1.118 20 D CA 0.250 54.298 54.000 0.080 0.000 0.848 20 D CB 0.366 41.214 40.800 0.080 0.000 1.160 20 D HN 0.534 nan 8.370 nan 0.000 0.497 21 L N 3.447 124.681 121.223 0.018 0.000 2.109 21 L HA -0.129 4.212 4.340 0.002 0.000 0.207 21 L C 2.048 178.906 176.870 -0.021 0.000 1.086 21 L CA 0.617 55.451 54.840 -0.009 0.000 0.760 21 L CB -0.164 41.892 42.059 -0.006 0.000 0.910 21 L HN 0.475 nan 8.230 nan 0.000 0.437 22 D N -0.235 120.164 120.400 -0.003 0.000 2.087 22 D HA -0.169 4.472 4.640 0.002 0.000 0.192 22 D C 1.988 178.284 176.300 -0.007 0.000 0.993 22 D CA 2.118 56.118 54.000 0.000 0.000 0.828 22 D CB 0.037 40.845 40.800 0.012 0.000 0.968 22 D HN 0.289 nan 8.370 nan 0.000 0.448 23 T N 1.559 116.118 114.554 0.009 0.000 2.720 23 T HA -0.192 4.159 4.350 0.002 0.000 0.268 23 T C 1.955 176.605 174.700 -0.083 0.000 1.037 23 T CA 0.742 62.861 62.100 0.032 0.000 1.144 23 T CB -0.386 68.562 68.868 0.133 0.000 0.864 23 T HN 0.039 nan 8.240 nan 0.000 0.444 24 L N 1.568 122.644 121.223 -0.245 0.000 2.027 24 L HA 0.156 4.497 4.340 0.002 0.000 0.206 24 L C 2.692 179.446 176.870 -0.194 0.000 1.074 24 L CA 1.826 56.384 54.840 -0.469 0.000 0.745 24 L CB -1.309 40.523 42.059 -0.380 0.000 0.898 24 L HN 0.240 nan 8.230 nan 0.000 0.433 25 A N -0.216 122.549 122.820 -0.092 0.000 1.873 25 A HA -0.220 4.101 4.320 0.002 0.000 0.218 25 A C 2.495 180.074 177.584 -0.009 0.000 1.193 25 A CA 2.411 54.428 52.037 -0.032 0.000 0.629 25 A CB -1.393 17.600 19.000 -0.012 0.000 0.826 25 A HN 0.612 nan 8.150 nan 0.000 0.447 26 A N -0.389 122.427 122.820 -0.007 0.000 1.884 26 A HA -0.290 4.031 4.320 0.002 0.000 0.219 26 A C 2.046 179.649 177.584 0.031 0.000 1.197 26 A CA 2.261 54.308 52.037 0.018 0.000 0.637 26 A CB -0.730 18.285 19.000 0.026 0.000 0.827 26 A HN 0.701 nan 8.150 nan 0.000 0.450 27 E N -0.472 119.741 120.200 0.021 0.000 2.204 27 E HA -0.036 4.315 4.350 0.002 0.000 0.194 27 E C 2.011 178.648 176.600 0.063 0.000 0.989 27 E CA 0.962 57.393 56.400 0.053 0.000 0.824 27 E CB -0.266 29.480 29.700 0.077 0.000 0.756 27 E HN 0.565 nan 8.360 nan 0.000 0.477 28 A N 0.362 123.207 122.820 0.041 0.000 1.902 28 A HA -0.226 4.095 4.320 0.002 0.000 0.217 28 A C 2.104 179.795 177.584 0.178 0.000 1.181 28 A CA 1.537 53.641 52.037 0.112 0.000 0.623 28 A CB -0.454 18.591 19.000 0.076 0.000 0.818 28 A HN 0.213 nan 8.150 nan 0.000 0.443 29 Q N -0.714 119.148 119.800 0.104 0.000 2.016 29 Q HA -0.093 4.248 4.340 0.002 0.000 0.200 29 Q C 2.169 178.218 176.000 0.082 0.000 0.978 29 Q CA 1.644 57.497 55.803 0.083 0.000 0.833 29 Q CB -0.431 28.339 28.738 0.055 0.000 0.895 29 Q HN 0.658 nan 8.270 nan 0.000 0.427 30 R N -0.446 120.100 120.500 0.076 0.000 2.208 30 R HA -0.181 4.160 4.340 0.002 0.000 0.262 30 R C 0.282 176.632 176.300 0.084 0.000 1.166 30 R CA 1.412 57.555 56.100 0.073 0.000 0.987 30 R CB -0.243 30.102 30.300 0.074 0.000 0.887 30 R HN 0.345 nan 8.270 nan 0.000 0.459 31 G N -2.038 106.833 108.800 0.119 0.000 2.346 31 G HA2 -0.071 3.890 3.960 0.002 0.000 0.294 31 G HA3 -0.071 3.890 3.960 0.002 0.000 0.294 31 G C -2.799 172.223 174.900 0.204 0.000 1.294 31 G CA -0.677 44.499 45.100 0.126 0.000 0.962 31 G HN 0.040 nan 8.290 nan 0.000 0.508 32 P HA 0.135 nan 4.420 nan 0.000 0.253 32 P C 0.352 177.830 177.300 0.297 0.000 1.170 32 P CA 0.681 63.947 63.100 0.277 0.000 0.806 32 P CB -0.113 31.663 31.700 0.126 0.000 0.775 33 M N 2.019 121.857 119.600 0.396 0.000 2.202 33 M HA 0.174 4.655 4.480 0.002 0.000 0.316 33 M C 0.810 177.204 176.300 0.158 0.000 1.138 33 M CA 0.430 55.830 55.300 0.166 0.000 1.151 33 M CB 0.399 32.987 32.600 -0.020 0.000 1.422 33 M HN 0.162 nan 8.290 nan 0.000 0.471 34 T N 2.045 116.668 114.554 0.116 0.000 2.743 34 T HA 0.508 4.859 4.350 0.002 0.000 0.292 34 T C -0.500 174.231 174.700 0.051 0.000 0.972 34 T CA -0.615 61.542 62.100 0.094 0.000 0.967 34 T CB 0.527 69.464 68.868 0.114 0.000 0.926 34 T HN 0.369 nan 8.240 nan 0.000 0.459 35 V N 4.851 124.747 119.914 -0.030 0.000 2.513 35 V HA 0.614 4.735 4.120 0.002 0.000 0.299 35 V C -0.679 175.388 176.094 -0.045 0.000 1.035 35 V CA -1.131 61.069 62.300 -0.166 0.000 0.889 35 V CB 1.050 32.547 31.823 -0.544 0.000 0.988 35 V HN 0.866 nan 8.190 nan 0.000 0.440 36 Y N 2.570 122.757 120.300 -0.188 0.000 2.524 36 Y HA 0.935 5.486 4.550 0.001 0.000 0.344 36 Y C -0.412 175.400 175.900 -0.147 0.000 1.012 36 Y CA -1.094 56.925 58.100 -0.136 0.000 1.068 36 Y CB 1.971 40.373 38.460 -0.096 0.000 1.249 36 Y HN 0.830 nan 8.280 nan 0.000 0.468 37 A N 2.063 124.877 122.820 -0.009 0.000 2.486 37 A HA 0.791 5.112 4.320 0.002 0.000 0.300 37 A C -0.616 177.059 177.584 0.151 0.000 1.048 37 A CA -0.383 51.593 52.037 -0.101 0.000 0.696 37 A CB 1.105 20.061 19.000 -0.074 0.000 1.278 37 A HN 1.451 nan 8.150 nan 0.000 0.405 38 G N -0.134 108.739 108.800 0.122 0.000 2.441 38 G HA2 0.794 4.755 3.960 0.002 0.000 0.334 38 G HA3 0.794 4.755 3.960 0.002 0.000 0.334 38 G C -0.866 174.187 174.900 0.253 0.000 1.161 38 G CA -0.520 44.714 45.100 0.224 0.000 0.935 38 G HN 1.698 nan 8.290 nan 0.000 0.488 39 F N -0.077 119.898 119.950 0.042 0.000 2.615 39 F HA 0.540 5.068 4.527 0.002 0.000 0.312 39 F C -1.180 174.636 175.800 0.027 0.000 1.119 39 F CA -1.590 56.415 58.000 0.009 0.000 0.979 39 F CB 1.732 40.671 39.000 -0.101 0.000 1.266 39 F HN 0.504 nan 8.300 nan 0.000 0.444 40 D N 6.054 126.468 120.400 0.024 0.000 2.358 40 D HA 0.282 4.923 4.640 0.002 0.000 0.258 40 D C -1.748 174.537 176.300 -0.026 0.000 1.223 40 D CA -1.770 52.199 54.000 -0.052 0.000 0.886 40 D CB 1.266 42.109 40.800 0.072 0.000 1.120 40 D HN 0.392 nan 8.370 nan 0.000 0.482 41 P HA -0.024 nan 4.420 nan 0.000 0.255 41 P C 1.007 178.391 177.300 0.141 0.000 1.248 41 P CA 0.336 63.488 63.100 0.086 0.000 0.807 41 P CB 0.079 31.725 31.700 -0.091 0.000 1.150 42 T N -2.165 112.414 114.554 0.041 0.000 2.833 42 T HA 0.033 4.384 4.350 0.002 0.000 0.269 42 T C 1.175 175.952 174.700 0.128 0.000 1.054 42 T CA 0.535 62.642 62.100 0.011 0.000 1.135 42 T CB -0.989 67.879 68.868 -0.000 0.000 0.869 42 T HN 0.138 nan 8.240 nan 0.000 0.466 43 A N 3.456 126.426 122.820 0.251 0.000 2.498 43 A HA 0.407 4.728 4.320 0.002 0.000 0.239 43 A C -0.468 177.332 177.584 0.360 0.000 1.068 43 A CA -1.070 51.151 52.037 0.305 0.000 0.766 43 A CB 0.237 19.494 19.000 0.428 0.000 1.003 43 A HN 0.360 nan 8.150 nan 0.000 0.497 44 P HA 0.035 nan 4.420 nan 0.000 0.236 44 P C 0.297 177.612 177.300 0.025 0.000 1.177 44 P CA 0.993 64.191 63.100 0.162 0.000 0.773 44 P CB 0.384 32.040 31.700 -0.073 0.000 0.878 45 S N -1.310 114.406 115.700 0.026 0.000 2.588 45 S HA 0.459 4.930 4.470 0.002 0.000 0.269 45 S C -1.233 173.551 174.600 0.307 0.000 1.157 45 S CA -0.806 57.445 58.200 0.085 0.000 0.824 45 S CB 0.357 63.610 63.200 0.088 0.000 1.126 45 S HN -0.122 nan 8.310 nan 0.000 0.464 46 L N 3.521 124.826 121.223 0.138 0.000 2.417 46 L HA 0.484 4.825 4.340 0.002 0.000 0.268 46 L C 0.283 177.404 176.870 0.417 0.000 1.158 46 L CA -0.474 54.415 54.840 0.083 0.000 0.819 46 L CB 0.527 42.471 42.059 -0.192 0.000 1.112 46 L HN 0.885 nan 8.230 nan 0.000 0.458 47 H N 0.553 119.939 119.070 0.526 0.000 2.771 47 H HA 0.574 5.131 4.556 0.002 0.000 0.344 47 H C 0.597 176.060 175.328 0.225 0.000 1.260 47 H CA -0.504 55.666 56.048 0.204 0.000 1.276 47 H CB 0.835 30.369 29.762 -0.379 0.000 1.881 47 H HN 0.487 nan 8.280 nan 0.000 0.615 48 A N 0.266 123.306 122.820 0.366 0.000 1.986 48 A HA -0.112 4.209 4.320 0.002 0.000 0.220 48 A C 2.342 180.145 177.584 0.365 0.000 1.171 48 A CA 1.946 54.158 52.037 0.293 0.000 0.640 48 A CB -1.775 17.062 19.000 -0.270 0.000 0.811 48 A HN 0.937 nan 8.150 nan 0.000 0.451 49 G N -1.319 107.694 108.800 0.354 0.000 2.462 49 G HA2 -0.223 3.738 3.960 0.002 0.000 0.220 49 G HA3 -0.223 3.738 3.960 0.002 0.000 0.220 49 G C 1.195 176.069 174.900 -0.043 0.000 1.121 49 G CA 1.276 46.487 45.100 0.186 0.000 0.758 49 G HN 0.805 nan 8.290 nan 0.000 0.559 50 H N -0.558 118.563 119.070 0.085 0.000 2.551 50 H HA 0.298 4.855 4.556 0.002 0.000 0.266 50 H C 2.393 177.706 175.328 -0.026 0.000 0.964 50 H CA -0.220 55.801 56.048 -0.046 0.000 1.180 50 H CB 0.172 29.808 29.762 -0.210 0.000 1.408 50 H HN 0.219 nan 8.280 nan 0.000 0.563 51 L N -0.129 121.237 121.223 0.239 0.000 2.013 51 L HA -0.234 4.107 4.340 0.002 0.000 0.212 51 L C 2.075 179.107 176.870 0.269 0.000 1.073 51 L CA 1.120 56.150 54.840 0.317 0.000 0.753 51 L CB -0.459 41.897 42.059 0.496 0.000 0.890 51 L HN 0.215 nan 8.230 nan 0.000 0.432 52 V N -0.229 119.828 119.914 0.238 0.000 2.237 52 V HA -0.163 3.958 4.120 0.002 0.000 0.245 52 V C -0.162 175.928 176.094 -0.008 0.000 1.046 52 V CA 2.053 64.391 62.300 0.063 0.000 1.007 52 V CB -1.627 30.140 31.823 -0.094 0.000 0.638 52 V HN 0.320 nan 8.190 nan 0.000 0.445 53 P HA -0.150 nan 4.420 nan 0.000 0.216 53 P C 1.912 179.194 177.300 -0.031 0.000 1.150 53 P CA 1.556 64.637 63.100 -0.032 0.000 0.843 53 P CB -0.043 31.644 31.700 -0.022 0.000 0.787 54 L N -1.602 119.569 121.223 -0.087 0.000 2.005 54 L HA -0.126 4.215 4.340 0.002 0.000 0.207 54 L C 2.514 179.432 176.870 0.080 0.000 1.072 54 L CA 1.291 56.019 54.840 -0.187 0.000 0.744 54 L CB -1.015 40.571 42.059 -0.788 0.000 0.895 54 L HN -0.081 nan 8.230 nan 0.000 0.433 55 L N -0.790 120.570 121.223 0.228 0.000 2.191 55 L HA -0.189 4.152 4.340 0.002 0.000 0.212 55 L C 2.555 179.530 176.870 0.175 0.000 1.103 55 L CA 1.184 56.226 54.840 0.337 0.000 0.769 55 L CB -0.795 41.456 42.059 0.319 0.000 0.908 55 L HN 0.308 nan 8.230 nan 0.000 0.438 56 T N 0.058 114.665 114.554 0.088 0.000 2.737 56 T HA -0.142 4.209 4.350 0.002 0.000 0.265 56 T C 1.998 176.848 174.700 0.251 0.000 1.038 56 T CA 0.975 63.127 62.100 0.087 0.000 1.144 56 T CB -0.191 68.696 68.868 0.032 0.000 0.866 56 T HN 0.189 nan 8.240 nan 0.000 0.434 57 L N 0.684 122.022 121.223 0.191 0.000 2.043 57 L HA -0.185 4.156 4.340 0.002 0.000 0.212 57 L C 2.903 179.926 176.870 0.254 0.000 1.075 57 L CA 1.551 56.509 54.840 0.197 0.000 0.752 57 L CB -0.441 41.658 42.059 0.067 0.000 0.891 57 L HN 0.216 nan 8.230 nan 0.000 0.432 58 R N 0.099 120.748 120.500 0.248 0.000 2.103 58 R HA -0.203 4.138 4.340 0.002 0.000 0.242 58 R C 2.423 178.898 176.300 0.292 0.000 1.142 58 R CA 1.558 57.818 56.100 0.268 0.000 0.960 58 R CB -0.099 30.424 30.300 0.372 0.000 0.858 58 R HN 0.314 nan 8.270 nan 0.000 0.439 59 R N -0.763 119.923 120.500 0.309 0.000 2.081 59 R HA -0.137 4.204 4.340 0.002 0.000 0.235 59 R C 2.243 178.610 176.300 0.112 0.000 1.131 59 R CA 1.665 57.900 56.100 0.224 0.000 0.960 59 R CB -0.429 29.880 30.300 0.016 0.000 0.856 59 R HN 0.235 nan 8.270 nan 0.000 0.436 60 F N 1.350 121.378 119.950 0.130 0.000 2.126 60 F HA -0.238 4.290 4.527 0.001 0.000 0.299 60 F C 2.877 178.771 175.800 0.158 0.000 1.096 60 F CA 1.622 59.729 58.000 0.179 0.000 1.255 60 F CB -0.327 38.750 39.000 0.129 0.000 0.997 60 F HN 0.093 nan 8.300 nan 0.000 0.479 61 Q N 0.176 120.135 119.800 0.264 0.000 2.050 61 Q HA -0.241 4.100 4.340 0.002 0.000 0.202 61 Q C 2.400 178.430 176.000 0.050 0.000 0.980 61 Q CA 1.614 57.492 55.803 0.125 0.000 0.840 61 Q CB -0.157 28.620 28.738 0.064 0.000 0.898 61 Q HN 0.251 nan 8.270 nan 0.000 0.424 62 R N -0.538 119.995 120.500 0.054 0.000 2.152 62 R HA -0.080 4.261 4.340 0.002 0.000 0.232 62 R C 1.562 177.858 176.300 -0.008 0.000 1.117 62 R CA 1.182 57.285 56.100 0.005 0.000 0.981 62 R CB -0.144 30.163 30.300 0.011 0.000 0.870 62 R HN 0.273 nan 8.270 nan 0.000 0.451 63 A N -0.967 121.851 122.820 -0.003 0.000 2.278 63 A HA 0.266 4.587 4.320 0.002 0.000 0.212 63 A C 1.256 178.688 177.584 -0.253 0.000 1.213 63 A CA 0.642 52.636 52.037 -0.071 0.000 0.840 63 A CB -0.038 18.941 19.000 -0.034 0.000 0.866 63 A HN 0.532 nan 8.150 nan 0.000 0.489 64 G N -1.578 107.093 108.800 -0.216 0.000 2.195 64 G HA2 -0.174 3.787 3.960 0.002 0.000 0.224 64 G HA3 -0.174 3.787 3.960 0.002 0.000 0.224 64 G C 0.188 174.924 174.900 -0.272 0.000 0.990 64 G CA 0.164 45.098 45.100 -0.276 0.000 0.639 64 G HN 0.636 nan 8.290 nan 0.000 0.514 65 H N -0.138 119.000 119.070 0.112 0.000 2.500 65 H HA 0.608 5.166 4.556 0.002 0.000 0.351 65 H C 0.475 175.861 175.328 0.097 0.000 1.281 65 H CA -0.212 55.917 56.048 0.135 0.000 1.368 65 H CB 0.943 30.854 29.762 0.249 0.000 1.616 65 H HN 0.306 nan 8.280 nan 0.000 0.591 66 R N 2.197 122.822 120.500 0.209 0.000 2.246 66 R HA 0.263 4.604 4.340 0.002 0.000 0.332 66 R C -2.761 173.575 176.300 0.060 0.000 0.974 66 R CA -1.714 54.443 56.100 0.094 0.000 0.837 66 R CB 0.775 31.111 30.300 0.061 0.000 1.145 66 R HN 0.357 nan 8.270 nan 0.000 0.467 67 P HA 0.237 nan 4.420 nan 0.000 0.282 67 P C -0.753 176.544 177.300 -0.005 0.000 1.249 67 P CA -0.241 62.862 63.100 0.004 0.000 0.806 67 P CB 1.430 33.131 31.700 0.002 0.000 0.984 68 I N 1.993 122.585 120.570 0.038 0.000 2.447 68 I HA 0.246 4.417 4.170 0.002 0.000 0.287 68 I C -0.290 175.915 176.117 0.147 0.000 1.023 68 I CA -1.194 60.152 61.300 0.077 0.000 1.083 68 I CB 2.367 40.411 38.000 0.075 0.000 1.245 68 I HN -0.034 nan 8.210 nan 0.000 0.434 69 V N 6.876 126.892 119.914 0.169 0.000 2.364 69 V HA 0.219 4.340 4.120 0.002 0.000 0.272 69 V C -0.158 176.102 176.094 0.278 0.000 1.036 69 V CA -0.515 61.924 62.300 0.232 0.000 0.880 69 V CB 1.408 33.362 31.823 0.219 0.000 0.991 69 V HN 0.391 nan 8.190 nan 0.000 0.460 70 L N 6.205 127.606 121.223 0.296 0.000 2.259 70 L HA 0.700 5.041 4.340 0.002 0.000 0.288 70 L C 0.631 177.539 176.870 0.063 0.000 1.051 70 L CA -0.188 54.765 54.840 0.188 0.000 0.824 70 L CB 0.718 42.897 42.059 0.199 0.000 1.206 70 L HN 0.688 nan 8.230 nan 0.000 0.429 