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 3nod_1_A DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSDXXXXX XSCLGSIMNP KSLTRGPRDK DATA SEQUENCE PTPLEELLPH AIEFINQYYG SFKEAKIEEH LARLEAVTKE IETTGTYQLT DATA SEQUENCE LDELIFATKM AWRNAPRCIG RIQWSNLQVF DARNCSTAQE MFQHICRHIL DATA SEQUENCE YATNNGNIRS AITVFPQRSD GKHDFRLWNS QLIRYAGYQM PDGTIRGDAA DATA SEQUENCE TLEFTQLCID LGWKPRYGRF DVLPLVLQAD GQDPEVFEIP PDLVLEVTME DATA SEQUENCE HPKYEWFQEL GLKWYALPAV ANMLLEVGGL EFPACPFNGW YMGTEIGVRD DATA SEQUENCE FCDTQRYNIL EEVGRRMGLE THTLASLWKD RAVTEINVAV LHSFQKQNVT DATA SEQUENCE IMDHHTASES FMKHMQNEYR ARGGCPADWI WLVPPVSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ IEPWKTHIWQ 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 77 Q HA 0.000 nan 4.340 nan 0.000 0.214 77 Q C 0.000 176.206 176.000 0.343 0.000 1.003 77 Q CA 0.000 55.849 55.803 0.077 0.000 1.022 77 Q CB 0.000 28.660 28.738 -0.130 0.000 1.108 78 Y N -1.790 118.651 120.300 0.235 0.000 2.713 78 Y HA 0.701 5.251 4.550 -0.000 0.000 0.335 78 Y C -1.642 174.297 175.900 0.065 0.000 1.222 78 Y CA -1.293 56.959 58.100 0.253 0.000 1.061 78 Y CB 0.835 39.398 38.460 0.172 0.000 1.314 78 Y HN -0.197 nan 8.280 nan 0.000 0.453 79 V N 2.806 122.907 119.914 0.311 0.000 2.459 79 V HA 0.543 4.663 4.120 -0.000 0.000 0.295 79 V C -0.099 176.124 176.094 0.215 0.000 1.029 79 V CA -0.889 61.469 62.300 0.096 0.000 0.874 79 V CB 1.452 33.118 31.823 -0.261 0.000 0.985 79 V HN 0.801 nan 8.190 nan 0.000 0.438 80 R N 4.275 124.916 120.500 0.235 0.000 2.340 80 R HA 0.612 4.952 4.340 -0.000 0.000 0.300 80 R C -1.150 175.183 176.300 0.056 0.000 1.069 80 R CA -0.256 55.976 56.100 0.220 0.000 0.984 80 R CB 0.600 31.046 30.300 0.244 0.000 1.003 80 R HN 0.688 nan 8.270 nan 0.000 0.459 81 I N 4.183 124.746 120.570 -0.013 0.000 2.466 81 I HA 0.290 4.460 4.170 -0.000 0.000 0.289 81 I C -0.501 175.528 176.117 -0.147 0.000 1.026 81 I CA -0.700 60.561 61.300 -0.066 0.000 1.078 81 I CB 2.083 40.047 38.000 -0.059 0.000 1.249 81 I HN 0.517 nan 8.210 nan 0.000 0.429 82 K N 5.814 126.079 120.400 -0.224 0.000 2.259 82 K HA 0.350 4.670 4.320 -0.000 0.000 0.249 82 K C -0.783 175.561 176.600 -0.427 0.000 0.942 82 K CA -0.696 55.349 56.287 -0.403 0.000 0.816 82 K CB 1.625 33.706 32.500 -0.699 0.000 1.155 82 K HN 0.547 nan 8.250 nan 0.000 0.428 83 N N 4.007 122.495 118.700 -0.353 0.000 2.527 83 N HA 0.074 4.814 4.740 -0.000 0.000 0.236 83 N C -0.251 175.138 175.510 -0.201 0.000 0.999 83 N CA -0.365 52.565 53.050 -0.199 0.000 0.935 83 N CB 0.394 38.823 38.487 -0.097 0.000 1.132 83 N HN 0.661 nan 8.380 nan 0.000 0.511 84 W N 2.629 123.944 121.300 0.025 0.000 2.747 84 W HA 0.079 4.739 4.660 -0.000 0.000 0.244 84 W C 1.878 178.412 176.519 0.025 0.000 1.270 84 W CA -0.028 57.336 57.345 0.032 0.000 1.333 84 W CB 0.248 29.732 29.460 0.040 0.000 1.139 84 W HN 0.617 nan 8.180 nan 0.000 0.662 85 G N -0.219 108.679 108.800 0.163 0.000 2.615 85 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.213 85 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.213 85 G C 1.511 176.454 174.900 0.071 0.000 1.215 85 G CA 0.821 45.988 45.100 0.111 0.000 0.843 85 G HN 0.212 nan 8.290 nan 0.000 0.571 86 S N -0.174 115.545 115.700 0.031 0.000 2.562 86 S HA 0.326 4.796 4.470 -0.000 0.000 0.221 86 S C 1.951 176.547 174.600 -0.008 0.000 0.975 86 S CA 1.100 59.307 58.200 0.012 0.000 0.918 86 S CB -0.030 63.168 63.200 -0.004 0.000 0.772 86 S HN 1.680 nan 8.310 nan 0.000 0.531 87 G N 1.134 109.916 108.800 -0.031 0.000 2.189 87 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.267 87 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.267 87 G C -0.134 174.688 174.900 -0.130 0.000 0.975 87 G CA 0.440 45.492 45.100 -0.081 0.000 0.644 87 G HN 0.760 nan 8.290 nan 0.000 0.537 88 E N 0.629 120.760 120.200 -0.116 0.000 2.384 88 E HA 0.416 4.766 4.350 -0.000 0.000 0.266 88 E C 0.984 177.476 176.600 -0.180 0.000 1.012 88 E CA -0.454 55.872 56.400 -0.124 0.000 0.901 88 E CB 0.183 29.826 29.700 -0.095 0.000 0.967 88 E HN 0.553 nan 8.360 nan 0.000 0.435 89 I N 3.007 123.467 120.570 -0.183 0.000 2.412 89 I HA 0.440 4.610 4.170 -0.000 0.000 0.296 89 I C -0.530 175.394 176.117 -0.320 0.000 0.987 89 I CA -0.954 60.210 61.300 -0.225 0.000 1.180 89 I CB 1.034 38.932 38.000 -0.170 0.000 1.340 89 I HN 0.356 nan 8.210 nan 0.000 0.455 90 L N 4.780 125.804 121.223 -0.331 0.000 2.354 90 L HA 0.524 4.864 4.340 -0.000 0.000 0.264 90 L C -1.012 175.619 176.870 -0.399 0.000 1.008 90 L CA -0.685 53.917 54.840 -0.397 0.000 0.819 90 L CB 2.481 44.413 42.059 -0.211 0.000 1.339 90 L HN 0.641 nan 8.230 nan 0.000 0.420 91 H N 0.351 119.286 119.070 -0.224 0.000 2.638 91 H HA 0.191 4.747 4.556 -0.000 0.000 0.317 91 H C -1.025 174.164 175.328 -0.232 0.000 1.006 91 H CA -0.743 55.073 56.048 -0.386 0.000 1.222 91 H CB 1.691 30.904 29.762 -0.915 0.000 1.419 91 H HN 0.383 nan 8.280 nan 0.000 0.489 92 D N 2.665 123.069 120.400 0.007 0.000 2.325 92 D HA 0.036 4.676 4.640 -0.000 0.000 0.251 92 D C 0.289 176.723 176.300 0.224 0.000 1.196 92 D CA 0.156 54.196 54.000 0.066 0.000 0.866 92 D CB 1.422 42.233 40.800 0.017 0.000 1.101 92 D HN 0.577 nan 8.370 nan 0.000 0.476 93 T N 4.010 118.665 114.554 0.168 0.000 3.042 93 T HA 0.048 4.398 4.350 -0.000 0.000 0.245 93 T C 2.084 176.795 174.700 0.017 0.000 1.029 93 T CA -0.151 62.041 62.100 0.154 0.000 1.120 93 T CB 0.125 69.066 68.868 0.123 0.000 0.917 93 T HN 0.365 nan 8.240 nan 0.000 0.467 94 L N 1.727 122.982 121.223 0.054 0.000 2.089 94 L HA -0.258 4.082 4.340 -0.000 0.000 0.213 94 L C 2.565 179.409 176.870 -0.043 0.000 1.079 94 L CA 2.180 57.029 54.840 0.015 0.000 0.758 94 L CB -0.614 41.468 42.059 0.038 0.000 0.891 94 L HN 0.626 nan 8.230 nan 0.000 0.433 95 H N -2.643 116.369 119.070 -0.097 0.000 2.466 95 H HA -0.255 4.301 4.556 -0.000 0.000 0.297 95 H C 1.918 177.196 175.328 -0.084 0.000 1.113 95 H CA 1.957 57.938 56.048 -0.111 0.000 1.273 95 H CB -0.762 28.908 29.762 -0.154 0.000 1.371 95 H HN 0.475 nan 8.280 nan 0.000 0.528 96 H N 1.032 119.797 119.070 -0.509 0.000 2.387 96 H HA 0.001 4.557 4.556 -0.000 0.000 0.299 96 H C 1.278 176.535 175.328 -0.119 0.000 1.090 96 H CA 1.200 57.061 56.048 -0.312 0.000 1.332 96 H CB 0.146 29.724 29.762 -0.307 0.000 1.386 96 H HN 0.417 nan 8.280 nan 0.000 0.516 97 K N 1.122 121.537 120.400 0.025 0.000 2.591 97 K HA 0.193 4.513 4.320 -0.000 0.000 0.197 97 K C 0.574 177.187 176.600 0.022 0.000 1.026 97 K CA -0.133 56.169 56.287 0.024 0.000 1.127 97 K CB 0.434 32.946 32.500 0.019 0.000 0.871 97 K HN 0.194 nan 8.250 nan 0.000 0.507 98 A N 1.079 123.915 122.820 0.027 0.000 2.346 98 A HA 0.119 4.439 4.320 -0.000 0.000 0.255 98 A C 0.430 178.031 177.584 0.028 0.000 1.113 98 A CA 0.042 52.099 52.037 0.033 0.000 0.798 98 A CB 0.268 19.297 19.000 0.048 0.000 1.073 98 A HN 0.153 nan 8.150 nan 0.000 0.502 99 T N 0.386 114.955 114.554 0.025 0.000 2.918 99 T HA 0.305 4.655 4.350 -0.000 0.000 0.283 99 T C 1.104 175.817 174.700 0.021 0.000 1.001 99 T CA -0.001 62.111 62.100 0.020 0.000 1.041 99 T CB 1.014 69.891 68.868 0.015 0.000 1.028 99 T HN 0.528 nan 8.240 nan 0.000 0.511 100 S N 1.698 117.408 115.700 0.016 0.000 2.954 100 S HA 0.179 4.649 4.470 -0.000 0.000 0.234 100 S C 0.951 175.559 174.600 0.013 0.000 0.978 100 S CA -0.074 58.135 58.200 0.015 0.000 1.045 100 S CB -1.233 61.974 63.200 0.011 0.000 0.807 100 S HN 0.876 nan 8.310 nan 0.000 0.508 109 C N 3.239 122.545 119.300 0.010 0.000 2.648 109 C HA 0.244 4.704 4.460 -0.000 0.000 0.415 109 C C 1.806 176.803 174.990 0.013 0.000 1.366 109 C CA -0.260 58.765 59.018 0.012 0.000 1.756 109 C CB -0.749 26.996 27.740 0.008 0.000 2.549 109 C HN 0.751 nan 8.230 nan 0.000 0.597 110 L N 5.227 126.459 121.223 0.016 0.000 2.599 110 L HA 0.092 4.432 4.340 -0.000 0.000 0.230 110 L C 2.438 179.331 176.870 0.039 0.000 1.141 110 L CA 1.298 56.149 54.840 0.018 0.000 0.877 110 L CB -1.643 40.423 42.059 0.011 0.000 1.009 110 L HN 1.084 nan 8.230 nan 0.000 0.447 111 G N 0.061 108.889 108.800 0.046 0.000 2.656 111 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.223 111 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.223 111 G C 1.837 176.804 174.900 0.111 0.000 1.130 111 G CA 1.468 46.612 45.100 0.073 0.000 0.758 111 G HN 0.435 nan 8.290 nan 0.000 0.608 112 S N -0.329 115.434 115.700 0.104 0.000 2.402 112 S HA 0.038 4.507 4.470 -0.000 0.000 0.229 112 S C 1.282 175.985 174.600 0.173 0.000 1.021 112 S CA -0.151 58.132 58.200 0.139 0.000 0.974 112 S CB -0.290 62.974 63.200 0.106 0.000 0.800 112 S HN 0.147 nan 8.310 nan 0.000 0.484 113 I N 2.893 123.543 120.570 0.134 0.000 2.775 113 I HA -0.028 4.142 4.170 -0.000 0.000 0.290 113 I C 1.641 177.858 176.117 0.166 0.000 1.203 113 I CA 0.480 61.871 61.300 0.152 0.000 1.433 113 I CB 0.028 38.079 38.000 0.085 0.000 1.354 113 I HN 0.407 nan 8.210 nan 0.000 0.579 114 M N 4.612 124.364 119.600 0.253 0.000 2.073 114 M HA -0.067 4.413 4.480 -0.000 0.000 0.259 114 M C 0.386 176.619 176.300 -0.111 0.000 1.079 114 M CA 1.501 56.892 55.300 0.152 0.000 1.131 114 M CB -0.213 32.468 32.600 0.135 0.000 1.316 114 M HN 0.512 nan 8.290 nan 0.000 0.415 115 N N 1.666 120.322 118.700 -0.072 0.000 3.044 115 N HA 0.317 5.057 4.740 -0.000 0.000 0.254 115 N C -2.384 173.048 175.510 -0.130 0.000 1.253 115 N CA -0.788 52.097 53.050 -0.276 0.000 0.944 115 N CB 0.499 38.881 38.487 -0.174 0.000 1.217 115 N HN 0.288 nan 8.380 nan 0.000 0.498 116 P HA 0.251 nan 4.420 nan 0.000 0.276 116 P C 0.525 177.804 177.300 -0.035 0.000 1.252 116 P CA -0.410 62.661 63.100 -0.048 0.000 0.802 116 P CB 2.087 33.767 31.700 -0.034 0.000 1.035 117 K N 0.162 120.559 120.400 -0.004 0.000 2.211 117 K HA -0.060 4.260 4.320 -0.000 0.000 0.203 117 K C 1.925 178.551 176.600 0.044 0.000 1.050 117 K CA 1.657 57.953 56.287 0.015 0.000 0.945 117 K CB -0.277 32.229 32.500 0.009 0.000 0.732 117 K HN 0.516 nan 8.250 nan 0.000 0.451 118 S N 0.433 116.153 115.700 0.033 0.000 2.547 118 S HA -0.067 4.403 4.470 -0.000 0.000 0.235 118 S C 1.402 176.052 174.600 0.083 0.000 0.980 118 S CA 0.689 58.918 58.200 0.047 0.000 0.941 118 S CB 0.038 63.247 63.200 0.015 0.000 0.763 118 S HN 0.098 nan 8.310 nan 0.000 0.532 119 L N 0.937 122.220 121.223 0.100 0.000 2.858 119 L HA 0.424 4.764 4.340 -0.000 0.000 0.251 119 L C 0.031 177.139 176.870 0.395 0.000 1.149 119 L CA 0.500 55.444 54.840 0.174 0.000 0.955 119 L CB 0.581 42.688 42.059 0.079 0.000 1.289 119 L HN 0.153 nan 8.230 nan 0.000 0.542 120 T N -0.557 114.192 114.554 0.325 0.000 2.918 120 T HA 0.568 4.918 4.350 -0.000 0.000 0.286 120 T C -0.562 174.268 174.700 0.216 0.000 1.026 120 T CA -0.481 61.799 62.100 0.301 0.000 1.031 120 T CB 2.279 71.225 68.868 0.130 0.000 1.046 120 T HN -0.141 nan 8.240 nan 0.000 0.479 121 R N 1.236 121.811 120.500 0.125 0.000 2.472 121 R HA 0.547 4.887 4.340 -0.000 0.000 0.294 121 R C 0.351 176.637 176.300 -0.023 0.000 1.243 121 R CA -0.346 55.715 56.100 -0.067 0.000 1.023 121 R CB 0.229 30.369 30.300 -0.267 0.000 1.157 121 R HN 0.844 nan 8.270 nan 0.000 0.530 122 G N 3.022 111.805 108.800 -0.028 0.000 2.525 122 G HA2 0.290 4.250 3.960 -0.000 0.000 0.276 122 G HA3 0.290 4.250 3.960 -0.000 0.000 0.276 122 G C -1.832 173.049 174.900 -0.033 0.000 1.388 122 G CA -0.882 44.201 45.100 -0.028 0.000 1.050 122 G HN 0.462 nan 8.290 nan 0.000 0.520 123 P HA 0.344 nan 4.420 nan 0.000 0.291 123 P C 0.097 177.382 177.300 -0.024 0.000 1.287 123 P CA -0.144 62.943 63.100 -0.021 0.000 0.767 123 P CB 0.426 32.115 31.700 -0.018 0.000 1.290 124 R N -1.870 118.617 120.500 -0.021 0.000 2.907 124 R HA 0.306 4.646 4.340 -0.000 0.000 0.266 124 R C -0.897 175.386 176.300 -0.029 0.000 1.031 124 R CA -0.517 55.567 56.100 -0.027 0.000 0.904 124 R CB 0.726 31.007 30.300 -0.032 0.000 1.358 124 R HN 0.285 nan 8.270 nan 0.000 0.438 125 D N -0.692 119.687 120.400 -0.036 0.000 2.215 125 D HA 0.191 4.831 4.640 -0.000 0.000 0.436 125 D C -1.037 175.234 176.300 -0.049 0.000 1.007 125 D CA 0.448 54.423 54.000 -0.043 0.000 0.958 125 D CB 1.007 41.788 40.800 -0.031 0.000 1.469 125 D HN 0.162 nan 8.370 nan 0.000 0.496 126 K N 0.491 120.866 120.400 -0.042 0.000 2.482 126 K HA 0.554 4.874 4.320 -0.000 0.000 0.257 126 K C -2.729 173.850 176.600 -0.035 0.000 0.969 126 K CA -1.699 54.566 56.287 -0.038 0.000 0.842 126 K CB 2.779 35.263 32.500 -0.027 0.000 1.359 126 K HN -0.246 nan 8.250 nan 0.000 0.441 127 P HA 0.028 nan 4.420 nan 0.000 0.280 127 P C -0.689 176.601 177.300 -0.015 0.000 1.278 127 P CA -0.290 62.796 63.100 -0.023 0.000 0.787 127 P CB 0.302 31.993 31.700 -0.014 0.000 1.163 128 T N 1.656 116.206 114.554 -0.007 0.000 2.723 128 T HA 0.247 4.597 4.350 -0.000 0.000 0.297 128 T C -2.244 172.461 174.700 0.007 0.000 0.925 128 T CA -0.988 61.115 62.100 0.005 0.000 1.030 128 T CB -0.514 68.368 68.868 0.023 0.000 0.905 128 T HN 0.240 nan 8.240 nan 0.000 0.502 129 P HA -0.006 nan 4.420 nan 0.000 0.258 129 P C 1.292 178.585 177.300 -0.013 0.000 1.172 129 P CA -0.192 62.904 63.100 -0.008 0.000 0.762 129 P CB 0.360 32.053 31.700 -0.012 0.000 0.764 130 L N 4.060 125.275 121.223 -0.013 0.000 2.030 130 L HA -0.264 4.076 4.340 -0.000 0.000 0.222 130 L C 2.371 179.217 176.870 -0.042 0.000 1.082 130 L CA 2.378 57.206 54.840 -0.019 0.000 0.785 130 L CB -1.464 40.584 42.059 -0.019 0.000 0.895 130 L HN 0.560 nan 8.230 nan 0.000 0.439 131 E N 0.190 120.362 120.200 -0.047 0.000 2.219 131 E HA -0.248 4.102 4.350 -0.000 0.000 0.198 131 E C 1.587 178.120 176.600 -0.113 0.000 0.998 131 E CA 1.650 58.010 56.400 -0.066 0.000 0.818 131 E CB -0.280 29.388 29.700 -0.052 0.000 0.741 131 E HN 0.665 nan 8.360 nan 0.000 0.477 132 E N 0.747 120.875 120.200 -0.119 0.000 2.079 132 E HA 0.106 4.456 4.350 -0.000 0.000 0.191 132 E C 2.399 178.838 176.600 -0.267 0.000 0.961 132 E CA 0.197 56.458 56.400 -0.231 0.000 0.823 132 E CB -0.170 29.472 29.700 -0.096 0.000 0.789 132 E HN 0.115 nan 8.360 nan 0.000 0.459 133 L N 1.333 122.521 121.223 -0.059 0.000 2.043 133 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 133 L C 2.422 179.294 176.870 0.003 0.000 1.075 133 L CA 0.810 55.674 54.840 0.041 0.000 0.752 133 L CB -0.101 41.993 42.059 0.058 0.000 0.891 133 L HN 0.177 nan 8.230 nan 0.000 0.432 134 L N 0.262 121.447 121.223 -0.062 0.000 1.961 134 L HA -0.107 4.233 4.340 -0.000 0.000 0.210 134 L C -0.468 176.366 176.870 -0.061 0.000 1.072 134 L CA 2.131 56.927 54.840 -0.073 0.000 0.749 134 L CB -1.762 40.253 42.059 -0.073 0.000 0.889 134 L HN 0.087 nan 8.230 nan 0.000 0.432 135 P HA -0.154 nan 4.420 nan 0.000 0.215 135 P C 1.292 178.625 177.300 0.055 0.000 1.153 