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 1k7g_1_A DATA FIRST_RESID 25 DATA SEQUENCE NSVYDFLRYH DRGDGLTVNG KTSYSIDQAA AQITRENVSW NGTNVFGKSA DATA SEQUENCE NLTFKFLQSV SSIPSGDTGF VKFNAEQIEQ AKLSLQSWSD VANLTFTEVT DATA SEQUENCE GNKSANITFG NYTRDASGNL DYGTQAYAYY PGNYQGAGSS WYNYNQSNIR DATA SEQUENCE NPGSEEYGRQ TFTHEIGHAL GLAHPGEYNA GEGDPSYNDA VYAEDSYQFS DATA SEQUENCE IMSYWGENET GADYNGHYGG APMIDDIAAI QRLYGANMTT RTGDSVYGFN DATA SEQUENCE SNTDRDFYTA TDSSKALIFS VWDAGGTDTF DFSGYSNNQR INLNEGSFSD DATA SEQUENCE VGGLKGNVSI AHGVTIENAI GGSGNDILVG NSADNILQGG AGNDVLYGGA DATA SEQUENCE GADTLYGGAG RDTFVYGSGQ DSTVAAYDWI ADFQKGIDKI DLSAFRNEGQ DATA SEQUENCE LSFVQDQFTG KGQEVMLQWD AANSITNLWL HEAGHSSVDF LVRIVGQAAQ DATA SEQUENCE SDIIV 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 25 N HA 0.000 nan 4.740 nan 0.000 0.220 25 N C 0.000 175.576 175.510 0.109 0.000 1.280 25 N CA 0.000 53.091 53.050 0.069 0.000 0.885 25 N CB 0.000 38.507 38.487 0.034 0.000 1.341 26 S N -0.063 115.677 115.700 0.066 0.000 2.399 26 S HA -0.047 4.422 4.470 -0.001 0.000 0.231 26 S C 1.931 176.584 174.600 0.089 0.000 1.022 26 S CA 1.160 59.392 58.200 0.054 0.000 0.983 26 S CB -0.414 62.785 63.200 -0.001 0.000 0.803 26 S HN 0.017 nan 8.310 nan 0.000 0.480 27 V N 0.715 120.671 119.914 0.070 0.000 2.307 27 V HA -0.125 3.995 4.120 -0.001 0.000 0.245 27 V C 2.226 178.344 176.094 0.039 0.000 1.045 27 V CA 1.897 64.219 62.300 0.037 0.000 1.024 27 V CB -1.109 30.634 31.823 -0.134 0.000 0.651 27 V HN 0.563 nan 8.190 nan 0.000 0.449 28 Y N 1.655 121.921 120.300 -0.057 0.000 2.081 28 Y HA -0.289 4.260 4.550 -0.001 0.000 0.280 28 Y C 2.460 178.367 175.900 0.011 0.000 1.163 28 Y CA 2.228 60.303 58.100 -0.041 0.000 1.135 28 Y CB -0.410 38.035 38.460 -0.025 0.000 0.970 28 Y HN 0.340 nan 8.280 nan 0.000 0.498 29 D N -0.538 119.924 120.400 0.104 0.000 2.097 29 D HA -0.207 4.432 4.640 -0.001 0.000 0.197 29 D C 2.072 178.409 176.300 0.062 0.000 0.984 29 D CA 1.449 55.477 54.000 0.047 0.000 0.826 29 D CB -0.843 40.030 40.800 0.122 0.000 0.973 29 D HN 0.395 nan 8.370 nan 0.000 0.460 30 F N 1.802 121.715 119.950 -0.061 0.000 2.202 30 F HA -0.112 4.414 4.527 -0.001 0.000 0.301 30 F C 2.129 177.943 175.800 0.025 0.000 1.082 30 F CA 0.825 58.791 58.000 -0.057 0.000 1.313 30 F CB -0.451 38.504 39.000 -0.075 0.000 1.024 30 F HN -0.124 nan 8.300 nan 0.000 0.495 31 L N -0.314 120.823 121.223 -0.145 0.000 2.265 31 L HA -0.142 4.197 4.340 -0.001 0.000 0.215 31 L C 1.889 178.661 176.870 -0.163 0.000 1.117 31 L CA 1.138 55.846 54.840 -0.221 0.000 0.782 31 L CB -0.385 41.559 42.059 -0.191 0.000 0.914 31 L HN 0.029 nan 8.230 nan 0.000 0.441 32 R N -1.673 118.746 120.500 -0.135 0.000 2.427 32 R HA 0.045 4.384 4.340 -0.001 0.000 0.262 32 R C -0.282 176.051 176.300 0.055 0.000 0.943 32 R CA -0.412 55.645 56.100 -0.072 0.000 1.081 32 R CB 0.168 30.373 30.300 -0.157 0.000 1.166 32 R HN 0.018 nan 8.270 nan 0.000 0.534 33 Y N 2.561 122.811 120.300 -0.083 0.000 2.745 33 Y HA -0.161 4.388 4.550 -0.001 0.000 0.335 33 Y C 0.409 176.361 175.900 0.088 0.000 1.212 33 Y CA 0.320 58.406 58.100 -0.024 0.000 1.535 33 Y CB -0.347 38.129 38.460 0.026 0.000 1.220 33 Y HN 0.303 nan 8.280 nan 0.000 0.531 34 H N 3.231 122.238 119.070 -0.105 0.000 2.826 34 H HA -0.232 4.324 4.556 -0.001 0.000 0.306 34 H C -0.285 175.070 175.328 0.045 0.000 1.235 34 H CA 0.768 56.740 56.048 -0.127 0.000 1.150 34 H CB -1.078 28.469 29.762 -0.358 0.000 1.409 34 H HN 0.657 nan 8.280 nan 0.000 0.420 35 D N 1.196 121.667 120.400 0.119 0.000 2.423 35 D HA 0.200 4.839 4.640 -0.001 0.000 0.238 35 D C 1.325 177.701 176.300 0.127 0.000 1.142 35 D CA 0.397 54.466 54.000 0.115 0.000 0.884 35 D CB 0.795 41.631 40.800 0.061 0.000 1.199 35 D HN 0.551 nan 8.370 nan 0.000 0.438 36 R N 0.070 120.646 120.500 0.127 0.000 2.799 36 R HA 0.665 5.004 4.340 -0.001 0.000 0.270 36 R C 0.457 176.807 176.300 0.084 0.000 1.010 36 R CA -0.695 55.472 56.100 0.111 0.000 0.916 36 R CB 0.868 31.248 30.300 0.134 0.000 1.228 36 R HN 0.517 nan 8.270 nan 0.000 0.469 37 G N 1.148 109.995 108.800 0.078 0.000 2.552 37 G HA2 -0.360 3.600 3.960 -0.001 0.000 0.265 37 G HA3 -0.360 3.600 3.960 -0.001 0.000 0.265 37 G C -0.633 174.287 174.900 0.033 0.000 1.234 37 G CA 0.572 45.698 45.100 0.044 0.000 0.944 37 G HN 1.002 nan 8.290 nan 0.000 0.568 38 D N -0.589 119.818 120.400 0.011 0.000 2.701 38 D HA 0.172 4.812 4.640 -0.001 0.000 0.235 38 D C 1.700 178.010 176.300 0.016 0.000 1.155 38 D CA 2.803 56.810 54.000 0.011 0.000 0.649 38 D CB -1.404 39.409 40.800 0.021 0.000 1.050 38 D HN 2.421 nan 8.370 nan 0.000 0.425 39 G N -1.193 107.615 108.800 0.013 0.000 2.258 39 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.274 39 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.274 39 G C 0.367 175.286 174.900 0.032 0.000 1.021 39 G CA 0.544 45.656 45.100 0.020 0.000 0.798 39 G HN 0.567 nan 8.290 nan 0.000 0.507 40 L N -0.064 121.185 121.223 0.043 0.000 2.454 40 L HA 0.728 5.067 4.340 -0.001 0.000 0.256 40 L C 0.979 177.881 176.870 0.054 0.000 1.136 40 L CA -0.074 54.794 54.840 0.046 0.000 0.804 40 L CB 1.458 43.548 42.059 0.050 0.000 1.181 40 L HN 0.346 nan 8.230 nan 0.000 0.469 41 T N -1.142 113.440 114.554 0.046 0.000 2.890 41 T HA 0.642 4.992 4.350 -0.001 0.000 0.295 41 T C -0.720 174.005 174.700 0.040 0.000 0.993 41 T CA -0.662 61.464 62.100 0.044 0.000 0.979 41 T CB 1.279 70.166 68.868 0.032 0.000 0.967 41 T HN 0.173 nan 8.240 nan 0.000 0.441 42 V N 3.745 123.686 119.914 0.045 0.000 2.555 42 V HA 0.477 4.596 4.120 -0.001 0.000 0.302 42 V C 0.268 176.393 176.094 0.050 0.000 1.038 42 V CA -1.061 61.268 62.300 0.048 0.000 0.887 42 V CB 1.311 33.170 31.823 0.061 0.000 0.991 42 V HN 1.053 nan 8.190 nan 0.000 0.434 43 N N 3.376 122.107 118.700 0.052 0.000 2.708 43 N HA -0.226 4.514 4.740 -0.001 0.000 0.249 43 N C 1.207 176.730 175.510 0.023 0.000 1.097 43 N CA 1.492 54.579 53.050 0.063 0.000 0.710 43 N CB -1.078 37.507 38.487 0.163 0.000 1.032 43 N HN 1.599 nan 8.380 nan 0.000 0.551 44 G N -1.379 107.427 108.800 0.010 0.000 2.189 44 G HA2 -0.374 3.586 3.960 -0.001 0.000 0.267 44 G HA3 -0.374 3.586 3.960 -0.001 0.000 0.267 44 G C 0.129 175.016 174.900 -0.022 0.000 0.975 44 G CA 1.204 46.300 45.100 -0.007 0.000 0.644 44 G HN 0.562 nan 8.290 nan 0.000 0.537 45 K N 0.167 120.552 120.400 -0.024 0.000 2.185 45 K HA 0.575 4.894 4.320 -0.001 0.000 0.240 45 K C 0.204 176.811 176.600 0.013 0.000 0.983 45 K CA -0.537 55.725 56.287 -0.041 0.000 0.873 45 K CB 1.079 33.509 32.500 -0.116 0.000 1.118 45 K HN 0.052 nan 8.250 nan 0.000 0.441 46 T N 0.912 115.488 114.554 0.038 0.000 2.901 46 T HA 0.014 4.363 4.350 -0.001 0.000 0.301 46 T C 0.140 174.937 174.700 0.162 0.000 1.012 46 T CA 0.067 62.236 62.100 0.114 0.000 1.135 46 T CB 0.804 69.784 68.868 0.187 0.000 0.936 46 T HN 0.397 nan 8.240 nan 0.000 0.539 47 S N 2.293 118.104 115.700 0.184 0.000 2.457 47 S HA 0.468 4.938 4.470 -0.001 0.000 0.289 47 S C -1.116 173.683 174.600 0.331 0.000 1.163 47 S CA -0.684 57.636 58.200 0.200 0.000 1.078 47 S CB 0.008 63.278 63.200 0.116 0.000 0.987 47 S HN 0.465 nan 8.310 nan 0.000 0.482 48 Y N 2.498 122.810 120.300 0.019 0.000 2.387 48 Y HA 0.434 4.984 4.550 -0.001 0.000 0.330 48 Y C 1.047 176.908 175.900 -0.066 0.000 1.133 48 Y CA -1.377 56.663 58.100 -0.099 0.000 1.152 48 Y CB 1.531 39.761 38.460 -0.383 0.000 1.215 48 Y HN 0.774 nan 8.280 nan 0.000 0.466 49 S N 1.516 117.226 115.700 0.016 0.000 2.669 49 S HA 0.355 4.824 4.470 -0.001 0.000 0.270 49 S C 1.306 175.930 174.600 0.040 0.000 1.225 49 S CA -0.639 57.575 58.200 0.024 0.000 0.991 49 S CB 0.584 63.764 63.200 -0.034 0.000 0.987 49 S HN 0.620 nan 8.310 nan 0.000 0.552 50 I N 0.751 121.367 120.570 0.078 0.000 2.145 50 I HA -0.247 3.922 4.170 -0.001 0.000 0.244 50 I C 1.891 178.032 176.117 0.041 0.000 1.075 50 I CA 1.797 63.163 61.300 0.110 0.000 1.332 50 I CB -0.522 37.546 38.000 0.114 0.000 1.033 50 I HN 0.652 nan 8.210 nan 0.000 0.410 51 D N 0.312 120.690 120.400 -0.037 0.000 2.178 51 D HA -0.166 4.473 4.640 -0.001 0.000 0.202 51 D C 2.261 178.504 176.300 -0.096 0.000 0.974 51 D CA 1.104 55.064 54.000 -0.067 0.000 0.841 51 D CB -0.225 40.510 40.800 -0.108 0.000 0.953 51 D HN 0.517 nan 8.370 nan 0.000 0.478 52 Q N 0.367 120.076 119.800 -0.151 0.000 2.123 52 Q HA -0.001 4.338 4.340 -0.001 0.000 0.199 52 Q C 2.203 178.120 176.000 -0.138 0.000 0.966 52 Q CA 1.151 56.787 55.803 -0.279 0.000 0.845 52 Q CB -0.016 28.364 28.738 -0.596 0.000 0.907 52 Q HN 0.191 nan 8.270 nan 0.000 0.439 53 A N 1.174 123.956 122.820 -0.063 0.000 1.898 53 A HA -0.036 4.283 4.320 -0.001 0.000 0.216 53 A C 2.299 179.914 177.584 0.051 0.000 1.181 53 A CA 1.388 53.374 52.037 -0.085 0.000 0.620 53 A CB -0.650 18.390 19.000 0.067 0.000 0.819 53 A HN 0.368 nan 8.150 nan 0.000 0.442 54 A N -0.114 122.743 122.820 0.062 0.000 1.933 54 A HA 0.186 4.506 4.320 -0.001 0.000 0.218 54 A C 2.448 180.058 177.584 0.044 0.000 1.175 54 A CA 1.947 54.032 52.037 0.080 0.000 0.628 54 A CB -0.860 18.182 19.000 0.069 0.000 0.814 54 A HN 0.986 nan 8.150 nan 0.000 0.444 55 A N -1.011 121.803 122.820 -0.009 0.000 1.930 55 A HA -0.120 4.200 4.320 -0.001 0.000 0.217 55 A C 2.135 179.723 177.584 0.008 0.000 1.175 55 A CA 1.958 53.977 52.037 -0.030 0.000 0.627 55 A CB -0.424 18.521 19.000 -0.092 0.000 0.815 55 A HN 0.518 nan 8.150 nan 0.000 0.443 56 Q N 0.318 120.136 119.800 0.029 0.000 2.079 56 Q HA -0.035 4.304 4.340 -0.001 0.000 0.200 56 Q C 1.640 177.692 176.000 0.087 0.000 0.974 56 Q CA 1.791 57.637 55.803 0.073 0.000 0.840 56 Q CB -0.487 28.307 28.738 0.093 0.000 0.898 56 Q HN 0.677 nan 8.270 nan 0.000 0.430 57 I N 0.090 120.725 120.570 0.108 0.000 2.676 57 I HA -0.143 4.026 4.170 -0.001 0.000 0.259 57 I C 1.275 177.426 176.117 0.057 0.000 1.194 57 I CA 1.494 62.863 61.300 0.114 0.000 1.473 57 I CB -0.259 37.838 38.000 0.162 0.000 1.096 57 I HN 0.308 nan 8.210 nan 0.000 0.443 58 T N -2.158 112.423 114.554 0.046 0.000 3.176 58 T HA 0.126 4.475 4.350 -0.001 0.000 0.263 58 T C 1.602 176.307 174.700 0.009 0.000 1.021 58 T CA -0.564 61.549 62.100 0.021 0.000 0.905 58 T CB -0.240 68.680 68.868 0.086 0.000 1.057 58 T HN 0.395 nan 8.240 nan 0.000 0.558 59 R N 1.328 121.826 120.500 -0.003 0.000 2.159 59 R HA -0.044 4.296 4.340 -0.001 0.000 0.237 59 R C 1.405 177.670 176.300 -0.058 0.000 1.131 59 R CA 1.163 57.256 56.100 -0.011 0.000 0.982 59 R CB -0.513 29.785 30.300 -0.003 0.000 0.868 59 R HN 0.246 nan 8.270 nan 0.000 0.453 60 E N 1.362 121.479 120.200 -0.139 0.000 2.409 60 E HA -0.091 4.259 4.350 -0.001 0.000 0.198 60 E C -0.071 176.404 176.600 -0.209 0.000 1.024 60 E CA 0.263 56.526 56.400 -0.228 0.000 0.861 60 E CB -0.337 29.073 29.700 -0.484 0.000 0.788 60 E HN 0.390 nan 8.360 nan 0.000 0.521 61 N N 0.159 118.768 118.700 -0.150 0.000 2.705 61 N HA -0.186 4.554 4.740 -0.001 0.000 0.255 61 N C -0.798 174.539 175.510 -0.287 0.000 1.008 61 N CA 0.729 53.685 53.050 -0.157 0.000 0.742 61 N CB -1.337 37.121 38.487 -0.048 0.000 0.906 61 N HN 0.067 nan 8.380 nan 0.000 0.541 62 V N -0.383 119.325 119.914 -0.344 0.000 2.808 62 V HA 0.806 4.926 4.120 -0.001 0.000 0.308 62 V C -0.363 175.504 176.094 -0.378 0.000 1.099 62 V CA 0.219 62.305 62.300 -0.356 0.000 0.920 62 V CB 2.300 33.911 31.823 -0.354 0.000 1.014 62 V HN 0.515 nan 8.190 nan 0.000 0.425 63 S N 3.848 119.332 115.700 -0.360 0.000 2.688 63 S HA 0.454 4.924 4.470 -0.001 0.000 0.275 63 S C -0.382 174.087 174.600 -0.220 0.000 1.175 63 S CA -0.538 57.480 58.200 -0.304 0.000 0.818 63 S CB 1.083 64.001 63.200 -0.470 0.000 1.157 63 S HN 0.741 nan 8.310 nan 0.000 0.482 64 W N 1.093 122.466 121.300 0.122 0.000 2.961 64 W HA 0.236 4.896 4.660 -0.001 0.000 0.240 64 W C 1.442 177.984 176.519 0.038 0.000 1.305 64 W CA -0.031 57.367 57.345 0.088 0.000 1.465 64 W CB -0.078 29.451 29.460 0.115 0.000 1.135 64 W HN 0.593 nan 8.180 nan 0.000 0.688 65 N N -0.453 118.337 118.700 0.150 0.000 2.236 65 N HA 0.224 4.964 4.740 -0.001 0.000 0.196 65 N C 0.842 176.332 175.510 -0.033 0.000 1.114 65 N CA 1.179 54.263 53.050 0.057 0.000 0.859 65 N CB 0.752 39.240 38.487 0.001 0.000 0.982 65 N HN 0.141 nan 8.380 nan 0.000 0.493 66 G N 0.199 108.951 108.800 -0.081 0.000 2.352 66 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.324 66 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.324 66 G C -0.771 174.012 174.900 -0.195 0.000 1.249 66 G CA -0.385 44.647 45.100 -0.112 0.000 1.053 66 G HN 0.186 nan 8.290 nan 0.000 0.492 67 T N -2.209 112.240 114.554 -0.174 0.000 2.829 67 T HA 0.609 4.959 4.350 -0.001 0.000 0.282 67 T C 0.540 175.098 174.700 -0.236 0.000 0.990 67 T CA 0.534 62.508 62.100 -0.210 0.000 1.028 67 T CB 1.253 70.038 68.868 -0.138 0.000 0.951 67 T HN 1.631 nan 8.240 nan 0.000 0.460 68 N N -0.428 118.066 118.700 -0.344 0.000 2.747 68 N HA -0.119 4.621 4.740 -0.001 0.000 0.249 68 N C -0.848 174.399 175.510 -0.438 0.000 1.107 68 N CA 0.206 53.065 53.050 -0.319 0.000 0.707 68 N CB -1.091 37.373 38.487 -0.039 0.000 1.054 68 N HN 0.535 nan 8.380 nan 0.000 0.555 69 V N 1.568 121.064 119.914 -0.696 0.000 2.334 69 V HA 0.547 4.667 4.120 -0.001 0.000 0.281 69 V C -0.131 175.540 176.094 -0.705 0.000 1.016 69 V CA -0.300 61.721 62.300 -0.466 0.000 0.832 69 V CB 0.432 32.083 31.823 -0.286 0.000 0.999 69 V HN 0.101 nan 8.190 nan 0.000 0.439 70 F N 1.212 121.098 119.950 -0.107 0.000 2.556 70 F HA 0.734 5.261 4.527 -0.001 0.000 0.327 70 F C 1.225 176.975 175.800 -0.083 0.000 1.059 70 F CA -0.258 57.670 58.000 -0.120 0.000 0.953 70 F CB 1.801 40.746 39.000 -0.092 0.000 1.227 70 F HN 0.636 nan 8.300 nan 0.000 0.478 71 G N 1.499 110.369 108.800 0.117 0.000 2.225 71 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.267 71 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.267 71 G C -0.168 174.766 174.900 0.056 0.000 1.024 71 G CA 0.303 45.451 45.100 0.080 0.000 0.784 71 G HN 0.650 nan 8.290 nan 0.000 0.507 72 K N 0.706 121.117 120.400 0.018 0.000 2.274 72 K HA 0.582 4.901 4.320 -0.001 0.000 0.262 72 K C 1.057 177.737 176.600 0.133 0.000 0.961 72 K CA -0.046 56.269 56.287 0.046 0.000 0.833 72 K CB 0.942 33.447 32.500 0.009 0.000 1.102 72 K HN 0.359 nan 8.250 nan 0.000 0.436 73 S N 2.351 118.130 115.700 0.132 0.000 2.596 73 S HA 0.617 5.086 4.470 -0.001 0.000 0.260 73 S C -0.169 174.521 174.600 0.150 0.000 1.336 73 S CA -0.561 57.729 58.200 0.150 0.000 0.993 73 S CB 1.260 64.502 63.200 0.070 0.000 0.923 73 S HN 0.711 nan 8.310 nan 0.000 0.567 74 A N 1.027 123.876 122.820 0.048 0.000 2.589 74 A HA 0.637 4.957 4.320 -0.001 0.000 0.296 74 A C -1.305 176.181 177.584 -0.164 0.000 1.062 74 A CA -1.003 51.022 52.037 -0.020 0.000 0.686 74 A CB 1.111 20.139 19.000 0.047 0.000 1.282 74 A HN 0.765 nan 8.150 nan 0.000 0.404 75 N N 1.788 120.402 118.700 -0.143 0.000 2.511 75 N HA 0.544 5.283 4.740 -0.001 0.000 0.249 75 N C -1.094 174.290 175.510 -0.210 0.000 0.971 75 N CA -0.066 52.879 53.050 -0.176 0.000 0.938 75 N CB 1.364 39.789 38.487 -0.102 0.000 1.131 75 N HN 0.592 nan 8.380 nan 0.000 0.505 76 L N 0.754 121.806 121.223 -0.284 0.000 2.322 76 L HA 0.608 4.948 4.340 -0.001 0.000 0.269 76 L C 0.856 177.688 176.870 -0.064 0.000 1.012 76 L CA -0.872 53.809 54.840 -0.266 0.000 0.815 76 L CB 1.792 43.638 42.059 -0.357 0.000 1.295 76 L HN 0.388 nan 8.230 nan 0.000 0.438 77 T N -1.307 113.184 114.554 -0.105 0.000 2.912 77 T HA 0.772 5.121 4.350 -0.001 0.000 0.288 77 T C -0.703 174.013 174.700 0.028 0.000 1.030 77 T CA -0.608 61.464 62.100 -0.046 0.000 1.020 77 T CB 1.700 70.473 68.868 -0.159 0.000 1.056 77 T HN 0.425 nan 8.240 nan 0.000 0.480 78 F N -1.100 118.776 119.950 -0.123 0.000 2.599 78 F HA 0.875 5.402 4.527 -0.001 0.000 0.311 78 F C -0.910 174.733 175.800 -0.263 0.000 1.076 78 F CA -1.204 56.681 58.000 -0.192 0.000 0.937 78 F CB 2.083 40.999 39.000 -0.140 0.000 1.282 78 F HN 0.819 nan 8.300 nan 0.000 0.460 79 K N 2.460 122.710 120.400 -0.250 0.000 2.523 79 K HA 0.491 4.811 4.320 -0.001 0.000 0.257 79 K C -2.268 174.122 176.600 -0.350 0.000 0.932 79 K CA -0.699 55.374 56.287 -0.358 0.000 0.812 79 K CB 1.988 34.357 32.500 -0.219 0.000 1.326 79 K HN 0.770 nan 8.250 nan 0.000 0.433 80 F N 4.660 124.618 119.950 0.013 0.000 2.335 80 F HA 0.308 4.835 4.527 -0.001 0.000 0.365 80 F C 0.493 176.303 175.800 