71 A N 3.983 126.750 122.820 -0.089 0.000 2.444 71 A HA 0.500 4.821 4.320 0.002 0.000 0.273 71 A C 0.933 178.306 177.584 -0.350 0.000 1.136 71 A CA 0.151 51.883 52.037 -0.510 0.000 0.799 71 A CB -0.181 18.613 19.000 -0.342 0.000 1.081 71 A HN 0.972 nan 8.150 nan 0.000 0.509 72 G N 2.378 110.956 108.800 -0.371 0.000 3.316 72 G HA2 0.357 4.318 3.960 0.002 0.000 0.255 72 G HA3 0.357 4.318 3.960 0.002 0.000 0.255 72 G C 0.981 175.733 174.900 -0.246 0.000 0.880 72 G CA 0.336 45.298 45.100 -0.230 0.000 1.956 72 G HN 1.051 nan 8.290 nan 0.000 0.634 73 G N 1.237 109.881 108.800 -0.260 0.000 2.450 73 G HA2 -0.054 3.907 3.960 0.002 0.000 0.220 73 G HA3 -0.054 3.907 3.960 0.002 0.000 0.220 73 G C 1.914 176.689 174.900 -0.207 0.000 1.130 73 G CA 1.284 46.239 45.100 -0.240 0.000 0.760 73 G HN 0.676 nan 8.290 nan 0.000 0.557 74 A N 0.799 123.499 122.820 -0.198 0.000 1.908 74 A HA -0.085 4.236 4.320 0.002 0.000 0.218 74 A C 2.600 180.107 177.584 -0.129 0.000 1.181 74 A CA 2.654 54.600 52.037 -0.153 0.000 0.627 74 A CB -1.048 17.874 19.000 -0.129 0.000 0.818 74 A HN 0.370 nan 8.150 nan 0.000 0.445 75 T N -0.610 113.837 114.554 -0.179 0.000 2.746 75 T HA -0.022 4.329 4.350 0.002 0.000 0.267 75 T C 1.976 176.559 174.700 -0.195 0.000 1.039 75 T CA 1.340 63.276 62.100 -0.274 0.000 1.142 75 T CB -0.881 67.734 68.868 -0.421 0.000 0.866 75 T HN 0.530 nan 8.240 nan 0.000 0.444 76 G N 1.019 109.720 108.800 -0.166 0.000 2.418 76 G HA2 -0.176 3.785 3.960 0.002 0.000 0.217 76 G HA3 -0.176 3.785 3.960 0.002 0.000 0.217 76 G C 1.580 176.423 174.900 -0.095 0.000 1.158 76 G CA 0.912 45.937 45.100 -0.124 0.000 0.771 76 G HN 0.457 nan 8.290 nan 0.000 0.545 77 M N -0.191 119.346 119.600 -0.105 0.000 2.132 77 M HA 0.141 4.622 4.480 0.002 0.000 0.263 77 M C 2.329 178.604 176.300 -0.042 0.000 1.065 77 M CA 1.273 56.522 55.300 -0.084 0.000 1.122 77 M CB -0.133 32.405 32.600 -0.103 0.000 1.365 77 M HN 0.208 nan 8.290 nan 0.000 0.411 78 I N 0.053 120.615 120.570 -0.014 0.000 2.439 78 I HA -0.051 4.120 4.170 0.002 0.000 0.251 78 I C 1.578 177.745 176.117 0.083 0.000 1.139 78 I CA 0.447 61.776 61.300 0.048 0.000 1.438 78 I CB -0.801 37.272 38.000 0.122 0.000 1.085 78 I HN 0.344 nan 8.210 nan 0.000 0.427 95 V N 0.737 120.666 119.914 0.025 0.000 2.788 95 V HA 0.236 4.358 4.120 0.002 0.000 0.251 95 V C 2.996 179.173 176.094 0.138 0.000 1.068 95 V CA 1.742 64.062 62.300 0.035 0.000 1.090 95 V CB -0.466 31.321 31.823 -0.061 0.000 0.710 95 V HN 0.776 nan 8.190 nan 0.000 0.467 96 A N 0.233 123.108 122.820 0.091 0.000 1.873 96 A HA -0.212 4.109 4.320 0.002 0.000 0.215 96 A C 2.120 179.767 177.584 0.106 0.000 1.186 96 A CA 1.733 53.822 52.037 0.088 0.000 0.616 96 A CB -0.436 18.591 19.000 0.044 0.000 0.823 96 A HN 0.568 nan 8.150 nan 0.000 0.442 97 E N -1.559 118.699 120.200 0.096 0.000 2.130 97 E HA -0.275 4.076 4.350 0.002 0.000 0.196 97 E C 1.744 178.412 176.600 0.113 0.000 0.998 97 E CA 1.496 57.944 56.400 0.080 0.000 0.806 97 E CB -0.274 29.465 29.700 0.066 0.000 0.738 97 E HN 0.858 nan 8.360 nan 0.000 0.459 98 W N 1.567 122.854 121.300 -0.023 0.000 2.355 98 W HA -0.187 4.474 4.660 0.002 0.000 0.309 98 W C 2.209 178.722 176.519 -0.010 0.000 1.206 98 W CA 2.103 59.438 57.345 -0.017 0.000 1.284 98 W CB -0.333 29.118 29.460 -0.016 0.000 1.145 98 W HN -0.090 nan 8.180 nan 0.000 0.502 99 T N 0.730 115.452 114.554 0.280 0.000 2.652 99 T HA -0.269 4.082 4.350 0.002 0.000 0.267 99 T C 1.948 176.583 174.700 -0.108 0.000 1.039 99 T CA 2.727 64.873 62.100 0.078 0.000 1.153 99 T CB -1.180 67.788 68.868 0.166 0.000 0.863 99 T HN 0.430 nan 8.240 nan 0.000 0.428 100 E N 1.962 122.133 120.200 -0.049 0.000 2.058 100 E HA -0.217 4.134 4.350 0.002 0.000 0.194 100 E C 2.048 178.578 176.600 -0.117 0.000 0.997 100 E CA 1.837 58.194 56.400 -0.072 0.000 0.801 100 E CB -0.713 28.966 29.700 -0.033 0.000 0.746 100 E HN 0.623 nan 8.360 nan 0.000 0.450 101 R N -0.498 119.920 120.500 -0.138 0.000 2.075 101 R HA -0.068 4.273 4.340 0.002 0.000 0.230 101 R C 2.437 178.585 176.300 -0.253 0.000 1.140 101 R CA 1.743 57.742 56.100 -0.168 0.000 0.928 101 R CB -0.374 29.830 30.300 -0.159 0.000 0.834 101 R HN 0.397 nan 8.270 nan 0.000 0.429 102 I N 0.980 121.285 120.570 -0.443 0.000 2.142 102 I HA -0.254 3.917 4.170 0.002 0.000 0.240 102 I C 2.694 178.596 176.117 -0.359 0.000 1.078 102 I CA 1.395 62.378 61.300 -0.530 0.000 1.343 102 I CB -1.035 36.359 38.000 -1.010 0.000 1.046 102 I HN 0.377 nan 8.210 nan 0.000 0.405 103 R N 0.966 121.273 120.500 -0.321 0.000 2.091 103 R HA -0.174 4.167 4.340 0.002 0.000 0.238 103 R C 2.335 178.531 176.300 -0.174 0.000 1.136 103 R CA 1.896 57.852 56.100 -0.240 0.000 0.959 103 R CB -0.591 29.568 30.300 -0.236 0.000 0.856 103 R HN 0.398 nan 8.270 nan 0.000 0.437 104 G N 0.173 108.882 108.800 -0.151 0.000 2.442 104 G HA2 -0.296 3.665 3.960 0.002 0.000 0.219 104 G HA3 -0.296 3.665 3.960 0.002 0.000 0.219 104 G C 1.242 176.107 174.900 -0.058 0.000 1.141 104 G CA 0.706 45.751 45.100 -0.093 0.000 0.763 104 G HN 0.444 nan 8.290 nan 0.000 0.554 105 Q N -0.358 119.392 119.800 -0.083 0.000 2.046 105 Q HA 0.097 4.438 4.340 0.002 0.000 0.200 105 Q C 2.657 178.724 176.000 0.112 0.000 0.975 105 Q CA 0.787 56.574 55.803 -0.026 0.000 0.836 105 Q CB -0.261 28.430 28.738 -0.078 0.000 0.896 105 Q HN 0.423 nan 8.270 nan 0.000 0.428 106 L N 0.847 122.106 121.223 0.061 0.000 2.127 106 L HA -0.218 4.123 4.340 0.002 0.000 0.211 106 L C 2.001 179.098 176.870 0.379 0.000 1.089 106 L CA 1.142 56.102 54.840 0.200 0.000 0.757 106 L CB -0.288 41.864 42.059 0.155 0.000 0.899 106 L HN 0.251 nan 8.230 nan 0.000 0.434 107 E N -0.542 119.857 120.200 0.332 0.000 2.333 107 E HA -0.165 4.186 4.350 0.002 0.000 0.198 107 E C 2.132 178.814 176.600 0.137 0.000 1.007 107 E CA 0.335 56.942 56.400 0.344 0.000 0.845 107 E CB 0.137 29.957 29.700 0.200 0.000 0.766 107 E HN 0.333 nan 8.360 nan 0.000 0.507 108 R N -0.429 120.106 120.500 0.059 0.000 2.115 108 R HA -0.043 4.298 4.340 0.002 0.000 0.226 108 R C 1.562 177.724 176.300 -0.230 0.000 1.100 108 R CA 0.939 56.950 56.100 -0.148 0.000 0.980 108 R CB -0.345 29.754 30.300 -0.335 0.000 0.875 108 R HN 0.251 nan 8.270 nan 0.000 0.445 109 F N -0.794 119.151 119.950 -0.007 0.000 2.656 109 F HA 0.201 4.729 4.527 0.002 0.000 0.291 109 F C 0.592 176.376 175.800 -0.027 0.000 1.122 109 F CA 0.060 58.063 58.000 0.006 0.000 1.427 109 F CB 0.736 39.741 39.000 0.008 0.000 1.125 109 F HN -0.347 nan 8.300 nan 0.000 0.583 110 V N 0.105 120.062 119.914 0.071 0.000 2.817 110 V HA 0.209 4.330 4.120 0.002 0.000 0.303 110 V C -1.407 174.487 176.094 -0.334 0.000 1.151 110 V CA -1.097 61.125 62.300 -0.129 0.000 0.929 110 V CB 2.211 33.919 31.823 -0.191 0.000 1.030 110 V HN -0.198 nan 8.190 nan 0.000 0.427 111 D N 4.193 124.421 120.400 -0.286 0.000 2.316 111 D HA 0.375 5.016 4.640 0.002 0.000 0.245 111 D C -0.623 175.476 176.300 -0.335 0.000 1.171 111 D CA 0.265 54.134 54.000 -0.217 0.000 0.856 111 D CB 0.896 41.637 40.800 -0.097 0.000 1.090 111 D HN 0.224 nan 8.370 nan 0.000 0.476 112 F N 2.638 122.595 119.950 0.011 0.000 2.411 112 F HA 0.267 4.795 4.527 0.001 0.000 0.355 112 F C 0.455 176.258 175.800 0.006 0.000 1.117 112 F CA -0.604 57.401 58.000 0.009 0.000 1.139 112 F CB 0.769 39.773 39.000 0.006 0.000 1.120 112 F HN 0.182 nan 8.300 nan 0.000 0.493 113 D N -0.316 120.173 120.400 0.149 0.000 2.720 113 D HA 0.200 4.841 4.640 0.002 0.000 0.239 113 D C -1.984 174.360 176.300 0.072 0.000 1.218 113 D CA -0.948 53.109 54.000 0.095 0.000 0.748 113 D CB 0.641 41.475 40.800 0.056 0.000 1.387 113 D HN 0.106 nan 8.370 nan 0.000 0.438 114 D N 0.275 120.711 120.400 0.060 0.000 2.371 114 D HA 0.494 5.135 4.640 0.002 0.000 0.256 114 D C -0.420 175.902 176.300 0.037 0.000 1.193 114 D CA 0.913 54.942 54.000 0.049 0.000 0.881 114 D CB 0.620 41.446 40.800 0.043 0.000 1.143 114 D HN 0.556 nan 8.370 nan 0.000 0.473 115 S N 2.274 117.994 115.700 0.035 0.000 2.769 115 S HA 0.133 4.604 4.470 0.002 0.000 0.283 115 S C -2.367 172.249 174.600 0.027 0.000 0.936 115 S CA -0.922 57.294 58.200 0.026 0.000 0.893 115 S CB 0.639 63.851 63.200 0.019 0.000 1.125 115 S HN 0.140 nan 8.310 nan 0.000 0.464 116 P HA 0.080 nan 4.420 nan 0.000 0.217 116 P C 1.126 178.442 177.300 0.027 0.000 1.151 116 P CA 1.157 64.275 63.100 0.030 0.000 0.828 116 P CB -0.205 31.513 31.700 0.030 0.000 0.788 117 M N -0.410 119.199 119.600 0.016 0.000 2.563 117 M HA 0.225 4.706 4.480 0.002 0.000 0.231 117 M C 1.064 177.357 176.300 -0.012 0.000 1.136 117 M CA -0.049 55.257 55.300 0.010 0.000 1.026 117 M CB -0.319 32.281 32.600 -0.000 0.000 1.597 117 M HN -0.198 nan 8.290 nan 0.000 0.495 118 G N 1.263 110.060 108.800 -0.005 0.000 2.313 118 G HA2 0.457 4.418 3.960 0.002 0.000 0.250 118 G HA3 0.457 4.418 3.960 0.002 0.000 0.250 118 G C 0.151 175.030 174.900 -0.035 0.000 1.281 118 G CA -0.471 44.623 45.100 -0.010 0.000 0.917 118 G HN 0.484 nan 8.290 nan 0.000 0.501 119 A N 2.232 124.969 122.820 -0.138 0.000 2.466 119 A HA 0.549 4.870 4.320 0.002 0.000 0.238 119 A C 0.244 177.871 177.584 0.072 0.000 1.074 119 A CA 0.124 52.041 52.037 -0.200 0.000 0.774 119 A CB 0.233 18.776 19.000 -0.763 0.000 1.015 119 A HN 0.702 nan 8.150 nan 0.000 0.498 120 I N 0.999 121.627 120.570 0.097 0.000 2.545 120 I HA 0.360 4.531 4.170 0.002 0.000 0.292 120 I C -0.900 175.362 176.117 0.241 0.000 1.040 120 I CA -0.724 60.672 61.300 0.160 0.000 1.068 120 I CB 2.313 40.282 38.000 -0.050 0.000 1.251 120 I HN 0.268 nan 8.210 nan 0.000 0.424 121 V N 5.648 125.724 119.914 0.269 0.000 2.313 121 V HA 0.366 4.487 4.120 0.002 0.000 0.278 121 V C -0.044 176.132 176.094 0.137 0.000 1.017 121 V CA -0.548 61.885 62.300 0.220 0.000 0.823 121 V CB 1.145 33.088 31.823 0.201 0.000 1.010 121 V HN 0.672 nan 8.190 nan 0.000 0.443 122 E N 3.166 123.442 120.200 0.127 0.000 2.232 122 E HA 0.408 4.759 4.350 0.002 0.000 0.264 122 E C -0.781 175.810 176.600 -0.015 0.000 0.973 122 E CA -0.832 55.611 56.400 0.071 0.000 0.849 122 E CB 2.222 32.005 29.700 0.138 0.000 1.198 122 E HN 0.515 nan 8.360 nan 0.000 0.407 123 N N 1.894 120.514 118.700 -0.133 0.000 2.392 123 N HA 0.027 4.768 4.740 0.002 0.000 0.283 123 N C 0.230 175.409 175.510 -0.552 0.000 1.003 123 N CA -0.271 52.629 53.050 -0.250 0.000 0.892 123 N CB 0.890 39.262 38.487 -0.192 0.000 1.193 123 N HN 0.462 nan 8.380 nan 0.000 0.487 124 N N 4.421 122.743 118.700 -0.630 0.000 2.609 124 N HA -0.100 4.641 4.740 0.002 0.000 0.190 124 N C 1.204 176.026 175.510 -1.146 0.000 1.157 124 N CA 0.497 52.830 53.050 -1.196 0.000 0.918 124 N CB -0.221 38.013 38.487 -0.422 0.000 0.978 124 N HN 0.595 nan 8.380 nan 0.000 0.448 125 L N -0.095 120.730 121.223 -0.664 0.000 2.362 125 L HA 0.036 4.377 4.340 0.002 0.000 0.219 125 L C 2.283 178.893 176.870 -0.433 0.000 1.134 125 L CA 0.704 55.274 54.840 -0.449 0.000 0.807 125 L CB -0.298 41.593 42.059 -0.281 0.000 0.927 125 L HN 0.155 nan 8.230 nan 0.000 0.447 126 E N -0.178 119.691 120.200 -0.552 0.000 2.472 126 E HA -0.185 4.166 4.350 0.002 0.000 0.200 126 E C 1.371 177.937 176.600 -0.058 0.000 1.046 126 E CA 1.112 57.349 56.400 -0.270 0.000 0.871 126 E CB 0.188 29.784 29.700 -0.174 0.000 0.806 126 E HN 0.738 nan 8.360 nan 0.000 0.533 127 W N -2.694 118.595 121.300 -0.019 0.000 3.520 127 W HA 0.215 4.876 4.660 0.001 0.000 0.223 127 W C 1.771 178.282 176.519 -0.013 0.000 1.110 127 W CA 0.355 57.693 57.345 -0.013 0.000 1.552 127 W CB -0.468 28.987 29.460 -0.009 0.000 0.775 127 W HN -0.271 nan 8.180 nan 0.000 0.794 128 T N 1.140 115.664 114.554 -0.051 0.000 2.904 128 T HA 0.005 4.356 4.350 0.002 0.000 0.267 128 T C 2.064 176.734 174.700 -0.050 0.000 1.059 128 T CA 1.670 63.772 62.100 0.005 0.000 1.137 128 T CB -0.853 67.963 68.868 -0.086 0.000 0.879 128 T HN 0.393 nan 8.240 nan 0.000 0.467 129 G N 1.696 110.434 108.800 -0.104 0.000 2.442 129 G HA2 -0.209 3.752 3.960 0.002 0.000 0.219 129 G HA3 -0.209 3.752 3.960 0.002 0.000 0.219 129 G C 1.714 176.593 174.900 -0.035 0.000 1.141 129 G CA 1.337 46.388 45.100 -0.082 0.000 0.763 129 G HN 0.645 nan 8.290 nan 0.000 0.554 130 S N -0.935 114.765 115.700 -0.000 0.000 2.540 130 S HA 0.348 4.819 4.470 0.002 0.000 0.218 130 S C 0.684 175.312 174.600 0.045 0.000 0.977 130 S CA -0.551 57.662 58.200 0.022 0.000 0.918 130 S CB 0.104 63.324 63.200 0.033 0.000 0.806 130 S HN 0.140 nan 8.310 nan 0.000 0.496 131 L N 4.356 125.615 121.223 0.059 0.000 2.462 131 L HA 0.407 4.748 4.340 0.002 0.000 0.272 131 L C 0.231 177.135 176.870 0.056 0.000 1.166 131 L CA 0.042 54.931 54.840 0.082 0.000 0.880 131 L CB 0.555 42.678 42.059 0.107 0.000 1.142 131 L HN 0.407 nan 8.230 nan 0.000 0.473 132 S N 3.865 119.613 115.700 0.081 0.000 2.616 132 S HA 0.638 5.109 4.470 0.002 0.000 0.277 132 S C 1.289 175.967 174.600 0.130 0.000 1.234 132 S CA -0.333 57.913 58.200 0.077 0.000 1.028 132 S CB 1.423 64.664 63.200 0.067 0.000 0.988 132 S HN 0.968 nan 8.310 nan 0.000 0.522 133 A N 2.674 125.564 122.820 0.117 0.000 1.940 133 A HA -0.126 4.195 4.320 0.002 0.000 0.221 133 A C 1.934 179.645 177.584 0.211 0.000 1.190 133 A CA 1.933 54.084 52.037 0.191 0.000 0.647 133 A CB -1.190 17.885 19.000 0.125 0.000 0.821 133 A HN 0.902 nan 8.150 nan 0.000 0.457 134 I N -1.054 119.593 120.570 0.128 0.000 2.163 134 I HA -0.254 3.917 4.170 0.002 0.000 0.240 134 I C 2.555 178.733 176.117 0.101 0.000 1.081 134 I CA 1.706 63.062 61.300 0.093 0.000 1.353 134 I CB -0.597 37.439 38.000 0.060 0.000 1.054 134 I HN 0.429 nan 8.210 nan 0.000 0.407 135 E N 0.592 120.863 120.200 0.117 0.000 2.065 135 E HA -0.295 4.056 4.350 0.002 