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 3nqs_1_B DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATXXXXXXX XXCLGSIMNP 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 N 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 0.000 176.194 176.000 0.323 0.000 1.003 77 Q CA 0.000 55.857 55.803 0.091 0.000 1.022 77 Q CB 0.000 28.744 28.738 0.009 0.000 1.108 78 Y N -2.558 117.842 120.300 0.167 0.000 2.625 78 Y HA 0.874 5.424 4.550 0.000 0.000 0.338 78 Y C -0.838 175.088 175.900 0.043 0.000 1.123 78 Y CA -1.701 56.501 58.100 0.170 0.000 1.046 78 Y CB 1.028 39.537 38.460 0.081 0.000 1.299 78 Y HN 0.736 nan 8.280 nan 0.000 0.464 79 V N 2.820 122.882 119.914 0.247 0.000 2.435 79 V HA 0.488 4.608 4.120 0.000 0.000 0.290 79 V C -0.112 176.147 176.094 0.275 0.000 1.030 79 V CA -0.901 61.437 62.300 0.063 0.000 0.881 79 V CB 1.374 33.075 31.823 -0.204 0.000 0.983 79 V HN 0.812 nan 8.190 nan 0.000 0.445 80 R N 4.575 125.210 120.500 0.226 0.000 2.298 80 R HA 0.434 4.774 4.340 0.000 0.000 0.310 80 R C -1.079 175.315 176.300 0.157 0.000 1.068 80 R CA -0.337 55.925 56.100 0.269 0.000 0.957 80 R CB 0.421 30.851 30.300 0.216 0.000 1.003 80 R HN 0.510 nan 8.270 nan 0.000 0.454 81 I N 4.338 124.985 120.570 0.128 0.000 2.433 81 I HA 0.325 4.495 4.170 0.000 0.000 0.292 81 I C -0.319 175.789 176.117 -0.014 0.000 1.001 81 I CA -0.563 60.772 61.300 0.057 0.000 1.119 81 I CB 1.716 39.731 38.000 0.024 0.000 1.289 81 I HN 0.638 nan 8.210 nan 0.000 0.438 82 K N 5.160 125.557 120.400 -0.004 0.000 2.316 82 K HA 0.355 4.675 4.320 0.000 0.000 0.251 82 K C -0.675 175.881 176.600 -0.073 0.000 0.934 82 K CA -0.611 55.593 56.287 -0.138 0.000 0.802 82 K CB 1.781 34.068 32.500 -0.354 0.000 1.171 82 K HN 0.527 nan 8.250 nan 0.000 0.426 83 N N 4.195 122.828 118.700 -0.112 0.000 2.485 83 N HA 0.093 4.833 4.740 0.000 0.000 0.243 83 N C -0.381 175.127 175.510 -0.004 0.000 0.987 83 N CA -0.347 52.734 53.050 0.052 0.000 0.940 83 N CB 0.408 38.922 38.487 0.045 0.000 1.122 83 N HN 0.645 nan 8.380 nan 0.000 0.509 84 W N 2.426 123.803 121.300 0.129 0.000 2.961 84 W HA 0.200 4.860 4.660 0.000 0.000 0.240 84 W C 1.869 178.447 176.519 0.099 0.000 1.305 84 W CA -0.042 57.374 57.345 0.120 0.000 1.465 84 W CB 0.170 29.720 29.460 0.148 0.000 1.135 84 W HN 0.646 nan 8.180 nan 0.000 0.688 85 G N -0.905 108.028 108.800 0.222 0.000 2.641 85 G HA2 -0.102 3.858 3.960 0.000 0.000 0.207 85 G HA3 -0.102 3.858 3.960 0.000 0.000 0.207 85 G C 1.453 176.363 174.900 0.016 0.000 1.137 85 G CA 0.818 45.947 45.100 0.049 0.000 0.824 85 G HN 0.226 nan 8.290 nan 0.000 0.547 86 S N -1.023 114.686 115.700 0.015 0.000 2.523 86 S HA 0.386 4.856 4.470 0.000 0.000 0.217 86 S C 1.883 176.451 174.600 -0.053 0.000 0.996 86 S CA 1.064 59.253 58.200 -0.018 0.000 0.921 86 S CB 0.413 63.605 63.200 -0.014 0.000 0.829 86 S HN 1.481 nan 8.310 nan 0.000 0.495 87 G N 1.425 110.171 108.800 -0.090 0.000 2.184 87 G HA2 -0.345 3.615 3.960 0.000 0.000 0.264 87 G HA3 -0.345 3.615 3.960 0.000 0.000 0.264 87 G C -0.105 174.695 174.900 -0.167 0.000 0.975 87 G CA 0.463 45.466 45.100 -0.162 0.000 0.642 87 G HN 0.737 nan 8.290 nan 0.000 0.536 88 E N 0.583 120.707 120.200 -0.127 0.000 2.413 88 E HA 0.338 4.688 4.350 0.000 0.000 0.263 88 E C 0.336 176.838 176.600 -0.163 0.000 1.015 88 E CA -0.308 56.014 56.400 -0.130 0.000 0.916 88 E CB 0.181 29.818 29.700 -0.105 0.000 0.947 88 E HN 0.215 nan 8.360 nan 0.000 0.440 89 I N 5.060 125.525 120.570 -0.175 0.000 2.562 89 I HA 0.396 4.566 4.170 0.000 0.000 0.301 89 I C -0.032 175.922 176.117 -0.271 0.000 1.003 89 I CA -0.664 60.526 61.300 -0.184 0.000 1.127 89 I CB 1.175 39.094 38.000 -0.135 0.000 1.304 89 I HN 0.563 nan 8.210 nan 0.000 0.446 90 L N 4.550 125.616 121.223 -0.261 0.000 2.409 90 L HA 0.436 4.776 4.340 0.000 0.000 0.262 90 L C -1.123 175.697 176.870 -0.083 0.000 0.992 90 L CA -0.825 53.800 54.840 -0.358 0.000 0.817 90 L CB 2.546 44.210 42.059 -0.657 0.000 1.350 90 L HN 0.449 nan 8.230 nan 0.000 0.411 91 H N 1.224 120.243 119.070 -0.085 0.000 2.551 91 H HA 0.267 4.823 4.556 0.000 0.000 0.321 91 H C -1.035 174.440 175.328 0.244 0.000 1.028 91 H CA -0.796 55.219 56.048 -0.056 0.000 1.215 91 H CB 1.552 30.992 29.762 -0.536 0.000 1.414 91 H HN 0.397 nan 8.280 nan 0.000 0.480 92 D N 2.211 122.897 120.400 0.477 0.000 2.313 92 D HA 0.074 4.714 4.640 0.000 0.000 0.239 92 D C 0.695 177.238 176.300 0.405 0.000 1.142 92 D CA -0.080 54.188 54.000 0.447 0.000 0.847 92 D CB 1.220 42.263 40.800 0.404 0.000 1.082 92 D HN 0.657 nan 8.370 nan 0.000 0.480 93 T N 1.049 115.776 114.554 0.289 0.000 2.978 93 T HA -0.047 4.303 4.350 0.000 0.000 0.248 93 T C 1.910 176.636 174.700 0.044 0.000 1.018 93 T CA -0.244 62.004 62.100 0.246 0.000 1.026 93 T CB 0.009 69.008 68.868 0.218 0.000 1.032 93 T HN 0.246 nan 8.240 nan 0.000 0.485 94 L N 3.292 124.525 121.223 0.016 0.000 2.187 94 L HA -0.137 4.204 4.340 0.000 0.000 0.213 94 L C 2.558 179.262 176.870 -0.277 0.000 1.100 94 L CA 1.906 56.713 54.840 -0.056 0.000 0.765 94 L CB -0.920 41.149 42.059 0.016 0.000 0.904 94 L HN 0.594 nan 8.230 nan 0.000 0.437 95 H N -2.573 116.109 119.070 -0.647 0.000 2.518 95 H HA -0.191 4.365 4.556 0.000 0.000 0.292 95 H C 1.676 176.640 175.328 -0.607 0.000 1.068 95 H CA 1.870 57.200 56.048 -1.197 0.000 1.275 95 H CB -0.954 28.159 29.762 -1.081 0.000 1.375 95 H HN 0.573 nan 8.280 nan 0.000 0.563 96 H N 0.825 119.405 119.070 -0.816 0.000 2.462 96 H HA 0.046 4.602 4.556 0.000 0.000 0.292 96 H C 1.679 176.850 175.328 -0.263 0.000 1.049 96 H CA 0.796 56.531 56.048 -0.521 0.000 1.334 96 H CB 0.422 29.930 29.762 -0.422 0.000 1.404 96 H HN 0.160 nan 8.280 nan 0.000 0.544 97 K N 0.868 121.204 120.400 -0.108 0.000 2.525 97 K HA 0.172 4.492 4.320 0.000 0.000 0.192 97 K C 0.678 177.266 176.600 -0.020 0.000 1.029 97 K CA 0.126 56.393 56.287 -0.034 0.000 1.029 97 K CB 0.126 32.623 32.500 -0.004 0.000 0.814 97 K HN 0.185 nan 8.250 nan 0.000 0.503 98 A N 1.970 124.748 122.820 -0.070 0.000 2.448 98 A HA 0.125 4.445 4.320 0.000 0.000 0.239 98 A C 0.933 178.514 177.584 -0.004 0.000 1.080 98 A CA -0.026 52.002 52.037 -0.015 0.000 0.779 98 A CB -0.008 18.966 19.000 -0.042 0.000 1.026 98 A HN 0.383 nan 8.150 nan 0.000 0.499 110 L N 2.884 124.127 121.223 0.034 0.000 2.796 110 L HA 0.478 4.818 4.340 0.000 0.000 0.235 110 L C 1.619 178.524 176.870 0.059 0.000 1.344 110 L CA 1.259 56.127 54.840 0.046 0.000 1.245 110 L CB -0.237 41.852 42.059 0.048 0.000 1.556 110 L HN 1.096 nan 8.230 nan 0.000 0.423 111 G N -0.177 108.656 108.800 0.055 0.000 2.394 111 G HA2 -0.190 3.770 3.960 0.000 0.000 0.215 111 G HA3 -0.190 3.770 3.960 0.000 0.000 0.215 111 G C 1.376 176.341 174.900 0.109 0.000 1.165 111 G CA 0.852 45.994 45.100 0.070 0.000 0.784 111 G HN 0.546 nan 8.290 nan 0.000 0.535 112 S N 0.275 116.038 115.700 0.104 0.000 2.660 112 S HA 0.345 4.815 4.470 0.000 0.000 0.227 112 S C 0.541 175.228 174.600 0.145 0.000 0.948 112 S CA -0.579 57.703 58.200 0.137 0.000 0.948 112 S CB -0.136 63.127 63.200 0.105 0.000 0.779 112 S HN 0.024 nan 8.310 nan 0.000 0.487 113 I N 2.601 123.251 120.570 0.132 0.000 2.416 113 I HA 0.190 4.360 4.170 0.000 0.000 0.288 113 I C 1.601 177.824 176.117 0.177 0.000 1.051 113 I CA -0.319 61.058 61.300 0.127 0.000 1.375 113 I CB 0.285 38.344 38.000 0.097 0.000 1.407 113 I HN 0.263 nan 8.210 nan 0.000 0.516 114 M N 4.610 124.318 119.600 0.180 0.000 2.059 114 M HA -0.110 4.370 4.480 0.000 0.000 0.259 114 M C 0.446 176.843 176.300 0.163 0.000 1.072 114 M CA 1.681 57.122 55.300 0.235 0.000 1.117 114 M CB -0.420 32.285 32.600 0.174 0.000 1.320 114 M HN 0.490 nan 8.290 nan 0.000 0.408 115 N N 1.135 119.878 118.700 0.073 0.000 2.918 115 N HA 0.309 5.049 4.740 0.000 0.000 0.270 115 N C -2.416 173.157 175.510 0.105 0.000 1.536 115 N CA -0.761 52.310 53.050 0.035 0.000 0.877 115 N CB 0.731 39.144 38.487 -0.122 0.000 1.190 115 N HN 0.262 nan 8.380 nan 0.000 0.492 116 P HA 0.217 nan 4.420 nan 0.000 0.276 116 P C 0.586 177.964 177.300 0.130 0.000 1.244 116 P CA -0.344 62.826 63.100 0.116 0.000 0.801 116 P CB 2.011 33.776 31.700 0.107 0.000 1.006 117 K N 0.444 120.899 120.400 0.091 0.000 2.147 117 K HA -0.105 4.215 4.320 0.000 0.000 0.205 117 K C 2.068 178.726 176.600 0.097 0.000 1.049 117 K CA 1.912 58.247 56.287 0.081 0.000 0.936 117 K CB -0.389 32.139 32.500 0.047 0.000 0.722 117 K HN 0.551 nan 8.250 nan 0.000 0.446 118 S N 0.878 116.633 115.700 0.092 0.000 2.442 118 S HA -0.081 4.389 4.470 0.000 0.000 0.236 118 S C 1.609 176.300 174.600 0.151 0.000 1.007 118 S CA 0.848 59.100 58.200 0.087 0.000 0.965 118 S CB -0.224 63.006 63.200 0.050 0.000 0.773 118 S HN 0.235 nan 8.310 nan 0.000 0.504 119 L N 1.023 122.368 121.223 0.202 0.000 2.728 119 L HA 0.298 4.638 4.340 0.000 0.000 0.238 119 L C -0.159 176.975 176.870 0.441 0.000 1.143 119 L CA -0.077 54.925 54.840 0.270 0.000 0.937 119 L CB 0.234 42.383 42.059 0.150 0.000 1.225 119 L HN 0.190 nan 8.230 nan 0.000 0.507 120 T N -0.007 114.760 114.554 0.355 0.000 2.829 120 T HA 0.448 4.798 4.350 0.000 0.000 0.280 120 T C -0.465 174.274 174.700 0.065 0.000 0.999 120 T CA -0.463 61.799 62.100 0.270 0.000 0.983 120 T CB 2.310 71.287 68.868 0.182 0.000 0.968 120 T HN -0.083 nan 8.240 nan 0.000 0.446 121 R N 1.951 122.444 120.500 -0.011 0.000 2.358 121 R HA 0.588 4.928 4.340 0.000 0.000 0.309 121 R C 0.470 176.723 176.300 -0.078 0.000 1.026 121 R CA -0.422 55.557 56.100 -0.202 0.000 0.909 121 R CB 0.195 30.235 30.300 -0.433 0.000 1.153 121 R HN 0.827 nan 8.270 nan 0.000 0.515 122 G N 3.514 112.271 108.800 -0.072 0.000 2.611 122 G HA2 0.301 4.261 3.960 0.000 0.000 0.273 122 G HA3 0.301 4.261 3.960 0.000 0.000 0.273 122 G C -1.965 172.902 174.900 -0.056 0.000 1.305 122 G CA -0.859 44.207 45.100 -0.056 0.000 1.010 122 G HN 0.590 nan 8.290 nan 0.000 0.509 123 P HA 0.371 nan 4.420 nan 0.000 0.275 123 P C -0.661 176.616 177.300 -0.038 0.000 1.266 123 P CA -0.285 62.787 63.100 -0.046 0.000 0.793 123 P CB 1.238 32.905 31.700 -0.055 0.000 1.074 124 R N -0.475 120.007 120.500 -0.030 0.000 2.817 124 R HA 0.320 4.660 4.340 0.000 0.000 0.268 124 R C -0.335 175.954 176.300 -0.019 0.000 1.027 124 R CA -0.510 55.577 56.100 -0.022 0.000 0.928 124 R CB 1.263 31.553 30.300 -0.017 0.000 1.228 124 R HN 0.438 nan 8.270 nan 0.000 0.469 125 D N -0.588 119.804 120.400 -0.014 0.000 2.525 125 D HA 0.150 4.790 4.640 0.000 0.000 0.231 125 D C -0.403 175.898 176.300 0.000 0.000 1.216 125 D CA -0.040 53.953 54.000 -0.013 0.000 0.813 125 D CB 0.693 41.483 40.800 -0.018 0.000 1.108 125 D HN 0.193 nan 8.370 nan 0.000 0.524 126 K N 0.269 120.672 120.400 0.004 0.000 2.508 126 K HA 0.543 4.863 4.320 0.000 0.000 0.260 126 K C -2.955 173.653 176.600 0.013 0.000 0.949 126 K CA -1.942 54.352 56.287 0.012 0.000 0.834 126 K CB 2.543 35.047 32.500 0.007 0.000 1.365 126 K HN -0.210 nan 8.250 nan 0.000 0.437 127 P HA 0.017 nan 4.420 nan 0.000 0.270 127 P C -0.758 176.551 177.300 0.015 0.000 1.223 127 P CA -0.157 62.953 63.100 0.018 0.000 0.785 127 P CB 0.370 32.084 31.700 0.023 0.000 0.923 128 T N 4.092 118.656 114.554 0.016 0.000 2.829 128 T HA 0.113 4.463 4.350 0.000 0.000 0.293 128 T C -2.032 172.683 174.700 0.026 0.000 0.970 128 T CA -0.467 61.647 62.100 0.022 0.000 1.168 128 T CB -0.704 68.185 68.868 0.035 0.000 0.911 128 T HN 0.308 nan 8.240 nan 0.000 0.535 129 P HA -0.004 nan 4.420 nan 0.000 0.264 129 P C 1.181 178.486 177.300 0.009 0.000 1.183 129 P CA -0.428 62.678 63.100 0.010 0.000 0.763 129 P CB 0.425 32.126 31.700 0.002 0.000 0.807 130 L N 4.703 125.929 121.223 0.006 0.000 1.990 130 L HA -0.220 4.120 4.340 0.000 0.000 0.213 130 L C 1.940 178.798 176.870 -0.020 0.000 1.072 130 L CA 2.485 57.326 54.840 0.000 0.000 0.755 130 L CB -1.222 40.836 42.059 -0.002 0.000 0.889 130 L HN 0.575 nan 8.230 nan 0.000 0.432 131 E N -0.871 119.313 120.200 -0.026 0.000 2.209 131 E HA -0.295 4.055 4.350 0.000 0.000 0.196 131 E C 1.914 178.467 176.600 -0.077 0.000 0.993 131 E CA 1.721 58.094 56.400 -0.045 0.000 0.819 131 E CB -0.334 29.344 29.700 -0.036 0.000 0.745 131 E HN 0.718 nan 8.360 nan 0.000 0.477 132 E N 0.156 120.316 120.200 -0.067 0.000 2.075 132 E HA -0.090 4.260 4.350 0.000 0.000 0.190 132 E C 2.085 178.602 176.600 -0.138 0.000 0.969 132 E CA 0.307 56.640 56.400 -0.112 0.000 0.815 132 E CB 0.043 29.727 29.700 -0.026 0.000 0.776 132 E HN 0.277 nan 8.360 nan 0.000 0.457 133 L N 1.176 122.393 121.223 -0.011 0.000 1.994 133 L HA -0.126 4.215 4.340 0.000 0.000 0.208 133 L C 2.296 179.185 176.870 0.032 0.000 1.071 133 L CA 1.387 56.270 54.840 0.071 0.000 0.745 133 L CB -0.818 41.301 42.059 0.099 0.000 0.892 133 L HN 0.267 nan 8.230 nan 0.000 0.431 134 L N 0.212 121.419 121.223 -0.027 0.000 2.021 134 L HA -0.157 4.183 4.340 0.000 0.000 0.215 134 L C -0.467 176.369 176.870 -0.055 0.000 1.074 134 L CA 2.320 57.125 54.840 -0.058 0.000 0.760 134 L CB -1.863 40.162 42.059 -0.058 0.000 0.889 134 L HN 0.209 nan 8.230 nan 0.000 0.433 135 P HA -0.125 nan 4.420 nan 0.000 0.217 135 P C 1.252 178.558 177.300 0.010 0.000 1.150 135 P CA 1.423 64.472 63.100 -0.084 0.000 0.832 135 P CB -0.161 31.434 31.700 -0.175 0.000 0.787 136 H N -0.518 118.586 119.070 0.058 0.000 2.357 136 H HA 0.044 4.600 4.556 0.000 0.000 0.301 136 H C 1.986 177.405 175.328 0.153 0.000 1.082 136 H CA 1.450 57.559 56.048 0.101 0.000 1.342 136 H CB -1.076 28.745 29.762 0.099 0.000 1.389 136 H HN 0.031 nan 8.280 nan 0.000 0.511 137 A N 1.026 123.985 122.820 0.231 0.000 1.877 137 A HA -0.124 