0.017 0.000 1.122 80 F CA -0.827 57.157 58.000 -0.027 0.000 1.151 80 F CB 0.645 39.628 39.000 -0.028 0.000 1.282 80 F HN 0.193 nan 8.300 nan 0.000 0.513 81 L N 4.207 125.518 121.223 0.147 0.000 2.525 81 L HA -0.039 4.300 4.340 -0.001 0.000 0.278 81 L C 1.178 178.254 176.870 0.344 0.000 1.218 81 L CA 0.057 55.000 54.840 0.171 0.000 0.878 81 L CB 0.486 42.618 42.059 0.123 0.000 1.127 81 L HN 0.620 nan 8.230 nan 0.000 0.492 82 Q N 1.359 121.290 119.800 0.218 0.000 2.378 82 Q HA 0.139 4.478 4.340 -0.001 0.000 0.216 82 Q C 0.187 176.351 176.000 0.274 0.000 0.892 82 Q CA 0.304 56.262 55.803 0.259 0.000 0.931 82 Q CB 0.942 29.767 28.738 0.144 0.000 1.086 82 Q HN 0.849 nan 8.270 nan 0.000 0.528 83 S N -1.176 114.524 115.700 0.000 0.000 2.595 83 S HA 0.646 5.115 4.470 -0.001 0.000 0.270 83 S C -0.802 173.491 174.600 -0.511 0.000 1.145 83 S CA -0.539 57.516 58.200 -0.242 0.000 0.825 83 S CB 1.474 64.648 63.200 -0.043 0.000 1.107 83 S HN 0.082 nan 8.310 nan 0.000 0.461 84 V N -1.067 118.529 119.914 -0.530 0.000 3.114 84 V HA 0.840 4.960 4.120 -0.001 0.000 0.308 84 V C 0.788 176.777 176.094 -0.174 0.000 1.168 84 V CA -0.112 61.977 62.300 -0.351 0.000 1.015 84 V CB 1.280 32.855 31.823 -0.414 0.000 1.050 84 V HN 1.505 nan 8.190 nan 0.000 0.433 85 S N 0.918 116.554 115.700 -0.108 0.000 2.439 85 S HA 0.347 4.817 4.470 -0.001 0.000 0.224 85 S C 0.767 175.328 174.600 -0.065 0.000 1.029 85 S CA 0.574 58.734 58.200 -0.067 0.000 0.946 85 S CB -0.351 62.819 63.200 -0.050 0.000 0.797 85 S HN 2.341 nan 8.310 nan 0.000 0.504 86 S N -0.209 115.441 115.700 -0.084 0.000 2.597 86 S HA 0.552 5.021 4.470 -0.001 0.000 0.274 86 S C -1.436 173.068 174.600 -0.160 0.000 1.132 86 S CA -1.196 56.945 58.200 -0.097 0.000 0.835 86 S CB 0.170 63.321 63.200 -0.082 0.000 1.092 86 S HN 0.286 nan 8.310 nan 0.000 0.457 87 I N 2.620 123.041 120.570 -0.248 0.000 2.336 87 I HA 0.359 4.528 4.170 -0.001 0.000 0.292 87 I C -1.187 174.694 176.117 -0.393 0.000 0.991 87 I CA -2.608 58.371 61.300 -0.535 0.000 1.227 87 I CB 1.941 39.520 38.000 -0.703 0.000 1.366 87 I HN 0.598 nan 8.210 nan 0.000 0.466 88 P HA -0.215 nan 4.420 nan 0.000 0.219 88 P C 1.177 178.373 177.300 -0.173 0.000 1.144 88 P CA 1.378 64.316 63.100 -0.269 0.000 0.806 88 P CB 0.137 31.581 31.700 -0.426 0.000 0.771 89 S N -2.127 113.464 115.700 -0.181 0.000 2.496 89 S HA 0.269 4.738 4.470 -0.001 0.000 0.224 89 S C 1.785 176.270 174.600 -0.192 0.000 0.996 89 S CA 0.755 58.859 58.200 -0.159 0.000 0.927 89 S CB -0.790 62.211 63.200 -0.332 0.000 0.774 89 S HN 0.334 nan 8.310 nan 0.000 0.524 90 G N 0.839 109.528 108.800 -0.185 0.000 2.232 90 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.226 90 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.226 90 G C -0.285 174.541 174.900 -0.123 0.000 0.996 90 G CA 0.002 45.021 45.100 -0.135 0.000 0.626 90 G HN 0.519 nan 8.290 nan 0.000 0.509 91 D N 1.562 121.861 120.400 -0.169 0.000 2.378 91 D HA 0.509 5.148 4.640 -0.001 0.000 0.238 91 D C 1.257 177.544 176.300 -0.023 0.000 1.180 91 D CA 1.427 55.362 54.000 -0.109 0.000 0.895 91 D CB 1.146 41.795 40.800 -0.251 0.000 1.192 91 D HN 0.638 nan 8.370 nan 0.000 0.438 92 T N -3.613 110.994 114.554 0.087 0.000 2.645 92 T HA 0.584 4.934 4.350 -0.001 0.000 0.273 92 T C 0.696 175.524 174.700 0.214 0.000 0.960 92 T CA -0.352 61.822 62.100 0.124 0.000 1.051 92 T CB 1.277 70.196 68.868 0.085 0.000 1.366 92 T HN 0.547 nan 8.240 nan 0.000 0.536 93 G N 0.635 109.552 108.800 0.195 0.000 2.272 93 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.280 93 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.280 93 G C -0.213 174.827 174.900 0.234 0.000 1.067 93 G CA -0.043 45.175 45.100 0.196 0.000 0.902 93 G HN 1.086 nan 8.290 nan 0.000 0.500 94 F N 0.213 120.253 119.950 0.150 0.000 2.602 94 F HA 0.441 4.968 4.527 -0.001 0.000 0.367 94 F C 0.346 176.215 175.800 0.116 0.000 1.126 94 F CA 0.343 58.455 58.000 0.186 0.000 1.321 94 F CB 0.828 39.938 39.000 0.184 0.000 1.094 94 F HN 0.176 nan 8.300 nan 0.000 0.594 95 V N 6.386 125.686 119.914 -1.023 0.000 2.668 95 V HA 0.225 4.345 4.120 -0.001 0.000 0.304 95 V C -0.592 174.813 176.094 -1.149 0.000 1.071 95 V CA -1.299 60.449 62.300 -0.919 0.000 0.894 95 V CB 1.859 33.221 31.823 -0.768 0.000 1.008 95 V HN 0.804 nan 8.190 nan 0.000 0.425 96 K N 3.816 123.767 120.400 -0.749 0.000 2.219 96 K HA 0.405 4.724 4.320 -0.001 0.000 0.258 96 K C -0.339 176.265 176.600 0.007 0.000 1.008 96 K CA -0.328 55.837 56.287 -0.203 0.000 0.928 96 K CB 0.855 33.417 32.500 0.103 0.000 0.983 96 K HN 0.424 nan 8.250 nan 0.000 0.484 97 F N 2.124 122.045 119.950 -0.048 0.000 2.572 97 F HA -0.073 4.454 4.527 -0.000 0.000 0.370 97 F C 1.114 176.860 175.800 -0.090 0.000 1.103 97 F CA -0.597 57.374 58.000 -0.049 0.000 1.286 97 F CB 0.560 39.519 39.000 -0.067 0.000 1.105 97 F HN 0.776 nan 8.300 nan 0.000 0.583 98 N N 2.606 121.303 118.700 -0.004 0.000 2.413 98 N HA 0.360 5.099 4.740 -0.001 0.000 0.266 98 N C 0.507 175.964 175.510 -0.087 0.000 1.238 98 N CA -0.122 52.917 53.050 -0.019 0.000 0.972 98 N CB 0.499 39.008 38.487 0.036 0.000 1.210 98 N HN 0.552 nan 8.380 nan 0.000 0.547 99 A N -0.264 122.510 122.820 -0.076 0.000 1.892 99 A HA -0.280 4.039 4.320 -0.001 0.000 0.218 99 A C 1.980 179.497 177.584 -0.112 0.000 1.188 99 A CA 2.034 54.011 52.037 -0.099 0.000 0.631 99 A CB -1.239 17.723 19.000 -0.064 0.000 0.822 99 A HN 0.918 nan 8.150 nan 0.000 0.447 100 E N -0.563 119.579 120.200 -0.096 0.000 2.110 100 E HA -0.241 4.108 4.350 -0.001 0.000 0.193 100 E C 2.181 178.719 176.600 -0.104 0.000 0.988 100 E CA 1.269 57.612 56.400 -0.095 0.000 0.804 100 E CB -0.169 29.474 29.700 -0.095 0.000 0.745 100 E HN 0.773 nan 8.360 nan 0.000 0.458 101 Q N 0.142 119.847 119.800 -0.158 0.000 2.124 101 Q HA -0.147 4.192 4.340 -0.001 0.000 0.202 101 Q C 2.333 178.276 176.000 -0.095 0.000 0.977 101 Q CA 1.347 57.039 55.803 -0.185 0.000 0.850 101 Q CB -0.042 28.232 28.738 -0.772 0.000 0.901 101 Q HN 0.428 nan 8.270 nan 0.000 0.429 102 I N 0.508 120.948 120.570 -0.217 0.000 2.179 102 I HA -0.268 3.902 4.170 -0.001 0.000 0.242 102 I C 2.420 178.421 176.117 -0.194 0.000 1.088 102 I CA 1.115 62.135 61.300 -0.468 0.000 1.357 102 I CB -0.171 37.417 38.000 -0.687 0.000 1.051 102 I HN 0.195 nan 8.210 nan 0.000 0.409 103 E N 0.777 120.910 120.200 -0.112 0.000 2.077 103 E HA -0.231 4.118 4.350 -0.001 0.000 0.193 103 E C 2.184 178.785 176.600 0.002 0.000 0.989 103 E CA 1.470 57.845 56.400 -0.041 0.000 0.800 103 E CB -0.073 29.602 29.700 -0.040 0.000 0.746 103 E HN 0.313 nan 8.360 nan 0.000 0.452 104 Q N -0.297 119.522 119.800 0.033 0.000 2.119 104 Q HA -0.008 4.332 4.340 -0.001 0.000 0.201 104 Q C 2.111 178.230 176.000 0.198 0.000 0.972 104 Q CA 1.362 57.220 55.803 0.092 0.000 0.847 104 Q CB -0.439 28.325 28.738 0.044 0.000 0.903 104 Q HN 0.386 nan 8.270 nan 0.000 0.433 105 A N 1.328 124.251 122.820 0.172 0.000 1.930 105 A HA -0.179 4.141 4.320 -0.001 0.000 0.217 105 A C 2.077 179.568 177.584 -0.155 0.000 1.175 105 A CA 1.438 53.432 52.037 -0.073 0.000 0.627 105 A CB -0.273 18.425 19.000 -0.504 0.000 0.815 105 A HN 0.247 nan 8.150 nan 0.000 0.443 106 K N -0.336 120.010 120.400 -0.090 0.000 2.097 106 K HA 0.010 4.329 4.320 -0.001 0.000 0.205 106 K C 1.779 178.349 176.600 -0.049 0.000 1.050 106 K CA 1.180 57.400 56.287 -0.111 0.000 0.938 106 K CB -0.325 32.187 32.500 0.020 0.000 0.718 106 K HN 0.463 nan 8.250 nan 0.000 0.442 107 L N 0.462 121.693 121.223 0.012 0.000 2.093 107 L HA -0.162 4.177 4.340 -0.001 0.000 0.208 107 L C 2.339 179.242 176.870 0.055 0.000 1.085 107 L CA 0.960 55.832 54.840 0.053 0.000 0.755 107 L CB -0.357 41.742 42.059 0.065 0.000 0.904 107 L HN 0.107 nan 8.230 nan 0.000 0.435 108 S N 0.157 115.883 115.700 0.044 0.000 2.368 108 S HA -0.114 4.355 4.470 -0.001 0.000 0.224 108 S C 1.995 176.632 174.600 0.061 0.000 1.029 108 S CA 1.110 59.335 58.200 0.041 0.000 0.988 108 S CB -0.246 63.056 63.200 0.171 0.000 0.838 108 S HN 0.265 nan 8.310 nan 0.000 0.462 109 L N 1.338 122.539 121.223 -0.037 0.000 2.042 109 L HA -0.197 4.143 4.340 -0.001 0.000 0.210 109 L C 2.831 179.767 176.870 0.110 0.000 1.076 109 L CA 1.524 56.246 54.840 -0.196 0.000 0.749 109 L CB -0.503 41.111 42.059 -0.740 0.000 0.893 109 L HN 0.396 nan 8.230 nan 0.000 0.432 110 Q N -0.025 119.833 119.800 0.097 0.000 2.124 110 Q HA -0.223 4.116 4.340 -0.001 0.000 0.202 110 Q C 2.270 178.396 176.000 0.210 0.000 0.977 110 Q CA 2.038 57.954 55.803 0.188 0.000 0.850 110 Q CB -0.014 28.809 28.738 0.142 0.000 0.901 110 Q HN 0.587 nan 8.270 nan 0.000 0.429 111 S N -1.320 114.450 115.700 0.117 0.000 2.447 111 S HA -0.140 4.330 4.470 -0.001 0.000 0.233 111 S C 1.333 175.899 174.600 -0.057 0.000 1.006 111 S CA 0.727 58.925 58.200 -0.004 0.000 0.957 111 S CB -0.586 62.386 63.200 -0.379 0.000 0.773 111 S HN 0.591 nan 8.310 nan 0.000 0.507 112 W N 2.235 123.607 121.300 0.120 0.000 2.480 112 W HA 0.074 4.733 4.660 -0.001 0.000 0.299 112 W C 3.071 179.684 176.519 0.156 0.000 1.187 112 W CA 0.585 58.014 57.345 0.139 0.000 1.347 112 W CB -0.334 29.240 29.460 0.189 0.000 1.121 112 W HN 0.431 nan 8.180 nan 0.000 0.533 113 S N -0.467 115.525 115.700 0.485 0.000 2.474 113 S HA -0.174 4.296 4.470 -0.001 0.000 0.235 113 S C 1.223 175.946 174.600 0.205 0.000 0.997 113 S CA 1.472 59.832 58.200 0.266 0.000 0.949 113 S CB -0.450 62.906 63.200 0.261 0.000 0.766 113 S HN 0.100 nan 8.310 nan 0.000 0.517 114 D N 1.580 122.128 120.400 0.246 0.000 2.144 114 D HA -0.057 4.583 4.640 -0.001 0.000 0.200 114 D C 2.118 178.569 176.300 0.252 0.000 0.978 114 D CA 1.534 55.700 54.000 0.277 0.000 0.833 114 D CB -0.113 40.892 40.800 0.342 0.000 0.961 114 D HN 0.545 nan 8.370 nan 0.000 0.470 115 V N -2.657 117.305 119.914 0.080 0.000 3.263 115 V HA 0.506 4.625 4.120 -0.001 0.000 0.248 115 V C 0.770 176.656 176.094 -0.347 0.000 1.145 115 V CA 0.431 62.515 62.300 -0.361 0.000 1.107 115 V CB -0.022 31.621 31.823 -0.300 0.000 0.797 115 V HN 0.065 nan 8.190 nan 0.000 0.467 116 A N 0.717 123.511 122.820 -0.044 0.000 2.330 116 A HA 0.544 4.864 4.320 -0.001 0.000 0.329 116 A C -0.036 177.558 177.584 0.017 0.000 1.135 116 A CA -0.620 51.419 52.037 0.002 0.000 0.817 116 A CB 0.503 19.570 19.000 0.111 0.000 1.269 116 A HN 0.416 nan 8.150 nan 0.000 0.469 117 N N 0.732 119.457 118.700 0.041 0.000 2.819 117 N HA 0.384 5.124 4.740 -0.001 0.000 0.284 117 N C -1.145 174.329 175.510 -0.060 0.000 1.196 117 N CA 0.036 53.102 53.050 0.026 0.000 1.114 117 N CB -0.424 38.103 38.487 0.066 0.000 1.437 117 N HN 0.492 nan 8.380 nan 0.000 0.518 118 L N 0.947 122.077 121.223 -0.155 0.000 2.371 118 L HA 0.537 4.877 4.340 -0.001 0.000 0.262 118 L C -0.228 176.408 176.870 -0.391 0.000 1.006 118 L CA -0.948 53.661 54.840 -0.384 0.000 0.818 118 L CB 2.318 44.011 42.059 -0.610 0.000 1.354 118 L HN 0.218 nan 8.230 nan 0.000 0.415 119 T N -1.660 112.598 114.554 -0.494 0.000 2.886 119 T HA 0.694 5.043 4.350 -0.001 0.000 0.292 119 T C -0.941 173.487 174.700 -0.453 0.000 1.012 119 T CA -0.518 61.388 62.100 -0.323 0.000 0.982 119 T CB 1.170 69.957 68.868 -0.136 0.000 1.018 119 T HN 0.203 nan 8.240 nan 0.000 0.451 120 F N 1.292 121.278 119.950 0.060 0.000 2.467 120 F HA 0.584 5.110 4.527 -0.001 0.000 0.336 120 F C 0.516 176.478 175.800 0.271 0.000 1.123 120 F CA -0.734 57.360 58.000 0.157 0.000 0.964 120 F CB 2.568 41.626 39.000 0.096 0.000 1.136 120 F HN 0.586 nan 8.300 nan 0.000 0.447 121 T N 2.372 117.155 114.554 0.381 0.000 2.841 121 T HA 0.179 4.529 4.350 -0.001 0.000 0.285 121 T C -0.677 173.869 174.700 -0.256 0.000 0.991 121 T CA -0.774 61.396 62.100 0.116 0.000 0.966 121 T CB 1.546 70.419 68.868 0.009 0.000 0.962 121 T HN 0.542 nan 8.240 nan 0.000 0.438 122 E N 2.497 122.360 120.200 -0.561 0.000 2.338 122 E HA 0.443 4.793 4.350 -0.001 0.000 0.272 122 E C -0.333 175.979 176.600 -0.481 0.000 1.029 122 E CA -0.612 55.162 56.400 -1.043 0.000 0.872 122 E CB 0.685 29.870 29.700 -0.858 0.000 1.015 122 E HN 0.515 nan 8.360 nan 0.000 0.417 123 V N 1.030 120.678 119.914 -0.444 0.000 2.864 123 V HA 0.754 4.874 4.120 -0.001 0.000 0.314 123 V C -0.091 175.889 176.094 -0.190 0.000 1.073 123 V CA -0.423 61.731 62.300 -0.243 0.000 0.956 123 V CB 1.475 33.178 31.823 -0.199 0.000 1.023 123 V HN 0.847 nan 8.190 nan 0.000 0.435 124 T N -0.600 113.887 114.554 -0.112 0.000 2.693 124 T HA 0.923 5.272 4.350 -0.001 0.000 0.278 124 T C 0.807 175.478 174.700 -0.048 0.000 0.994 124 T CA 0.174 62.236 62.100 -0.062 0.000 1.033 124 T CB 0.990 69.840 68.868 -0.031 0.000 1.342 124 T HN 2.588 nan 8.240 nan 0.000 0.538 125 G N 1.544 110.330 108.800 -0.023 0.000 2.583 125 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.292 125 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.292 125 G C 0.417 175.301 174.900 -0.028 0.000 1.203 125 G CA 0.688 45.776 45.100 -0.020 0.000 0.987 125 G HN 0.947 nan 8.290 nan 0.000 0.554 126 N N 1.313 119.995 118.700 -0.030 0.000 2.353 126 N HA 0.161 4.901 4.740 -0.001 0.000 0.185 126 N C 0.671 176.154 175.510 -0.045 0.000 1.098 126 N CA 0.716 53.746 53.050 -0.034 0.000 0.872 126 N CB 0.201 38.672 38.487 -0.027 0.000 0.970 126 N HN 0.593 nan 8.380 nan 0.000 0.467 127 K N 1.191 121.559 120.400 -0.054 0.000 2.436 127 K HA 0.079 4.398 4.320 -0.001 0.000 0.275 127 K C 0.491 177.044 176.600 -0.079 0.000 0.999 127 K CA -0.029 56.218 56.287 -0.066 0.000 0.980 127 K CB 0.458 32.913 32.500 -0.077 0.000 0.919 127 K HN 0.159 nan 8.250 nan 0.000 0.484 128 S N 0.911 116.564 115.700 -0.079 0.000 2.614 128 S HA 0.611 5.080 4.470 -0.001 0.000 0.265 128 S C -0.209 174.319 174.600 -0.121 0.000 1.303 128 S CA -0.927 57.221 58.200 -0.088 0.000 1.000 128 S CB 1.498 64.654 63.200 -0.073 0.000 0.935 128 S HN 0.667 nan 8.310 nan 0.000 0.551 129 A N 0.829 123.565 122.820 -0.140 0.000 2.539 129 A HA 0.617 4.936 4.320 -0.001 0.000 0.296 129 A C 0.259 177.704 177.584 -0.231 0.000 1.073 129 A CA -1.046 50.879 52.037 -0.186 0.000 0.700 129 A CB 0.723 19.610 19.000 -0.188 0.000 1.296 129 A HN 0.868 nan 8.150 nan 0.000 0.405 130 N N -0.163 118.316 118.700 -0.369 0.000 2.106 130 N HA 0.052 4.791 4.740 -0.001 0.000 0.188 130 N C -0.039 175.260 175.510 -0.352 0.000 1.029 130 N CA 1.256 53.877 53.050 -0.715 0.000 0.848 130 N CB -0.029 37.694 38.487 -1.272 0.000 1.007 130 N HN 0.653 nan 8.380 nan 0.000 0.423 131 I N 0.504 120.930 120.570 -0.240 0.000 2.433 131 I HA 0.249 4.419 4.170 -0.001 0.000 0.292 131 I C -0.450 175.470 176.117 -0.329 0.000 1.001 131 I CA -0.710 60.462 61.300 -0.214 0.000 1.119 131 I CB 1.922 39.800 38.000 -0.204 0.000 1.289 131 I HN 0.038 nan 8.210 nan 0.000 0.438 132 T N 1.900 116.155 114.554 -0.498 0.000 2.924 132 T HA 0.729 5.079 4.350 -0.001 0.000 0.291 132 T C -0.851 173.307 174.700 -0.903 0.000 1.045 132 T CA -0.664 61.119 62.100 -0.528 0.000 1.015 132 T CB 1.756 70.404 68.868 -0.366 0.000 1.103 132 T HN 0.176 nan 8.240 nan 0.000 0.496 133 F N -0.005 119.594 119.950 -0.586 0.000 2.540 133 F HA 0.821 5.348 4.527 -0.001 0.000 0.317 133 F C 0.720 176.123 175.800 -0.662 0.000 1.104 133 F CA -0.397 57.149 58.000 -0.757 0.000 0.913 133 F CB 2.724 40.986 39.000 -1.232 0.000 1.170 133 F HN 1.178 nan 8.300 nan 0.000 0.450 134 G N 1.881 110.560 108.800 -0.202 0.000 2.632 134 G HA2 0.376 4.336 3.960 -0.001 0.000 0.292 134 G HA3 0.376 4.336 3.960 -0.001 0.000 0.292 134 G C -2.062 173.246 174.900 0.681 0.000 1.465 134 G CA -0.985 44.304 45.100 0.315 0.000 0.824 134 G HN 0.430 nan 8.290 nan 0.000 0.509 135 N N -0.719 118.280 118.700 0.499 0.000 2.443 135 N HA 0.698 5.438 4.740 -0.001 0.000 0.293 135 N C -1.138 174.613 175.510 0.401 0.000 1.159 135 N CA -0.284 53.027 53.050 0.434 0.000 0.904 135 N CB 2.124 40.716 38.487 0.175 0.000 1.214 135 N HN 0.686 nan 8.380 nan 0.000 0.513 136 Y N -2.839 117.658 120.300 0.328 0.000 2.605 136 Y HA 0.639 5.189 4.550 -0.001 0.000 0.343 136 Y C 0.554 176.591 175.900 0.228 0.000 1.036 136 Y CA -0.906 57.352 58.100 0.262 0.000 1.065 136 Y CB 1.168 39.788 38.460 0.266 0.000 1.288 136 Y HN 0.519 nan 8.280 nan 0.000 0.481 137 T N -2.570 112.156 114.554 0.287 0.000 3.131 137 T HA 0.500 4.850 4.350 -0.001 0.000 0.283 137 T C 0.037 174.881 174.700 0.239 0.000 0.906 137 T CA -0.374 61.840 62.100 0.189 0.000 0.882 137 T CB 0.106 69.067 68.868 0.155 