0.000 0.201 135 E C 2.037 178.739 176.600 0.169 0.000 1.016 135 E CA 1.970 58.444 56.400 0.123 0.000 0.818 135 E CB -0.311 29.465 29.700 0.126 0.000 0.749 135 E HN 0.361 nan 8.360 nan 0.000 0.453 136 F N 1.458 121.441 119.950 0.054 0.000 2.027 136 F HA -0.261 4.267 4.527 0.002 0.000 0.297 136 F C 1.944 177.779 175.800 0.058 0.000 1.129 136 F CA 1.700 59.736 58.000 0.059 0.000 1.195 136 F CB -0.562 38.471 39.000 0.055 0.000 0.960 136 F HN -0.063 nan 8.300 nan 0.000 0.485 137 L N -0.300 120.832 121.223 -0.152 0.000 2.141 137 L HA -0.166 4.175 4.340 0.002 0.000 0.209 137 L C 2.737 179.522 176.870 -0.142 0.000 1.094 137 L CA 1.576 56.259 54.840 -0.262 0.000 0.763 137 L CB -0.707 41.303 42.059 -0.081 0.000 0.908 137 L HN 0.182 nan 8.230 nan 0.000 0.437 138 R N 0.194 120.663 120.500 -0.052 0.000 2.052 138 R HA -0.122 4.219 4.340 0.002 0.000 0.226 138 R C 1.804 178.082 176.300 -0.037 0.000 1.145 138 R CA 1.729 57.807 56.100 -0.037 0.000 0.952 138 R CB 0.010 30.310 30.300 -0.001 0.000 0.847 138 R HN 0.263 nan 8.270 nan 0.000 0.431 139 D N -0.229 120.180 120.400 0.015 0.000 2.183 139 D HA -0.020 4.621 4.640 0.002 0.000 0.205 139 D C 1.891 178.273 176.300 0.137 0.000 0.962 139 D CA 1.098 55.138 54.000 0.067 0.000 0.849 139 D CB 0.268 41.120 40.800 0.086 0.000 0.978 139 D HN 0.344 nan 8.370 nan 0.000 0.488 140 I N 0.163 120.793 120.570 0.099 0.000 2.947 140 I HA 0.092 4.263 4.170 0.002 0.000 0.263 140 I C 2.435 178.641 176.117 0.148 0.000 1.130 140 I CA 0.504 61.917 61.300 0.188 0.000 1.448 140 I CB -0.185 37.914 38.000 0.165 0.000 1.222 140 I HN -0.087 nan 8.210 nan 0.000 0.453 141 G N 1.249 109.950 108.800 -0.166 0.000 2.448 141 G HA2 -0.195 3.766 3.960 0.002 0.000 0.219 141 G HA3 -0.195 3.766 3.960 0.002 0.000 0.219 141 G C 1.647 176.546 174.900 -0.002 0.000 1.127 141 G CA 0.518 45.499 45.100 -0.198 0.000 0.766 141 G HN 0.260 nan 8.290 nan 0.000 0.552 142 K N -0.287 120.063 120.400 -0.083 0.000 2.283 142 K HA -0.033 4.288 4.320 0.002 0.000 0.202 142 K C 1.517 178.004 176.600 -0.188 0.000 1.048 142 K CA 0.608 56.793 56.287 -0.170 0.000 0.948 142 K CB -0.075 32.247 32.500 -0.297 0.000 0.742 142 K HN 0.374 nan 8.250 nan 0.000 0.458 143 H N -0.978 118.111 119.070 0.031 0.000 2.536 143 H HA 0.088 4.645 4.556 0.002 0.000 0.276 143 H C -0.542 174.561 175.328 -0.375 0.000 1.019 143 H CA 0.371 56.324 56.048 -0.159 0.000 1.159 143 H CB -0.049 29.564 29.762 -0.248 0.000 1.373 143 H HN -0.033 nan 8.280 nan 0.000 0.584 144 F N 0.527 120.477 119.950 0.001 0.000 2.493 144 F HA 0.213 4.741 4.527 0.002 0.000 0.329 144 F C 0.557 176.345 175.800 -0.021 0.000 1.126 144 F CA -0.924 57.063 58.000 -0.022 0.000 0.937 144 F CB 1.766 40.727 39.000 -0.065 0.000 1.146 144 F HN -0.214 nan 8.300 nan 0.000 0.442 145 S N 2.539 118.312 115.700 0.122 0.000 2.465 145 S HA 0.304 4.775 4.470 0.002 0.000 0.279 145 S C 0.910 175.594 174.600 0.139 0.000 1.201 145 S CA -0.663 57.596 58.200 0.098 0.000 1.053 145 S CB 0.948 64.179 63.200 0.053 0.000 0.953 145 S HN 0.479 nan 8.310 nan 0.000 0.488 146 V N 5.649 125.651 119.914 0.146 0.000 2.287 146 V HA -0.185 3.936 4.120 0.002 0.000 0.248 146 V C 2.506 178.707 176.094 0.179 0.000 1.053 146 V CA 2.078 64.500 62.300 0.204 0.000 1.027 146 V CB -0.970 30.965 31.823 0.185 0.000 0.646 146 V HN 0.826 nan 8.190 nan 0.000 0.447 147 N N 0.259 119.029 118.700 0.116 0.000 2.037 147 N HA -0.179 4.562 4.740 0.002 0.000 0.196 147 N C 1.795 177.362 175.510 0.094 0.000 1.034 147 N CA 1.804 54.908 53.050 0.090 0.000 0.861 147 N CB -0.640 37.883 38.487 0.060 0.000 1.039 147 N HN 0.367 nan 8.380 nan 0.000 0.427 148 V N 1.616 121.583 119.914 0.088 0.000 2.295 148 V HA -0.219 3.902 4.120 0.002 0.000 0.246 148 V C 2.410 178.564 176.094 0.101 0.000 1.049 148 V CA 1.487 63.834 62.300 0.078 0.000 1.024 148 V CB -0.416 31.441 31.823 0.056 0.000 0.648 148 V HN 0.289 nan 8.190 nan 0.000 0.447 149 M N -0.878 118.800 119.600 0.130 0.000 2.117 149 M HA -0.163 4.318 4.480 0.002 0.000 0.262 149 M C 2.148 178.566 176.300 0.197 0.000 1.065 149 M CA 1.882 57.255 55.300 0.122 0.000 1.114 149 M CB -0.445 32.173 32.600 0.030 0.000 1.361 149 M HN 0.263 nan 8.290 nan 0.000 0.408 150 L N -0.422 120.942 121.223 0.235 0.000 2.131 150 L HA -0.168 4.173 4.340 0.002 0.000 0.210 150 L C 2.794 179.739 176.870 0.125 0.000 1.092 150 L CA 0.984 55.940 54.840 0.194 0.000 0.759 150 L CB -0.865 41.273 42.059 0.131 0.000 0.903 150 L HN 0.300 nan 8.230 nan 0.000 0.435 151 A N 0.065 122.948 122.820 0.104 0.000 1.877 151 A HA -0.131 4.190 4.320 0.002 0.000 0.216 151 A C 1.222 178.855 177.584 0.081 0.000 1.186 151 A CA 0.524 52.609 52.037 0.079 0.000 0.620 151 A CB -0.464 18.577 19.000 0.068 0.000 0.822 151 A HN 0.294 nan 8.150 nan 0.000 0.443 152 R N 0.632 121.185 120.500 0.089 0.000 2.526 152 R HA -0.059 4.282 4.340 0.002 0.000 0.319 152 R C -0.233 176.120 176.300 0.088 0.000 0.888 152 R CA 0.485 56.637 56.100 0.087 0.000 1.127 152 R CB -0.032 30.319 30.300 0.084 0.000 0.888 152 R HN 0.442 nan 8.270 nan 0.000 0.410 153 D N 1.091 121.540 120.400 0.082 0.000 2.317 153 D HA -0.068 4.573 4.640 0.002 0.000 0.211 153 D C 1.088 177.434 176.300 0.076 0.000 0.966 153 D CA 1.080 55.124 54.000 0.074 0.000 0.876 153 D CB 0.422 41.261 40.800 0.065 0.000 0.927 153 D HN 0.526 nan 8.370 nan 0.000 0.519 154 T N 0.004 114.608 114.554 0.083 0.000 2.684 154 T HA -0.148 4.203 4.350 0.002 0.000 0.267 154 T C 2.041 176.794 174.700 0.088 0.000 1.036 154 T CA 0.771 62.920 62.100 0.083 0.000 1.148 154 T CB -0.131 68.789 68.868 0.087 0.000 0.863 154 T HN 0.198 nan 8.240 nan 0.000 0.436 155 I N 0.306 120.937 120.570 0.101 0.000 2.233 155 I HA -0.087 4.084 4.170 0.002 0.000 0.243 155 I C 2.990 179.168 176.117 0.102 0.000 1.093 155 I CA 0.808 62.182 61.300 0.125 0.000 1.380 155 I CB -0.347 37.761 38.000 0.179 0.000 1.067 155 I HN 0.087 nan 8.210 nan 0.000 0.413 156 R N 1.419 121.973 120.500 0.090 0.000 2.113 156 R HA -0.215 4.126 4.340 0.002 0.000 0.244 156 R C 2.354 178.686 176.300 0.054 0.000 1.142 156 R CA 1.888 58.029 56.100 0.069 0.000 0.953 156 R CB -0.303 30.035 30.300 0.063 0.000 0.860 156 R HN 0.317 nan 8.270 nan 0.000 0.438 157 R N -0.471 120.062 120.500 0.055 0.000 2.073 157 R HA -0.044 4.297 4.340 0.002 0.000 0.229 157 R C 2.437 178.765 176.300 0.046 0.000 1.120 157 R CA 1.245 57.373 56.100 0.047 0.000 0.967 157 R CB -0.183 30.145 30.300 0.047 0.000 0.862 157 R HN 0.129 nan 8.270 nan 0.000 0.436 158 R N 0.265 120.799 120.500 0.056 0.000 2.280 158 R HA -0.032 4.309 4.340 0.002 0.000 0.207 158 R C 1.001 177.328 176.300 0.045 0.000 1.043 158 R CA 0.438 56.571 56.100 0.055 0.000 1.006 158 R CB 0.131 30.474 30.300 0.072 0.000 0.885 158 R HN 0.038 nan 8.270 nan 0.000 0.467 159 L N 0.164 121.410 121.223 0.039 0.000 2.653 159 L HA 0.379 4.720 4.340 0.002 0.000 0.231 159 L C -0.300 176.574 176.870 0.006 0.000 1.153 159 L CA -0.024 54.825 54.840 0.014 0.000 0.933 159 L CB 0.149 42.213 42.059 0.007 0.000 1.175 159 L HN 0.017 nan 8.230 nan 0.000 0.473 160 A N -1.151 121.679 122.820 0.016 0.000 2.301 160 A HA 0.698 5.019 4.320 0.002 0.000 0.298 160 A C 0.933 178.523 177.584 0.011 0.000 1.185 160 A CA 0.356 52.400 52.037 0.013 0.000 0.830 160 A CB 0.107 19.117 19.000 0.018 0.000 1.112 160 A HN 0.639 nan 8.150 nan 0.000 0.508 161 G N 2.475 111.279 108.800 0.006 0.000 2.513 161 G HA2 -0.211 3.750 3.960 0.002 0.000 0.227 161 G HA3 -0.211 3.750 3.960 0.002 0.000 0.227 161 G C 0.581 175.482 174.900 0.002 0.000 1.176 161 G CA 0.510 45.614 45.100 0.006 0.000 0.967 161 G HN 0.721 nan 8.290 nan 0.000 0.587 162 E N 0.943 121.147 120.200 0.005 0.000 2.086 162 E HA 0.226 4.577 4.350 0.002 0.000 0.200 162 E C 2.079 178.678 176.600 -0.002 0.000 1.012 162 E CA 2.849 59.251 56.400 0.003 0.000 0.812 162 E CB -0.528 29.178 29.700 0.009 0.000 0.743 162 E HN 2.192 nan 8.360 nan 0.000 0.453 163 G N 0.003 108.805 108.800 0.003 0.000 2.509 163 G HA2 -0.267 3.694 3.960 0.002 0.000 0.259 163 G HA3 -0.267 3.694 3.960 0.002 0.000 0.259 163 G C -0.408 174.495 174.900 0.004 0.000 1.169 163 G CA -0.133 44.966 45.100 -0.002 0.000 0.953 163 G HN 0.189 nan 8.290 nan 0.000 0.563 164 I N 0.816 121.379 120.570 -0.012 0.000 2.828 164 I HA 0.624 4.795 4.170 0.002 0.000 0.302 164 I C 0.899 177.013 176.117 -0.005 0.000 1.101 164 I CA 0.183 61.485 61.300 0.005 0.000 1.031 164 I CB 2.010 40.027 38.000 0.027 0.000 1.231 164 I HN 1.212 nan 8.210 nan 0.000 0.427 165 S N 4.575 120.287 115.700 0.019 0.000 2.593 165 S HA 0.087 4.558 4.470 0.002 0.000 0.269 165 S C 1.115 175.754 174.600 0.064 0.000 1.334 165 S CA 0.044 58.268 58.200 0.040 0.000 1.015 165 S CB 0.291 63.516 63.200 0.041 0.000 0.912 165 S HN 0.633 nan 8.310 nan 0.000 0.541 166 Y N 2.558 122.848 120.300 -0.017 0.000 2.193 166 Y HA -0.161 4.390 4.550 0.002 0.000 0.285 166 Y C 2.432 178.339 175.900 0.012 0.000 1.166 166 Y CA 2.470 60.592 58.100 0.037 0.000 1.181 166 Y CB -0.987 37.490 38.460 0.029 0.000 0.976 166 Y HN 0.837 nan 8.280 nan 0.000 0.520 167 T N 0.044 114.615 114.554 0.027 0.000 2.674 167 T HA -0.208 4.143 4.350 0.002 0.000 0.265 167 T C 1.603 175.904 174.700 -0.666 0.000 1.039 167 T CA 1.828 63.797 62.100 -0.218 0.000 1.150 167 T CB -0.296 68.502 68.868 -0.116 0.000 0.864 167 T HN 0.435 nan 8.240 nan 0.000 0.427 168 E N 0.160 120.068 120.200 -0.487 0.000 2.160 168 E HA -0.114 4.237 4.350 0.002 0.000 0.195 168 E C 1.739 178.165 176.600 -0.290 0.000 0.991 168 E CA 0.838 56.947 56.400 -0.486 0.000 0.810 168 E CB -0.242 29.433 29.700 -0.043 0.000 0.742 168 E HN 0.412 nan 8.360 nan 0.000 0.466 169 F N 0.485 120.229 119.950 -0.344 0.000 2.502 169 F HA -0.054 4.474 4.527 0.002 0.000 0.298 169 F C 1.915 177.518 175.800 -0.328 0.000 1.111 169 F CA 0.820 58.657 58.000 -0.271 0.000 1.445 169 F CB 0.258 39.102 39.000 -0.259 0.000 1.081 169 F HN -0.157 nan 8.300 nan 0.000 0.558 170 S N -1.277 114.147 115.700 -0.460 0.000 2.456 170 S HA -0.055 4.416 4.470 0.002 0.000 0.224 170 S C 1.565 176.023 174.600 -0.238 0.000 1.035 170 S CA 0.086 58.035 58.200 -0.419 0.000 0.940 170 S CB -0.439 62.563 63.200 -0.329 0.000 0.799 170 S HN 0.347 nan 8.310 nan 0.000 0.508 171 Y N 2.487 122.710 120.300 -0.128 0.000 2.173 171 Y HA -0.191 4.360 4.550 0.002 0.000 0.282 171 Y C 2.362 178.209 175.900 -0.088 0.000 1.192 171 Y CA 0.218 58.269 58.100 -0.082 0.000 1.176 171 Y CB -0.981 37.453 38.460 -0.044 0.000 0.969 171 Y HN 0.189 nan 8.280 nan 0.000 0.519 172 L N -0.083 121.144 121.223 0.006 0.000 1.997 172 L HA -0.273 4.068 4.340 0.002 0.000 0.216 172 L C 2.090 178.909 176.870 -0.085 0.000 1.074 172 L CA 2.066 56.874 54.840 -0.053 0.000 0.763 172 L CB -1.112 40.855 42.059 -0.153 0.000 0.890 172 L HN 0.268 nan 8.230 nan 0.000 0.434 173 L N -0.443 120.620 121.223 -0.266 0.000 2.042 173 L HA -0.249 4.092 4.340 0.002 0.000 0.210 173 L C 2.654 179.549 176.870 0.041 0.000 1.076 173 L CA 1.570 56.223 54.840 -0.311 0.000 0.749 173 L CB -0.770 41.044 42.059 -0.409 0.000 0.893 173 L HN 0.240 nan 8.230 nan 0.000 0.432 174 L N -1.673 119.606 121.223 0.094 0.000 2.056 174 L HA -0.228 4.113 4.340 0.002 0.000 0.207 174 L C 2.652 179.622 176.870 0.166 0.000 1.078 174 L CA 0.933 55.860 54.840 0.145 0.000 0.749 174 L CB -0.492 41.631 42.059 0.106 0.000 0.901 174 L HN 0.274 nan 8.230 nan 0.000 0.433 175 Q N 0.229 120.109 119.800 0.134 0.000 2.030 175 Q HA -0.203 4.138 4.340 0.002 0.000 0.204 175 Q C 2.274 178.383 176.000 0.182 0.000 0.986 175 Q CA 2.295 58.184 55.803 0.144 0.000 0.843 175 Q CB -0.359 28.440 28.738 0.103 0.000 0.904 175 Q HN 0.463 nan 8.270 nan 0.000 0.420 176 A N 0.187 123.111 122.820 0.173 0.000 1.908 176 A HA -0.259 4.062 4.320 0.002 0.000 0.218 176 A C 1.982 179.685 177.584 0.198 0.000 1.181 176 A CA 1.936 54.097 52.037 0.207 0.000 0.627 176 A CB -0.990 18.178 19.000 0.280 0.000 0.818 176 A HN 0.548 nan 8.150 nan 0.000 0.445 177 N N 0.103 118.914 118.700 0.184 0.000 2.223 177 N HA -0.144 4.597 4.740 0.002 0.000 0.185 177 N C 1.047 176.580 175.510 0.038 0.000 1.016 177 N CA 1.594 54.720 53.050 0.127 0.000 0.863 177 N CB -0.278 38.316 38.487 0.179 0.000 0.983 177 N HN 0.416 nan 8.380 nan 0.000 0.429 178 D N -0.737 119.764 120.400 0.168 0.000 2.133 178 D HA -0.199 4.442 4.640 0.002 0.000 0.195 178 D C 1.447 177.694 176.300 -0.089 0.000 0.997 178 D CA 0.895 54.977 54.000 0.138 0.000 0.840 178 D CB -0.471 40.520 40.800 0.317 0.000 0.947 178 D HN 0.340 nan 8.370 nan 0.000 0.452 179 Y N 1.375 121.657 120.300 -0.029 0.000 2.145 179 Y HA -0.167 4.384 4.550 0.002 0.000 0.286 179 Y C 2.385 178.220 175.900 -0.108 0.000 1.145 179 Y CA 0.362 58.465 58.100 0.006 0.000 1.148 179 Y CB -0.649 37.870 38.460 0.099 0.000 0.981 179 Y HN -0.184 nan 8.280 nan 0.000 0.507 180 V N 0.022 119.957 119.914 0.036 0.000 2.255 180 V HA -0.292 3.829 4.120 0.002 0.000 0.247 180 V C 2.338 178.325 176.094 -0.177 0.000 1.051 180 V CA 2.338 64.586 62.300 -0.087 0.000 1.018 180 V CB -0.575 31.186 31.823 -0.102 0.000 0.641 180 V HN 0.217 nan 8.190 nan 0.000 0.445 181 E N -0.039 119.907 120.200 -0.423 0.000 2.077 181 E HA -0.147 4.204 4.350 0.002 0.000 0.193 181 E C 2.044 178.267 176.600 -0.629 0.000 0.989 181 E CA 1.217 57.175 56.400 -0.737 0.000 0.800 181 E CB -0.322 28.372 29.700 -1.677 0.000 0.746 181 E HN 0.534 nan 8.360 nan 0.000 0.452 182 L N -0.579 120.329 121.223 -0.526 0.000 2.201 182 L HA -0.141 4.200 4.340 0.002 0.000 0.212 182 L C 2.227 179.081 176.870 -0.027 0.000 1.105 182 L CA 1.161 55.851 54.840 -0.251 0.000 0.775 182 L CB -0.294 41.588 42.059 -0.295 0.000 0.913 182 L HN 0.280 nan 8.230 nan 0.000 0.440 183 H N 0.088 119.122 