135 P CA 1.536 64.599 63.100 -0.061 0.000 0.853 135 P CB -0.198 31.419 31.700 -0.138 0.000 0.788 136 H N -0.461 118.651 119.070 0.070 0.000 2.319 136 H HA -0.055 4.501 4.556 -0.000 0.000 0.299 136 H C 1.987 177.423 175.328 0.179 0.000 1.092 136 H CA 1.531 57.649 56.048 0.116 0.000 1.302 136 H CB -1.216 28.606 29.762 0.099 0.000 1.373 136 H HN 0.048 nan 8.280 nan 0.000 0.497 137 A N 1.754 124.730 122.820 0.260 0.000 1.865 137 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 137 A C 2.479 180.179 177.584 0.192 0.000 1.191 137 A CA 1.811 53.969 52.037 0.202 0.000 0.623 137 A CB -0.613 18.302 19.000 -0.141 0.000 0.826 137 A HN 0.280 nan 8.150 nan 0.000 0.444 138 I N -0.082 120.544 120.570 0.093 0.000 2.163 138 I HA -0.263 3.907 4.170 -0.000 0.000 0.243 138 I C 2.257 178.462 176.117 0.147 0.000 1.085 138 I CA 1.878 63.230 61.300 0.087 0.000 1.347 138 I CB -2.007 36.018 38.000 0.042 0.000 1.044 138 I HN 0.448 nan 8.210 nan 0.000 0.408 139 E N 0.701 121.006 120.200 0.176 0.000 2.049 139 E HA -0.267 4.083 4.350 -0.000 0.000 0.198 139 E C 2.154 178.884 176.600 0.217 0.000 1.007 139 E CA 1.725 58.239 56.400 0.189 0.000 0.809 139 E CB -0.362 29.469 29.700 0.219 0.000 0.749 139 E HN 0.430 nan 8.360 nan 0.000 0.450 140 F N 1.511 121.569 119.950 0.179 0.000 2.065 140 F HA -0.227 4.300 4.527 -0.000 0.000 0.298 140 F C 2.045 177.964 175.800 0.198 0.000 1.112 140 F CA 1.536 59.661 58.000 0.208 0.000 1.212 140 F CB -0.353 38.791 39.000 0.239 0.000 0.975 140 F HN -0.066 nan 8.300 nan 0.000 0.476 141 I N 0.548 121.094 120.570 -0.040 0.000 2.335 141 I HA -0.363 3.807 4.170 -0.000 0.000 0.251 141 I C 2.218 178.315 176.117 -0.034 0.000 1.129 141 I CA 1.465 62.712 61.300 -0.088 0.000 1.402 141 I CB -0.707 37.365 38.000 0.121 0.000 1.069 141 I HN 0.307 nan 8.210 nan 0.000 0.424 142 N N 0.350 119.078 118.700 0.047 0.000 2.188 142 N HA -0.217 4.523 4.740 -0.000 0.000 0.184 142 N C 1.879 177.378 175.510 -0.018 0.000 1.018 142 N CA 1.103 54.210 53.050 0.095 0.000 0.858 142 N CB -0.085 38.502 38.487 0.166 0.000 0.989 142 N HN 0.510 nan 8.380 nan 0.000 0.426 143 Q N 0.195 119.965 119.800 -0.049 0.000 1.993 143 Q HA -0.216 4.124 4.340 -0.000 0.000 0.202 143 Q C 2.035 177.916 176.000 -0.199 0.000 0.984 143 Q CA 1.435 57.223 55.803 -0.025 0.000 0.837 143 Q CB -0.247 28.541 28.738 0.083 0.000 0.902 143 Q HN 0.351 nan 8.270 nan 0.000 0.423 144 Y N -0.034 119.842 120.300 -0.708 0.000 2.053 144 Y HA -0.336 4.214 4.550 -0.000 0.000 0.277 144 Y C 1.805 177.200 175.900 -0.841 0.000 1.159 144 Y CA 2.287 59.651 58.100 -1.227 0.000 1.125 144 Y CB -0.640 37.090 38.460 -1.216 0.000 0.969 144 Y HN 0.247 nan 8.280 nan 0.000 0.492 145 Y N -0.377 119.752 120.300 -0.284 0.000 2.421 145 Y HA -0.010 4.540 4.550 -0.000 0.000 0.292 145 Y C 2.549 178.287 175.900 -0.271 0.000 1.136 145 Y CA 1.108 59.002 58.100 -0.343 0.000 1.255 145 Y CB -0.738 37.252 38.460 -0.783 0.000 0.991 145 Y HN 0.246 nan 8.280 nan 0.000 0.552 146 G N -1.746 106.993 108.800 -0.101 0.000 2.744 146 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.211 146 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.211 146 G C 1.765 176.655 174.900 -0.016 0.000 1.143 146 G CA 0.828 45.923 45.100 -0.007 0.000 0.788 146 G HN 0.375 nan 8.290 nan 0.000 0.534 147 S N 0.035 115.676 115.700 -0.100 0.000 2.331 147 S HA 0.094 4.564 4.470 -0.000 0.000 0.208 147 S C 0.923 175.518 174.600 -0.009 0.000 1.032 147 S CA -0.413 57.754 58.200 -0.055 0.000 0.991 147 S CB -0.474 62.630 63.200 -0.158 0.000 0.980 147 S HN 0.140 nan 8.310 nan 0.000 0.433 148 F N 3.233 123.080 119.950 -0.171 0.000 2.637 148 F HA 0.073 4.600 4.527 -0.000 0.000 0.372 148 F C 0.742 176.517 175.800 -0.041 0.000 1.107 148 F CA 0.622 58.559 58.000 -0.103 0.000 1.325 148 F CB 0.351 39.270 39.000 -0.136 0.000 1.016 148 F HN 0.249 nan 8.300 nan 0.000 0.593 149 K N 5.937 126.275 120.400 -0.103 0.000 2.448 149 K HA 0.008 4.328 4.320 -0.000 0.000 0.278 149 K C -0.223 176.517 176.600 0.234 0.000 1.009 149 K CA 0.137 56.434 56.287 0.017 0.000 0.995 149 K CB 0.225 32.672 32.500 -0.088 0.000 0.917 149 K HN 0.780 nan 8.250 nan 0.000 0.481 150 E N 0.949 121.240 120.200 0.151 0.000 3.179 150 E HA -0.229 4.121 4.350 -0.000 0.000 0.148 150 E C -0.971 175.735 176.600 0.177 0.000 1.916 150 E CA 0.448 56.936 56.400 0.146 0.000 0.709 150 E CB -1.840 27.936 29.700 0.126 0.000 1.081 150 E HN 0.659 nan 8.360 nan 0.000 0.351 151 A N 3.552 126.462 122.820 0.151 0.000 2.466 151 A HA 0.149 4.469 4.320 -0.000 0.000 0.238 151 A C 0.586 178.251 177.584 0.134 0.000 1.074 151 A CA 0.132 52.265 52.037 0.161 0.000 0.774 151 A CB 0.400 19.502 19.000 0.170 0.000 1.015 151 A HN 0.466 nan 8.150 nan 0.000 0.498 152 K N 2.684 123.185 120.400 0.167 0.000 2.535 152 K HA 0.255 4.575 4.320 -0.000 0.000 0.242 152 K C 0.541 177.203 176.600 0.104 0.000 1.210 152 K CA -0.078 56.284 56.287 0.125 0.000 1.178 152 K CB -0.073 32.514 32.500 0.145 0.000 1.778 152 K HN 0.671 nan 8.250 nan 0.000 0.372 153 I N 1.228 121.851 120.570 0.088 0.000 2.143 153 I HA -0.445 3.725 4.170 -0.000 0.000 0.245 153 I C 2.366 178.462 176.117 -0.036 0.000 1.068 153 I CA 1.494 62.822 61.300 0.047 0.000 1.326 153 I CB -0.492 37.517 38.000 0.016 0.000 1.028 153 I HN 0.488 nan 8.210 nan 0.000 0.412 154 E N 1.991 122.173 120.200 -0.030 0.000 2.038 154 E HA -0.268 4.082 4.350 -0.000 0.000 0.195 154 E C 1.844 178.396 176.600 -0.079 0.000 1.000 154 E CA 1.772 58.142 56.400 -0.050 0.000 0.803 154 E CB -0.753 28.932 29.700 -0.025 0.000 0.750 154 E HN 0.655 nan 8.360 nan 0.000 0.448 155 E N 0.195 120.354 120.200 -0.068 0.000 2.150 155 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 155 E C 2.198 178.576 176.600 -0.371 0.000 0.985 155 E CA 0.934 57.275 56.400 -0.098 0.000 0.814 155 E CB -0.383 29.352 29.700 0.058 0.000 0.752 155 E HN 0.530 nan 8.360 nan 0.000 0.466 156 H N 0.488 119.116 119.070 -0.736 0.000 2.253 156 H HA -0.177 4.379 4.556 -0.000 0.000 0.296 156 H C 1.970 176.963 175.328 -0.558 0.000 1.074 156 H CA 1.120 56.482 56.048 -1.143 0.000 1.263 156 H CB 0.175 29.570 29.762 -0.612 0.000 1.363 156 H HN 0.023 nan 8.280 nan 0.000 0.489 157 L N 1.049 122.119 121.223 -0.255 0.000 2.012 157 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 157 L C 2.987 179.768 176.870 -0.148 0.000 1.073 157 L CA 1.843 56.549 54.840 -0.224 0.000 0.748 157 L CB -1.508 40.439 42.059 -0.186 0.000 0.891 157 L HN 0.473 nan 8.230 nan 0.000 0.431 158 A N -0.565 122.177 122.820 -0.131 0.000 1.873 158 A HA -0.293 4.027 4.320 -0.000 0.000 0.218 158 A C 2.511 180.052 177.584 -0.071 0.000 1.193 158 A CA 2.178 54.165 52.037 -0.084 0.000 0.629 158 A CB -0.553 18.410 19.000 -0.062 0.000 0.826 158 A HN 0.335 nan 8.150 nan 0.000 0.447 159 R N -0.093 120.349 120.500 -0.097 0.000 2.081 159 R HA -0.010 4.330 4.340 -0.000 0.000 0.235 159 R C 1.954 178.237 176.300 -0.027 0.000 1.131 159 R CA 1.632 57.712 56.100 -0.033 0.000 0.960 159 R CB -0.927 29.381 30.300 0.014 0.000 0.856 159 R HN 0.528 nan 8.270 nan 0.000 0.436 160 L N 0.406 121.599 121.223 -0.051 0.000 1.971 160 L HA -0.233 4.107 4.340 -0.000 0.000 0.215 160 L C 2.650 179.486 176.870 -0.057 0.000 1.072 160 L CA 2.031 56.849 54.840 -0.038 0.000 0.758 160 L CB -0.694 41.334 42.059 -0.052 0.000 0.889 160 L HN 0.371 nan 8.230 nan 0.000 0.433 161 E N 0.086 120.248 120.200 -0.063 0.000 2.049 161 E HA -0.297 4.053 4.350 -0.000 0.000 0.198 161 E C 2.168 178.742 176.600 -0.043 0.000 1.007 161 E CA 1.673 58.041 56.400 -0.055 0.000 0.809 161 E CB -0.063 29.605 29.700 -0.055 0.000 0.749 161 E HN 0.485 nan 8.360 nan 0.000 0.450 162 A N 0.505 123.306 122.820 -0.031 0.000 1.908 162 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 162 A C 2.486 180.063 177.584 -0.011 0.000 1.181 162 A CA 1.704 53.735 52.037 -0.011 0.000 0.627 162 A CB -0.629 18.375 19.000 0.006 0.000 0.818 162 A HN 0.203 nan 8.150 nan 0.000 0.445 163 V N -0.432 119.461 119.914 -0.035 0.000 2.323 163 V HA -0.198 3.922 4.120 -0.000 0.000 0.244 163 V C 2.719 178.728 176.094 -0.141 0.000 1.041 163 V CA 2.336 64.577 62.300 -0.099 0.000 1.025 163 V CB -1.376 30.321 31.823 -0.210 0.000 0.656 163 V HN 0.609 nan 8.190 nan 0.000 0.451 164 T N 0.033 114.515 114.554 -0.119 0.000 2.624 164 T HA -0.348 4.002 4.350 -0.000 0.000 0.268 164 T C 1.898 176.559 174.700 -0.064 0.000 1.041 164 T CA 2.284 64.325 62.100 -0.098 0.000 1.159 164 T CB -0.279 68.546 68.868 -0.072 0.000 0.863 164 T HN 0.463 nan 8.240 nan 0.000 0.434 165 K N 0.932 121.306 120.400 -0.043 0.000 1.978 165 K HA -0.204 4.116 4.320 -0.000 0.000 0.214 165 K C 2.435 179.030 176.600 -0.009 0.000 1.049 165 K CA 1.965 58.239 56.287 -0.022 0.000 0.939 165 K CB -0.235 32.256 32.500 -0.014 0.000 0.721 165 K HN 0.430 nan 8.250 nan 0.000 0.441 166 E N 0.429 120.631 120.200 0.003 0.000 2.130 166 E HA -0.228 4.122 4.350 -0.000 0.000 0.196 166 E C 1.951 178.576 176.600 0.041 0.000 0.998 166 E CA 1.616 58.038 56.400 0.036 0.000 0.806 166 E CB -0.102 29.644 29.700 0.077 0.000 0.738 166 E HN 0.418 nan 8.360 nan 0.000 0.459 167 I N 1.315 121.886 120.570 0.002 0.000 2.133 167 I HA -0.280 3.890 4.170 -0.000 0.000 0.238 167 I C 2.522 178.643 176.117 0.006 0.000 1.074 167 I CA 1.733 63.034 61.300 0.002 0.000 1.342 167 I CB -0.591 37.364 38.000 -0.075 0.000 1.053 167 I HN 0.247 nan 8.210 nan 0.000 0.404 168 E N 0.613 120.807 120.200 -0.010 0.000 2.265 168 E HA -0.168 4.182 4.350 -0.000 0.000 0.196 168 E C 1.742 178.344 176.600 0.004 0.000 0.996 168 E CA 1.737 58.133 56.400 -0.007 0.000 0.832 168 E CB -0.497 29.194 29.700 -0.015 0.000 0.756 168 E HN 0.474 nan 8.360 nan 0.000 0.491 169 T N 0.431 114.992 114.554 0.010 0.000 2.894 169 T HA -0.042 4.308 4.350 -0.000 0.000 0.258 169 T C 1.895 176.609 174.700 0.023 0.000 1.043 169 T CA 1.526 63.635 62.100 0.015 0.000 1.141 169 T CB -0.108 68.770 68.868 0.017 0.000 0.873 169 T HN 0.290 nan 8.240 nan 0.000 0.449 170 T N -0.819 113.755 114.554 0.034 0.000 3.034 170 T HA 0.533 4.883 4.350 -0.000 0.000 0.248 170 T C 1.746 176.469 174.700 0.038 0.000 1.040 170 T CA 0.525 62.648 62.100 0.039 0.000 1.107 170 T CB 0.263 69.162 68.868 0.053 0.000 0.932 170 T HN 0.558 nan 8.240 nan 0.000 0.474 171 G N 0.949 109.775 108.800 0.043 0.000 3.141 171 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.205 171 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.205 171 G C 0.454 175.396 174.900 0.070 0.000 1.924 171 G CA 0.143 45.267 45.100 0.040 0.000 1.573 171 G HN 0.665 nan 8.290 nan 0.000 0.591 172 T N 0.515 115.116 114.554 0.078 0.000 2.753 172 T HA 0.633 4.983 4.350 -0.000 0.000 0.309 172 T C -0.096 174.736 174.700 0.220 0.000 1.043 172 T CA 0.981 63.153 62.100 0.120 0.000 0.964 172 T CB 0.648 69.532 68.868 0.026 0.000 1.206 172 T HN 1.677 nan 8.240 nan 0.000 0.528 173 Y N -1.182 119.112 120.300 -0.011 0.000 2.638 173 Y HA 0.667 5.217 4.550 -0.000 0.000 0.335 173 Y C -1.360 174.546 175.900 0.011 0.000 1.155 173 Y CA -1.339 56.766 58.100 0.008 0.000 1.046 173 Y CB 0.828 39.302 38.460 0.023 0.000 1.303 173 Y HN 0.369 nan 8.280 nan 0.000 0.460 174 Q N 2.307 122.100 119.800 -0.011 0.000 2.274 174 Q HA 0.516 4.856 4.340 -0.000 0.000 0.260 174 Q C -1.153 174.826 176.000 -0.036 0.000 0.974 174 Q CA -0.814 54.937 55.803 -0.088 0.000 0.876 174 Q CB 2.781 31.521 28.738 0.004 0.000 1.297 174 Q HN 0.859 nan 8.270 nan 0.000 0.446 175 L N 1.467 122.648 121.223 -0.069 0.000 2.334 175 L HA 0.298 4.638 4.340 -0.000 0.000 0.277 175 L C 0.866 177.766 176.870 0.049 0.000 1.075 175 L CA -0.522 54.334 54.840 0.027 0.000 0.804 175 L CB 1.075 43.149 42.059 0.024 0.000 1.174 175 L HN 0.654 nan 8.230 nan 0.000 0.438 176 T N 0.026 114.610 114.554 0.049 0.000 2.930 176 T HA 0.062 4.412 4.350 -0.000 0.000 0.306 176 T C 1.154 175.886 174.700 0.052 0.000 1.045 176 T CA -0.529 61.590 62.100 0.032 0.000 1.134 176 T CB 0.784 69.648 68.868 -0.007 0.000 0.961 176 T HN 0.561 nan 8.240 nan 0.000 0.545 177 L N 1.633 122.886 121.223 0.051 0.000 2.010 177 L HA -0.170 4.170 4.340 -0.000 0.000 0.219 177 L C 2.375 179.309 176.870 0.107 0.000 1.077 177 L CA 2.406 57.281 54.840 0.058 0.000 0.773 177 L CB -0.780 41.305 42.059 0.045 0.000 0.892 177 L HN 0.914 nan 8.230 nan 0.000 0.436 178 D N -0.690 119.790 120.400 0.134 0.000 2.221 178 D HA -0.217 4.423 4.640 -0.000 0.000 0.204 178 D C 2.034 178.578 176.300 0.407 0.000 0.982 178 D CA 1.312 55.446 54.000 0.224 0.000 0.857 178 D CB 0.052 40.986 40.800 0.222 0.000 0.934 178 D HN 0.583 nan 8.370 nan 0.000 0.475 179 E N -0.315 120.075 120.200 0.316 0.000 2.072 179 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 179 E C 2.297 179.181 176.600 0.473 0.000 0.985 179 E CA 0.216 56.857 56.400 0.402 0.000 0.801 179 E CB -0.017 29.743 29.700 0.100 0.000 0.750 179 E HN 0.293 nan 8.360 nan 0.000 0.452 180 L N 1.011 122.377 121.223 0.239 0.000 2.017 180 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 180 L C 2.386 179.345 176.870 0.149 0.000 1.073 180 L CA 1.111 56.019 54.840 0.114 0.000 0.745 180 L CB -0.233 41.814 42.059 -0.020 0.000 0.894 180 L HN 0.224 nan 8.230 nan 0.000 0.432 181 I N -0.813 119.859 120.570 0.170 0.000 2.087 181 I HA -0.429 3.741 4.170 -0.000 0.000 0.240 181 I C 2.447 178.704 176.117 0.234 0.000 1.054 181 I CA 1.952 63.345 61.300 0.156 0.000 1.311 181 I CB -0.446 37.647 38.000 0.154 0.000 1.024 181 I HN 0.229 nan 8.210 nan 0.000 0.402 182 F N 1.424 121.490 119.950 0.193 0.000 2.126 182 F HA -0.280 4.247 4.527 -0.000 0.000 0.299 182 F C 2.422 178.379 175.800 0.261 0.000 1.096 182 F CA 1.539 59.669 58.000 0.217 0.000 1.255 182 F CB -0.315 38.824 39.000 0.231 0.000 0.997 182 F HN 0.042 nan 8.300 nan 0.000 0.479 183 A N 0.140 123.233 122.820 0.455 0.000 1.851 183 A HA -0.254 4.066 4.320 -0.000 0.000 0.216 183 A C 2.309 179.913 177.584 0.034 0.000 1.195 183 A CA 2.957 55.152 52.037 0.264 0.000 0.622 183 A CB -1.707 17.374 19.000 0.134 0.000 0.831 183 A HN 0.528 nan 8.150 nan 0.000 0.444 184 T N -1.437 113.135 114.554 0.030 0.000 2.699 184 T HA -0.221 4.129 4.350 -0.000 0.000 0.268 184 T C 1.810 176.599 174.700 0.149 0.000 1.036 184 T CA 1.815 63.952 62.100 0.061 0.000 1.147 184 T CB -0.431 68.476 68.868 0.066 0.000 0.862 184 T HN 0.535 nan 8.240 nan 0.000 0.446 185 K N 0.140 120.625 120.400 0.142 0.000 2.057 185 K HA 0.025 4.345 4.320 -0.000 0.000 0.207 185 K C 2.543 179.237 176.600 0.158 0.000 1.049 185 K CA 1.430 57.866 56.287 0.248 0.000 0.931 185 K CB -0.237 32.395 32.500 0.219 0.000 0.714 185 K HN 0.275 nan 8.250 nan 0.000 0.440 186 M N 0.232 119.777 119.600 -0.091 0.000 2.132 186 M HA -0.050 4.430 4.480 -0.000 0.000 0.263 