0.000 1.208 137 T HN 0.693 nan 8.240 nan 0.000 0.561 138 R N 1.430 122.107 120.500 0.296 0.000 2.799 138 R HA 0.601 4.941 4.340 -0.001 0.000 0.270 138 R C -1.472 174.943 176.300 0.192 0.000 1.010 138 R CA -0.862 55.363 56.100 0.209 0.000 0.916 138 R CB 1.216 31.604 30.300 0.146 0.000 1.228 138 R HN 0.269 nan 8.270 nan 0.000 0.469 139 D N 0.282 120.750 120.400 0.113 0.000 2.478 139 D HA 0.254 4.894 4.640 -0.001 0.000 0.269 139 D C 0.835 177.151 176.300 0.027 0.000 1.232 139 D CA -0.516 53.516 54.000 0.053 0.000 1.059 139 D CB 0.299 41.114 40.800 0.026 0.000 1.104 139 D HN 0.464 nan 8.370 nan 0.000 0.566 140 A N -0.452 122.363 122.820 -0.009 0.000 2.019 140 A HA -0.114 4.206 4.320 -0.001 0.000 0.219 140 A C 1.997 179.582 177.584 0.000 0.000 1.164 140 A CA 1.435 53.464 52.037 -0.015 0.000 0.644 140 A CB -0.882 18.096 19.000 -0.036 0.000 0.805 140 A HN 0.435 nan 8.150 nan 0.000 0.449 141 S N -1.695 114.008 115.700 0.006 0.000 2.561 141 S HA 0.315 4.784 4.470 -0.001 0.000 0.225 141 S C 1.460 176.074 174.600 0.024 0.000 0.977 141 S CA 0.877 59.083 58.200 0.011 0.000 0.926 141 S CB -0.023 63.182 63.200 0.008 0.000 0.769 141 S HN 1.615 nan 8.310 nan 0.000 0.533 142 G N 1.923 110.744 108.800 0.035 0.000 2.141 142 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.242 142 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.242 142 G C -0.298 174.636 174.900 0.057 0.000 0.982 142 G CA -0.432 44.698 45.100 0.049 0.000 0.662 142 G HN 0.444 nan 8.290 nan 0.000 0.527 143 N N 0.040 118.772 118.700 0.053 0.000 2.498 143 N HA 0.497 5.236 4.740 -0.001 0.000 0.287 143 N C 0.245 175.801 175.510 0.076 0.000 1.097 143 N CA -0.642 52.442 53.050 0.057 0.000 0.973 143 N CB 1.758 40.268 38.487 0.038 0.000 1.153 143 N HN 0.254 nan 8.380 nan 0.000 0.472 144 L N 1.495 122.774 121.223 0.093 0.000 2.540 144 L HA -0.022 4.317 4.340 -0.001 0.000 0.276 144 L C 0.134 177.061 176.870 0.095 0.000 1.212 144 L CA 0.632 55.546 54.840 0.124 0.000 0.893 144 L CB 0.052 42.208 42.059 0.162 0.000 1.138 144 L HN 0.461 nan 8.230 nan 0.000 0.491 145 D N 3.489 123.961 120.400 0.121 0.000 2.453 145 D HA 0.164 4.804 4.640 -0.001 0.000 0.238 145 D C -0.320 176.048 176.300 0.113 0.000 1.088 145 D CA -0.311 53.731 54.000 0.070 0.000 0.854 145 D CB 0.541 41.453 40.800 0.187 0.000 1.076 145 D HN 0.462 nan 8.370 nan 0.000 0.533 146 Y N 1.813 122.167 120.300 0.091 0.000 2.531 146 Y HA 0.524 5.074 4.550 -0.000 0.000 0.249 146 Y C 1.327 177.267 175.900 0.066 0.000 1.168 146 Y CA -0.432 57.706 58.100 0.064 0.000 1.226 146 Y CB 0.373 38.858 38.460 0.041 0.000 1.177 146 Y HN 0.245 nan 8.280 nan 0.000 0.527 147 G N 0.696 109.462 108.800 -0.055 0.000 2.559 147 G HA2 0.038 3.997 3.960 -0.001 0.000 0.209 147 G HA3 0.038 3.997 3.960 -0.001 0.000 0.209 147 G C 0.755 175.713 174.900 0.096 0.000 1.151 147 G CA 0.596 45.703 45.100 0.012 0.000 0.824 147 G HN 0.443 nan 8.290 nan 0.000 0.543 148 T N -1.882 112.758 114.554 0.143 0.000 2.766 148 T HA 0.421 4.771 4.350 -0.001 0.000 0.295 148 T C 0.871 175.722 174.700 0.253 0.000 1.024 148 T CA 0.378 62.613 62.100 0.225 0.000 1.018 148 T CB 1.987 71.060 68.868 0.342 0.000 1.002 148 T HN 0.173 nan 8.240 nan 0.000 0.532 149 Q N 0.590 120.565 119.800 0.292 0.000 2.642 149 Q HA 0.641 4.980 4.340 -0.001 0.000 0.202 149 Q C 0.055 176.255 176.000 0.333 0.000 0.845 149 Q CA 0.749 56.716 55.803 0.273 0.000 0.873 149 Q CB 0.326 29.214 28.738 0.249 0.000 1.190 149 Q HN 1.173 nan 8.270 nan 0.000 0.642 150 A N -1.287 121.744 122.820 0.351 0.000 2.515 150 A HA 0.630 4.950 4.320 -0.001 0.000 0.292 150 A C -1.912 175.841 177.584 0.281 0.000 1.065 150 A CA -0.213 51.962 52.037 0.230 0.000 0.641 150 A CB 0.406 19.498 19.000 0.155 0.000 1.306 150 A HN 0.573 nan 8.150 nan 0.000 0.441 151 Y N -3.367 117.008 120.300 0.125 0.000 2.713 151 Y HA 0.883 5.432 4.550 -0.001 0.000 0.335 151 Y C -0.483 175.436 175.900 0.032 0.000 1.222 151 Y CA -0.759 57.387 58.100 0.078 0.000 1.061 151 Y CB 0.637 39.091 38.460 -0.009 0.000 1.314 151 Y HN 2.023 nan 8.280 nan 0.000 0.453 152 A N 0.414 123.298 122.820 0.107 0.000 2.602 152 A HA 0.821 5.140 4.320 -0.001 0.000 0.290 152 A C -2.560 174.887 177.584 -0.228 0.000 1.114 152 A CA -1.010 51.058 52.037 0.052 0.000 0.683 152 A CB 1.236 20.281 19.000 0.074 0.000 1.281 152 A HN 0.703 nan 8.150 nan 0.000 0.416 153 Y N -0.267 120.059 120.300 0.043 0.000 2.393 153 Y HA 0.520 5.070 4.550 -0.001 0.000 0.341 153 Y C -0.022 175.890 175.900 0.020 0.000 0.988 153 Y CA -0.308 57.801 58.100 0.016 0.000 1.078 153 Y CB 1.131 39.719 38.460 0.214 0.000 1.203 153 Y HN 0.641 nan 8.280 nan 0.000 0.453 154 Y N 3.337 123.729 120.300 0.155 0.000 2.607 154 Y HA 0.048 4.597 4.550 -0.001 0.000 0.348 154 Y C -1.767 174.032 175.900 -0.168 0.000 1.261 154 Y CA -1.751 56.342 58.100 -0.011 0.000 1.480 154 Y CB 0.028 38.470 38.460 -0.030 0.000 1.358 154 Y HN 0.363 nan 8.280 nan 0.000 0.630 155 P HA 0.210 nan 4.420 nan 0.000 0.270 155 P C -0.194 176.733 177.300 -0.621 0.000 1.223 155 P CA 0.343 62.709 63.100 -1.225 0.000 0.785 155 P CB 0.783 31.438 31.700 -1.741 0.000 0.923 156 G N 1.108 109.517 108.800 -0.652 0.000 2.324 156 G HA2 0.174 4.133 3.960 -0.001 0.000 0.293 156 G HA3 0.174 4.133 3.960 -0.001 0.000 0.293 156 G C -0.619 174.183 174.900 -0.162 0.000 1.297 156 G CA -0.540 44.431 45.100 -0.215 0.000 0.853 156 G HN 0.482 nan 8.290 nan 0.000 0.535 157 N N -1.186 117.504 118.700 -0.016 0.000 2.236 157 N HA 0.180 4.920 4.740 -0.001 0.000 0.196 157 N C 0.438 175.951 175.510 0.005 0.000 1.114 157 N CA 0.085 53.139 53.050 0.007 0.000 0.859 157 N CB -0.203 38.314 38.487 0.049 0.000 0.982 157 N HN 0.750 nan 8.380 nan 0.000 0.493 158 Y N -0.766 119.543 120.300 0.016 0.000 2.298 158 Y HA 0.487 5.036 4.550 -0.001 0.000 0.329 158 Y C 0.767 176.665 175.900 -0.004 0.000 1.293 158 Y CA -1.674 56.427 58.100 0.001 0.000 1.388 158 Y CB 0.259 38.716 38.460 -0.006 0.000 1.309 158 Y HN -0.134 nan 8.280 nan 0.000 0.544 159 Q N 1.607 121.487 119.800 0.134 0.000 2.247 159 Q HA 0.335 4.674 4.340 -0.001 0.000 0.288 159 Q C 0.900 176.893 176.000 -0.012 0.000 1.079 159 Q CA 1.463 57.283 55.803 0.028 0.000 0.932 159 Q CB 0.005 28.763 28.738 0.034 0.000 1.133 159 Q HN 1.209 nan 8.270 nan 0.000 0.377 160 G N 2.456 111.189 108.800 -0.111 0.000 2.175 160 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.244 160 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.244 160 G C 0.207 174.980 174.900 -0.212 0.000 0.982 160 G CA -0.056 44.954 45.100 -0.151 0.000 0.641 160 G HN 1.146 nan 8.290 nan 0.000 0.527 161 A N 0.073 122.590 122.820 -0.506 0.000 2.548 161 A HA 0.602 4.922 4.320 -0.001 0.000 0.247 161 A C 2.094 179.663 177.584 -0.025 0.000 1.067 161 A CA 2.053 53.703 52.037 -0.644 0.000 0.757 161 A CB -0.215 18.121 19.000 -1.106 0.000 0.996 161 A HN 2.407 nan 8.150 nan 0.000 0.504 162 G N 1.715 110.592 108.800 0.128 0.000 2.179 162 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.260 162 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.260 162 G C 0.546 175.497 174.900 0.084 0.000 0.977 162 G CA 0.804 46.086 45.100 0.302 0.000 0.641 162 G HN 2.168 nan 8.290 nan 0.000 0.533 163 S N 0.063 115.806 115.700 0.072 0.000 2.565 163 S HA 0.704 5.173 4.470 -0.001 0.000 0.274 163 S C 0.207 174.682 174.600 -0.208 0.000 1.309 163 S CA 0.605 58.725 58.200 -0.132 0.000 1.043 163 S CB 1.904 65.160 63.200 0.094 0.000 0.939 163 S HN 1.823 nan 8.310 nan 0.000 0.504 164 S N 1.855 117.117 115.700 -0.730 0.000 2.513 164 S HA 0.776 5.246 4.470 -0.001 0.000 0.299 164 S C -1.469 172.481 174.600 -1.085 0.000 1.087 164 S CA -0.959 56.849 58.200 -0.653 0.000 1.012 164 S CB 0.280 63.212 63.200 -0.446 0.000 1.044 164 S HN 0.843 nan 8.310 nan 0.000 0.485 165 W N 0.870 121.807 121.300 -0.605 0.000 2.915 165 W HA 0.683 5.343 4.660 -0.001 0.000 0.337 165 W C -1.604 174.488 176.519 -0.712 0.000 1.102 165 W CA -0.743 56.320 57.345 -0.469 0.000 1.224 165 W CB 1.252 30.416 29.460 -0.493 0.000 1.416 165 W HN 0.672 nan 8.180 nan 0.000 0.503 166 Y N 0.994 121.588 120.300 0.491 0.000 2.512 166 Y HA 0.297 4.846 4.550 -0.001 0.000 0.348 166 Y C 0.075 175.894 175.900 -0.136 0.000 0.990 166 Y CA -1.587 56.698 58.100 0.309 0.000 1.033 166 Y CB 1.371 40.060 38.460 0.382 0.000 1.259 166 Y HN 0.305 nan 8.280 nan 0.000 0.461 167 N N 1.640 120.212 118.700 -0.214 0.000 2.402 167 N HA -0.040 4.699 4.740 -0.001 0.000 0.252 167 N C 0.280 175.728 175.510 -0.103 0.000 1.118 167 N CA 0.207 52.925 53.050 -0.554 0.000 0.945 167 N CB 0.078 38.416 38.487 -0.247 0.000 1.147 167 N HN 0.754 nan 8.380 nan 0.000 0.495 168 Y N 3.506 123.687 120.300 -0.199 0.000 2.569 168 Y HA -0.002 4.548 4.550 -0.001 0.000 0.293 168 Y C 1.231 177.100 175.900 -0.051 0.000 1.144 168 Y CA 1.091 59.141 58.100 -0.083 0.000 1.321 168 Y CB 0.111 38.531 38.460 -0.066 0.000 0.982 168 Y HN 0.577 nan 8.280 nan 0.000 0.558 169 N N -0.124 118.582 118.700 0.010 0.000 2.461 169 N HA -0.052 4.687 4.740 -0.001 0.000 0.188 169 N C -0.209 175.288 175.510 -0.021 0.000 1.134 169 N CA 0.504 53.560 53.050 0.011 0.000 0.878 169 N CB 0.050 38.598 38.487 0.101 0.000 0.972 169 N HN 0.364 nan 8.380 nan 0.000 0.456 170 Q N 0.411 120.181 119.800 -0.049 0.000 2.303 170 Q HA 0.153 4.492 4.340 -0.001 0.000 0.257 170 Q C 1.085 177.017 176.000 -0.113 0.000 0.941 170 Q CA -0.135 55.648 55.803 -0.034 0.000 0.931 170 Q CB 1.682 30.433 28.738 0.022 0.000 1.215 170 Q HN 0.214 nan 8.270 nan 0.000 0.437 171 S N 2.756 118.393 115.700 -0.105 0.000 2.400 171 S HA -0.255 4.215 4.470 -0.001 0.000 0.232 171 S C 1.285 175.801 174.600 -0.141 0.000 1.025 171 S CA 1.755 59.870 58.200 -0.141 0.000 0.993 171 S CB -0.199 62.939 63.200 -0.104 0.000 0.808 171 S HN 0.766 nan 8.310 nan 0.000 0.478 172 N N 1.683 120.327 118.700 -0.092 0.000 2.289 172 N HA -0.060 4.680 4.740 -0.001 0.000 0.184 172 N C 1.563 176.965 175.510 -0.179 0.000 1.016 172 N CA 1.328 54.318 53.050 -0.100 0.000 0.872 172 N CB -0.422 38.060 38.487 -0.008 0.000 0.973 172 N HN 0.387 nan 8.380 nan 0.000 0.433 173 I N 0.527 121.009 120.570 -0.146 0.000 2.406 173 I HA -0.026 4.143 4.170 -0.001 0.000 0.249 173 I C 2.189 178.168 176.117 -0.231 0.000 1.122 173 I CA 0.842 62.053 61.300 -0.148 0.000 1.431 173 I CB -0.749 37.260 38.000 0.015 0.000 1.087 173 I HN 0.277 nan 8.210 nan 0.000 0.424 174 R N 1.010 121.325 120.500 -0.309 0.000 2.153 174 R HA 0.007 4.346 4.340 -0.001 0.000 0.218 174 R C 0.137 176.280 176.300 -0.260 0.000 1.072 174 R CA 0.702 56.566 56.100 -0.392 0.000 0.990 174 R CB -0.014 29.945 30.300 -0.569 0.000 0.889 174 R HN 0.375 nan 8.270 nan 0.000 0.452 175 N N 0.928 119.490 118.700 -0.231 0.000 2.735 175 N HA 0.113 4.853 4.740 -0.001 0.000 0.312 175 N C -2.198 173.186 175.510 -0.210 0.000 1.843 175 N CA -1.097 51.841 53.050 -0.186 0.000 0.945 175 N CB 1.185 39.586 38.487 -0.143 0.000 1.299 175 N HN 0.087 nan 8.380 nan 0.000 0.489 176 P HA -0.080 nan 4.420 nan 0.000 0.225 176 P C 1.294 178.442 177.300 -0.254 0.000 1.148 176 P CA 0.913 63.772 63.100 -0.402 0.000 0.779 176 P CB 0.225 31.462 31.700 -0.771 0.000 0.780 177 G N 0.269 108.966 108.800 -0.172 0.000 2.623 177 G HA2 -0.095 3.865 3.960 -0.001 0.000 0.214 177 G HA3 -0.095 3.865 3.960 -0.001 0.000 0.214 177 G C 1.477 176.332 174.900 -0.074 0.000 1.138 177 G CA 0.805 45.841 45.100 -0.107 0.000 0.794 177 G HN 0.467 nan 8.290 nan 0.000 0.535 178 S N -0.856 114.797 115.700 -0.079 0.000 2.549 178 S HA 0.235 4.705 4.470 -0.001 0.000 0.225 178 S C 0.409 174.988 174.600 -0.034 0.000 1.039 178 S CA -0.353 57.819 58.200 -0.046 0.000 0.942 178 S CB 0.447 63.619 63.200 -0.047 0.000 0.881 178 S HN 0.300 nan 8.310 nan 0.000 0.503 179 E N 1.699 121.862 120.200 -0.062 0.000 2.183 179 E HA 0.293 4.642 4.350 -0.001 0.000 0.250 179 E C -0.303 176.273 176.600 -0.039 0.000 0.901 179 E CA -0.279 56.100 56.400 -0.036 0.000 0.741 179 E CB 1.158 30.822 29.700 -0.059 0.000 1.182 179 E HN 0.372 nan 8.360 nan 0.000 0.425 180 E N 1.116 121.344 120.200 0.046 0.000 2.208 180 E HA -0.279 4.071 4.350 -0.001 0.000 0.202 180 E C 1.185 177.784 176.600 -0.003 0.000 1.014 180 E CA 1.307 57.755 56.400 0.080 0.000 0.819 180 E CB -0.074 29.779 29.700 0.256 0.000 0.735 180 E HN 0.529 nan 8.360 nan 0.000 0.469 181 Y N 0.871 121.021 120.300 -0.250 0.000 2.293 181 Y HA -0.096 4.453 4.550 -0.001 0.000 0.291 181 Y C 2.252 177.935 175.900 -0.362 0.000 1.137 181 Y CA 1.367 59.144 58.100 -0.539 0.000 1.202 181 Y CB -0.539 37.529 38.460 -0.653 0.000 0.990 181 Y HN -0.013 nan 8.280 nan 0.000 0.537 182 G N -0.135 108.473 108.800 -0.320 0.000 2.433 182 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.216 182 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.216 182 G C 1.744 176.184 174.900 -0.766 0.000 1.186 182 G CA 1.027 45.809 45.100 -0.530 0.000 0.779 182 G HN 0.322 nan 8.290 nan 0.000 0.543 183 R N 0.561 120.722 120.500 -0.565 0.000 2.091 183 R HA -0.076 4.263 4.340 -0.001 0.000 0.238 183 R C 2.532 178.679 176.300 -0.255 0.000 1.136 183 R CA 2.213 58.054 56.100 -0.431 0.000 0.959 183 R CB -0.849 29.317 30.300 -0.223 0.000 0.856 183 R HN 0.500 nan 8.270 nan 0.000 0.437 184 Q N -0.844 118.793 119.800 -0.272 0.000 2.124 184 Q HA -0.127 4.213 4.340 -0.001 0.000 0.202 184 Q C 1.470 177.366 176.000 -0.174 0.000 0.977 184 Q CA 2.290 57.956 55.803 -0.228 0.000 0.850 184 Q CB -0.126 28.431 28.738 -0.302 0.000 0.901 184 Q HN 0.418 nan 8.270 nan 0.000 0.429 185 T N 0.541 114.904 114.554 -0.319 0.000 2.788 185 T HA -0.110 4.239 4.350 -0.001 0.000 0.268 185 T C 1.210 176.158 174.700 0.413 0.000 1.044 185 T CA 1.095 63.152 62.100 -0.073 0.000 1.139 185 T CB -0.266 68.508 68.868 -0.157 0.000 0.867 185 T HN 0.239 nan 8.240 nan 0.000 0.454 186 F N 2.092 122.118 119.950 0.127 0.000 2.102 186 F HA -0.088 4.438 4.527 -0.001 0.000 0.298 186 F C 2.834 178.817 175.800 0.304 0.000 1.105 186 F CA 0.802 58.946 58.000 0.239 0.000 1.239 186 F CB -1.736 37.304 39.000 0.067 0.000 0.991 186 F HN 0.146 nan 8.300 nan 0.000 0.474 187 T N -1.687 113.110 114.554 0.404 0.000 2.746 187 T HA -0.245 4.105 4.350 -0.001 0.000 0.267 187 T C 1.772 176.785 174.700 0.522 0.000 1.039 187 T CA 1.812 64.143 62.100 0.386 0.000 1.142 187 T CB -0.568 68.334 68.868 0.055 0.000 0.866 187 T HN 0.368 nan 8.240 nan 0.000 0.444 188 H N 1.332 120.569 119.070 0.278 0.000 2.293 188 H HA -0.061 4.494 4.556 -0.001 0.000 0.300 188 H C 2.303 177.728 175.328 0.162 0.000 1.082 188 H CA 1.685 57.860 56.048 0.212 0.000 1.308 188 H CB 0.074 29.929 29.762 0.155 0.000 1.375 188 H HN 0.120 nan 8.280 nan 0.000 0.495 189 E N 0.502 120.963 120.200 0.435 0.000 2.110 189 E HA -0.138 4.212 4.350 -0.001 0.000 0.193 189 E C 2.544 179.254 176.600 0.184 0.000 0.988 189 E CA 1.086 57.693 56.400 0.345 0.000 0.804 189 E CB -0.253 29.675 29.700 0.380 0.000 0.745 189 E HN 0.631 nan 8.360 nan 0.000 0.458 190 I N 0.883 121.587 120.570 0.222 0.000 2.361 190 I HA -0.174 3.996 4.170 -0.001 0.000 0.251 190 I C 2.410 178.448 176.117 -0.132 0.000 1.133 190 I CA 1.124 62.466 61.300 0.070 0.000 1.413 190 I CB -0.522 37.592 38.000 0.190 0.000 1.073 190 I HN 0.109 nan 8.210 nan 0.000 0.424 191 G N 0.217 108.943 108.800 -0.123 0.000 2.446 191 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.217 191 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.217 191 G C 1.515 176.279 174.900 -0.227 0.000 1.168 191 G CA 0.741 45.601 45.100 -0.399 0.000 0.771 191 G HN 0.346 nan 8.290 nan 0.000 0.551 192 H N 0.844 119.871 119.070 -0.071 0.000 2.353 192 H HA 0.032 4.587 4.556 -0.001 0.000 0.300 192 H C 2.926 178.292 175.328 0.064 0.000 1.090 192 H CA 1.160 57.212 56.048 0.006 0.000 1.327 192 H CB -0.674 29.030 29.762 -0.097 0.000 1.383 192 H HN 0.374 nan 8.280 nan 0.000 0.508 193 A N 0.601 123.510 122.820 0.147 0.000 2.178 193 A HA -0.058 4.261 4.320 -0.001 0.000 0.218 193 A C 2.399 180.121 177.584 0.229 0.000 1.157 193 A CA 0.845 52.978 52.037 0.159 0.000 0.689 193 A CB -0.586 18.465 19.000 0.085 0.000 0.787 193 A HN 0.315 nan 8.150 nan 0.000 0.465 194 L N -2.534 118.749 121.223 0.100 0.000 2.590 194 L HA 0.286 4.626 4.340 -0.001 0.000 0.227 194 L C 1.615 178.530 176.870 0.075 0.000 1.099 194 L CA 0.646 55.572 54.840 0.142 0.000 0.872 194 L CB 0.344 42.355 42.059 -0.080 0.000 1.088 194 L HN 0.531 nan 8.230 nan 0.000 0.479 195 