119.070 -0.061 0.000 2.428 183 H HA -0.049 4.508 4.556 0.002 0.000 0.296 183 H C 2.387 177.666 175.328 -0.081 0.000 1.062 183 H CA 1.342 57.377 56.048 -0.022 0.000 1.350 183 H CB 0.247 29.983 29.762 -0.044 0.000 1.403 183 H HN 0.062 nan 8.280 nan 0.000 0.533 184 R N -0.061 120.337 120.500 -0.170 0.000 2.066 184 R HA -0.024 4.317 4.340 0.002 0.000 0.232 184 R C 2.315 178.465 176.300 -0.249 0.000 1.131 184 R CA 1.609 57.577 56.100 -0.220 0.000 0.955 184 R CB -0.012 30.181 30.300 -0.179 0.000 0.851 184 R HN 0.374 nan 8.270 nan 0.000 0.432 185 R N -0.978 119.346 120.500 -0.294 0.000 2.161 185 R HA 0.032 4.373 4.340 0.002 0.000 0.213 185 R C 0.831 176.767 176.300 -0.607 0.000 1.055 185 R CA 0.772 56.605 56.100 -0.444 0.000 0.996 185 R CB 0.233 30.215 30.300 -0.530 0.000 0.901 185 R HN 0.364 nan 8.270 nan 0.000 0.456 186 H N -1.450 117.581 119.070 -0.065 0.000 3.052 186 H HA 0.192 4.749 4.556 0.002 0.000 0.257 186 H C 0.770 176.076 175.328 -0.037 0.000 1.193 186 H CA 0.382 56.414 56.048 -0.027 0.000 1.072 186 H CB 1.283 31.052 29.762 0.013 0.000 1.685 186 H HN 0.371 nan 8.280 nan 0.000 0.630 187 G N 1.770 110.533 108.800 -0.062 0.000 2.233 187 G HA2 -0.340 3.621 3.960 0.002 0.000 0.270 187 G HA3 -0.340 3.621 3.960 0.002 0.000 0.270 187 G C 0.730 175.692 174.900 0.104 0.000 1.011 187 G CA 0.549 45.572 45.100 -0.128 0.000 0.762 187 G HN 0.563 nan 8.290 nan 0.000 0.511 188 C N 0.490 119.906 119.300 0.194 0.000 2.596 188 C HA 0.591 5.052 4.460 0.002 0.000 0.414 188 C C 1.942 177.191 174.990 0.432 0.000 1.396 188 C CA 1.293 60.483 59.018 0.287 0.000 1.698 188 C CB 0.356 28.257 27.740 0.268 0.000 2.572 188 C HN 0.770 nan 8.230 nan 0.000 0.604 189 T N 4.150 118.902 114.554 0.330 0.000 3.058 189 T HA 0.340 4.691 4.350 0.002 0.000 0.278 189 T C -0.406 174.483 174.700 0.315 0.000 0.974 189 T CA -0.020 62.256 62.100 0.292 0.000 0.893 189 T CB -0.146 68.867 68.868 0.242 0.000 1.138 189 T HN 0.751 nan 8.240 nan 0.000 0.529 190 L N 1.608 122.990 121.223 0.265 0.000 2.513 190 L HA 0.629 4.970 4.340 0.002 0.000 0.261 190 L C -1.489 175.321 176.870 -0.100 0.000 0.945 190 L CA -0.403 54.525 54.840 0.147 0.000 0.848 190 L CB 2.301 44.357 42.059 -0.005 0.000 1.334 190 L HN 0.107 nan 8.230 nan 0.000 0.407 191 Q N 4.273 123.914 119.800 -0.264 0.000 2.365 191 Q HA 0.771 5.112 4.340 0.002 0.000 0.269 191 Q C -1.430 174.323 176.000 -0.413 0.000 1.061 191 Q CA -0.845 54.559 55.803 -0.664 0.000 0.816 191 Q CB 2.244 30.308 28.738 -1.123 0.000 1.325 191 Q HN 0.768 nan 8.270 nan 0.000 0.446 192 I N -0.586 119.727 120.570 -0.429 0.000 2.785 192 I HA 0.996 5.167 4.170 0.002 0.000 0.302 192 I C -0.530 175.461 176.117 -0.209 0.000 1.069 192 I CA -0.628 60.526 61.300 -0.242 0.000 1.045 192 I CB 2.367 40.249 38.000 -0.196 0.000 1.236 192 I HN 0.684 nan 8.210 nan 0.000 0.429 193 G N 2.263 111.000 108.800 -0.105 0.000 2.634 193 G HA2 0.586 4.547 3.960 0.002 0.000 0.309 193 G HA3 0.586 4.547 3.960 0.002 0.000 0.309 193 G C -0.763 174.122 174.900 -0.024 0.000 1.299 193 G CA -0.399 44.664 45.100 -0.062 0.000 0.798 193 G HN 0.986 nan 8.290 nan 0.000 0.490 194 G N -1.137 107.663 108.800 -0.000 0.000 2.634 194 G HA2 0.565 4.526 3.960 0.002 0.000 0.255 194 G HA3 0.565 4.526 3.960 0.002 0.000 0.255 194 G C 1.309 176.226 174.900 0.028 0.000 1.205 194 G CA 0.878 45.979 45.100 0.002 0.000 0.884 194 G HN 1.417 nan 8.290 nan 0.000 0.549 195 A N 0.196 123.023 122.820 0.011 0.000 1.898 195 A HA -0.055 4.266 4.320 0.002 0.000 0.216 195 A C 2.016 179.649 177.584 0.082 0.000 1.181 195 A CA 2.216 54.267 52.037 0.025 0.000 0.620 195 A CB -0.558 18.429 19.000 -0.021 0.000 0.819 195 A HN 0.673 nan 8.150 nan 0.000 0.442 196 D N -0.483 119.959 120.400 0.070 0.000 2.182 196 D HA -0.190 4.451 4.640 0.002 0.000 0.201 196 D C 1.584 177.956 176.300 0.119 0.000 0.986 196 D CA 1.164 55.217 54.000 0.089 0.000 0.847 196 D CB -0.525 40.317 40.800 0.070 0.000 0.942 196 D HN 0.360 nan 8.370 nan 0.000 0.467 197 Q N -0.800 119.066 119.800 0.109 0.000 2.488 197 Q HA -0.066 4.275 4.340 0.002 0.000 0.211 197 Q C 1.534 177.605 176.000 0.118 0.000 0.967 197 Q CA 0.073 55.931 55.803 0.091 0.000 0.926 197 Q CB -0.441 28.326 28.738 0.048 0.000 0.992 197 Q HN 0.618 nan 8.270 nan 0.000 0.506 198 W N 1.405 122.702 121.300 -0.005 0.000 2.290 198 W HA -0.292 4.368 4.660 0.001 0.000 0.323 198 W C 1.684 178.213 176.519 0.017 0.000 1.260 198 W CA 2.101 59.445 57.345 -0.002 0.000 1.266 198 W CB -0.693 28.765 29.460 -0.003 0.000 1.149 198 W HN 0.221 nan 8.180 nan 0.000 0.482 199 G N 1.235 110.086 108.800 0.086 0.000 2.599 199 G HA2 -0.425 3.536 3.960 0.002 0.000 0.219 199 G HA3 -0.425 3.536 3.960 0.002 0.000 0.219 199 G C 1.270 176.099 174.900 -0.118 0.000 1.193 199 G CA 1.611 46.707 45.100 -0.007 0.000 0.778 199 G HN 0.637 nan 8.290 nan 0.000 0.589 200 N N 0.125 118.789 118.700 -0.060 0.000 2.422 200 N HA 0.110 4.851 4.740 0.002 0.000 0.181 200 N C 2.084 177.550 175.510 -0.074 0.000 1.080 200 N CA 0.175 53.201 53.050 -0.039 0.000 0.893 200 N CB -0.037 38.461 38.487 0.018 0.000 0.973 200 N HN 0.395 nan 8.380 nan 0.000 0.456 201 I N 0.790 121.260 120.570 -0.166 0.000 2.202 201 I HA -0.181 3.990 4.170 0.002 0.000 0.242 201 I C 2.182 178.149 176.117 -0.251 0.000 1.091 201 I CA 0.905 62.086 61.300 -0.199 0.000 1.368 201 I CB -0.094 37.753 38.000 -0.256 0.000 1.058 201 I HN 0.062 nan 8.210 nan 0.000 0.410 202 I N 1.024 121.274 120.570 -0.534 0.000 2.493 202 I HA -0.180 3.991 4.170 0.002 0.000 0.254 202 I C 2.524 178.498 176.117 -0.238 0.000 1.160 202 I CA 1.009 62.004 61.300 -0.509 0.000 1.445 202 I CB -0.350 37.173 38.000 -0.796 0.000 1.086 202 I HN 0.121 nan 8.210 nan 0.000 0.433 203 A N 0.171 122.899 122.820 -0.152 0.000 1.892 203 A HA -0.172 4.149 4.320 0.002 0.000 0.218 203 A C 2.433 180.018 177.584 0.001 0.000 1.188 203 A CA 1.950 53.971 52.037 -0.027 0.000 0.631 203 A CB -1.646 17.390 19.000 0.061 0.000 0.822 203 A HN 0.464 nan 8.150 nan 0.000 0.447 204 G N -0.675 108.158 108.800 0.054 0.000 2.414 204 G HA2 -0.089 3.872 3.960 0.002 0.000 0.215 204 G HA3 -0.089 3.872 3.960 0.002 0.000 0.215 204 G C 1.533 176.381 174.900 -0.087 0.000 1.188 204 G CA 1.211 46.394 45.100 0.137 0.000 0.783 204 G HN 0.322 nan 8.290 nan 0.000 0.537 205 V N 0.977 120.818 119.914 -0.122 0.000 2.250 205 V HA -0.297 3.824 4.120 0.002 0.000 0.253 205 V C 2.828 178.731 176.094 -0.319 0.000 1.065 205 V CA 2.509 64.600 62.300 -0.348 0.000 1.039 205 V CB -0.561 31.128 31.823 -0.223 0.000 0.647 205 V HN 0.413 nan 8.190 nan 0.000 0.446 206 R N -0.545 119.816 120.500 -0.232 0.000 2.080 206 R HA -0.203 4.138 4.340 0.002 0.000 0.236 206 R C 2.335 178.471 176.300 -0.273 0.000 1.137 206 R CA 2.226 58.189 56.100 -0.229 0.000 0.943 206 R CB -0.496 29.683 30.300 -0.200 0.000 0.846 206 R HN 0.445 nan 8.270 nan 0.000 0.431 207 L N 0.877 121.947 121.223 -0.256 0.000 2.079 207 L HA -0.132 4.209 4.340 0.002 0.000 0.210 207 L C 2.128 178.819 176.870 -0.298 0.000 1.081 207 L CA 1.429 56.103 54.840 -0.278 0.000 0.752 207 L CB -0.318 41.677 42.059 -0.107 0.000 0.896 207 L HN 0.019 nan 8.230 nan 0.000 0.433 208 V N -0.279 119.445 119.914 -0.317 0.000 2.490 208 V HA -0.263 3.858 4.120 0.002 0.000 0.250 208 V C 2.746 178.636 176.094 -0.341 0.000 1.061 208 V CA 1.975 64.055 62.300 -0.367 0.000 1.064 208 V CB -0.676 30.799 31.823 -0.580 0.000 0.670 208 V HN 0.543 nan 8.190 nan 0.000 0.461 209 R N -0.284 120.021 120.500 -0.325 0.000 2.057 209 R HA -0.134 4.207 4.340 0.002 0.000 0.229 209 R C 2.381 178.536 176.300 -0.241 0.000 1.136 209 R CA 1.523 57.464 56.100 -0.264 0.000 0.952 209 R CB -0.277 29.882 30.300 -0.234 0.000 0.848 209 R HN 0.532 nan 8.270 nan 0.000 0.430 210 Q N 0.414 120.041 119.800 -0.288 0.000 1.998 210 Q HA -0.238 4.103 4.340 0.002 0.000 0.209 210 Q C 2.220 178.001 176.000 -0.364 0.000 1.002 210 Q CA 2.274 57.875 55.803 -0.337 0.000 0.858 210 Q CB -0.124 28.307 28.738 -0.513 0.000 0.932 210 Q HN 0.289 nan 8.270 nan 0.000 0.416 211 K N -0.193 119.934 120.400 -0.455 0.000 2.002 211 K HA -0.133 4.188 4.320 0.002 0.000 0.209 211 K C 1.723 178.233 176.600 -0.151 0.000 1.048 211 K CA 1.040 57.151 56.287 -0.294 0.000 0.930 211 K CB 0.045 32.402 32.500 -0.238 0.000 0.714 211 K HN 0.071 nan 8.250 nan 0.000 0.438 212 L N -1.194 119.934 121.223 -0.158 0.000 2.664 212 L HA 0.199 4.540 4.340 0.002 0.000 0.233 212 L C 1.254 178.068 176.870 -0.094 0.000 1.113 212 L CA 0.964 55.746 54.840 -0.096 0.000 0.896 212 L CB 0.567 42.587 42.059 -0.065 0.000 1.163 212 L HN 0.493 nan 8.230 nan 0.000 0.497 213 G N -0.465 108.256 108.800 -0.132 0.000 2.284 213 G HA2 -0.309 3.652 3.960 0.002 0.000 0.261 213 G HA3 -0.309 3.652 3.960 0.002 0.000 0.261 213 G C 0.696 175.518 174.900 -0.130 0.000 0.997 213 G CA 0.342 45.374 45.100 -0.113 0.000 0.621 213 G HN 0.670 nan 8.290 nan 0.000 0.534 214 A N 0.186 122.905 122.820 -0.168 0.000 2.388 214 A HA 0.645 4.966 4.320 0.002 0.000 0.257 214 A C 0.603 178.014 177.584 -0.289 0.000 1.095 214 A CA 1.087 52.999 52.037 -0.208 0.000 0.791 214 A CB 0.451 19.285 19.000 -0.277 0.000 1.029 214 A HN 0.668 nan 8.150 nan 0.000 0.489 215 T N 2.051 116.454 114.554 -0.252 0.000 2.743 215 T HA 0.483 4.834 4.350 0.002 0.000 0.293 215 T C 0.285 174.704 174.700 -0.467 0.000 0.945 215 T CA 0.065 61.980 62.100 -0.308 0.000 1.030 215 T CB 0.135 68.877 68.868 -0.210 0.000 0.912 215 T HN 1.021 nan 8.240 nan 0.000 0.483 216 V N 1.732 121.301 119.914 -0.575 0.000 3.181 216 V HA 0.733 4.854 4.120 0.002 0.000 0.314 216 V C -0.648 175.056 176.094 -0.649 0.000 1.173 216 V CA -1.030 60.867 62.300 -0.672 0.000 1.052 216 V CB 2.016 33.468 31.823 -0.619 0.000 1.123 216 V HN 0.826 nan 8.190 nan 0.000 0.454 217 H N 0.107 119.184 119.070 0.011 0.000 2.812 217 H HA 0.913 5.470 4.556 0.002 0.000 0.355 217 H C -0.481 174.911 175.328 0.106 0.000 1.207 217 H CA -0.263 55.815 56.048 0.051 0.000 1.217 217 H CB 2.170 31.962 29.762 0.049 0.000 1.874 217 H HN 1.135 nan 8.280 nan 0.000 0.581 218 A N 1.246 124.204 122.820 0.230 0.000 2.488 218 A HA 0.557 4.878 4.320 0.002 0.000 0.298 218 A C -1.571 176.154 177.584 0.236 0.000 1.044 218 A CA -0.600 51.523 52.037 0.143 0.000 0.693 218 A CB 1.647 20.627 19.000 -0.033 0.000 1.272 218 A HN 0.551 nan 8.150 nan 0.000 0.402 219 L N 2.547 123.865 121.223 0.159 0.000 2.482 219 L HA 0.691 5.032 4.340 0.002 0.000 0.269 219 L C -0.101 176.833 176.870 0.106 0.000 0.967 219 L CA -0.172 54.758 54.840 0.151 0.000 0.851 219 L CB 2.103 44.215 42.059 0.088 0.000 1.242 219 L HN 0.937 nan 8.230 nan 0.000 0.404 220 T N 1.363 116.000 114.554 0.138 0.000 2.934 220 T HA 0.686 5.037 4.350 0.002 0.000 0.283 220 T C -0.414 174.256 174.700 -0.051 0.000 1.005 220 T CA -0.685 61.453 62.100 0.063 0.000 1.041 220 T CB 2.201 71.146 68.868 0.128 0.000 1.042 220 T HN 0.347 nan 8.240 nan 0.000 0.505 221 V N 2.329 122.185 119.914 -0.097 0.000 2.815 221 V HA 0.586 4.707 4.120 0.002 0.000 0.314 221 V C -2.424 173.523 176.094 -0.244 0.000 1.064 221 V CA -2.602 59.573 62.300 -0.209 0.000 0.952 221 V CB 2.194 33.891 31.823 -0.209 0.000 1.020 221 V HN 0.864 nan 8.190 nan 0.000 0.439 222 P HA 0.270 nan 4.420 nan 0.000 0.275 222 P C -0.980 176.189 177.300 -0.218 0.000 1.228 222 P CA -0.239 62.660 63.100 -0.335 0.000 0.786 222 P CB 0.452 31.810 31.700 -0.571 0.000 0.927 223 L N 2.391 123.569 121.223 -0.074 0.000 2.380 223 L HA 0.141 4.482 4.340 0.002 0.000 0.273 223 L C -0.031 176.890 176.870 0.085 0.000 1.138 223 L CA 0.017 54.864 54.840 0.011 0.000 0.832 223 L CB 0.621 42.706 42.059 0.043 0.000 1.124 223 L HN 0.117 nan 8.230 nan 0.000 0.454 224 V N 2.767 122.756 119.914 0.125 0.000 2.385 224 V HA 0.361 4.482 4.120 0.002 0.000 0.269 224 V C 0.160 176.398 176.094 0.240 0.000 1.043 224 V CA -0.359 62.051 62.300 0.184 0.000 0.906 224 V CB 0.887 32.638 31.823 -0.119 0.000 0.995 224 V HN 0.813 nan 8.190 nan 0.000 0.467 225 T N 4.143 118.849 114.554 0.254 0.000 2.841 225 T HA 0.689 5.040 4.350 0.002 0.000 0.283 225 T C 0.271 175.125 174.700 0.257 0.000 1.000 225 T CA -0.281 61.960 62.100 0.234 0.000 0.977 225 T CB 1.805 70.766 68.868 0.154 0.000 0.979 225 T HN 0.876 nan 8.240 nan 0.000 0.446 226 A N 1.676 124.649 122.820 0.255 0.000 2.406 226 A HA 0.616 4.937 4.320 0.002 0.000 0.243 226 A C 1.733 179.350 177.584 0.056 0.000 1.082 226 A CA 0.092 52.230 52.037 0.169 0.000 0.786 226 A CB -0.290 18.790 19.000 0.132 0.000 1.029 226 A HN 1.088 nan 8.150 nan 0.000 0.495 227 A N 0.791 123.596 122.820 -0.024 0.000 1.972 227 A HA -0.128 4.193 4.320 0.002 0.000 0.219 227 A C 1.400 178.972 177.584 -0.019 0.000 1.169 227 A CA 1.928 53.943 52.037 -0.038 0.000 0.635 227 A CB -0.601 18.349 19.000 -0.084 0.000 0.810 227 A HN 0.923 nan 8.150 nan 0.000 0.446 228 D N -1.786 118.604 120.400 -0.017 0.000 2.338 228 D HA 0.254 4.895 4.640 0.002 0.000 0.239 228 D C 1.165 177.470 176.300 0.008 0.000 1.095 228 D CA 0.947 54.941 54.000 -0.011 0.000 0.888 228 D CB -0.705 40.083 40.800 -0.020 0.000 0.899 228 D HN 0.739 nan 8.370 nan 0.000 0.525 229 G N 0.084 108.899 108.800 0.024 0.000 2.253 229 G HA2 -0.309 3.652 3.960 0.002 0.000 0.251 229 G HA3 -0.309 3.652 3.960 0.002 0.000 0.251 229 G C 0.594 175.523 174.900 0.049 0.000 0.998 229 G CA 0.615 45.736 45.100 0.035 0.000 0.621 229 G HN 0.840 nan 8.290 nan 0.000 0.524 230 T N -0.928 113.656 114.554 0.050 0.000 2.898 230 T HA 0.500 4.851 4.350 0.002 0.000 0.301 230 T C 0.351 175.110 174.700 0.098 0.000 1.049 230 T CA 0.363 62.497 62.100 0.056 0.000 1.095 230 T CB 1.851 70.743 68.868 0.039 0.000 0.976 230 T HN 0.404 nan 8.240 nan 0.000 0.539 231 K N 1.206 