4.196 4.320 0.000 0.000 0.216 137 A C 2.669 180.339 177.584 0.143 0.000 1.186 137 A CA 1.446 53.571 52.037 0.146 0.000 0.620 137 A CB -0.843 17.981 19.000 -0.292 0.000 0.822 137 A HN 0.315 nan 8.150 nan 0.000 0.443 138 I N -0.728 119.886 120.570 0.073 0.000 2.286 138 I HA -0.210 3.960 4.170 0.000 0.000 0.248 138 I C 2.635 178.830 176.117 0.130 0.000 1.115 138 I CA 1.401 62.745 61.300 0.074 0.000 1.392 138 I CB -0.279 37.737 38.000 0.028 0.000 1.065 138 I HN 0.370 nan 8.210 nan 0.000 0.418 139 E N 1.004 121.301 120.200 0.163 0.000 2.051 139 E HA -0.259 4.091 4.350 0.000 0.000 0.192 139 E C 2.119 178.844 176.600 0.208 0.000 0.991 139 E CA 1.544 58.048 56.400 0.173 0.000 0.799 139 E CB -0.216 29.603 29.700 0.200 0.000 0.748 139 E HN 0.428 nan 8.360 nan 0.000 0.449 140 F N 1.454 121.496 119.950 0.154 0.000 2.102 140 F HA -0.184 4.343 4.527 0.000 0.000 0.298 140 F C 2.125 178.026 175.800 0.170 0.000 1.105 140 F CA 1.006 59.115 58.000 0.181 0.000 1.239 140 F CB -0.296 38.830 39.000 0.211 0.000 0.991 140 F HN -0.038 nan 8.300 nan 0.000 0.474 141 I N 1.000 121.548 120.570 -0.037 0.000 2.208 141 I HA -0.321 3.849 4.170 0.000 0.000 0.245 141 I C 2.010 178.078 176.117 -0.082 0.000 1.097 141 I CA 1.278 62.534 61.300 -0.073 0.000 1.363 141 I CB -1.626 36.468 38.000 0.157 0.000 1.051 141 I HN 0.253 nan 8.210 nan 0.000 0.413 142 N N 0.687 119.394 118.700 0.010 0.000 2.142 142 N HA -0.221 4.519 4.740 0.000 0.000 0.186 142 N C 1.858 177.255 175.510 -0.188 0.000 1.023 142 N CA 1.043 54.088 53.050 -0.008 0.000 0.852 142 N CB -0.370 38.188 38.487 0.119 0.000 0.998 142 N HN 0.513 nan 8.380 nan 0.000 0.424 143 Q N -0.369 119.342 119.800 -0.148 0.000 2.084 143 Q HA -0.177 4.163 4.340 0.000 0.000 0.202 143 Q C 2.013 177.773 176.000 -0.399 0.000 0.978 143 Q CA 1.154 56.882 55.803 -0.125 0.000 0.844 143 Q CB -0.164 28.629 28.738 0.091 0.000 0.898 143 Q HN 0.481 nan 8.270 nan 0.000 0.426 144 Y N -0.334 119.440 120.300 -0.876 0.000 2.089 144 Y HA -0.310 4.240 4.550 0.000 0.000 0.282 144 Y C 1.602 176.581 175.900 -1.535 0.000 1.139 144 Y CA 2.046 59.242 58.100 -1.507 0.000 1.123 144 Y CB -0.384 37.202 38.460 -1.457 0.000 0.980 144 Y HN 0.173 nan 8.280 nan 0.000 0.493 145 Y N 0.041 119.574 120.300 -1.279 0.000 2.421 145 Y HA -0.033 4.517 4.550 0.000 0.000 0.292 145 Y C 2.539 177.774 175.900 -1.108 0.000 1.136 145 Y CA 1.166 58.354 58.100 -1.520 0.000 1.255 145 Y CB -0.781 36.962 38.460 -1.195 0.000 0.991 145 Y HN 0.269 nan 8.280 nan 0.000 0.552 146 G N -1.301 107.108 108.800 -0.650 0.000 2.572 146 G HA2 -0.180 3.780 3.960 0.000 0.000 0.216 146 G HA3 -0.180 3.780 3.960 0.000 0.000 0.216 146 G C 1.691 176.410 174.900 -0.302 0.000 1.133 146 G CA 0.926 45.820 45.100 -0.344 0.000 0.791 146 G HN 0.457 nan 8.290 nan 0.000 0.538 147 S N -0.227 115.182 115.700 -0.486 0.000 2.527 147 S HA 0.251 4.722 4.470 0.000 0.000 0.222 147 S C 0.760 175.312 174.600 -0.080 0.000 0.985 147 S CA -0.665 57.395 58.200 -0.235 0.000 0.921 147 S CB -0.384 62.712 63.200 -0.173 0.000 0.772 147 S HN 0.224 nan 8.310 nan 0.000 0.529 148 F N 2.477 122.258 119.950 -0.282 0.000 2.538 148 F HA 0.196 4.723 4.527 0.000 0.000 0.371 148 F C 1.772 177.508 175.800 -0.107 0.000 1.087 148 F CA -0.646 57.228 58.000 -0.210 0.000 1.250 148 F CB 0.673 39.542 39.000 -0.217 0.000 1.110 148 F HN 0.130 nan 8.300 nan 0.000 0.570 149 K N 1.453 121.920 120.400 0.111 0.000 2.155 149 K HA -0.084 4.236 4.320 0.000 0.000 0.203 149 K C 0.134 176.761 176.600 0.045 0.000 1.052 149 K CA 1.046 57.365 56.287 0.053 0.000 0.948 149 K CB 0.243 32.757 32.500 0.023 0.000 0.728 149 K HN 0.481 nan 8.250 nan 0.000 0.448 150 E N 1.257 121.480 120.200 0.039 0.000 2.173 150 E HA 0.190 4.540 4.350 0.000 0.000 0.249 150 E C -1.152 175.499 176.600 0.084 0.000 0.923 150 E CA -0.296 56.120 56.400 0.026 0.000 0.754 150 E CB 1.294 30.980 29.700 -0.024 0.000 1.177 150 E HN 0.294 nan 8.360 nan 0.000 0.430 151 A N 3.583 126.466 122.820 0.105 0.000 2.567 151 A HA -0.020 4.300 4.320 0.000 0.000 0.240 151 A C 0.351 178.026 177.584 0.153 0.000 1.053 151 A CA 0.457 52.584 52.037 0.150 0.000 0.755 151 A CB 0.123 19.179 19.000 0.093 0.000 0.978 151 A HN 0.391 nan 8.150 nan 0.000 0.507 152 K N 3.849 124.398 120.400 0.248 0.000 2.602 152 K HA 0.226 4.546 4.320 0.000 0.000 0.201 152 K C 0.488 177.172 176.600 0.141 0.000 1.070 152 K CA -0.615 55.791 56.287 0.199 0.000 1.026 152 K CB 0.482 33.150 32.500 0.280 0.000 1.534 152 K HN 0.655 nan 8.250 nan 0.000 0.560 153 I N 1.259 121.878 120.570 0.083 0.000 2.145 153 I HA -0.339 3.832 4.170 0.000 0.000 0.244 153 I C 1.874 177.972 176.117 -0.032 0.000 1.075 153 I CA 1.867 63.185 61.300 0.029 0.000 1.332 153 I CB -0.560 37.443 38.000 0.005 0.000 1.033 153 I HN 0.569 nan 8.210 nan 0.000 0.410 154 E N 0.611 120.801 120.200 -0.018 0.000 2.058 154 E HA -0.236 4.114 4.350 0.000 0.000 0.194 154 E C 2.093 178.659 176.600 -0.057 0.000 0.997 154 E CA 1.354 57.733 56.400 -0.035 0.000 0.801 154 E CB -0.170 29.525 29.700 -0.009 0.000 0.746 154 E HN 0.584 nan 8.360 nan 0.000 0.450 155 E N -0.205 119.977 120.200 -0.031 0.000 2.106 155 E HA -0.199 4.151 4.350 0.000 0.000 0.192 155 E C 2.058 178.436 176.600 -0.369 0.000 0.984 155 E CA 0.756 57.129 56.400 -0.045 0.000 0.806 155 E CB -0.182 29.618 29.700 0.167 0.000 0.750 155 E HN 0.424 nan 8.360 nan 0.000 0.458 156 H N 0.873 119.475 119.070 -0.779 0.000 2.293 156 H HA -0.105 4.451 4.556 0.000 0.000 0.300 156 H C 2.242 177.253 175.328 -0.529 0.000 1.082 156 H CA 1.150 56.487 56.048 -1.185 0.000 1.308 156 H CB 0.071 29.419 29.762 -0.691 0.000 1.375 156 H HN 0.065 nan 8.280 nan 0.000 0.495 157 L N 0.357 121.402 121.223 -0.297 0.000 2.042 157 L HA -0.183 4.158 4.340 0.000 0.000 0.210 157 L C 3.080 179.865 176.870 -0.141 0.000 1.076 157 L CA 0.940 55.632 54.840 -0.247 0.000 0.749 157 L CB -0.628 41.316 42.059 -0.191 0.000 0.893 157 L HN 0.407 nan 8.230 nan 0.000 0.432 158 A N 0.238 122.993 122.820 -0.108 0.000 1.877 158 A HA -0.262 4.058 4.320 0.000 0.000 0.216 158 A C 2.372 179.946 177.584 -0.017 0.000 1.186 158 A CA 1.970 53.979 52.037 -0.047 0.000 0.620 158 A CB -0.506 18.483 19.000 -0.019 0.000 0.822 158 A HN 0.280 nan 8.150 nan 0.000 0.443 159 R N -0.043 120.448 120.500 -0.014 0.000 2.081 159 R HA 0.004 4.344 4.340 0.000 0.000 0.235 159 R C 1.928 178.263 176.300 0.059 0.000 1.131 159 R CA 1.537 57.685 56.100 0.079 0.000 0.960 159 R CB -0.900 29.533 30.300 0.222 0.000 0.856 159 R HN 0.526 nan 8.270 nan 0.000 0.436 160 L N 0.172 121.405 121.223 0.018 0.000 2.012 160 L HA -0.207 4.133 4.340 0.000 0.000 0.210 160 L C 2.569 179.424 176.870 -0.025 0.000 1.073 160 L CA 2.148 56.988 54.840 0.001 0.000 0.748 160 L CB -0.546 41.477 42.059 -0.061 0.000 0.891 160 L HN 0.410 nan 8.230 nan 0.000 0.431 161 E N 0.000 120.179 120.200 -0.035 0.000 2.051 161 E HA -0.242 4.108 4.350 0.000 0.000 0.192 161 E C 2.201 178.793 176.600 -0.014 0.000 0.991 161 E CA 1.178 57.560 56.400 -0.031 0.000 0.799 161 E CB -0.031 29.649 29.700 -0.033 0.000 0.748 161 E HN 0.447 nan 8.360 nan 0.000 0.449 162 A N 0.538 123.361 122.820 0.005 0.000 1.883 162 A HA -0.163 4.157 4.320 0.000 0.000 0.217 162 A C 2.432 180.029 177.584 0.022 0.000 1.186 162 A CA 1.661 53.712 52.037 0.025 0.000 0.624 162 A CB -0.808 18.222 19.000 0.050 0.000 0.822 162 A HN 0.244 nan 8.150 nan 0.000 0.444 163 V N -0.308 119.611 119.914 0.008 0.000 2.343 163 V HA -0.219 3.901 4.120 0.000 0.000 0.247 163 V C 2.744 178.768 176.094 -0.117 0.000 1.051 163 V CA 2.427 64.690 62.300 -0.063 0.000 1.036 163 V CB -1.218 30.523 31.823 -0.137 0.000 0.654 163 V HN 0.624 nan 8.190 nan 0.000 0.451 164 T N -0.330 114.175 114.554 -0.082 0.000 2.684 164 T HA -0.234 4.116 4.350 0.000 0.000 0.267 164 T C 1.959 176.633 174.700 -0.043 0.000 1.036 164 T CA 1.684 63.741 62.100 -0.073 0.000 1.148 164 T CB -0.211 68.626 68.868 -0.053 0.000 0.863 164 T HN 0.459 nan 8.240 nan 0.000 0.436 165 K N 0.659 121.046 120.400 -0.022 0.000 2.057 165 K HA -0.086 4.235 4.320 0.000 0.000 0.206 165 K C 2.455 179.060 176.600 0.009 0.000 1.050 165 K CA 1.177 57.461 56.287 -0.005 0.000 0.935 165 K CB -0.126 32.375 32.500 0.002 0.000 0.715 165 K HN 0.429 nan 8.250 nan 0.000 0.439 166 E N 1.123 121.335 120.200 0.021 0.000 2.058 166 E HA -0.209 4.141 4.350 0.000 0.000 0.194 166 E C 1.943 178.576 176.600 0.056 0.000 0.997 166 E CA 1.207 57.639 56.400 0.053 0.000 0.801 166 E CB -0.014 29.744 29.700 0.097 0.000 0.746 166 E HN 0.235 nan 8.360 nan 0.000 0.450 167 I N 0.817 121.406 120.570 0.031 0.000 2.179 167 I HA -0.253 3.917 4.170 0.000 0.000 0.242 167 I C 2.255 178.385 176.117 0.022 0.000 1.088 167 I CA 1.362 62.683 61.300 0.035 0.000 1.357 167 I CB -0.294 37.690 38.000 -0.027 0.000 1.051 167 I HN 0.142 nan 8.210 nan 0.000 0.409 168 E N 0.131 120.333 120.200 0.003 0.000 2.204 168 E HA -0.204 4.146 4.350 0.000 0.000 0.195 168 E C 2.089 178.696 176.600 0.011 0.000 0.990 168 E CA 1.909 58.310 56.400 0.003 0.000 0.821 168 E CB -0.072 29.624 29.700 -0.006 0.000 0.750 168 E HN 0.632 nan 8.360 nan 0.000 0.477 169 T N -2.675 111.890 114.554 0.017 0.000 3.039 169 T HA -0.022 4.328 4.350 0.000 0.000 0.250 169 T C 2.052 176.767 174.700 0.026 0.000 1.052 169 T CA 1.020 63.132 62.100 0.019 0.000 1.125 169 T CB 0.071 68.950 68.868 0.019 0.000 0.908 169 T HN 0.169 nan 8.240 nan 0.000 0.473 170 T N -2.543 112.033 114.554 0.036 0.000 2.990 170 T HA 0.507 4.857 4.350 0.000 0.000 0.249 170 T C 1.967 176.692 174.700 0.043 0.000 1.039 170 T CA 0.914 63.038 62.100 0.040 0.000 1.036 170 T CB -0.087 68.812 68.868 0.051 0.000 0.994 170 T HN 0.960 nan 8.240 nan 0.000 0.489 171 G N 0.105 108.934 108.800 0.048 0.000 2.213 171 G HA2 -0.174 3.786 3.960 0.000 0.000 0.236 171 G HA3 -0.174 3.786 3.960 0.000 0.000 0.236 171 G C 0.248 175.193 174.900 0.076 0.000 0.991 171 G CA 0.572 45.701 45.100 0.049 0.000 0.629 171 G HN 1.005 nan 8.290 nan 0.000 0.517 172 T N -1.414 113.205 114.554 0.108 0.000 2.630 172 T HA 0.707 5.057 4.350 0.000 0.000 0.300 172 T C -1.666 173.208 174.700 0.290 0.000 1.261 172 T CA 0.619 62.825 62.100 0.177 0.000 1.060 172 T CB 1.271 70.181 68.868 0.071 0.000 1.670 172 T HN 1.712 nan 8.240 nan 0.000 0.473 173 Y N -0.568 119.740 120.300 0.014 0.000 2.677 173 Y HA 0.759 5.309 4.550 0.000 0.000 0.334 173 Y C -1.726 174.193 175.900 0.032 0.000 1.196 173 Y CA -1.218 56.900 58.100 0.030 0.000 1.059 173 Y CB 0.685 39.175 38.460 0.050 0.000 1.315 173 Y HN 0.451 nan 8.280 nan 0.000 0.455 174 Q N 2.293 122.094 119.800 0.002 0.000 2.309 174 Q HA 0.578 4.918 4.340 0.000 0.000 0.264 174 Q C -0.891 175.109 176.000 -0.001 0.000 1.008 174 Q CA -0.841 54.919 55.803 -0.072 0.000 0.853 174 Q CB 3.030 31.776 28.738 0.012 0.000 1.314 174 Q HN 0.850 nan 8.270 nan 0.000 0.448 175 L N 0.953 122.157 121.223 -0.032 0.000 2.439 175 L HA 0.440 4.780 4.340 0.000 0.000 0.259 175 L C 1.024 177.918 176.870 0.041 0.000 1.129 175 L CA -0.624 54.245 54.840 0.049 0.000 0.803 175 L CB 0.914 42.991 42.059 0.030 0.000 1.161 175 L HN 0.684 nan 8.230 nan 0.000 0.462 176 T N -1.673 112.897 114.554 0.026 0.000 2.874 176 T HA 0.194 4.544 4.350 0.000 0.000 0.281 176 T C 0.849 175.545 174.700 -0.007 0.000 0.994 176 T CA -0.726 61.378 62.100 0.008 0.000 1.015 176 T CB 1.186 70.051 68.868 -0.005 0.000 1.028 176 T HN 0.449 nan 8.240 nan 0.000 0.523 177 L N 0.737 121.960 121.223 -0.000 0.000 2.042 177 L HA -0.036 4.304 4.340 0.000 0.000 0.210 177 L C 1.985 178.864 176.870 0.016 0.000 1.076 177 L CA 1.986 56.822 54.840 -0.007 0.000 0.749 177 L CB -1.162 40.892 42.059 -0.008 0.000 0.893 177 L HN 0.736 nan 8.230 nan 0.000 0.432 178 D N -0.417 120.007 120.400 0.040 0.000 2.144 178 D HA -0.185 4.455 4.640 0.000 0.000 0.199 178 D C 2.117 178.505 176.300 0.147 0.000 0.984 178 D CA 1.353 55.426 54.000 0.122 0.000 0.834 178 D CB 0.045 40.962 40.800 0.194 0.000 0.955 178 D HN 0.539 nan 8.370 nan 0.000 0.465 179 E N -0.088 120.053 120.200 -0.098 0.000 2.072 179 E HA -0.142 4.208 4.350 0.000 0.000 0.191 179 E C 2.046 178.793 176.600 0.245 0.000 0.985 179 E CA 0.279 56.604 56.400 -0.125 0.000 0.801 179 E CB -0.041 29.542 29.700 -0.194 0.000 0.750 179 E HN 0.097 nan 8.360 nan 0.000 0.452 180 L N 1.163 122.434 121.223 0.081 0.000 2.017 180 L HA -0.159 4.181 4.340 0.000 0.000 0.208 180 L C 2.007 178.890 176.870 0.021 0.000 1.073 180 L CA 1.537 56.368 54.840 -0.015 0.000 0.745 180 L CB -0.261 41.731 42.059 -0.111 0.000 0.894 180 L HN 0.125 nan 8.230 nan 0.000 0.432 181 I N -1.216 119.396 120.570 0.071 0.000 2.163 181 I HA -0.341 3.829 4.170 0.000 0.000 0.243 181 I C 2.410 178.637 176.117 0.183 0.000 1.085 181 I CA 1.890 63.239 61.300 0.081 0.000 1.347 181 I CB -0.480 37.570 38.000 0.082 0.000 1.044 181 I HN 0.340 nan 8.210 nan 0.000 0.408 182 F N 1.802 121.856 119.950 0.174 0.000 2.126 182 F HA -0.273 4.254 4.527 0.000 0.000 0.299 182 F C 2.476 178.422 175.800 0.244 0.000 1.096 182 F CA 1.640 59.795 58.000 0.258 0.000 1.255 182 F CB -0.228 39.016 39.000 0.406 0.000 0.997 182 F HN 0.006 nan 8.300 nan 0.000 0.479 183 A N 0.033 122.991 122.820 0.230 0.000 1.902 183 A HA -0.207 4.114 4.320 0.000 0.000 0.217 183 A C 2.257 179.759 177.584 -0.137 0.000 1.181 183 A CA 2.426 54.472 52.037 0.015 0.000 0.623 183 A CB -1.646 17.313 19.000 -0.069 0.000 0.818 183 A HN 0.567 nan 8.150 nan 0.000 0.443 184 T N -1.763 112.744 114.554 -0.077 0.000 2.821 184 T HA -0.127 4.223 4.350 0.000 0.000 0.267 184 T C 1.806 176.549 174.700 0.072 0.000 1.046 184 T CA 1.602 63.682 62.100 -0.033 0.000 1.139 