G N -0.134 108.671 108.800 0.007 0.000 2.205 195 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.180 195 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.180 195 G C 0.101 174.938 174.900 -0.106 0.000 1.004 195 G CA -0.620 44.416 45.100 -0.106 0.000 0.670 195 G HN 0.072 nan 8.290 nan 0.000 0.496 196 L N 1.139 122.359 121.223 -0.005 0.000 2.371 196 L HA 0.727 5.067 4.340 -0.001 0.000 0.272 196 L C 0.833 177.809 176.870 0.177 0.000 1.124 196 L CA -0.065 54.782 54.840 0.012 0.000 0.816 196 L CB 1.421 43.450 42.059 -0.049 0.000 1.129 196 L HN 0.330 nan 8.230 nan 0.000 0.448 197 A N 1.529 124.420 122.820 0.118 0.000 2.344 197 A HA 0.540 4.859 4.320 -0.001 0.000 0.307 197 A C -0.692 176.967 177.584 0.126 0.000 1.151 197 A CA -0.643 51.496 52.037 0.170 0.000 0.842 197 A CB 0.550 19.587 19.000 0.061 0.000 1.350 197 A HN 0.793 nan 8.150 nan 0.000 0.459 198 H N 0.108 119.214 119.070 0.061 0.000 2.790 198 H HA 0.113 4.669 4.556 -0.001 0.000 0.358 198 H C -1.598 173.661 175.328 -0.114 0.000 1.103 198 H CA -1.400 54.580 56.048 -0.113 0.000 1.426 198 H CB 0.515 29.989 29.762 -0.480 0.000 1.424 198 H HN 0.370 nan 8.280 nan 0.000 0.599 199 P HA -0.074 nan 4.420 nan 0.000 0.226 199 P C 0.188 177.576 177.300 0.147 0.000 1.146 199 P CA 1.068 64.308 63.100 0.234 0.000 0.773 199 P CB 0.473 32.342 31.700 0.282 0.000 0.772 200 G N -1.395 107.296 108.800 -0.181 0.000 2.695 200 G HA2 0.285 4.245 3.960 -0.001 0.000 0.290 200 G HA3 0.285 4.245 3.960 -0.001 0.000 0.290 200 G C -1.261 173.321 174.900 -0.530 0.000 1.410 200 G CA -0.444 44.535 45.100 -0.202 0.000 0.844 200 G HN -0.320 nan 8.290 nan 0.000 0.478 201 E N 0.900 121.005 120.200 -0.159 0.000 1.881 201 E HA 0.288 4.637 4.350 -0.001 0.000 0.264 201 E C -1.128 175.509 176.600 0.061 0.000 1.243 201 E CA 0.309 56.659 56.400 -0.083 0.000 0.965 201 E CB -0.206 29.506 29.700 0.019 0.000 1.055 201 E HN 0.473 nan 8.360 nan 0.000 0.412 202 Y N -0.340 120.049 120.300 0.147 0.000 2.573 202 Y HA 0.563 5.113 4.550 -0.001 0.000 0.328 202 Y C -1.001 175.025 175.900 0.211 0.000 1.170 202 Y CA -1.336 56.876 58.100 0.188 0.000 1.078 202 Y CB 1.253 39.874 38.460 0.269 0.000 1.341 202 Y HN 0.090 nan 8.280 nan 0.000 0.459 203 N N 0.879 119.900 118.700 0.534 0.000 2.504 203 N HA 0.622 5.362 4.740 -0.001 0.000 0.268 203 N C -1.256 174.559 175.510 0.507 0.000 1.184 203 N CA -0.033 53.351 53.050 0.558 0.000 0.875 203 N CB 2.764 41.422 38.487 0.285 0.000 1.630 203 N HN 1.253 nan 8.380 nan 0.000 0.486 204 A N 0.534 123.659 122.820 0.508 0.000 2.520 204 A HA 0.459 4.778 4.320 -0.001 0.000 0.235 204 A C 1.431 179.106 177.584 0.152 0.000 1.065 204 A CA 1.436 53.607 52.037 0.224 0.000 0.764 204 A CB -0.640 18.447 19.000 0.144 0.000 1.002 204 A HN 1.403 nan 8.150 nan 0.000 0.502 205 G N 0.818 109.677 108.800 0.098 0.000 2.579 205 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.222 205 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.222 205 G C 0.204 175.144 174.900 0.066 0.000 1.201 205 G CA 0.419 45.555 45.100 0.060 0.000 0.710 205 G HN 0.914 nan 8.290 nan 0.000 0.516 206 E N 2.191 122.451 120.200 0.100 0.000 2.081 206 E HA 0.420 4.770 4.350 -0.001 0.000 0.270 206 E C 1.324 177.991 176.600 0.111 0.000 1.180 206 E CA 0.340 56.799 56.400 0.098 0.000 0.926 206 E CB 0.162 29.935 29.700 0.121 0.000 1.035 206 E HN 1.295 nan 8.360 nan 0.000 0.418 207 G N 4.606 113.451 108.800 0.076 0.000 2.594 207 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.297 207 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.297 207 G C -0.248 174.700 174.900 0.080 0.000 1.273 207 G CA 0.361 45.502 45.100 0.069 0.000 0.974 207 G HN 0.755 nan 8.290 nan 0.000 0.552 208 D N 0.466 120.914 120.400 0.079 0.000 2.552 208 D HA 0.387 5.026 4.640 -0.001 0.000 0.285 208 D C -2.029 174.325 176.300 0.089 0.000 1.206 208 D CA -0.825 53.222 54.000 0.078 0.000 0.826 208 D CB 0.888 41.713 40.800 0.040 0.000 1.179 208 D HN 0.575 nan 8.370 nan 0.000 0.508 209 P HA 0.226 nan 4.420 nan 0.000 0.271 209 P C -0.087 177.247 177.300 0.057 0.000 1.233 209 P CA -0.041 63.165 63.100 0.177 0.000 0.789 209 P CB 1.215 33.139 31.700 0.373 0.000 0.951 210 S N -0.869 114.606 115.700 -0.374 0.000 2.688 210 S HA 0.157 4.626 4.470 -0.001 0.000 0.275 210 S C 0.539 174.118 174.600 -1.701 0.000 1.175 210 S CA -0.635 56.926 58.200 -1.065 0.000 0.818 210 S CB 0.423 63.326 63.200 -0.496 0.000 1.157 210 S HN 0.439 nan 8.310 nan 0.000 0.482 211 Y N 1.915 121.070 120.300 -1.908 0.000 2.315 211 Y HA -0.076 4.474 4.550 -0.001 0.000 0.288 211 Y C 1.837 177.303 175.900 -0.722 0.000 1.154 211 Y CA 2.081 59.264 58.100 -1.530 0.000 1.229 211 Y CB -0.623 37.303 38.460 -0.889 0.000 0.980 211 Y HN 0.672 nan 8.280 nan 0.000 0.540 212 N N 0.341 118.691 118.700 -0.584 0.000 2.289 212 N HA -0.161 4.579 4.740 -0.001 0.000 0.184 212 N C 0.778 176.071 175.510 -0.360 0.000 1.016 212 N CA 1.513 54.316 53.050 -0.411 0.000 0.872 212 N CB -0.260 38.078 38.487 -0.249 0.000 0.973 212 N HN 0.498 nan 8.380 nan 0.000 0.433 213 D N 0.670 120.864 120.400 -0.344 0.000 2.355 213 D HA 0.078 4.718 4.640 -0.001 0.000 0.218 213 D C 0.491 176.757 176.300 -0.057 0.000 1.004 213 D CA 0.025 53.945 54.000 -0.133 0.000 0.880 213 D CB -0.075 40.723 40.800 -0.004 0.000 0.911 213 D HN 0.121 nan 8.370 nan 0.000 0.528 214 A N 0.637 123.314 122.820 -0.238 0.000 2.546 214 A HA 0.090 4.410 4.320 -0.001 0.000 0.243 214 A C 1.643 179.140 177.584 -0.145 0.000 1.063 214 A CA -0.194 51.761 52.037 -0.138 0.000 0.757 214 A CB 0.601 19.316 19.000 -0.475 0.000 0.991 214 A HN 0.018 nan 8.150 nan 0.000 0.503 215 V N 2.248 122.147 119.914 -0.025 0.000 2.515 215 V HA -0.057 4.063 4.120 -0.001 0.000 0.250 215 V C 0.664 176.706 176.094 -0.086 0.000 1.058 215 V CA 2.193 64.491 62.300 -0.004 0.000 1.064 215 V CB -1.688 30.195 31.823 0.100 0.000 0.675 215 V HN 0.887 nan 8.190 nan 0.000 0.461 216 Y N -4.236 115.841 120.300 -0.372 0.000 2.588 216 Y HA 0.777 5.327 4.550 -0.001 0.000 0.343 216 Y C 0.871 176.618 175.900 -0.254 0.000 1.065 216 Y CA -0.653 57.166 58.100 -0.468 0.000 1.038 216 Y CB 1.235 39.042 38.460 -1.089 0.000 1.297 216 Y HN -0.185 nan 8.280 nan 0.000 0.467 217 A N 0.836 123.588 122.820 -0.113 0.000 1.908 217 A HA -0.158 4.162 4.320 -0.001 0.000 0.218 217 A C 1.234 178.760 177.584 -0.098 0.000 1.181 217 A CA 1.998 54.006 52.037 -0.048 0.000 0.627 217 A CB -0.764 18.254 19.000 0.031 0.000 0.818 217 A HN 0.846 nan 8.150 nan 0.000 0.445 218 E N 0.741 120.786 120.200 -0.258 0.000 2.405 218 E HA 0.035 4.385 4.350 -0.001 0.000 0.194 218 E C -0.266 176.091 176.600 -0.404 0.000 1.149 218 E CA 0.178 56.211 56.400 -0.611 0.000 0.933 218 E CB -0.278 28.907 29.700 -0.858 0.000 1.028 218 E HN 0.454 nan 8.360 nan 0.000 0.487 219 D N 1.100 121.242 120.400 -0.430 0.000 2.563 219 D HA 0.096 4.735 4.640 -0.001 0.000 0.222 219 D C -0.786 175.685 176.300 0.285 0.000 1.145 219 D CA -0.246 53.639 54.000 -0.191 0.000 1.001 219 D CB -0.301 40.322 40.800 -0.294 0.000 1.049 219 D HN 0.054 nan 8.370 nan 0.000 0.515 220 S N 1.278 117.147 115.700 0.282 0.000 2.615 220 S HA 0.233 4.703 4.470 -0.001 0.000 0.269 220 S C 0.832 175.637 174.600 0.341 0.000 1.161 220 S CA -0.827 57.516 58.200 0.238 0.000 0.817 220 S CB 0.236 63.506 63.200 0.118 0.000 1.131 220 S HN 0.273 nan 8.310 nan 0.000 0.467 221 Y N 0.556 120.969 120.300 0.188 0.000 2.465 221 Y HA -0.190 4.360 4.550 -0.001 0.000 0.289 221 Y C 2.789 178.818 175.900 0.215 0.000 1.150 221 Y CA 1.183 59.409 58.100 0.209 0.000 1.293 221 Y CB 0.004 38.585 38.460 0.202 0.000 0.977 221 Y HN 0.793 nan 8.280 nan 0.000 0.556 222 Q N 0.023 119.972 119.800 0.248 0.000 2.167 222 Q HA -0.175 4.165 4.340 -0.001 0.000 0.202 222 Q C 1.025 176.991 176.000 -0.056 0.000 0.970 222 Q CA 1.591 57.407 55.803 0.022 0.000 0.855 222 Q CB -0.042 28.442 28.738 -0.423 0.000 0.911 222 Q HN 0.481 nan 8.270 nan 0.000 0.438 223 F N -1.155 118.949 119.950 0.256 0.000 2.602 223 F HA 0.294 4.821 4.527 -0.001 0.000 0.284 223 F C 0.662 176.644 175.800 0.303 0.000 1.111 223 F CA -0.163 58.027 58.000 0.316 0.000 1.405 223 F CB 0.978 40.146 39.000 0.279 0.000 1.121 223 F HN -0.158 nan 8.300 nan 0.000 0.603 224 S N -0.118 115.873 115.700 0.484 0.000 2.575 224 S HA 0.369 4.838 4.470 -0.001 0.000 0.278 224 S C 0.149 174.989 174.600 0.399 0.000 1.139 224 S CA -0.616 57.824 58.200 0.399 0.000 0.954 224 S CB 1.205 64.641 63.200 0.394 0.000 1.054 224 S HN 0.265 nan 8.310 nan 0.000 0.483 225 I N 4.362 125.118 120.570 0.311 0.000 3.291 225 I HA 0.021 4.191 4.170 -0.001 0.000 0.279 225 I C 0.974 177.353 176.117 0.436 0.000 1.294 225 I CA 0.528 61.994 61.300 0.277 0.000 1.428 225 I CB 0.042 38.116 38.000 0.123 0.000 1.070 225 I HN 0.660 nan 8.210 nan 0.000 0.478 226 M N -0.354 119.472 119.600 0.376 0.000 2.595 226 M HA 0.085 4.564 4.480 -0.001 0.000 0.248 226 M C 1.314 177.860 176.300 0.411 0.000 1.119 226 M CA 0.359 55.840 55.300 0.303 0.000 1.079 226 M CB -1.247 31.450 32.600 0.160 0.000 1.472 226 M HN 0.098 nan 8.290 nan 0.000 0.501 227 S N -0.768 115.166 115.700 0.391 0.000 2.617 227 S HA 0.160 4.630 4.470 -0.001 0.000 0.259 227 S C 0.815 175.477 174.600 0.102 0.000 1.301 227 S CA -0.205 58.106 58.200 0.184 0.000 0.984 227 S CB 0.881 64.191 63.200 0.182 0.000 0.954 227 S HN 0.445 nan 8.310 nan 0.000 0.572 228 Y N -0.743 119.101 120.300 -0.759 0.000 2.444 228 Y HA 0.219 4.768 4.550 -0.001 0.000 0.252 228 Y C -0.158 175.119 175.900 -1.039 0.000 1.091 228 Y CA -0.877 56.589 58.100 -1.057 0.000 1.276 228 Y CB 0.493 37.802 38.460 -1.918 0.000 1.170 228 Y HN 0.603 nan 8.280 nan 0.000 0.517 229 W N 1.292 122.461 121.300 -0.218 0.000 2.438 229 W HA 0.531 5.191 4.660 -0.001 0.000 0.324 229 W C 0.617 176.667 176.519 -0.782 0.000 1.119 229 W CA -1.158 55.954 57.345 -0.389 0.000 1.221 229 W CB 0.495 29.858 29.460 -0.161 0.000 1.253 229 W HN -0.101 nan 8.180 nan 0.000 0.555 230 G N 1.711 110.292 108.800 -0.365 0.000 2.614 230 G HA2 -0.035 3.924 3.960 -0.001 0.000 0.239 230 G HA3 -0.035 3.924 3.960 -0.001 0.000 0.239 230 G C 1.048 175.803 174.900 -0.241 0.000 1.240 230 G CA -0.367 44.527 45.100 -0.345 0.000 0.842 230 G HN 0.710 nan 8.290 nan 0.000 0.584 231 E N 1.107 121.192 120.200 -0.191 0.000 2.267 231 E HA -0.248 4.102 4.350 -0.001 0.000 0.197 231 E C 1.647 178.056 176.600 -0.319 0.000 0.998 231 E CA 1.543 57.753 56.400 -0.316 0.000 0.830 231 E CB -0.578 28.618 29.700 -0.840 0.000 0.751 231 E HN 0.689 nan 8.360 nan 0.000 0.491 232 N N 1.470 120.000 118.700 -0.283 0.000 2.289 232 N HA -0.186 4.554 4.740 -0.001 0.000 0.184 232 N C 1.501 176.860 175.510 -0.251 0.000 1.016 232 N CA 1.253 54.166 53.050 -0.229 0.000 0.872 232 N CB -0.259 38.118 38.487 -0.183 0.000 0.973 232 N HN 0.065 nan 8.380 nan 0.000 0.433 233 E N -0.168 119.820 120.200 -0.354 0.000 2.333 233 E HA -0.106 4.243 4.350 -0.001 0.000 0.198 233 E C 0.958 177.242 176.600 -0.526 0.000 1.007 233 E CA 1.551 57.579 56.400 -0.620 0.000 0.845 233 E CB -0.348 28.690 29.700 -1.103 0.000 0.766 233 E HN 0.797 nan 8.360 nan 0.000 0.507 234 T N -4.139 110.252 114.554 -0.271 0.000 3.129 234 T HA 0.458 4.808 4.350 -0.001 0.000 0.267 234 T C 1.276 175.997 174.700 0.036 0.000 1.018 234 T CA 0.344 62.405 62.100 -0.066 0.000 0.903 234 T CB 0.886 69.808 68.868 0.091 0.000 1.067 234 T HN 0.173 nan 8.240 nan 0.000 0.549 235 G N 1.101 109.875 108.800 -0.043 0.000 2.194 235 G HA2 -0.032 3.928 3.960 -0.001 0.000 0.236 235 G HA3 -0.032 3.928 3.960 -0.001 0.000 0.236 235 G C 0.393 175.302 174.900 0.014 0.000 0.987 235 G CA -0.187 44.920 45.100 0.012 0.000 0.635 235 G HN 1.114 nan 8.290 nan 0.000 0.520 236 A N -0.297 122.467 122.820 -0.093 0.000 2.272 236 A HA 0.641 4.960 4.320 -0.001 0.000 0.275 236 A C 0.020 177.474 177.584 -0.216 0.000 1.096 236 A CA 0.712 52.656 52.037 -0.155 0.000 0.822 236 A CB 0.798 19.581 19.000 -0.363 0.000 1.088 236 A HN 0.741 nan 8.150 nan 0.000 0.495 237 D N -1.062 119.242 120.400 -0.161 0.000 2.470 237 D HA 0.307 4.947 4.640 -0.001 0.000 0.233 237 D C -1.415 174.950 176.300 0.109 0.000 1.372 237 D CA -0.286 53.651 54.000 -0.106 0.000 0.994 237 D CB 0.353 41.140 40.800 -0.023 0.000 1.377 237 D HN 0.275 nan 8.370 nan 0.000 0.586 238 Y N 2.424 122.707 120.300 -0.029 0.000 2.571 238 Y HA 0.244 4.794 4.550 -0.001 0.000 0.275 238 Y C 1.240 177.155 175.900 0.025 0.000 1.179 238 Y CA -0.833 57.258 58.100 -0.014 0.000 1.242 238 Y CB -0.960 37.489 38.460 -0.018 0.000 1.126 238 Y HN 0.505 nan 8.280 nan 0.000 0.524 239 N N 1.261 120.030 118.700 0.116 0.000 2.714 239 N HA -0.211 4.528 4.740 -0.001 0.000 0.252 239 N C 1.162 176.640 175.510 -0.053 0.000 1.014 239 N CA 1.350 54.428 53.050 0.047 0.000 0.735 239 N CB -1.027 37.519 38.487 0.098 0.000 0.924 239 N HN 0.726 nan 8.380 nan 0.000 0.540 240 G N -1.551 107.175 108.800 -0.124 0.000 2.179 240 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.260 240 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.260 240 G C 0.071 174.733 174.900 -0.398 0.000 0.977 240 G CA 0.572 45.516 45.100 -0.260 0.000 0.641 240 G HN 0.737 nan 8.290 nan 0.000 0.533 241 H N -0.937 118.033 119.070 -0.168 0.000 2.508 241 H HA 0.587 5.143 4.556 -0.001 0.000 0.358 241 H C -0.565 174.604 175.328 -0.266 0.000 1.212 241 H CA 0.158 56.129 56.048 -0.128 0.000 1.356 241 H CB 0.880 30.623 29.762 -0.032 0.000 1.525 241 H HN 0.225 nan 8.280 nan 0.000 0.578 242 Y N -0.927 119.507 120.300 0.224 0.000 2.361 242 Y HA 0.289 4.838 4.550 -0.001 0.000 0.337 242 Y C 0.780 176.699 175.900 0.031 0.000 0.965 242 Y CA -0.910 57.267 58.100 0.129 0.000 1.091 242 Y CB 1.764 40.286 38.460 0.104 0.000 1.182 242 Y HN 0.722 nan 8.280 nan 0.000 0.450 243 G N 0.562 109.423 108.800 0.103 0.000 2.380 243 G HA2 0.387 4.347 3.960 -0.001 0.000 0.262 243 G HA3 0.387 4.347 3.960 -0.001 0.000 0.262 243 G C 0.732 175.595 174.900 -0.062 0.000 1.243 243 G CA -0.217 44.870 45.100 -0.021 0.000 0.865 243 G HN 0.941 nan 8.290 nan 0.000 0.513 244 G N 0.329 109.064 108.800 -0.108 0.000 3.371 244 G HA2 0.513 4.473 3.960 -0.001 0.000 0.248 244 G HA3 0.513 4.473 3.960 -0.001 0.000 0.248 244 G C 0.481 175.173 174.900 -0.346 0.000 1.161 244 G CA 0.740 45.739 45.100 -0.169 0.000 0.796 244 G HN 0.985 nan 8.290 nan 0.000 0.539 245 A N -0.022 122.496 122.820 -0.503 0.000 2.430 245 A HA 0.867 5.186 4.320 -0.001 0.000 0.300 245 A C -2.904 174.334 177.584 -0.576 0.000 1.124 245 A CA -1.639 49.915 52.037 -0.806 0.000 0.766 245 A CB 1.230 19.217 19.000 -1.689 0.000 1.328 245 A HN 0.024 nan 8.150 nan 0.000 0.424 246 P HA 0.133 nan 4.420 nan 0.000 0.264 246 P C -0.269 176.924 177.300 -0.179 0.000 1.183 246 P CA 0.431 63.229 63.100 -0.502 0.000 0.763 246 P CB 0.218 31.469 31.700 -0.748 0.000 0.807 247 M N 2.770 122.367 119.600 -0.005 0.000 2.527 247 M HA 0.260 4.739 4.480 -0.001 0.000 0.283 247 M C 1.829 178.225 176.300 0.160 0.000 1.188 247 M CA -0.855 54.504 55.300 0.099 0.000 0.941 247 M CB -0.025 32.681 32.600 0.176 0.000 1.498 247 M HN 0.324 nan 8.290 nan 0.000 0.510 248 I N 1.175 121.853 120.570 0.179 0.000 2.145 248 I HA -0.366 3.804 4.170 -0.001 0.000 0.244 248 I C 1.360 177.639 176.117 0.271 0.000 1.075 248 I CA 2.003 63.427 61.300 0.208 0.000 1.332 248 I CB 0.033 38.131 38.000 0.163 0.000 1.033 248 I HN 0.601 nan 8.210 nan 0.000 0.410 249 D N 0.586 121.194 120.400 0.346 0.000 2.224 249 D HA -0.149 4.491 4.640 -0.001 0.000 0.205 249 D C 1.799 178.269 176.300 0.282 0.000 0.965 249 D CA 0.943 55.140 54.000 0.328 0.000 0.852 249 D CB -0.375 40.666 40.800 0.402 0.000 0.947 249 D HN 0.443 nan 8.370 nan 0.000 0.494 250 D N 0.457 121.029 120.400 0.288 0.000 2.117 250 D HA -0.082 4.558 4.640 -0.001 0.000 0.197 250 D C 2.316 178.806 176.300 0.317 0.000 0.987 250 D CA 0.444 54.639 54.000 0.325 0.000 0.829 250 D CB -0.094 40.888 40.800 0.304 0.000 0.961 250 D HN 0.274 nan 8.370 nan 0.000 0.460 251 I N 1.436 122.140 120.570 0.223 0.000 2.179 251 I HA -0.270 3.899 4.170 -0.001 0.000 0.242 251 I C 2.587 178.785 176.117 0.134 0.000 1.088 251 I CA 1.139 62.535 61.300 0.159 0.000 1.357 251 I CB -0.274 37.804 38.000 0.131 0.000 1.051 251 I HN -0.081 nan 8.210 nan 0.000 0.409 252 A N 0.743 123.661 122.820 0.164 0.000 1.902 252 A HA -0.184 4.136 4.320 -0.001 0.000 0.217 252 A C 2.544 180.204 177.584 0.127 0.000 1.181 252 A CA 1.987 54.108 52.037 