121.656 120.400 0.083 0.000 2.270 231 K HA 0.287 4.608 4.320 0.002 0.000 0.276 231 K C -0.326 176.366 176.600 0.153 0.000 1.023 231 K CA -0.639 55.716 56.287 0.112 0.000 0.955 231 K CB 0.408 32.940 32.500 0.054 0.000 0.975 231 K HN 0.641 nan 8.250 nan 0.000 0.471 232 F N 1.354 121.346 119.950 0.070 0.000 2.418 232 F HA 0.313 4.841 4.527 0.002 0.000 0.341 232 F C 1.086 176.871 175.800 -0.025 0.000 1.120 232 F CA 1.030 59.080 58.000 0.084 0.000 1.232 232 F CB 0.872 39.924 39.000 0.088 0.000 1.175 232 F HN 0.823 nan 8.300 nan 0.000 0.569 233 G N 3.142 111.247 108.800 -1.158 0.000 2.137 233 G HA2 -0.209 3.752 3.960 0.002 0.000 0.237 233 G HA3 -0.209 3.752 3.960 0.002 0.000 0.237 233 G C -0.298 174.137 174.900 -0.775 0.000 1.002 233 G CA -0.152 44.194 45.100 -1.257 0.000 0.702 233 G HN 0.579 nan 8.290 nan 0.000 0.515 234 K N 0.378 120.483 120.400 -0.492 0.000 2.203 234 K HA 0.629 4.950 4.320 0.002 0.000 0.251 234 K C 0.290 176.748 176.600 -0.236 0.000 0.944 234 K CA -0.510 55.577 56.287 -0.333 0.000 0.829 234 K CB 1.823 34.212 32.500 -0.185 0.000 1.125 234 K HN 0.192 nan 8.250 nan 0.000 0.430 235 S N 0.726 116.304 115.700 -0.203 0.000 2.576 235 S HA -0.019 4.452 4.470 0.002 0.000 0.276 235 S C 1.637 176.216 174.600 -0.035 0.000 1.339 235 S CA 0.413 58.554 58.200 -0.099 0.000 1.039 235 S CB 0.442 63.596 63.200 -0.077 0.000 0.902 235 S HN 0.702 nan 8.310 nan 0.000 0.516 236 T N 2.337 116.890 114.554 -0.002 0.000 2.693 236 T HA -0.113 4.238 4.350 0.002 0.000 0.263 236 T C 0.866 175.560 174.700 -0.009 0.000 1.046 236 T CA 1.494 63.591 62.100 -0.005 0.000 1.160 236 T CB -0.991 67.879 68.868 0.003 0.000 0.853 236 T HN 1.138 nan 8.240 nan 0.000 0.462 237 G N -0.613 108.183 108.800 -0.006 0.000 2.704 237 G HA2 0.627 4.588 3.960 0.002 0.000 0.280 237 G HA3 0.627 4.588 3.960 0.002 0.000 0.280 237 G C -0.043 174.854 174.900 -0.005 0.000 1.499 237 G CA -0.104 44.992 45.100 -0.005 0.000 1.146 237 G HN 1.084 nan 8.290 nan 0.000 0.558 238 G N 0.658 109.448 108.800 -0.017 0.000 2.217 238 G HA2 0.524 4.485 3.960 0.002 0.000 0.126 238 G HA3 0.524 4.485 3.960 0.002 0.000 0.126 238 G C 0.359 175.228 174.900 -0.052 0.000 1.293 238 G CA 0.457 45.548 45.100 -0.016 0.000 1.219 238 G HN 1.669 nan 8.290 nan 0.000 0.477 239 G N -0.627 108.133 108.800 -0.066 0.000 3.264 239 G HA2 0.628 4.589 3.960 0.002 0.000 0.168 239 G HA3 0.628 4.589 3.960 0.002 0.000 0.168 239 G C 0.109 174.843 174.900 -0.277 0.000 1.145 239 G CA 0.895 45.914 45.100 -0.134 0.000 0.855 239 G HN 1.359 nan 8.290 nan 0.000 0.629 240 S N -0.626 114.817 115.700 -0.429 0.000 2.585 240 S HA 0.396 4.867 4.470 0.002 0.000 0.273 240 S C -0.491 173.620 174.600 -0.816 0.000 1.339 240 S CA -0.137 57.555 58.200 -0.846 0.000 1.028 240 S CB 0.982 63.308 63.200 -1.456 0.000 0.906 240 S HN 0.305 nan 8.310 nan 0.000 0.528 241 L N 2.293 123.064 121.223 -0.753 0.000 2.262 241 L HA 0.404 4.745 4.340 0.002 0.000 0.288 241 L C -0.738 176.075 176.870 -0.094 0.000 1.035 241 L CA 0.032 54.623 54.840 -0.416 0.000 0.820 241 L CB 0.309 42.015 42.059 -0.588 0.000 1.204 241 L HN 0.649 nan 8.230 nan 0.000 0.424 242 W N 3.843 125.323 121.300 0.300 0.000 2.381 242 W HA 0.356 5.017 4.660 0.001 0.000 0.329 242 W C 1.072 177.740 176.519 0.248 0.000 1.157 242 W CA -0.794 56.726 57.345 0.291 0.000 1.240 242 W CB 0.780 30.353 29.460 0.189 0.000 1.199 242 W HN 0.355 nan 8.180 nan 0.000 0.579 243 L N 0.817 122.249 121.223 0.348 0.000 2.291 243 L HA -0.053 4.288 4.340 0.002 0.000 0.214 243 L C 0.411 177.293 176.870 0.020 0.000 1.120 243 L CA 0.955 55.755 54.840 -0.067 0.000 0.799 243 L CB -0.815 41.205 42.059 -0.065 0.000 0.925 243 L HN 0.472 nan 8.230 nan 0.000 0.446 244 D N 1.044 121.543 120.400 0.165 0.000 2.383 244 D HA 0.053 4.694 4.640 0.002 0.000 0.252 244 D C -1.265 175.135 176.300 0.168 0.000 1.166 244 D CA -1.536 52.534 54.000 0.115 0.000 0.879 244 D CB 1.372 42.199 40.800 0.046 0.000 1.164 244 D HN -0.095 nan 8.370 nan 0.000 0.462 245 P HA -0.169 nan 4.420 nan 0.000 0.218 245 P C 0.682 178.017 177.300 0.058 0.000 1.149 245 P CA 1.162 64.305 63.100 0.071 0.000 0.817 245 P CB 0.263 31.961 31.700 -0.004 0.000 0.785 246 Q N -1.627 118.202 119.800 0.048 0.000 2.403 246 Q HA 0.183 4.524 4.340 0.002 0.000 0.203 246 Q C 2.107 178.134 176.000 0.045 0.000 0.932 246 Q CA 0.551 56.376 55.803 0.037 0.000 0.945 246 Q CB -0.205 28.542 28.738 0.015 0.000 1.045 246 Q HN 0.300 nan 8.270 nan 0.000 0.511 247 M N -1.365 118.277 119.600 0.069 0.000 2.557 247 M HA 0.090 4.571 4.480 0.002 0.000 0.262 247 M C 0.144 176.588 176.300 0.240 0.000 1.168 247 M CA 0.817 56.166 55.300 0.082 0.000 1.194 247 M CB 0.903 33.454 32.600 -0.082 0.000 1.311 247 M HN -0.216 nan 8.290 nan 0.000 0.489 248 T N 1.562 116.296 114.554 0.300 0.000 2.847 248 T HA 0.341 4.692 4.350 0.002 0.000 0.291 248 T C -0.163 174.683 174.700 0.243 0.000 0.998 248 T CA -0.730 61.561 62.100 0.318 0.000 0.967 248 T CB 1.421 70.551 68.868 0.437 0.000 0.954 248 T HN 0.290 nan 8.240 nan 0.000 0.441 249 S N 3.838 119.651 115.700 0.188 0.000 2.568 249 S HA 0.164 4.635 4.470 0.002 0.000 0.282 249 S C -1.738 172.935 174.600 0.123 0.000 1.338 249 S CA -0.956 57.313 58.200 0.115 0.000 1.045 249 S CB 0.518 63.793 63.200 0.125 0.000 0.873 249 S HN 0.312 nan 8.310 nan 0.000 0.516 250 P HA -0.159 nan 4.420 nan 0.000 0.216 250 P C 1.084 178.533 177.300 0.248 0.000 1.150 250 P CA 1.160 64.176 63.100 -0.141 0.000 0.843 250 P CB -0.151 31.371 31.700 -0.297 0.000 0.787 251 Y N 0.631 120.992 120.300 0.101 0.000 2.128 251 Y HA -0.219 4.332 4.550 0.002 0.000 0.284 251 Y C 2.441 178.485 175.900 0.240 0.000 1.154 251 Y CA 1.833 60.018 58.100 0.142 0.000 1.149 251 Y CB -1.019 37.470 38.460 0.048 0.000 0.976 251 Y HN -0.109 nan 8.280 nan 0.000 0.505 252 A N 0.250 123.256 122.820 0.310 0.000 1.933 252 A HA -0.221 4.100 4.320 0.002 0.000 0.218 252 A C 2.258 180.000 177.584 0.264 0.000 1.175 252 A CA 1.404 53.584 52.037 0.238 0.000 0.628 252 A CB -1.524 17.620 19.000 0.239 0.000 0.814 252 A HN 0.834 nan 8.150 nan 0.000 0.444 253 W N -0.527 120.896 121.300 0.205 0.000 2.353 253 W HA -0.262 4.399 4.660 0.002 0.000 0.319 253 W C 2.081 178.819 176.519 0.365 0.000 1.207 253 W CA 2.046 59.569 57.345 0.296 0.000 1.291 253 W CB -0.813 28.901 29.460 0.423 0.000 1.159 253 W HN 0.483 nan 8.180 nan 0.000 0.478 254 Y N 1.846 122.381 120.300 0.391 0.000 2.040 254 Y HA -0.378 4.173 4.550 0.001 0.000 0.275 254 Y C 2.851 178.784 175.900 0.054 0.000 1.171 254 Y CA 3.057 61.286 58.100 0.215 0.000 1.123 254 Y CB -0.803 37.713 38.460 0.094 0.000 0.963 254 Y HN -0.017 nan 8.280 nan 0.000 0.493 255 Q N -0.997 118.870 119.800 0.112 0.000 2.170 255 Q HA -0.248 4.093 4.340 0.002 0.000 0.203 255 Q C 2.096 178.034 176.000 -0.103 0.000 0.976 255 Q CA 1.846 57.629 55.803 -0.033 0.000 0.858 255 Q CB -1.023 27.642 28.738 -0.121 0.000 0.907 255 Q HN 0.739 nan 8.270 nan 0.000 0.433 256 Y N 0.333 120.487 120.300 -0.243 0.000 2.097 256 Y HA -0.269 4.282 4.550 0.002 0.000 0.282 256 Y C 1.804 177.403 175.900 -0.502 0.000 1.152 256 Y CA 1.686 59.519 58.100 -0.446 0.000 1.136 256 Y CB -0.404 37.619 38.460 -0.728 0.000 0.975 256 Y HN -0.012 nan 8.280 nan 0.000 0.498 257 F N -1.760 118.051 119.950 -0.233 0.000 2.367 257 F HA -0.087 4.441 4.527 0.002 0.000 0.298 257 F C 2.438 178.064 175.800 -0.291 0.000 1.094 257 F CA 1.046 58.893 58.000 -0.256 0.000 1.409 257 F CB -0.864 37.994 39.000 -0.236 0.000 1.064 257 F HN -0.098 nan 8.300 nan 0.000 0.528 258 V N 0.420 120.211 119.914 -0.205 0.000 2.913 258 V HA -0.192 3.929 4.120 0.002 0.000 0.260 258 V C 1.386 177.386 176.094 -0.157 0.000 1.098 258 V CA 1.568 63.742 62.300 -0.209 0.000 1.121 258 V CB -0.470 31.237 31.823 -0.192 0.000 0.714 258 V HN 0.330 nan 8.190 nan 0.000 0.487 259 N N -0.466 118.104 118.700 -0.217 0.000 2.230 259 N HA 0.057 4.798 4.740 0.002 0.000 0.202 259 N C 0.504 175.857 175.510 -0.262 0.000 1.119 259 N CA 0.092 53.008 53.050 -0.223 0.000 0.851 259 N CB 0.230 38.577 38.487 -0.233 0.000 0.990 259 N HN 0.374 nan 8.380 nan 0.000 0.497 260 T N 1.630 116.034 114.554 -0.250 0.000 2.905 260 T HA 0.111 4.462 4.350 0.002 0.000 0.299 260 T C 0.805 175.395 174.700 -0.184 0.000 1.024 260 T CA -0.151 61.831 62.100 -0.196 0.000 1.151 260 T CB 0.667 69.501 68.868 -0.057 0.000 0.987 260 T HN 0.211 nan 8.240 nan 0.000 0.535 261 A N 2.995 125.696 122.820 -0.199 0.000 2.520 261 A HA 0.108 4.429 4.320 0.002 0.000 0.235 261 A C 1.484 178.959 177.584 -0.181 0.000 1.065 261 A CA -0.549 51.384 52.037 -0.173 0.000 0.764 261 A CB 0.082 18.985 19.000 -0.162 0.000 1.002 261 A HN 0.864 nan 8.150 nan 0.000 0.502 262 D N 1.593 121.909 120.400 -0.140 0.000 2.158 262 D HA -0.143 4.498 4.640 0.002 0.000 0.197 262 D C 2.184 178.392 176.300 -0.154 0.000 0.995 262 D CA 1.967 55.889 54.000 -0.129 0.000 0.846 262 D CB -0.254 40.488 40.800 -0.097 0.000 0.941 262 D HN 0.673 nan 8.370 nan 0.000 0.456 263 A N 0.651 123.375 122.820 -0.159 0.000 1.978 263 A HA -0.179 4.142 4.320 0.002 0.000 0.220 263 A C 1.606 179.040 177.584 -0.251 0.000 1.170 263 A CA 1.730 53.666 52.037 -0.169 0.000 0.636 263 A CB -0.125 18.791 19.000 -0.140 0.000 0.810 263 A HN 0.123 nan 8.150 nan 0.000 0.448 264 D N -1.315 118.866 120.400 -0.366 0.000 2.388 264 D HA 0.033 4.674 4.640 0.002 0.000 0.208 264 D C 1.839 177.747 176.300 -0.652 0.000 1.035 264 D CA 0.725 54.332 54.000 -0.655 0.000 0.875 264 D CB -0.227 39.919 40.800 -1.089 0.000 0.984 264 D HN 0.196 nan 8.370 nan 0.000 0.508 265 V N 1.663 121.345 119.914 -0.387 0.000 2.380 265 V HA -0.226 3.895 4.120 0.002 0.000 0.251 265 V C 2.001 178.020 176.094 -0.125 0.000 1.063 265 V CA 1.328 63.502 62.300 -0.210 0.000 1.055 265 V CB -0.262 31.486 31.823 -0.124 0.000 0.657 265 V HN 0.056 nan 8.190 nan 0.000 0.455 266 I N -0.244 120.237 120.570 -0.148 0.000 2.286 266 I HA -0.130 4.041 4.170 0.002 0.000 0.245 266 I C 2.608 178.637 176.117 -0.146 0.000 1.104 266 I CA 1.610 62.849 61.300 -0.102 0.000 1.397 266 I CB -1.565 36.382 38.000 -0.088 0.000 1.072 266 I HN 0.342 nan 8.210 nan 0.000 0.417 267 R N 0.123 120.461 120.500 -0.269 0.000 2.073 267 R HA -0.212 4.129 4.340 0.002 0.000 0.234 267 R C 2.480 178.491 176.300 -0.482 0.000 1.134 267 R CA 1.634 57.444 56.100 -0.484 0.000 0.952 267 R CB -0.207 29.714 30.300 -0.632 0.000 0.850 267 R HN 0.210 nan 8.270 nan 0.000 0.433 268 Y N 0.892 120.952 120.300 -0.399 0.000 2.145 268 Y HA -0.159 4.392 4.550 0.002 0.000 0.286 268 Y C 2.303 178.222 175.900 0.032 0.000 1.145 268 Y CA 0.669 58.694 58.100 -0.125 0.000 1.148 268 Y CB -0.885 37.715 38.460 0.233 0.000 0.981 268 Y HN 0.049 nan 8.280 nan 0.000 0.507 269 L N -0.291 121.035 121.223 0.173 0.000 2.043 269 L HA -0.289 4.052 4.340 0.002 0.000 0.212 269 L C 2.698 179.597 176.870 0.049 0.000 1.075 269 L CA 1.853 56.763 54.840 0.116 0.000 0.752 269 L CB -0.415 41.684 42.059 0.067 0.000 0.891 269 L HN 0.132 nan 8.230 nan 0.000 0.432 270 R N -0.971 119.510 120.500 -0.030 0.000 2.092 270 R HA -0.189 4.152 4.340 0.002 0.000 0.231 270 R C 2.019 178.306 176.300 -0.022 0.000 1.119 270 R CA 1.471 57.549 56.100 -0.038 0.000 0.970 270 R CB -0.126 30.141 30.300 -0.054 0.000 0.864 270 R HN 0.304 nan 8.270 nan 0.000 0.440 271 W N -0.807 120.280 121.300 -0.355 0.000 2.576 271 W HA 0.148 4.809 4.660 0.001 0.000 0.275 271 W C 1.246 177.404 176.519 -0.601 0.000 1.241 271 W CA 0.113 57.106 57.345 -0.587 0.000 1.328 271 W CB -0.417 28.537 29.460 -0.842 0.000 1.092 271 W HN 0.037 nan 8.180 nan 0.000 0.586 272 F N 0.013 119.988 119.950 0.040 0.000 2.749 272 F HA 0.147 4.675 4.527 0.001 0.000 0.300 272 F C 1.331 177.090 175.800 -0.068 0.000 1.103 272 F CA 0.604 58.591 58.000 -0.020 0.000 1.342 272 F CB -0.723 38.264 39.000 -0.022 0.000 1.098 272 F HN -0.338 nan 8.300 nan 0.000 0.586 273 T N -4.530 110.033 114.554 0.015 0.000 2.831 273 T HA 0.426 4.777 4.350 0.002 0.000 0.287 273 T C -0.188 174.397 174.700 -0.192 0.000 1.070 273 T CA -0.428 61.688 62.100 0.026 0.000 1.010 273 T CB 1.201 70.142 68.868 0.122 0.000 1.264 273 T HN -0.138 nan 8.240 nan 0.000 0.532 274 F N 0.239 120.232 119.950 0.072 0.000 2.668 274 F HA 0.456 4.984 4.527 0.003 0.000 0.301 274 F C 0.592 176.454 175.800 0.104 0.000 1.106 274 F CA -0.778 57.267 58.000 0.074 0.000 1.289 274 F CB -0.006 39.026 39.000 0.054 0.000 1.006 274 F HN 0.231 nan 8.300 nan 0.000 0.535 275 L N 1.074 122.428 121.223 0.218 0.000 2.514 275 L HA 0.019 4.360 4.340 0.002 0.000 0.280 275 L C 1.160 178.172 176.870 0.238 0.000 1.223 275 L CA -0.202 54.750 54.840 0.187 0.000 0.864 275 L CB 0.239 42.382 42.059 0.140 0.000 1.118 275 L HN 0.241 nan 8.230 nan 0.000 0.494 276 S N 2.001 117.811 115.700 0.183 0.000 2.596 276 S HA 0.242 4.713 4.470 0.002 0.000 0.260 276 S C 1.130 175.786 174.600 0.094 0.000 1.336 276 S CA -0.243 58.045 58.200 0.147 0.000 0.993 276 S CB 1.304 64.534 63.200 0.049 0.000 0.923 276 S HN 0.692 nan 8.310 nan 0.000 0.567 277 A N 0.748 123.480 122.820 -0.147 0.000 1.933 277 A HA -0.098 4.223 4.320 0.002 0.000 0.218 277 A C 1.789 179.312 177.584 -0.100 0.000 1.175 277 A CA 1.681 53.570 52.037 -0.246 0.000 0.628 277 A CB -0.998 17.637 19.000 -0.609 0.000 0.814 277 A HN 0.864 nan 8.150 nan 0.000 0.444 278 D N -0.284 120.061 120.400 -0.092 0.000 2.077 278 D HA -0.117 4.524 4.640 0.002 0.000 0.196 278 D C 1.885 178.177 176.300 -0.013 0.000 0.986 278 D CA 1.396 55.365 54.000 -0.052 0.000 0.829 278 D CB -0.601 40.168 40.800 -0.050 0.000 0.983 278 D HN 0.603 nan 8.370 nan 0.000 0.453 279 E N 0.345 120.550 120.200 0.009 0.000 2.114 279 E HA -0.193 4.158 4.350 0.002 0.000 0.199 