184 T CB -0.312 68.552 68.868 -0.007 0.000 0.871 184 T HN 0.535 nan 8.240 nan 0.000 0.454 185 K N 0.164 120.622 120.400 0.096 0.000 2.103 185 K HA 0.109 4.429 4.320 0.000 0.000 0.204 185 K C 2.487 179.171 176.600 0.140 0.000 1.052 185 K CA 1.083 57.524 56.287 0.257 0.000 0.945 185 K CB -0.205 32.462 32.500 0.278 0.000 0.722 185 K HN 0.249 nan 8.250 nan 0.000 0.443 186 M N 0.524 120.030 119.600 -0.157 0.000 2.132 186 M HA -0.061 4.419 4.480 0.000 0.000 0.263 186 M C 2.417 178.577 176.300 -0.233 0.000 1.065 186 M CA 1.321 56.432 55.300 -0.314 0.000 1.122 186 M CB -1.034 31.266 32.600 -0.500 0.000 1.365 186 M HN 0.142 nan 8.290 nan 0.000 0.411 187 A N -0.698 121.963 122.820 -0.266 0.000 1.933 187 A HA -0.210 4.110 4.320 0.000 0.000 0.218 187 A C 2.020 179.475 177.584 -0.216 0.000 1.175 187 A CA 1.442 53.196 52.037 -0.473 0.000 0.628 187 A CB -1.089 17.243 19.000 -1.113 0.000 0.814 187 A HN 0.672 nan 8.150 nan 0.000 0.444 188 W N 0.882 122.103 121.300 -0.132 0.000 2.379 188 W HA -0.096 4.564 4.660 0.000 0.000 0.307 188 W C 2.304 178.740 176.519 -0.139 0.000 1.200 188 W CA 1.450 58.765 57.345 -0.051 0.000 1.297 188 W CB -0.735 28.704 29.460 -0.035 0.000 1.140 188 W HN 0.354 nan 8.180 nan 0.000 0.507 189 R N 0.335 120.772 120.500 -0.105 0.000 2.127 189 R HA -0.181 4.159 4.340 0.000 0.000 0.238 189 R C 1.292 177.444 176.300 -0.246 0.000 1.134 189 R CA 1.774 57.636 56.100 -0.396 0.000 0.975 189 R CB -0.475 29.382 30.300 -0.737 0.000 0.865 189 R HN 0.072 nan 8.270 nan 0.000 0.447 190 N N 0.027 118.619 118.700 -0.180 0.000 2.322 190 N HA 0.057 4.797 4.740 0.000 0.000 0.194 190 N C -0.709 174.720 175.510 -0.136 0.000 1.126 190 N CA 0.435 53.416 53.050 -0.116 0.000 0.845 190 N CB 0.938 39.405 38.487 -0.034 0.000 0.976 190 N HN 0.147 nan 8.380 nan 0.000 0.475 191 A N 1.691 124.410 122.820 -0.168 0.000 2.437 191 A HA 0.328 4.648 4.320 0.000 0.000 0.303 191 A C -1.335 176.167 177.584 -0.137 0.000 1.324 191 A CA -1.064 50.822 52.037 -0.251 0.000 0.983 191 A CB 0.487 19.406 19.000 -0.136 0.000 1.142 191 A HN -0.021 nan 8.150 nan 0.000 0.541 192 P HA -0.108 nan 4.420 nan 0.000 0.222 192 P C 0.983 178.210 177.300 -0.121 0.000 1.147 192 P CA 1.084 64.124 63.100 -0.100 0.000 0.790 192 P CB 0.172 31.817 31.700 -0.092 0.000 0.780 193 R N -1.982 118.403 120.500 -0.192 0.000 2.334 193 R HA 0.172 4.512 4.340 0.000 0.000 0.220 193 R C 0.145 176.441 176.300 -0.006 0.000 0.917 193 R CA -0.151 55.859 56.100 -0.149 0.000 1.073 193 R CB -0.407 29.579 30.300 -0.523 0.000 1.056 193 R HN 0.178 nan 8.270 nan 0.000 0.506 194 C N 0.776 120.053 119.300 -0.038 0.000 2.273 194 C HA 0.332 4.792 4.460 0.000 0.000 0.328 194 C C 1.722 176.686 174.990 -0.044 0.000 1.275 194 C CA -0.826 58.204 59.018 0.021 0.000 1.704 194 C CB -0.437 27.374 27.740 0.118 0.000 2.326 194 C HN 0.569 nan 8.230 nan 0.000 0.517 195 I N 4.212 124.736 120.570 -0.076 0.000 3.251 195 I HA 0.169 4.339 4.170 0.000 0.000 0.277 195 I C 1.839 178.030 176.117 0.124 0.000 1.268 195 I CA 1.099 62.313 61.300 -0.142 0.000 1.449 195 I CB 0.105 38.023 38.000 -0.137 0.000 1.083 195 I HN 0.920 nan 8.210 nan 0.000 0.464 196 G N -0.038 108.830 108.800 0.113 0.000 3.371 196 G HA2 0.004 3.965 3.960 0.000 0.000 0.248 196 G HA3 0.004 3.965 3.960 0.000 0.000 0.248 196 G C 1.215 176.137 174.900 0.036 0.000 1.161 196 G CA -0.357 44.803 45.100 0.101 0.000 0.796 196 G HN 0.248 nan 8.290 nan 0.000 0.539 197 R N -0.166 120.294 120.500 -0.067 0.000 2.355 197 R HA 0.076 4.416 4.340 0.000 0.000 0.219 197 R C 2.041 177.820 176.300 -0.867 0.000 1.107 197 R CA 0.310 56.066 56.100 -0.573 0.000 1.021 197 R CB -0.245 29.743 30.300 -0.520 0.000 0.852 197 R HN 0.470 nan 8.270 nan 0.000 0.475 198 I N 0.440 120.698 120.570 -0.520 0.000 2.614 198 I HA -0.236 3.934 4.170 0.000 0.000 0.258 198 I C 1.199 177.205 176.117 -0.184 0.000 1.189 198 I CA 1.210 62.377 61.300 -0.221 0.000 1.462 198 I CB 0.162 38.171 38.000 0.015 0.000 1.092 198 I HN 0.216 nan 8.210 nan 0.000 0.442 199 Q N 0.605 120.222 119.800 -0.305 0.000 2.403 199 Q HA -0.103 4.237 4.340 0.000 0.000 0.203 199 Q C 1.606 177.125 176.000 -0.802 0.000 0.932 199 Q CA 0.350 55.961 55.803 -0.321 0.000 0.945 199 Q CB -0.197 28.509 28.738 -0.053 0.000 1.045 199 Q HN 0.779 nan 8.270 nan 0.000 0.511 200 W N 1.177 121.659 121.300 -1.362 0.000 2.296 200 W HA -0.247 4.413 4.660 0.000 0.000 0.296 200 W C 1.245 177.430 176.519 -0.556 0.000 1.220 200 W CA 1.601 57.998 57.345 -1.581 0.000 1.223 200 W CB -1.281 27.514 29.460 -1.109 0.000 1.139 200 W HN 0.180 nan 8.180 nan 0.000 0.534 201 S N 0.264 115.193 115.700 -1.285 0.000 2.562 201 S HA -0.032 4.438 4.470 0.000 0.000 0.221 201 S C 0.668 175.038 174.600 -0.383 0.000 0.975 201 S CA 0.311 57.911 58.200 -1.001 0.000 0.918 201 S CB -0.601 61.863 63.200 -1.226 0.000 0.772 201 S HN 0.179 nan 8.310 nan 0.000 0.531 202 N N 1.392 119.963 118.700 -0.214 0.000 2.801 202 N HA 0.474 5.214 4.740 0.000 0.000 0.235 202 N C -1.499 174.111 175.510 0.167 0.000 1.069 202 N CA -0.518 52.526 53.050 -0.009 0.000 0.946 202 N CB 0.586 39.091 38.487 0.030 0.000 1.212 202 N HN 0.409 nan 8.380 nan 0.000 0.509 203 L N 2.245 123.529 121.223 0.103 0.000 2.516 203 L HA 0.417 4.757 4.340 0.000 0.000 0.267 203 L C -0.940 175.890 176.870 -0.068 0.000 0.957 203 L CA -0.613 54.276 54.840 0.082 0.000 0.860 203 L CB 1.886 44.049 42.059 0.173 0.000 1.265 203 L HN 0.329 nan 8.230 nan 0.000 0.403 204 Q N 3.178 122.884 119.800 -0.156 0.000 2.288 204 Q HA 0.594 4.934 4.340 0.000 0.000 0.258 204 Q C -1.625 174.018 176.000 -0.596 0.000 0.957 204 Q CA -0.096 55.449 55.803 -0.429 0.000 0.919 204 Q CB 1.397 29.753 28.738 -0.637 0.000 1.185 204 Q HN 0.519 nan 8.270 nan 0.000 0.408 205 V N 5.869 125.423 119.914 -0.600 0.000 2.384 205 V HA 0.434 4.554 4.120 0.000 0.000 0.287 205 V C -0.857 174.859 176.094 -0.631 0.000 1.020 205 V CA -0.597 61.403 62.300 -0.499 0.000 0.850 205 V CB 0.696 32.363 31.823 -0.261 0.000 0.987 205 V HN 0.662 nan 8.190 nan 0.000 0.436 206 F N 2.609 122.402 119.950 -0.262 0.000 2.361 206 F HA 0.380 4.907 4.527 0.000 0.000 0.364 206 F C 0.469 176.094 175.800 -0.291 0.000 1.120 206 F CA -1.101 56.741 58.000 -0.263 0.000 1.102 206 F CB 1.070 39.911 39.000 -0.265 0.000 1.183 206 F HN 0.433 nan 8.300 nan 0.000 0.476 207 D N 3.343 123.697 120.400 -0.076 0.000 2.374 207 D HA 0.366 5.006 4.640 0.000 0.000 0.240 207 D C 0.146 176.309 176.300 -0.229 0.000 1.229 207 D CA 0.147 54.053 54.000 -0.157 0.000 0.895 207 D CB 0.978 41.718 40.800 -0.100 0.000 1.046 207 D HN 0.599 nan 8.370 nan 0.000 0.498 208 A N 4.584 127.148 122.820 -0.427 0.000 2.701 208 A HA 0.171 4.491 4.320 0.000 0.000 0.297 208 A C 1.626 179.000 177.584 -0.350 0.000 1.197 208 A CA -0.416 51.243 52.037 -0.631 0.000 0.963 208 A CB 0.028 18.226 19.000 -1.338 0.000 1.175 208 A HN 0.530 nan 8.150 nan 0.000 0.531 209 R N 0.036 120.415 120.500 -0.202 0.000 2.237 209 R HA -0.026 4.314 4.340 0.000 0.000 0.219 209 R C 0.565 176.817 176.300 -0.080 0.000 1.080 209 R CA 0.803 56.842 56.100 -0.103 0.000 0.995 209 R CB 0.060 30.346 30.300 -0.022 0.000 0.875 209 R HN 0.391 nan 8.270 nan 0.000 0.462 210 N N -0.119 118.548 118.700 -0.055 0.000 2.336 210 N HA -0.027 4.713 4.740 0.000 0.000 0.189 210 N C 0.134 175.669 175.510 0.042 0.000 1.113 210 N CA 0.069 53.122 53.050 0.004 0.000 0.858 210 N CB 0.005 38.510 38.487 0.030 0.000 0.970 210 N HN 0.103 nan 8.380 nan 0.000 0.471 211 C N 1.203 120.512 119.300 0.014 0.000 2.679 211 C HA 0.196 4.656 4.460 0.000 0.000 0.417 211 C C 1.859 176.958 174.990 0.182 0.000 1.302 211 C CA 0.388 59.482 59.018 0.128 0.000 1.973 211 C CB -0.086 27.757 27.740 0.172 0.000 2.715 211 C HN 0.566 nan 8.230 nan 0.000 0.628 212 S N 1.309 117.198 115.700 0.316 0.000 2.648 212 S HA 0.197 4.667 4.470 0.000 0.000 0.270 212 S C 0.228 175.026 174.600 0.330 0.000 1.082 212 S CA 0.418 58.855 58.200 0.395 0.000 1.116 212 S CB -0.172 63.165 63.200 0.228 0.000 1.040 212 S HN 1.035 nan 8.310 nan 0.000 0.572 213 T N -1.201 113.512 114.554 0.265 0.000 2.930 213 T HA 0.851 5.201 4.350 0.000 0.000 0.290 213 T C 1.234 176.029 174.700 0.158 0.000 1.052 213 T CA -0.193 62.009 62.100 0.169 0.000 1.017 213 T CB 1.518 70.465 68.868 0.133 0.000 1.137 213 T HN 0.245 nan 8.240 nan 0.000 0.511 214 A N 0.524 123.409 122.820 0.108 0.000 1.933 214 A HA -0.075 4.246 4.320 0.000 0.000 0.218 214 A C 2.310 179.862 177.584 -0.054 0.000 1.175 214 A CA 2.075 54.161 52.037 0.083 0.000 0.628 214 A CB -1.198 17.940 19.000 0.230 0.000 0.814 214 A HN 0.898 nan 8.150 nan 0.000 0.444 215 Q N 0.342 120.186 119.800 0.074 0.000 2.084 215 Q HA -0.191 4.149 4.340 0.000 0.000 0.202 215 Q C 1.752 177.758 176.000 0.010 0.000 0.978 215 Q CA 2.351 58.164 55.803 0.017 0.000 0.844 215 Q CB -0.419 28.420 28.738 0.169 0.000 0.898 215 Q HN 0.751 nan 8.270 nan 0.000 0.426 216 E N -0.547 119.698 120.200 0.075 0.000 2.106 216 E HA -0.160 4.190 4.350 0.000 0.000 0.192 216 E C 2.050 178.769 176.600 0.199 0.000 0.984 216 E CA 1.253 57.717 56.400 0.106 0.000 0.806 216 E CB -0.144 29.668 29.700 0.186 0.000 0.750 216 E HN 0.454 nan 8.360 nan 0.000 0.458 217 M N 0.006 119.717 119.600 0.186 0.000 2.086 217 M HA -0.165 4.315 4.480 0.000 0.000 0.261 217 M C 2.213 178.596 176.300 0.139 0.000 1.067 217 M CA 1.306 56.719 55.300 0.188 0.000 1.116 217 M CB -0.293 32.227 32.600 -0.132 0.000 1.348 217 M HN 0.125 nan 8.290 nan 0.000 0.407 218 F N 1.423 121.199 119.950 -0.290 0.000 2.091 218 F HA -0.286 4.241 4.527 0.000 0.000 0.299 218 F C 2.279 177.976 175.800 -0.172 0.000 1.103 218 F CA 1.909 59.678 58.000 -0.385 0.000 1.228 218 F CB -0.575 37.877 39.000 -0.913 0.000 0.984 218 F HN 0.180 nan 8.300 nan 0.000 0.477 219 Q N -1.117 118.521 119.800 -0.270 0.000 2.124 219 Q HA -0.214 4.126 4.340 0.000 0.000 0.202 219 Q C 2.218 178.033 176.000 -0.309 0.000 0.977 219 Q CA 1.605 57.189 55.803 -0.365 0.000 0.850 219 Q CB -0.431 28.148 28.738 -0.264 0.000 0.901 219 Q HN 0.533 nan 8.270 nan 0.000 0.429 220 H N 0.161 119.178 119.070 -0.089 0.000 2.357 220 H HA -0.051 4.505 4.556 0.000 0.000 0.301 220 H C 2.115 177.387 175.328 -0.094 0.000 1.082 220 H CA 1.170 57.168 56.048 -0.084 0.000 1.342 220 H CB 0.019 29.810 29.762 0.047 0.000 1.389 220 H HN 0.258 nan 8.280 nan 0.000 0.511 221 I N -0.145 120.486 120.570 0.103 0.000 2.315 221 I HA -0.267 3.903 4.170 0.000 0.000 0.248 221 I C 2.612 178.671 176.117 -0.096 0.000 1.117 221 I CA 0.678 61.996 61.300 0.030 0.000 1.404 221 I CB -0.229 37.804 38.000 0.055 0.000 1.071 221 I HN 0.203 nan 8.210 nan 0.000 0.419 222 C N 0.305 119.445 119.300 -0.266 0.000 2.440 222 C HA -0.118 4.342 4.460 0.000 0.000 0.278 222 C C 2.957 177.842 174.990 -0.174 0.000 1.295 222 C CA 0.547 59.391 59.018 -0.289 0.000 1.738 222 C CB -1.079 26.355 27.740 -0.509 0.000 1.987 222 C HN 0.449 nan 8.230 nan 0.000 0.492 223 R N 0.357 120.734 120.500 -0.205 0.000 2.081 223 R HA -0.141 4.199 4.340 0.000 0.000 0.235 223 R C 2.031 178.213 176.300 -0.197 0.000 1.131 223 R CA 1.925 57.887 56.100 -0.229 0.000 0.960 223 R CB -0.921 29.171 30.300 -0.346 0.000 0.856 223 R HN 0.776 nan 8.270 nan 0.000 0.436 224 H N -0.095 118.802 119.070 -0.288 0.000 2.293 224 H HA -0.041 4.515 4.556 0.000 0.000 0.300 224 H C 2.276 177.639 175.328 0.058 0.000 1.082 224 H CA 2.215 58.191 56.048 -0.121 0.000 1.308 224 H CB -0.094 29.644 29.762 -0.039 0.000 1.375 224 H HN 0.136 nan 8.280 nan 0.000 0.495 225 I N 0.084 120.788 120.570 0.224 0.000 2.194 225 I HA -0.274 3.896 4.170 0.000 0.000 0.246 225 I C 2.430 178.621 176.117 0.124 0.000 1.093 225 I CA 0.956 62.343 61.300 0.145 0.000 1.355 225 I CB -0.229 37.786 38.000 0.024 0.000 1.046 225 I HN 0.337 nan 8.210 nan 0.000 0.413 226 L N 0.234 121.501 121.223 0.074 0.000 2.017 226 L HA -0.269 4.072 4.340 0.000 0.000 0.208 226 L C 2.510 179.432 176.870 0.088 0.000 1.073 226 L CA 1.906 56.778 54.840 0.053 0.000 0.745 226 L CB -0.992 41.075 42.059 0.013 0.000 0.894 226 L HN 0.263 nan 8.230 nan 0.000 0.432 227 Y N 0.165 120.486 120.300 0.035 0.000 2.114 227 Y HA -0.241 4.309 4.550 0.000 0.000 0.284 227 Y C 2.368 178.334 175.900 0.110 0.000 1.143 227 Y CA 2.179 60.333 58.100 0.090 0.000 1.135 227 Y CB -0.621 37.952 38.460 0.187 0.000 0.980 227 Y HN 0.242 nan 8.280 nan 0.000 0.499 228 A N -0.531 122.412 122.820 0.206 0.000 1.902 228 A HA -0.185 4.135 4.320 0.000 0.000 0.217 228 A C 2.210 179.824 177.584 0.051 0.000 1.181 228 A CA 2.316 54.439 52.037 0.143 0.000 0.623 228 A CB -1.374 17.820 19.000 0.323 0.000 0.818 228 A HN 0.542 nan 8.150 nan 0.000 0.443 229 T N -0.157 114.437 114.554 0.066 0.000 2.708 229 T HA -0.135 4.215 4.350 0.000 0.000 0.266 229 T C 1.136 175.836 174.700 0.000 0.000 1.037 229 T CA 1.322 63.455 62.100 0.055 0.000 1.146 229 T CB -0.456 68.446 68.868 0.057 0.000 0.865 229 T HN 0.651 nan 8.240 nan 0.000 0.435 230 N N 1.483 120.151 118.700 -0.054 0.000 2.707 230 N HA -0.261 4.479 4.740 0.000 0.000 0.253 230 N C -0.029 175.454 175.510 -0.045 0.000 0.998 230 N CA 0.971 53.969 53.050 -0.087 0.000 0.751 230 N CB -1.895 36.495 38.487 -0.161 0.000 0.920 230 N HN 0.461 nan 8.380 nan 0.000 0.539 231 N N -1.473 117.213 118.700 -0.023 0.000 2.725 231 N HA -0.207 4.533 4.740 0.000 0.000 0.249 231 N C 0.999 176.497 175.510 -0.020 0.000 1.103 231 N CA 2.481 55.520 53.050 -0.019 0.000 0.707 231 N CB -1.225 37.249 38.487 -0.023 0.000 1.043 231 N HN 1.257 nan 8.380 nan 0.000 0.553 232 G N -0.978 107.818 108.800 -0.007 0.000 2.284 232 G HA2 -0.325 3.635 3.960 0.000 0.000 0.216 232 G