0.141 0.000 0.623 252 A CB -0.882 18.208 19.000 0.151 0.000 0.818 252 A HN 0.448 nan 8.150 nan 0.000 0.443 253 A N -0.365 122.550 122.820 0.159 0.000 1.858 253 A HA -0.100 4.220 4.320 -0.001 0.000 0.216 253 A C 2.101 179.770 177.584 0.142 0.000 1.190 253 A CA 1.765 53.889 52.037 0.144 0.000 0.617 253 A CB -0.637 18.463 19.000 0.167 0.000 0.827 253 A HN 0.595 nan 8.150 nan 0.000 0.443 254 I N 0.098 120.786 120.570 0.197 0.000 2.361 254 I HA -0.242 3.927 4.170 -0.001 0.000 0.251 254 I C 2.373 178.607 176.117 0.196 0.000 1.133 254 I CA 1.646 63.076 61.300 0.217 0.000 1.413 254 I CB -0.349 37.847 38.000 0.327 0.000 1.073 254 I HN 0.440 nan 8.210 nan 0.000 0.424 255 Q N -0.474 119.396 119.800 0.118 0.000 2.230 255 Q HA -0.171 4.168 4.340 -0.001 0.000 0.202 255 Q C 2.299 178.347 176.000 0.080 0.000 0.963 255 Q CA 1.004 56.845 55.803 0.064 0.000 0.866 255 Q CB -0.264 28.455 28.738 -0.032 0.000 0.931 255 Q HN 0.488 nan 8.270 nan 0.000 0.452 256 R N 0.904 121.456 120.500 0.086 0.000 2.096 256 R HA -0.129 4.211 4.340 -0.001 0.000 0.235 256 R C 1.925 178.303 176.300 0.129 0.000 1.127 256 R CA 1.038 57.195 56.100 0.094 0.000 0.968 256 R CB -0.041 30.309 30.300 0.083 0.000 0.861 256 R HN 0.229 nan 8.270 nan 0.000 0.440 257 L N -1.079 120.161 121.223 0.028 0.000 2.068 257 L HA -0.070 4.269 4.340 -0.001 0.000 0.204 257 L C 1.334 177.945 176.870 -0.431 0.000 1.076 257 L CA 1.100 55.786 54.840 -0.257 0.000 0.753 257 L CB -0.122 41.638 42.059 -0.499 0.000 0.910 257 L HN 0.227 nan 8.230 nan 0.000 0.439 258 Y N -0.600 119.719 120.300 0.031 0.000 2.481 258 Y HA 0.451 5.001 4.550 -0.001 0.000 0.247 258 Y C 1.080 176.992 175.900 0.020 0.000 1.151 258 Y CA 0.066 58.176 58.100 0.016 0.000 1.238 258 Y CB 0.528 38.988 38.460 -0.000 0.000 1.179 258 Y HN 0.161 nan 8.280 nan 0.000 0.524 259 G N 0.934 109.815 108.800 0.135 0.000 2.712 259 G HA2 0.115 4.075 3.960 -0.001 0.000 0.686 259 G HA3 0.115 4.075 3.960 -0.001 0.000 0.686 259 G C -0.478 174.458 174.900 0.059 0.000 1.321 259 G CA -0.853 44.304 45.100 0.095 0.000 0.813 259 G HN 0.526 nan 8.290 nan 0.000 0.599 260 A N 0.724 123.564 122.820 0.034 0.000 2.340 260 A HA 0.675 4.995 4.320 -0.001 0.000 0.268 260 A C 0.619 178.248 177.584 0.075 0.000 1.100 260 A CA 0.027 52.033 52.037 -0.051 0.000 0.803 260 A CB 0.778 19.778 19.000 -0.001 0.000 1.043 260 A HN 1.294 nan 8.150 nan 0.000 0.488 261 N N 2.405 121.148 118.700 0.072 0.000 2.469 261 N HA 0.178 4.918 4.740 -0.001 0.000 0.239 261 N C 0.187 175.972 175.510 0.459 0.000 1.053 261 N CA -0.365 52.820 53.050 0.225 0.000 0.937 261 N CB 0.557 39.159 38.487 0.191 0.000 1.163 261 N HN 0.474 nan 8.380 nan 0.000 0.509 262 M N 1.707 121.501 119.600 0.324 0.000 2.568 262 M HA 0.033 4.513 4.480 -0.001 0.000 0.226 262 M C 1.257 177.665 176.300 0.180 0.000 1.148 262 M CA 0.332 55.801 55.300 0.281 0.000 1.007 262 M CB -1.370 31.347 32.600 0.194 0.000 1.651 262 M HN 0.502 nan 8.290 nan 0.000 0.488 263 T N -3.661 111.006 114.554 0.188 0.000 3.054 263 T HA 0.140 4.489 4.350 -0.001 0.000 0.255 263 T C 0.607 175.386 174.700 0.133 0.000 1.035 263 T CA -0.135 62.041 62.100 0.127 0.000 0.941 263 T CB -0.136 68.795 68.868 0.106 0.000 1.026 263 T HN 0.122 nan 8.240 nan 0.000 0.533 264 T N 3.680 118.354 114.554 0.201 0.000 2.749 264 T HA 0.398 4.747 4.350 -0.001 0.000 0.295 264 T C 0.140 174.892 174.700 0.087 0.000 0.936 264 T CA -0.559 61.660 62.100 0.199 0.000 1.060 264 T CB 0.422 69.522 68.868 0.387 0.000 0.904 264 T HN 0.381 nan 8.240 nan 0.000 0.500 265 R N 1.312 121.848 120.500 0.060 0.000 3.188 265 R HA -0.175 4.165 4.340 -0.001 0.000 0.247 265 R C 1.246 177.524 176.300 -0.037 0.000 0.918 265 R CA 0.746 56.846 56.100 -0.001 0.000 0.629 265 R CB -2.117 28.184 30.300 0.002 0.000 1.087 265 R HN 0.912 nan 8.270 nan 0.000 0.462 266 T N -3.463 111.077 114.554 -0.024 0.000 3.160 266 T HA 0.106 4.455 4.350 -0.001 0.000 0.257 266 T C 1.217 175.890 174.700 -0.044 0.000 1.147 266 T CA 0.425 62.502 62.100 -0.038 0.000 1.064 266 T CB 0.507 69.366 68.868 -0.014 0.000 0.949 266 T HN 0.490 nan 8.240 nan 0.000 0.526 267 G N 0.455 109.227 108.800 -0.047 0.000 2.531 267 G HA2 0.462 4.422 3.960 -0.001 0.000 0.281 267 G HA3 0.462 4.422 3.960 -0.001 0.000 0.281 267 G C -1.171 173.689 174.900 -0.067 0.000 1.382 267 G CA -0.813 44.256 45.100 -0.052 0.000 1.045 267 G HN 0.194 nan 8.290 nan 0.000 0.533 268 D N 0.612 120.971 120.400 -0.069 0.000 2.344 268 D HA 0.391 5.030 4.640 -0.001 0.000 0.253 268 D C 0.007 176.241 176.300 -0.111 0.000 1.255 268 D CA 0.428 54.382 54.000 -0.076 0.000 0.894 268 D CB 0.739 41.500 40.800 -0.065 0.000 1.067 268 D HN 0.115 nan 8.370 nan 0.000 0.492 269 S N 0.970 116.591 115.700 -0.131 0.000 2.489 269 S HA 0.551 5.021 4.470 -0.001 0.000 0.291 269 S C -0.019 174.394 174.600 -0.313 0.000 1.151 269 S CA -0.886 57.151 58.200 -0.273 0.000 1.082 269 S CB 1.798 64.798 63.200 -0.333 0.000 1.019 269 S HN 0.125 nan 8.310 nan 0.000 0.492 270 V N 3.553 123.210 119.914 -0.428 0.000 2.448 270 V HA 0.429 4.549 4.120 -0.001 0.000 0.295 270 V C -1.386 174.426 176.094 -0.470 0.000 1.025 270 V CA -0.661 61.468 62.300 -0.284 0.000 0.859 270 V CB 0.672 32.403 31.823 -0.153 0.000 0.988 270 V HN 0.832 nan 8.190 nan 0.000 0.431 271 Y N 2.812 123.090 120.300 -0.036 0.000 2.377 271 Y HA 0.818 5.367 4.550 -0.001 0.000 0.339 271 Y C 0.923 176.859 175.900 0.059 0.000 1.011 271 Y CA 0.646 58.704 58.100 -0.069 0.000 1.093 271 Y CB 2.021 40.431 38.460 -0.084 0.000 1.201 271 Y HN 0.949 nan 8.280 nan 0.000 0.455 272 G N 1.601 110.533 108.800 0.219 0.000 2.715 272 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.221 272 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.221 272 G C -0.867 174.014 174.900 -0.032 0.000 1.204 272 G CA -0.924 44.332 45.100 0.261 0.000 1.063 272 G HN 0.376 nan 8.290 nan 0.000 0.586 273 F N 2.615 122.614 119.950 0.083 0.000 2.410 273 F HA 0.484 5.010 4.527 -0.001 0.000 0.334 273 F C 1.596 177.378 175.800 -0.030 0.000 1.134 273 F CA 0.665 58.658 58.000 -0.012 0.000 1.227 273 F CB 0.587 39.553 39.000 -0.056 0.000 1.194 273 F HN 0.521 nan 8.300 nan 0.000 0.571 274 N N 0.057 118.830 118.700 0.122 0.000 2.725 274 N HA -0.228 4.511 4.740 -0.001 0.000 0.249 274 N C -0.155 175.338 175.510 -0.028 0.000 1.103 274 N CA 0.725 53.797 53.050 0.036 0.000 0.707 274 N CB -1.254 37.256 38.487 0.038 0.000 1.043 274 N HN 0.474 nan 8.380 nan 0.000 0.553 275 S N 0.850 116.514 115.700 -0.060 0.000 2.572 275 S HA 0.224 4.693 4.470 -0.001 0.000 0.279 275 S C 1.182 175.694 174.600 -0.147 0.000 1.341 275 S CA -0.139 57.981 58.200 -0.134 0.000 1.043 275 S CB 0.523 63.631 63.200 -0.154 0.000 0.887 275 S HN 0.453 nan 8.310 nan 0.000 0.516 276 N N 1.428 120.005 118.700 -0.204 0.000 2.282 276 N HA 0.041 4.780 4.740 -0.001 0.000 0.240 276 N C 0.816 176.209 175.510 -0.196 0.000 1.182 276 N CA 0.266 53.215 53.050 -0.168 0.000 0.874 276 N CB -0.258 38.139 38.487 -0.150 0.000 1.126 276 N HN 0.584 nan 8.380 nan 0.000 0.516 277 T N -3.658 110.751 114.554 -0.241 0.000 3.014 277 T HA -0.036 4.314 4.350 -0.001 0.000 0.263 277 T C 0.519 175.145 174.700 -0.123 0.000 1.078 277 T CA 0.720 62.693 62.100 -0.212 0.000 1.135 277 T CB -0.405 68.322 68.868 -0.235 0.000 0.895 277 T HN 0.188 nan 8.240 nan 0.000 0.480 278 D N 0.833 121.159 120.400 -0.124 0.000 2.772 278 D HA -0.149 4.491 4.640 -0.001 0.000 0.233 278 D C -0.842 175.380 176.300 -0.129 0.000 1.143 278 D CA 0.429 54.369 54.000 -0.100 0.000 0.700 278 D CB -0.843 39.919 40.800 -0.064 0.000 1.076 278 D HN 0.394 nan 8.370 nan 0.000 0.430 279 R N 0.305 120.680 120.500 -0.209 0.000 2.502 279 R HA 0.220 4.559 4.340 -0.001 0.000 0.300 279 R C 0.975 176.997 176.300 -0.464 0.000 0.984 279 R CA -0.114 55.732 56.100 -0.423 0.000 0.882 279 R CB 1.460 31.348 30.300 -0.688 0.000 1.180 279 R HN 0.128 nan 8.270 nan 0.000 0.444 280 D N 2.775 122.975 120.400 -0.334 0.000 2.149 280 D HA -0.215 4.425 4.640 -0.001 0.000 0.198 280 D C 1.357 177.548 176.300 -0.180 0.000 0.990 280 D CA 1.440 55.327 54.000 -0.188 0.000 0.839 280 D CB -0.383 40.380 40.800 -0.061 0.000 0.948 280 D HN 0.579 nan 8.370 nan 0.000 0.460 281 F N -1.633 118.218 119.950 -0.165 0.000 2.771 281 F HA 0.193 4.719 4.527 -0.001 0.000 0.299 281 F C 1.403 177.115 175.800 -0.147 0.000 1.177 281 F CA -0.155 57.741 58.000 -0.174 0.000 1.450 281 F CB -0.945 37.902 39.000 -0.254 0.000 1.114 281 F HN -0.066 nan 8.300 nan 0.000 0.587 282 Y N 0.080 120.129 120.300 -0.418 0.000 2.481 282 Y HA 0.280 4.830 4.550 -0.001 0.000 0.247 282 Y C 0.273 176.027 175.900 -0.243 0.000 1.151 282 Y CA -0.586 57.234 58.100 -0.466 0.000 1.238 282 Y CB 0.608 38.785 38.460 -0.471 0.000 1.179 282 Y HN -0.120 nan 8.280 nan 0.000 0.524 283 T N 1.171 115.688 114.554 -0.062 0.000 2.829 283 T HA 0.693 5.042 4.350 -0.001 0.000 0.280 283 T C -0.528 174.085 174.700 -0.146 0.000 0.999 283 T CA -0.630 61.408 62.100 -0.102 0.000 0.983 283 T CB 1.663 70.456 68.868 -0.125 0.000 0.968 283 T HN 0.132 nan 8.240 nan 0.000 0.446 284 A N 1.871 124.514 122.820 -0.295 0.000 2.311 284 A HA 0.591 4.911 4.320 -0.001 0.000 0.306 284 A C 1.140 178.453 177.584 -0.450 0.000 1.189 284 A CA -0.722 51.015 52.037 -0.500 0.000 0.791 284 A CB 0.633 18.994 19.000 -1.064 0.000 1.172 284 A HN 0.886 nan 8.150 nan 0.000 0.481 285 T N -1.334 113.098 114.554 -0.204 0.000 3.067 285 T HA 0.277 4.627 4.350 -0.001 0.000 0.257 285 T C 0.234 174.964 174.700 0.050 0.000 1.105 285 T CA 1.047 63.110 62.100 -0.061 0.000 1.104 285 T CB -0.551 68.297 68.868 -0.033 0.000 0.925 285 T HN 0.819 nan 8.240 nan 0.000 0.498 286 D N -0.514 119.927 120.400 0.068 0.000 2.671 286 D HA 0.303 4.943 4.640 -0.001 0.000 0.273 286 D C 0.909 177.383 176.300 0.290 0.000 1.264 286 D CA -0.176 53.957 54.000 0.223 0.000 0.788 286 D CB 0.713 41.582 40.800 0.115 0.000 1.324 286 D HN -0.055 nan 8.370 nan 0.000 0.424 287 S N -0.430 115.444 115.700 0.289 0.000 2.462 287 S HA -0.217 4.252 4.470 -0.001 0.000 0.243 287 S C 1.537 176.330 174.600 0.321 0.000 1.003 287 S CA 1.385 59.769 58.200 0.306 0.000 0.970 287 S CB -0.893 62.416 63.200 0.182 0.000 0.762 287 S HN 0.712 nan 8.310 nan 0.000 0.510 288 S N 0.120 115.940 115.700 0.199 0.000 2.593 288 S HA 0.255 4.724 4.470 -0.001 0.000 0.217 288 S C 0.376 175.051 174.600 0.125 0.000 0.966 288 S CA -0.483 57.809 58.200 0.154 0.000 0.914 288 S CB -0.144 63.118 63.200 0.104 0.000 0.776 288 S HN 0.214 nan 8.310 nan 0.000 0.523 289 K N 2.518 122.988 120.400 0.117 0.000 2.234 289 K HA 0.638 4.958 4.320 -0.001 0.000 0.282 289 K C -0.187 176.423 176.600 0.017 0.000 1.039 289 K CA -0.138 56.161 56.287 0.020 0.000 0.928 289 K CB 1.201 33.672 32.500 -0.048 0.000 1.039 289 K HN 0.281 nan 8.250 nan 0.000 0.470 290 A N 4.024 126.735 122.820 -0.182 0.000 2.310 290 A HA 0.543 4.863 4.320 -0.001 0.000 0.299 290 A C -0.343 177.123 177.584 -0.196 0.000 1.147 290 A CA -0.624 51.240 52.037 -0.288 0.000 0.818 290 A CB 0.272 18.826 19.000 -0.743 0.000 1.096 290 A HN 0.657 nan 8.150 nan 0.000 0.495 291 L N 2.840 123.965 121.223 -0.163 0.000 2.313 291 L HA 0.568 4.907 4.340 -0.001 0.000 0.283 291 L C -0.883 175.829 176.870 -0.264 0.000 1.013 291 L CA -0.124 54.665 54.840 -0.085 0.000 0.816 291 L CB 1.335 43.392 42.059 -0.004 0.000 1.236 291 L HN 0.597 nan 8.230 nan 0.000 0.419 292 I N 5.124 125.598 120.570 -0.160 0.000 2.531 292 I HA 0.441 4.610 4.170 -0.001 0.000 0.283 292 I C -1.030 175.065 176.117 -0.037 0.000 1.083 292 I CA -0.417 60.675 61.300 -0.347 0.000 1.071 292 I CB 1.315 39.038 38.000 -0.462 0.000 1.210 292 I HN 0.436 nan 8.210 nan 0.000 0.450 293 F N 3.088 122.989 119.950 -0.081 0.000 2.770 293 F HA 0.645 5.172 4.527 -0.001 0.000 0.313 293 F C -1.270 174.569 175.800 0.065 0.000 1.154 293 F CA -1.107 56.917 58.000 0.041 0.000 0.923 293 F CB 1.460 40.624 39.000 0.274 0.000 1.301 293 F HN 0.141 nan 8.300 nan 0.000 0.449 294 S N 1.801 117.774 115.700 0.455 0.000 2.596 294 S HA 0.614 5.083 4.470 -0.001 0.000 0.318 294 S C -1.460 173.468 174.600 0.547 0.000 1.097 294 S CA -0.609 57.784 58.200 0.322 0.000 1.080 294 S CB 1.084 64.376 63.200 0.153 0.000 0.991 294 S HN 1.145 nan 8.310 nan 0.000 0.471 295 V N 7.701 127.934 119.914 0.532 0.000 2.583 295 V HA 0.516 4.636 4.120 -0.001 0.000 0.287 295 V C -0.592 175.669 176.094 0.279 0.000 1.051 295 V CA -0.512 61.972 62.300 0.307 0.000 1.010 295 V CB 0.912 32.633 31.823 -0.170 0.000 0.988 295 V HN 0.911 nan 8.190 nan 0.000 0.478 296 W N 7.771 129.160 121.300 0.147 0.000 2.532 296 W HA 0.538 5.198 4.660 -0.001 0.000 0.321 296 W C -1.467 175.110 176.519 0.096 0.000 1.037 296 W CA -0.696 56.728 57.345 0.132 0.000 1.220 296 W CB 1.669 31.246 29.460 0.196 0.000 1.361 296 W HN 0.667 nan 8.180 nan 0.000 0.468 297 D N 4.003 123.898 120.400 -0.842 0.000 2.970 297 D HA 0.376 5.016 4.640 -0.001 0.000 0.230 297 D C -0.271 175.531 176.300 -0.830 0.000 1.276 297 D CA -0.204 53.439 54.000 -0.594 0.000 0.910 297 D CB 2.402 43.046 40.800 -0.260 0.000 1.590 297 D HN 0.444 nan 8.370 nan 0.000 0.551 298 A N 2.108 124.587 122.820 -0.568 0.000 2.345 298 A HA 0.617 4.936 4.320 -0.001 0.000 0.225 298 A C 0.824 178.291 177.584 -0.195 0.000 1.243 298 A CA 0.689 52.497 52.037 -0.382 0.000 0.875 298 A CB 0.097 19.029 19.000 -0.115 0.000 0.929 298 A HN 0.664 nan 8.150 nan 0.000 0.502 299 G N -3.132 105.562 108.800 -0.176 0.000 2.325 299 G HA2 0.593 4.552 3.960 -0.001 0.000 0.297 299 G HA3 0.593 4.552 3.960 -0.001 0.000 0.297 299 G C -0.002 174.844 174.900 -0.090 0.000 1.448 299 G CA 0.207 45.241 45.100 -0.110 0.000 0.838 299 G HN 1.972 nan 8.290 nan 0.000 0.579 300 G N -1.486 107.271 108.800 -0.071 0.000 2.685 300 G HA2 0.349 4.309 3.960 -0.001 0.000 0.387 300 G HA3 0.349 4.309 3.960 -0.001 0.000 0.387 300 G C -0.218 174.643 174.900 -0.065 0.000 1.324 300 G CA 0.166 45.229 45.100 -0.062 0.000 0.878 300 G HN 1.624 nan 8.290 nan 0.000 0.527 301 T N 2.488 117.008 114.554 -0.057 0.000 2.753 301 T HA 0.558 4.907 4.350 -0.001 0.000 0.297 301 T C -0.399 174.268 174.700 -0.055 0.000 0.981 301 T CA -0.303 61.764 62.100 -0.055 0.000 0.956 301 T CB 0.785 69.627 68.868 -0.044 0.000 0.936 301 T HN 0.538 nan 8.240 nan 0.000 0.463 302 D N 2.376 122.741 120.400 -0.058 0.000 2.299 302 D HA 0.533 5.173 4.640 -0.001 0.000 0.243 302 D C -0.350 175.928 176.300 -0.037 0.000 0.982 302 D CA -0.482 53.499 54.000 -0.031 0.000 0.924 302 D CB 2.004 42.814 40.800 0.017 0.000 1.238 302 D HN 0.301 nan 8.370 nan 0.000 0.484 303 T N 0.627 115.195 114.554 0.024 0.000 2.886 303 T HA 0.323 4.673 4.350 -0.001 0.000 0.292 303 T C -0.426 174.386 174.700 0.187 0.000 1.012 303 T CA -0.548 61.571 62.100 0.032 0.000 0.982 303 T CB 0.984 69.851 68.868 -0.001 0.000 1.018 303 T HN 0.189 nan 8.240 nan 0.000 0.451 304 F N 2.779 122.647 119.950 -0.137 0.000 2.334 304 F HA 0.203 4.730 4.527 -0.001 0.000 0.365 304 F C 0.551 175.971 175.800 -0.633 0.000 1.124 304 F CA -0.890 56.848 58.000 -0.437 0.000 1.166 304 F CB 0.621 39.320 39.000 -0.501 0.000 1.355 304 F HN 0.460 nan 8.300 nan 0.000 0.532 305 D N 5.140 125.385 120.400 -0.257 0.000 2.456 305 D HA 0.118 4.758 4.640 -0.001 0.000 0.219 305 D C -0.396 175.977 176.300 0.123 0.000 1.126 305 D CA -0.222 53.730 54.000 -0.081 0.000 0.890 305 D CB 0.275 41.111 40.800 0.060 0.000 1.025 305 D HN 0.207 nan 8.370 nan 0.000 0.511 306 F N 1.428 121.551 119.950 0.289 0.000 2.923 306 F HA 0.102 4.628 4.527 -0.001 0.000 0.314 306 F C 2.139 178.001 175.800 0.104 0.000 1.196 306 F CA -0.643 57.570 58.000 0.355 0.000 1.320 306 F CB -0.310 38.916 39.000 0.377 0.000 0.953 306 F HN 0.258 nan 8.300 nan 0.000 0.505 307 S N -1.095 114.627 115.700 0.036 0.000 2.474 307 S HA -0.038 4.432 4.470 -0.001 0.000 0.235 307 S C 2.099 176.392 174.600 -0.512 0.000 0.997 307 S CA 0.978 59.068 58.200 -0.183 0.000 0.949 307 S CB -0.464 62.643 63.200 -0.155 0.000 0.766 307 S HN 0.388 nan 8.310 nan 0.000 0.517 308 G N -0.535 107.452 108.800 -1.355 0.000 2.985 308 G HA2 0.232 4.191 3.960 -0.001 0.000 0.209 308 G HA3 0.232 4.191 3.960 -0.001 0.000 0.209 308 G C -0.001 174.491 174.900 -0.680 0.000 1.165 308 G CA -0.368 43.846 45.100 -1.478 0.000 0.776 308 G HN 0.569 nan 8.290 nan 0.000 0.541 309 Y N 0.379 120.564 120.300 -0.191 0.000 2.352 309 Y HA 0.317 4.867 4.550 -0.001 0.000 0.326 309 Y C 1.557 177.446 175.900 -0.019 