279 E C 2.340 178.960 176.600 0.034 0.000 1.008 279 E CA 0.655 57.072 56.400 0.029 0.000 0.810 279 E CB -0.141 29.591 29.700 0.053 0.000 0.739 279 E HN 0.242 nan 8.360 nan 0.000 0.456 280 L N 0.215 121.467 121.223 0.048 0.000 2.027 280 L HA -0.185 4.156 4.340 0.002 0.000 0.206 280 L C 2.589 179.471 176.870 0.020 0.000 1.074 280 L CA 1.051 55.921 54.840 0.050 0.000 0.745 280 L CB -0.472 41.643 42.059 0.093 0.000 0.898 280 L HN 0.144 nan 8.230 nan 0.000 0.433 281 A N -0.108 122.716 122.820 0.007 0.000 1.927 281 A HA -0.282 4.039 4.320 0.002 0.000 0.220 281 A C 2.147 179.726 177.584 -0.009 0.000 1.185 281 A CA 2.090 54.122 52.037 -0.009 0.000 0.639 281 A CB -0.549 18.438 19.000 -0.023 0.000 0.820 281 A HN 0.515 nan 8.150 nan 0.000 0.451 282 E N -0.379 119.818 120.200 -0.004 0.000 2.031 282 E HA -0.158 4.193 4.350 0.002 0.000 0.193 282 E C 1.990 178.588 176.600 -0.004 0.000 0.994 282 E CA 1.284 57.681 56.400 -0.004 0.000 0.800 282 E CB -0.323 29.377 29.700 0.001 0.000 0.752 282 E HN 0.635 nan 8.360 nan 0.000 0.447 283 L N 0.904 122.128 121.223 0.001 0.000 2.131 283 L HA -0.185 4.156 4.340 0.002 0.000 0.210 283 L C 2.609 179.471 176.870 -0.014 0.000 1.092 283 L CA 0.991 55.829 54.840 -0.002 0.000 0.759 283 L CB -0.275 41.788 42.059 0.006 0.000 0.903 283 L HN 0.199 nan 8.230 nan 0.000 0.435 284 E N -0.056 120.135 120.200 -0.015 0.000 2.031 284 E HA -0.301 4.050 4.350 0.002 0.000 0.193 284 E C 2.213 178.797 176.600 -0.026 0.000 0.994 284 E CA 1.391 57.776 56.400 -0.025 0.000 0.800 284 E CB -0.009 29.677 29.700 -0.023 0.000 0.752 284 E HN 0.415 nan 8.360 nan 0.000 0.447 285 Q N -0.090 119.698 119.800 -0.021 0.000 2.061 285 Q HA -0.234 4.107 4.340 0.002 0.000 0.204 285 Q C 2.156 178.143 176.000 -0.020 0.000 0.984 285 Q CA 1.578 57.369 55.803 -0.020 0.000 0.846 285 Q CB -0.244 28.484 28.738 -0.017 0.000 0.902 285 Q HN 0.363 nan 8.270 nan 0.000 0.421 286 A N 0.099 122.908 122.820 -0.017 0.000 1.903 286 A HA -0.264 4.057 4.320 0.002 0.000 0.219 286 A C 2.237 179.807 177.584 -0.023 0.000 1.191 286 A CA 2.357 54.384 52.037 -0.017 0.000 0.638 286 A CB -1.236 17.757 19.000 -0.012 0.000 0.823 286 A HN 0.520 nan 8.150 nan 0.000 0.451 287 T N -0.005 114.532 114.554 -0.028 0.000 2.746 287 T HA 0.031 4.382 4.350 0.002 0.000 0.267 287 T C 2.229 176.906 174.700 -0.038 0.000 1.039 287 T CA 1.629 63.707 62.100 -0.038 0.000 1.142 287 T CB -0.478 68.361 68.868 -0.048 0.000 0.866 287 T HN 0.640 nan 8.240 nan 0.000 0.444 288 A N 1.327 124.125 122.820 -0.036 0.000 1.877 288 A HA -0.152 4.169 4.320 0.002 0.000 0.216 288 A C 2.298 179.865 177.584 -0.029 0.000 1.186 288 A CA 1.481 53.498 52.037 -0.034 0.000 0.620 288 A CB -0.573 18.408 19.000 -0.031 0.000 0.822 288 A HN 0.534 nan 8.150 nan 0.000 0.443 289 Q N -1.253 118.532 119.800 -0.025 0.000 2.062 289 Q HA 0.039 4.380 4.340 0.002 0.000 0.196 289 Q C 0.627 176.614 176.000 -0.022 0.000 0.967 289 Q CA 0.873 56.663 55.803 -0.022 0.000 0.832 289 Q CB 0.115 28.841 28.738 -0.019 0.000 0.899 289 Q HN 0.471 nan 8.270 nan 0.000 0.442 290 R N 0.487 120.973 120.500 -0.023 0.000 2.835 290 R HA 0.168 4.509 4.340 0.002 0.000 0.290 290 R C -2.049 174.235 176.300 -0.027 0.000 1.410 290 R CA -1.127 54.960 56.100 -0.023 0.000 1.590 290 R CB 0.963 31.253 30.300 -0.018 0.000 1.288 290 R HN 0.119 nan 8.270 nan 0.000 0.637 291 P HA -0.267 nan 4.420 nan 0.000 0.218 291 P C 1.149 178.425 177.300 -0.040 0.000 1.148 291 P CA 1.249 64.325 63.100 -0.039 0.000 0.822 291 P CB 0.349 32.024 31.700 -0.042 0.000 0.784 292 Q N 0.545 120.323 119.800 -0.036 0.000 2.224 292 Q HA -0.184 4.157 4.340 0.002 0.000 0.203 292 Q C 1.900 177.880 176.000 -0.034 0.000 0.970 292 Q CA 1.538 57.318 55.803 -0.038 0.000 0.865 292 Q CB -0.883 27.834 28.738 -0.035 0.000 0.922 292 Q HN 0.209 nan 8.270 nan 0.000 0.445 293 Q N 0.726 120.509 119.800 -0.027 0.000 2.311 293 Q HA 0.075 4.416 4.340 0.002 0.000 0.203 293 Q C -0.084 175.906 176.000 -0.017 0.000 0.954 293 Q CA 0.441 56.233 55.803 -0.020 0.000 0.885 293 Q CB 0.275 29.005 28.738 -0.014 0.000 0.963 293 Q HN 0.360 nan 8.270 nan 0.000 0.471 294 R N -1.569 118.916 120.500 -0.025 0.000 3.525 294 R HA -0.284 4.057 4.340 0.002 0.000 0.276 294 R C 0.840 177.131 176.300 -0.015 0.000 1.116 294 R CA 0.330 56.414 56.100 -0.027 0.000 0.745 294 R CB -2.328 27.955 30.300 -0.029 0.000 1.185 294 R HN 0.353 nan 8.270 nan 0.000 0.454 295 A N 0.792 123.606 122.820 -0.011 0.000 1.873 295 A HA -0.123 4.198 4.320 0.002 0.000 0.218 295 A C 2.351 179.934 177.584 -0.002 0.000 1.193 295 A CA 2.079 54.115 52.037 -0.001 0.000 0.629 295 A CB -0.431 18.569 19.000 -0.001 0.000 0.826 295 A HN 0.633 nan 8.150 nan 0.000 0.447 296 A N -1.133 121.679 122.820 -0.013 0.000 1.858 296 A HA -0.203 4.118 4.320 0.002 0.000 0.216 296 A C 2.101 179.677 177.584 -0.013 0.000 1.190 296 A CA 2.002 54.032 52.037 -0.012 0.000 0.617 296 A CB -0.632 18.352 19.000 -0.027 0.000 0.827 296 A HN 0.536 nan 8.150 nan 0.000 0.443 297 Q N -0.490 119.292 119.800 -0.030 0.000 2.170 297 Q HA -0.079 4.262 4.340 0.002 0.000 0.203 297 Q C 2.219 178.179 176.000 -0.068 0.000 0.976 297 Q CA 1.592 57.368 55.803 -0.045 0.000 0.858 297 Q CB -0.204 28.494 28.738 -0.067 0.000 0.907 297 Q HN 0.639 nan 8.270 nan 0.000 0.433 298 R N -0.464 120.014 120.500 -0.036 0.000 2.115 298 R HA -0.021 4.320 4.340 0.002 0.000 0.226 298 R C 2.131 178.432 176.300 0.002 0.000 1.100 298 R CA 0.928 57.021 56.100 -0.012 0.000 0.980 298 R CB -0.024 30.312 30.300 0.060 0.000 0.875 298 R HN 0.020 nan 8.270 nan 0.000 0.445 299 R N 1.197 121.703 120.500 0.010 0.000 2.066 299 R HA -0.086 4.255 4.340 0.002 0.000 0.232 299 R C 2.021 178.328 176.300 0.012 0.000 1.131 299 R CA 1.088 57.205 56.100 0.028 0.000 0.955 299 R CB -0.796 29.524 30.300 0.033 0.000 0.851 299 R HN 0.099 nan 8.270 nan 0.000 0.432 300 L N 0.386 121.606 121.223 -0.005 0.000 1.990 300 L HA -0.100 4.241 4.340 0.002 0.000 0.213 300 L C 2.137 178.938 176.870 -0.115 0.000 1.072 300 L CA 2.450 57.276 54.840 -0.023 0.000 0.755 300 L CB -1.173 40.912 42.059 0.042 0.000 0.889 300 L HN 0.291 nan 8.230 nan 0.000 0.432 301 A N -1.650 121.067 122.820 -0.172 0.000 1.883 301 A HA -0.278 4.043 4.320 0.002 0.000 0.217 301 A C 2.544 180.054 177.584 -0.123 0.000 1.186 301 A CA 2.330 54.150 52.037 -0.361 0.000 0.624 301 A CB -1.314 17.029 19.000 -1.095 0.000 0.822 301 A HN 0.587 nan 8.150 nan 0.000 0.444 302 S N -0.771 114.940 115.700 0.019 0.000 2.356 302 S HA -0.196 4.275 4.470 0.002 0.000 0.223 302 S C 1.977 176.651 174.600 0.122 0.000 1.032 302 S CA 1.639 59.954 58.200 0.192 0.000 1.005 302 S CB -0.424 62.877 63.200 0.168 0.000 0.867 302 S HN 0.564 nan 8.310 nan 0.000 0.449 303 E N 0.756 120.992 120.200 0.059 0.000 2.077 303 E HA -0.073 4.278 4.350 0.002 0.000 0.193 303 E C 2.167 178.787 176.600 0.033 0.000 0.989 303 E CA 1.110 57.541 56.400 0.053 0.000 0.800 303 E CB -0.380 29.354 29.700 0.056 0.000 0.746 303 E HN 0.539 nan 8.360 nan 0.000 0.452 304 L N 0.489 121.698 121.223 -0.025 0.000 2.240 304 L HA -0.064 4.277 4.340 0.002 0.000 0.211 304 L C 2.358 179.370 176.870 0.236 0.000 1.106 304 L CA 0.863 55.693 54.840 -0.018 0.000 0.793 304 L CB -0.159 41.623 42.059 -0.463 0.000 0.927 304 L HN 0.074 nan 8.230 nan 0.000 0.446 305 T N -1.041 113.697 114.554 0.306 0.000 2.942 305 T HA -0.086 4.265 4.350 0.002 0.000 0.265 305 T C 1.983 176.785 174.700 0.170 0.000 1.062 305 T CA 0.756 63.089 62.100 0.388 0.000 1.139 305 T CB 0.070 69.272 68.868 0.557 0.000 0.883 305 T HN 0.023 nan 8.240 nan 0.000 0.468 306 V N 1.701 121.685 119.914 0.118 0.000 2.307 306 V HA -0.058 4.063 4.120 0.002 0.000 0.245 306 V C 2.406 178.470 176.094 -0.049 0.000 1.045 306 V CA 1.139 63.467 62.300 0.047 0.000 1.024 306 V CB -0.607 31.246 31.823 0.051 0.000 0.651 306 V HN 0.425 nan 8.190 nan 0.000 0.449 307 L N -0.281 120.894 121.223 -0.081 0.000 2.021 307 L HA -0.231 4.110 4.340 0.002 0.000 0.215 307 L C 2.303 178.972 176.870 -0.336 0.000 1.074 307 L CA 2.075 56.793 54.840 -0.204 0.000 0.760 307 L CB -0.120 41.815 42.059 -0.207 0.000 0.889 307 L HN 0.222 nan 8.230 nan 0.000 0.433 308 V N -1.512 118.162 119.914 -0.400 0.000 2.426 308 V HA -0.145 3.976 4.120 0.002 0.000 0.242 308 V C 1.895 177.619 176.094 -0.618 0.000 1.036 308 V CA 1.179 63.082 62.300 -0.661 0.000 1.044 308 V CB -0.438 30.695 31.823 -1.150 0.000 0.688 308 V HN 0.481 nan 8.190 nan 0.000 0.462 309 H N -0.287 118.672 119.070 -0.185 0.000 2.755 309 H HA 0.466 5.023 4.556 0.002 0.000 0.273 309 H C 1.118 176.415 175.328 -0.052 0.000 1.055 309 H CA 0.767 56.749 56.048 -0.109 0.000 1.191 309 H CB 0.523 30.239 29.762 -0.075 0.000 1.536 309 H HN 0.469 nan 8.280 nan 0.000 0.529 310 G N 1.412 110.227 108.800 0.026 0.000 2.781 310 G HA2 -0.234 3.727 3.960 0.002 0.000 0.683 310 G HA3 -0.234 3.727 3.960 0.002 0.000 0.683 310 G C 0.729 175.663 174.900 0.057 0.000 1.390 310 G CA -0.138 44.976 45.100 0.023 0.000 0.850 310 G HN 0.222 nan 8.290 nan 0.000 0.557 311 E N -0.004 120.221 120.200 0.043 0.000 2.077 311 E HA -0.150 4.201 4.350 0.002 0.000 0.193 311 E C 2.943 179.583 176.600 0.066 0.000 0.989 311 E CA 1.806 58.239 56.400 0.056 0.000 0.800 311 E CB -0.305 29.420 29.700 0.041 0.000 0.746 311 E HN 0.874 nan 8.360 nan 0.000 0.452 312 A N 1.756 124.607 122.820 0.052 0.000 1.858 312 A HA -0.101 4.220 4.320 0.002 0.000 0.216 312 A C 2.470 180.088 177.584 0.056 0.000 1.190 312 A CA 2.085 54.150 52.037 0.047 0.000 0.617 312 A CB -0.717 18.300 19.000 0.029 0.000 0.827 312 A HN 0.278 nan 8.150 nan 0.000 0.443 313 A N -1.077 121.779 122.820 0.060 0.000 1.978 313 A HA -0.084 4.237 4.320 0.002 0.000 0.220 313 A C 2.265 179.899 177.584 0.084 0.000 1.170 313 A CA 2.330 54.403 52.037 0.059 0.000 0.636 313 A CB -1.192 17.843 19.000 0.059 0.000 0.810 313 A HN 0.469 nan 8.150 nan 0.000 0.448 314 T N 0.182 114.804 114.554 0.113 0.000 2.812 314 T HA 0.059 4.410 4.350 0.002 0.000 0.264 314 T C 2.274 177.019 174.700 0.076 0.000 1.042 314 T CA 1.342 63.518 62.100 0.127 0.000 1.140 314 T CB -0.471 68.499 68.868 0.169 0.000 0.870 314 T HN 0.599 nan 8.240 nan 0.000 0.445 315 A N 1.837 124.720 122.820 0.105 0.000 1.892 315 A HA 0.004 4.325 4.320 0.002 0.000 0.218 315 A C 2.672 180.417 177.584 0.268 0.000 1.188 315 A CA 2.139 54.279 52.037 0.172 0.000 0.631 315 A CB -1.294 17.809 19.000 0.170 0.000 0.822 315 A HN 0.520 nan 8.150 nan 0.000 0.447 316 A N -0.797 122.110 122.820 0.146 0.000 1.883 316 A HA -0.046 4.275 4.320 0.002 0.000 0.217 316 A C 2.241 179.878 177.584 0.088 0.000 1.186 316 A CA 1.964 54.064 52.037 0.106 0.000 0.624 316 A CB -1.041 17.983 19.000 0.040 0.000 0.822 316 A HN 0.479 nan 8.150 nan 0.000 0.444 317 V N -0.069 119.863 119.914 0.029 0.000 2.515 317 V HA -0.237 3.884 4.120 0.002 0.000 0.250 317 V C 2.383 178.357 176.094 -0.199 0.000 1.058 317 V CA 2.220 64.510 62.300 -0.017 0.000 1.064 317 V CB -0.757 31.015 31.823 -0.085 0.000 0.675 317 V HN 0.632 nan 8.190 nan 0.000 0.461 318 E N -0.760 119.276 120.200 -0.273 0.000 2.072 318 E HA -0.184 4.167 4.350 0.002 0.000 0.190 318 E C 2.164 178.678 176.600 -0.144 0.000 0.982 318 E CA 1.290 57.516 56.400 -0.290 0.000 0.803 318 E CB -0.148 29.408 29.700 -0.239 0.000 0.755 318 E HN 0.720 nan 8.360 nan 0.000 0.453 319 H N 0.278 119.324 119.070 -0.040 0.000 2.321 319 H HA -0.092 4.465 4.556 0.002 0.000 0.300 319 H C 2.020 177.342 175.328 -0.010 0.000 1.087 319 H CA 1.566 57.606 56.048 -0.012 0.000 1.319 319 H CB -0.153 29.603 29.762 -0.010 0.000 1.379 319 H HN 0.192 nan 8.280 nan 0.000 0.501 320 A N 0.448 123.331 122.820 0.105 0.000 1.865 320 A HA -0.247 4.074 4.320 0.002 0.000 0.217 320 A C 2.455 180.057 177.584 0.030 0.000 1.191 320 A CA 2.277 54.328 52.037 0.024 0.000 0.623 320 A CB -0.981 18.005 19.000 -0.023 0.000 0.826 320 A HN 0.551 nan 8.150 nan 0.000 0.444 321 S N -0.796 114.992 115.700 0.146 0.000 2.474 321 S HA -0.073 4.398 4.470 0.002 0.000 0.235 321 S C 1.857 176.580 174.600 0.206 0.000 0.997 321 S CA 1.076 59.406 58.200 0.216 0.000 0.949 321 S CB -0.243 63.108 63.200 0.251 0.000 0.766 321 S HN 0.590 nan 8.310 nan 0.000 0.517 322 R N 0.947 121.515 120.500 0.112 0.000 2.064 322 R HA 0.271 4.612 4.340 0.002 0.000 0.221 322 R C 2.748 179.101 176.300 0.087 0.000 1.136 322 R CA 0.945 57.113 56.100 0.113 0.000 0.980 322 R CB -0.602 29.724 30.300 0.044 0.000 0.876 322 R HN 0.474 nan 8.270 nan 0.000 0.437 323 A N 1.008 123.851 122.820 0.039 0.000 1.933 323 A HA -0.159 4.162 4.320 0.002 0.000 0.218 323 A C 1.962 179.502 177.584 -0.072 0.000 1.175 323 A CA 1.119 53.157 52.037 0.001 0.000 0.628 323 A CB -0.419 18.580 19.000 -0.002 0.000 0.814 323 A HN 0.185 nan 8.150 nan 0.000 0.444 324 L N -1.762 119.354 121.223 -0.179 0.000 2.265 324 L HA 0.009 4.350 4.340 0.002 0.000 0.215 324 L C 0.383 176.929 176.870 -0.539 0.000 1.117 324 L CA 1.372 55.966 54.840 -0.410 0.000 0.782 324 L CB -0.384 41.315 42.059 -0.600 0.000 0.914 324 L HN 0.383 nan 8.230 nan 0.000 0.441 325 F N -1.064 118.889 119.950 0.004 0.000 2.963 325 F HA 0.481 5.009 4.527 0.002 0.000 0.321 325 F C 1.574 177.372 175.800 -0.004 0.000 1.234 325 F CA 0.050 58.051 58.000 0.000 0.000 1.296 325 F CB -0.062 38.944 39.000 0.010 0.000 0.981 325 F HN 0.040 nan 8.300 nan 0.000 0.507 326 G N 0.467 109.319 108.800 0.087 0.000 2.708 326 G HA2 -0.339 3.622 3.960 0.002 0.000 0.229 326 G HA3 -0.339 3.622 3.960 0.002 0.000 0.229 326 G C 1.072 176.006 174.900 0.056 0.000 1.236 326 G CA -0.383 44.752 45.100 0.057 0.000 0.749 326 G HN 0.269 nan 8.290 nan 0.000 0.515 327 R N 2.759 123.310 120.500 0.086 0.000 4.330 327 R HA 0.390 4.731 4.340 0.002 