186 M C 2.433 178.653 176.300 -0.134 0.000 1.065 186 M CA 1.328 56.502 55.300 -0.210 0.000 1.122 186 M CB -1.080 31.327 32.600 -0.322 0.000 1.365 186 M HN 0.143 nan 8.290 nan 0.000 0.411 187 A N -0.577 122.139 122.820 -0.173 0.000 1.940 187 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 187 A C 2.030 179.483 177.584 -0.218 0.000 1.176 187 A CA 1.632 53.408 52.037 -0.435 0.000 0.631 187 A CB -1.135 17.234 19.000 -1.051 0.000 0.814 187 A HN 0.678 nan 8.150 nan 0.000 0.446 188 W N 0.735 122.014 121.300 -0.036 0.000 2.379 188 W HA -0.080 4.580 4.660 -0.000 0.000 0.307 188 W C 2.273 178.747 176.519 -0.075 0.000 1.200 188 W CA 1.391 58.764 57.345 0.048 0.000 1.297 188 W CB -0.759 28.706 29.460 0.008 0.000 1.140 188 W HN 0.337 nan 8.180 nan 0.000 0.507 189 R N 0.365 120.833 120.500 -0.052 0.000 2.170 189 R HA -0.191 4.149 4.340 -0.000 0.000 0.242 189 R C 1.129 177.320 176.300 -0.182 0.000 1.145 189 R CA 1.771 57.703 56.100 -0.281 0.000 0.984 189 R CB -0.413 29.614 30.300 -0.455 0.000 0.869 189 R HN 0.097 nan 8.270 nan 0.000 0.455 190 N N -0.319 118.309 118.700 -0.120 0.000 2.280 190 N HA 0.081 4.821 4.740 -0.000 0.000 0.192 190 N C -0.785 174.648 175.510 -0.128 0.000 1.109 190 N CA 0.379 53.386 53.050 -0.072 0.000 0.855 190 N CB 1.161 39.670 38.487 0.037 0.000 0.974 190 N HN 0.123 nan 8.380 nan 0.000 0.482 191 A N 2.360 125.081 122.820 -0.165 0.000 2.437 191 A HA 0.255 4.575 4.320 -0.000 0.000 0.303 191 A C -1.074 176.438 177.584 -0.120 0.000 1.324 191 A CA -1.094 50.788 52.037 -0.258 0.000 0.983 191 A CB 0.406 19.328 19.000 -0.131 0.000 1.142 191 A HN -0.005 nan 8.150 nan 0.000 0.541 192 P HA -0.146 nan 4.420 nan 0.000 0.228 192 P C 0.691 177.957 177.300 -0.055 0.000 1.151 192 P CA 1.002 64.069 63.100 -0.054 0.000 0.770 192 P CB 0.207 31.882 31.700 -0.041 0.000 0.786 193 R N -1.358 119.080 120.500 -0.103 0.000 2.393 193 R HA 0.190 4.530 4.340 -0.000 0.000 0.244 193 R C 0.416 176.757 176.300 0.068 0.000 0.920 193 R CA -0.209 55.869 56.100 -0.036 0.000 1.076 193 R CB -0.090 29.991 30.300 -0.364 0.000 1.119 193 R HN 0.164 nan 8.270 nan 0.000 0.524 194 C N 0.508 119.808 119.300 0.000 0.000 2.322 194 C HA 0.436 4.896 4.460 -0.000 0.000 0.324 194 C C 1.587 176.538 174.990 -0.064 0.000 1.284 194 C CA -0.768 58.267 59.018 0.028 0.000 1.606 194 C CB 0.113 27.935 27.740 0.137 0.000 2.251 194 C HN 0.475 nan 8.230 nan 0.000 0.502 195 I N 4.168 124.668 120.570 -0.115 0.000 3.030 195 I HA 0.147 4.317 4.170 -0.000 0.000 0.270 195 I C 2.253 178.400 176.117 0.049 0.000 1.211 195 I CA 1.025 62.199 61.300 -0.210 0.000 1.479 195 I CB -0.436 37.437 38.000 -0.212 0.000 1.105 195 I HN 0.911 nan 8.210 nan 0.000 0.447 196 G N 1.258 110.093 108.800 0.058 0.000 2.848 196 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.208 196 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.208 196 G C 1.471 176.350 174.900 -0.035 0.000 1.152 196 G CA -0.258 44.876 45.100 0.058 0.000 0.789 196 G HN 0.321 nan 8.290 nan 0.000 0.531 197 R N -0.175 120.215 120.500 -0.184 0.000 2.417 197 R HA 0.021 4.361 4.340 -0.000 0.000 0.220 197 R C 1.880 177.545 176.300 -1.058 0.000 1.128 197 R CA 0.340 55.974 56.100 -0.777 0.000 1.048 197 R CB -0.321 29.634 30.300 -0.575 0.000 0.835 197 R HN 0.449 nan 8.270 nan 0.000 0.483 198 I N 0.690 120.870 120.570 -0.650 0.000 3.111 198 I HA -0.158 4.012 4.170 -0.000 0.000 0.272 198 I C 1.250 177.268 176.117 -0.164 0.000 1.268 198 I CA 0.907 62.015 61.300 -0.320 0.000 1.467 198 I CB 0.197 38.180 38.000 -0.030 0.000 1.087 198 I HN 0.163 nan 8.210 nan 0.000 0.467 199 Q N 0.586 120.201 119.800 -0.309 0.000 2.280 199 Q HA -0.058 4.282 4.340 -0.000 0.000 0.201 199 Q C 1.531 177.190 176.000 -0.568 0.000 0.890 199 Q CA 0.075 55.729 55.803 -0.247 0.000 0.947 199 Q CB -0.052 28.686 28.738 0.001 0.000 1.081 199 Q HN 0.741 nan 8.270 nan 0.000 0.502 200 W N 1.178 121.821 121.300 -1.095 0.000 2.290 200 W HA -0.267 4.393 4.660 -0.000 0.000 0.311 200 W C 1.380 177.715 176.519 -0.307 0.000 1.238 200 W CA 1.697 58.358 57.345 -1.140 0.000 1.255 200 W CB -1.403 27.542 29.460 -0.860 0.000 1.145 200 W HN 0.177 nan 8.180 nan 0.000 0.506 201 S N 0.807 115.660 115.700 -1.411 0.000 2.489 201 S HA -0.073 4.397 4.470 -0.000 0.000 0.228 201 S C 0.453 174.793 174.600 -0.434 0.000 0.995 201 S CA 0.578 58.082 58.200 -1.160 0.000 0.934 201 S CB -1.068 61.296 63.200 -1.393 0.000 0.771 201 S HN 0.392 nan 8.310 nan 0.000 0.522 202 N N 1.478 120.043 118.700 -0.225 0.000 3.234 202 N HA 0.524 5.264 4.740 -0.000 0.000 0.272 202 N C -1.256 174.323 175.510 0.115 0.000 1.254 202 N CA -0.343 52.694 53.050 -0.022 0.000 1.087 202 N CB 0.916 39.428 38.487 0.042 0.000 1.356 202 N HN 0.286 nan 8.380 nan 0.000 0.511 203 L N 0.871 122.144 121.223 0.084 0.000 2.401 203 L HA 0.493 4.833 4.340 -0.000 0.000 0.266 203 L C -1.120 175.740 176.870 -0.016 0.000 0.991 203 L CA -0.812 54.076 54.840 0.080 0.000 0.818 203 L CB 2.041 44.191 42.059 0.153 0.000 1.321 203 L HN 0.129 nan 8.230 nan 0.000 0.413 204 Q N 2.659 122.399 119.800 -0.100 0.000 2.290 204 Q HA 0.651 4.991 4.340 -0.000 0.000 0.259 204 Q C -1.740 173.979 176.000 -0.469 0.000 0.941 204 Q CA -0.403 55.229 55.803 -0.286 0.000 0.912 204 Q CB 1.701 30.177 28.738 -0.438 0.000 1.244 204 Q HN 0.534 nan 8.270 nan 0.000 0.441 205 V N 5.169 124.858 119.914 -0.375 0.000 2.417 205 V HA 0.487 4.607 4.120 -0.000 0.000 0.291 205 V C -0.854 175.113 176.094 -0.212 0.000 1.024 205 V CA -0.660 61.457 62.300 -0.306 0.000 0.861 205 V CB 0.879 32.628 31.823 -0.122 0.000 0.985 205 V HN 0.630 nan 8.190 nan 0.000 0.436 206 F N 2.438 122.277 119.950 -0.185 0.000 2.361 206 F HA 0.371 4.898 4.527 -0.000 0.000 0.364 206 F C 0.498 176.152 175.800 -0.243 0.000 1.117 206 F CA -1.724 56.158 58.000 -0.197 0.000 1.071 206 F CB 1.056 39.937 39.000 -0.199 0.000 1.188 206 F HN 0.469 nan 8.300 nan 0.000 0.464 207 D N 3.312 123.714 120.400 0.004 0.000 2.383 207 D HA 0.303 4.943 4.640 -0.000 0.000 0.245 207 D C 0.353 176.514 176.300 -0.231 0.000 1.263 207 D CA 0.311 54.241 54.000 -0.117 0.000 0.936 207 D CB 0.842 41.606 40.800 -0.060 0.000 1.053 207 D HN 0.600 nan 8.370 nan 0.000 0.507 208 A N 4.569 127.118 122.820 -0.453 0.000 2.637 208 A HA 0.151 4.471 4.320 -0.000 0.000 0.293 208 A C 1.748 178.996 177.584 -0.561 0.000 1.216 208 A CA -0.385 51.172 52.037 -0.799 0.000 0.956 208 A CB 0.125 18.137 19.000 -1.647 0.000 1.174 208 A HN 0.489 nan 8.150 nan 0.000 0.525 209 R N 0.718 121.032 120.500 -0.310 0.000 2.148 209 R HA -0.130 4.210 4.340 -0.000 0.000 0.227 209 R C 1.080 177.274 176.300 -0.177 0.000 1.103 209 R CA 1.536 57.517 56.100 -0.197 0.000 0.983 209 R CB -0.104 30.150 30.300 -0.076 0.000 0.874 209 R HN 0.735 nan 8.270 nan 0.000 0.451 210 N N -0.370 118.244 118.700 -0.143 0.000 2.398 210 N HA -0.047 4.693 4.740 -0.000 0.000 0.188 210 N C 0.403 175.887 175.510 -0.043 0.000 1.122 210 N CA -0.134 52.874 53.050 -0.069 0.000 0.866 210 N CB -0.317 38.152 38.487 -0.031 0.000 0.970 210 N HN 0.052 nan 8.380 nan 0.000 0.462 211 C N 0.552 119.785 119.300 -0.112 0.000 2.705 211 C HA 0.460 4.920 4.460 -0.000 0.000 0.382 211 C C 1.534 176.623 174.990 0.164 0.000 1.322 211 C CA 0.531 59.562 59.018 0.021 0.000 2.290 211 C CB 0.136 27.841 27.740 -0.058 0.000 2.650 211 C HN 0.679 nan 8.230 nan 0.000 0.695 212 S N 0.111 116.011 115.700 0.334 0.000 2.648 212 S HA 0.194 4.664 4.470 -0.000 0.000 0.270 212 S C -0.057 174.730 174.600 0.312 0.000 1.034 212 S CA 0.336 58.781 58.200 0.409 0.000 1.376 212 S CB -0.363 62.972 63.200 0.224 0.000 1.227 212 S HN 1.083 nan 8.310 nan 0.000 0.676 213 T N -0.818 113.915 114.554 0.297 0.000 2.916 213 T HA 0.871 5.221 4.350 -0.000 0.000 0.292 213 T C 1.192 176.043 174.700 0.251 0.000 1.055 213 T CA -0.250 61.969 62.100 0.199 0.000 1.009 213 T CB 1.517 70.476 68.868 0.151 0.000 1.118 213 T HN 0.239 nan 8.240 nan 0.000 0.497 214 A N 0.627 123.573 122.820 0.210 0.000 1.877 214 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 214 A C 2.302 180.098 177.584 0.353 0.000 1.186 214 A CA 2.008 54.235 52.037 0.317 0.000 0.620 214 A CB -1.177 18.025 19.000 0.337 0.000 0.822 214 A HN 0.872 nan 8.150 nan 0.000 0.443 215 Q N -0.194 119.750 119.800 0.241 0.000 2.112 215 Q HA -0.219 4.121 4.340 -0.000 0.000 0.206 215 Q C 1.900 177.919 176.000 0.031 0.000 0.987 215 Q CA 2.272 58.043 55.803 -0.054 0.000 0.858 215 Q CB -0.287 28.470 28.738 0.033 0.000 0.905 215 Q HN 0.768 nan 8.270 nan 0.000 0.420 216 E N -1.152 119.139 120.200 0.151 0.000 2.204 216 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 216 E C 1.801 178.646 176.600 0.409 0.000 0.989 216 E CA 0.859 57.381 56.400 0.203 0.000 0.824 216 E CB 0.020 29.864 29.700 0.241 0.000 0.756 216 E HN 0.446 nan 8.360 nan 0.000 0.477 217 M N -0.186 119.703 119.600 0.481 0.000 2.064 217 M HA -0.147 4.333 4.480 -0.000 0.000 0.260 217 M C 2.164 178.792 176.300 0.546 0.000 1.073 217 M CA 1.080 56.801 55.300 0.702 0.000 1.124 217 M CB -0.485 32.382 32.600 0.444 0.000 1.326 217 M HN 0.199 nan 8.290 nan 0.000 0.410 218 F N 1.892 121.912 119.950 0.118 0.000 2.111 218 F HA -0.326 4.201 4.527 -0.000 0.000 0.300 218 F C 2.226 178.022 175.800 -0.007 0.000 1.088 218 F CA 1.983 59.960 58.000 -0.039 0.000 1.243 218 F CB -0.905 37.798 39.000 -0.495 0.000 0.996 218 F HN 0.253 nan 8.300 nan 0.000 0.483 219 Q N -1.314 118.431 119.800 -0.091 0.000 2.046 219 Q HA -0.210 4.130 4.340 -0.000 0.000 0.200 219 Q C 2.054 177.971 176.000 -0.139 0.000 0.975 219 Q CA 1.991 57.635 55.803 -0.265 0.000 0.836 219 Q CB -0.454 28.111 28.738 -0.288 0.000 0.896 219 Q HN 0.566 nan 8.270 nan 0.000 0.428 220 H N 0.156 119.234 119.070 0.014 0.000 2.353 220 H HA -0.098 4.458 4.556 -0.000 0.000 0.300 220 H C 1.925 177.330 175.328 0.129 0.000 1.090 220 H CA 1.531 57.577 56.048 -0.004 0.000 1.327 220 H CB 0.006 29.722 29.762 -0.076 0.000 1.383 220 H HN 0.167 nan 8.280 nan 0.000 0.508 221 I N -0.321 120.486 120.570 0.396 0.000 2.163 221 I HA -0.349 3.821 4.170 -0.000 0.000 0.243 221 I C 2.107 178.394 176.117 0.282 0.000 1.085 221 I CA 0.981 62.514 61.300 0.390 0.000 1.347 221 I CB -0.276 37.962 38.000 0.396 0.000 1.044 221 I HN 0.424 nan 8.210 nan 0.000 0.408 222 C N 0.199 119.586 119.300 0.145 0.000 2.432 222 C HA -0.173 4.287 4.460 -0.000 0.000 0.277 222 C C 2.955 177.982 174.990 0.060 0.000 1.249 222 C CA 0.951 59.997 59.018 0.047 0.000 1.725 222 C CB -1.250 26.403 27.740 -0.146 0.000 2.028 222 C HN 0.490 nan 8.230 nan 0.000 0.477 223 R N 0.056 120.568 120.500 0.020 0.000 2.117 223 R HA -0.196 4.144 4.340 -0.000 0.000 0.243 223 R C 2.283 178.698 176.300 0.191 0.000 1.143 223 R CA 1.808 57.905 56.100 -0.006 0.000 0.968 223 R CB -0.711 29.476 30.300 -0.187 0.000 0.863 223 R HN 0.761 nan 8.270 nan 0.000 0.444 224 H N 0.180 119.365 119.070 0.192 0.000 2.261 224 H HA -0.093 4.463 4.556 -0.000 0.000 0.301 224 H C 2.170 177.677 175.328 0.299 0.000 1.067 224 H CA 2.048 58.325 56.048 0.381 0.000 1.297 224 H CB -0.065 29.892 29.762 0.326 0.000 1.377 224 H HN 0.201 nan 8.280 nan 0.000 0.492 225 I N 0.654 121.301 120.570 0.128 0.000 2.145 225 I HA -0.321 3.849 4.170 -0.000 0.000 0.244 225 I C 2.774 178.913 176.117 0.036 0.000 1.075 225 I CA 1.014 62.318 61.300 0.006 0.000 1.332 225 I CB -0.305 37.721 38.000 0.043 0.000 1.033 225 I HN 0.281 nan 8.210 nan 0.000 0.410 226 L N 0.292 121.565 121.223 0.083 0.000 1.994 226 L HA -0.278 4.062 4.340 -0.000 0.000 0.208 226 L C 2.567 179.490 176.870 0.089 0.000 1.071 226 L CA 1.914 56.794 54.840 0.066 0.000 0.745 226 L CB -0.918 41.175 42.059 0.056 0.000 0.892 226 L HN 0.250 nan 8.230 nan 0.000 0.431 227 Y N 0.150 120.504 120.300 0.089 0.000 2.145 227 Y HA -0.246 4.304 4.550 -0.000 0.000 0.286 227 Y C 2.344 178.296 175.900 0.086 0.000 1.145 227 Y CA 2.034 60.220 58.100 0.143 0.000 1.148 227 Y CB -0.720 37.954 38.460 0.358 0.000 0.981 227 Y HN 0.271 nan 8.280 nan 0.000 0.507 228 A N -0.179 122.719 122.820 0.130 0.000 1.851 228 A HA -0.240 4.080 4.320 -0.000 0.000 0.216 228 A C 2.242 179.780 177.584 -0.076 0.000 1.195 228 A CA 2.724 54.752 52.037 -0.014 0.000 0.622 228 A CB -1.532 17.383 19.000 -0.142 0.000 0.831 228 A HN 0.543 nan 8.150 nan 0.000 0.444 229 T N -0.151 114.376 114.554 -0.046 0.000 2.635 229 T HA -0.214 4.136 4.350 -0.000 0.000 0.267 229 T C 1.215 175.881 174.700 -0.057 0.000 1.040 229 T CA 1.674 63.760 62.100 -0.023 0.000 1.156 229 T CB -0.542 68.321 68.868 -0.009 0.000 0.863 229 T HN 0.677 nan 8.240 nan 0.000 0.430 230 N N 1.665 120.305 118.700 -0.101 0.000 2.710 230 N HA -0.271 4.469 4.740 -0.000 0.000 0.249 230 N C -0.045 175.421 175.510 -0.073 0.000 1.059 230 N CA 0.961 53.937 53.050 -0.123 0.000 0.720 230 N CB -2.208 36.161 38.487 -0.197 0.000 0.983 230 N HN 0.687 nan 8.380 nan 0.000 0.544 231 N N -1.634 117.036 118.700 -0.049 0.000 2.714 231 N HA -0.241 4.499 4.740 -0.000 0.000 0.253 231 N C 0.986 176.471 175.510 -0.042 0.000 1.024 231 N CA 1.264 54.290 53.050 -0.040 0.000 0.726 231 N CB -1.242 37.222 38.487 -0.039 0.000 0.908 231 N HN 1.043 nan 8.380 nan 0.000 0.542 232 G N 0.718 109.499 108.800 -0.032 0.000 2.420 232 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.221 232 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.221 232 G C 0.048 174.932 174.900 -0.026 0.000 1.117 232 G CA 0.300 45.383 45.100 -0.027 0.000 0.657 232 G HN 0.600 nan 8.290 nan 0.000 0.512 233 N N 2.159 120.828 118.700 -0.052 0.000 3.103 233 N HA 0.251 4.991 4.740 -0.000 0.000 0.305 233 N C 0.661 176.133 175.510 -0.063 0.000 1.232 233 N CA -0.537 52.467 53.050 -0.076 0.000 1.190 233 N CB -0.324 38.115 38.487 -0.081 0.000 1.461 233 N HN 0.312 nan 8.380 nan 0.000 0.538 234 I N 2.005 122.567 120.570 -0.013 0.000 2.996 234 I HA -0.163 4.007 4.170 -0.000 0.000 0.311 234 I C 0.816 177.017 176.117 0.141 0.000 1.219 234 I CA 1.177 62.523 61.300 0.078 0.000 1.452 234 I CB -0.163 37.967 38.000 0.216 0.000 1.319 234 I HN 0.346 nan 8.210 nan 0.000 0.564 235 R N 3.849 124.413 120.500 0.107 0.000 2.534 235 R HA 0.380 4.720 4.340 -0.000 0.000 0.301 235 R C -0.444 175.977 176.300 0.203 0.000 0.961 235 R CA -0.671 55.524 56.100 0.158 0.000 0.871 235 R CB 1.902 32.158 30.300 -0.073 0.000 1.170 235 R HN 0.541 nan 8.270 nan 0.000 0.446 236 S N 1.520 117.342 115.700 0.203 0.000 2.531 236 S HA 0.507 4.977 4.470 -0.000 0.000 0.279 236 S C -0.393 174.234 174.600 0.046 0.000 1.305 236 S CA -0.227 57.983 58.200 0.016 0.000 1.058 236 S CB 1.185 64.310 63.200 -0.125 0.000 0.899 236 S HN 0.689 nan 8.310 nan 0.000 0.493 237 A N 3.125 125.951 122.820 0.009 0.000 2.612 237 A HA 0.818 5.138 4.320 -0.000 0.000 0.293 237 