HA3 -0.325 3.635 3.960 0.000 0.000 0.216 232 G C 0.069 174.970 174.900 0.001 0.000 1.009 232 G CA 0.161 45.259 45.100 -0.002 0.000 0.625 232 G HN 0.684 nan 8.290 nan 0.000 0.501 233 N N 2.279 120.965 118.700 -0.023 0.000 2.968 233 N HA 0.314 5.054 4.740 0.000 0.000 0.271 233 N C 0.862 176.360 175.510 -0.021 0.000 1.174 233 N CA -0.512 52.511 53.050 -0.045 0.000 1.096 233 N CB -0.482 37.970 38.487 -0.059 0.000 1.403 233 N HN 0.353 nan 8.380 nan 0.000 0.522 234 I N 1.811 122.403 120.570 0.037 0.000 2.906 234 I HA -0.120 4.050 4.170 0.000 0.000 0.302 234 I C 0.842 177.082 176.117 0.205 0.000 1.220 234 I CA 0.827 62.215 61.300 0.146 0.000 1.441 234 I CB -0.307 37.870 38.000 0.295 0.000 1.336 234 I HN 0.292 nan 8.210 nan 0.000 0.565 235 R N 3.890 124.483 120.500 0.154 0.000 2.561 235 R HA 0.405 4.745 4.340 0.000 0.000 0.297 235 R C -0.449 175.982 176.300 0.218 0.000 0.969 235 R CA -0.684 55.517 56.100 0.168 0.000 0.879 235 R CB 1.965 32.210 30.300 -0.091 0.000 1.178 235 R HN 0.546 nan 8.270 nan 0.000 0.445 236 S N 1.416 117.240 115.700 0.207 0.000 2.549 236 S HA 0.532 5.002 4.470 0.000 0.000 0.279 236 S C -0.339 174.298 174.600 0.062 0.000 1.321 236 S CA -0.294 57.938 58.200 0.054 0.000 1.054 236 S CB 1.305 64.453 63.200 -0.086 0.000 0.899 236 S HN 0.698 nan 8.310 nan 0.000 0.497 237 A N 2.748 125.570 122.820 0.003 0.000 2.609 237 A HA 0.844 5.164 4.320 0.000 0.000 0.291 237 A C -1.358 176.197 177.584 -0.049 0.000 1.096 237 A CA -0.665 51.292 52.037 -0.135 0.000 0.684 237 A CB 1.183 20.043 19.000 -0.232 0.000 1.282 237 A HN 0.795 nan 8.150 nan 0.000 0.412 238 I N 0.285 120.795 120.570 -0.100 0.000 2.692 238 I HA 0.601 4.771 4.170 0.000 0.000 0.293 238 I C -1.178 174.995 176.117 0.093 0.000 1.200 238 I CA -0.107 61.273 61.300 0.135 0.000 1.036 238 I CB 2.416 40.434 38.000 0.030 0.000 1.258 238 I HN 0.600 nan 8.210 nan 0.000 0.421 239 T N 6.344 121.018 114.554 0.201 0.000 2.770 239 T HA 0.422 4.772 4.350 0.000 0.000 0.283 239 T C -0.641 173.888 174.700 -0.285 0.000 0.988 239 T CA -0.354 61.728 62.100 -0.029 0.000 0.957 239 T CB 1.431 70.281 68.868 -0.030 0.000 0.930 239 T HN 0.254 nan 8.240 nan 0.000 0.443 240 V N 5.253 124.942 119.914 -0.374 0.000 2.348 240 V HA 0.429 4.549 4.120 0.000 0.000 0.270 240 V C -0.222 175.604 176.094 -0.447 0.000 1.037 240 V CA -0.671 61.413 62.300 -0.360 0.000 0.872 240 V CB -0.189 31.392 31.823 -0.402 0.000 1.002 240 V HN 0.755 nan 8.190 nan 0.000 0.464 241 F N 5.274 125.178 119.950 -0.077 0.000 2.362 241 F HA 0.456 4.983 4.527 0.000 0.000 0.311 241 F C -1.750 173.986 175.800 -0.106 0.000 1.161 241 F CA -2.391 55.496 58.000 -0.188 0.000 1.085 241 F CB 0.535 39.426 39.000 -0.181 0.000 1.311 241 F HN 0.303 nan 8.300 nan 0.000 0.524 242 P HA -0.042 nan 4.420 nan 0.000 0.264 242 P C -1.163 176.168 177.300 0.053 0.000 1.183 242 P CA -0.029 63.006 63.100 -0.109 0.000 0.763 242 P CB 0.208 31.687 31.700 -0.368 0.000 0.807 243 Q N 3.261 123.013 119.800 -0.080 0.000 2.454 243 Q HA 0.087 4.427 4.340 0.000 0.000 0.247 243 Q C 0.157 176.041 176.000 -0.194 0.000 1.028 243 Q CA -0.540 54.961 55.803 -0.505 0.000 0.910 243 Q CB 0.704 28.848 28.738 -0.990 0.000 1.276 243 Q HN 0.335 nan 8.270 nan 0.000 0.489 244 R N 1.287 121.671 120.500 -0.194 0.000 2.522 244 R HA -0.006 4.334 4.340 0.000 0.000 0.284 244 R C 0.187 176.455 176.300 -0.053 0.000 1.032 244 R CA 0.736 56.806 56.100 -0.049 0.000 1.049 244 R CB 0.537 30.806 30.300 -0.051 0.000 0.956 244 R HN 0.943 nan 8.270 nan 0.000 0.422 245 S N 2.668 118.384 115.700 0.026 0.000 2.460 245 S HA -0.057 4.413 4.470 0.000 0.000 0.185 245 S C 0.839 175.464 174.600 0.042 0.000 0.908 245 S CA 0.398 58.612 58.200 0.024 0.000 0.894 245 S CB -0.105 63.120 63.200 0.042 0.000 0.855 245 S HN 0.831 nan 8.310 nan 0.000 0.574 246 D N -0.106 120.352 120.400 0.096 0.000 2.398 246 D HA 0.321 4.961 4.640 0.000 0.000 0.210 246 D C 1.347 177.681 176.300 0.058 0.000 1.094 246 D CA 0.627 54.676 54.000 0.081 0.000 0.839 246 D CB -0.099 40.771 40.800 0.117 0.000 0.963 246 D HN 0.826 nan 8.370 nan 0.000 0.506 247 G N 0.923 109.758 108.800 0.058 0.000 2.176 247 G HA2 -0.354 3.606 3.960 0.000 0.000 0.253 247 G HA3 -0.354 3.606 3.960 0.000 0.000 0.253 247 G C 1.030 175.923 174.900 -0.012 0.000 0.979 247 G CA 0.437 45.550 45.100 0.020 0.000 0.641 247 G HN 0.451 nan 8.290 nan 0.000 0.530 248 K N -0.218 120.161 120.400 -0.034 0.000 2.353 248 K HA 0.208 4.528 4.320 0.000 0.000 0.195 248 K C 0.625 176.965 176.600 -0.434 0.000 1.031 248 K CA 0.192 56.346 56.287 -0.221 0.000 1.079 248 K CB 0.252 32.580 32.500 -0.288 0.000 0.857 248 K HN 0.557 nan 8.250 nan 0.000 0.535 249 H N 0.890 119.960 119.070 0.001 0.000 2.528 249 H HA 0.183 4.739 4.556 0.000 0.000 0.256 249 H C -0.817 174.504 175.328 -0.012 0.000 1.204 249 H CA -0.573 55.464 56.048 -0.019 0.000 0.955 249 H CB 0.288 30.058 29.762 0.013 0.000 1.817 249 H HN 0.031 nan 8.280 nan 0.000 0.579 250 D N 0.828 121.259 120.400 0.052 0.000 2.424 250 D HA 0.042 4.682 4.640 0.000 0.000 0.244 250 D C 0.059 176.377 176.300 0.029 0.000 1.134 250 D CA 0.410 54.467 54.000 0.095 0.000 0.881 250 D CB 0.646 41.485 40.800 0.066 0.000 1.191 250 D HN 0.077 nan 8.370 nan 0.000 0.445 251 F N 2.578 122.560 119.950 0.054 0.000 2.411 251 F HA 0.374 4.901 4.527 0.000 0.000 0.350 251 F C 0.951 176.765 175.800 0.024 0.000 1.114 251 F CA -0.225 57.781 58.000 0.009 0.000 1.135 251 F CB 0.816 39.815 39.000 -0.001 0.000 1.120 251 F HN -0.132 nan 8.300 nan 0.000 0.495 252 R N 3.649 124.233 120.500 0.139 0.000 2.626 252 R HA 0.500 4.840 4.340 0.000 0.000 0.274 252 R C -1.834 174.593 176.300 0.212 0.000 1.031 252 R CA -1.127 55.077 56.100 0.174 0.000 0.898 252 R CB 2.179 32.593 30.300 0.189 0.000 1.222 252 R HN 0.473 nan 8.270 nan 0.000 0.455 253 L N 1.813 123.155 121.223 0.198 0.000 2.272 253 L HA 0.360 4.701 4.340 0.000 0.000 0.289 253 L C 0.657 177.740 176.870 0.355 0.000 1.032 253 L CA -0.148 54.821 54.840 0.216 0.000 0.810 253 L CB 0.840 42.964 42.059 0.109 0.000 1.205 253 L HN 0.583 nan 8.230 nan 0.000 0.422 254 W N 0.653 122.027 121.300 0.124 0.000 2.519 254 W HA 0.016 4.676 4.660 0.000 0.000 0.266 254 W C 0.695 177.391 176.519 0.296 0.000 1.253 254 W CA -0.378 57.137 57.345 0.283 0.000 1.274 254 W CB -0.882 28.824 29.460 0.411 0.000 1.114 254 W HN 0.485 nan 8.180 nan 0.000 0.596 255 N N -0.396 118.489 118.700 0.309 0.000 2.479 255 N HA 0.020 4.760 4.740 0.000 0.000 0.257 255 N C 1.102 176.525 175.510 -0.144 0.000 1.232 255 N CA 0.444 53.413 53.050 -0.136 0.000 0.920 255 N CB 0.768 39.203 38.487 -0.086 0.000 1.105 255 N HN -0.287 nan 8.380 nan 0.000 0.444 256 S N 0.266 115.807 115.700 -0.265 0.000 2.395 256 S HA -0.012 4.458 4.470 0.000 0.000 0.225 256 S C 0.139 174.650 174.600 -0.149 0.000 1.027 256 S CA 1.016 59.129 58.200 -0.146 0.000 0.965 256 S CB 0.043 63.172 63.200 -0.118 0.000 0.812 256 S HN 0.565 nan 8.310 nan 0.000 0.482 257 Q N -0.872 118.819 119.800 -0.181 0.000 2.423 257 Q HA 0.514 4.854 4.340 0.000 0.000 0.278 257 Q C 0.547 176.425 176.000 -0.203 0.000 1.097 257 Q CA -0.388 55.306 55.803 -0.180 0.000 0.809 257 Q CB 1.361 30.026 28.738 -0.122 0.000 1.391 257 Q HN 0.002 nan 8.270 nan 0.000 0.428 258 L N 0.312 121.408 121.223 -0.212 0.000 2.017 258 L HA 0.024 4.364 4.340 0.000 0.000 0.208 258 L C 0.352 177.076 176.870 -0.244 0.000 1.073 258 L CA 1.062 55.785 54.840 -0.194 0.000 0.745 258 L CB 0.024 41.961 42.059 -0.203 0.000 0.894 258 L HN 0.522 nan 8.230 nan 0.000 0.432 259 I N -0.105 120.238 120.570 -0.378 0.000 2.378 259 I HA 0.464 4.634 4.170 0.000 0.000 0.291 259 I C -0.336 175.175 176.117 -1.009 0.000 0.992 259 I CA -0.324 60.568 61.300 -0.680 0.000 1.154 259 I CB 1.459 38.947 38.000 -0.854 0.000 1.315 259 I HN 0.080 nan 8.210 nan 0.000 0.448 260 R N 4.511 124.516 120.500 -0.825 0.000 2.634 260 R HA 0.497 4.837 4.340 0.000 0.000 0.263 260 R C -1.966 174.133 176.300 -0.336 0.000 1.060 260 R CA -0.642 55.128 56.100 -0.550 0.000 0.898 260 R CB 1.188 31.348 30.300 -0.232 0.000 1.253 260 R HN 0.291 nan 8.270 nan 0.000 0.461 261 Y N 1.220 121.537 120.300 0.029 0.000 2.320 261 Y HA 0.678 5.228 4.550 0.000 0.000 0.324 261 Y C 0.866 176.793 175.900 0.046 0.000 1.190 261 Y CA -0.368 57.785 58.100 0.088 0.000 1.215 261 Y CB 1.436 40.042 38.460 0.244 0.000 1.221 261 Y HN 0.746 nan 8.280 nan 0.000 0.486 262 A N 1.080 124.002 122.820 0.170 0.000 2.313 262 A HA 0.692 5.012 4.320 0.000 0.000 0.261 262 A C 0.380 177.815 177.584 -0.247 0.000 1.090 262 A CA 0.167 52.131 52.037 -0.122 0.000 0.807 262 A CB -0.086 18.764 19.000 -0.250 0.000 1.055 262 A HN 0.901 nan 8.150 nan 0.000 0.492 263 G N -0.531 108.025 108.800 -0.405 0.000 2.590 263 G HA2 0.584 4.544 3.960 0.000 0.000 0.310 263 G HA3 0.584 4.544 3.960 0.000 0.000 0.310 263 G C -1.407 173.249 174.900 -0.407 0.000 1.347 263 G CA -0.267 44.653 45.100 -0.300 0.000 0.963 263 G HN 0.529 nan 8.290 nan 0.000 0.494 264 Y N 0.652 120.976 120.300 0.040 0.000 2.409 264 Y HA 0.401 4.951 4.550 0.000 0.000 0.343 264 Y C 0.312 176.256 175.900 0.073 0.000 0.973 264 Y CA -1.037 57.103 58.100 0.066 0.000 1.064 264 Y CB 2.599 41.123 38.460 0.107 0.000 1.207 264 Y HN 0.263 nan 8.280 nan 0.000 0.452 265 Q N 4.310 124.253 119.800 0.238 0.000 2.490 265 Q HA 0.243 4.583 4.340 0.000 0.000 0.226 265 Q C -0.515 175.582 176.000 0.162 0.000 1.132 265 Q CA -0.309 55.584 55.803 0.149 0.000 0.928 265 Q CB 0.474 29.274 28.738 0.104 0.000 1.299 265 Q HN 0.652 nan 8.270 nan 0.000 0.528 266 M N 3.511 123.193 119.600 0.137 0.000 2.240 266 M HA 0.065 4.545 4.480 0.000 0.000 0.317 266 M C -1.226 175.092 176.300 0.031 0.000 1.087 266 M CA -1.975 53.374 55.300 0.081 0.000 1.176 266 M CB -0.697 31.932 32.600 0.049 0.000 1.439 266 M HN 0.158 nan 8.290 nan 0.000 0.452 267 P HA -0.173 nan 4.420 nan 0.000 0.215 267 P C 0.496 177.786 177.300 -0.017 0.000 1.153 267 P CA 1.418 64.503 63.100 -0.026 0.000 0.853 267 P CB -0.031 31.629 31.700 -0.065 0.000 0.788 268 D N -2.077 118.312 120.400 -0.018 0.000 2.378 268 D HA 0.028 4.668 4.640 0.000 0.000 0.227 268 D C 1.477 177.776 176.300 -0.001 0.000 1.012 268 D CA 1.015 55.007 54.000 -0.013 0.000 0.905 268 D CB -0.937 39.853 40.800 -0.017 0.000 0.895 268 D HN 0.278 nan 8.370 nan 0.000 0.532 269 G N -0.271 108.534 108.800 0.008 0.000 2.234 269 G HA2 -0.267 3.693 3.960 0.000 0.000 0.235 269 G HA3 -0.267 3.693 3.960 0.000 0.000 0.235 269 G C 0.565 175.477 174.900 0.020 0.000 0.997 269 G CA 0.350 45.459 45.100 0.015 0.000 0.623 269 G HN 0.818 nan 8.290 nan 0.000 0.514 270 T N 0.176 114.741 114.554 0.019 0.000 2.860 270 T HA 0.635 4.985 4.350 0.000 0.000 0.299 270 T C 0.431 175.153 174.700 0.036 0.000 1.045 270 T CA -0.438 61.675 62.100 0.021 0.000 1.071 270 T CB 1.568 70.444 68.868 0.013 0.000 0.985 270 T HN 0.395 nan 8.240 nan 0.000 0.537 271 I N 1.915 122.501 120.570 0.027 0.000 2.359 271 I HA 0.437 4.607 4.170 0.000 0.000 0.294 271 I C 0.528 176.660 176.117 0.026 0.000 0.987 271 I CA -0.582 60.737 61.300 0.032 0.000 1.225 271 I CB 1.308 39.309 38.000 0.002 0.000 1.366 271 I HN 0.802 nan 8.210 nan 0.000 0.466 272 R N 3.531 124.080 120.500 0.080 0.000 2.562 272 R HA 0.635 4.975 4.340 0.000 0.000 0.298 272 R C 0.335 176.668 176.300 0.054 0.000 0.961 272 R CA 0.272 56.423 56.100 0.084 0.000 0.881 272 R CB 1.573 31.978 30.300 0.174 0.000 1.159 272 R HN 0.903 nan 8.270 nan 0.000 0.450 273 G N 2.752 111.502 108.800 -0.084 0.000 2.488 273 G HA2 -0.268 3.692 3.960 0.000 0.000 0.237 273 G HA3 -0.268 3.692 3.960 0.000 0.000 0.237 273 G C -1.097 173.527 174.900 -0.459 0.000 1.209 273 G CA 0.042 45.048 45.100 -0.157 0.000 0.929 273 G HN 0.649 nan 8.290 nan 0.000 0.578 274 D N 1.852 122.125 120.400 -0.212 0.000 2.393 274 D HA 0.589 5.229 4.640 0.000 0.000 0.232 274 D C 1.541 177.779 176.300 -0.103 0.000 1.192 274 D CA 0.806 54.697 54.000 -0.182 0.000 0.882 274 D CB 0.700 41.672 40.800 0.287 0.000 1.038 274 D HN 0.931 nan 8.370 nan 0.000 0.499 275 A N 3.728 126.460 122.820 -0.147 0.000 2.032 275 A HA -0.150 4.170 4.320 0.000 0.000 0.221 275 A C 1.993 179.576 177.584 -0.002 0.000 1.165 275 A CA 1.809 53.811 52.037 -0.059 0.000 0.645 275 A CB -0.219 18.750 19.000 -0.051 0.000 0.807 275 A HN 0.599 nan 8.150 nan 0.000 0.453 276 A N -0.649 122.191 122.820 0.033 0.000 2.167 276 A HA 0.102 4.422 4.320 0.000 0.000 0.214 276 A C 1.906 179.525 177.584 0.058 0.000 1.151 276 A CA 1.745 53.818 52.037 0.060 0.000 0.735 276 A CB -0.718 18.339 19.000 0.095 0.000 0.802 276 A HN 0.790 nan 8.150 nan 0.000 0.467 277 T N -3.156 111.427 114.554 0.049 0.000 3.214 277 T HA 0.397 4.747 4.350 0.000 0.000 0.264 277 T C 1.307 176.019 174.700 0.021 0.000 1.012 277 T CA -0.106 62.025 62.100 0.052 0.000 0.901 277 T CB -0.379 68.526 68.868 0.062 0.000 1.070 277 T HN 0.211 nan 8.240 nan 0.000 0.561 278 L N 0.705 121.927 121.223 -0.001 0.000 1.990 278 L HA -0.110 4.230 4.340 0.000 0.000 0.213 278 L C 2.944 179.803 176.870 -0.019 0.000 1.072 278 L CA 2.132 56.961 54.840 -0.018 0.000 0.755 278 L CB -0.441 41.618 42.059 -0.000 0.000 0.889 278 L HN 0.422 nan 8.230 nan 0.000 0.432 279 E N -0.316 119.876 120.200 -0.013 0.000 2.051 279 E HA -0.277 4.073 4.350 0.000 0.000 0.192 279 E C 2.156 178.690 176.600 -0.110 0.000 0.991 279 E CA 1.398 57.762 56.400 -0.060 0.000 0.799 279 E CB -0.129 29.532 29.700 -0.065 0.000 0.748 279 E HN 0.366 nan 8.360 nan 0.000 0.449 280 F N 1.086 120.903 119.950 -0.223 0.000 2.186 280 F HA -0.149 4.378 4.527 0.000 0.000 0.299 280 F C 2.275 177.965 175.800 -0.183 0.000 