0.000 0.161 327 R C 1.004 177.339 176.300 0.058 0.000 1.942 327 R CA 1.256 57.398 56.100 0.070 0.000 1.438 327 R CB -1.535 28.816 30.300 0.085 0.000 1.348 327 R HN 1.773 nan 8.270 nan 0.000 0.793 328 G N 0.105 108.932 108.800 0.046 0.000 2.347 328 G HA2 -0.130 3.831 3.960 0.002 0.000 0.477 328 G HA3 -0.130 3.831 3.960 0.002 0.000 0.477 328 G C -1.487 173.433 174.900 0.033 0.000 1.349 328 G CA -0.969 44.160 45.100 0.049 0.000 1.000 328 G HN 0.289 nan 8.290 nan 0.000 0.605 329 E N 0.065 120.285 120.200 0.035 0.000 2.081 329 E HA 0.428 4.779 4.350 0.002 0.000 0.276 329 E C 1.347 177.948 176.600 0.001 0.000 0.950 329 E CA -0.781 55.627 56.400 0.013 0.000 0.776 329 E CB 0.602 30.309 29.700 0.013 0.000 1.094 329 E HN 0.535 nan 8.360 nan 0.000 0.402 330 L N 2.793 124.005 121.223 -0.018 0.000 2.599 330 L HA 0.291 4.632 4.340 0.002 0.000 0.230 330 L C 1.715 178.558 176.870 -0.045 0.000 1.141 330 L CA 0.684 55.503 54.840 -0.034 0.000 0.877 330 L CB -0.681 41.344 42.059 -0.057 0.000 1.009 330 L HN 0.452 nan 8.230 nan 0.000 0.447 331 A N 0.285 123.080 122.820 -0.043 0.000 2.015 331 A HA -0.067 4.254 4.320 0.002 0.000 0.219 331 A C 2.288 179.841 177.584 -0.053 0.000 1.163 331 A CA 0.912 52.913 52.037 -0.061 0.000 0.646 331 A CB -0.311 18.665 19.000 -0.040 0.000 0.806 331 A HN 0.333 nan 8.150 nan 0.000 0.448 332 R N -0.214 120.268 120.500 -0.030 0.000 2.236 332 R HA 0.158 4.499 4.340 0.002 0.000 0.208 332 R C 0.421 176.716 176.300 -0.008 0.000 1.036 332 R CA 0.045 56.129 56.100 -0.027 0.000 1.001 332 R CB -0.882 29.389 30.300 -0.049 0.000 0.896 332 R HN 0.470 nan 8.270 nan 0.000 0.464 333 L N 1.766 122.996 121.223 0.012 0.000 2.456 333 L HA 0.083 4.424 4.340 0.002 0.000 0.272 333 L C 0.704 177.655 176.870 0.135 0.000 1.189 333 L CA 0.233 55.097 54.840 0.039 0.000 0.846 333 L CB -0.080 41.987 42.059 0.014 0.000 1.111 333 L HN 0.219 nan 8.230 nan 0.000 0.475 334 D N 1.582 122.011 120.400 0.049 0.000 2.417 334 D HA 0.043 4.684 4.640 0.002 0.000 0.250 334 D C 0.984 177.264 176.300 -0.033 0.000 1.166 334 D CA -0.020 53.985 54.000 0.007 0.000 0.881 334 D CB 0.667 41.449 40.800 -0.031 0.000 1.164 334 D HN 0.866 nan 8.370 nan 0.000 0.467 335 E N 1.007 121.071 120.200 -0.227 0.000 2.070 335 E HA -0.194 4.157 4.350 0.002 0.000 0.197 335 E C 2.470 178.992 176.600 -0.131 0.000 1.004 335 E CA 1.587 57.805 56.400 -0.303 0.000 0.805 335 E CB -0.076 29.251 29.700 -0.622 0.000 0.744 335 E HN 0.657 nan 8.360 nan 0.000 0.451 336 A N 0.225 122.977 122.820 -0.113 0.000 1.892 336 A HA -0.252 4.069 4.320 0.002 0.000 0.218 336 A C 2.388 179.908 177.584 -0.107 0.000 1.188 336 A CA 2.458 54.448 52.037 -0.077 0.000 0.631 336 A CB -1.140 17.825 19.000 -0.058 0.000 0.822 336 A HN 0.422 nan 8.150 nan 0.000 0.447 337 T N 0.102 114.588 114.554 -0.114 0.000 2.701 337 T HA -0.089 4.262 4.350 0.002 0.000 0.263 337 T C 1.889 176.419 174.700 -0.284 0.000 1.040 337 T CA 1.201 63.215 62.100 -0.144 0.000 1.147 337 T CB -0.494 68.321 68.868 -0.088 0.000 0.865 337 T HN 0.331 nan 8.240 nan 0.000 0.426 338 L N 0.694 121.747 121.223 -0.284 0.000 2.043 338 L HA -0.204 4.137 4.340 0.002 0.000 0.212 338 L C 2.863 179.319 176.870 -0.690 0.000 1.075 338 L CA 1.597 56.175 54.840 -0.436 0.000 0.752 338 L CB -0.664 41.199 42.059 -0.328 0.000 0.891 338 L HN 0.333 nan 8.230 nan 0.000 0.432 339 A N -0.278 122.174 122.820 -0.612 0.000 1.851 339 A HA -0.252 4.069 4.320 0.002 0.000 0.216 339 A C 2.466 179.788 177.584 -0.436 0.000 1.195 339 A CA 2.019 53.680 52.037 -0.627 0.000 0.622 339 A CB -1.039 17.881 19.000 -0.134 0.000 0.831 339 A HN 0.541 nan 8.150 nan 0.000 0.444 340 A N -0.176 122.474 122.820 -0.284 0.000 1.873 340 A HA 0.036 4.357 4.320 0.002 0.000 0.218 340 A C 2.572 179.944 177.584 -0.354 0.000 1.193 340 A CA 2.804 54.721 52.037 -0.200 0.000 0.629 340 A CB -1.307 17.636 19.000 -0.097 0.000 0.826 340 A HN 1.287 nan 8.150 nan 0.000 0.447 341 A N -0.459 121.944 122.820 -0.695 0.000 1.903 341 A HA -0.154 4.167 4.320 0.002 0.000 0.219 341 A C 2.180 179.458 177.584 -0.511 0.000 1.191 341 A CA 1.842 53.262 52.037 -1.028 0.000 0.638 341 A CB -0.674 17.722 19.000 -1.007 0.000 0.823 341 A HN 0.518 nan 8.150 nan 0.000 0.451 342 L N -1.605 119.329 121.223 -0.482 0.000 2.240 342 L HA -0.032 4.309 4.340 0.002 0.000 0.211 342 L C 2.623 179.391 176.870 -0.170 0.000 1.106 342 L CA 0.476 55.113 54.840 -0.338 0.000 0.793 342 L CB -0.382 41.379 42.059 -0.497 0.000 0.927 342 L HN 0.293 nan 8.230 nan 0.000 0.446 343 R N 0.125 120.526 120.500 -0.164 0.000 2.237 343 R HA -0.089 4.252 4.340 0.002 0.000 0.219 343 R C 1.845 178.158 176.300 0.023 0.000 1.080 343 R CA 0.639 56.726 56.100 -0.023 0.000 0.995 343 R CB -0.023 30.278 30.300 0.001 0.000 0.875 343 R HN 0.402 nan 8.270 nan 0.000 0.462 344 E N 0.248 120.462 120.200 0.023 0.000 2.046 344 E HA -0.072 4.279 4.350 0.002 0.000 0.190 344 E C 1.464 178.108 176.600 0.072 0.000 0.982 344 E CA 1.188 57.642 56.400 0.088 0.000 0.800 344 E CB -0.520 29.287 29.700 0.178 0.000 0.756 344 E HN 0.358 nan 8.360 nan 0.000 0.449 345 T N -1.061 113.522 114.554 0.048 0.000 2.753 345 T HA 0.135 4.486 4.350 0.002 0.000 0.309 345 T C 0.618 175.346 174.700 0.047 0.000 1.043 345 T CA -0.349 61.780 62.100 0.049 0.000 0.964 345 T CB 0.848 69.735 68.868 0.032 0.000 1.206 345 T HN -0.028 nan 8.240 nan 0.000 0.528 346 T N 0.641 115.224 114.554 0.049 0.000 2.727 346 T HA 0.434 4.785 4.350 0.002 0.000 0.298 346 T C -0.671 174.069 174.700 0.067 0.000 0.942 346 T CA -0.680 61.453 62.100 0.056 0.000 0.997 346 T CB -0.136 68.761 68.868 0.049 0.000 0.917 346 T HN 0.696 nan 8.240 nan 0.000 0.487 347 V N 5.628 125.595 119.914 0.089 0.000 2.370 347 V HA 0.832 4.953 4.120 0.002 0.000 0.283 347 V C -0.018 176.145 176.094 0.116 0.000 1.023 347 V CA -0.715 61.665 62.300 0.132 0.000 0.857 347 V CB 0.777 32.731 31.823 0.218 0.000 0.985 347 V HN 1.068 nan 8.190 nan 0.000 0.443 348 A N 5.825 128.709 122.820 0.108 0.000 2.260 348 A HA 0.609 4.930 4.320 0.002 0.000 0.308 348 A C 0.059 177.688 177.584 0.076 0.000 1.254 348 A CA -0.554 51.531 52.037 0.080 0.000 0.874 348 A CB 0.207 19.247 19.000 0.067 0.000 1.153 348 A HN 0.897 nan 8.150 nan 0.000 0.527 349 E N 2.316 122.549 120.200 0.055 0.000 2.105 349 E HA 0.189 4.540 4.350 0.002 0.000 0.285 349 E C -1.061 175.553 176.600 0.025 0.000 1.055 349 E CA -0.566 55.851 56.400 0.028 0.000 0.843 349 E CB 1.190 30.902 29.700 0.019 0.000 1.067 349 E HN 0.486 nan 8.360 nan 0.000 0.398 350 L N 4.111 125.351 121.223 0.028 0.000 2.387 350 L HA 0.021 4.362 4.340 0.002 0.000 0.267 350 L C 0.178 177.050 176.870 0.003 0.000 1.197 350 L CA -0.255 54.609 54.840 0.041 0.000 1.070 350 L CB -0.507 41.614 42.059 0.104 0.000 1.349 350 L HN 0.206 nan 8.230 nan 0.000 0.422 351 K N 3.806 124.204 120.400 -0.003 0.000 2.344 351 K HA 0.367 4.688 4.320 0.002 0.000 0.260 351 K C -2.504 174.084 176.600 -0.020 0.000 0.988 351 K CA -0.947 55.329 56.287 -0.018 0.000 0.909 351 K CB -1.105 31.389 32.500 -0.011 0.000 0.968 351 K HN 0.605 nan 8.250 nan 0.000 0.505 352 P HA 0.221 nan 4.420 nan 0.000 0.271 352 P C 0.945 178.234 177.300 -0.018 0.000 1.220 352 P CA 1.131 64.211 63.100 -0.033 0.000 0.768 352 P CB 0.650 32.325 31.700 -0.043 0.000 0.848 353 G N 2.512 111.305 108.800 -0.012 0.000 2.399 353 G HA2 -0.258 3.703 3.960 0.002 0.000 0.216 353 G HA3 -0.258 3.703 3.960 0.002 0.000 0.216 353 G C 0.388 175.291 174.900 0.006 0.000 1.096 353 G CA 0.228 45.325 45.100 -0.005 0.000 0.650 353 G HN 0.849 nan 8.290 nan 0.000 0.512 354 S N 2.155 117.861 115.700 0.010 0.000 2.569 354 S HA 0.513 4.984 4.470 0.002 0.000 0.274 354 S C -2.029 172.589 174.600 0.030 0.000 1.353 354 S CA -0.218 57.994 58.200 0.020 0.000 1.023 354 S CB 0.851 64.064 63.200 0.022 0.000 0.876 354 S HN 0.444 nan 8.310 nan 0.000 0.540 355 P HA 0.293 nan 4.420 nan 0.000 0.271 355 P C -0.154 177.182 177.300 0.060 0.000 1.216 355 P CA -0.270 62.855 63.100 0.041 0.000 0.776 355 P CB 0.459 32.182 31.700 0.039 0.000 0.881 356 D N 1.115 121.554 120.400 0.065 0.000 2.259 356 D HA 0.028 4.669 4.640 0.002 0.000 0.216 356 D C 1.240 177.608 176.300 0.113 0.000 0.961 356 D CA 0.663 54.718 54.000 0.093 0.000 0.878 356 D CB -0.706 40.138 40.800 0.073 0.000 1.009 356 D HN 0.477 nan 8.370 nan 0.000 0.490 357 G N 1.738 110.595 108.800 0.095 0.000 2.238 357 G HA2 -0.117 3.844 3.960 0.002 0.000 0.234 357 G HA3 -0.117 3.844 3.960 0.002 0.000 0.234 357 G C 1.186 176.181 174.900 0.157 0.000 1.181 357 G CA -0.241 44.934 45.100 0.126 0.000 0.871 357 G HN 0.094 nan 8.290 nan 0.000 0.490 358 I N 3.062 123.777 120.570 0.241 0.000 2.229 358 I HA -0.235 3.936 4.170 0.002 0.000 0.250 358 I C 2.543 178.698 176.117 0.063 0.000 1.096 358 I CA 1.517 62.913 61.300 0.160 0.000 1.358 358 I CB -0.188 37.882 38.000 0.117 0.000 1.047 358 I HN 0.280 nan 8.210 nan 0.000 0.422 359 V N 0.772 120.726 119.914 0.066 0.000 2.427 359 V HA -0.250 3.871 4.120 0.002 0.000 0.248 359 V C 2.232 178.350 176.094 0.040 0.000 1.051 359 V CA 2.119 64.443 62.300 0.041 0.000 1.048 359 V CB -0.922 30.928 31.823 0.045 0.000 0.666 359 V HN 0.428 nan 8.190 nan 0.000 0.456 360 D N 0.213 120.645 120.400 0.053 0.000 2.117 360 D HA -0.124 4.517 4.640 0.002 0.000 0.197 360 D C 2.189 178.516 176.300 0.046 0.000 0.987 360 D CA 1.256 55.285 54.000 0.048 0.000 0.829 360 D CB -0.043 40.789 40.800 0.054 0.000 0.961 360 D HN 0.350 nan 8.370 nan 0.000 0.460 361 L N 0.600 121.855 121.223 0.053 0.000 2.056 361 L HA -0.126 4.215 4.340 0.002 0.000 0.207 361 L C 2.697 179.583 176.870 0.028 0.000 1.078 361 L CA 0.519 55.387 54.840 0.047 0.000 0.749 361 L CB -0.435 41.656 42.059 0.053 0.000 0.901 361 L HN 0.028 nan 8.230 nan 0.000 0.433 362 L N -0.586 120.645 121.223 0.014 0.000 2.013 362 L HA -0.239 4.102 4.340 0.002 0.000 0.212 362 L C 2.526 179.405 176.870 0.015 0.000 1.073 362 L CA 1.226 56.068 54.840 0.004 0.000 0.753 362 L CB -0.612 41.444 42.059 -0.006 0.000 0.890 362 L HN 0.103 nan 8.230 nan 0.000 0.432 363 V N -0.274 119.653 119.914 0.021 0.000 2.515 363 V HA -0.221 3.900 4.120 0.002 0.000 0.250 363 V C 2.678 178.788 176.094 0.027 0.000 1.058 363 V CA 1.548 63.862 62.300 0.024 0.000 1.064 363 V CB -0.912 30.926 31.823 0.025 0.000 0.675 363 V HN 0.468 nan 8.190 nan 0.000 0.461 364 A N 0.983 123.823 122.820 0.032 0.000 1.898 364 A HA -0.164 4.157 4.320 0.002 0.000 0.216 364 A C 2.398 180.005 177.584 0.038 0.000 1.181 364 A CA 2.093 54.152 52.037 0.036 0.000 0.620 364 A CB -0.558 18.468 19.000 0.043 0.000 0.819 364 A HN 0.677 nan 8.150 nan 0.000 0.442 365 S N -2.459 113.263 115.700 0.036 0.000 2.575 365 S HA 0.401 4.872 4.470 0.002 0.000 0.215 365 S C 1.417 176.037 174.600 0.034 0.000 0.966 365 S CA 1.014 59.238 58.200 0.040 0.000 0.911 365 S CB 0.036 63.257 63.200 0.036 0.000 0.780 365 S HN 1.876 nan 8.310 nan 0.000 0.514 366 G N 1.356 110.173 108.800 0.029 0.000 2.199 366 G HA2 -0.266 3.695 3.960 0.002 0.000 0.254 366 G HA3 -0.266 3.695 3.960 0.002 0.000 0.254 366 G C 0.624 175.537 174.900 0.022 0.000 0.982 366 G CA 0.383 45.498 45.100 0.026 0.000 0.632 366 G HN 0.496 nan 8.290 nan 0.000 0.529 367 L N 0.150 121.384 121.223 0.018 0.000 2.141 367 L HA 0.187 4.528 4.340 0.002 0.000 0.209 367 L C 1.307 178.182 176.870 0.009 0.000 1.094 367 L CA 1.403 56.250 54.840 0.012 0.000 0.763 367 L CB -0.107 41.953 42.059 0.002 0.000 0.908 367 L HN 0.274 nan 8.230 nan 0.000 0.437 368 S N -2.028 113.678 115.700 0.010 0.000 2.548 368 S HA 0.559 5.030 4.470 0.002 0.000 0.286 368 S C 0.567 175.176 174.600 0.015 0.000 1.098 368 S CA -0.272 57.935 58.200 0.011 0.000 0.930 368 S CB 2.187 65.392 63.200 0.008 0.000 1.070 368 S HN 0.107 nan 8.310 nan 0.000 0.480 369 A N 1.647 124.476 122.820 0.015 0.000 2.021 369 A HA 0.373 4.694 4.320 0.002 0.000 0.216 369 A C 1.051 178.645 177.584 0.017 0.000 1.163 369 A CA 0.648 52.694 52.037 0.016 0.000 0.676 369 A CB -0.018 18.991 19.000 0.015 0.000 0.818 369 A HN 0.573 nan 8.150 nan 0.000 0.453 370 S N -1.319 114.392 115.700 0.018 0.000 2.595 370 S HA 0.415 4.886 4.470 0.002 0.000 0.281 370 S C 0.715 175.328 174.600 0.022 0.000 1.117 370 S CA -0.357 57.855 58.200 0.019 0.000 0.873 370 S CB 1.125 64.336 63.200 0.018 0.000 1.108 370 S HN 0.296 nan 8.310 nan 0.000 0.477 371 K N 1.480 121.894 120.400 0.024 0.000 2.432 371 K HA 0.105 4.426 4.320 0.002 0.000 0.196 371 K C 1.427 178.045 176.600 0.031 0.000 1.038 371 K CA 1.159 57.462 56.287 0.027 0.000 0.986 371 K CB -0.679 31.838 32.500 0.028 0.000 0.782 371 K HN 0.567 nan 8.250 nan 0.000 0.485 372 G N 1.553 110.370 108.800 0.029 0.000 2.447 372 G HA2 -0.013 3.948 3.960 0.002 0.000 0.211 372 G HA3 -0.013 3.948 3.960 0.002 0.000 0.211 372 G C 1.764 176.685 174.900 0.035 0.000 1.184 372 G CA 0.624 45.743 45.100 0.033 0.000 0.813 372 G HN 0.367 nan 8.290 nan 0.000 0.540 373 A N 1.362 124.199 122.820 0.027 0.000 1.958 373 A HA 0.081 4.402 4.320 0.002 0.000 0.221 373 A C 2.753 180.352 177.584 0.026 0.000 1.178 373 A CA 2.591 54.643 52.037 0.025 0.000 0.642 373 A CB -0.838 18.174 19.000 0.019 0.000 0.816 373 A HN 0.820 nan 8.150 nan 0.000 0.453 374 A N -0.310 122.524 122.820 0.023 0.000 1.835 374 A HA -0.192 4.129 4.320 0.002 0.000 0.215 374 A C 2.197 179.795 177.584 0.023 0.000 1.199 374 A CA 1.634 53.680 52.037 0.015 0.000 0.615 374 A CB -0.621 18.386 19.000 0.013 0.000 0.838 374 A HN 0.547 nan 8.150 nan 0.000 0.444 375 R N -0.877 119.649 120.500 0.043 0.000 2.140 375 R HA -0.269 4.072 4.340 0.002 0.000 0.250 375 R C 2.695 179.083 176.300 0.147 0.000 1.150 375 R CA 2.365 58.514 56.100 0.081 0.000 0.966 375 R CB -0.617 29.741 30.300 