A C -1.370 176.253 177.584 0.064 0.000 1.075 237 A CA -0.659 51.359 52.037 -0.032 0.000 0.680 237 A CB 1.185 20.165 19.000 -0.035 0.000 1.279 237 A HN 0.795 nan 8.150 nan 0.000 0.411 238 I N 0.594 121.044 120.570 -0.201 0.000 2.607 238 I HA 0.610 4.780 4.170 -0.000 0.000 0.290 238 I C -0.804 175.086 176.117 -0.377 0.000 1.129 238 I CA -0.092 61.074 61.300 -0.224 0.000 1.042 238 I CB 2.284 40.213 38.000 -0.118 0.000 1.242 238 I HN 0.686 nan 8.210 nan 0.000 0.421 239 T N 6.858 121.164 114.554 -0.412 0.000 2.770 239 T HA 0.486 4.836 4.350 -0.000 0.000 0.297 239 T C -0.816 173.799 174.700 -0.143 0.000 0.997 239 T CA -0.361 61.593 62.100 -0.242 0.000 0.949 239 T CB 0.461 69.213 68.868 -0.195 0.000 0.941 239 T HN 0.298 nan 8.240 nan 0.000 0.457 240 V N 7.649 127.434 119.914 -0.215 0.000 2.368 240 V HA 0.398 4.518 4.120 -0.000 0.000 0.266 240 V C 0.065 176.000 176.094 -0.265 0.000 1.045 240 V CA -0.574 61.607 62.300 -0.198 0.000 0.899 240 V CB -0.518 31.097 31.823 -0.346 0.000 1.006 240 V HN 0.761 nan 8.190 nan 0.000 0.470 241 F N 5.671 125.542 119.950 -0.132 0.000 2.352 241 F HA 0.434 4.961 4.527 -0.000 0.000 0.304 241 F C -1.669 174.029 175.800 -0.170 0.000 1.215 241 F CA -2.226 55.654 58.000 -0.199 0.000 1.121 241 F CB 0.055 38.981 39.000 -0.123 0.000 1.329 241 F HN 0.300 nan 8.300 nan 0.000 0.528 242 P HA -0.026 nan 4.420 nan 0.000 0.264 242 P C -1.006 176.278 177.300 -0.027 0.000 1.183 242 P CA 0.032 62.951 63.100 -0.303 0.000 0.763 242 P CB 0.201 31.384 31.700 -0.862 0.000 0.807 243 Q N 2.887 122.660 119.800 -0.047 0.000 2.584 243 Q HA 0.176 4.516 4.340 -0.000 0.000 0.218 243 Q C 0.059 175.947 176.000 -0.186 0.000 1.079 243 Q CA -0.562 55.004 55.803 -0.394 0.000 1.008 243 Q CB 0.553 28.786 28.738 -0.843 0.000 1.267 243 Q HN 0.283 nan 8.270 nan 0.000 0.586 244 R N 0.393 120.747 120.500 -0.243 0.000 2.389 244 R HA 0.069 4.409 4.340 -0.000 0.000 0.295 244 R C 0.271 176.530 176.300 -0.069 0.000 1.075 244 R CA 0.595 56.645 56.100 -0.084 0.000 1.005 244 R CB 0.673 30.918 30.300 -0.091 0.000 0.987 244 R HN 0.919 nan 8.270 nan 0.000 0.452 245 S N 2.649 118.357 115.700 0.013 0.000 2.755 245 S HA -0.045 4.425 4.470 -0.000 0.000 0.165 245 S C 1.089 175.681 174.600 -0.014 0.000 0.723 245 S CA 0.372 58.584 58.200 0.019 0.000 0.867 245 S CB -0.229 63.032 63.200 0.102 0.000 0.740 245 S HN 0.799 nan 8.310 nan 0.000 0.568 246 D N 0.341 120.716 120.400 -0.041 0.000 2.201 246 D HA 0.234 4.874 4.640 -0.000 0.000 0.209 246 D C 1.497 177.749 176.300 -0.080 0.000 0.961 246 D CA 1.299 55.246 54.000 -0.088 0.000 0.861 246 D CB -0.413 40.279 40.800 -0.181 0.000 0.997 246 D HN 0.893 nan 8.370 nan 0.000 0.486 247 G N 0.598 109.354 108.800 -0.074 0.000 2.273 247 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.162 247 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.162 247 G C 0.743 175.621 174.900 -0.036 0.000 1.006 247 G CA 0.216 45.291 45.100 -0.041 0.000 0.704 247 G HN 0.415 nan 8.290 nan 0.000 0.487 248 K N 0.056 120.397 120.400 -0.097 0.000 2.483 248 K HA 0.283 4.603 4.320 -0.000 0.000 0.206 248 K C 0.232 176.904 176.600 0.120 0.000 1.086 248 K CA -0.262 55.995 56.287 -0.050 0.000 1.052 248 K CB 0.317 32.740 32.500 -0.128 0.000 0.904 248 K HN 0.250 nan 8.250 nan 0.000 0.557 249 H N 0.768 119.867 119.070 0.048 0.000 2.534 249 H HA 0.242 4.798 4.556 -0.000 0.000 0.250 249 H C -1.182 174.215 175.328 0.115 0.000 1.256 249 H CA -0.808 55.274 56.048 0.057 0.000 1.000 249 H CB 0.083 29.891 29.762 0.076 0.000 1.801 249 H HN 0.125 nan 8.280 nan 0.000 0.569 250 D N 0.606 121.128 120.400 0.205 0.000 2.210 250 D HA 0.104 4.744 4.640 -0.000 0.000 0.249 250 D C 0.067 176.472 176.300 0.175 0.000 1.078 250 D CA -0.241 53.893 54.000 0.223 0.000 0.875 250 D CB 1.421 42.310 40.800 0.149 0.000 1.175 250 D HN 0.011 nan 8.370 nan 0.000 0.440 251 F N 1.938 121.945 119.950 0.094 0.000 2.411 251 F HA 0.314 4.841 4.527 -0.000 0.000 0.350 251 F C 0.967 176.788 175.800 0.034 0.000 1.114 251 F CA -0.270 57.769 58.000 0.065 0.000 1.135 251 F CB 0.785 39.840 39.000 0.092 0.000 1.120 251 F HN -0.121 nan 8.300 nan 0.000 0.495 252 R N 3.893 124.479 120.500 0.142 0.000 2.564 252 R HA 0.455 4.795 4.340 -0.000 0.000 0.284 252 R C -1.741 174.689 176.300 0.217 0.000 1.031 252 R CA -1.073 55.118 56.100 0.152 0.000 0.904 252 R CB 2.059 32.453 30.300 0.157 0.000 1.199 252 R HN 0.461 nan 8.270 nan 0.000 0.443 253 L N 2.343 123.651 121.223 0.142 0.000 2.260 253 L HA 0.333 4.673 4.340 -0.000 0.000 0.289 253 L C 0.787 177.864 176.870 0.345 0.000 1.057 253 L CA -0.138 54.804 54.840 0.171 0.000 0.811 253 L CB 0.517 42.584 42.059 0.013 0.000 1.184 253 L HN 0.567 nan 8.230 nan 0.000 0.429 254 W N 0.714 122.078 121.300 0.107 0.000 2.595 254 W HA 0.017 4.677 4.660 -0.000 0.000 0.257 254 W C 0.735 177.452 176.519 0.329 0.000 1.267 254 W CA -0.435 57.107 57.345 0.328 0.000 1.300 254 W CB -1.029 28.676 29.460 0.407 0.000 1.120 254 W HN 0.501 nan 8.180 nan 0.000 0.618 255 N N -0.330 118.499 118.700 0.216 0.000 2.444 255 N HA 0.040 4.780 4.740 -0.000 0.000 0.255 255 N C 1.197 176.542 175.510 -0.275 0.000 1.255 255 N CA 0.590 53.410 53.050 -0.383 0.000 0.933 255 N CB 0.554 38.876 38.487 -0.274 0.000 1.143 255 N HN -0.275 nan 8.380 nan 0.000 0.453 256 S N -0.197 115.266 115.700 -0.394 0.000 2.345 256 S HA -0.108 4.362 4.470 -0.000 0.000 0.219 256 S C 0.405 174.883 174.600 -0.205 0.000 1.031 256 S CA 1.037 59.111 58.200 -0.211 0.000 0.984 256 S CB -0.319 62.776 63.200 -0.175 0.000 0.874 256 S HN 0.754 nan 8.310 nan 0.000 0.451 257 Q N -0.902 118.755 119.800 -0.238 0.000 2.501 257 Q HA 0.521 4.861 4.340 -0.000 0.000 0.288 257 Q C -0.056 175.793 176.000 -0.251 0.000 1.051 257 Q CA -0.955 54.705 55.803 -0.240 0.000 0.788 257 Q CB 0.770 29.391 28.738 -0.194 0.000 1.469 257 Q HN -0.102 nan 8.270 nan 0.000 0.416 258 L N 0.452 121.543 121.223 -0.219 0.000 1.963 258 L HA -0.078 4.262 4.340 -0.000 0.000 0.220 258 L C 0.802 177.512 176.870 -0.265 0.000 1.076 258 L CA 1.934 56.670 54.840 -0.173 0.000 0.772 258 L CB -0.476 41.523 42.059 -0.100 0.000 0.892 258 L HN 0.643 nan 8.230 nan 0.000 0.435 259 I N -1.319 119.000 120.570 -0.419 0.000 2.359 259 I HA 0.425 4.595 4.170 -0.000 0.000 0.294 259 I C -0.135 175.324 176.117 -1.097 0.000 0.987 259 I CA -0.381 60.499 61.300 -0.700 0.000 1.225 259 I CB 1.487 39.019 38.000 -0.780 0.000 1.366 259 I HN 0.063 nan 8.210 nan 0.000 0.466 260 R N 4.901 124.849 120.500 -0.920 0.000 2.647 260 R HA 0.349 4.689 4.340 -0.000 0.000 0.260 260 R C -1.741 174.305 176.300 -0.423 0.000 1.154 260 R CA -0.673 55.014 56.100 -0.689 0.000 1.029 260 R CB 0.616 30.698 30.300 -0.362 0.000 1.262 260 R HN 0.328 nan 8.270 nan 0.000 0.437 261 Y N 1.741 122.004 120.300 -0.062 0.000 2.426 261 Y HA 0.457 5.007 4.550 -0.000 0.000 0.344 261 Y C 1.196 177.077 175.900 -0.032 0.000 1.256 261 Y CA 0.599 58.710 58.100 0.019 0.000 1.451 261 Y CB 0.570 39.115 38.460 0.142 0.000 1.342 261 Y HN 0.703 nan 8.280 nan 0.000 0.600 262 A N 0.638 123.526 122.820 0.113 0.000 2.264 262 A HA 0.764 5.084 4.320 -0.000 0.000 0.304 262 A C 0.240 177.601 177.584 -0.371 0.000 1.100 262 A CA 0.023 51.951 52.037 -0.181 0.000 0.839 262 A CB 0.245 19.091 19.000 -0.256 0.000 1.121 262 A HN 0.899 nan 8.150 nan 0.000 0.496 263 G N -0.304 108.179 108.800 -0.528 0.000 2.666 263 G HA2 0.586 4.546 3.960 -0.000 0.000 0.303 263 G HA3 0.586 4.546 3.960 -0.000 0.000 0.303 263 G C -1.486 173.128 174.900 -0.477 0.000 1.412 263 G CA -0.257 44.586 45.100 -0.428 0.000 0.979 263 G HN 0.523 nan 8.290 nan 0.000 0.507 264 Y N 0.297 120.633 120.300 0.060 0.000 2.376 264 Y HA 0.461 5.011 4.550 -0.000 0.000 0.340 264 Y C 0.394 176.357 175.900 0.105 0.000 0.965 264 Y CA -1.067 57.092 58.100 0.097 0.000 1.078 264 Y CB 2.424 40.975 38.460 0.153 0.000 1.193 264 Y HN 0.505 nan 8.280 nan 0.000 0.452 265 Q N 4.613 124.553 119.800 0.235 0.000 2.402 265 Q HA 0.283 4.623 4.340 -0.000 0.000 0.238 265 Q C -0.463 175.640 176.000 0.171 0.000 1.126 265 Q CA -0.218 55.681 55.803 0.159 0.000 0.904 265 Q CB 0.361 29.164 28.738 0.110 0.000 1.357 265 Q HN 0.698 nan 8.270 nan 0.000 0.491 266 M N 4.605 124.301 119.600 0.160 0.000 2.219 266 M HA 0.036 4.516 4.480 -0.000 0.000 0.307 266 M C -1.172 175.160 176.300 0.054 0.000 1.116 266 M CA -1.185 54.180 55.300 0.109 0.000 1.181 266 M CB 0.115 32.769 32.600 0.091 0.000 1.410 266 M HN 0.516 nan 8.290 nan 0.000 0.454 267 P HA -0.186 nan 4.420 nan 0.000 0.215 267 P C 0.312 177.614 177.300 0.003 0.000 1.153 267 P CA 1.604 64.700 63.100 -0.006 0.000 0.853 267 P CB -0.364 31.310 31.700 -0.043 0.000 0.788 268 D N -1.082 119.321 120.400 0.004 0.000 2.346 268 D HA 0.038 4.678 4.640 -0.000 0.000 0.248 268 D C 1.350 177.662 176.300 0.019 0.000 1.173 268 D CA 0.670 54.675 54.000 0.008 0.000 0.878 268 D CB -0.805 39.999 40.800 0.006 0.000 0.919 268 D HN 0.299 nan 8.370 nan 0.000 0.513 269 G N 0.989 109.805 108.800 0.026 0.000 2.284 269 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.261 269 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.261 269 G C 0.790 175.714 174.900 0.039 0.000 0.997 269 G CA 0.924 46.043 45.100 0.032 0.000 0.621 269 G HN 0.699 nan 8.290 nan 0.000 0.534 270 T N -0.965 113.613 114.554 0.041 0.000 2.681 270 T HA 0.609 4.959 4.350 -0.000 0.000 0.333 270 T C 0.475 175.211 174.700 0.060 0.000 1.049 270 T CA 0.366 62.494 62.100 0.047 0.000 1.002 270 T CB 1.258 70.153 68.868 0.046 0.000 1.161 270 T HN 0.786 nan 8.240 nan 0.000 0.519 271 I N 0.370 120.975 120.570 0.057 0.000 2.571 271 I HA 0.375 4.545 4.170 -0.000 0.000 0.286 271 I C -0.123 176.024 176.117 0.049 0.000 1.134 271 I CA -0.750 60.586 61.300 0.060 0.000 1.052 271 I CB 2.036 40.053 38.000 0.027 0.000 1.237 271 I HN 0.541 nan 8.210 nan 0.000 0.435 272 R N 3.526 124.089 120.500 0.105 0.000 2.532 272 R HA 0.796 5.136 4.340 -0.000 0.000 0.295 272 R C 0.433 176.754 176.300 0.035 0.000 0.968 272 R CA 0.030 56.192 56.100 0.104 0.000 0.916 272 R CB 1.920 32.342 30.300 0.205 0.000 1.124 272 R HN 0.895 nan 8.270 nan 0.000 0.463 273 G N 1.830 110.580 108.800 -0.084 0.000 2.527 273 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.227 273 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.227 273 G C -1.128 173.370 174.900 -0.671 0.000 1.291 273 G CA -0.332 44.638 45.100 -0.217 0.000 0.904 273 G HN 0.593 nan 8.290 nan 0.000 0.577 274 D N 1.526 121.673 120.400 -0.422 0.000 2.411 274 D HA 0.598 5.238 4.640 -0.000 0.000 0.225 274 D C 1.454 177.645 176.300 -0.182 0.000 1.156 274 D CA 0.766 54.550 54.000 -0.361 0.000 0.874 274 D CB 0.755 41.660 40.800 0.173 0.000 1.034 274 D HN 0.945 nan 8.370 nan 0.000 0.502 275 A N 3.813 126.519 122.820 -0.190 0.000 2.076 275 A HA -0.081 4.239 4.320 -0.000 0.000 0.220 275 A C 2.072 179.659 177.584 0.004 0.000 1.160 275 A CA 1.658 53.653 52.037 -0.071 0.000 0.653 275 A CB -0.247 18.726 19.000 -0.046 0.000 0.801 275 A HN 0.615 nan 8.150 nan 0.000 0.455 276 A N -0.113 122.727 122.820 0.033 0.000 1.933 276 A HA -0.045 4.275 4.320 -0.000 0.000 0.218 276 A C 1.946 179.576 177.584 0.076 0.000 1.175 276 A CA 1.899 53.985 52.037 0.082 0.000 0.628 276 A CB -1.124 17.941 19.000 0.108 0.000 0.814 276 A HN 0.829 nan 8.150 nan 0.000 0.444 277 T N -2.250 112.330 114.554 0.044 0.000 3.419 277 T HA 0.538 4.888 4.350 -0.000 0.000 0.228 277 T C 0.874 175.583 174.700 0.015 0.000 0.939 277 T CA -0.197 61.922 62.100 0.032 0.000 0.992 277 T CB -0.039 68.824 68.868 -0.008 0.000 1.186 277 T HN 0.247 nan 8.240 nan 0.000 0.612 278 L N -0.129 121.114 121.223 0.032 0.000 2.130 278 L HA 0.203 4.543 4.340 -0.000 0.000 0.200 278 L C 2.865 179.749 176.870 0.023 0.000 1.075 278 L CA 0.946 55.794 54.840 0.012 0.000 0.768 278 L CB -0.116 41.963 42.059 0.032 0.000 0.933 278 L HN 0.450 nan 8.230 nan 0.000 0.451 279 E N -0.140 120.093 120.200 0.056 0.000 2.031 279 E HA -0.298 4.052 4.350 -0.000 0.000 0.193 279 E C 2.135 178.681 176.600 -0.090 0.000 0.994 279 E CA 1.537 57.950 56.400 0.022 0.000 0.800 279 E CB -0.171 29.593 29.700 0.107 0.000 0.752 279 E HN 0.340 nan 8.360 nan 0.000 0.447 280 F N 1.335 121.136 119.950 -0.248 0.000 2.126 280 F HA -0.240 4.287 4.527 -0.000 0.000 0.299 280 F C 2.344 177.970 175.800 -0.291 0.000 1.096 280 F CA 1.986 59.750 58.000 -0.394 0.000 1.255 280 F CB -0.506 38.306 39.000 -0.313 0.000 0.997 280 F HN 0.014 nan 8.300 nan 0.000 0.479 281 T N -0.215 114.304 114.554 -0.060 0.000 2.652 281 T HA -0.321 4.029 4.350 -0.000 0.000 0.267 281 T C 1.755 176.372 174.700 -0.138 0.000 1.039 281 T CA 1.770 63.789 62.100 -0.136 0.000 1.153 281 T CB -0.455 68.340 68.868 -0.122 0.000 0.863 281 T HN 0.319 nan 8.240 nan 0.000 0.428 282 Q N 0.605 120.351 119.800 -0.090 0.000 2.152 282 Q HA -0.129 4.211 4.340 -0.000 0.000 0.206 282 Q C 2.059 177.976 176.000 -0.139 0.000 0.985 282 Q CA 1.435 57.205 55.803 -0.056 0.000 0.863 282 Q CB -0.783 27.932 28.738 -0.039 0.000 0.904 282 Q HN 0.433 nan 8.270 nan 0.000 0.422 283 L N -0.439 120.607 121.223 -0.295 0.000 1.989 283 L HA -0.195 4.145 4.340 -0.000 0.000 0.211 283 L C 2.294 178.959 176.870 -0.341 0.000 1.071 283 L CA 1.940 56.559 54.840 -0.369 0.000 0.749 283 L CB -0.999 40.678 42.059 -0.636 0.000 0.890 283 L HN 0.453 nan 8.230 nan 0.000 0.431 284 C N -0.572 118.447 119.300 -0.468 0.000 2.413 284 C HA -0.186 4.274 4.460 -0.000 0.000 0.276 284 C C 2.711 177.698 174.990 -0.004 0.000 1.248 284 C CA 0.514 59.323 59.018 -0.347 0.000 1.742 284 C CB -1.026 26.368 27.740 -0.575 0.000 2.017 284 C HN 0.538 nan 8.230 nan 0.000 0.481 285 I N 1.315 121.924 120.570 0.066 0.000 2.179 285 I HA -0.158 4.012 4.170 -0.000 0.000 0.242 285 I C 2.159 178.301 176.117 0.043 0.000 1.088 285 I CA 1.854 63.234 61.300 0.133 0.000 1.357 285 I CB -1.460 36.609 38.000 0.115 0.000 1.051 285 I HN 0.377 nan 8.210 nan 0.000 0.409 286 D N 0.834 121.222 120.400 -0.020 0.000 2.149 286 D HA -0.125 4.514 4.640 -0.000 0.000 0.198 286 D C 1.869 178.149 176.300 -0.032 0.000 0.990 286 D CA 0.944 54.919 54.000 -0.041 0.000 0.839 286 D CB -0.166 40.584 40.800 -0.083 0.000 0.948 286 D HN 0.331 nan 8.370 nan 0.000 0.460 287 L N 0.175 121.375 121.223 -0.039 0.000 2.718 287 L HA 0.219 4.559 4.340 -0.000 0.000 0.242 287 L C 1.031 177.898 176.870 -0.005 0.000 1.203 287 L CA -0.077 54.744 54.840 -0.032 0.000 1.011 287 L CB -0.705 41.292 42.059 -0.103 0.000 1.250 287 L HN 0.016 nan 8.230 nan 0.000 0.437 288 G N -0.260 108.552 108.800 0.020 0.000 2.295 288 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.287 288 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.287 288 G C -0.331 174.617 174.900 0.079 0.000 