1.090 280 F CA 1.684 59.529 58.000 -0.257 0.000 1.307 280 F CB -0.316 38.561 39.000 -0.206 0.000 1.019 280 F HN -0.021 nan 8.300 nan 0.000 0.489 281 T N -0.310 114.206 114.554 -0.063 0.000 2.746 281 T HA -0.254 4.096 4.350 0.000 0.000 0.267 281 T C 1.752 176.393 174.700 -0.099 0.000 1.039 281 T CA 1.607 63.629 62.100 -0.130 0.000 1.142 281 T CB -0.332 68.445 68.868 -0.151 0.000 0.866 281 T HN 0.234 nan 8.240 nan 0.000 0.444 282 Q N 0.824 120.573 119.800 -0.085 0.000 2.084 282 Q HA -0.061 4.279 4.340 0.000 0.000 0.202 282 Q C 2.113 178.046 176.000 -0.111 0.000 0.978 282 Q CA 1.210 56.981 55.803 -0.052 0.000 0.844 282 Q CB -0.755 27.955 28.738 -0.046 0.000 0.898 282 Q HN 0.440 nan 8.270 nan 0.000 0.426 283 L N -0.359 120.725 121.223 -0.232 0.000 2.042 283 L HA -0.174 4.166 4.340 0.000 0.000 0.210 283 L C 2.113 178.830 176.870 -0.255 0.000 1.076 283 L CA 1.885 56.566 54.840 -0.265 0.000 0.749 283 L CB -1.005 40.810 42.059 -0.406 0.000 0.893 283 L HN 0.395 nan 8.230 nan 0.000 0.432 284 C N -0.379 118.707 119.300 -0.357 0.000 2.429 284 C HA -0.132 4.328 4.460 0.000 0.000 0.277 284 C C 2.730 177.757 174.990 0.061 0.000 1.262 284 C CA 0.906 59.784 59.018 -0.232 0.000 1.733 284 C CB -0.958 26.542 27.740 -0.399 0.000 2.010 284 C HN 0.598 nan 8.230 nan 0.000 0.483 285 I N 1.155 121.803 120.570 0.131 0.000 2.226 285 I HA -0.193 3.977 4.170 0.000 0.000 0.245 285 I C 2.016 178.148 176.117 0.025 0.000 1.100 285 I CA 1.542 62.923 61.300 0.136 0.000 1.374 285 I CB -0.604 37.464 38.000 0.112 0.000 1.057 285 I HN 0.323 nan 8.210 nan 0.000 0.413 286 D N 0.843 121.226 120.400 -0.027 0.000 2.218 286 D HA -0.089 4.551 4.640 0.000 0.000 0.204 286 D C 1.990 178.244 176.300 -0.077 0.000 0.976 286 D CA 1.140 55.100 54.000 -0.066 0.000 0.853 286 D CB -0.109 40.630 40.800 -0.102 0.000 0.939 286 D HN 0.335 nan 8.370 nan 0.000 0.481 287 L N -0.818 120.367 121.223 -0.064 0.000 2.612 287 L HA 0.236 4.576 4.340 0.000 0.000 0.230 287 L C 1.474 178.317 176.870 -0.046 0.000 1.140 287 L CA 0.316 55.117 54.840 -0.066 0.000 0.896 287 L CB 0.053 42.063 42.059 -0.080 0.000 1.065 287 L HN 0.133 nan 8.230 nan 0.000 0.447 288 G N -1.159 107.631 108.800 -0.017 0.000 2.195 288 G HA2 -0.297 3.663 3.960 0.000 0.000 0.224 288 G HA3 -0.297 3.663 3.960 0.000 0.000 0.224 288 G C -0.087 174.830 174.900 0.028 0.000 0.990 288 G CA -0.351 44.739 45.100 -0.018 0.000 0.639 288 G HN 0.308 nan 8.290 nan 0.000 0.514 289 W N 2.626 123.860 121.300 -0.111 0.000 2.181 289 W HA 0.661 5.321 4.660 0.000 0.000 0.335 289 W C 0.102 176.584 176.519 -0.062 0.000 1.310 289 W CA -0.389 56.901 57.345 -0.090 0.000 1.226 289 W CB 0.627 30.031 29.460 -0.094 0.000 1.155 289 W HN -0.020 nan 8.180 nan 0.000 0.565 290 K N 8.172 128.062 120.400 -0.850 0.000 2.284 290 K HA 0.266 4.587 4.320 0.000 0.000 0.287 290 K C -2.242 173.527 176.600 -1.385 0.000 1.081 290 K CA -1.906 53.890 56.287 -0.818 0.000 0.910 290 K CB 0.403 32.611 32.500 -0.488 0.000 1.088 290 K HN 0.185 nan 8.250 nan 0.000 0.478 291 P HA 0.115 nan 4.420 nan 0.000 0.271 291 P C -0.515 176.338 177.300 -0.745 0.000 1.220 291 P CA -0.137 62.383 63.100 -0.965 0.000 0.768 291 P CB 1.044 32.292 31.700 -0.752 0.000 0.848 292 R N 1.774 121.950 120.500 -0.540 0.000 2.362 292 R HA 0.129 4.469 4.340 0.000 0.000 0.227 292 R C 0.027 176.187 176.300 -0.233 0.000 0.905 292 R CA -0.254 55.699 56.100 -0.245 0.000 1.067 292 R CB -0.441 29.829 30.300 -0.050 0.000 1.078 292 R HN 0.423 nan 8.270 nan 0.000 0.516 293 Y N -0.419 119.408 120.300 -0.787 0.000 3.225 293 Y HA -0.291 4.259 4.550 0.000 0.000 0.211 293 Y C 0.895 176.600 175.900 -0.325 0.000 1.223 293 Y CA 0.542 58.052 58.100 -0.984 0.000 1.284 293 Y CB -1.928 36.175 38.460 -0.596 0.000 1.367 293 Y HN 0.238 nan 8.280 nan 0.000 0.566 294 G N -0.348 108.484 108.800 0.054 0.000 2.552 294 G HA2 0.491 4.451 3.960 0.000 0.000 0.318 294 G HA3 0.491 4.451 3.960 0.000 0.000 0.318 294 G C 0.546 175.548 174.900 0.170 0.000 1.240 294 G CA -0.483 44.698 45.100 0.135 0.000 1.002 294 G HN 0.313 nan 8.290 nan 0.000 0.493 295 R N -1.387 119.105 120.500 -0.012 0.000 2.173 295 R HA 0.179 4.519 4.340 0.000 0.000 0.208 295 R C -0.083 175.841 176.300 -0.626 0.000 1.035 295 R CA 0.645 56.566 56.100 -0.298 0.000 1.004 295 R CB -0.011 30.017 30.300 -0.454 0.000 0.917 295 R HN 0.344 nan 8.270 nan 0.000 0.462 296 F N 1.076 120.986 119.950 -0.066 0.000 2.577 296 F HA 0.309 4.836 4.527 0.000 0.000 0.342 296 F C -1.162 174.523 175.800 -0.192 0.000 1.479 296 F CA -1.283 56.382 58.000 -0.558 0.000 1.110 296 F CB 0.822 39.338 39.000 -0.806 0.000 1.306 296 F HN -0.235 nan 8.300 nan 0.000 0.554 297 D N 1.550 122.104 120.400 0.257 0.000 2.313 297 D HA 0.218 4.858 4.640 0.000 0.000 0.239 297 D C 0.202 176.776 176.300 0.456 0.000 1.142 297 D CA 0.002 54.238 54.000 0.392 0.000 0.847 297 D CB 2.247 43.349 40.800 0.503 0.000 1.082 297 D HN -0.050 nan 8.370 nan 0.000 0.480 298 V N 3.730 123.890 119.914 0.410 0.000 2.529 298 V HA -0.021 4.099 4.120 0.000 0.000 0.292 298 V C 1.014 177.152 176.094 0.073 0.000 1.028 298 V CA -0.221 62.213 62.300 0.223 0.000 1.074 298 V CB 0.087 31.989 31.823 0.132 0.000 0.958 298 V HN 0.344 nan 8.190 nan 0.000 0.481 299 L N 8.455 129.621 121.223 -0.095 0.000 2.452 299 L HA 0.315 4.655 4.340 0.000 0.000 0.267 299 L C -1.668 175.025 176.870 -0.294 0.000 1.188 299 L CA -1.272 53.370 54.840 -0.331 0.000 0.821 299 L CB 0.684 42.632 42.059 -0.186 0.000 1.102 299 L HN 0.486 nan 8.230 nan 0.000 0.470 300 P HA 0.194 nan 4.420 nan 0.000 0.278 300 P C -1.027 176.228 177.300 -0.075 0.000 1.258 300 P CA -0.566 62.377 63.100 -0.261 0.000 0.811 300 P CB 0.963 32.401 31.700 -0.438 0.000 1.063 301 L N 1.041 122.294 121.223 0.050 0.000 2.331 301 L HA 0.235 4.575 4.340 0.000 0.000 0.278 301 L C 0.234 177.182 176.870 0.130 0.000 1.106 301 L CA -0.685 54.232 54.840 0.128 0.000 0.824 301 L CB 0.864 43.043 42.059 0.200 0.000 1.142 301 L HN 0.092 nan 8.230 nan 0.000 0.443 302 V N 5.963 125.968 119.914 0.152 0.000 2.294 302 V HA 0.328 4.448 4.120 0.000 0.000 0.272 302 V C 0.121 176.219 176.094 0.007 0.000 1.027 302 V CA -0.311 62.012 62.300 0.038 0.000 0.823 302 V CB 1.022 32.896 31.823 0.085 0.000 1.030 302 V HN 0.491 nan 8.190 nan 0.000 0.457 303 L N 4.839 126.058 121.223 -0.007 0.000 2.307 303 L HA 0.613 4.953 4.340 0.000 0.000 0.284 303 L C -0.055 176.714 176.870 -0.169 0.000 1.023 303 L CA -0.349 54.473 54.840 -0.029 0.000 0.810 303 L CB 1.653 43.740 42.059 0.046 0.000 1.231 303 L HN 0.601 nan 8.230 nan 0.000 0.423 304 Q N 3.052 122.750 119.800 -0.171 0.000 2.333 304 Q HA 0.716 5.056 4.340 0.000 0.000 0.265 304 Q C -1.359 174.493 176.000 -0.248 0.000 0.989 304 Q CA -0.582 55.086 55.803 -0.224 0.000 0.842 304 Q CB 1.988 30.675 28.738 -0.084 0.000 1.262 304 Q HN 0.781 nan 8.270 nan 0.000 0.451 305 A N 3.772 126.381 122.820 -0.353 0.000 2.355 305 A HA 0.429 4.749 4.320 0.000 0.000 0.317 305 A C -0.334 176.792 177.584 -0.762 0.000 1.094 305 A CA -0.256 51.337 52.037 -0.740 0.000 0.764 305 A CB 1.136 19.922 19.000 -0.355 0.000 1.230 305 A HN 1.036 nan 8.150 nan 0.000 0.448 306 D N 1.371 120.997 120.400 -1.289 0.000 2.701 306 D HA -0.114 4.527 4.640 0.000 0.000 0.235 306 D C 1.277 177.466 176.300 -0.186 0.000 1.155 306 D CA 2.653 56.357 54.000 -0.494 0.000 0.649 306 D CB -1.021 39.662 40.800 -0.194 0.000 1.050 306 D HN 2.140 nan 8.370 nan 0.000 0.425 307 G N -1.201 107.468 108.800 -0.218 0.000 2.220 307 G HA2 -0.396 3.564 3.960 0.000 0.000 0.269 307 G HA3 -0.396 3.564 3.960 0.000 0.000 0.269 307 G C 0.389 175.251 174.900 -0.064 0.000 0.977 307 G CA 0.732 45.759 45.100 -0.122 0.000 0.634 307 G HN 0.566 nan 8.290 nan 0.000 0.539 308 Q N 1.104 120.839 119.800 -0.109 0.000 2.492 308 Q HA 0.300 4.640 4.340 0.000 0.000 0.238 308 Q C 0.227 176.160 176.000 -0.111 0.000 1.045 308 Q CA -0.113 55.649 55.803 -0.069 0.000 0.934 308 Q CB 0.229 28.918 28.738 -0.083 0.000 1.276 308 Q HN 0.430 nan 8.270 nan 0.000 0.521 309 D N 2.452 122.805 120.400 -0.079 0.000 2.443 309 D HA 0.089 4.729 4.640 0.000 0.000 0.239 309 D C -2.045 174.011 176.300 -0.405 0.000 1.136 309 D CA -0.802 53.048 54.000 -0.250 0.000 0.879 309 D CB -0.011 40.798 40.800 0.015 0.000 1.195 309 D HN 0.213 nan 8.370 nan 0.000 0.443 310 P HA 0.062 nan 4.420 nan 0.000 0.268 310 P C -0.675 176.390 177.300 -0.391 0.000 1.204 310 P CA 0.005 62.667 63.100 -0.730 0.000 0.768 310 P CB 0.832 31.638 31.700 -1.489 0.000 0.842 311 E N 1.006 121.054 120.200 -0.253 0.000 2.195 311 E HA 0.374 4.724 4.350 0.000 0.000 0.271 311 E C -0.616 175.801 176.600 -0.306 0.000 0.923 311 E CA -1.189 55.058 56.400 -0.255 0.000 0.790 311 E CB 1.882 31.464 29.700 -0.196 0.000 1.155 311 E HN 0.174 nan 8.360 nan 0.000 0.402 312 V N 3.459 123.103 119.914 -0.451 0.000 2.465 312 V HA 0.332 4.452 4.120 0.000 0.000 0.279 312 V C -0.667 175.026 176.094 -0.669 0.000 1.045 312 V CA -0.216 61.864 62.300 -0.367 0.000 0.938 312 V CB 0.036 31.725 31.823 -0.224 0.000 0.986 312 V HN 0.515 nan 8.190 nan 0.000 0.467 313 F N 1.840 121.637 119.950 -0.256 0.000 2.562 313 F HA 0.414 4.941 4.527 0.000 0.000 0.319 313 F C 0.417 176.054 175.800 -0.271 0.000 1.154 313 F CA -0.670 57.050 58.000 -0.467 0.000 0.931 313 F CB 1.505 39.904 39.000 -1.002 0.000 1.198 313 F HN 0.445 nan 8.300 nan 0.000 0.444 314 E N 3.720 123.922 120.200 0.004 0.000 2.360 314 E HA 0.289 4.640 4.350 0.000 0.000 0.269 314 E C -0.363 176.388 176.600 0.251 0.000 1.022 314 E CA -0.268 56.218 56.400 0.143 0.000 0.887 314 E CB 1.415 31.234 29.700 0.199 0.000 0.990 314 E HN 0.478 nan 8.360 nan 0.000 0.426 315 I N 4.914 125.634 120.570 0.250 0.000 2.416 315 I HA 0.100 4.270 4.170 0.000 0.000 0.288 315 I C -2.037 174.211 176.117 0.219 0.000 1.051 315 I CA -2.047 59.422 61.300 0.283 0.000 1.375 315 I CB 0.440 38.531 38.000 0.151 0.000 1.407 315 I HN 0.174 nan 8.210 nan 0.000 0.516 316 P HA 0.060 nan 4.420 nan 0.000 0.262 316 P C -2.021 175.342 177.300 0.106 0.000 1.199 316 P CA -0.807 62.384 63.100 0.151 0.000 0.763 316 P CB 0.169 31.939 31.700 0.118 0.000 0.790 317 P HA -0.217 nan 4.420 nan 0.000 0.217 317 P C 0.847 178.187 177.300 0.067 0.000 1.148 317 P CA 1.402 64.556 63.100 0.091 0.000 0.834 317 P CB -0.003 31.753 31.700 0.094 0.000 0.783 318 D N -1.136 119.298 120.400 0.057 0.000 2.263 318 D HA -0.072 4.568 4.640 0.000 0.000 0.208 318 D C 1.715 178.034 176.300 0.032 0.000 0.971 318 D CA 0.912 54.936 54.000 0.040 0.000 0.867 318 D CB -0.174 40.646 40.800 0.034 0.000 0.929 318 D HN 0.276 nan 8.370 nan 0.000 0.492 319 L N 0.363 121.606 121.223 0.034 0.000 2.509 319 L HA 0.047 4.387 4.340 0.000 0.000 0.222 319 L C 0.476 177.363 176.870 0.029 0.000 1.123 319 L CA 0.120 54.974 54.840 0.023 0.000 0.856 319 L CB 0.508 42.571 42.059 0.007 0.000 0.985 319 L HN -0.229 nan 8.230 nan 0.000 0.456 320 V N 2.035 121.972 119.914 0.038 0.000 2.320 320 V HA 0.162 4.282 4.120 0.000 0.000 0.265 320 V C 0.001 176.126 176.094 0.052 0.000 1.048 320 V CA -0.488 61.836 62.300 0.040 0.000 0.865 320 V CB 1.244 33.092 31.823 0.042 0.000 1.043 320 V HN 0.040 nan 8.190 nan 0.000 0.474 321 L N 5.653 126.908 121.223 0.053 0.000 2.331 321 L HA 0.528 4.868 4.340 0.000 0.000 0.278 321 L C 0.091 176.989 176.870 0.046 0.000 1.106 321 L CA 0.713 55.575 54.840 0.037 0.000 0.824 321 L CB 0.739 42.814 42.059 0.026 0.000 1.142 321 L HN 0.683 nan 8.230 nan 0.000 0.443 322 E N 3.176 123.381 120.200 0.008 0.000 2.336 322 E HA 0.609 4.959 4.350 0.000 0.000 0.267 322 E C -1.519 175.013 176.600 -0.113 0.000 0.906 322 E CA -1.038 55.358 56.400 -0.007 0.000 0.781 322 E CB 2.523 32.247 29.700 0.040 0.000 1.261 322 E HN 0.374 nan 8.360 nan 0.000 0.436 323 V N 1.624 121.433 119.914 -0.174 0.000 2.487 323 V HA 0.272 4.393 4.120 0.000 0.000 0.298 323 V C -0.103 175.929 176.094 -0.104 0.000 1.028 323 V CA -0.810 61.335 62.300 -0.259 0.000 0.860 323 V CB 1.627 33.055 31.823 -0.658 0.000 0.991 323 V HN 0.847 nan 8.190 nan 0.000 0.427 324 T N 3.586 118.097 114.554 -0.072 0.000 2.832 324 T HA 0.499 4.849 4.350 0.000 0.000 0.296 324 T C -0.090 174.639 174.700 0.049 0.000 0.968 324 T CA -0.771 61.322 62.100 -0.011 0.000 1.107 324 T CB 0.737 69.603 68.868 -0.005 0.000 0.916 324 T HN 0.313 nan 8.240 nan 0.000 0.517 325 M N 3.321 123.000 119.600 0.132 0.000 2.184 325 M HA 0.380 4.860 4.480 0.000 0.000 0.351 325 M C 0.249 176.718 176.300 0.281 0.000 1.395 325 M CA 0.210 55.652 55.300 0.238 0.000 1.117 325 M CB -0.220 32.626 32.600 0.409 0.000 1.708 325 M HN 0.789 nan 8.290 nan 0.000 0.468 326 E N 1.001 121.310 120.200 0.181 0.000 2.367 326 E HA 0.383 4.733 4.350 0.000 0.000 0.273 326 E C -1.123 175.501 176.600 0.041 0.000 0.903 326 E CA -0.749 55.762 56.400 0.185 0.000 0.764 326 E CB 2.678 32.477 29.700 0.164 0.000 1.252 326 E HN 0.515 nan 8.360 nan 0.000 0.446 327 H N 3.044 122.031 119.070 -0.138 0.000 2.457 327 H HA 0.222 4.778 4.556 0.000 0.000 0.335 327 H C -1.858 173.229 175.328 -0.402 0.000 1.115 327 H CA -2.348 53.479 56.048 -0.368 0.000 1.219 327 H CB 1.820 31.329 29.762 -0.421 0.000 1.471 327 H HN 0.335 nan 8.280 nan 0.000 0.491 328 P HA -0.101 nan 4.420 nan 0.000 0.225 328 P C 0.493 177.594 177.300 -0.331 0.000 1.148 328 P CA 1.037 63.642 63.100 -0.825 0.000 0.779 328 P CB 0.766 31.855 31.700 -1.019 0.000 0.780 329 K N -1.565 118.770 120.400 -0.108 0.000 2.493 329 K HA 0.137 4.457 4.320 0.000 0.000 0.201 329 K C 0.707 177.179 176.600 -0.213 0.000 1.355 329 K CA 0.271 56.442 56.287 -0.192 0.000 0.953 329 K CB -0.186 32.102 32.500 -0.353 0.000 1.316 