0.000 1.166 309 Y CA -0.498 57.605 58.100 0.005 0.000 1.182 309 Y CB 2.010 40.529 38.460 0.098 0.000 1.216 309 Y HN 0.090 nan 8.280 nan 0.000 0.474 310 S N -0.618 115.190 115.700 0.180 0.000 2.524 310 S HA 0.110 4.580 4.470 -0.001 0.000 0.215 310 S C 0.052 174.690 174.600 0.062 0.000 0.986 310 S CA -0.514 57.736 58.200 0.084 0.000 0.911 310 S CB -0.192 63.041 63.200 0.055 0.000 0.805 310 S HN 0.606 nan 8.310 nan 0.000 0.501 311 N N 3.282 122.021 118.700 0.064 0.000 2.415 311 N HA 0.130 4.869 4.740 -0.001 0.000 0.248 311 N C -0.870 174.640 175.510 0.000 0.000 1.271 311 N CA -0.052 53.000 53.050 0.003 0.000 0.913 311 N CB 0.174 38.625 38.487 -0.061 0.000 1.129 311 N HN 0.268 nan 8.380 nan 0.000 0.444 312 N N 1.964 120.649 118.700 -0.025 0.000 2.442 312 N HA 0.057 4.797 4.740 -0.001 0.000 0.265 312 N C -0.134 175.341 175.510 -0.059 0.000 1.138 312 N CA 0.218 53.246 53.050 -0.037 0.000 0.956 312 N CB 0.850 39.305 38.487 -0.052 0.000 1.067 312 N HN 0.420 nan 8.380 nan 0.000 0.474 313 Q N 1.640 121.414 119.800 -0.043 0.000 2.297 313 Q HA 0.548 4.888 4.340 -0.001 0.000 0.268 313 Q C -0.342 175.582 176.000 -0.126 0.000 1.045 313 Q CA -0.793 54.976 55.803 -0.057 0.000 0.861 313 Q CB 2.433 31.194 28.738 0.039 0.000 1.344 313 Q HN 0.272 nan 8.270 nan 0.000 0.452 314 R N 1.471 121.859 120.500 -0.186 0.000 2.435 314 R HA 0.509 4.849 4.340 -0.001 0.000 0.308 314 R C -0.967 175.312 176.300 -0.034 0.000 0.975 314 R CA -0.344 55.461 56.100 -0.491 0.000 0.867 314 R CB 1.001 30.667 30.300 -1.057 0.000 1.171 314 R HN 0.535 nan 8.270 nan 0.000 0.470 315 I N 2.351 123.029 120.570 0.179 0.000 2.362 315 I HA 0.263 4.433 4.170 -0.001 0.000 0.289 315 I C -0.307 176.197 176.117 0.646 0.000 0.994 315 I CA -0.824 60.777 61.300 0.502 0.000 1.158 315 I CB 1.650 39.941 38.000 0.484 0.000 1.315 315 I HN 0.366 nan 8.210 nan 0.000 0.451 316 N N 6.708 125.787 118.700 0.632 0.000 2.407 316 N HA 0.401 5.140 4.740 -0.001 0.000 0.277 316 N C 0.005 175.678 175.510 0.271 0.000 0.995 316 N CA -0.463 52.818 53.050 0.385 0.000 0.903 316 N CB 2.015 40.535 38.487 0.056 0.000 1.218 316 N HN 0.599 nan 8.380 nan 0.000 0.487 317 L N 1.496 122.820 121.223 0.169 0.000 2.592 317 L HA 0.210 4.550 4.340 -0.001 0.000 0.227 317 L C 0.492 177.364 176.870 0.004 0.000 1.127 317 L CA -0.018 54.837 54.840 0.025 0.000 0.884 317 L CB -0.216 41.828 42.059 -0.025 0.000 1.065 317 L HN 0.388 nan 8.230 nan 0.000 0.457 318 N N 2.269 120.998 118.700 0.049 0.000 2.513 318 N HA 0.012 4.752 4.740 -0.001 0.000 0.268 318 N C 0.018 175.548 175.510 0.033 0.000 1.180 318 N CA 0.091 53.164 53.050 0.039 0.000 0.948 318 N CB 0.835 39.352 38.487 0.050 0.000 1.083 318 N HN 0.314 nan 8.380 nan 0.000 0.455 319 E N 0.266 120.484 120.200 0.029 0.000 2.413 319 E HA 0.219 4.569 4.350 -0.001 0.000 0.263 319 E C 0.824 177.480 176.600 0.093 0.000 1.015 319 E CA -0.132 56.294 56.400 0.043 0.000 0.916 319 E CB 0.315 30.030 29.700 0.026 0.000 0.947 319 E HN 0.720 nan 8.360 nan 0.000 0.440 320 G N 2.573 111.430 108.800 0.095 0.000 2.205 320 G HA2 -0.360 3.600 3.960 -0.001 0.000 0.261 320 G HA3 -0.360 3.600 3.960 -0.001 0.000 0.261 320 G C 0.284 175.229 174.900 0.076 0.000 0.980 320 G CA 0.417 45.587 45.100 0.118 0.000 0.632 320 G HN 1.079 nan 8.290 nan 0.000 0.533 321 S N -0.437 115.285 115.700 0.038 0.000 2.672 321 S HA 0.823 5.293 4.470 -0.001 0.000 0.276 321 S C -0.272 174.306 174.600 -0.036 0.000 1.207 321 S CA -0.746 57.498 58.200 0.073 0.000 1.002 321 S CB 1.743 64.973 63.200 0.051 0.000 0.998 321 S HN 0.402 nan 8.310 nan 0.000 0.542 322 F N 0.538 120.546 119.950 0.097 0.000 2.470 322 F HA 0.647 5.173 4.527 -0.001 0.000 0.329 322 F C 0.744 176.746 175.800 0.336 0.000 1.072 322 F CA -0.372 57.709 58.000 0.135 0.000 0.989 322 F CB 2.333 41.326 39.000 -0.011 0.000 1.193 322 F HN 0.635 nan 8.300 nan 0.000 0.481 323 S N 0.326 116.317 115.700 0.484 0.000 2.599 323 S HA 0.445 4.915 4.470 -0.001 0.000 0.294 323 S C -1.717 173.100 174.600 0.361 0.000 1.094 323 S CA -0.943 57.561 58.200 0.507 0.000 0.931 323 S CB 1.707 65.133 63.200 0.377 0.000 1.093 323 S HN 0.368 nan 8.310 nan 0.000 0.488 324 D N 2.078 122.628 120.400 0.250 0.000 2.454 324 D HA 0.443 5.083 4.640 -0.001 0.000 0.225 324 D C -0.880 175.374 176.300 -0.077 0.000 1.081 324 D CA -0.055 53.999 54.000 0.090 0.000 0.864 324 D CB 1.363 42.187 40.800 0.040 0.000 1.040 324 D HN 0.110 nan 8.370 nan 0.000 0.517 325 V N 0.464 120.247 119.914 -0.218 0.000 2.628 325 V HA 0.585 4.704 4.120 -0.001 0.000 0.306 325 V C 1.223 176.982 176.094 -0.557 0.000 1.045 325 V CA -0.710 61.335 62.300 -0.425 0.000 0.905 325 V CB 1.760 33.108 31.823 -0.791 0.000 0.997 325 V HN 0.790 nan 8.190 nan 0.000 0.436 326 G N 2.919 111.229 108.800 -0.818 0.000 2.341 326 G HA2 0.039 3.998 3.960 -0.001 0.000 0.292 326 G HA3 0.039 3.998 3.960 -0.001 0.000 0.292 326 G C 1.200 175.727 174.900 -0.620 0.000 1.021 326 G CA 0.970 45.224 45.100 -1.409 0.000 0.905 326 G HN 2.341 nan 8.290 nan 0.000 0.508 327 G N -2.802 105.797 108.800 -0.334 0.000 2.225 327 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.254 327 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.254 327 G C 0.402 175.232 174.900 -0.116 0.000 0.988 327 G CA 0.792 45.787 45.100 -0.174 0.000 0.625 327 G HN 1.242 nan 8.290 nan 0.000 0.527 328 L N 0.101 121.237 121.223 -0.144 0.000 2.448 328 L HA 0.731 5.070 4.340 -0.001 0.000 0.258 328 L C 0.667 177.553 176.870 0.027 0.000 1.104 328 L CA -0.321 54.500 54.840 -0.032 0.000 0.800 328 L CB 0.902 42.935 42.059 -0.043 0.000 1.241 328 L HN 0.111 nan 8.230 nan 0.000 0.472 329 K N -0.124 120.356 120.400 0.134 0.000 2.376 329 K HA 0.532 4.852 4.320 -0.001 0.000 0.257 329 K C 0.235 177.006 176.600 0.286 0.000 0.939 329 K CA -0.201 56.208 56.287 0.202 0.000 0.809 329 K CB 1.589 34.196 32.500 0.179 0.000 1.121 329 K HN 0.740 nan 8.250 nan 0.000 0.425 330 G N 2.574 111.589 108.800 0.359 0.000 2.283 330 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.280 330 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.280 330 G C 0.429 175.550 174.900 0.367 0.000 1.029 330 G CA 0.759 46.034 45.100 0.291 0.000 0.840 330 G HN 0.842 nan 8.290 nan 0.000 0.505 331 N N -1.105 117.714 118.700 0.198 0.000 2.422 331 N HA 0.110 4.849 4.740 -0.001 0.000 0.181 331 N C 0.405 175.708 175.510 -0.346 0.000 1.080 331 N CA 0.766 53.706 53.050 -0.182 0.000 0.893 331 N CB 0.569 38.818 38.487 -0.397 0.000 0.973 331 N HN 0.400 nan 8.380 nan 0.000 0.456 332 V N 1.085 120.843 119.914 -0.260 0.000 2.588 332 V HA 0.549 4.669 4.120 -0.001 0.000 0.304 332 V C -0.440 175.477 176.094 -0.295 0.000 1.042 332 V CA -0.703 61.287 62.300 -0.516 0.000 0.877 332 V CB 1.769 33.170 31.823 -0.703 0.000 0.996 332 V HN 0.473 nan 8.190 nan 0.000 0.425 333 S N 4.796 120.281 115.700 -0.358 0.000 2.618 333 S HA 0.791 5.260 4.470 -0.001 0.000 0.277 333 S C -1.183 173.374 174.600 -0.072 0.000 1.138 333 S CA -0.812 57.103 58.200 -0.475 0.000 0.844 333 S CB 1.987 64.440 63.200 -1.245 0.000 1.127 333 S HN 0.458 nan 8.310 nan 0.000 0.474 334 I N 1.922 122.466 120.570 -0.042 0.000 2.389 334 I HA 0.572 4.741 4.170 -0.001 0.000 0.288 334 I C 0.689 176.851 176.117 0.075 0.000 0.999 334 I CA -0.867 60.483 61.300 0.083 0.000 1.129 334 I CB 1.542 39.577 38.000 0.057 0.000 1.288 334 I HN 0.970 nan 8.210 nan 0.000 0.444 335 A N 5.945 128.865 122.820 0.166 0.000 2.448 335 A HA 0.046 4.365 4.320 -0.001 0.000 0.239 335 A C 0.181 177.922 177.584 0.260 0.000 1.080 335 A CA -0.010 52.179 52.037 0.255 0.000 0.779 335 A CB 0.044 19.294 19.000 0.416 0.000 1.026 335 A HN 0.828 nan 8.150 nan 0.000 0.499 336 H N 0.178 119.375 119.070 0.211 0.000 2.815 336 H HA 0.295 4.851 4.556 -0.001 0.000 0.350 336 H C 1.302 176.784 175.328 0.256 0.000 1.080 336 H CA 1.481 57.641 56.048 0.186 0.000 1.433 336 H CB 0.446 30.304 29.762 0.160 0.000 1.432 336 H HN 1.362 nan 8.280 nan 0.000 0.592 337 G N 3.660 112.173 108.800 -0.479 0.000 2.141 337 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.242 337 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.242 337 G C -0.435 174.389 174.900 -0.125 0.000 0.982 337 G CA 0.211 45.163 45.100 -0.247 0.000 0.662 337 G HN 0.609 nan 8.290 nan 0.000 0.527 338 V N 0.566 120.404 119.914 -0.127 0.000 2.604 338 V HA 0.750 4.869 4.120 -0.001 0.000 0.305 338 V C 0.119 176.116 176.094 -0.162 0.000 1.043 338 V CA -0.295 61.884 62.300 -0.202 0.000 0.888 338 V CB 2.098 33.814 31.823 -0.178 0.000 0.995 338 V HN 0.250 nan 8.190 nan 0.000 0.429 339 T N 6.015 120.459 114.554 -0.182 0.000 2.809 339 T HA 0.548 4.898 4.350 -0.001 0.000 0.296 339 T C -0.461 174.130 174.700 -0.183 0.000 1.015 339 T CA -0.250 61.760 62.100 -0.150 0.000 0.954 339 T CB 0.534 69.333 68.868 -0.115 0.000 0.950 339 T HN 0.270 nan 8.240 nan 0.000 0.450 340 I N 3.608 124.042 120.570 -0.226 0.000 2.336 340 I HA 0.357 4.527 4.170 -0.001 0.000 0.292 340 I C 0.936 176.917 176.117 -0.226 0.000 0.991 340 I CA -0.614 60.500 61.300 -0.310 0.000 1.227 340 I CB 1.667 39.290 38.000 -0.629 0.000 1.366 340 I HN 0.620 nan 8.210 nan 0.000 0.466 341 E N 3.562 123.663 120.200 -0.166 0.000 2.127 341 E HA 0.069 4.418 4.350 -0.001 0.000 0.191 341 E C -0.127 176.430 176.600 -0.071 0.000 0.964 341 E CA 0.856 57.197 56.400 -0.098 0.000 0.832 341 E CB 0.266 29.926 29.700 -0.067 0.000 0.790 341 E HN 0.534 nan 8.360 nan 0.000 0.465 342 N N -0.333 118.319 118.700 -0.080 0.000 2.381 342 N HA 0.678 5.418 4.740 -0.001 0.000 0.294 342 N C -1.161 174.335 175.510 -0.023 0.000 1.216 342 N CA -0.583 52.451 53.050 -0.028 0.000 0.803 342 N CB 2.087 40.569 38.487 -0.009 0.000 1.372 342 N HN 0.039 nan 8.380 nan 0.000 0.500 343 A N 0.578 123.420 122.820 0.037 0.000 2.520 343 A HA 0.735 5.055 4.320 -0.001 0.000 0.298 343 A C -1.290 176.339 177.584 0.074 0.000 1.051 343 A CA -0.578 51.501 52.037 0.071 0.000 0.690 343 A CB 0.998 20.087 19.000 0.148 0.000 1.281 343 A HN 0.570 nan 8.150 nan 0.000 0.402 344 I N 2.236 122.835 120.570 0.047 0.000 2.447 344 I HA 0.500 4.669 4.170 -0.001 0.000 0.287 344 I C 0.868 177.057 176.117 0.121 0.000 1.023 344 I CA -0.583 60.755 61.300 0.063 0.000 1.083 344 I CB 2.064 40.075 38.000 0.019 0.000 1.245 344 I HN 0.802 nan 8.210 nan 0.000 0.434 345 G N 3.553 112.435 108.800 0.136 0.000 2.563 345 G HA2 0.626 4.586 3.960 -0.001 0.000 0.283 345 G HA3 0.626 4.586 3.960 -0.001 0.000 0.283 345 G C 0.144 175.119 174.900 0.125 0.000 1.309 345 G CA -0.172 45.030 45.100 0.170 0.000 1.022 345 G HN 0.698 nan 8.290 nan 0.000 0.501 346 G N -1.645 107.232 108.800 0.127 0.000 2.857 346 G HA2 0.403 4.362 3.960 -0.001 0.000 0.217 346 G HA3 0.403 4.362 3.960 -0.001 0.000 0.217 346 G C 1.250 176.172 174.900 0.037 0.000 1.357 346 G CA 0.747 45.888 45.100 0.067 0.000 1.033 346 G HN 1.096 nan 8.290 nan 0.000 0.571 347 S N -1.139 114.572 115.700 0.019 0.000 2.607 347 S HA 0.229 4.699 4.470 -0.001 0.000 0.224 347 S C 1.261 175.871 174.600 0.017 0.000 0.969 347 S CA 0.412 58.618 58.200 0.010 0.000 0.927 347 S CB -0.268 62.931 63.200 -0.002 0.000 0.772 347 S HN 0.841 nan 8.310 nan 0.000 0.533 348 G N 1.379 110.197 108.800 0.029 0.000 2.563 348 G HA2 0.361 4.321 3.960 -0.001 0.000 0.283 348 G HA3 0.361 4.321 3.960 -0.001 0.000 0.283 348 G C -0.462 174.441 174.900 0.006 0.000 1.309 348 G CA -0.906 44.204 45.100 0.017 0.000 1.022 348 G HN 0.348 nan 8.290 nan 0.000 0.501 349 N N 1.750 120.444 118.700 -0.010 0.000 2.482 349 N HA 0.184 4.924 4.740 -0.001 0.000 0.242 349 N C -0.772 174.716 175.510 -0.036 0.000 1.100 349 N CA -0.006 53.030 53.050 -0.022 0.000 0.946 349 N CB 1.035 39.505 38.487 -0.029 0.000 1.227 349 N HN 0.395 nan 8.380 nan 0.000 0.508 350 D N 1.347 121.731 120.400 -0.025 0.000 2.385 350 D HA 0.468 5.108 4.640 -0.001 0.000 0.254 350 D C 0.473 176.738 176.300 -0.059 0.000 1.053 350 D CA -0.307 53.671 54.000 -0.036 0.000 0.992 350 D CB 1.980 42.793 40.800 0.022 0.000 1.145 350 D HN 0.248 nan 8.370 nan 0.000 0.523 351 I N 1.123 121.630 120.570 -0.105 0.000 2.418 351 I HA 0.195 4.365 4.170 -0.001 0.000 0.287 351 I C -1.092 175.014 176.117 -0.019 0.000 1.008 351 I CA -0.739 60.495 61.300 -0.110 0.000 1.104 351 I CB 1.435 39.266 38.000 -0.283 0.000 1.264 351 I HN -0.045 nan 8.210 nan 0.000 0.438 352 L N 7.643 128.922 121.223 0.094 0.000 2.319 352 L HA 0.495 4.835 4.340 -0.001 0.000 0.281 352 L C -0.367 176.660 176.870 0.263 0.000 1.005 352 L CA -0.496 54.459 54.840 0.192 0.000 0.828 352 L CB 1.780 43.942 42.059 0.173 0.000 1.227 352 L HN 0.233 nan 8.230 nan 0.000 0.415 353 V N 3.046 123.171 119.914 0.351 0.000 2.384 353 V HA 0.731 4.851 4.120 -0.001 0.000 0.287 353 V C 0.737 177.007 176.094 0.293 0.000 1.020 353 V CA -0.525 62.005 62.300 0.384 0.000 0.850 353 V CB 1.262 33.326 31.823 0.402 0.000 0.987 353 V HN 0.828 nan 8.190 nan 0.000 0.436 354 G N 4.137 113.089 108.800 0.254 0.000 2.525 354 G HA2 0.506 4.466 3.960 -0.001 0.000 0.287 354 G HA3 0.506 4.466 3.960 -0.001 0.000 0.287 354 G C -0.293 174.686 174.900 0.131 0.000 1.350 354 G CA -0.500 44.683 45.100 0.140 0.000 1.039 354 G HN 0.799 nan 8.290 nan 0.000 0.513 355 N N -2.989 115.751 118.700 0.066 0.000 3.100 355 N HA 0.300 5.040 4.740 -0.001 0.000 0.344 355 N C 1.100 176.631 175.510 0.036 0.000 1.413 355 N CA 0.079 53.164 53.050 0.058 0.000 0.752 355 N CB 0.627 39.129 38.487 0.026 0.000 1.519 355 N HN 0.391 nan 8.380 nan 0.000 0.620 356 S N -2.070 113.650 115.700 0.032 0.000 2.507 356 S HA 0.190 4.659 4.470 -0.001 0.000 0.235 356 S C 0.913 175.516 174.600 0.006 0.000 0.988 356 S CA 0.009 58.223 58.200 0.023 0.000 0.944 356 S CB -0.835 62.382 63.200 0.029 0.000 0.762 356 S HN 0.817 nan 8.310 nan 0.000 0.526 357 A N 1.534 124.351 122.820 -0.003 0.000 2.259 357 A HA 0.471 4.791 4.320 -0.001 0.000 0.278 357 A C -0.334 177.243 177.584 -0.012 0.000 1.107 357 A CA -0.605 51.423 52.037 -0.014 0.000 0.828 357 A CB 0.035 19.019 19.000 -0.027 0.000 1.111 357 A HN 0.303 nan 8.150 nan 0.000 0.498 358 D N 1.261 121.652 120.400 -0.014 0.000 2.344 358 D HA 0.271 4.910 4.640 -0.001 0.000 0.253 358 D C -0.592 175.710 176.300 0.003 0.000 1.255 358 D CA 0.625 54.621 54.000 -0.007 0.000 0.894 358 D CB 0.031 40.824 40.800 -0.012 0.000 1.067 358 D HN 0.474 nan 8.370 nan 0.000 0.492 359 N N 1.578 120.289 118.700 0.018 0.000 2.405 359 N HA 0.492 5.231 4.740 -0.001 0.000 0.299 359 N C -0.346 175.206 175.510 0.070 0.000 1.075 359 N CA -0.645 52.424 53.050 0.032 0.000 0.884 359 N CB 2.016 40.523 38.487 0.035 0.000 1.194 359 N HN 0.251 nan 8.380 nan 0.000 0.491 360 I N 2.508 123.126 120.570 0.080 0.000 2.328 360 I HA 0.265 4.435 4.170 -0.001 0.000 0.287 360 I C -0.851 175.356 176.117 0.149 0.000 1.012 360 I CA -0.489 60.894 61.300 0.138 0.000 1.195 360 I CB 0.622 38.694 38.000 0.120 0.000 1.350 360 I HN 0.299 nan 8.210 nan 0.000 0.464 361 L N 6.931 128.278 121.223 0.206 0.000 2.322 361 L HA 0.497 4.837 4.340 -0.001 0.000 0.281 361 L C -0.433 176.598 176.870 0.267 0.000 1.014 361 L CA -0.577 54.384 54.840 0.201 0.000 0.815 361 L CB 1.496 43.670 42.059 0.191 0.000 1.247 361 L HN 0.533 nan 8.230 nan 0.000 0.421 362 Q N 1.670 121.587 119.800 0.195 0.000 2.339 362 Q HA 0.266 4.606 4.340 -0.001 0.000 0.268 362 Q C 0.791 176.877 176.000 0.143 0.000 1.027 362 Q CA -0.370 55.544 55.803 0.186 0.000 0.759 362 Q CB 2.213 30.994 28.738 0.072 0.000 1.244 362 Q HN 0.898 nan 8.270 nan 0.000 0.464 363 G N 1.888 110.778 108.800 0.151 0.000 2.448 363 G HA2 0.213 4.172 3.960 -0.001 0.000 0.218 363 G HA3 0.213 4.172 3.960 -0.001 0.000 0.218 363 G C 0.735 175.679 174.900 0.073 0.000 1.135 363 G CA 0.577 45.735 45.100 0.097 0.000 0.784 363 G HN 0.917 nan 8.290 nan 0.000 0.543 364 G N -0.566 108.278 108.800 0.073 0.000 2.693 364 G HA2 0.280 4.239 3.960 -0.001 0.000 0.226 364 G HA3 0.280 4.239 3.960 -0.001 0.000 0.226 364 G C 0.448 175.368 174.900 0.034 0.000 1.354 364 G CA -0.029 45.096 45.100 0.042 0.000 0.873 364 G HN 1.389 nan 8.290 nan 0.000 0.562 365 A N -0.698 122.132 122.820 0.017 0.000 2.346 365 A HA 0.891 5.211 4.320 -0.001 0.000 0.255 365 A C 1.800 179.390 177.584 0.010 0.000 1.113 365 A CA 2.002 54.046 52.037 0.012 0.000 0.798 365 A CB -0.169 18.832 19.000 0.002 0.000 1.073 365 A HN 3.048 nan 8.150 nan 0.000 0.502 366 G N -0.250 108.551 108.800 0.003 0.000 2.746 366 G HA2 -0.099 3.861 3.960 -0.001 0.000 