1.055 288 G CA -0.119 44.999 45.100 0.031 0.000 0.922 288 G HN 0.529 nan 8.290 nan 0.000 0.503 289 W N 0.864 122.115 121.300 -0.082 0.000 2.316 289 W HA 0.674 5.334 4.660 -0.000 0.000 0.321 289 W C 0.230 176.721 176.519 -0.048 0.000 1.203 289 W CA -1.432 55.869 57.345 -0.073 0.000 1.214 289 W CB 0.800 30.205 29.460 -0.093 0.000 1.169 289 W HN -0.013 nan 8.180 nan 0.000 0.561 290 K N 7.569 127.465 120.400 -0.840 0.000 2.278 290 K HA 0.156 4.476 4.320 -0.000 0.000 0.289 290 K C -2.315 173.527 176.600 -1.263 0.000 1.080 290 K CA -1.907 53.907 56.287 -0.790 0.000 0.934 290 K CB -0.125 32.051 32.500 -0.540 0.000 1.093 290 K HN 0.309 nan 8.250 nan 0.000 0.459 291 P HA 0.140 nan 4.420 nan 0.000 0.269 291 P C 0.174 177.046 177.300 -0.713 0.000 1.263 291 P CA -0.077 62.517 63.100 -0.844 0.000 0.813 291 P CB 0.504 31.740 31.700 -0.774 0.000 0.868 292 R N 2.755 122.914 120.500 -0.569 0.000 2.313 292 R HA 0.020 4.360 4.340 -0.000 0.000 0.199 292 R C 0.049 176.255 176.300 -0.157 0.000 0.958 292 R CA -0.232 55.727 56.100 -0.235 0.000 1.047 292 R CB -0.698 29.564 30.300 -0.062 0.000 0.955 292 R HN 0.360 nan 8.270 nan 0.000 0.481 293 Y N -1.182 118.784 120.300 -0.557 0.000 2.967 293 Y HA -0.301 4.249 4.550 -0.000 0.000 0.208 293 Y C 0.604 176.414 175.900 -0.150 0.000 1.214 293 Y CA 0.676 58.358 58.100 -0.697 0.000 0.915 293 Y CB -1.590 36.587 38.460 -0.472 0.000 1.218 293 Y HN 0.277 nan 8.280 nan 0.000 0.472 294 G N -0.310 108.638 108.800 0.248 0.000 3.140 294 G HA2 0.628 4.588 3.960 -0.000 0.000 0.271 294 G HA3 0.628 4.588 3.960 -0.000 0.000 0.271 294 G C 0.388 175.470 174.900 0.305 0.000 1.370 294 G CA -1.038 44.224 45.100 0.269 0.000 1.014 294 G HN 0.212 nan 8.290 nan 0.000 0.541 295 R N -1.451 119.146 120.500 0.161 0.000 2.265 295 R HA 0.231 4.571 4.340 -0.000 0.000 0.194 295 R C -0.358 175.648 176.300 -0.489 0.000 0.931 295 R CA 0.517 56.568 56.100 -0.081 0.000 1.032 295 R CB 0.250 30.475 30.300 -0.124 0.000 0.980 295 R HN 0.293 nan 8.270 nan 0.000 0.497 296 F N 0.910 120.887 119.950 0.046 0.000 2.593 296 F HA 0.251 4.778 4.527 -0.000 0.000 0.336 296 F C -0.955 174.972 175.800 0.211 0.000 1.491 296 F CA -1.122 56.735 58.000 -0.238 0.000 1.114 296 F CB 0.889 39.612 39.000 -0.462 0.000 1.468 296 F HN -0.267 nan 8.300 nan 0.000 0.579 297 D N 1.758 122.442 120.400 0.473 0.000 2.412 297 D HA 0.235 4.875 4.640 -0.000 0.000 0.224 297 D C 0.094 176.671 176.300 0.461 0.000 1.093 297 D CA -0.106 54.183 54.000 0.482 0.000 0.850 297 D CB 2.266 43.380 40.800 0.524 0.000 1.046 297 D HN -0.048 nan 8.370 nan 0.000 0.507 298 V N 3.673 123.810 119.914 0.372 0.000 2.475 298 V HA -0.070 4.050 4.120 -0.000 0.000 0.292 298 V C 1.162 177.290 176.094 0.058 0.000 1.003 298 V CA -0.033 62.324 62.300 0.096 0.000 1.120 298 V CB -0.221 31.609 31.823 0.011 0.000 0.937 298 V HN 0.361 nan 8.190 nan 0.000 0.476 299 L N 8.526 129.681 121.223 -0.113 0.000 2.482 299 L HA 0.250 4.590 4.340 -0.000 0.000 0.273 299 L C -1.610 175.093 176.870 -0.279 0.000 1.228 299 L CA -1.187 53.472 54.840 -0.301 0.000 0.827 299 L CB 0.407 42.313 42.059 -0.255 0.000 1.099 299 L HN 0.475 nan 8.230 nan 0.000 0.494 300 P HA 0.097 nan 4.420 nan 0.000 0.277 300 P C -0.934 176.244 177.300 -0.203 0.000 1.240 300 P CA -0.679 62.233 63.100 -0.314 0.000 0.798 300 P CB 1.152 32.531 31.700 -0.535 0.000 0.979 301 L N 3.154 124.288 121.223 -0.148 0.000 2.385 301 L HA 0.098 4.438 4.340 -0.000 0.000 0.281 301 L C 0.084 176.874 176.870 -0.134 0.000 1.106 301 L CA -0.042 54.743 54.840 -0.091 0.000 0.856 301 L CB 0.120 42.136 42.059 -0.073 0.000 1.186 301 L HN 0.109 nan 8.230 nan 0.000 0.453 302 V N 6.607 126.483 119.914 -0.063 0.000 2.320 302 V HA 0.289 4.409 4.120 -0.000 0.000 0.265 302 V C 0.064 176.032 176.094 -0.211 0.000 1.048 302 V CA -0.567 61.603 62.300 -0.217 0.000 0.865 302 V CB 0.956 32.672 31.823 -0.178 0.000 1.043 302 V HN 0.375 nan 8.190 nan 0.000 0.474 303 L N 5.224 126.280 121.223 -0.279 0.000 2.334 303 L HA 0.677 5.017 4.340 -0.000 0.000 0.273 303 L C -0.108 176.588 176.870 -0.290 0.000 1.013 303 L CA -0.353 54.387 54.840 -0.166 0.000 0.816 303 L CB 1.981 44.070 42.059 0.049 0.000 1.278 303 L HN 0.839 nan 8.230 nan 0.000 0.431 304 Q N 1.564 121.251 119.800 -0.188 0.000 2.274 304 Q HA 0.893 5.233 4.340 -0.000 0.000 0.268 304 Q C -1.494 174.374 176.000 -0.221 0.000 1.015 304 Q CA -0.737 54.934 55.803 -0.220 0.000 0.775 304 Q CB 2.017 30.640 28.738 -0.191 0.000 1.256 304 Q HN 0.664 nan 8.270 nan 0.000 0.442 305 A N 2.463 125.089 122.820 -0.324 0.000 2.294 305 A HA 0.650 4.970 4.320 -0.000 0.000 0.330 305 A C 0.068 177.182 177.584 -0.783 0.000 1.133 305 A CA 0.108 51.694 52.037 -0.752 0.000 0.836 305 A CB 0.659 19.393 19.000 -0.443 0.000 1.190 305 A HN 1.000 nan 8.150 nan 0.000 0.492 306 D N 0.056 119.652 120.400 -1.340 0.000 4.304 306 D HA -0.271 4.369 4.640 -0.000 0.000 0.242 306 D C 1.287 177.459 176.300 -0.214 0.000 0.625 306 D CA 3.182 56.863 54.000 -0.531 0.000 0.997 306 D CB -1.162 39.434 40.800 -0.340 0.000 0.459 306 D HN 0.971 nan 8.370 nan 0.000 0.378 307 G N -0.742 107.986 108.800 -0.121 0.000 2.801 307 G HA2 0.190 4.150 3.960 -0.000 0.000 0.213 307 G HA3 0.190 4.150 3.960 -0.000 0.000 0.213 307 G C -0.015 174.908 174.900 0.038 0.000 1.052 307 G CA 0.121 45.255 45.100 0.056 0.000 0.868 307 G HN 0.314 nan 8.290 nan 0.000 0.589 308 Q N 1.909 121.665 119.800 -0.072 0.000 2.354 308 Q HA 0.217 4.557 4.340 -0.000 0.000 0.310 308 Q C -0.193 175.754 176.000 -0.088 0.000 1.104 308 Q CA 0.247 55.999 55.803 -0.085 0.000 0.968 308 Q CB 0.467 29.135 28.738 -0.117 0.000 1.251 308 Q HN 0.226 nan 8.270 nan 0.000 0.411 309 D N 2.752 123.076 120.400 -0.127 0.000 2.370 309 D HA 0.000 4.640 4.640 -0.000 0.000 0.235 309 D C -2.162 173.883 176.300 -0.425 0.000 1.228 309 D CA -0.581 53.254 54.000 -0.276 0.000 0.884 309 D CB -0.081 40.447 40.800 -0.453 0.000 1.201 309 D HN 0.347 nan 8.370 nan 0.000 0.456 310 P HA 0.087 nan 4.420 nan 0.000 0.276 310 P C -0.904 176.039 177.300 -0.594 0.000 1.253 310 P CA -0.020 62.607 63.100 -0.788 0.000 0.766 310 P CB 0.540 31.413 31.700 -1.378 0.000 0.845 311 E N 1.966 121.826 120.200 -0.567 0.000 2.146 311 E HA 0.268 4.618 4.350 -0.000 0.000 0.282 311 E C -0.250 175.733 176.600 -1.029 0.000 0.989 311 E CA -1.017 54.961 56.400 -0.704 0.000 0.799 311 E CB 1.350 30.652 29.700 -0.663 0.000 1.088 311 E HN 0.249 nan 8.360 nan 0.000 0.397 312 V N 4.365 123.788 119.914 -0.817 0.000 2.508 312 V HA 0.155 4.275 4.120 -0.000 0.000 0.281 312 V C -0.438 175.165 176.094 -0.818 0.000 1.041 312 V CA 0.092 61.993 62.300 -0.666 0.000 1.016 312 V CB -0.344 31.274 31.823 -0.342 0.000 0.984 312 V HN 0.478 nan 8.190 nan 0.000 0.478 313 F N 2.214 121.960 119.950 -0.340 0.000 2.536 313 F HA 0.423 4.950 4.527 -0.000 0.000 0.322 313 F C 0.155 175.695 175.800 -0.433 0.000 1.144 313 F CA -1.100 56.576 58.000 -0.540 0.000 0.924 313 F CB 1.614 39.869 39.000 -1.241 0.000 1.181 313 F HN 0.522 nan 8.300 nan 0.000 0.438 314 E N 3.779 123.991 120.200 0.020 0.000 2.313 314 E HA 0.411 4.761 4.350 -0.000 0.000 0.276 314 E C -0.443 176.261 176.600 0.172 0.000 1.031 314 E CA -0.417 56.058 56.400 0.124 0.000 0.857 314 E CB 0.859 30.710 29.700 0.251 0.000 1.040 314 E HN 0.541 nan 8.360 nan 0.000 0.408 315 I N 6.088 126.754 120.570 0.159 0.000 2.556 315 I HA 0.105 4.275 4.170 -0.000 0.000 0.284 315 I C -1.948 174.288 176.117 0.199 0.000 1.114 315 I CA -1.952 59.479 61.300 0.219 0.000 1.418 315 I CB 0.553 38.624 38.000 0.119 0.000 1.394 315 I HN 0.396 nan 8.210 nan 0.000 0.552 316 P HA 0.136 nan 4.420 nan 0.000 0.269 316 P C -2.056 175.298 177.300 0.090 0.000 1.252 316 P CA -1.079 62.097 63.100 0.127 0.000 0.780 316 P CB 0.318 32.069 31.700 0.084 0.000 0.829 317 P HA -0.220 nan 4.420 nan 0.000 0.218 317 P C 0.791 178.121 177.300 0.050 0.000 1.146 317 P CA 1.415 64.559 63.100 0.073 0.000 0.820 317 P CB 0.016 31.762 31.700 0.077 0.000 0.778 318 D N -1.273 119.151 120.400 0.040 0.000 2.264 318 D HA -0.048 4.592 4.640 -0.000 0.000 0.208 318 D C 1.854 178.165 176.300 0.019 0.000 0.966 318 D CA 0.876 54.890 54.000 0.024 0.000 0.864 318 D CB -0.156 40.654 40.800 0.016 0.000 0.933 318 D HN 0.267 nan 8.370 nan 0.000 0.499 319 L N 0.495 121.734 121.223 0.027 0.000 2.270 319 L HA 0.007 4.347 4.340 -0.000 0.000 0.210 319 L C 0.718 177.599 176.870 0.020 0.000 1.104 319 L CA 0.266 55.120 54.840 0.023 0.000 0.804 319 L CB 0.310 42.389 42.059 0.034 0.000 0.937 319 L HN -0.210 nan 8.230 nan 0.000 0.450 320 V N 2.555 122.484 119.914 0.024 0.000 2.352 320 V HA 0.068 4.188 4.120 -0.000 0.000 0.253 320 V C 0.121 176.229 176.094 0.023 0.000 1.083 320 V CA -0.378 61.930 62.300 0.014 0.000 0.993 320 V CB 0.513 32.343 31.823 0.012 0.000 1.111 320 V HN 0.068 nan 8.190 nan 0.000 0.490 321 L N 5.719 126.955 121.223 0.021 0.000 2.349 321 L HA 0.518 4.858 4.340 -0.000 0.000 0.275 321 L C 0.090 176.973 176.870 0.022 0.000 1.115 321 L CA 0.622 55.468 54.840 0.010 0.000 0.820 321 L CB 0.626 42.685 42.059 -0.000 0.000 1.135 321 L HN 0.673 nan 8.230 nan 0.000 0.445 322 E N 3.170 123.363 120.200 -0.012 0.000 2.359 322 E HA 0.637 4.987 4.350 -0.000 0.000 0.266 322 E C -1.534 174.983 176.600 -0.138 0.000 0.920 322 E CA -1.095 55.292 56.400 -0.023 0.000 0.788 322 E CB 2.441 32.156 29.700 0.026 0.000 1.279 322 E HN 0.387 nan 8.360 nan 0.000 0.438 323 V N 1.541 121.340 119.914 -0.192 0.000 2.443 323 V HA 0.234 4.354 4.120 -0.000 0.000 0.293 323 V C -0.269 175.737 176.094 -0.146 0.000 1.021 323 V CA -0.875 61.249 62.300 -0.293 0.000 0.848 323 V CB 1.490 32.880 31.823 -0.722 0.000 0.998 323 V HN 0.830 nan 8.190 nan 0.000 0.424 324 T N 3.818 118.296 114.554 -0.125 0.000 2.779 324 T HA 0.439 4.789 4.350 -0.000 0.000 0.296 324 T C 0.050 174.738 174.700 -0.020 0.000 0.938 324 T CA -0.719 61.325 62.100 -0.092 0.000 1.119 324 T CB 0.501 69.316 68.868 -0.088 0.000 0.891 324 T HN 0.309 nan 8.240 nan 0.000 0.526 325 M N 4.185 123.806 119.600 0.035 0.000 2.219 325 M HA 0.244 4.724 4.480 -0.000 0.000 0.353 325 M C 0.519 176.963 176.300 0.239 0.000 1.304 325 M CA 0.186 55.595 55.300 0.182 0.000 1.115 325 M CB -0.473 32.287 32.600 0.266 0.000 1.664 325 M HN 0.927 nan 8.290 nan 0.000 0.459 326 E N 1.945 122.335 120.200 0.317 0.000 2.311 326 E HA 0.274 4.624 4.350 -0.000 0.000 0.281 326 E C -1.122 175.634 176.600 0.260 0.000 0.905 326 E CA -0.803 55.805 56.400 0.345 0.000 0.778 326 E CB 1.349 31.157 29.700 0.181 0.000 1.240 326 E HN 0.602 nan 8.360 nan 0.000 0.410 327 H N 4.692 123.764 119.070 0.003 0.000 2.652 327 H HA 0.128 4.684 4.556 -0.000 0.000 0.349 327 H C -1.476 173.744 175.328 -0.180 0.000 1.099 327 H CA -1.635 54.226 56.048 -0.312 0.000 1.417 327 H CB 1.540 30.904 29.762 -0.663 0.000 1.457 327 H HN 0.487 nan 8.280 nan 0.000 0.568 328 P HA -0.051 nan 4.420 nan 0.000 0.230 328 P C 0.405 177.697 177.300 -0.014 0.000 1.158 328 P CA 1.069 63.885 63.100 -0.473 0.000 0.769 328 P CB 0.709 31.845 31.700 -0.940 0.000 0.807 329 K N -2.519 118.077 120.400 0.327 0.000 2.550 329 K HA 0.164 4.484 4.320 -0.000 0.000 0.205 329 K C -0.014 176.592 176.600 0.011 0.000 1.429 329 K CA 0.188 56.563 56.287 0.147 0.000 0.997 329 K CB 0.332 32.919 32.500 0.146 0.000 1.328 329 K HN -0.094 nan 8.250 nan 0.000 0.546 330 Y N 2.595 122.678 120.300 -0.361 0.000 2.714 330 Y HA 0.201 4.751 4.550 -0.000 0.000 0.333 330 Y C 0.535 176.128 175.900 -0.512 0.000 1.220 330 Y CA -0.633 57.098 58.100 -0.615 0.000 1.513 330 Y CB -0.015 37.692 38.460 -1.254 0.000 1.435 330 Y HN 0.065 nan 8.280 nan 0.000 0.489 331 E N 1.595 121.755 120.200 -0.067 0.000 2.333 331 E HA -0.227 4.123 4.350 -0.000 0.000 0.200 331 E C 1.238 177.893 176.600 0.091 0.000 1.010 331 E CA 1.256 57.675 56.400 0.033 0.000 0.841 331 E CB -0.058 29.686 29.700 0.075 0.000 0.757 331 E HN 0.866 nan 8.360 nan 0.000 0.508 332 W N -0.655 120.742 121.300 0.162 0.000 3.047 332 W HA 0.029 4.689 4.660 -0.000 0.000 0.250 332 W C 1.271 177.886 176.519 0.160 0.000 1.314 332 W CA -0.360 57.062 57.345 0.130 0.000 1.540 332 W CB -0.715 28.808 29.460 0.106 0.000 1.127 332 W HN -0.063 nan 8.180 nan 0.000 0.679 333 F N 3.570 123.256 119.950 -0.441 0.000 2.234 333 F HA -0.207 4.320 4.527 -0.000 0.000 0.299 333 F C 2.816 178.568 175.800 -0.081 0.000 1.087 333 F CA 2.662 60.420 58.000 -0.404 0.000 1.340 333 F CB -0.375 38.307 39.000 -0.530 0.000 1.031 333 F HN 0.024 nan 8.300 nan 0.000 0.500 334 Q N -0.393 119.423 119.800 0.027 0.000 2.369 334 Q HA -0.133 4.207 4.340 -0.000 0.000 0.206 334 Q C 1.469 177.448 176.000 -0.035 0.000 0.963 334 Q CA 1.416 57.208 55.803 -0.018 0.000 0.894 334 Q CB -0.690 28.076 28.738 0.046 0.000 0.965 334 Q HN 0.480 nan 8.270 nan 0.000 0.475 335 E N 0.428 120.647 120.200 0.031 0.000 2.338 335 E HA -0.102 4.248 4.350 -0.000 0.000 0.197 335 E C 1.173 177.777 176.600 0.006 0.000 1.007 335 E CA 0.370 56.804 56.400 0.055 0.000 0.849 335 E CB 0.107 29.890 29.700 0.139 0.000 0.774 335 E HN 0.322 nan 8.360 nan 0.000 0.506 336 L N -0.284 120.887 121.223 -0.086 0.000 2.376 336 L HA 0.039 4.379 4.340 -0.000 0.000 0.219 336 L C 1.428 178.233 176.870 -0.108 0.000 1.133 336 L CA 1.086 55.841 54.840 -0.142 0.000 0.816 336 L CB -0.705 41.127 42.059 -0.379 0.000 0.933 336 L HN 0.154 nan 8.230 nan 0.000 0.449 337 G N 0.159 108.899 108.800 -0.101 0.000 2.338 337 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.296 337 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.296 337 G C -0.124 174.731 174.900 -0.076 0.000 1.040 337 G CA -0.000 45.065 45.100 -0.058 0.000 1.004 337 G HN 0.135 nan 8.290 nan 0.000 0.509 338 L N -0.166 120.942 121.223 -0.192 0.000 2.334 338 L HA 0.915 5.255 4.340 -0.000 0.000 0.275 338 L C 0.444 177.138 176.870 -0.293 0.000 1.036 338 L CA -0.443 54.257 54.840 -0.234 0.000 0.807 338 L CB 1.728 43.547 42.059 -0.400 0.000 1.231 338 L HN 0.659 nan 8.230 nan 0.000 0.438 339 K N 1.060 121.195 120.400 -0.441 0.000 2.617 339 K HA 0.555 4.875 4.320 -0.000 0.000 0.293 339 K C -1.884 174.749 176.600 0.055 0.000 1.034 339 K CA -1.026 55.099 56.287 -0.270 0.000 0.884 339 K CB 1.788 34.001 32.500 -0.479 0.000 1.541 339 K HN 0.506 nan 8.250 nan 0.000 0.409 340 W N 1.597 122.871 121.300 -0.042 0.000 3.275 340 W HA 0.302 4.962 4.660 -0.000 0.000 0.306 340 W C -1.345 175.245 176.519 0.117 0.000 1.259 340 W CA -0.810 56.612 57.345 0.128 0.000 1.194 340 W CB 1.361 30.755 29.460 -0.110 0.000 1.375 340 W HN 0.686 nan 8.180 nan 0.000 0.564 341 Y N 1.329 121.490 120.300 -0.232 0.000 2.480 341 Y HA 0.454 5.004 4.550 -0.000 0.000 0.338 341 Y C 0.812 176.851 175.900 0.230 0.000 1.220 341 Y CA 0.402 58.438 