0.097 0.000 0.869 375 R HN 0.606 nan 8.270 nan 0.000 0.445 376 R N 0.763 121.329 120.500 0.111 0.000 2.088 376 R HA -0.154 4.187 4.340 0.002 0.000 0.232 376 R C 2.399 178.765 176.300 0.109 0.000 1.136 376 R CA 2.330 58.502 56.100 0.119 0.000 0.926 376 R CB -2.316 28.020 30.300 0.061 0.000 0.837 376 R HN 0.625 nan 8.270 nan 0.000 0.429 377 T N -0.404 114.179 114.554 0.048 0.000 2.849 377 T HA -0.111 4.240 4.350 0.002 0.000 0.270 377 T C 2.124 176.816 174.700 -0.014 0.000 1.066 377 T CA 1.493 63.604 62.100 0.018 0.000 1.130 377 T CB -0.521 68.348 68.868 0.002 0.000 0.864 377 T HN 0.412 nan 8.240 nan 0.000 0.481 378 I N 0.623 121.162 120.570 -0.052 0.000 2.248 378 I HA -0.153 4.018 4.170 0.002 0.000 0.248 378 I C 1.167 177.151 176.117 -0.220 0.000 1.107 378 I CA 1.231 62.427 61.300 -0.173 0.000 1.373 378 I CB -0.353 37.483 38.000 -0.274 0.000 1.055 378 I HN 0.354 nan 8.210 nan 0.000 0.418 379 H N 0.620 119.683 119.070 -0.013 0.000 2.551 379 H HA 0.125 4.682 4.556 0.002 0.000 0.358 379 H C -0.007 175.316 175.328 -0.009 0.000 1.151 379 H CA -0.654 55.389 56.048 -0.008 0.000 1.374 379 H CB 0.288 30.049 29.762 -0.002 0.000 1.473 379 H HN 0.060 nan 8.280 nan 0.000 0.574 380 E N 1.243 121.517 120.200 0.124 0.000 1.701 380 E HA -0.306 4.045 4.350 0.002 0.000 0.353 380 E C 0.692 177.310 176.600 0.029 0.000 0.620 380 E CA 1.100 57.533 56.400 0.055 0.000 1.322 380 E CB -0.392 29.339 29.700 0.052 0.000 0.440 380 E HN 0.983 nan 8.360 nan 0.000 0.397 381 G N 1.961 110.765 108.800 0.006 0.000 3.753 381 G HA2 0.003 3.964 3.960 0.002 0.000 0.196 381 G HA3 0.003 3.964 3.960 0.002 0.000 0.196 381 G C 0.459 175.344 174.900 -0.025 0.000 1.538 381 G CA -0.092 45.006 45.100 -0.004 0.000 1.040 381 G HN 1.365 nan 8.290 nan 0.000 0.427 382 G N -0.364 108.411 108.800 -0.042 0.000 2.977 382 G HA2 0.339 4.300 3.960 0.002 0.000 0.686 382 G HA3 0.339 4.300 3.960 0.002 0.000 0.686 382 G C 0.420 175.269 174.900 -0.085 0.000 1.088 382 G CA 0.377 45.428 45.100 -0.080 0.000 0.845 382 G HN 2.072 nan 8.290 nan 0.000 0.565 383 V N 0.348 120.191 119.914 -0.118 0.000 2.881 383 V HA 0.834 4.955 4.120 0.002 0.000 0.303 383 V C 0.641 176.633 176.094 -0.171 0.000 1.070 383 V CA 0.278 62.500 62.300 -0.130 0.000 1.074 383 V CB 1.663 33.395 31.823 -0.152 0.000 1.012 383 V HN 1.459 nan 8.190 nan 0.000 0.482 384 S N 2.497 118.102 115.700 -0.158 0.000 2.502 384 S HA 0.679 5.150 4.470 0.002 0.000 0.304 384 S C -0.539 173.927 174.600 -0.224 0.000 1.097 384 S CA -0.609 57.483 58.200 -0.180 0.000 1.045 384 S CB 1.636 64.771 63.200 -0.108 0.000 1.019 384 S HN 0.802 nan 8.310 nan 0.000 0.481 385 V N 4.201 123.931 119.914 -0.306 0.000 2.311 385 V HA 0.381 4.502 4.120 0.002 0.000 0.275 385 V C -0.230 175.760 176.094 -0.173 0.000 1.022 385 V CA -0.795 61.324 62.300 -0.302 0.000 0.830 385 V CB 0.184 31.668 31.823 -0.565 0.000 1.012 385 V HN 0.992 nan 8.190 nan 0.000 0.452 386 N N 4.814 123.443 118.700 -0.118 0.000 2.756 386 N HA -0.182 4.559 4.740 0.002 0.000 0.248 386 N C 0.459 175.931 175.510 -0.064 0.000 1.062 386 N CA 0.889 53.894 53.050 -0.075 0.000 0.696 386 N CB -1.137 37.322 38.487 -0.046 0.000 0.946 386 N HN 0.874 nan 8.380 nan 0.000 0.548 387 N N -1.701 116.956 118.700 -0.072 0.000 2.741 387 N HA -0.228 4.513 4.740 0.002 0.000 0.251 387 N C -0.351 175.129 175.510 -0.050 0.000 1.112 387 N CA 1.058 54.078 53.050 -0.051 0.000 0.750 387 N CB -1.086 37.383 38.487 -0.031 0.000 1.119 387 N HN 0.701 nan 8.380 nan 0.000 0.561 388 I N 0.654 121.178 120.570 -0.078 0.000 2.382 388 I HA 0.281 4.452 4.170 0.002 0.000 0.286 388 I C 0.982 177.027 176.117 -0.120 0.000 1.002 388 I CA -0.586 60.671 61.300 -0.072 0.000 1.135 388 I CB 1.088 39.061 38.000 -0.046 0.000 1.288 388 I HN 0.167 nan 8.210 nan 0.000 0.448 389 R N 6.254 126.701 120.500 -0.088 0.000 2.402 389 R HA 0.366 4.708 4.340 0.002 0.000 0.331 389 R C -0.832 175.384 176.300 -0.141 0.000 1.040 389 R CA -0.117 55.920 56.100 -0.105 0.000 0.980 389 R CB -0.423 29.840 30.300 -0.062 0.000 0.967 389 R HN 0.464 nan 8.270 nan 0.000 0.440 390 V N 3.414 123.185 119.914 -0.238 0.000 2.432 390 V HA 0.159 4.280 4.120 0.002 0.000 0.271 390 V C -0.109 175.860 176.094 -0.207 0.000 1.046 390 V CA -0.076 62.035 62.300 -0.315 0.000 0.945 390 V CB 1.644 33.088 31.823 -0.632 0.000 0.992 390 V HN 0.947 nan 8.190 nan 0.000 0.471 391 D N 2.001 122.330 120.400 -0.119 0.000 2.479 391 D HA 0.077 4.718 4.640 0.002 0.000 0.216 391 D C 0.636 176.890 176.300 -0.075 0.000 1.110 391 D CA 0.155 54.093 54.000 -0.103 0.000 0.841 391 D CB 0.355 41.134 40.800 -0.035 0.000 1.040 391 D HN 0.519 nan 8.370 nan 0.000 0.505 392 N N 1.538 120.248 118.700 0.015 0.000 2.473 392 N HA -0.003 4.738 4.740 0.002 0.000 0.291 392 N C 0.689 176.243 175.510 0.073 0.000 1.083 392 N CA 0.023 53.118 53.050 0.076 0.000 0.951 392 N CB 2.573 41.153 38.487 0.155 0.000 1.164 392 N HN -0.110 nan 8.380 nan 0.000 0.480 393 E N 1.748 121.989 120.200 0.069 0.000 2.086 393 E HA -0.064 4.287 4.350 0.002 0.000 0.190 393 E C 0.036 176.705 176.600 0.113 0.000 0.975 393 E CA 0.752 57.191 56.400 0.066 0.000 0.813 393 E CB 0.211 29.966 29.700 0.092 0.000 0.768 393 E HN 0.577 nan 8.360 nan 0.000 0.457 394 E N 0.286 120.555 120.200 0.115 0.000 2.416 394 E HA -0.065 4.286 4.350 0.002 0.000 0.189 394 E C -0.489 176.191 176.600 0.134 0.000 1.091 394 E CA -0.162 56.300 56.400 0.103 0.000 0.889 394 E CB -0.750 28.987 29.700 0.061 0.000 1.015 394 E HN 0.285 nan 8.360 nan 0.000 0.479 395 W N 1.410 122.703 121.300 -0.012 0.000 2.435 395 W HA -0.055 4.606 4.660 0.002 0.000 0.337 395 W C 0.054 176.566 176.519 -0.012 0.000 1.300 395 W CA 0.625 57.960 57.345 -0.017 0.000 1.298 395 W CB 0.397 29.838 29.460 -0.031 0.000 1.217 395 W HN -0.226 nan 8.180 nan 0.000 0.565 396 V N 9.414 129.096 119.914 -0.388 0.000 2.715 396 V HA 0.512 4.633 4.120 0.002 0.000 0.310 396 V C -1.740 173.791 176.094 -0.940 0.000 1.054 396 V CA -2.536 59.560 62.300 -0.339 0.000 0.928 396 V CB 2.139 33.839 31.823 -0.205 0.000 1.007 396 V HN 0.431 nan 8.190 nan 0.000 0.437 397 P HA 0.312 nan 4.420 nan 0.000 0.281 397 P C -0.438 176.779 177.300 -0.139 0.000 1.286 397 P CA 0.247 63.137 63.100 -0.350 0.000 0.772 397 P CB 0.718 32.441 31.700 0.039 0.000 0.862 398 Q N 2.211 121.890 119.800 -0.202 0.000 2.492 398 Q HA 0.125 4.466 4.340 0.002 0.000 0.238 398 Q C 1.646 177.771 176.000 0.209 0.000 1.045 398 Q CA 0.421 56.208 55.803 -0.028 0.000 0.934 398 Q CB -0.350 28.342 28.738 -0.077 0.000 1.276 398 Q HN 0.493 nan 8.270 nan 0.000 0.521 399 S N -0.317 115.479 115.700 0.160 0.000 2.368 399 S HA -0.174 4.297 4.470 0.002 0.000 0.225 399 S C 1.947 176.692 174.600 0.241 0.000 1.030 399 S CA 2.203 60.505 58.200 0.169 0.000 0.999 399 S CB -0.480 62.718 63.200 -0.004 0.000 0.844 399 S HN 1.237 nan 8.310 nan 0.000 0.459 400 S N 0.296 116.079 115.700 0.138 0.000 2.515 400 S HA -0.016 4.455 4.470 0.002 0.000 0.231 400 S C 1.080 175.756 174.600 0.127 0.000 0.987 400 S CA 1.031 59.295 58.200 0.108 0.000 0.936 400 S CB -0.545 62.687 63.200 0.052 0.000 0.766 400 S HN 0.526 nan 8.310 nan 0.000 0.528 401 D N 1.045 121.537 120.400 0.153 0.000 2.149 401 D HA 0.121 4.762 4.640 0.002 0.000 0.201 401 D C -0.130 176.215 176.300 0.075 0.000 0.972 401 D CA 0.459 54.517 54.000 0.097 0.000 0.835 401 D CB -0.393 40.453 40.800 0.076 0.000 0.966 401 D HN 0.410 nan 8.370 nan 0.000 0.476 402 F N 0.993 120.977 119.950 0.058 0.000 2.590 402 F HA 0.030 4.558 4.527 0.002 0.000 0.389 402 F C 0.495 176.324 175.800 0.048 0.000 1.049 402 F CA -0.432 57.602 58.000 0.057 0.000 1.199 402 F CB 0.064 39.076 39.000 0.020 0.000 1.058 402 F HN -0.155 nan 8.300 nan 0.000 0.556 403 L N 5.840 127.186 121.223 0.205 0.000 2.410 403 L HA 0.105 4.446 4.340 0.002 0.000 0.273 403 L C 0.738 177.737 176.870 0.216 0.000 1.144 403 L CA 0.030 54.935 54.840 0.108 0.000 0.863 403 L CB -0.481 41.633 42.059 0.093 0.000 1.140 403 L HN 0.549 nan 8.230 nan 0.000 0.463 404 H N 2.193 121.369 119.070 0.176 0.000 2.822 404 H HA -0.206 4.351 4.556 0.002 0.000 0.295 404 H C 1.367 176.756 175.328 0.102 0.000 1.151 404 H CA 0.783 56.916 56.048 0.141 0.000 1.151 404 H CB -1.423 28.450 29.762 0.184 0.000 1.343 404 H HN 0.999 nan 8.280 nan 0.000 0.382 405 G N -0.056 108.850 108.800 0.177 0.000 2.341 405 G HA2 -0.374 3.587 3.960 0.002 0.000 0.292 405 G HA3 -0.374 3.587 3.960 0.002 0.000 0.292 405 G C 1.093 175.994 174.900 0.001 0.000 1.021 405 G CA 1.074 46.226 45.100 0.088 0.000 0.905 405 G HN 0.608 nan 8.290 nan 0.000 0.508 406 R N -2.550 118.011 120.500 0.101 0.000 2.769 406 R HA 0.137 4.478 4.340 0.002 0.000 0.191 406 R C -0.159 176.038 176.300 -0.172 0.000 0.881 406 R CA 0.211 56.193 56.100 -0.197 0.000 1.133 406 R CB 0.671 30.669 30.300 -0.502 0.000 1.607 406 R HN 0.351 nan 8.270 nan 0.000 0.613 407 W N 1.484 122.952 121.300 0.279 0.000 2.587 407 W HA 0.527 5.188 4.660 0.002 0.000 0.324 407 W C -0.895 175.634 176.519 0.017 0.000 1.040 407 W CA -0.652 56.778 57.345 0.142 0.000 1.222 407 W CB 1.166 30.674 29.460 0.080 0.000 1.381 407 W HN -0.164 nan 8.180 nan 0.000 0.483 408 L N 3.184 124.514 121.223 0.178 0.000 2.317 408 L HA 0.539 4.880 4.340 0.002 0.000 0.281 408 L C -0.243 176.653 176.870 0.044 0.000 1.024 408 L CA -0.871 53.963 54.840 -0.009 0.000 0.810 408 L CB 1.575 43.533 42.059 -0.168 0.000 1.240 408 L HN 0.127 nan 8.230 nan 0.000 0.427 409 V N 5.021 124.921 119.914 -0.023 0.000 2.304 409 V HA 0.315 4.436 4.120 0.002 0.000 0.269 409 V C 0.100 176.142 176.094 -0.087 0.000 1.036 409 V CA -0.436 61.829 62.300 -0.059 0.000 0.840 409 V CB 0.630 32.396 31.823 -0.094 0.000 1.036 409 V HN 0.466 nan 8.190 nan 0.000 0.466 410 L N 5.570 126.750 121.223 -0.072 0.000 2.292 410 L HA 0.667 5.008 4.340 0.002 0.000 0.284 410 L C 0.169 177.000 176.870 -0.065 0.000 1.065 410 L CA -0.322 54.466 54.840 -0.086 0.000 0.806 410 L CB 1.066 43.085 42.059 -0.067 0.000 1.175 410 L HN 0.577 nan 8.230 nan 0.000 0.431 411 R N 2.205 122.665 120.500 -0.067 0.000 2.621 411 R HA 0.386 4.727 4.340 0.002 0.000 0.284 411 R C 0.074 176.357 176.300 -0.028 0.000 0.998 411 R CA -0.578 55.507 56.100 -0.025 0.000 0.895 411 R CB 2.231 32.527 30.300 -0.007 0.000 1.195 411 R HN 0.638 nan 8.270 nan 0.000 0.450 412 R N 1.998 122.496 120.500 -0.003 0.000 2.024 412 R HA 0.231 4.572 4.340 0.002 0.000 0.216 412 R C 1.143 177.440 176.300 -0.004 0.000 1.259 412 R CA 1.294 57.387 56.100 -0.011 0.000 1.001 412 R CB -0.248 30.051 30.300 -0.002 0.000 0.881 412 R HN 0.738 nan 8.270 nan 0.000 0.459 413 G N 0.514 109.321 108.800 0.013 0.000 3.287 413 G HA2 -0.040 3.921 3.960 0.002 0.000 0.172 413 G HA3 -0.040 3.921 3.960 0.002 0.000 0.172 413 G C -0.044 174.871 174.900 0.024 0.000 1.922 413 G CA 0.310 45.416 45.100 0.010 0.000 0.952 413 G HN 0.359 nan 8.290 nan 0.000 0.520 414 K N -0.667 119.749 120.400 0.027 0.000 2.826 414 K HA 0.497 4.818 4.320 0.002 0.000 0.206 414 K C 0.720 177.340 176.600 0.033 0.000 1.116 414 K CA -0.361 55.954 56.287 0.047 0.000 1.045 414 K CB 0.892 33.400 32.500 0.013 0.000 0.758 414 K HN 0.336 nan 8.250 nan 0.000 0.465 415 R N 0.089 120.627 120.500 0.063 0.000 3.071 415 R HA 0.049 4.390 4.340 0.002 0.000 0.138 415 R C -0.370 176.024 176.300 0.156 0.000 0.826 415 R CA 0.474 56.566 56.100 -0.014 0.000 1.659 415 R CB 0.843 31.094 30.300 -0.083 0.000 1.678 415 R HN 0.254 nan 8.270 nan 0.000 0.514 416 S N 3.253 119.027 115.700 0.122 0.000 2.452 416 S HA 0.510 4.981 4.470 0.002 0.000 0.284 416 S C 0.215 174.886 174.600 0.119 0.000 1.171 416 S CA -0.682 57.589 58.200 0.118 0.000 1.064 416 S CB 0.896 64.132 63.200 0.059 0.000 0.967 416 S HN 0.283 nan 8.310 nan 0.000 0.484 417 I N -0.436 120.205 120.570 0.119 0.000 2.828 417 I HA 0.965 5.136 4.170 0.002 0.000 0.302 417 I C -0.675 175.452 176.117 0.017 0.000 1.101 417 I CA -1.390 59.934 61.300 0.039 0.000 1.031 417 I CB 1.157 39.131 38.000 -0.043 0.000 1.231 417 I HN 0.863 nan 8.210 nan 0.000 0.427 418 A N 2.592 125.410 122.820 -0.004 0.000 2.566 418 A HA 0.933 5.254 4.320 0.002 0.000 0.292 418 A C -0.519 177.075 177.584 0.016 0.000 1.112 418 A CA -0.237 51.807 52.037 0.012 0.000 0.707 418 A CB 1.477 20.492 19.000 0.026 0.000 1.302 418 A HN 1.322 nan 8.150 nan 0.000 0.409 419 G N -0.611 108.226 108.800 0.062 0.000 2.448 419 G HA2 0.581 4.542 3.960 0.002 0.000 0.324 419 G HA3 0.581 4.542 3.960 0.002 0.000 0.324 419 G C -1.267 173.751 174.900 0.196 0.000 1.203 419 G CA -0.481 44.706 45.100 0.145 0.000 0.954 419 G HN 0.988 nan 8.290 nan 0.000 0.480 420 V N 1.246 121.289 119.914 0.216 0.000 2.384 420 V HA 0.451 4.572 4.120 0.002 0.000 0.287 420 V C -0.162 176.031 176.094 0.165 0.000 1.020 420 V CA -0.701 61.697 62.300 0.164 0.000 0.850 420 V CB 1.513 33.393 31.823 0.095 0.000 0.987 420 V HN 0.836 nan 8.190 nan 0.000 0.436 421 E N 5.043 125.262 120.200 0.032 0.000 2.141 421 E HA 0.406 4.757 4.350 0.002 0.000 0.259 421 E C -0.093 176.409 176.600 -0.162 0.000 0.883 421 E CA -0.870 55.356 56.400 -0.289 0.000 0.744 421 E CB 0.913 30.324 29.700 -0.482 0.000 1.150 421 E HN 0.769 nan 8.360 nan 0.000 0.420 422 R N 2.205 122.627 120.500 -0.129 0.000 2.401 422 R HA 0.427 4.768 4.340 0.002 0.000 0.299 422 R C 0.430 176.620 176.300 -0.182 0.000 1.064 422 R CA -0.110 55.912 56.100 -0.130 0.000 1.000 422 R CB 0.105 30.259 30.300 -0.243 0.000 0.973 422 R HN 0.234 nan 8.270 nan 0.000 0.438 423 I N 0.000 120.496 120.570 -0.124 0.000 2.984 423 I HA 0.000 4.171 4.170 0.002 0.000 0.288 423 I CA 0.000 61.236 61.300 -0.107 0.000 1.566 423 I CB 0.000 37.959 38.000 -0.068 0.000 1.214 423 I HN 0.000 nan 8.210 nan 0.000 0.494