0.685 366 G HA3 -0.099 3.861 3.960 -0.001 0.000 0.685 366 G C -0.739 174.154 174.900 -0.011 0.000 1.350 366 G CA -0.313 44.785 45.100 -0.003 0.000 0.837 366 G HN 1.032 nan 8.290 nan 0.000 0.564 367 N N 2.154 120.842 118.700 -0.019 0.000 2.469 367 N HA 0.316 5.056 4.740 -0.001 0.000 0.239 367 N C -0.601 174.883 175.510 -0.043 0.000 1.053 367 N CA -0.144 52.886 53.050 -0.033 0.000 0.937 367 N CB 0.881 39.352 38.487 -0.028 0.000 1.163 367 N HN 0.546 nan 8.380 nan 0.000 0.509 368 D N 0.535 120.899 120.400 -0.060 0.000 2.268 368 D HA 0.345 4.985 4.640 -0.001 0.000 0.249 368 D C -0.041 176.193 176.300 -0.110 0.000 1.008 368 D CA -0.425 53.535 54.000 -0.067 0.000 0.939 368 D CB 2.423 43.199 40.800 -0.040 0.000 1.170 368 D HN -0.008 nan 8.370 nan 0.000 0.468 369 V N 2.121 121.990 119.914 -0.075 0.000 2.378 369 V HA 0.255 4.374 4.120 -0.001 0.000 0.288 369 V C -0.483 175.602 176.094 -0.015 0.000 1.016 369 V CA -0.672 61.590 62.300 -0.063 0.000 0.840 369 V CB 1.216 33.026 31.823 -0.022 0.000 0.994 369 V HN 0.278 nan 8.190 nan 0.000 0.431 370 L N 5.427 126.629 121.223 -0.036 0.000 2.322 370 L HA 0.541 4.880 4.340 -0.001 0.000 0.281 370 L C -0.835 176.129 176.870 0.157 0.000 1.014 370 L CA -0.423 54.465 54.840 0.080 0.000 0.815 370 L CB 1.425 43.542 42.059 0.098 0.000 1.247 370 L HN 0.655 nan 8.230 nan 0.000 0.421 371 Y N 1.524 121.846 120.300 0.037 0.000 2.349 371 Y HA 0.523 5.073 4.550 -0.001 0.000 0.324 371 Y C 0.926 176.832 175.900 0.010 0.000 1.005 371 Y CA -0.635 57.459 58.100 -0.010 0.000 1.240 371 Y CB 1.796 40.279 38.460 0.038 0.000 1.117 371 Y HN 0.663 nan 8.280 nan 0.000 0.463 372 G N 3.037 111.615 108.800 -0.370 0.000 2.421 372 G HA2 0.290 4.250 3.960 -0.001 0.000 0.217 372 G HA3 0.290 4.250 3.960 -0.001 0.000 0.217 372 G C 0.870 175.556 174.900 -0.357 0.000 1.143 372 G CA 0.610 45.562 45.100 -0.247 0.000 0.784 372 G HN 1.411 nan 8.290 nan 0.000 0.541 373 G N -0.344 107.955 108.800 -0.834 0.000 2.598 373 G HA2 0.242 4.202 3.960 -0.001 0.000 0.244 373 G HA3 0.242 4.202 3.960 -0.001 0.000 0.244 373 G C 0.511 175.307 174.900 -0.173 0.000 1.302 373 G CA 0.149 44.937 45.100 -0.520 0.000 0.903 373 G HN 1.442 nan 8.290 nan 0.000 0.575 374 A N -0.525 122.275 122.820 -0.033 0.000 2.429 374 A HA 0.814 5.133 4.320 -0.001 0.000 0.242 374 A C 1.770 179.350 177.584 -0.006 0.000 1.088 374 A CA 2.078 54.121 52.037 0.011 0.000 0.784 374 A CB -0.198 18.825 19.000 0.039 0.000 1.038 374 A HN 3.016 nan 8.150 nan 0.000 0.501 375 G N -1.778 107.023 108.800 0.001 0.000 2.707 375 G HA2 0.429 4.388 3.960 -0.001 0.000 0.686 375 G HA3 0.429 4.388 3.960 -0.001 0.000 0.686 375 G C -0.011 174.872 174.900 -0.028 0.000 1.315 375 G CA -0.180 44.911 45.100 -0.015 0.000 0.832 375 G HN 2.268 nan 8.290 nan 0.000 0.573 376 A N 1.309 124.100 122.820 -0.049 0.000 2.527 376 A HA 0.578 4.898 4.320 -0.001 0.000 0.313 376 A C 0.287 177.865 177.584 -0.010 0.000 1.410 376 A CA -0.034 51.959 52.037 -0.073 0.000 1.060 376 A CB -0.048 18.862 19.000 -0.150 0.000 1.137 376 A HN 0.583 nan 8.150 nan 0.000 0.542 377 D N 1.386 121.801 120.400 0.024 0.000 2.277 377 D HA 0.446 5.086 4.640 -0.001 0.000 0.250 377 D C -0.402 175.970 176.300 0.120 0.000 1.032 377 D CA 0.189 54.227 54.000 0.063 0.000 0.947 377 D CB 1.602 42.431 40.800 0.048 0.000 1.159 377 D HN 0.332 nan 8.370 nan 0.000 0.460 378 T N 1.376 116.010 114.554 0.134 0.000 2.815 378 T HA 0.458 4.807 4.350 -0.001 0.000 0.289 378 T C 0.008 174.785 174.700 0.127 0.000 1.000 378 T CA -0.597 61.586 62.100 0.138 0.000 0.958 378 T CB 0.608 69.561 68.868 0.142 0.000 0.944 378 T HN 0.090 nan 8.240 nan 0.000 0.442 379 L N 3.459 124.707 121.223 0.042 0.000 2.341 379 L HA 0.606 4.945 4.340 -0.001 0.000 0.278 379 L C -1.220 175.653 176.870 0.005 0.000 1.005 379 L CA -1.147 53.786 54.840 0.155 0.000 0.818 379 L CB 1.262 43.516 42.059 0.323 0.000 1.259 379 L HN 0.607 nan 8.230 nan 0.000 0.418 380 Y N 0.636 121.111 120.300 0.292 0.000 2.338 380 Y HA 0.352 4.901 4.550 -0.001 0.000 0.328 380 Y C 1.049 177.139 175.900 0.318 0.000 0.965 380 Y CA -0.631 57.630 58.100 0.268 0.000 1.208 380 Y CB 2.042 40.591 38.460 0.149 0.000 1.132 380 Y HN 0.706 nan 8.280 nan 0.000 0.469 381 G N 1.666 110.790 108.800 0.539 0.000 2.464 381 G HA2 0.328 4.288 3.960 -0.001 0.000 0.217 381 G HA3 0.328 4.288 3.960 -0.001 0.000 0.217 381 G C 0.875 175.887 174.900 0.186 0.000 1.138 381 G CA 0.542 45.819 45.100 0.295 0.000 0.793 381 G HN 1.150 nan 8.290 nan 0.000 0.539 382 G N -0.613 108.322 108.800 0.224 0.000 2.693 382 G HA2 0.299 4.259 3.960 -0.001 0.000 0.226 382 G HA3 0.299 4.259 3.960 -0.001 0.000 0.226 382 G C 0.332 175.286 174.900 0.090 0.000 1.354 382 G CA -0.117 45.068 45.100 0.141 0.000 0.873 382 G HN 1.394 nan 8.290 nan 0.000 0.562 383 A N -0.486 122.366 122.820 0.054 0.000 2.406 383 A HA 0.910 5.230 4.320 -0.001 0.000 0.243 383 A C 1.612 179.206 177.584 0.016 0.000 1.082 383 A CA 1.982 54.037 52.037 0.030 0.000 0.786 383 A CB 0.111 19.121 19.000 0.018 0.000 1.029 383 A HN 3.004 nan 8.150 nan 0.000 0.495 384 G N 0.364 109.165 108.800 0.002 0.000 2.603 384 G HA2 -0.013 3.947 3.960 -0.001 0.000 0.686 384 G HA3 -0.013 3.947 3.960 -0.001 0.000 0.686 384 G C -0.607 174.278 174.900 -0.024 0.000 1.286 384 G CA -0.569 44.525 45.100 -0.010 0.000 0.871 384 G HN 0.976 nan 8.290 nan 0.000 0.568 385 R N 1.270 121.752 120.500 -0.030 0.000 2.408 385 R HA 0.324 4.663 4.340 -0.001 0.000 0.308 385 R C -0.668 175.597 176.300 -0.057 0.000 1.210 385 R CA -0.606 55.471 56.100 -0.039 0.000 1.115 385 R CB 0.454 30.739 30.300 -0.025 0.000 1.127 385 R HN 0.485 nan 8.270 nan 0.000 0.523 386 D N 1.503 121.849 120.400 -0.091 0.000 2.277 386 D HA 0.272 4.911 4.640 -0.001 0.000 0.250 386 D C -0.082 176.066 176.300 -0.254 0.000 1.032 386 D CA -0.122 53.757 54.000 -0.201 0.000 0.947 386 D CB 2.060 42.687 40.800 -0.288 0.000 1.159 386 D HN 0.204 nan 8.370 nan 0.000 0.460 387 T N 0.957 115.302 114.554 -0.349 0.000 2.879 387 T HA 0.387 4.737 4.350 -0.001 0.000 0.290 387 T C -0.600 173.911 174.700 -0.316 0.000 0.993 387 T CA -0.564 61.425 62.100 -0.185 0.000 0.975 387 T CB 0.412 69.275 68.868 -0.009 0.000 0.981 387 T HN 0.086 nan 8.240 nan 0.000 0.439 388 F N 2.249 122.350 119.950 0.252 0.000 2.385 388 F HA 0.533 5.060 4.527 -0.001 0.000 0.360 388 F C 0.246 176.179 175.800 0.220 0.000 1.122 388 F CA -1.036 57.100 58.000 0.226 0.000 1.090 388 F CB 0.852 40.049 39.000 0.327 0.000 1.150 388 F HN 0.177 nan 8.300 nan 0.000 0.472 389 V N 3.932 123.957 119.914 0.185 0.000 2.472 389 V HA 0.345 4.464 4.120 -0.001 0.000 0.290 389 V C -0.866 175.179 176.094 -0.082 0.000 1.037 389 V CA -1.016 61.406 62.300 0.203 0.000 0.908 389 V CB 1.251 33.235 31.823 0.268 0.000 0.985 389 V HN 0.502 nan 8.190 nan 0.000 0.454 390 Y N 1.740 122.271 120.300 0.384 0.000 2.338 390 Y HA 0.566 5.116 4.550 -0.001 0.000 0.333 390 Y C 1.030 177.120 175.900 0.316 0.000 0.968 390 Y CA -0.519 57.805 58.100 0.374 0.000 1.123 390 Y CB 2.185 40.943 38.460 0.496 0.000 1.165 390 Y HN 0.673 nan 8.280 nan 0.000 0.452 391 G N 1.012 110.048 108.800 0.393 0.000 2.838 391 G HA2 0.295 4.255 3.960 -0.001 0.000 0.210 391 G HA3 0.295 4.255 3.960 -0.001 0.000 0.210 391 G C 0.018 174.854 174.900 -0.108 0.000 1.153 391 G CA 0.652 45.868 45.100 0.194 0.000 0.778 391 G HN 0.578 nan 8.290 nan 0.000 0.539 392 S N -3.116 112.540 115.700 -0.074 0.000 2.615 392 S HA 0.484 4.954 4.470 -0.001 0.000 0.268 392 S C 1.015 175.721 174.600 0.176 0.000 1.146 392 S CA 0.320 58.381 58.200 -0.231 0.000 0.818 392 S CB 0.895 64.071 63.200 -0.041 0.000 1.111 392 S HN 0.433 nan 8.310 nan 0.000 0.465 393 G N 0.321 109.264 108.800 0.238 0.000 2.448 393 G HA2 -0.079 3.881 3.960 -0.001 0.000 0.219 393 G HA3 -0.079 3.881 3.960 -0.001 0.000 0.219 393 G C 0.948 176.115 174.900 0.445 0.000 1.127 393 G CA 0.587 45.974 45.100 0.479 0.000 0.766 393 G HN 0.616 nan 8.290 nan 0.000 0.552 394 Q N 0.614 120.586 119.800 0.286 0.000 2.488 394 Q HA -0.016 4.324 4.340 -0.001 0.000 0.211 394 Q C 1.561 177.681 176.000 0.199 0.000 0.967 394 Q CA 0.648 56.579 55.803 0.212 0.000 0.926 394 Q CB -0.035 28.796 28.738 0.154 0.000 0.992 394 Q HN 0.400 nan 8.270 nan 0.000 0.506 395 D N -0.089 120.485 120.400 0.290 0.000 2.183 395 D HA -0.041 4.599 4.640 -0.001 0.000 0.203 395 D C 0.280 176.696 176.300 0.194 0.000 0.969 395 D CA 0.821 54.968 54.000 0.245 0.000 0.842 395 D CB 0.250 41.279 40.800 0.382 0.000 0.957 395 D HN -0.054 nan 8.370 nan 0.000 0.484 396 S N 0.027 115.803 115.700 0.126 0.000 2.440 396 S HA 0.175 4.644 4.470 -0.001 0.000 0.142 396 S C -0.375 174.024 174.600 -0.336 0.000 1.578 396 S CA -0.631 57.438 58.200 -0.217 0.000 1.260 396 S CB -0.249 62.624 63.200 -0.546 0.000 1.407 396 S HN 0.189 nan 8.310 nan 0.000 0.392 397 T N -0.112 114.392 114.554 -0.083 0.000 2.868 397 T HA 0.366 4.715 4.350 -0.001 0.000 0.292 397 T C 1.692 176.370 174.700 -0.036 0.000 1.028 397 T CA -0.553 61.534 62.100 -0.021 0.000 1.059 397 T CB 0.968 69.868 68.868 0.053 0.000 0.991 397 T HN 0.141 nan 8.240 nan 0.000 0.531 398 V N 1.972 121.897 119.914 0.020 0.000 2.392 398 V HA -0.138 3.982 4.120 -0.001 0.000 0.249 398 V C 3.016 179.188 176.094 0.129 0.000 1.059 398 V CA 2.259 64.606 62.300 0.077 0.000 1.051 398 V CB -1.559 30.346 31.823 0.137 0.000 0.658 398 V HN 1.088 nan 8.190 nan 0.000 0.455 399 A N -0.831 122.029 122.820 0.066 0.000 2.168 399 A HA 0.396 4.715 4.320 -0.001 0.000 0.215 399 A C 1.439 178.994 177.584 -0.047 0.000 1.152 399 A CA 1.296 53.351 52.037 0.030 0.000 0.716 399 A CB -0.209 18.808 19.000 0.029 0.000 0.794 399 A HN 0.858 nan 8.150 nan 0.000 0.465 400 A N -0.448 122.322 122.820 -0.084 0.000 3.464 400 A HA 0.498 4.818 4.320 -0.001 0.000 0.243 400 A C -0.231 177.223 177.584 -0.218 0.000 1.100 400 A CA -0.718 51.206 52.037 -0.187 0.000 0.957 400 A CB -0.652 18.290 19.000 -0.097 0.000 1.340 400 A HN 0.633 nan 8.150 nan 0.000 0.645 401 Y N -1.029 119.152 120.300 -0.198 0.000 2.379 401 Y HA 0.637 5.187 4.550 -0.001 0.000 0.337 401 Y C -0.092 175.638 175.900 -0.284 0.000 1.238 401 Y CA -1.078 56.830 58.100 -0.320 0.000 1.405 401 Y CB 0.132 38.303 38.460 -0.481 0.000 1.310 401 Y HN 0.310 nan 8.280 nan 0.000 0.569 402 D N 1.427 121.787 120.400 -0.067 0.000 2.344 402 D HA 0.215 4.854 4.640 -0.001 0.000 0.244 402 D C -1.501 174.781 176.300 -0.029 0.000 1.134 402 D CA 0.158 54.157 54.000 -0.001 0.000 0.930 402 D CB 0.405 41.261 40.800 0.093 0.000 1.175 402 D HN 0.677 nan 8.370 nan 0.000 0.437 403 W N 1.111 122.408 121.300 -0.005 0.000 2.739 403 W HA 0.516 5.176 4.660 -0.001 0.000 0.331 403 W C -0.584 175.837 176.519 -0.165 0.000 1.049 403 W CA -0.625 56.681 57.345 -0.065 0.000 1.234 403 W CB 1.094 30.525 29.460 -0.048 0.000 1.404 403 W HN 0.079 nan 8.180 nan 0.000 0.477 404 I N 4.234 124.841 120.570 0.063 0.000 2.371 404 I HA 0.228 4.398 4.170 -0.001 0.000 0.282 404 I C 0.830 176.872 176.117 -0.125 0.000 1.031 404 I CA -0.289 60.889 61.300 -0.202 0.000 1.180 404 I CB 1.452 39.165 38.000 -0.478 0.000 1.336 404 I HN 0.708 nan 8.210 nan 0.000 0.467 405 A N 4.292 126.923 122.820 -0.316 0.000 2.208 405 A HA -0.012 4.308 4.320 -0.001 0.000 0.209 405 A C 0.916 178.429 177.584 -0.118 0.000 1.161 405 A CA 0.750 52.597 52.037 -0.316 0.000 0.782 405 A CB -0.242 18.347 19.000 -0.685 0.000 0.816 405 A HN 0.786 nan 8.150 nan 0.000 0.477 406 D N -2.287 118.096 120.400 -0.029 0.000 2.785 406 D HA 0.111 4.750 4.640 -0.001 0.000 0.324 406 D C -0.252 176.151 176.300 0.171 0.000 1.523 406 D CA -0.676 53.398 54.000 0.124 0.000 0.789 406 D CB -1.267 39.665 40.800 0.220 0.000 1.171 406 D HN 0.067 nan 8.370 nan 0.000 0.447 407 F N 2.083 122.036 119.950 0.005 0.000 2.607 407 F HA 0.160 4.687 4.527 -0.001 0.000 0.374 407 F C 0.428 176.282 175.800 0.088 0.000 1.104 407 F CA 0.665 58.691 58.000 0.043 0.000 1.296 407 F CB 0.695 39.664 39.000 -0.052 0.000 1.085 407 F HN -0.058 nan 8.300 nan 0.000 0.584 408 Q N 6.145 125.624 119.800 -0.535 0.000 2.394 408 Q HA 0.171 4.511 4.340 -0.001 0.000 0.259 408 Q C -0.481 175.253 176.000 -0.445 0.000 1.021 408 Q CA -0.854 54.755 55.803 -0.323 0.000 0.805 408 Q CB 1.465 30.086 28.738 -0.195 0.000 1.226 408 Q HN 0.533 nan 8.270 nan 0.000 0.476 409 K N 0.869 121.192 120.400 -0.128 0.000 2.489 409 K HA 0.037 4.357 4.320 -0.001 0.000 0.278 409 K C 0.886 177.454 176.600 -0.052 0.000 1.000 409 K CA 1.339 57.627 56.287 0.003 0.000 1.012 409 K CB 0.098 32.629 32.500 0.052 0.000 0.903 409 K HN 0.844 nan 8.250 nan 0.000 0.485 410 G N 3.490 112.281 108.800 -0.014 0.000 2.189 410 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.267 410 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.267 410 G C 0.634 175.507 174.900 -0.044 0.000 0.975 410 G CA 0.702 45.790 45.100 -0.019 0.000 0.644 410 G HN 0.659 nan 8.290 nan 0.000 0.537 411 I N -0.608 119.899 120.570 -0.105 0.000 3.650 411 I HA 0.219 4.389 4.170 -0.001 0.000 0.261 411 I C 0.759 176.806 176.117 -0.117 0.000 1.154 411 I CA -0.117 61.123 61.300 -0.100 0.000 1.418 411 I CB 0.028 37.965 38.000 -0.106 0.000 1.539 411 I HN -0.045 nan 8.210 nan 0.000 0.449 412 D N 2.236 122.473 120.400 -0.270 0.000 2.411 412 D HA 0.375 5.015 4.640 -0.001 0.000 0.251 412 D C -0.300 176.037 176.300 0.061 0.000 1.201 412 D CA 0.121 54.012 54.000 -0.181 0.000 0.996 412 D CB 1.181 41.790 40.800 -0.319 0.000 1.101 412 D HN 0.026 nan 8.370 nan 0.000 0.504 413 K N 0.068 120.676 120.400 0.348 0.000 2.512 413 K HA 0.562 4.882 4.320 -0.001 0.000 0.263 413 K C -0.842 176.144 176.600 0.644 0.000 0.966 413 K CA -0.724 55.848 56.287 0.474 0.000 0.851 413 K CB 2.244 34.901 32.500 0.261 0.000 1.395 413 K HN 0.260 nan 8.250 nan 0.000 0.440 414 I N 1.528 122.414 120.570 0.526 0.000 2.382 414 I HA 0.119 4.289 4.170 -0.001 0.000 0.286 414 I C -0.758 175.590 176.117 0.385 0.000 1.002 414 I CA -0.651 60.943 61.300 0.490 0.000 1.135 414 I CB 1.567 39.745 38.000 0.297 0.000 1.288 414 I HN 0.454 nan 8.210 nan 0.000 0.448 415 D N 7.764 128.404 120.400 0.400 0.000 2.347 415 D HA 0.282 4.921 4.640 -0.001 0.000 0.235 415 D C 0.144 176.664 176.300 0.366 0.000 1.149 415 D CA -0.033 54.159 54.000 0.320 0.000 0.850 415 D CB 1.250 42.205 40.800 0.258 0.000 1.061 415 D HN 0.472 nan 8.370 nan 0.000 0.487 416 L N 3.010 124.407 121.223 0.290 0.000 3.014 416 L HA 0.047 4.386 4.340 -0.001 0.000 0.263 416 L C 2.072 179.128 176.870 0.311 0.000 1.207 416 L CA -0.157 54.878 54.840 0.324 0.000 1.017 416 L CB 0.194 42.300 42.059 0.080 0.000 1.360 416 L HN 0.303 nan 8.230 nan 0.000 0.560 417 S N 0.363 116.193 115.700 0.216 0.000 2.442 417 S HA -0.183 4.286 4.470 -0.001 0.000 0.236 417 S C 2.081 176.754 174.600 0.121 0.000 1.007 417 S CA 0.944 59.232 58.200 0.146 0.000 0.965 417 S CB -0.129 63.136 63.200 0.108 0.000 0.773 417 S HN 0.398 nan 8.310 nan 0.000 0.504 418 A N 0.662 123.552 122.820 0.117 0.000 2.070 418 A HA 0.157 4.476 4.320 -0.001 0.000 0.220 418 A C 1.620 179.129 177.584 -0.125 0.000 1.159 418 A CA 0.911 52.931 52.037 -0.029 0.000 0.656 418 A CB -0.967 17.982 19.000 -0.084 0.000 0.800 418 A HN 0.584 nan 8.150 nan 0.000 0.453 419 F N -0.207 119.727 119.950 -0.026 0.000 2.661 419 F HA 0.044 4.571 4.527 -0.001 0.000 0.298 419 F C 2.234 178.002 175.800 -0.052 0.000 1.137 419 F CA 0.587 58.550 58.000 -0.061 0.000 1.454 419 F CB -0.156 38.767 39.000 -0.129 0.000 1.103 419 F HN 0.135 nan 8.300 nan 0.000 0.577 420 R N 0.766 121.328 120.500 0.104 0.000 2.105 420 R HA -0.238 4.102 4.340 -0.001 0.000 0.239 420 R C 1.874 178.188 176.300 0.024 0.000 1.135 420 R CA 1.760 57.891 56.100 0.051 0.000 0.967 420 R CB -1.030 29.290 30.300 0.034 0.000 0.861 420 R HN 0.526 nan 8.270 nan 0.000 0.442 421 N N 1.328 120.029 118.700 0.003 0.000 2.322 421 N HA -0.241 4.499 4.740 -0.001 0.000 0.189 421 N C 0.777 176.287 175.510 0.001 0.000 1.012 421 N CA 1.630 54.673 53.050 -0.011 0.000 0.880 421 N CB -0.120 38.346 38.487 -0.034 0.000 0.967 421 N HN 0.504 nan 8.380 nan 0.000 0.439 422 E N -1.308 118.903 120.200 0.018 0.000 2.734 422 E HA 0.339 4.689 4.350 -0.001 0.000 0.211 422 E C -0.013 176.599 176.600 0.020 0.000 0.991 422 E CA -0.636 55.777 56.400 0.022 0.000 1.065 422 E CB 0.533 30.256 29.700 0.038 0.000 1.047 422 E HN 0.317 nan 8.360 nan 0.000 0.470 423 G N 1.756 110.566 108.800 0.017 0.000 3.014 423 