58.100 -0.107 0.000 1.430 341 Y CB 0.147 38.410 38.460 -0.330 0.000 1.311 341 Y HN 0.339 nan 8.280 nan 0.000 0.575 342 A N 2.628 125.658 122.820 0.350 0.000 2.178 342 A HA 0.149 4.469 4.320 -0.000 0.000 0.211 342 A C 0.277 178.218 177.584 0.595 0.000 1.157 342 A CA 0.080 52.395 52.037 0.464 0.000 0.780 342 A CB -0.181 18.922 19.000 0.172 0.000 0.828 342 A HN 0.645 nan 8.150 nan 0.000 0.476 343 L N 1.832 123.351 121.223 0.494 0.000 2.276 343 L HA 0.442 4.782 4.340 -0.000 0.000 0.286 343 L C -2.606 174.416 176.870 0.253 0.000 1.024 343 L CA -2.200 52.820 54.840 0.301 0.000 0.826 343 L CB 1.719 43.843 42.059 0.110 0.000 1.211 343 L HN -0.060 nan 8.230 nan 0.000 0.422 344 P HA 0.370 nan 4.420 nan 0.000 0.285 344 P C -1.476 175.691 177.300 -0.221 0.000 1.448 344 P CA -0.362 62.563 63.100 -0.292 0.000 0.953 344 P CB 1.309 32.502 31.700 -0.846 0.000 1.175 345 A N 4.476 127.176 122.820 -0.201 0.000 2.466 345 A HA 0.428 4.748 4.320 -0.000 0.000 0.291 345 A C -0.197 177.141 177.584 -0.410 0.000 1.234 345 A CA -0.650 51.213 52.037 -0.289 0.000 0.752 345 A CB 0.854 19.743 19.000 -0.184 0.000 1.153 345 A HN 0.275 nan 8.150 nan 0.000 0.458 346 V N 2.444 121.928 119.914 -0.715 0.000 2.529 346 V HA 0.296 4.416 4.120 -0.000 0.000 0.292 346 V C 1.334 176.978 176.094 -0.750 0.000 1.028 346 V CA 0.935 62.773 62.300 -0.769 0.000 1.074 346 V CB 0.522 31.753 31.823 -0.986 0.000 0.958 346 V HN 1.033 nan 8.190 nan 0.000 0.481 347 A N 4.654 127.230 122.820 -0.406 0.000 1.909 347 A HA 0.020 4.340 4.320 -0.000 0.000 0.210 347 A C 1.614 179.098 177.584 -0.167 0.000 1.273 347 A CA 0.678 52.562 52.037 -0.256 0.000 0.654 347 A CB -0.402 18.498 19.000 -0.167 0.000 0.945 347 A HN 0.915 nan 8.150 nan 0.000 0.471 348 N N -0.349 118.272 118.700 -0.132 0.000 2.535 348 N HA 0.070 4.810 4.740 -0.000 0.000 0.203 348 N C 0.174 175.660 175.510 -0.040 0.000 1.301 348 N CA -0.060 52.952 53.050 -0.063 0.000 0.859 348 N CB -0.201 38.260 38.487 -0.044 0.000 1.055 348 N HN 0.428 nan 8.380 nan 0.000 0.457 349 M N 0.940 120.521 119.600 -0.032 0.000 2.471 349 M HA 0.350 4.830 4.480 -0.000 0.000 0.309 349 M C -0.540 175.858 176.300 0.163 0.000 1.186 349 M CA -0.823 54.508 55.300 0.053 0.000 1.008 349 M CB 2.268 34.908 32.600 0.068 0.000 1.551 349 M HN 0.111 nan 8.290 nan 0.000 0.477 350 L N 2.502 123.862 121.223 0.229 0.000 2.333 350 L HA 0.500 4.840 4.340 -0.000 0.000 0.280 350 L C -1.441 175.644 176.870 0.358 0.000 1.004 350 L CA -0.990 54.012 54.840 0.270 0.000 0.820 350 L CB 1.469 43.652 42.059 0.206 0.000 1.247 350 L HN 0.554 nan 8.230 nan 0.000 0.416 351 L N 5.318 126.754 121.223 0.355 0.000 2.261 351 L HA 0.411 4.751 4.340 -0.000 0.000 0.289 351 L C -0.261 176.775 176.870 0.276 0.000 1.059 351 L CA 0.329 55.330 54.840 0.267 0.000 0.816 351 L CB 0.886 43.070 42.059 0.209 0.000 1.191 351 L HN 0.581 nan 8.230 nan 0.000 0.431 352 E N 4.931 125.252 120.200 0.201 0.000 2.175 352 E HA 0.526 4.876 4.350 -0.000 0.000 0.278 352 E C -1.805 174.842 176.600 0.078 0.000 0.969 352 E CA -0.362 56.119 56.400 0.134 0.000 0.796 352 E CB 1.830 31.606 29.700 0.126 0.000 1.104 352 E HN 0.507 nan 8.360 nan 0.000 0.395 353 V N 2.911 122.834 119.914 0.014 0.000 2.950 353 V HA 0.443 4.563 4.120 -0.000 0.000 0.295 353 V C 0.271 176.262 176.094 -0.172 0.000 1.297 353 V CA 0.363 62.597 62.300 -0.110 0.000 0.962 353 V CB 1.516 33.205 31.823 -0.225 0.000 1.081 353 V HN 0.878 nan 8.190 nan 0.000 0.432 354 G N 4.079 112.811 108.800 -0.114 0.000 2.450 354 G HA2 0.074 4.034 3.960 -0.000 0.000 0.302 354 G HA3 0.074 4.034 3.960 -0.000 0.000 0.302 354 G C 1.682 176.711 174.900 0.216 0.000 0.957 354 G CA 1.758 46.938 45.100 0.134 0.000 1.005 354 G HN 2.756 nan 8.290 nan 0.000 0.514 355 G N -2.051 106.819 108.800 0.117 0.000 2.299 355 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.237 355 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.237 355 G C 0.603 175.526 174.900 0.038 0.000 1.027 355 G CA 0.589 45.785 45.100 0.160 0.000 0.619 355 G HN 1.326 nan 8.290 nan 0.000 0.513 356 L N 1.343 122.541 121.223 -0.042 0.000 2.456 356 L HA 0.683 5.023 4.340 -0.000 0.000 0.257 356 L C 0.548 177.272 176.870 -0.243 0.000 1.162 356 L CA -0.242 54.468 54.840 -0.217 0.000 0.808 356 L CB 0.804 42.612 42.059 -0.418 0.000 1.136 356 L HN 0.539 nan 8.230 nan 0.000 0.466 357 E N 0.402 120.375 120.200 -0.378 0.000 2.291 357 E HA 0.398 4.748 4.350 -0.000 0.000 0.276 357 E C -1.714 174.692 176.600 -0.323 0.000 0.896 357 E CA -0.620 55.646 56.400 -0.224 0.000 0.774 357 E CB 1.263 30.898 29.700 -0.107 0.000 1.227 357 E HN 0.244 nan 8.360 nan 0.000 0.413 358 F N 3.248 123.206 119.950 0.013 0.000 2.293 358 F HA 0.308 4.835 4.527 -0.000 0.000 0.370 358 F C -1.562 174.288 175.800 0.085 0.000 1.090 358 F CA -2.577 55.449 58.000 0.044 0.000 1.133 358 F CB 1.389 40.413 39.000 0.040 0.000 1.360 358 F HN 0.364 nan 8.300 nan 0.000 0.489 359 P HA -0.012 nan 4.420 nan 0.000 0.244 359 P C -0.132 177.270 177.300 0.169 0.000 1.211 359 P CA 0.607 63.805 63.100 0.164 0.000 0.760 359 P CB 0.334 32.105 31.700 0.118 0.000 0.961 360 A N 0.169 123.121 122.820 0.220 0.000 2.497 360 A HA 0.536 4.856 4.320 -0.000 0.000 0.280 360 A C -0.249 177.479 177.584 0.239 0.000 1.065 360 A CA -0.388 51.742 52.037 0.156 0.000 0.781 360 A CB 0.309 19.361 19.000 0.087 0.000 1.289 360 A HN 0.257 nan 8.150 nan 0.000 0.415 361 C N 0.726 120.138 119.300 0.187 0.000 2.706 361 C HA 0.429 4.889 4.460 -0.000 0.000 0.283 361 C C -2.981 172.077 174.990 0.114 0.000 0.856 361 C CA -1.202 57.933 59.018 0.195 0.000 0.951 361 C CB -0.528 27.302 27.740 0.150 0.000 1.635 361 C HN 0.590 nan 8.230 nan 0.000 0.692 362 P HA 0.342 nan 4.420 nan 0.000 0.266 362 P C -0.450 176.790 177.300 -0.099 0.000 1.195 362 P CA 0.935 63.956 63.100 -0.132 0.000 0.768 362 P CB 0.562 32.220 31.700 -0.069 0.000 0.838 363 F N 0.031 119.891 119.950 -0.150 0.000 2.664 363 F HA 0.719 5.246 4.527 -0.000 0.000 0.329 363 F C -0.531 175.178 175.800 -0.153 0.000 1.090 363 F CA -1.148 56.741 58.000 -0.185 0.000 0.978 363 F CB 1.567 40.288 39.000 -0.466 0.000 1.378 363 F HN 0.365 nan 8.300 nan 0.000 0.495 364 N N -0.494 118.217 118.700 0.017 0.000 2.484 364 N HA 0.616 5.356 4.740 -0.000 0.000 0.269 364 N C -1.290 174.102 175.510 -0.196 0.000 1.237 364 N CA -0.362 52.614 53.050 -0.124 0.000 0.838 364 N CB 1.831 40.239 38.487 -0.132 0.000 1.593 364 N HN 1.074 nan 8.380 nan 0.000 0.485 365 G N -0.391 108.263 108.800 -0.243 0.000 3.302 365 G HA2 0.704 4.664 3.960 -0.000 0.000 0.170 365 G HA3 0.704 4.664 3.960 -0.000 0.000 0.170 365 G C -1.737 173.086 174.900 -0.128 0.000 1.119 365 G CA -0.611 44.265 45.100 -0.375 0.000 0.826 365 G HN 0.701 nan 8.290 nan 0.000 0.646 366 W N -1.383 119.884 121.300 -0.054 0.000 3.138 366 W HA 0.762 5.422 4.660 -0.000 0.000 0.331 366 W C -1.527 174.970 176.519 -0.038 0.000 1.166 366 W CA -2.534 54.800 57.345 -0.019 0.000 1.212 366 W CB 0.080 29.568 29.460 0.048 0.000 1.399 366 W HN 0.464 nan 8.180 nan 0.000 0.514 367 Y N 3.220 123.670 120.300 0.250 0.000 2.890 367 Y HA 0.023 4.573 4.550 -0.000 0.000 0.341 367 Y C 0.988 176.907 175.900 0.031 0.000 1.269 367 Y CA 0.516 58.640 58.100 0.040 0.000 1.517 367 Y CB 0.595 38.958 38.460 -0.162 0.000 1.314 367 Y HN 0.507 nan 8.280 nan 0.000 0.622 368 M N 3.284 122.990 119.600 0.176 0.000 2.134 368 M HA 0.302 4.782 4.480 -0.000 0.000 0.310 368 M C 1.079 177.342 176.300 -0.063 0.000 0.966 368 M CA -0.198 55.139 55.300 0.063 0.000 0.922 368 M CB 1.290 33.913 32.600 0.037 0.000 1.537 368 M HN 0.877 nan 8.290 nan 0.000 0.424 369 G N 2.547 111.265 108.800 -0.137 0.000 2.830 369 G HA2 -0.435 3.525 3.960 -0.000 0.000 0.230 369 G HA3 -0.435 3.525 3.960 -0.000 0.000 0.230 369 G C 1.121 175.845 174.900 -0.294 0.000 1.172 369 G CA 2.517 47.473 45.100 -0.240 0.000 0.764 369 G HN 0.889 nan 8.290 nan 0.000 0.640 370 T N -0.852 113.517 114.554 -0.308 0.000 2.802 370 T HA -0.154 4.196 4.350 -0.000 0.000 0.269 370 T C 1.949 176.465 174.700 -0.307 0.000 1.062 370 T CA 1.993 63.877 62.100 -0.359 0.000 1.133 370 T CB -0.451 68.152 68.868 -0.442 0.000 0.852 370 T HN 0.629 nan 8.240 nan 0.000 0.485 371 E N 0.840 120.892 120.200 -0.247 0.000 2.085 371 E HA -0.058 4.292 4.350 -0.000 0.000 0.194 371 E C 2.164 178.523 176.600 -0.400 0.000 0.994 371 E CA 1.567 57.841 56.400 -0.210 0.000 0.801 371 E CB -0.296 29.415 29.700 0.018 0.000 0.743 371 E HN 0.617 nan 8.360 nan 0.000 0.453 372 I N 0.171 120.372 120.570 -0.615 0.000 2.364 372 I HA -0.046 4.124 4.170 -0.000 0.000 0.241 372 I C 2.612 178.192 176.117 -0.895 0.000 1.082 372 I CA 0.858 61.494 61.300 -1.107 0.000 1.401 372 I CB -0.544 36.685 38.000 -1.284 0.000 1.126 372 I HN 0.104 nan 8.210 nan 0.000 0.429 373 G N 0.816 109.325 108.800 -0.485 0.000 2.418 373 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.217 373 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.217 373 G C 1.580 176.414 174.900 -0.110 0.000 1.158 373 G CA 1.326 46.329 45.100 -0.162 0.000 0.771 373 G HN 0.250 nan 8.290 nan 0.000 0.545 374 V N 0.146 119.936 119.914 -0.207 0.000 2.490 374 V HA 0.092 4.212 4.120 -0.000 0.000 0.238 374 V C 2.764 178.771 176.094 -0.146 0.000 1.056 374 V CA 0.836 63.042 62.300 -0.157 0.000 1.075 374 V CB -0.408 31.293 31.823 -0.203 0.000 0.746 374 V HN 0.091 nan 8.190 nan 0.000 0.479 375 R N 0.954 121.330 120.500 -0.208 0.000 2.060 375 R HA -0.063 4.277 4.340 -0.000 0.000 0.225 375 R C 2.022 178.228 176.300 -0.158 0.000 1.155 375 R CA 1.706 57.701 56.100 -0.175 0.000 0.930 375 R CB -1.207 28.974 30.300 -0.199 0.000 0.829 375 R HN 0.466 nan 8.270 nan 0.000 0.433 376 D N 0.419 120.627 120.400 -0.320 0.000 2.104 376 D HA -0.147 4.493 4.640 -0.000 0.000 0.194 376 D C 1.901 178.119 176.300 -0.137 0.000 0.994 376 D CA 1.219 54.976 54.000 -0.406 0.000 0.830 376 D CB -0.229 39.848 40.800 -1.206 0.000 0.959 376 D HN 0.095 nan 8.370 nan 0.000 0.452 377 F N 0.099 119.925 119.950 -0.207 0.000 2.335 377 F HA 0.033 4.560 4.527 -0.000 0.000 0.296 377 F C 2.330 178.149 175.800 0.031 0.000 1.091 377 F CA -0.139 57.827 58.000 -0.057 0.000 1.399 377 F CB -0.463 38.481 39.000 -0.093 0.000 1.067 377 F HN 0.037 nan 8.300 nan 0.000 0.520 378 C N -1.293 118.112 119.300 0.176 0.000 3.065 378 C HA 0.200 4.660 4.460 -0.000 0.000 0.285 378 C C 0.483 175.516 174.990 0.071 0.000 1.257 378 C CA -0.736 58.349 59.018 0.112 0.000 1.691 378 C CB -0.698 27.079 27.740 0.061 0.000 2.089 378 C HN 0.075 nan 8.230 nan 0.000 0.630 379 D N 1.409 121.842 120.400 0.056 0.000 2.423 379 D HA 0.092 4.732 4.640 -0.000 0.000 0.238 379 D C 1.312 177.653 176.300 0.068 0.000 1.142 379 D CA 0.614 54.640 54.000 0.044 0.000 0.884 379 D CB 0.887 41.708 40.800 0.035 0.000 1.199 379 D HN 0.133 nan 8.370 nan 0.000 0.438 380 T N 0.949 115.539 114.554 0.060 0.000 2.788 380 T HA -0.188 4.162 4.350 -0.000 0.000 0.268 380 T C 1.604 176.342 174.700 0.063 0.000 1.044 380 T CA 1.004 63.142 62.100 0.064 0.000 1.139 380 T CB -0.052 68.851 68.868 0.058 0.000 0.867 380 T HN 0.519 nan 8.240 nan 0.000 0.454 381 Q N 0.733 120.575 119.800 0.070 0.000 2.482 381 Q HA 0.073 4.413 4.340 -0.000 0.000 0.209 381 Q C 0.941 176.973 176.000 0.053 0.000 0.961 381 Q CA 0.435 56.281 55.803 0.071 0.000 0.945 381 Q CB 0.157 28.959 28.738 0.106 0.000 1.012 381 Q HN 0.315 nan 8.270 nan 0.000 0.515 382 R N -0.306 120.230 120.500 0.059 0.000 3.006 382 R HA 0.251 4.591 4.340 -0.000 0.000 0.150 382 R C 1.465 177.771 176.300 0.010 0.000 1.285 382 R CA -0.541 55.595 56.100 0.061 0.000 0.813 382 R CB -1.104 29.292 30.300 0.159 0.000 1.582 382 R HN 0.046 nan 8.270 nan 0.000 0.441 383 Y N 1.476 121.869 120.300 0.155 0.000 2.497 383 Y HA -0.106 4.444 4.550 -0.000 0.000 0.292 383 Y C 0.619 176.588 175.900 0.114 0.000 1.137 383 Y CA 0.891 59.084 58.100 0.155 0.000 1.285 383 Y CB -0.440 38.181 38.460 0.268 0.000 0.991 383 Y HN 0.495 nan 8.280 nan 0.000 0.556 384 N N 0.879 119.710 118.700 0.219 0.000 2.652 384 N HA -0.232 4.508 4.740 -0.000 0.000 0.281 384 N C 0.407 176.009 175.510 0.153 0.000 1.084 384 N CA 0.832 53.973 53.050 0.153 0.000 0.775 384 N CB -1.102 37.447 38.487 0.103 0.000 0.923 384 N HN 0.666 nan 8.380 nan 0.000 0.558 385 I N -2.384 118.283 120.570 0.163 0.000 3.645 385 I HA 0.069 4.239 4.170 -0.000 0.000 0.300 385 I C 1.895 178.100 176.117 0.147 0.000 1.260 385 I CA -0.321 61.052 61.300 0.121 0.000 1.365 385 I CB -0.163 37.860 38.000 0.038 0.000 1.077 385 I HN 0.247 nan 8.210 nan 0.000 0.439 386 L N 1.687 123.013 121.223 0.172 0.000 2.085 386 L HA -0.301 4.039 4.340 -0.000 0.000 0.218 386 L C 2.707 179.784 176.870 0.347 0.000 1.080 386 L CA 2.454 57.437 54.840 0.238 0.000 0.776 386 L CB -0.394 41.769 42.059 0.173 0.000 0.891 386 L HN 0.477 nan 8.230 nan 0.000 0.437 387 E N 0.741 121.099 120.200 0.263 0.000 2.033 387 E HA -0.299 4.051 4.350 -0.000 0.000 0.199 387 E C 1.885 178.517 176.600 0.053 0.000 1.011 387 E CA 2.339 58.841 56.400 0.170 0.000 0.815 387 E CB -0.174 29.587 29.700 0.102 0.000 0.755 387 E HN 0.683 nan 8.360 nan 0.000 0.451 388 E N -0.428 119.812 120.200 0.066 0.000 2.216 388 E HA -0.069 4.281 4.350 -0.000 0.000 0.192 388 E C 2.076 178.720 176.600 0.075 0.000 0.988 388 E CA 1.024 57.441 56.400 0.028 0.000 0.834 388 E CB -0.066 29.648 29.700 0.024 0.000 0.772 388 E HN 0.201 nan 8.360 nan 0.000 0.479 389 V N 1.609 121.633 119.914 0.183 0.000 2.626 389 V HA -0.125 3.995 4.120 -0.000 0.000 0.252 389 V C 2.393 178.649 176.094 0.272 0.000 1.067 389 V CA 1.801 64.299 62.300 0.331 0.000 1.081 389 V CB -0.658 31.375 31.823 0.351 0.000 0.686 389 V HN 0.522 nan 8.190 nan 0.000 0.468 390 G N -0.284 108.632 108.800 0.193 0.000 2.404 390 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.214 390 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.214 390 G C 1.746 176.591 174.900 -0.091 0.000 1.189 390 G CA 0.421 45.584 45.100 0.105 0.000 0.789 390 G HN 0.367 nan 8.290 nan 0.000 0.533 391 R N 0.091 120.490 120.500 -0.168 0.000 2.094 391 R HA -0.043 4.297 4.340 -0.000 0.000 0.239 391 R C 2.762 178.929 176.300 -0.222 0.000 1.137 391 R CA 1.441 57.421 56.100 -0.201 0.000 0.943 391 R CB -0.289 29.910 30.300 -0.169 0.000 0.850 391 R HN 0.231 nan 8.270 nan 0.000 0.433 392 R N -0.139 120.179 120.500 -0.302 0.000 2.241 392 R HA -0.036 4.304 4.340 -0.000 0.000 0.224 392 R C 2.019 177.949 176.300 -0.617 0.000 1.101 392 R CA 1.027 56.726 56.100 -0.667 0.000 0.995 392 R CB -0.041 29.559 30.300 -1.167 0.000 0.870 392 R HN 0.274 nan 8.270 nan 0.000 0.463 393 M N -1.275 118.237 119.600 -0.147 0.000 2.514 393 M HA 0.108 4.588 4.480 -0.000 0.000 0.258 393 M C 1.030 177.357 