329 K HN 0.251 nan 8.250 nan 0.000 0.522 330 Y N 2.906 123.080 120.300 -0.210 0.000 2.585 330 Y HA 0.111 4.661 4.550 0.000 0.000 0.354 330 Y C 1.285 176.879 175.900 -0.509 0.000 1.024 330 Y CA -0.379 57.321 58.100 -0.667 0.000 1.321 330 Y CB 0.516 38.070 38.460 -1.510 0.000 1.151 330 Y HN 0.062 nan 8.280 nan 0.000 0.525 331 E N 3.638 123.777 120.200 -0.101 0.000 2.204 331 E HA -0.195 4.155 4.350 0.000 0.000 0.195 331 E C 1.461 178.101 176.600 0.067 0.000 0.990 331 E CA 1.126 57.535 56.400 0.014 0.000 0.821 331 E CB -0.044 29.704 29.700 0.080 0.000 0.750 331 E HN 0.874 nan 8.360 nan 0.000 0.477 332 W N -0.250 121.145 121.300 0.159 0.000 2.699 332 W HA -0.032 4.628 4.660 0.000 0.000 0.249 332 W C 1.370 177.943 176.519 0.089 0.000 1.280 332 W CA -0.199 57.197 57.345 0.085 0.000 1.345 332 W CB -0.802 28.666 29.460 0.012 0.000 1.128 332 W HN -0.040 nan 8.180 nan 0.000 0.642 333 F N 3.176 122.970 119.950 -0.259 0.000 2.134 333 F HA -0.286 4.241 4.527 0.000 0.000 0.299 333 F C 3.063 178.901 175.800 0.064 0.000 1.097 333 F CA 2.731 60.652 58.000 -0.132 0.000 1.264 333 F CB -0.478 38.370 39.000 -0.253 0.000 1.001 333 F HN -0.136 nan 8.300 nan 0.000 0.479 334 Q N 1.097 121.047 119.800 0.251 0.000 2.234 334 Q HA -0.249 4.091 4.340 0.000 0.000 0.206 334 Q C 1.596 177.666 176.000 0.118 0.000 0.980 334 Q CA 1.961 57.877 55.803 0.189 0.000 0.869 334 Q CB -0.514 28.316 28.738 0.152 0.000 0.912 334 Q HN 0.585 nan 8.270 nan 0.000 0.436 335 E N 0.329 120.604 120.200 0.124 0.000 2.409 335 E HA -0.075 4.275 4.350 0.000 0.000 0.198 335 E C 1.954 178.584 176.600 0.050 0.000 1.024 335 E CA 0.455 56.914 56.400 0.098 0.000 0.861 335 E CB -0.039 29.741 29.700 0.132 0.000 0.788 335 E HN 0.400 nan 8.360 nan 0.000 0.521 336 L N -0.319 120.900 121.223 -0.008 0.000 2.376 336 L HA 0.027 4.367 4.340 0.000 0.000 0.219 336 L C 1.473 178.346 176.870 0.005 0.000 1.133 336 L CA 0.472 55.269 54.840 -0.072 0.000 0.816 336 L CB -0.386 41.501 42.059 -0.287 0.000 0.933 336 L HN 0.246 nan 8.230 nan 0.000 0.449 337 G N 1.011 109.840 108.800 0.048 0.000 2.249 337 G HA2 -0.282 3.678 3.960 0.000 0.000 0.273 337 G HA3 -0.282 3.678 3.960 0.000 0.000 0.273 337 G C 0.072 175.068 174.900 0.160 0.000 1.036 337 G CA 0.009 45.174 45.100 0.108 0.000 0.824 337 G HN 0.247 nan 8.290 nan 0.000 0.504 338 L N -0.594 120.671 121.223 0.070 0.000 2.379 338 L HA 0.780 5.120 4.340 0.000 0.000 0.269 338 L C 0.669 177.481 176.870 -0.096 0.000 1.084 338 L CA -0.465 54.381 54.840 0.010 0.000 0.802 338 L CB 1.566 43.537 42.059 -0.146 0.000 1.175 338 L HN 0.520 nan 8.230 nan 0.000 0.448 339 K N 0.842 121.027 120.400 -0.358 0.000 2.578 339 K HA 0.509 4.829 4.320 0.000 0.000 0.287 339 K C -2.031 174.560 176.600 -0.015 0.000 1.010 339 K CA -1.061 55.100 56.287 -0.209 0.000 0.889 339 K CB 2.227 34.517 32.500 -0.349 0.000 1.514 339 K HN 0.574 nan 8.250 nan 0.000 0.424 340 W N 1.769 123.017 121.300 -0.087 0.000 3.137 340 W HA 0.336 4.996 4.660 0.000 0.000 0.324 340 W C -1.312 175.207 176.519 0.000 0.000 1.253 340 W CA -0.807 56.523 57.345 -0.026 0.000 1.183 340 W CB 1.594 30.920 29.460 -0.223 0.000 1.424 340 W HN 0.691 nan 8.180 nan 0.000 0.566 341 Y N 0.977 121.117 120.300 -0.267 0.000 2.326 341 Y HA 0.520 5.070 4.550 0.000 0.000 0.333 341 Y C 0.806 176.879 175.900 0.288 0.000 1.240 341 Y CA 0.104 58.166 58.100 -0.063 0.000 1.365 341 Y CB 0.219 38.527 38.460 -0.253 0.000 1.289 341 Y HN 0.340 nan 8.280 nan 0.000 0.548 342 A N 2.412 125.455 122.820 0.373 0.000 2.072 342 A HA 0.105 4.425 4.320 0.000 0.000 0.216 342 A C 0.411 178.349 177.584 0.590 0.000 1.156 342 A CA 0.171 52.487 52.037 0.464 0.000 0.701 342 A CB -0.237 18.874 19.000 0.185 0.000 0.816 342 A HN 0.667 nan 8.150 nan 0.000 0.458 343 L N 1.983 123.499 121.223 0.488 0.000 2.262 343 L HA 0.429 4.769 4.340 0.000 0.000 0.288 343 L C -2.598 174.426 176.870 0.257 0.000 1.035 343 L CA -2.203 52.827 54.840 0.317 0.000 0.820 343 L CB 1.519 43.685 42.059 0.180 0.000 1.204 343 L HN -0.052 nan 8.230 nan 0.000 0.424 344 P HA 0.379 nan 4.420 nan 0.000 0.291 344 P C -1.488 175.708 177.300 -0.174 0.000 1.378 344 P CA -0.319 62.596 63.100 -0.307 0.000 0.853 344 P CB 1.336 32.457 31.700 -0.964 0.000 1.002 345 A N 4.268 127.003 122.820 -0.142 0.000 2.357 345 A HA 0.471 4.791 4.320 0.000 0.000 0.295 345 A C -0.379 177.005 177.584 -0.334 0.000 1.121 345 A CA -0.687 51.210 52.037 -0.232 0.000 0.742 345 A CB 1.252 20.124 19.000 -0.213 0.000 1.181 345 A HN 0.281 nan 8.150 nan 0.000 0.454 346 V N 2.333 121.905 119.914 -0.571 0.000 2.508 346 V HA 0.391 4.511 4.120 0.000 0.000 0.281 346 V C 1.191 176.876 176.094 -0.681 0.000 1.041 346 V CA 0.927 62.825 62.300 -0.669 0.000 1.016 346 V CB 0.933 32.147 31.823 -1.016 0.000 0.984 346 V HN 1.131 nan 8.190 nan 0.000 0.478 347 A N 4.233 126.829 122.820 -0.372 0.000 2.259 347 A HA 0.146 4.466 4.320 0.000 0.000 0.213 347 A C 1.308 178.822 177.584 -0.117 0.000 1.209 347 A CA 0.312 52.206 52.037 -0.239 0.000 0.910 347 A CB 0.002 18.908 19.000 -0.156 0.000 0.946 347 A HN 0.810 nan 8.150 nan 0.000 0.497 348 N N -0.493 118.147 118.700 -0.100 0.000 2.234 348 N HA 0.233 4.973 4.740 0.000 0.000 0.227 348 N C 0.020 175.555 175.510 0.042 0.000 1.151 348 N CA -0.140 52.901 53.050 -0.014 0.000 0.865 348 N CB -0.306 38.167 38.487 -0.023 0.000 1.066 348 N HN 0.366 nan 8.380 nan 0.000 0.515 349 M N 0.362 119.992 119.600 0.049 0.000 2.371 349 M HA 0.358 4.838 4.480 0.000 0.000 0.301 349 M C -0.377 176.065 176.300 0.235 0.000 1.173 349 M CA -0.819 54.581 55.300 0.166 0.000 1.020 349 M CB 1.762 34.480 32.600 0.196 0.000 1.490 349 M HN 0.060 nan 8.290 nan 0.000 0.485 350 L N 2.159 123.558 121.223 0.293 0.000 2.341 350 L HA 0.534 4.874 4.340 0.000 0.000 0.278 350 L C -1.468 175.631 176.870 0.382 0.000 1.005 350 L CA -1.026 53.999 54.840 0.310 0.000 0.818 350 L CB 1.431 43.630 42.059 0.233 0.000 1.259 350 L HN 0.565 nan 8.230 nan 0.000 0.418 351 L N 5.072 126.518 121.223 0.372 0.000 2.265 351 L HA 0.438 4.779 4.340 0.000 0.000 0.288 351 L C -0.364 176.662 176.870 0.260 0.000 1.058 351 L CA 0.386 55.374 54.840 0.247 0.000 0.809 351 L CB 0.978 43.145 42.059 0.179 0.000 1.179 351 L HN 0.617 nan 8.230 nan 0.000 0.429 352 E N 4.914 125.223 120.200 0.181 0.000 2.151 352 E HA 0.482 4.832 4.350 0.000 0.000 0.275 352 E C -1.829 174.795 176.600 0.039 0.000 0.936 352 E CA -0.396 56.101 56.400 0.161 0.000 0.777 352 E CB 1.837 31.712 29.700 0.292 0.000 1.108 352 E HN 0.513 nan 8.360 nan 0.000 0.401 353 V N 3.278 123.186 119.914 -0.010 0.000 2.697 353 V HA 0.483 4.603 4.120 0.000 0.000 0.300 353 V C 0.337 176.320 176.094 -0.185 0.000 1.115 353 V CA 0.461 62.649 62.300 -0.187 0.000 0.912 353 V CB 1.245 32.859 31.823 -0.348 0.000 1.024 353 V HN 0.862 nan 8.190 nan 0.000 0.431 354 G N 4.382 113.124 108.800 -0.095 0.000 2.379 354 G HA2 0.060 4.020 3.960 0.000 0.000 0.297 354 G HA3 0.060 4.020 3.960 0.000 0.000 0.297 354 G C 1.614 176.672 174.900 0.263 0.000 1.004 354 G CA 1.467 46.676 45.100 0.183 0.000 0.921 354 G HN 2.737 nan 8.290 nan 0.000 0.511 355 G N -2.044 106.836 108.800 0.134 0.000 2.241 355 G HA2 -0.238 3.723 3.960 0.000 0.000 0.244 355 G HA3 -0.238 3.723 3.960 0.000 0.000 0.244 355 G C 0.557 175.500 174.900 0.072 0.000 0.998 355 G CA 0.439 45.644 45.100 0.176 0.000 0.621 355 G HN 1.245 nan 8.290 nan 0.000 0.519 356 L N 0.710 121.930 121.223 -0.006 0.000 2.418 356 L HA 0.640 4.980 4.340 0.000 0.000 0.265 356 L C 0.367 177.132 176.870 -0.176 0.000 1.143 356 L CA -0.318 54.415 54.840 -0.178 0.000 0.809 356 L CB 0.924 42.778 42.059 -0.341 0.000 1.124 356 L HN 0.220 nan 8.230 nan 0.000 0.456 357 E N 1.728 121.744 120.200 -0.307 0.000 2.246 357 E HA 0.400 4.751 4.350 0.000 0.000 0.266 357 E C -1.608 174.794 176.600 -0.331 0.000 0.880 357 E CA -0.422 55.874 56.400 -0.174 0.000 0.762 357 E CB 2.030 31.675 29.700 -0.091 0.000 1.180 357 E HN 0.256 nan 8.360 nan 0.000 0.416 358 F N 3.077 123.051 119.950 0.040 0.000 2.359 358 F HA 0.304 4.831 4.527 0.000 0.000 0.370 358 F C -1.813 174.062 175.800 0.124 0.000 1.077 358 F CA -2.170 55.874 58.000 0.074 0.000 1.136 358 F CB 1.410 40.446 39.000 0.059 0.000 1.387 358 F HN 0.353 nan 8.300 nan 0.000 0.468 359 P HA -0.071 nan 4.420 nan 0.000 0.228 359 P C -0.133 177.309 177.300 0.236 0.000 1.151 359 P CA 0.735 63.955 63.100 0.199 0.000 0.770 359 P CB 0.422 32.210 31.700 0.148 0.000 0.786 360 A N 0.020 123.032 122.820 0.319 0.000 2.375 360 A HA 0.561 4.881 4.320 0.000 0.000 0.291 360 A C -0.368 177.478 177.584 0.436 0.000 1.160 360 A CA -0.446 51.801 52.037 0.350 0.000 0.747 360 A CB 0.361 19.559 19.000 0.329 0.000 1.170 360 A HN 0.251 nan 8.150 nan 0.000 0.458 361 C N 1.052 120.545 119.300 0.320 0.000 3.319 361 C HA 0.492 4.952 4.460 0.000 0.000 0.258 361 C C -2.917 172.175 174.990 0.171 0.000 1.068 361 C CA -1.513 57.649 59.018 0.240 0.000 1.193 361 C CB -0.142 27.742 27.740 0.240 0.000 1.770 361 C HN 0.586 nan 8.230 nan 0.000 0.604 362 P HA 0.412 nan 4.420 nan 0.000 0.271 362 P C -0.629 176.641 177.300 -0.051 0.000 1.216 362 P CA 0.802 63.822 63.100 -0.133 0.000 0.771 362 P CB 0.690 32.309 31.700 -0.135 0.000 0.864 363 F N 0.429 120.288 119.950 -0.151 0.000 2.629 363 F HA 0.696 5.223 4.527 0.000 0.000 0.316 363 F C -0.747 174.951 175.800 -0.170 0.000 1.081 363 F CA -1.157 56.764 58.000 -0.133 0.000 0.954 363 F CB 1.702 40.487 39.000 -0.358 0.000 1.337 363 F HN 0.371 nan 8.300 nan 0.000 0.474 364 N N -0.228 118.564 118.700 0.153 0.000 2.494 364 N HA 0.712 5.452 4.740 0.000 0.000 0.270 364 N C -1.291 174.164 175.510 -0.092 0.000 1.285 364 N CA -0.424 52.637 53.050 0.020 0.000 0.812 364 N CB 1.964 40.507 38.487 0.094 0.000 1.557 364 N HN 1.092 nan 8.380 nan 0.000 0.487 365 G N -0.786 107.920 108.800 -0.157 0.000 3.214 365 G HA2 0.678 4.638 3.960 0.000 0.000 0.188 365 G HA3 0.678 4.638 3.960 0.000 0.000 0.188 365 G C -1.760 173.098 174.900 -0.070 0.000 1.126 365 G CA -0.739 44.191 45.100 -0.283 0.000 0.796 365 G HN 0.696 nan 8.290 nan 0.000 0.631 366 W N -1.574 119.725 121.300 -0.000 0.000 2.820 366 W HA 0.817 5.477 4.660 0.000 0.000 0.350 366 W C -1.361 175.148 176.519 -0.017 0.000 1.116 366 W CA -2.210 55.150 57.345 0.024 0.000 1.146 366 W CB 0.357 29.868 29.460 0.085 0.000 1.433 366 W HN 0.407 nan 8.180 nan 0.000 0.561 367 Y N 2.268 122.749 120.300 0.302 0.000 2.379 367 Y HA 0.235 4.785 4.550 0.000 0.000 0.337 367 Y C 0.724 176.661 175.900 0.063 0.000 1.238 367 Y CA -0.368 57.781 58.100 0.081 0.000 1.405 367 Y CB 1.016 39.411 38.460 -0.109 0.000 1.310 367 Y HN 0.433 nan 8.280 nan 0.000 0.569 368 M N 2.245 121.978 119.600 0.222 0.000 2.227 368 M HA 0.366 4.846 4.480 0.000 0.000 0.335 368 M C 1.084 177.361 176.300 -0.039 0.000 1.053 368 M CA -0.156 55.201 55.300 0.095 0.000 0.973 368 M CB 1.376 34.016 32.600 0.067 0.000 1.623 368 M HN 0.842 nan 8.290 nan 0.000 0.434 369 G N 1.721 110.449 108.800 -0.120 0.000 2.606 369 G HA2 -0.347 3.613 3.960 0.000 0.000 0.221 369 G HA3 -0.347 3.613 3.960 0.000 0.000 0.221 369 G C 1.146 175.872 174.900 -0.290 0.000 1.152 369 G CA 1.985 46.940 45.100 -0.242 0.000 0.765 369 G HN 0.885 nan 8.290 nan 0.000 0.595 370 T N -0.812 113.585 114.554 -0.261 0.000 2.849 370 T HA -0.064 4.286 4.350 0.000 0.000 0.270 370 T C 1.935 176.450 174.700 -0.308 0.000 1.066 370 T CA 1.701 63.604 62.100 -0.329 0.000 1.130 370 T CB -0.324 68.288 68.868 -0.428 0.000 0.864 370 T HN 0.562 nan 8.240 nan 0.000 0.481 371 E N 0.883 120.929 120.200 -0.257 0.000 2.085 371 E HA -0.061 4.289 4.350 0.000 0.000 0.194 371 E C 2.091 178.402 176.600 -0.482 0.000 0.994 371 E CA 1.447 57.708 56.400 -0.232 0.000 0.801 371 E CB -0.286 29.429 29.700 0.025 0.000 0.743 371 E HN 0.609 nan 8.360 nan 0.000 0.453 372 I N 0.209 120.340 120.570 -0.733 0.000 2.364 372 I HA -0.040 4.130 4.170 0.000 0.000 0.241 372 I C 2.624 178.128 176.117 -1.022 0.000 1.082 372 I CA 0.822 61.390 61.300 -1.220 0.000 1.401 372 I CB -0.536 36.635 38.000 -1.383 0.000 1.126 372 I HN 0.089 nan 8.210 nan 0.000 0.429 373 G N 0.620 109.068 108.800 -0.588 0.000 2.450 373 G HA2 -0.143 3.817 3.960 0.000 0.000 0.220 373 G HA3 -0.143 3.817 3.960 0.000 0.000 0.220 373 G C 1.551 176.377 174.900 -0.124 0.000 1.130 373 G CA 1.236 46.199 45.100 -0.229 0.000 0.760 373 G HN 0.249 nan 8.290 nan 0.000 0.557 374 V N -0.116 119.667 119.914 -0.219 0.000 2.599 374 V HA 0.107 4.227 4.120 0.000 0.000 0.237 374 V C 2.727 178.740 176.094 -0.135 0.000 1.081 374 V CA 0.712 62.923 62.300 -0.147 0.000 1.107 374 V CB -0.200 31.509 31.823 -0.189 0.000 0.808 374 V HN 0.093 nan 8.190 nan 0.000 0.486 375 R N 0.870 121.249 120.500 -0.202 0.000 2.055 375 R HA -0.039 4.301 4.340 0.000 0.000 0.228 375 R C 1.959 178.185 176.300 -0.124 0.000 1.143 375 R CA 1.581 57.589 56.100 -0.153 0.000 0.945 375 R CB -1.165 29.034 30.300 -0.168 0.000 0.841 375 R HN 0.468 nan 8.270 nan 0.000 0.429 376 D N 0.443 120.660 120.400 -0.304 0.000 2.092 376 D HA -0.135 4.505 4.640 0.000 0.000 0.193 376 D C 1.914 178.243 176.300 0.047 0.000 0.994 376 D CA 1.190 54.997 54.000 -0.321 0.000 0.828 376 D CB -0.202 39.844 40.800 -1.258 0.000 0.963 376 D HN 0.091 nan 8.370 nan 0.000 0.450 377 F N 0.305 120.173 119.950 -0.138 0.000 2.270 377 F HA 0.021 4.548 4.527 0.000 0.000 0.295 377 F C 2.447 178.297 175.800 0.082 0.000 1.087 377 F CA -0.179 57.834 58.000 0.023 0.000 1.365 377 F CB -0.751 38.246 39.000 -0.004 0.000 1.056 377 F HN 0.046 nan 8.300 nan 0.000 0.506 378 C N -1.275 118.148 119.300 0.205 0.000 2.865 378 C HA 0.173 4.633 4.460 