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.683 423 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.683 423 G C -0.983 173.920 174.900 0.005 0.000 1.271 423 G CA -0.993 44.110 45.100 0.005 0.000 0.843 423 G HN 0.156 nan 8.290 nan 0.000 0.612 424 Q N 1.323 121.122 119.800 -0.002 0.000 2.255 424 Q HA 0.429 4.769 4.340 -0.001 0.000 0.280 424 Q C 0.797 176.769 176.000 -0.046 0.000 1.068 424 Q CA 0.054 55.852 55.803 -0.009 0.000 0.911 424 Q CB 0.389 29.127 28.738 -0.000 0.000 1.157 424 Q HN 0.577 nan 8.270 nan 0.000 0.380 425 L N 3.425 124.597 121.223 -0.085 0.000 2.490 425 L HA 0.157 4.497 4.340 -0.001 0.000 0.274 425 L C 0.074 176.809 176.870 -0.226 0.000 1.201 425 L CA 0.083 54.811 54.840 -0.186 0.000 0.869 425 L CB 0.615 42.500 42.059 -0.291 0.000 1.123 425 L HN 0.660 nan 8.230 nan 0.000 0.484 426 S N 2.248 117.826 115.700 -0.204 0.000 2.537 426 S HA 0.599 5.069 4.470 -0.001 0.000 0.301 426 S C -0.594 173.893 174.600 -0.189 0.000 1.092 426 S CA -0.554 57.567 58.200 -0.132 0.000 1.048 426 S CB 1.317 64.507 63.200 -0.016 0.000 1.053 426 S HN 0.208 nan 8.310 nan 0.000 0.501 427 F N 1.802 121.770 119.950 0.030 0.000 2.385 427 F HA 0.556 5.082 4.527 -0.001 0.000 0.336 427 F C 0.425 176.234 175.800 0.016 0.000 1.100 427 F CA -0.576 57.439 58.000 0.025 0.000 1.116 427 F CB 1.280 40.289 39.000 0.014 0.000 1.166 427 F HN 0.332 nan 8.300 nan 0.000 0.511 428 V N 0.727 120.757 119.914 0.194 0.000 2.823 428 V HA 0.442 4.562 4.120 -0.001 0.000 0.312 428 V C 0.022 176.124 176.094 0.015 0.000 1.072 428 V CA -0.810 61.526 62.300 0.061 0.000 0.937 428 V CB 1.889 33.697 31.823 -0.026 0.000 1.013 428 V HN 0.706 nan 8.190 nan 0.000 0.430 429 Q N 1.144 120.934 119.800 -0.016 0.000 2.008 429 Q HA 0.089 4.429 4.340 -0.001 0.000 0.196 429 Q C 0.605 176.563 176.000 -0.070 0.000 0.973 429 Q CA 1.911 57.697 55.803 -0.028 0.000 0.826 429 Q CB 0.045 28.771 28.738 -0.021 0.000 0.894 429 Q HN 0.946 nan 8.270 nan 0.000 0.439 430 D N -0.372 119.964 120.400 -0.106 0.000 2.538 430 D HA 0.095 4.735 4.640 -0.001 0.000 0.241 430 D C -0.231 175.945 176.300 -0.207 0.000 1.297 430 D CA 0.128 54.047 54.000 -0.136 0.000 0.804 430 D CB 1.062 41.817 40.800 -0.075 0.000 1.122 430 D HN 0.309 nan 8.370 nan 0.000 0.519 431 Q N -0.462 119.192 119.800 -0.244 0.000 2.391 431 Q HA 0.449 4.788 4.340 -0.001 0.000 0.279 431 Q C -1.381 174.477 176.000 -0.238 0.000 1.028 431 Q CA -0.791 54.869 55.803 -0.237 0.000 0.836 431 Q CB 1.336 30.015 28.738 -0.098 0.000 1.414 431 Q HN -0.197 nan 8.270 nan 0.000 0.397 432 F N 1.287 121.218 119.950 -0.033 0.000 2.385 432 F HA 0.251 4.778 4.527 -0.001 0.000 0.336 432 F C 1.735 177.546 175.800 0.018 0.000 1.100 432 F CA 0.007 58.010 58.000 0.005 0.000 1.116 432 F CB 1.982 40.975 39.000 -0.011 0.000 1.166 432 F HN 0.875 nan 8.300 nan 0.000 0.511 433 T N -1.405 113.303 114.554 0.256 0.000 2.937 433 T HA 0.243 4.593 4.350 -0.001 0.000 0.260 433 T C 1.571 176.356 174.700 0.142 0.000 1.051 433 T CA 0.779 62.967 62.100 0.145 0.000 1.141 433 T CB 0.045 68.975 68.868 0.104 0.000 0.879 433 T HN 1.042 nan 8.240 nan 0.000 0.459 434 G N 1.161 110.077 108.800 0.194 0.000 2.231 434 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.206 434 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.206 434 G C 0.860 175.812 174.900 0.087 0.000 0.996 434 G CA 0.206 45.416 45.100 0.183 0.000 0.645 434 G HN 0.519 nan 8.290 nan 0.000 0.498 435 K N 0.996 121.422 120.400 0.043 0.000 2.515 435 K HA 0.378 4.698 4.320 -0.001 0.000 0.196 435 K C 1.526 178.061 176.600 -0.109 0.000 1.038 435 K CA 0.648 56.925 56.287 -0.017 0.000 0.967 435 K CB -0.083 32.419 32.500 0.003 0.000 0.780 435 K HN 1.503 nan 8.250 nan 0.000 0.483 436 G N 1.348 110.015 108.800 -0.222 0.000 2.829 436 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.628 436 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.628 436 G C -0.494 174.255 174.900 -0.252 0.000 1.412 436 G CA -0.174 44.636 45.100 -0.484 0.000 0.864 436 G HN 0.224 nan 8.290 nan 0.000 0.544 437 Q N -1.001 118.636 119.800 -0.271 0.000 2.463 437 Q HA -0.156 4.184 4.340 -0.001 0.000 0.299 437 Q C 0.081 176.000 176.000 -0.135 0.000 1.353 437 Q CA 2.416 58.115 55.803 -0.174 0.000 0.828 437 Q CB -1.328 27.346 28.738 -0.108 0.000 1.157 437 Q HN 0.859 nan 8.270 nan 0.000 0.436 438 E N -1.257 118.893 120.200 -0.082 0.000 2.256 438 E HA 0.700 5.050 4.350 -0.001 0.000 0.267 438 E C -0.834 175.843 176.600 0.128 0.000 0.892 438 E CA -1.027 55.406 56.400 0.056 0.000 0.775 438 E CB 2.192 32.062 29.700 0.284 0.000 1.207 438 E HN 0.034 nan 8.360 nan 0.000 0.420 439 V N 2.664 122.597 119.914 0.032 0.000 2.555 439 V HA 0.504 4.624 4.120 -0.001 0.000 0.302 439 V C -0.355 175.851 176.094 0.186 0.000 1.038 439 V CA -0.726 61.606 62.300 0.054 0.000 0.887 439 V CB 1.727 33.396 31.823 -0.258 0.000 0.991 439 V HN 0.681 nan 8.190 nan 0.000 0.434 440 M N 5.035 124.775 119.600 0.232 0.000 2.457 440 M HA 0.633 5.113 4.480 -0.001 0.000 0.300 440 M C -2.221 174.187 176.300 0.182 0.000 1.141 440 M CA -0.614 54.758 55.300 0.122 0.000 0.901 440 M CB 2.138 34.627 32.600 -0.185 0.000 1.687 440 M HN 0.534 nan 8.290 nan 0.000 0.449 441 L N 4.577 125.879 121.223 0.133 0.000 2.313 441 L HA 0.506 4.846 4.340 -0.001 0.000 0.283 441 L C -0.676 176.268 176.870 0.124 0.000 1.013 441 L CA -0.733 54.171 54.840 0.107 0.000 0.816 441 L CB 1.783 43.884 42.059 0.070 0.000 1.236 441 L HN 0.621 nan 8.230 nan 0.000 0.419 442 Q N 3.567 123.462 119.800 0.159 0.000 2.325 442 Q HA 0.228 4.568 4.340 -0.001 0.000 0.270 442 Q C -1.274 174.856 176.000 0.215 0.000 1.020 442 Q CA -0.276 55.636 55.803 0.182 0.000 0.785 442 Q CB 3.009 31.891 28.738 0.240 0.000 1.259 442 Q HN 0.634 nan 8.270 nan 0.000 0.452 443 W N 4.643 125.948 121.300 0.007 0.000 2.338 443 W HA 0.195 4.854 4.660 -0.001 0.000 0.307 443 W C -0.781 175.743 176.519 0.008 0.000 1.167 443 W CA -0.334 57.011 57.345 0.001 0.000 1.208 443 W CB 1.056 30.516 29.460 0.001 0.000 1.228 443 W HN 0.514 nan 8.180 nan 0.000 0.499 444 D N 5.132 125.131 120.400 -0.669 0.000 2.485 444 D HA 0.283 4.923 4.640 -0.001 0.000 0.221 444 D C 1.070 176.737 176.300 -1.056 0.000 1.112 444 D CA 0.094 53.723 54.000 -0.619 0.000 0.911 444 D CB 1.261 41.832 40.800 -0.382 0.000 1.019 444 D HN 0.471 nan 8.370 nan 0.000 0.516 445 A N 3.775 126.078 122.820 -0.861 0.000 1.892 445 A HA -0.151 4.169 4.320 -0.001 0.000 0.218 445 A C 2.162 179.561 177.584 -0.309 0.000 1.188 445 A CA 2.001 53.718 52.037 -0.533 0.000 0.631 445 A CB -0.581 18.377 19.000 -0.070 0.000 0.822 445 A HN 0.608 nan 8.150 nan 0.000 0.447 446 A N -0.216 122.466 122.820 -0.231 0.000 1.908 446 A HA -0.193 4.126 4.320 -0.001 0.000 0.218 446 A C 1.792 179.288 177.584 -0.146 0.000 1.181 446 A CA 1.826 53.779 52.037 -0.139 0.000 0.627 446 A CB -0.437 18.501 19.000 -0.103 0.000 0.818 446 A HN 0.595 nan 8.150 nan 0.000 0.445 447 N N -1.119 117.450 118.700 -0.218 0.000 2.220 447 N HA 0.080 4.820 4.740 -0.001 0.000 0.195 447 N C -0.154 175.232 175.510 -0.208 0.000 1.123 447 N CA 0.783 53.734 53.050 -0.164 0.000 0.874 447 N CB 0.572 38.990 38.487 -0.115 0.000 0.995 447 N HN 0.240 nan 8.380 nan 0.000 0.498 448 S N 0.691 116.133 115.700 -0.431 0.000 3.749 448 S HA -0.128 4.342 4.470 -0.001 0.000 0.348 448 S C -0.247 174.158 174.600 -0.325 0.000 1.045 448 S CA 0.413 58.335 58.200 -0.465 0.000 1.051 448 S CB -1.138 62.079 63.200 0.029 0.000 0.898 448 S HN 0.275 nan 8.310 nan 0.000 0.472 449 I N 1.311 121.593 120.570 -0.481 0.000 2.474 449 I HA 0.405 4.575 4.170 -0.001 0.000 0.294 449 I C 0.640 176.698 176.117 -0.100 0.000 1.005 449 I CA -0.208 61.016 61.300 -0.128 0.000 1.113 449 I CB 1.828 39.799 38.000 -0.048 0.000 1.289 449 I HN 0.023 nan 8.210 nan 0.000 0.436 450 T N 5.310 119.924 114.554 0.101 0.000 2.758 450 T HA 0.354 4.704 4.350 -0.001 0.000 0.285 450 T C 0.086 174.715 174.700 -0.118 0.000 0.981 450 T CA -0.614 61.564 62.100 0.130 0.000 0.965 450 T CB 0.511 69.498 68.868 0.198 0.000 0.927 450 T HN 0.311 nan 8.240 nan 0.000 0.448 451 N N 3.144 121.744 118.700 -0.167 0.000 2.422 451 N HA 0.300 5.039 4.740 -0.001 0.000 0.266 451 N C -0.801 174.450 175.510 -0.433 0.000 1.007 451 N CA -0.436 52.344 53.050 -0.449 0.000 0.941 451 N CB 1.435 39.640 38.487 -0.470 0.000 1.115 451 N HN 0.572 nan 8.380 nan 0.000 0.492 452 L N 3.381 124.283 121.223 -0.535 0.000 2.255 452 L HA 0.457 4.797 4.340 -0.001 0.000 0.289 452 L C -1.092 175.560 176.870 -0.365 0.000 1.046 452 L CA -0.737 53.917 54.840 -0.310 0.000 0.816 452 L CB 0.444 42.346 42.059 -0.261 0.000 1.197 452 L HN 0.448 nan 8.230 nan 0.000 0.427 453 W N 5.955 127.273 121.300 0.029 0.000 2.551 453 W HA 0.613 5.272 4.660 -0.001 0.000 0.330 453 W C -0.702 175.949 176.519 0.219 0.000 1.063 453 W CA -0.504 56.922 57.345 0.136 0.000 1.222 453 W CB 1.591 31.203 29.460 0.252 0.000 1.349 453 W HN 0.286 nan 8.180 nan 0.000 0.536 454 L N 3.444 124.924 121.223 0.427 0.000 2.441 454 L HA 0.358 4.697 4.340 -0.001 0.000 0.270 454 L C -0.799 176.063 176.870 -0.014 0.000 0.973 454 L CA -0.727 54.172 54.840 0.098 0.000 0.842 454 L CB 1.145 43.020 42.059 -0.306 0.000 1.239 454 L HN 0.568 nan 8.230 nan 0.000 0.406 455 H N 4.978 123.837 119.070 -0.350 0.000 2.820 455 H HA 0.218 4.773 4.556 -0.001 0.000 0.278 455 H C -0.563 174.588 175.328 -0.295 0.000 1.142 455 H CA -0.466 55.287 56.048 -0.491 0.000 1.346 455 H CB 0.880 30.063 29.762 -0.965 0.000 1.438 455 H HN 0.675 nan 8.280 nan 0.000 0.473 456 E N 3.407 123.498 120.200 -0.183 0.000 2.343 456 E HA 0.342 4.692 4.350 -0.001 0.000 0.269 456 E C -0.480 176.067 176.600 -0.088 0.000 1.047 456 E CA -0.750 55.554 56.400 -0.159 0.000 0.874 456 E CB 0.866 30.481 29.700 -0.141 0.000 1.033 456 E HN 0.746 nan 8.360 nan 0.000 0.409 457 A N 2.458 125.245 122.820 -0.055 0.000 2.511 457 A HA 0.390 4.710 4.320 -0.001 0.000 0.242 457 A C 1.144 178.760 177.584 0.054 0.000 1.069 457 A CA 0.713 52.718 52.037 -0.053 0.000 0.763 457 A CB -0.356 18.626 19.000 -0.029 0.000 1.001 457 A HN 0.968 nan 8.150 nan 0.000 0.498 458 G N 1.216 110.013 108.800 -0.004 0.000 2.217 458 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.246 458 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.246 458 G C 0.225 175.083 174.900 -0.071 0.000 0.990 458 G CA 0.418 45.502 45.100 -0.028 0.000 0.627 458 G HN 1.037 nan 8.290 nan 0.000 0.522 459 H N 0.978 120.050 119.070 0.005 0.000 2.552 459 H HA 0.465 5.020 4.556 -0.001 0.000 0.311 459 H C 1.038 176.453 175.328 0.145 0.000 1.071 459 H CA 0.343 56.434 56.048 0.072 0.000 1.307 459 H CB 1.653 31.480 29.762 0.108 0.000 1.416 459 H HN 0.177 nan 8.280 nan 0.000 0.464 460 S N 2.297 118.093 115.700 0.161 0.000 2.406 460 S HA -0.071 4.399 4.470 -0.001 0.000 0.228 460 S C 1.075 175.722 174.600 0.079 0.000 1.020 460 S CA 0.606 58.882 58.200 0.126 0.000 0.965 460 S CB 0.176 63.405 63.200 0.048 0.000 0.798 460 S HN 0.708 nan 8.310 nan 0.000 0.488 461 S N 0.293 116.031 115.700 0.063 0.000 2.648 461 S HA 0.611 5.081 4.470 -0.001 0.000 0.305 461 S C -0.472 174.068 174.600 -0.099 0.000 1.094 461 S CA -0.947 57.210 58.200 -0.072 0.000 0.983 461 S CB 1.562 64.750 63.200 -0.020 0.000 1.101 461 S HN -0.052 nan 8.310 nan 0.000 0.514 462 V N 2.658 122.421 119.914 -0.252 0.000 2.397 462 V HA 0.170 4.289 4.120 -0.001 0.000 0.262 462 V C -0.102 176.019 176.094 0.044 0.000 1.047 462 V CA 0.059 62.242 62.300 -0.195 0.000 1.003 462 V CB -0.231 31.417 31.823 -0.291 0.000 1.037 462 V HN 0.906 nan 8.190 nan 0.000 0.480 463 D N 3.070 123.517 120.400 0.078 0.000 2.398 463 D HA 0.138 4.777 4.640 -0.001 0.000 0.210 463 D C -0.038 176.346 176.300 0.141 0.000 1.094 463 D CA 0.305 54.374 54.000 0.115 0.000 0.839 463 D CB 0.671 41.545 40.800 0.124 0.000 0.963 463 D HN 0.478 nan 8.370 nan 0.000 0.506 464 F N 1.770 121.712 119.950 -0.012 0.000 2.458 464 F HA 0.508 5.035 4.527 -0.001 0.000 0.336 464 F C -1.181 174.563 175.800 -0.093 0.000 1.114 464 F CA -1.137 56.826 58.000 -0.061 0.000 0.987 464 F CB 1.334 40.255 39.000 -0.132 0.000 1.130 464 F HN -0.267 nan 8.300 nan 0.000 0.458 465 L N 6.854 127.624 121.223 -0.753 0.000 2.526 465 L HA 0.740 5.079 4.340 -0.001 0.000 0.263 465 L C -2.010 174.280 176.870 -0.967 0.000 0.943 465 L CA -0.501 53.816 54.840 -0.871 0.000 0.859 465 L CB 2.144 43.626 42.059 -0.963 0.000 1.313 465 L HN 0.366 nan 8.230 nan 0.000 0.406 466 V N 5.111 124.489 119.914 -0.894 0.000 2.483 466 V HA 0.599 4.719 4.120 -0.001 0.000 0.297 466 V C -0.247 175.408 176.094 -0.730 0.000 1.027 466 V CA -0.581 61.283 62.300 -0.726 0.000 0.855 466 V CB 1.826 33.262 31.823 -0.645 0.000 0.995 466 V HN 0.728 nan 8.190 nan 0.000 0.424 467 R N 4.875 124.890 120.500 -0.809 0.000 2.368 467 R HA 0.715 5.055 4.340 -0.001 0.000 0.302 467 R C -1.061 174.998 176.300 -0.402 0.000 1.002 467 R CA -0.512 55.072 56.100 -0.861 0.000 0.929 467 R CB 1.759 31.080 30.300 -1.632 0.000 1.073 467 R HN 0.576 nan 8.270 nan 0.000 0.464 468 I N 2.346 122.796 120.570 -0.200 0.000 2.436 468 I HA 0.193 4.362 4.170 -0.001 0.000 0.289 468 I C -0.129 176.087 176.117 0.166 0.000 1.010 468 I CA -1.047 60.239 61.300 -0.023 0.000 1.098 468 I CB 2.283 40.175 38.000 -0.181 0.000 1.266 468 I HN 0.255 nan 8.210 nan 0.000 0.434 469 V N 6.107 126.153 119.914 0.220 0.000 2.287 469 V HA 0.659 4.778 4.120 -0.001 0.000 0.246 469 V C 0.737 176.944 176.094 0.188 0.000 1.165 469 V CA 0.142 62.551 62.300 0.182 0.000 1.088 469 V CB -0.795 31.064 31.823 0.061 0.000 1.242 469 V HN 1.081 nan 8.190 nan 0.000 0.497 470 G N 3.950 112.910 108.800 0.267 0.000 2.361 470 G HA2 0.063 4.023 3.960 -0.001 0.000 0.331 470 G HA3 0.063 4.023 3.960 -0.001 0.000 0.331 470 G C -1.192 173.929 174.900 0.370 0.000 1.324 470 G CA -0.974 44.313 45.100 0.312 0.000 0.984 470 G HN 0.399 nan 8.290 nan 0.000 0.586 471 Q N -0.652 119.269 119.800 0.201 0.000 2.306 471 Q HA 0.636 4.976 4.340 -0.001 0.000 0.241 471 Q C 0.183 176.269 176.000 0.143 0.000 0.948 471 Q CA 0.206 56.003 55.803 -0.010 0.000 0.886 471 Q CB 1.652 30.214 28.738 -0.292 0.000 1.227 471 Q HN 1.354 nan 8.270 nan 0.000 0.457 472 A N 0.492 123.354 122.820 0.070 0.000 2.549 472 A HA 0.786 5.106 4.320 -0.001 0.000 0.297 472 A C -1.581 176.033 177.584 0.049 0.000 1.061 472 A CA -0.474 51.654 52.037 0.152 0.000 0.690 472 A CB 1.656 20.622 19.000 -0.056 0.000 1.287 472 A HN 0.693 nan 8.150 nan 0.000 0.402 473 A N 0.381 123.252 122.820 0.084 0.000 2.330 473 A HA 0.629 4.949 4.320 -0.001 0.000 0.329 473 A C 0.830 178.388 177.584 -0.044 0.000 1.135 473 A CA -0.069 51.963 52.037 -0.008 0.000 0.817 473 A CB 1.076 20.067 19.000 -0.015 0.000 1.269 473 A HN 1.041 nan 8.150 nan 0.000 0.469 474 Q N 0.795 120.498 119.800 -0.162 0.000 2.152 474 Q HA -0.191 4.149 4.340 -0.001 0.000 0.206 474 Q C 1.643 177.446 176.000 -0.329 0.000 0.985 474 Q CA 2.363 57.928 55.803 -0.398 0.000 0.863 474 Q CB -0.164 28.215 28.738 -0.597 0.000 0.904 474 Q HN 0.936 nan 8.270 nan 0.000 0.422 475 S N -0.374 115.227 115.700 -0.164 0.000 2.603 475 S HA -0.057 4.412 4.470 -0.001 0.000 0.229 475 S C 0.678 175.305 174.600 0.046 0.000 0.972 475 S CA 0.757 58.919 58.200 -0.064 0.000 0.935 475 S CB 0.164 63.337 63.200 -0.044 0.000 0.769 475 S HN 0.350 nan 8.310 nan 0.000 0.536 476 D N 0.960 121.421 120.400 0.102 0.000 2.354 476 D HA 0.201 4.841 4.640 -0.001 0.000 0.209 476 D C 0.037 176.506 176.300 0.281 0.000 1.015 476 D CA 0.180 54.326 54.000 0.243 0.000 0.867 476 D CB 0.219 41.276 40.800 0.429 0.000 0.933 476 D HN 0.375 nan 8.370 nan 0.000 0.520 477 I N 2.089 122.797 120.570 0.230 0.000 2.315 477 I HA 0.250 4.420 4.170 -0.001 0.000 0.291 477 I C 0.485 176.809 176.117 0.345 0.000 1.006 477 I CA -0.721 60.769 61.300 0.317 0.000 1.265 477 I CB 0.931 39.209 38.000 0.464 0.000 1.387 477 I HN -0.254 nan 8.210 nan 0.000 0.475 478 I N 7.274 128.009 120.570 0.276 0.000 2.325 478 I HA 0.323 4.492 4.170 -0.001 0.000 0.291 478 I C 0.431 176.662 176.117 0.190 0.000 1.019 478 I CA -0.496 60.939 61.300 0.226 0.000 1.302 478 I CB 1.186 39.301 38.000 0.192 0.000 1.401 478 I HN 0.408 nan 8.210 nan 0.000 0.485 479 V N 0.000 120.012 119.914 0.164 0.000 2.409 479 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 479 V CA 0.000 62.340 62.300 0.067 0.000 1.235 479 V CB 0.000 31.783 31.823 -0.067 0.000 1.184 479 V HN 0.000 nan 8.190 nan 0.000 0.556