176.300 0.045 0.000 1.119 393 M CA 0.841 56.239 55.300 0.163 0.000 1.111 393 M CB 0.783 33.568 32.600 0.308 0.000 1.390 393 M HN 0.449 nan 8.290 nan 0.000 0.475 394 G N 0.582 109.342 108.800 -0.066 0.000 2.176 394 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.253 394 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.253 394 G C 0.001 174.864 174.900 -0.061 0.000 0.979 394 G CA -0.436 44.620 45.100 -0.072 0.000 0.641 394 G HN 0.226 nan 8.290 nan 0.000 0.530 395 L N 0.695 121.884 121.223 -0.058 0.000 2.476 395 L HA 0.333 4.673 4.340 -0.000 0.000 0.264 395 L C 1.056 177.804 176.870 -0.203 0.000 1.224 395 L CA 0.034 54.835 54.840 -0.065 0.000 0.821 395 L CB -0.143 41.942 42.059 0.043 0.000 1.101 395 L HN 0.328 nan 8.230 nan 0.000 0.488 396 E N 0.311 120.421 120.200 -0.149 0.000 1.842 396 E HA 0.046 4.396 4.350 -0.000 0.000 0.278 396 E C 0.757 177.085 176.600 -0.453 0.000 1.171 396 E CA -0.049 56.250 56.400 -0.167 0.000 1.127 396 E CB -0.193 29.498 29.700 -0.016 0.000 1.100 396 E HN 0.508 nan 8.360 nan 0.000 0.456 397 T N 0.791 114.867 114.554 -0.796 0.000 2.996 397 T HA -0.154 4.195 4.350 -0.000 0.000 0.271 397 T C 0.802 174.987 174.700 -0.859 0.000 1.126 397 T CA 0.965 62.211 62.100 -1.423 0.000 1.103 397 T CB -0.134 68.005 68.868 -1.214 0.000 0.870 397 T HN 0.513 nan 8.240 nan 0.000 0.528 398 H N 0.255 119.197 119.070 -0.212 0.000 2.505 398 H HA 0.252 4.808 4.556 -0.000 0.000 0.286 398 H C -0.012 175.350 175.328 0.057 0.000 1.072 398 H CA 0.143 56.172 56.048 -0.032 0.000 1.141 398 H CB 0.487 30.221 29.762 -0.046 0.000 1.550 398 H HN 0.167 nan 8.280 nan 0.000 0.547 399 T N 2.733 117.386 114.554 0.165 0.000 3.009 399 T HA 0.109 4.458 4.350 -0.000 0.000 0.346 399 T C 1.251 176.141 174.700 0.316 0.000 1.092 399 T CA -0.460 61.758 62.100 0.197 0.000 1.080 399 T CB 1.343 70.296 68.868 0.141 0.000 1.037 399 T HN 0.002 nan 8.240 nan 0.000 0.487 400 L N 2.028 123.410 121.223 0.265 0.000 2.043 400 L HA -0.127 4.213 4.340 -0.000 0.000 0.212 400 L C 2.722 179.664 176.870 0.120 0.000 1.075 400 L CA 2.091 57.045 54.840 0.190 0.000 0.752 400 L CB -1.406 40.709 42.059 0.094 0.000 0.891 400 L HN 0.747 nan 8.230 nan 0.000 0.432 401 A N -0.407 122.480 122.820 0.111 0.000 2.186 401 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 401 A C 2.291 179.933 177.584 0.098 0.000 1.159 401 A CA 1.489 53.575 52.037 0.080 0.000 0.680 401 A CB -0.555 18.486 19.000 0.069 0.000 0.787 401 A HN 0.616 nan 8.150 nan 0.000 0.467 402 S N -0.649 115.150 115.700 0.165 0.000 2.561 402 S HA 0.163 4.633 4.470 -0.000 0.000 0.225 402 S C 0.855 175.554 174.600 0.166 0.000 0.977 402 S CA 0.502 58.808 58.200 0.176 0.000 0.926 402 S CB -0.699 62.637 63.200 0.228 0.000 0.769 402 S HN 0.792 nan 8.310 nan 0.000 0.533 403 L N 0.534 121.818 121.223 0.101 0.000 3.843 403 L HA -0.192 4.148 4.340 -0.000 0.000 0.411 403 L C 1.712 178.607 176.870 0.041 0.000 1.205 403 L CA 0.880 55.723 54.840 0.004 0.000 0.945 403 L CB -2.622 39.447 42.059 0.016 0.000 1.929 403 L HN 0.758 nan 8.230 nan 0.000 0.934 404 W N 0.389 121.699 121.300 0.017 0.000 2.358 404 W HA -0.149 4.511 4.660 -0.000 0.000 0.303 404 W C 1.779 178.310 176.519 0.019 0.000 1.208 404 W CA 1.336 58.693 57.345 0.019 0.000 1.274 404 W CB -0.836 28.630 29.460 0.010 0.000 1.138 404 W HN 0.225 nan 8.180 nan 0.000 0.515 405 K N 0.951 120.871 120.400 -0.800 0.000 2.074 405 K HA -0.207 4.113 4.320 -0.000 0.000 0.209 405 K C 1.478 177.918 176.600 -0.266 0.000 1.048 405 K CA 2.456 58.276 56.287 -0.778 0.000 0.926 405 K CB -0.404 31.480 32.500 -1.027 0.000 0.713 405 K HN 0.061 nan 8.250 nan 0.000 0.444 406 D N 0.072 120.358 120.400 -0.190 0.000 2.117 406 D HA -0.100 4.540 4.640 -0.000 0.000 0.197 406 D C 1.974 178.266 176.300 -0.014 0.000 0.987 406 D CA 1.093 55.043 54.000 -0.083 0.000 0.829 406 D CB -0.017 40.749 40.800 -0.056 0.000 0.961 406 D HN 0.136 nan 8.370 nan 0.000 0.460 407 R N 0.520 121.041 120.500 0.036 0.000 2.066 407 R HA 0.028 4.368 4.340 -0.000 0.000 0.232 407 R C 2.298 178.646 176.300 0.080 0.000 1.131 407 R CA 1.165 57.312 56.100 0.077 0.000 0.955 407 R CB -0.379 29.998 30.300 0.128 0.000 0.851 407 R HN 0.134 nan 8.270 nan 0.000 0.432 408 A N 0.944 123.843 122.820 0.132 0.000 1.859 408 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 408 A C 2.389 180.016 177.584 0.071 0.000 1.198 408 A CA 1.924 54.049 52.037 0.147 0.000 0.629 408 A CB -0.943 18.222 19.000 0.275 0.000 0.830 408 A HN 0.125 nan 8.150 nan 0.000 0.446 409 V N -0.166 119.770 119.914 0.038 0.000 2.278 409 V HA -0.316 3.804 4.120 -0.000 0.000 0.251 409 V C 2.711 178.796 176.094 -0.014 0.000 1.062 409 V CA 2.667 64.970 62.300 0.005 0.000 1.038 409 V CB -1.586 30.214 31.823 -0.039 0.000 0.646 409 V HN 0.637 nan 8.190 nan 0.000 0.447 410 T N -0.553 113.995 114.554 -0.010 0.000 2.720 410 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 410 T C 1.876 176.553 174.700 -0.039 0.000 1.037 410 T CA 1.619 63.714 62.100 -0.009 0.000 1.144 410 T CB -0.278 68.600 68.868 0.017 0.000 0.864 410 T HN 0.521 nan 8.240 nan 0.000 0.444 411 E N 0.846 121.014 120.200 -0.053 0.000 2.106 411 E HA 0.021 4.371 4.350 -0.000 0.000 0.192 411 E C 2.268 178.740 176.600 -0.212 0.000 0.984 411 E CA 0.651 56.983 56.400 -0.114 0.000 0.806 411 E CB -0.415 29.144 29.700 -0.235 0.000 0.750 411 E HN 0.535 nan 8.360 nan 0.000 0.458 412 I N 1.681 122.178 120.570 -0.122 0.000 2.286 412 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 412 I C 2.033 178.108 176.117 -0.070 0.000 1.115 412 I CA 0.783 62.046 61.300 -0.061 0.000 1.392 412 I CB -0.367 37.713 38.000 0.134 0.000 1.065 412 I HN 0.039 nan 8.210 nan 0.000 0.418 413 N N 0.849 119.503 118.700 -0.077 0.000 2.084 413 N HA -0.140 4.600 4.740 -0.000 0.000 0.190 413 N C 1.957 177.401 175.510 -0.111 0.000 1.030 413 N CA 1.811 54.806 53.050 -0.091 0.000 0.849 413 N CB -0.450 37.986 38.487 -0.084 0.000 1.012 413 N HN 0.278 nan 8.380 nan 0.000 0.423 414 V N 0.251 120.067 119.914 -0.163 0.000 2.515 414 V HA -0.071 4.049 4.120 -0.000 0.000 0.250 414 V C 2.477 178.398 176.094 -0.288 0.000 1.058 414 V CA 1.566 63.734 62.300 -0.219 0.000 1.064 414 V CB -1.326 30.316 31.823 -0.302 0.000 0.675 414 V HN 0.194 nan 8.190 nan 0.000 0.461 415 A N 0.727 123.294 122.820 -0.421 0.000 1.865 415 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 415 A C 2.433 179.999 177.584 -0.030 0.000 1.191 415 A CA 2.347 54.150 52.037 -0.390 0.000 0.623 415 A CB -0.911 17.633 19.000 -0.760 0.000 0.826 415 A HN 0.352 nan 8.150 nan 0.000 0.444 416 V N -0.351 119.580 119.914 0.030 0.000 2.255 416 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 416 V C 2.557 178.721 176.094 0.116 0.000 1.051 416 V CA 2.121 64.497 62.300 0.125 0.000 1.018 416 V CB -0.856 30.963 31.823 -0.007 0.000 0.641 416 V HN 0.494 nan 8.190 nan 0.000 0.445 417 L N -0.487 120.740 121.223 0.006 0.000 2.042 417 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 417 L C 2.473 179.395 176.870 0.087 0.000 1.076 417 L CA 2.261 57.112 54.840 0.018 0.000 0.749 417 L CB -1.130 40.925 42.059 -0.006 0.000 0.893 417 L HN 0.487 nan 8.230 nan 0.000 0.432 418 H N -1.018 118.024 119.070 -0.048 0.000 2.293 418 H HA -0.145 4.411 4.556 -0.000 0.000 0.300 418 H C 2.206 177.538 175.328 0.007 0.000 1.082 418 H CA 1.725 57.739 56.048 -0.057 0.000 1.308 418 H CB 0.372 30.041 29.762 -0.156 0.000 1.375 418 H HN 0.297 nan 8.280 nan 0.000 0.495 419 S N 0.231 115.899 115.700 -0.052 0.000 2.370 419 S HA -0.150 4.320 4.470 -0.000 0.000 0.226 419 S C 1.940 176.506 174.600 -0.057 0.000 1.033 419 S CA 1.404 59.555 58.200 -0.082 0.000 1.011 419 S CB -0.465 62.772 63.200 0.061 0.000 0.852 419 S HN 0.302 nan 8.310 nan 0.000 0.457 420 F N 1.446 121.342 119.950 -0.089 0.000 2.163 420 F HA -0.025 4.502 4.527 -0.000 0.000 0.297 420 F C 2.709 178.456 175.800 -0.087 0.000 1.094 420 F CA 1.093 59.053 58.000 -0.066 0.000 1.290 420 F CB -0.535 38.440 39.000 -0.041 0.000 1.017 420 F HN 0.165 nan 8.300 nan 0.000 0.483 421 Q N 0.355 120.209 119.800 0.091 0.000 2.050 421 Q HA -0.260 4.080 4.340 -0.000 0.000 0.202 421 Q C 2.241 178.198 176.000 -0.071 0.000 0.980 421 Q CA 1.908 57.715 55.803 0.006 0.000 0.840 421 Q CB -0.067 28.676 28.738 0.008 0.000 0.898 421 Q HN 0.232 nan 8.270 nan 0.000 0.424 422 K N 0.248 120.544 120.400 -0.173 0.000 2.009 422 K HA -0.177 4.143 4.320 -0.000 0.000 0.210 422 K C 1.363 177.879 176.600 -0.140 0.000 1.049 422 K CA 1.805 57.965 56.287 -0.212 0.000 0.929 422 K CB 0.082 32.347 32.500 -0.392 0.000 0.714 422 K HN 0.226 nan 8.250 nan 0.000 0.440 423 Q N 0.803 120.515 119.800 -0.147 0.000 2.253 423 Q HA 0.107 4.447 4.340 -0.000 0.000 0.210 423 Q C -0.672 175.263 176.000 -0.108 0.000 0.907 423 Q CA -0.178 55.546 55.803 -0.132 0.000 0.948 423 Q CB 0.095 28.730 28.738 -0.171 0.000 1.033 423 Q HN 0.304 nan 8.270 nan 0.000 0.471 424 N N 0.350 119.002 118.700 -0.080 0.000 2.705 424 N HA -0.154 4.586 4.740 -0.000 0.000 0.255 424 N C -1.346 174.136 175.510 -0.047 0.000 1.008 424 N CA 0.584 53.600 53.050 -0.057 0.000 0.742 424 N CB -0.955 37.499 38.487 -0.055 0.000 0.906 424 N HN 0.057 nan 8.380 nan 0.000 0.541 425 V N 1.005 120.907 119.914 -0.020 0.000 2.409 425 V HA 0.214 4.334 4.120 -0.000 0.000 0.291 425 V C 0.829 177.028 176.094 0.175 0.000 1.020 425 V CA -0.690 61.635 62.300 0.042 0.000 0.848 425 V CB 1.971 33.742 31.823 -0.087 0.000 0.990 425 V HN 0.193 nan 8.190 nan 0.000 0.430 426 T N 6.345 120.939 114.554 0.066 0.000 2.939 426 T HA 0.360 4.710 4.350 -0.000 0.000 0.312 426 T C -0.203 174.526 174.700 0.048 0.000 1.064 426 T CA 0.959 63.015 62.100 -0.073 0.000 1.136 426 T CB 0.158 68.837 68.868 -0.314 0.000 1.035 426 T HN 0.595 nan 8.240 nan 0.000 0.538 427 I N 1.860 122.375 120.570 -0.092 0.000 2.897 427 I HA 0.500 4.670 4.170 -0.000 0.000 0.299 427 I C -1.769 174.321 176.117 -0.045 0.000 1.527 427 I CA -0.936 60.331 61.300 -0.054 0.000 0.979 427 I CB 1.945 39.829 38.000 -0.194 0.000 1.360 427 I HN 0.661 nan 8.210 nan 0.000 0.495 428 M N 5.035 124.668 119.600 0.055 0.000 2.267 428 M HA 0.366 4.846 4.480 -0.000 0.000 0.289 428 M C -1.550 174.801 176.300 0.085 0.000 1.043 428 M CA -0.518 54.839 55.300 0.094 0.000 0.928 428 M CB 1.582 34.320 32.600 0.229 0.000 1.613 428 M HN 0.601 nan 8.290 nan 0.000 0.450 429 D N 2.468 122.921 120.400 0.087 0.000 2.400 429 D HA -0.011 4.629 4.640 -0.000 0.000 0.238 429 D C 1.176 177.584 176.300 0.179 0.000 1.157 429 D CA 0.047 54.141 54.000 0.155 0.000 0.889 429 D CB 0.554 41.449 40.800 0.159 0.000 1.199 429 D HN 0.691 nan 8.370 nan 0.000 0.436 430 H N 0.708 119.745 119.070 -0.054 0.000 2.456 430 H HA -0.171 4.385 4.556 -0.000 0.000 0.296 430 H C 1.134 176.364 175.328 -0.162 0.000 1.079 430 H CA 1.629 57.591 56.048 -0.143 0.000 1.322 430 H CB -0.805 28.810 29.762 -0.245 0.000 1.388 430 H HN 0.580 nan 8.280 nan 0.000 0.538 431 H N 1.117 120.003 119.070 -0.308 0.000 2.276 431 H HA -0.075 4.481 4.556 -0.000 0.000 0.301 431 H C 2.401 177.687 175.328 -0.070 0.000 1.073 431 H CA 2.395 58.306 56.048 -0.228 0.000 1.311 431 H CB -0.354 29.249 29.762 -0.264 0.000 1.379 431 H HN 0.587 nan 8.280 nan 0.000 0.494 432 T N -0.270 114.346 114.554 0.103 0.000 2.803 432 T HA -0.082 4.268 4.350 -0.000 0.000 0.269 432 T C 2.277 177.036 174.700 0.098 0.000 1.052 432 T CA 1.101 63.253 62.100 0.086 0.000 1.136 432 T CB -0.481 68.433 68.868 0.076 0.000 0.864 432 T HN 0.362 nan 8.240 nan 0.000 0.467 433 A N 1.876 124.753 122.820 0.096 0.000 1.858 433 A HA -0.017 4.303 4.320 -0.000 0.000 0.216 433 A C 2.741 180.395 177.584 0.117 0.000 1.190 433 A CA 1.921 54.026 52.037 0.113 0.000 0.617 433 A CB -1.116 17.939 19.000 0.091 0.000 0.827 433 A HN 0.531 nan 8.150 nan 0.000 0.443 434 S N -0.088 115.653 115.700 0.070 0.000 2.368 434 S HA -0.163 4.307 4.470 -0.000 0.000 0.225 434 S C 1.818 176.505 174.600 0.146 0.000 1.030 434 S CA 1.445 59.700 58.200 0.092 0.000 0.999 434 S CB -0.374 62.828 63.200 0.003 0.000 0.844 434 S HN 0.674 nan 8.310 nan 0.000 0.459 435 E N 1.352 121.615 120.200 0.105 0.000 2.118 435 E HA -0.149 4.201 4.350 -0.000 0.000 0.195 435 E C 2.437 179.100 176.600 0.105 0.000 0.992 435 E CA 1.516 57.974 56.400 0.096 0.000 0.804 435 E CB -0.267 29.479 29.700 0.075 0.000 0.741 435 E HN 0.656 nan 8.360 nan 0.000 0.458 436 S N 0.641 116.416 115.700 0.125 0.000 2.387 436 S HA -0.154 4.316 4.470 -0.000 0.000 0.226 436 S C 1.916 176.606 174.600 0.149 0.000 1.026 436 S CA 0.517 58.793 58.200 0.125 0.000 0.972 436 S CB -0.475 62.807 63.200 0.137 0.000 0.814 436 S HN 0.291 nan 8.310 nan 0.000 0.477 437 F N 2.261 122.250 119.950 0.064 0.000 2.171 437 F HA 0.065 4.592 4.527 -0.000 0.000 0.300 437 F C 2.305 178.168 175.800 0.105 0.000 1.090 437 F CA 1.260 59.311 58.000 0.084 0.000 1.293 437 F CB -0.337 38.688 39.000 0.042 0.000 1.013 437 F HN 0.091 nan 8.300 nan 0.000 0.486 438 M N 0.149 119.790 119.600 0.069 0.000 2.108 438 M HA -0.205 4.275 4.480 -0.000 0.000 0.261 438 M C 2.220 178.466 176.300 -0.090 0.000 1.066 438 M CA 1.606 56.895 55.300 -0.019 0.000 1.107 438 M CB -1.164 31.471 32.600 0.059 0.000 1.356 438 M HN 0.084 nan 8.290 nan 0.000 0.406 439 K N -0.502 119.880 120.400 -0.029 0.000 2.148 439 K HA -0.191 4.129 4.320 -0.000 0.000 0.204 439 K C 1.908 178.476 176.600 -0.053 0.000 1.050 439 K CA 1.548 57.822 56.287 -0.022 0.000 0.942 439 K CB -0.480 32.035 32.500 0.026 0.000 0.724 439 K HN 0.323 nan 8.250 nan 0.000 0.446 440 H N 0.031 118.974 119.070 -0.210 0.000 2.293 440 H HA -0.029 4.527 4.556 -0.000 0.000 0.300 440 H C 1.784 176.933 175.328 -0.298 0.000 1.082 440 H CA 2.567 58.457 56.048 -0.264 0.000 1.308 440 H CB -0.145 29.384 29.762 -0.389 0.000 1.375 440 H HN 0.149 nan 8.280 nan 0.000 0.495 441 M N 0.063 119.341 119.600 -0.537 0.000 2.082 441 M HA -0.280 4.200 4.480 -0.000 0.000 0.258 441 M C 2.415 178.601 176.300 -0.189 0.000 1.069 441 M CA 2.136 57.211 55.300 -0.374 0.000 1.102 441 M CB -0.343 32.061 32.600 -0.327 0.000 1.336 441 M HN 0.454 nan 8.290 nan 0.000 0.404 442 Q N -0.011 119.685 119.800 -0.173 0.000 2.112 442 Q HA -0.201 4.139 4.340 -0.000 0.000 0.206 442 Q C 1.734 177.690 176.000 -0.073 0.000 0.987 442 Q CA 1.488 57.233 55.803 -0.098 0.000 0.858 442 Q CB -0.323 28.370 28.738 -0.075 0.000 0.905 442 Q HN 0.552 nan 8.270 nan 0.000 0.420 443 N N 0.259 118.887 118.700 -0.119 0.000 2.207 443 N HA -0.127 4.613 4.740 -0.000 0.000 0.182 443 N C 1.611 177.028 175.510 -0.156 0.000 1.020 443 N CA 0.951 53.940 53.050 -0.102 0.000 0.858 443 N CB -0.148 38.298 38.487 -0.069 0.000 0.991 443 N HN 0.176 nan 8.380 nan 0.000 0.427 444 E N 0.293 120.317 