0.000 0.000 0.280 378 C C 0.435 175.474 174.990 0.081 0.000 1.255 378 C CA -0.667 58.428 59.018 0.129 0.000 1.705 378 C CB -0.615 27.169 27.740 0.074 0.000 2.080 378 C HN 0.083 nan 8.230 nan 0.000 0.591 379 D N 1.902 122.342 120.400 0.066 0.000 2.455 379 D HA 0.072 4.712 4.640 0.000 0.000 0.241 379 D C 1.555 177.898 176.300 0.072 0.000 1.138 379 D CA 0.506 54.534 54.000 0.046 0.000 0.877 379 D CB 0.990 41.812 40.800 0.036 0.000 1.187 379 D HN 0.429 nan 8.370 nan 0.000 0.451 380 T N -0.179 114.406 114.554 0.051 0.000 2.833 380 T HA -0.256 4.095 4.350 0.000 0.000 0.269 380 T C 1.370 176.101 174.700 0.052 0.000 1.054 380 T CA 0.887 63.020 62.100 0.056 0.000 1.135 380 T CB -0.056 68.839 68.868 0.044 0.000 0.869 380 T HN 0.476 nan 8.240 nan 0.000 0.466 381 Q N 0.995 120.822 119.800 0.046 0.000 2.322 381 Q HA 0.148 4.488 4.340 0.000 0.000 0.203 381 Q C 0.826 176.855 176.000 0.048 0.000 0.923 381 Q CA -0.006 55.821 55.803 0.040 0.000 0.949 381 Q CB 0.071 28.831 28.738 0.037 0.000 1.039 381 Q HN 0.402 nan 8.270 nan 0.000 0.496 382 R N -0.451 120.096 120.500 0.078 0.000 2.769 382 R HA 0.246 4.586 4.340 0.000 0.000 0.117 382 R C 1.355 177.706 176.300 0.085 0.000 1.152 382 R CA -0.401 55.774 56.100 0.124 0.000 0.887 382 R CB -1.111 29.325 30.300 0.227 0.000 1.099 382 R HN 0.071 nan 8.270 nan 0.000 0.398 383 Y N 1.602 122.033 120.300 0.219 0.000 2.509 383 Y HA -0.049 4.501 4.550 0.000 0.000 0.293 383 Y C 0.617 176.604 175.900 0.145 0.000 1.133 383 Y CA 0.671 58.905 58.100 0.223 0.000 1.283 383 Y CB -0.415 38.270 38.460 0.375 0.000 1.001 383 Y HN 0.459 nan 8.280 nan 0.000 0.555 384 N N 0.992 119.832 118.700 0.233 0.000 2.689 384 N HA -0.234 4.506 4.740 0.000 0.000 0.263 384 N C 0.347 175.944 175.510 0.145 0.000 0.987 384 N CA 0.839 53.982 53.050 0.156 0.000 0.782 384 N CB -1.227 37.319 38.487 0.098 0.000 0.903 384 N HN 0.671 nan 8.380 nan 0.000 0.547 385 I N -3.083 117.585 120.570 0.162 0.000 3.875 385 I HA 0.123 4.293 4.170 0.000 0.000 0.329 385 I C 1.560 177.751 176.117 0.124 0.000 1.295 385 I CA -0.447 60.916 61.300 0.105 0.000 1.129 385 I CB -0.049 37.972 38.000 0.035 0.000 1.008 385 I HN 0.134 nan 8.210 nan 0.000 0.413 386 L N 1.922 123.243 121.223 0.164 0.000 1.990 386 L HA -0.225 4.116 4.340 0.000 0.000 0.213 386 L C 2.570 179.649 176.870 0.349 0.000 1.072 386 L CA 2.324 57.298 54.840 0.224 0.000 0.755 386 L CB -0.773 41.380 42.059 0.158 0.000 0.889 386 L HN 0.516 nan 8.230 nan 0.000 0.432 387 E N -1.008 119.373 120.200 0.301 0.000 2.077 387 E HA -0.307 4.043 4.350 0.000 0.000 0.193 387 E C 2.063 178.647 176.600 -0.027 0.000 0.989 387 E CA 1.297 57.792 56.400 0.158 0.000 0.800 387 E CB -0.070 29.669 29.700 0.065 0.000 0.746 387 E HN 0.547 nan 8.360 nan 0.000 0.452 388 E N 0.143 120.338 120.200 -0.008 0.000 2.058 388 E HA -0.182 4.169 4.350 0.000 0.000 0.194 388 E C 1.984 178.519 176.600 -0.109 0.000 0.997 388 E CA 1.808 58.160 56.400 -0.080 0.000 0.801 388 E CB -0.287 29.379 29.700 -0.056 0.000 0.746 388 E HN 0.185 nan 8.360 nan 0.000 0.450 389 V N 0.345 120.262 119.914 0.005 0.000 2.407 389 V HA -0.174 3.947 4.120 0.000 0.000 0.248 389 V C 2.304 178.416 176.094 0.030 0.000 1.055 389 V CA 1.842 64.188 62.300 0.076 0.000 1.049 389 V CB -1.103 30.865 31.823 0.243 0.000 0.662 389 V HN 0.515 nan 8.190 nan 0.000 0.455 390 G N -0.210 108.640 108.800 0.082 0.000 2.418 390 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 390 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 390 G C 1.771 176.526 174.900 -0.241 0.000 1.158 390 G CA 0.637 45.746 45.100 0.016 0.000 0.771 390 G HN 0.425 nan 8.290 nan 0.000 0.545 391 R N -0.087 120.221 120.500 -0.321 0.000 2.075 391 R HA 0.046 4.386 4.340 0.000 0.000 0.232 391 R C 2.732 178.791 176.300 -0.402 0.000 1.126 391 R CA 0.914 56.803 56.100 -0.353 0.000 0.963 391 R CB -0.242 29.868 30.300 -0.316 0.000 0.858 391 R HN 0.254 nan 8.270 nan 0.000 0.435 392 R N 0.008 120.179 120.500 -0.549 0.000 2.237 392 R HA 0.010 4.350 4.340 0.000 0.000 0.219 392 R C 1.853 177.603 176.300 -0.915 0.000 1.080 392 R CA 0.929 56.449 56.100 -0.967 0.000 0.995 392 R CB -0.009 29.298 30.300 -1.655 0.000 0.875 392 R HN 0.225 nan 8.270 nan 0.000 0.462 393 M N -0.729 118.574 119.600 -0.494 0.000 2.556 393 M HA 0.134 4.614 4.480 0.000 0.000 0.245 393 M C 0.754 176.958 176.300 -0.160 0.000 1.128 393 M CA 0.477 55.632 55.300 -0.242 0.000 1.069 393 M CB 0.842 33.410 32.600 -0.053 0.000 1.469 393 M HN 0.375 nan 8.290 nan 0.000 0.494 394 G N 1.939 110.609 108.800 -0.217 0.000 2.176 394 G HA2 -0.235 3.725 3.960 0.000 0.000 0.252 394 G HA3 -0.235 3.725 3.960 0.000 0.000 0.252 394 G C -0.050 174.780 174.900 -0.115 0.000 1.024 394 G CA -0.103 44.902 45.100 -0.159 0.000 0.755 394 G HN 0.398 nan 8.290 nan 0.000 0.507 395 L N -0.774 120.371 121.223 -0.131 0.000 2.439 395 L HA 0.421 4.761 4.340 0.000 0.000 0.259 395 L C 1.008 177.752 176.870 -0.210 0.000 1.129 395 L CA -0.706 54.080 54.840 -0.090 0.000 0.803 395 L CB 0.540 42.612 42.059 0.023 0.000 1.161 395 L HN 0.141 nan 8.230 nan 0.000 0.462 396 E N 0.274 120.390 120.200 -0.141 0.000 1.972 396 E HA -0.009 4.341 4.350 0.000 0.000 0.292 396 E C 0.788 177.098 176.600 -0.482 0.000 1.193 396 E CA -0.074 56.215 56.400 -0.185 0.000 1.228 396 E CB 0.085 29.773 29.700 -0.020 0.000 1.167 396 E HN 0.642 nan 8.360 nan 0.000 0.479 397 T N -2.393 111.597 114.554 -0.939 0.000 3.139 397 T HA -0.149 4.201 4.350 0.000 0.000 0.267 397 T C 0.977 175.105 174.700 -0.952 0.000 1.164 397 T CA 0.989 62.026 62.100 -1.771 0.000 1.075 397 T CB -0.199 67.674 68.868 -1.658 0.000 0.904 397 T HN 0.457 nan 8.240 nan 0.000 0.540 398 H N -0.209 118.679 119.070 -0.303 0.000 2.652 398 H HA 0.284 4.840 4.556 0.000 0.000 0.274 398 H C -0.069 175.276 175.328 0.029 0.000 1.021 398 H CA -0.065 55.931 56.048 -0.087 0.000 1.187 398 H CB 0.804 30.512 29.762 -0.090 0.000 1.505 398 H HN 0.280 nan 8.280 nan 0.000 0.530 399 T N 1.331 115.980 114.554 0.158 0.000 2.977 399 T HA 0.152 4.502 4.350 0.000 0.000 0.346 399 T C 1.206 176.084 174.700 0.296 0.000 1.140 399 T CA -0.314 61.898 62.100 0.187 0.000 1.040 399 T CB 1.166 70.112 68.868 0.130 0.000 1.046 399 T HN 0.223 nan 8.240 nan 0.000 0.494 400 L N 1.865 123.246 121.223 0.264 0.000 2.043 400 L HA -0.211 4.129 4.340 0.000 0.000 0.212 400 L C 2.767 179.714 176.870 0.128 0.000 1.075 400 L CA 1.652 56.617 54.840 0.208 0.000 0.752 400 L CB -0.411 41.719 42.059 0.118 0.000 0.891 400 L HN 0.741 nan 8.230 nan 0.000 0.432 401 A N -0.513 122.374 122.820 0.112 0.000 2.125 401 A HA -0.194 4.126 4.320 0.000 0.000 0.219 401 A C 2.352 179.990 177.584 0.090 0.000 1.156 401 A CA 1.616 53.700 52.037 0.078 0.000 0.671 401 A CB -0.545 18.495 19.000 0.066 0.000 0.794 401 A HN 0.604 nan 8.150 nan 0.000 0.459 402 S N -0.625 115.162 115.700 0.145 0.000 2.515 402 S HA 0.073 4.543 4.470 0.000 0.000 0.231 402 S C 0.913 175.597 174.600 0.139 0.000 0.987 402 S CA 0.753 59.045 58.200 0.152 0.000 0.936 402 S CB -0.707 62.614 63.200 0.201 0.000 0.766 402 S HN 0.911 nan 8.310 nan 0.000 0.528 403 L N 0.048 121.325 121.223 0.091 0.000 4.089 403 L HA -0.176 4.164 4.340 0.000 0.000 0.408 403 L C 1.659 178.540 176.870 0.018 0.000 1.184 403 L CA 0.786 55.626 54.840 -0.001 0.000 0.947 403 L CB -2.782 39.286 42.059 0.016 0.000 2.066 403 L HN 0.754 nan 8.230 nan 0.000 0.851 404 W N 0.618 121.929 121.300 0.018 0.000 2.342 404 W HA -0.173 4.487 4.660 0.000 0.000 0.297 404 W C 1.705 178.239 176.519 0.024 0.000 1.213 404 W CA 1.452 58.806 57.345 0.015 0.000 1.251 404 W CB -0.753 28.701 29.460 -0.008 0.000 1.136 404 W HN 0.270 nan 8.180 nan 0.000 0.526 405 K N 0.812 120.668 120.400 -0.907 0.000 2.097 405 K HA -0.160 4.160 4.320 0.000 0.000 0.206 405 K C 1.671 178.097 176.600 -0.290 0.000 1.049 405 K CA 2.020 57.793 56.287 -0.857 0.000 0.933 405 K CB -0.403 31.500 32.500 -0.995 0.000 0.717 405 K HN 0.142 nan 8.250 nan 0.000 0.442 406 D N 0.552 120.837 120.400 -0.191 0.000 2.144 406 D HA -0.135 4.505 4.640 0.000 0.000 0.199 406 D C 2.016 178.325 176.300 0.015 0.000 0.984 406 D CA 1.041 55.001 54.000 -0.068 0.000 0.834 406 D CB 0.010 40.785 40.800 -0.042 0.000 0.955 406 D HN 0.222 nan 8.370 nan 0.000 0.465 407 R N 0.816 121.351 120.500 0.059 0.000 2.075 407 R HA -0.017 4.323 4.340 0.000 0.000 0.232 407 R C 2.421 178.824 176.300 0.172 0.000 1.126 407 R CA 1.008 57.185 56.100 0.128 0.000 0.963 407 R CB -0.180 30.217 30.300 0.162 0.000 0.858 407 R HN 0.064 nan 8.270 nan 0.000 0.435 408 A N 0.685 123.616 122.820 0.186 0.000 1.855 408 A HA -0.125 4.195 4.320 0.000 0.000 0.215 408 A C 2.272 179.977 177.584 0.203 0.000 1.191 408 A CA 1.367 53.547 52.037 0.238 0.000 0.613 408 A CB -0.858 18.322 19.000 0.299 0.000 0.829 408 A HN 0.188 nan 8.150 nan 0.000 0.442 409 V N -0.087 119.895 119.914 0.113 0.000 2.469 409 V HA -0.224 3.896 4.120 0.000 0.000 0.251 409 V C 2.549 178.705 176.094 0.103 0.000 1.064 409 V CA 2.927 65.281 62.300 0.090 0.000 1.066 409 V CB -0.814 31.014 31.823 0.008 0.000 0.667 409 V HN 0.642 nan 8.190 nan 0.000 0.461 410 T N -0.352 114.268 114.554 0.110 0.000 2.821 410 T HA -0.108 4.242 4.350 0.000 0.000 0.267 410 T C 1.772 176.562 174.700 0.151 0.000 1.046 410 T CA 1.414 63.584 62.100 0.118 0.000 1.139 410 T CB -0.201 68.736 68.868 0.115 0.000 0.871 410 T HN 0.520 nan 8.240 nan 0.000 0.454 411 E N 0.923 121.257 120.200 0.224 0.000 2.150 411 E HA 0.032 4.382 4.350 0.000 0.000 0.193 411 E C 2.176 178.922 176.600 0.243 0.000 0.985 411 E CA 0.611 57.204 56.400 0.321 0.000 0.814 411 E CB -0.308 29.665 29.700 0.456 0.000 0.752 411 E HN 0.533 nan 8.360 nan 0.000 0.466 412 I N 1.511 122.233 120.570 0.253 0.000 2.252 412 I HA -0.235 3.935 4.170 0.000 0.000 0.245 412 I C 2.035 178.218 176.117 0.109 0.000 1.102 412 I CA 0.726 62.177 61.300 0.253 0.000 1.385 412 I CB -0.263 37.956 38.000 0.365 0.000 1.064 412 I HN 0.010 nan 8.210 nan 0.000 0.414 413 N N 0.603 119.347 118.700 0.073 0.000 2.166 413 N HA -0.122 4.619 4.740 0.000 0.000 0.186 413 N C 1.945 177.445 175.510 -0.016 0.000 1.019 413 N CA 1.127 54.181 53.050 0.008 0.000 0.856 413 N CB -0.284 38.212 38.487 0.014 0.000 0.993 413 N HN 0.144 nan 8.380 nan 0.000 0.426 414 V N 1.494 121.393 119.914 -0.026 0.000 2.343 414 V HA -0.183 3.937 4.120 0.000 0.000 0.247 414 V C 2.394 178.364 176.094 -0.207 0.000 1.051 414 V CA 1.721 63.952 62.300 -0.115 0.000 1.036 414 V CB -0.884 30.840 31.823 -0.166 0.000 0.654 414 V HN 0.278 nan 8.190 nan 0.000 0.451 415 A N -0.173 122.477 122.820 -0.284 0.000 1.877 415 A HA -0.166 4.154 4.320 0.000 0.000 0.216 415 A C 2.406 179.931 177.584 -0.097 0.000 1.186 415 A CA 2.146 53.959 52.037 -0.374 0.000 0.620 415 A CB -0.729 17.729 19.000 -0.903 0.000 0.822 415 A HN 0.322 nan 8.150 nan 0.000 0.443 416 V N 0.184 120.085 119.914 -0.021 0.000 2.255 416 V HA -0.286 3.834 4.120 0.000 0.000 0.247 416 V C 2.608 178.734 176.094 0.053 0.000 1.051 416 V CA 2.128 64.460 62.300 0.054 0.000 1.018 416 V CB -0.845 30.933 31.823 -0.074 0.000 0.641 416 V HN 0.573 nan 8.190 nan 0.000 0.445 417 L N -0.612 120.599 121.223 -0.021 0.000 2.017 417 L HA -0.224 4.116 4.340 0.000 0.000 0.208 417 L C 2.641 179.541 176.870 0.050 0.000 1.073 417 L CA 2.157 56.992 54.840 -0.008 0.000 0.745 417 L CB -0.993 41.058 42.059 -0.014 0.000 0.894 417 L HN 0.503 nan 8.230 nan 0.000 0.432 418 H N -0.070 118.958 119.070 -0.070 0.000 2.319 418 H HA -0.157 4.399 4.556 0.000 0.000 0.299 418 H C 2.283 177.595 175.328 -0.028 0.000 1.092 418 H CA 1.898 57.893 56.048 -0.088 0.000 1.302 418 H CB 0.335 29.977 29.762 -0.200 0.000 1.373 418 H HN 0.260 nan 8.280 nan 0.000 0.497 419 S N 0.225 115.846 115.700 -0.132 0.000 2.356 419 S HA -0.122 4.348 4.470 0.000 0.000 0.223 419 S C 1.979 176.536 174.600 -0.073 0.000 1.032 419 S CA 1.268 59.385 58.200 -0.138 0.000 1.005 419 S CB -0.511 62.705 63.200 0.027 0.000 0.867 419 S HN 0.293 nan 8.310 nan 0.000 0.449 420 F N 1.999 121.879 119.950 -0.117 0.000 2.134 420 F HA -0.117 4.410 4.527 0.000 0.000 0.299 420 F C 2.670 178.409 175.800 -0.101 0.000 1.097 420 F CA 1.214 59.166 58.000 -0.080 0.000 1.264 420 F CB -0.642 38.328 39.000 -0.050 0.000 1.001 420 F HN 0.213 nan 8.300 nan 0.000 0.479 421 Q N -0.123 119.717 119.800 0.068 0.000 2.050 421 Q HA -0.250 4.090 4.340 0.000 0.000 0.202 421 Q C 2.242 178.190 176.000 -0.086 0.000 0.980 421 Q CA 1.787 57.580 55.803 -0.017 0.000 0.840 421 Q CB -0.310 28.412 28.738 -0.028 0.000 0.898 421 Q HN 0.332 nan 8.270 nan 0.000 0.424 422 K N 0.837 121.126 120.400 -0.185 0.000 2.097 422 K HA -0.187 4.133 4.320 0.000 0.000 0.206 422 K C 1.439 177.957 176.600 -0.137 0.000 1.049 422 K CA 1.321 57.486 56.287 -0.202 0.000 0.933 422 K CB 0.146 32.428 32.500 -0.364 0.000 0.717 422 K HN 0.172 nan 8.250 nan 0.000 0.442 423 Q N 0.486 120.202 119.800 -0.140 0.000 2.322 423 Q HA 0.096 4.436 4.340 0.000 0.000 0.203 423 Q C -0.674 175.267 176.000 -0.098 0.000 0.923 423 Q CA -0.173 55.556 55.803 -0.124 0.000 0.949 423 Q CB 0.391 29.030 28.738 -0.165 0.000 1.039 423 Q HN 0.298 nan 8.270 nan 0.000 0.496 424 N N -0.193 118.463 118.700 -0.073 0.000 2.727 424 N HA -0.151 4.589 4.740 0.000 0.000 0.249 424 N C -1.304 174.184 175.510 -0.037 0.000 1.048 424 N CA 0.598 53.618 53.050 -0.051 0.000 0.714 424 N CB -1.386 37.071 38.487 -0.050 0.000 0.959 424 N HN 0.035 nan 8.380 nan 0.000 0.544 425 V N 0.873 120.780 119.914 -0.013 0.000 2.417 425 V HA 0.237 4.357 4.120 0.000 0.000 0.291 425 V C 0.857 177.064 176.094 0.189 0.000 1.024 425 V CA -0.637 61.693 62.300 0.050 