120.200 -0.293 0.000 2.051 444 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 444 E C 1.627 178.122 176.600 -0.176 0.000 0.991 444 E CA 1.182 57.382 56.400 -0.334 0.000 0.799 444 E CB -0.261 29.124 29.700 -0.526 0.000 0.748 444 E HN 0.339 nan 8.360 nan 0.000 0.449 445 Y N 0.259 120.441 120.300 -0.196 0.000 2.163 445 Y HA -0.113 4.437 4.550 -0.000 0.000 0.288 445 Y C 2.563 178.407 175.900 -0.092 0.000 1.136 445 Y CA 1.882 59.913 58.100 -0.115 0.000 1.147 445 Y CB -0.427 37.981 38.460 -0.087 0.000 0.987 445 Y HN 0.010 nan 8.280 nan 0.000 0.509 446 R N 0.361 120.901 120.500 0.067 0.000 2.091 446 R HA -0.180 4.160 4.340 -0.000 0.000 0.238 446 R C 2.132 178.416 176.300 -0.026 0.000 1.136 446 R CA 1.443 57.552 56.100 0.016 0.000 0.959 446 R CB -0.486 29.816 30.300 0.003 0.000 0.856 446 R HN 0.292 nan 8.270 nan 0.000 0.437 447 A N 1.671 124.456 122.820 -0.059 0.000 1.822 447 A HA -0.152 4.168 4.320 -0.000 0.000 0.214 447 A C 2.069 179.597 177.584 -0.094 0.000 1.245 447 A CA 1.551 53.543 52.037 -0.075 0.000 0.608 447 A CB -0.620 18.321 19.000 -0.098 0.000 0.896 447 A HN 0.568 nan 8.150 nan 0.000 0.457 448 R N -1.202 119.210 120.500 -0.146 0.000 2.276 448 R HA 0.314 4.654 4.340 -0.000 0.000 0.196 448 R C 1.055 177.254 176.300 -0.169 0.000 0.961 448 R CA 0.942 56.953 56.100 -0.147 0.000 1.024 448 R CB -0.233 29.967 30.300 -0.167 0.000 0.940 448 R HN 1.190 nan 8.270 nan 0.000 0.480 449 G N -0.224 108.446 108.800 -0.217 0.000 2.144 449 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.218 449 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.218 449 G C 0.134 174.703 174.900 -0.551 0.000 0.988 449 G CA -0.260 44.682 45.100 -0.264 0.000 0.659 449 G HN 0.866 nan 8.290 nan 0.000 0.522 450 G N -2.239 106.079 108.800 -0.803 0.000 2.430 450 G HA2 0.623 4.583 3.960 -0.000 0.000 0.300 450 G HA3 0.623 4.583 3.960 -0.000 0.000 0.300 450 G C -0.974 173.525 174.900 -0.668 0.000 1.330 450 G CA 0.321 44.794 45.100 -1.046 0.000 0.813 450 G HN 1.874 nan 8.290 nan 0.000 0.487 451 C N 1.723 120.885 119.300 -0.230 0.000 3.102 451 C HA 0.500 4.960 4.460 -0.000 0.000 0.386 451 C C -2.721 172.227 174.990 -0.071 0.000 1.065 451 C CA -1.041 57.939 59.018 -0.063 0.000 1.299 451 C CB 0.644 28.420 27.740 0.061 0.000 1.660 451 C HN 0.668 nan 8.230 nan 0.000 0.517 452 P HA 0.345 nan 4.420 nan 0.000 0.262 452 P C -0.407 176.785 177.300 -0.179 0.000 1.199 452 P CA 0.862 63.546 63.100 -0.693 0.000 0.763 452 P CB 0.797 32.070 31.700 -0.713 0.000 0.790 453 A N 3.092 125.869 122.820 -0.071 0.000 2.398 453 A HA 0.383 4.703 4.320 -0.000 0.000 0.301 453 A C -0.748 176.890 177.584 0.090 0.000 1.041 453 A CA -0.578 51.511 52.037 0.087 0.000 0.711 453 A CB 1.177 20.326 19.000 0.248 0.000 1.240 453 A HN 0.448 nan 8.150 nan 0.000 0.420 454 D N 2.407 122.854 120.400 0.079 0.000 2.467 454 D HA 0.104 4.744 4.640 -0.000 0.000 0.220 454 D C 0.803 177.227 176.300 0.205 0.000 1.103 454 D CA -0.481 53.600 54.000 0.136 0.000 0.886 454 D CB 0.359 41.209 40.800 0.083 0.000 1.025 454 D HN 0.653 nan 8.370 nan 0.000 0.514 455 W N 4.810 126.134 121.300 0.040 0.000 2.318 455 W HA -0.236 4.424 4.660 0.000 0.000 0.313 455 W C 1.817 178.352 176.519 0.027 0.000 1.221 455 W CA 1.224 58.574 57.345 0.008 0.000 1.266 455 W CB -0.087 29.358 29.460 -0.025 0.000 1.150 455 W HN 0.440 nan 8.180 nan 0.000 0.496 456 I N -0.799 120.091 120.570 0.533 0.000 2.236 456 I HA -0.351 3.819 4.170 -0.000 0.000 0.249 456 I C 1.927 178.137 176.117 0.155 0.000 1.102 456 I CA 1.818 63.362 61.300 0.406 0.000 1.365 456 I CB -0.756 37.488 38.000 0.408 0.000 1.051 456 I HN 0.165 nan 8.210 nan 0.000 0.420 457 W N 0.410 121.683 121.300 -0.045 0.000 2.525 457 W HA 0.070 4.730 4.660 -0.000 0.000 0.288 457 W C 2.378 178.768 176.519 -0.215 0.000 1.200 457 W CA 0.359 57.639 57.345 -0.109 0.000 1.349 457 W CB -0.593 28.826 29.460 -0.068 0.000 1.102 457 W HN -0.058 nan 8.180 nan 0.000 0.558 458 L N 0.026 121.200 121.223 -0.083 0.000 2.191 458 L HA -0.094 4.246 4.340 -0.000 0.000 0.212 458 L C 0.592 177.221 176.870 -0.401 0.000 1.103 458 L CA 0.403 55.060 54.840 -0.306 0.000 0.769 458 L CB -1.036 40.768 42.059 -0.425 0.000 0.908 458 L HN -0.370 nan 8.230 nan 0.000 0.438 459 V N 1.007 120.600 119.914 -0.536 0.000 2.455 459 V HA 0.143 4.263 4.120 -0.000 0.000 0.273 459 V C -1.850 174.024 176.094 -0.367 0.000 1.045 459 V CA -1.461 60.498 62.300 -0.568 0.000 0.976 459 V CB 0.425 31.642 31.823 -1.011 0.000 0.993 459 V HN 0.026 nan 8.190 nan 0.000 0.475 460 P HA 0.019 nan 4.420 nan 0.000 0.266 460 P C -1.719 175.462 177.300 -0.199 0.000 1.186 460 P CA -0.708 62.272 63.100 -0.200 0.000 0.767 460 P CB 0.085 31.733 31.700 -0.088 0.000 0.820 461 P HA -0.060 nan 4.420 nan 0.000 0.239 461 P C -0.104 177.108 177.300 -0.146 0.000 1.184 461 P CA 1.023 64.008 63.100 -0.191 0.000 0.760 461 P CB 0.126 31.695 31.700 -0.218 0.000 0.884 462 V N -6.535 113.293 119.914 -0.143 0.000 3.087 462 V HA 0.555 4.675 4.120 -0.000 0.000 0.306 462 V C 0.137 176.216 176.094 -0.025 0.000 1.187 462 V CA -0.941 61.306 62.300 -0.089 0.000 0.999 462 V CB 1.413 33.169 31.823 -0.111 0.000 1.049 462 V HN -0.111 nan 8.190 nan 0.000 0.431 463 S N 1.371 117.063 115.700 -0.014 0.000 3.682 463 S HA -0.180 4.290 4.470 -0.000 0.000 0.354 463 S C 1.528 176.077 174.600 -0.084 0.000 1.034 463 S CA 1.141 59.333 58.200 -0.014 0.000 1.084 463 S CB -1.568 61.678 63.200 0.077 0.000 0.903 463 S HN 2.064 nan 8.310 nan 0.000 0.470 464 G N 2.537 111.281 108.800 -0.094 0.000 2.628 464 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.217 464 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.217 464 G C 1.499 176.220 174.900 -0.299 0.000 1.240 464 G CA 1.560 46.613 45.100 -0.079 0.000 0.792 464 G HN 1.288 nan 8.290 nan 0.000 0.593 465 S N 0.390 115.612 115.700 -0.797 0.000 2.500 465 S HA -0.014 4.456 4.470 -0.000 0.000 0.239 465 S C 2.108 176.501 174.600 -0.346 0.000 0.989 465 S CA 0.921 58.517 58.200 -1.007 0.000 0.951 465 S CB -0.144 62.467 63.200 -0.982 0.000 0.759 465 S HN 0.201 nan 8.310 nan 0.000 0.523 466 I N 1.936 122.396 120.570 -0.184 0.000 2.676 466 I HA 0.031 4.201 4.170 -0.000 0.000 0.259 466 I C 0.936 177.052 176.117 -0.001 0.000 1.194 466 I CA 0.576 61.863 61.300 -0.022 0.000 1.473 466 I CB -1.984 36.051 38.000 0.059 0.000 1.096 466 I HN 0.254 nan 8.210 nan 0.000 0.443 467 T N 2.725 117.218 114.554 -0.102 0.000 2.889 467 T HA 0.168 4.518 4.350 -0.000 0.000 0.291 467 T C -1.433 173.222 174.700 -0.075 0.000 0.995 467 T CA -0.918 61.130 62.100 -0.086 0.000 1.092 467 T CB 2.000 70.781 68.868 -0.145 0.000 0.954 467 T HN -0.051 nan 8.240 nan 0.000 0.506 468 P HA -0.092 nan 4.420 nan 0.000 0.217 468 P C 1.755 179.111 177.300 0.094 0.000 1.150 468 P CA 0.528 63.686 63.100 0.097 0.000 0.832 468 P CB -0.096 31.669 31.700 0.109 0.000 0.787 469 V N -3.015 116.932 119.914 0.054 0.000 2.720 469 V HA -0.218 3.902 4.120 -0.000 0.000 0.256 469 V C 1.989 178.105 176.094 0.036 0.000 1.082 469 V CA 1.380 63.711 62.300 0.052 0.000 1.101 469 V CB -1.844 29.953 31.823 -0.043 0.000 0.693 469 V HN -0.047 nan 8.190 nan 0.000 0.479 470 F N 2.515 122.352 119.950 -0.189 0.000 2.134 470 F HA -0.070 4.457 4.527 -0.000 0.000 0.299 470 F C 2.087 178.070 175.800 0.305 0.000 1.097 470 F CA 2.257 60.245 58.000 -0.020 0.000 1.264 470 F CB -0.418 38.423 39.000 -0.264 0.000 1.001 470 F HN 0.369 nan 8.300 nan 0.000 0.479 471 H N -1.447 117.951 119.070 0.547 0.000 2.555 471 H HA 0.150 4.706 4.556 -0.000 0.000 0.283 471 H C -0.046 175.422 175.328 0.234 0.000 1.037 471 H CA -0.252 56.016 56.048 0.367 0.000 1.169 471 H CB -0.079 29.855 29.762 0.287 0.000 1.375 471 H HN 0.125 nan 8.280 nan 0.000 0.582 472 Q N 1.918 121.920 119.800 0.337 0.000 2.333 472 Q HA 0.176 4.516 4.340 -0.000 0.000 0.265 472 Q C -0.895 175.252 176.000 0.245 0.000 0.989 472 Q CA -0.609 55.340 55.803 0.243 0.000 0.842 472 Q CB 0.886 29.754 28.738 0.216 0.000 1.262 472 Q HN 0.332 nan 8.270 nan 0.000 0.451 473 E N 4.234 124.513 120.200 0.130 0.000 2.354 473 E HA 0.434 4.784 4.350 -0.000 0.000 0.269 473 E C -0.323 176.352 176.600 0.125 0.000 1.036 473 E CA -0.018 56.431 56.400 0.081 0.000 0.876 473 E CB 0.792 30.510 29.700 0.030 0.000 1.009 473 E HN 0.678 nan 8.360 nan 0.000 0.416 474 M N 0.553 120.241 119.600 0.146 0.000 2.465 474 M HA 0.411 4.891 4.480 -0.000 0.000 0.284 474 M C -1.779 174.630 176.300 0.181 0.000 1.212 474 M CA -1.208 54.207 55.300 0.193 0.000 0.910 474 M CB 1.139 33.890 32.600 0.252 0.000 1.725 474 M HN 0.149 nan 8.290 nan 0.000 0.477 475 L N 2.640 124.001 121.223 0.230 0.000 2.289 475 L HA 0.494 4.834 4.340 -0.000 0.000 0.285 475 L C -0.409 176.561 176.870 0.167 0.000 1.049 475 L CA 0.084 55.081 54.840 0.262 0.000 0.804 475 L CB 1.220 43.537 42.059 0.430 0.000 1.195 475 L HN 0.792 nan 8.230 nan 0.000 0.428 476 N N 3.244 122.031 118.700 0.144 0.000 2.609 476 N HA 0.349 5.089 4.740 -0.000 0.000 0.234 476 N C -1.570 173.990 175.510 0.084 0.000 1.001 476 N CA -0.320 52.748 53.050 0.030 0.000 0.926 476 N CB 0.142 38.666 38.487 0.061 0.000 1.130 476 N HN 0.379 nan 8.380 nan 0.000 0.510 477 Y N 0.188 120.512 120.300 0.039 0.000 2.512 477 Y HA 0.656 5.206 4.550 -0.000 0.000 0.348 477 Y C -0.693 175.185 175.900 -0.037 0.000 0.990 477 Y CA -1.476 56.619 58.100 -0.008 0.000 1.033 477 Y CB 0.641 39.093 38.460 -0.013 0.000 1.259 477 Y HN -0.074 nan 8.280 nan 0.000 0.461 478 V N 5.163 125.073 119.914 -0.006 0.000 2.408 478 V HA 0.255 4.375 4.120 -0.000 0.000 0.267 478 V C 0.305 176.301 176.094 -0.164 0.000 1.047 478 V CA -0.276 61.812 62.300 -0.354 0.000 0.937 478 V CB 0.141 31.565 31.823 -0.665 0.000 0.999 478 V HN 0.783 nan 8.190 nan 0.000 0.472 479 L N 3.142 124.328 121.223 -0.061 0.000 2.693 479 L HA 0.739 5.079 4.340 -0.000 0.000 0.253 479 L C 0.265 177.167 176.870 0.055 0.000 1.155 479 L CA -0.521 54.356 54.840 0.062 0.000 1.026 479 L CB 1.613 43.760 42.059 0.147 0.000 1.817 479 L HN 0.611 nan 8.230 nan 0.000 0.556 480 S N 0.111 115.878 115.700 0.112 0.000 2.546 480 S HA 0.518 4.988 4.470 -0.000 0.000 0.272 480 S C -2.733 171.965 174.600 0.163 0.000 1.140 480 S CA -1.143 57.141 58.200 0.140 0.000 0.920 480 S CB 1.921 65.177 63.200 0.094 0.000 1.083 480 S HN 0.273 nan 8.310 nan 0.000 0.476 481 P HA 0.383 nan 4.420 nan 0.000 0.271 481 P C -1.026 176.340 177.300 0.111 0.000 1.244 481 P CA -0.192 62.963 63.100 0.091 0.000 0.793 481 P CB 0.285 31.989 31.700 0.006 0.000 0.984 482 F N -0.606 119.247 119.950 -0.162 0.000 2.688 482 F HA 0.337 4.864 4.527 -0.000 0.000 0.308 482 F C -1.450 174.202 175.800 -0.247 0.000 1.117 482 F CA -0.813 57.042 58.000 -0.243 0.000 0.976 482 F CB 1.213 40.108 39.000 -0.175 0.000 1.291 482 F HN 0.100 nan 8.300 nan 0.000 0.439 483 Y N 5.007 125.001 120.300 -0.510 0.000 2.594 483 Y HA 0.365 4.915 4.550 -0.000 0.000 0.342 483 Y C -0.717 175.047 175.900 -0.227 0.000 1.010 483 Y CA -0.697 57.230 58.100 -0.288 0.000 1.270 483 Y CB -0.263 37.932 38.460 -0.441 0.000 1.125 483 Y HN 0.338 nan 8.280 nan 0.000 0.513 484 Y N 0.871 121.315 120.300 0.241 0.000 2.326 484 Y HA 0.237 4.787 4.550 -0.000 0.000 0.324 484 Y C 0.259 176.258 175.900 0.164 0.000 1.291 484 Y CA -0.794 57.493 58.100 0.313 0.000 1.348 484 Y CB 0.501 39.136 38.460 0.292 0.000 1.294 484 Y HN 0.424 nan 8.280 nan 0.000 0.525 485 Y N 0.687 121.137 120.300 0.250 0.000 2.282 485 Y HA 0.327 4.877 4.550 -0.000 0.000 0.335 485 Y C -0.098 175.875 175.900 0.122 0.000 1.335 485 Y CA -0.428 57.745 58.100 0.121 0.000 1.529 485 Y CB 0.688 39.184 38.460 0.060 0.000 1.429 485 Y HN 0.456 nan 8.280 nan 0.000 0.563 486 Q N -0.473 119.463 119.800 0.227 0.000 2.479 486 Q HA 0.443 4.783 4.340 -0.000 0.000 0.276 486 Q C -1.716 174.282 176.000 -0.003 0.000 0.989 486 Q CA -0.866 54.994 55.803 0.095 0.000 0.864 486 Q CB 1.385 30.158 28.738 0.058 0.000 1.444 486 Q HN 0.570 nan 8.270 nan 0.000 0.388 487 I N 2.049 122.585 120.570 -0.055 0.000 2.821 487 I HA -0.092 4.078 4.170 -0.000 0.000 0.294 487 I C 0.369 176.308 176.117 -0.297 0.000 1.210 487 I CA 0.457 61.669 61.300 -0.147 0.000 1.430 487 I CB 0.171 38.093 38.000 -0.130 0.000 1.356 487 I HN 0.575 nan 8.210 nan 0.000 0.563 488 E N 9.442 129.364 120.200 -0.464 0.000 2.614 488 E HA -0.071 4.279 4.350 -0.000 0.000 0.245 488 E C -1.259 174.756 176.600 -0.975 0.000 1.039 488 E CA -0.960 54.888 56.400 -0.920 0.000 0.948 488 E CB 0.093 28.914 29.700 -1.464 0.000 0.937 488 E HN 0.471 nan 8.360 nan 0.000 0.498 489 P HA -0.223 nan 4.420 nan 0.000 0.218 489 P C 0.888 177.701 177.300 -0.811 0.000 1.150 489 P CA 1.623 64.222 63.100 -0.834 0.000 0.841 489 P CB -0.199 30.773 31.700 -1.213 0.000 0.784 490 W N 0.470 121.272 121.300 -0.830 0.000 2.825 490 W HA 0.179 4.839 4.660 -0.000 0.000 0.243 490 W C 1.674 178.205 176.519 0.020 0.000 1.293 490 W CA 0.233 57.396 57.345 -0.303 0.000 1.403 490 W CB -1.092 28.384 29.460 0.028 0.000 1.134 490 W HN -0.101 nan 8.180 nan 0.000 0.666 491 K N 0.521 120.780 120.400 -0.236 0.000 2.166 491 K HA 0.033 4.353 4.320 -0.000 0.000 0.201 491 K C 0.920 177.523 176.600 0.004 0.000 1.052 491 K CA 1.429 57.660 56.287 -0.093 0.000 0.969 491 K CB -0.159 32.202 32.500 -0.231 0.000 0.761 491 K HN 0.126 nan 8.250 nan 0.000 0.459 492 T N -0.741 113.792 114.554 -0.036 0.000 3.326 492 T HA 0.232 4.582 4.350 -0.000 0.000 0.274 492 T C -0.884 173.905 174.700 0.148 0.000 1.608 492 T CA -0.701 61.419 62.100 0.033 0.000 1.433 492 T CB -0.157 68.694 68.868 -0.027 0.000 1.034 492 T HN 0.049 nan 8.240 nan 0.000 0.694 493 H N 0.559 119.706 119.070 0.128 0.000 2.806 493 H HA 0.603 5.159 4.556 -0.000 0.000 0.367 493 H C -0.668 174.781 175.328 0.202 0.000 1.136 493 H CA -1.180 54.966 56.048 0.163 0.000 1.178 493 H CB 1.220 31.134 29.762 0.253 0.000 1.718 493 H HN 0.389 nan 8.280 nan 0.000 0.540 494 I N 3.180 123.311 120.570 -0.732 0.000 2.588 494 I HA -0.001 4.169 4.170 -0.000 0.000 0.283 494 I C -0.426 175.360 176.117 -0.552 0.000 1.119 494 I CA 0.354 61.372 61.300 -0.469 0.000 1.419 494 I CB 0.573 38.311 38.000 -0.437 0.000 1.394 494 I HN 0.486 nan 8.210 nan 0.000 0.562 495 W N 6.561 127.793 121.300 -0.114 0.000 2.453 495 W HA 0.318 4.978 4.660 -0.000 0.000 0.298 495 W C 0.044 176.552 176.519 -0.018 0.000 0.983 495 W CA -0.549 56.783 57.345 -0.022 0.000 1.600 495 W CB 0.695 30.176 29.460 0.034 0.000 1.430 495 W HN 0.451 nan 8.180 nan 0.000 0.422 496 Q N 0.000 119.824 119.800 0.041 0.000 2.315 496 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 496 Q CA 0.000 55.829 55.803 0.044 0.000 1.022 496 Q CB 0.000 28.727 28.738 -0.018 0.000 1.108 496 Q HN 0.000 nan 8.270 nan 0.000 0.481