0.000 0.861 425 V CB 2.000 33.768 31.823 -0.091 0.000 0.985 425 V HN 0.170 nan 8.190 nan 0.000 0.436 426 T N 6.567 121.181 114.554 0.099 0.000 2.905 426 T HA 0.381 4.731 4.350 0.000 0.000 0.299 426 T C -0.234 174.519 174.700 0.088 0.000 1.024 426 T CA 0.951 63.032 62.100 -0.032 0.000 1.151 426 T CB 0.016 68.742 68.868 -0.237 0.000 0.987 426 T HN 0.580 nan 8.240 nan 0.000 0.535 427 I N 2.479 123.015 120.570 -0.057 0.000 2.882 427 I HA 0.554 4.724 4.170 0.000 0.000 0.298 427 I C -1.665 174.421 176.117 -0.051 0.000 1.462 427 I CA -1.044 60.224 61.300 -0.055 0.000 1.000 427 I CB 2.062 39.898 38.000 -0.272 0.000 1.340 427 I HN 0.638 nan 8.210 nan 0.000 0.462 428 M N 6.256 125.887 119.600 0.052 0.000 2.327 428 M HA 0.375 4.855 4.480 0.000 0.000 0.298 428 M C -1.444 174.901 176.300 0.075 0.000 1.065 428 M CA -0.642 54.711 55.300 0.088 0.000 0.916 428 M CB 1.658 34.396 32.600 0.230 0.000 1.630 428 M HN 0.604 nan 8.290 nan 0.000 0.442 429 D N 3.506 123.946 120.400 0.068 0.000 2.357 429 D HA 0.007 4.647 4.640 0.000 0.000 0.242 429 D C 0.645 177.010 176.300 0.109 0.000 1.153 429 D CA -0.127 53.936 54.000 0.105 0.000 0.918 429 D CB 0.568 41.423 40.800 0.091 0.000 1.181 429 D HN 0.848 nan 8.370 nan 0.000 0.435 430 H N 0.588 119.609 119.070 -0.082 0.000 2.457 430 H HA -0.138 4.418 4.556 0.000 0.000 0.294 430 H C 1.327 176.557 175.328 -0.163 0.000 1.064 430 H CA 1.206 57.163 56.048 -0.151 0.000 1.330 430 H CB -0.698 28.918 29.762 -0.243 0.000 1.395 430 H HN 0.537 nan 8.280 nan 0.000 0.541 431 H N 0.903 119.772 119.070 -0.336 0.000 2.299 431 H HA -0.036 4.520 4.556 0.000 0.000 0.302 431 H C 1.969 177.266 175.328 -0.053 0.000 1.078 431 H CA 1.942 57.866 56.048 -0.208 0.000 1.323 431 H CB -0.287 29.326 29.762 -0.248 0.000 1.381 431 H HN 0.385 nan 8.280 nan 0.000 0.498 432 T N 1.273 115.882 114.554 0.091 0.000 2.746 432 T HA -0.104 4.246 4.350 0.000 0.000 0.267 432 T C 2.340 177.106 174.700 0.109 0.000 1.039 432 T CA 1.175 63.329 62.100 0.090 0.000 1.142 432 T CB -0.402 68.512 68.868 0.078 0.000 0.866 432 T HN 0.431 nan 8.240 nan 0.000 0.444 433 A N 1.457 124.343 122.820 0.111 0.000 1.877 433 A HA -0.101 4.219 4.320 0.000 0.000 0.216 433 A C 2.633 180.308 177.584 0.152 0.000 1.186 433 A CA 1.973 54.093 52.037 0.139 0.000 0.620 433 A CB -0.940 18.134 19.000 0.123 0.000 0.822 433 A HN 0.441 nan 8.150 nan 0.000 0.443 434 S N -0.238 115.530 115.700 0.113 0.000 2.370 434 S HA -0.182 4.288 4.470 0.000 0.000 0.226 434 S C 1.853 176.565 174.600 0.186 0.000 1.033 434 S CA 1.566 59.849 58.200 0.138 0.000 1.011 434 S CB -0.348 62.901 63.200 0.080 0.000 0.852 434 S HN 0.693 nan 8.310 nan 0.000 0.457 435 E N 0.716 121.002 120.200 0.144 0.000 2.110 435 E HA -0.110 4.240 4.350 0.000 0.000 0.193 435 E C 2.269 178.948 176.600 0.132 0.000 0.988 435 E CA 1.067 57.543 56.400 0.127 0.000 0.804 435 E CB -0.204 29.554 29.700 0.096 0.000 0.745 435 E HN 0.408 nan 8.360 nan 0.000 0.458 436 S N 0.323 116.113 115.700 0.150 0.000 2.368 436 S HA -0.177 4.293 4.470 0.000 0.000 0.225 436 S C 1.754 176.460 174.600 0.175 0.000 1.030 436 S CA 0.922 59.212 58.200 0.151 0.000 0.999 436 S CB -0.277 63.023 63.200 0.166 0.000 0.844 436 S HN 0.320 nan 8.310 nan 0.000 0.459 437 F N 1.676 121.685 119.950 0.099 0.000 2.186 437 F HA 0.013 4.540 4.527 0.000 0.000 0.299 437 F C 2.103 177.990 175.800 0.145 0.000 1.090 437 F CA 1.360 59.433 58.000 0.122 0.000 1.307 437 F CB -0.273 38.778 39.000 0.086 0.000 1.019 437 F HN 0.194 nan 8.300 nan 0.000 0.489 438 M N 0.197 119.867 119.600 0.117 0.000 2.117 438 M HA -0.181 4.299 4.480 0.000 0.000 0.262 438 M C 2.203 178.472 176.300 -0.052 0.000 1.065 438 M CA 1.547 56.870 55.300 0.038 0.000 1.114 438 M CB -1.193 31.475 32.600 0.114 0.000 1.361 438 M HN 0.087 nan 8.290 nan 0.000 0.408 439 K N -0.336 120.059 120.400 -0.008 0.000 2.026 439 K HA -0.201 4.119 4.320 0.000 0.000 0.208 439 K C 2.007 178.576 176.600 -0.052 0.000 1.048 439 K CA 1.837 58.117 56.287 -0.010 0.000 0.929 439 K CB -0.637 31.883 32.500 0.032 0.000 0.713 439 K HN 0.399 nan 8.250 nan 0.000 0.439 440 H N -0.183 118.784 119.070 -0.173 0.000 2.353 440 H HA -0.071 4.485 4.556 0.000 0.000 0.300 440 H C 2.019 177.174 175.328 -0.287 0.000 1.090 440 H CA 2.460 58.378 56.048 -0.215 0.000 1.327 440 H CB -0.177 29.427 29.762 -0.263 0.000 1.383 440 H HN 0.297 nan 8.280 nan 0.000 0.508 441 M N -0.146 119.128 119.600 -0.542 0.000 2.108 441 M HA -0.241 4.239 4.480 0.000 0.000 0.261 441 M C 2.119 178.345 176.300 -0.124 0.000 1.066 441 M CA 2.025 57.085 55.300 -0.400 0.000 1.107 441 M CB 0.020 32.428 32.600 -0.319 0.000 1.356 441 M HN 0.349 nan 8.290 nan 0.000 0.406 442 Q N 0.430 120.159 119.800 -0.119 0.000 2.124 442 Q HA -0.140 4.200 4.340 0.000 0.000 0.202 442 Q C 1.719 177.686 176.000 -0.055 0.000 0.977 442 Q CA 1.938 57.709 55.803 -0.053 0.000 0.850 442 Q CB -0.153 28.549 28.738 -0.059 0.000 0.901 442 Q HN 0.569 nan 8.270 nan 0.000 0.429 443 N N 0.092 118.717 118.700 -0.125 0.000 2.120 443 N HA -0.149 4.591 4.740 0.000 0.000 0.188 443 N C 1.428 176.846 175.510 -0.154 0.000 1.024 443 N CA 1.014 53.996 53.050 -0.113 0.000 0.852 443 N CB -0.111 38.319 38.487 -0.095 0.000 1.003 443 N HN 0.244 nan 8.380 nan 0.000 0.424 444 E N 0.144 120.165 120.200 -0.298 0.000 2.077 444 E HA -0.127 4.223 4.350 0.000 0.000 0.193 444 E C 1.852 178.312 176.600 -0.233 0.000 0.989 444 E CA 0.783 56.984 56.400 -0.333 0.000 0.800 444 E CB -0.436 28.958 29.700 -0.510 0.000 0.746 444 E HN 0.498 nan 8.360 nan 0.000 0.452 445 Y N 1.020 121.229 120.300 -0.153 0.000 2.274 445 Y HA -0.119 4.431 4.550 0.000 0.000 0.290 445 Y C 2.544 178.399 175.900 -0.075 0.000 1.145 445 Y CA 1.246 59.294 58.100 -0.087 0.000 1.203 445 Y CB 0.021 38.434 38.460 -0.079 0.000 0.984 445 Y HN -0.020 nan 8.280 nan 0.000 0.533 446 R N -0.837 119.686 120.500 0.037 0.000 2.062 446 R HA -0.036 4.304 4.340 0.000 0.000 0.226 446 R C 2.510 178.798 176.300 -0.020 0.000 1.125 446 R CA 0.989 57.091 56.100 0.004 0.000 0.966 446 R CB -0.534 29.762 30.300 -0.007 0.000 0.861 446 R HN 0.263 nan 8.270 nan 0.000 0.433 447 A N 1.835 124.628 122.820 -0.045 0.000 1.898 447 A HA -0.159 4.161 4.320 0.000 0.000 0.216 447 A C 1.730 179.280 177.584 -0.058 0.000 1.181 447 A CA 1.518 53.529 52.037 -0.043 0.000 0.620 447 A CB -0.137 18.835 19.000 -0.047 0.000 0.819 447 A HN 0.420 nan 8.150 nan 0.000 0.442 448 R N -2.760 117.679 120.500 -0.101 0.000 2.563 448 R HA 0.398 4.738 4.340 0.000 0.000 0.443 448 R C 0.664 176.896 176.300 -0.114 0.000 0.956 448 R CA 0.354 56.396 56.100 -0.097 0.000 1.141 448 R CB -0.766 29.468 30.300 -0.110 0.000 1.553 448 R HN 0.859 nan 8.270 nan 0.000 0.577 449 G N 0.059 108.787 108.800 -0.120 0.000 2.295 449 G HA2 -0.044 3.916 3.960 0.000 0.000 0.287 449 G HA3 -0.044 3.916 3.960 0.000 0.000 0.287 449 G C 0.244 174.950 174.900 -0.323 0.000 1.055 449 G CA 0.259 45.295 45.100 -0.106 0.000 0.922 449 G HN 0.991 nan 8.290 nan 0.000 0.503 450 G N -2.578 105.748 108.800 -0.791 0.000 2.340 450 G HA2 0.549 4.509 3.960 0.000 0.000 0.300 450 G HA3 0.549 4.509 3.960 0.000 0.000 0.300 450 G C -0.864 173.607 174.900 -0.715 0.000 1.488 450 G CA 0.226 44.731 45.100 -0.993 0.000 0.878 450 G HN 1.834 nan 8.290 nan 0.000 0.618 451 C N 2.736 121.777 119.300 -0.432 0.000 2.982 451 C HA 0.641 5.101 4.460 0.000 0.000 0.372 451 C C -2.504 172.425 174.990 -0.102 0.000 1.061 451 C CA -1.212 57.697 59.018 -0.183 0.000 1.309 451 C CB 0.962 28.646 27.740 -0.092 0.000 1.766 451 C HN 0.687 nan 8.230 nan 0.000 0.504 452 P HA 0.372 nan 4.420 nan 0.000 0.267 452 P C -0.593 176.608 177.300 -0.165 0.000 1.209 452 P CA 0.683 63.407 63.100 -0.627 0.000 0.763 452 P CB 1.001 32.208 31.700 -0.821 0.000 0.816 453 A N 2.770 125.554 122.820 -0.061 0.000 2.488 453 A HA 0.404 4.724 4.320 0.000 0.000 0.298 453 A C -1.012 176.610 177.584 0.064 0.000 1.044 453 A CA -0.563 51.516 52.037 0.069 0.000 0.693 453 A CB 1.286 20.439 19.000 0.256 0.000 1.272 453 A HN 0.442 nan 8.150 nan 0.000 0.402 454 D N 2.106 122.527 120.400 0.035 0.000 2.467 454 D HA 0.136 4.776 4.640 0.000 0.000 0.220 454 D C 0.825 177.236 176.300 0.184 0.000 1.103 454 D CA -0.498 53.560 54.000 0.097 0.000 0.886 454 D CB 0.333 41.137 40.800 0.008 0.000 1.025 454 D HN 0.607 nan 8.370 nan 0.000 0.514 455 W N 4.341 125.663 121.300 0.037 0.000 2.304 455 W HA -0.245 4.415 4.660 0.000 0.000 0.315 455 W C 1.770 178.319 176.519 0.051 0.000 1.233 455 W CA 1.307 58.665 57.345 0.022 0.000 1.261 455 W CB -0.105 29.351 29.460 -0.007 0.000 1.150 455 W HN 0.481 nan 8.180 nan 0.000 0.494 456 I N -1.062 119.817 120.570 0.515 0.000 2.335 456 I HA -0.312 3.858 4.170 0.000 0.000 0.251 456 I C 1.717 177.978 176.117 0.241 0.000 1.129 456 I CA 1.442 62.991 61.300 0.415 0.000 1.402 456 I CB -0.594 37.651 38.000 0.409 0.000 1.069 456 I HN 0.117 nan 8.210 nan 0.000 0.424 457 W N -0.074 121.216 121.300 -0.017 0.000 2.683 457 W HA 0.164 4.824 4.660 0.000 0.000 0.267 457 W C 2.193 178.611 176.519 -0.168 0.000 1.243 457 W CA 0.143 57.447 57.345 -0.069 0.000 1.380 457 W CB -0.340 29.099 29.460 -0.035 0.000 1.063 457 W HN -0.066 nan 8.180 nan 0.000 0.599 458 L N -0.188 121.013 121.223 -0.037 0.000 2.217 458 L HA -0.014 4.326 4.340 0.000 0.000 0.211 458 L C 0.635 177.315 176.870 -0.317 0.000 1.107 458 L CA 0.400 55.089 54.840 -0.252 0.000 0.783 458 L CB -0.927 40.879 42.059 -0.422 0.000 0.919 458 L HN -0.397 nan 8.230 nan 0.000 0.442 459 V N 1.497 121.149 119.914 -0.437 0.000 2.470 459 V HA 0.120 4.240 4.120 0.000 0.000 0.276 459 V C -1.846 174.090 176.094 -0.263 0.000 1.040 459 V CA -1.300 60.728 62.300 -0.453 0.000 1.008 459 V CB 0.458 31.796 31.823 -0.808 0.000 0.990 459 V HN 0.036 nan 8.190 nan 0.000 0.477 460 P HA 0.076 nan 4.420 nan 0.000 0.267 460 P C -1.723 175.473 177.300 -0.173 0.000 1.201 460 P CA -0.929 62.073 63.100 -0.163 0.000 0.775 460 P CB 0.067 31.710 31.700 -0.095 0.000 0.854 461 P HA -0.071 nan 4.420 nan 0.000 0.231 461 P C -0.051 177.159 177.300 -0.151 0.000 1.158 461 P CA 1.088 64.082 63.100 -0.176 0.000 0.763 461 P CB 0.083 31.665 31.700 -0.197 0.000 0.805 462 V N -6.542 113.268 119.914 -0.174 0.000 3.049 462 V HA 0.577 4.697 4.120 0.000 0.000 0.309 462 V C 0.355 176.421 176.094 -0.047 0.000 1.148 462 V CA -0.956 61.274 62.300 -0.117 0.000 0.990 462 V CB 1.365 33.105 31.823 -0.138 0.000 1.039 462 V HN -0.125 nan 8.190 nan 0.000 0.430 463 S N 1.115 116.813 115.700 -0.003 0.000 3.641 463 S HA -0.190 4.280 4.470 0.000 0.000 0.346 463 S C 1.574 176.153 174.600 -0.035 0.000 1.074 463 S CA 1.207 59.423 58.200 0.027 0.000 1.026 463 S CB -1.536 61.754 63.200 0.150 0.000 0.908 463 S HN 2.068 nan 8.310 nan 0.000 0.479 464 G N 2.464 111.216 108.800 -0.079 0.000 2.764 464 G HA2 -0.367 3.593 3.960 0.000 0.000 0.219 464 G HA3 -0.367 3.593 3.960 0.000 0.000 0.219 464 G C 1.487 176.178 174.900 -0.348 0.000 1.259 464 G CA 1.791 46.827 45.100 -0.106 0.000 0.793 464 G HN 1.369 nan 8.290 nan 0.000 0.633 465 S N 0.170 115.344 115.700 -0.877 0.000 2.507 465 S HA 0.062 4.532 4.470 0.000 0.000 0.235 465 S C 2.072 176.591 174.600 -0.135 0.000 0.988 465 S CA 0.779 58.356 58.200 -1.038 0.000 0.944 465 S CB -0.081 62.422 63.200 -1.162 0.000 0.762 465 S HN 0.229 nan 8.310 nan 0.000 0.526 466 I N 2.876 123.407 120.570 -0.066 0.000 2.928 466 I HA 0.029 4.199 4.170 0.000 0.000 0.266 466 I C 1.369 177.575 176.117 0.148 0.000 1.234 466 I CA 0.681 62.026 61.300 0.076 0.000 1.483 466 I CB -1.985 36.081 38.000 0.111 0.000 1.097 466 I HN 0.496 nan 8.210 nan 0.000 0.455 467 T N -0.862 113.760 114.554 0.113 0.000 2.907 467 T HA 0.327 4.677 4.350 0.000 0.000 0.284 467 T C -1.393 173.448 174.700 0.236 0.000 1.004 467 T CA -1.737 60.447 62.100 0.140 0.000 1.063 467 T CB 2.210 71.105 68.868 0.045 0.000 0.992 467 T HN -0.074 nan 8.240 nan 0.000 0.483 468 P HA -0.073 nan 4.420 nan 0.000 0.221 468 P C 1.838 179.326 177.300 0.313 0.000 1.150 468 P CA 0.957 64.244 63.100 0.312 0.000 0.800 468 P CB -0.318 31.507 31.700 0.209 0.000 0.787 469 V N -3.369 116.669 119.914 0.206 0.000 2.594 469 V HA -0.213 3.907 4.120 0.000 0.000 0.253 469 V C 2.346 178.495 176.094 0.091 0.000 1.069 469 V CA 1.354 63.741 62.300 0.144 0.000 1.082 469 V CB -2.261 29.572 31.823 0.016 0.000 0.680 469 V HN -0.110 nan 8.190 nan 0.000 0.469 470 F N 2.029 121.910 119.950 -0.115 0.000 2.161 470 F HA -0.163 4.365 4.527 0.000 0.000 0.300 470 F C 2.431 178.335 175.800 0.174 0.000 1.089 470 F CA 2.270 60.206 58.000 -0.107 0.000 1.282 470 F CB -0.382 38.451 39.000 -0.277 0.000 1.010 470 F HN 0.302 nan 8.300 nan 0.000 0.485 471 H N -0.969 118.445 119.070 0.573 0.000 2.539 471 H HA 0.096 4.652 4.556 0.000 0.000 0.267 471 H C 0.342 175.908 175.328 0.396 0.000 0.982 471 H CA 0.266 56.599 56.048 0.474 0.000 1.146 471 H CB -0.195 29.819 29.762 0.420 0.000 1.382 471 H HN 0.258 nan 8.280 nan 0.000 0.577 472 Q N 1.911 121.979 119.800 0.447 0.000 2.303 472 Q HA 0.151 4.492 4.340 0.000 0.000 0.257 472 Q C -0.585 175.642 176.000 0.378 0.000 0.941 472 Q CA -0.353 55.667 55.803 0.361 0.000 0.931 472 Q CB 0.800 29.718 28.738 0.299 0.000 1.215 472 Q HN 0.226 nan 8.270 nan 0.000 0.437 473 E N 3.530 123.904 120.200 0.290 0.000 2.373 473 E HA 0.292 4.642 4.350 0.000 0.000 0.267 473 E C -0.558 176.177 176.600 0.224 0.000 1.032 473 E CA 0.206 56.738 56.400 0.220 0.000 0.889 473 E CB 0.827 30.650 29.700 0.205 0.000 0.984 473 E HN 0.598 nan 8.360 nan 0.000 0.425 474 M N 2.243 121.977 119.600 0.223 0.000 2.550 474 M HA 0.366 4.846 4.480 0.000 0.000 0.292 474 M C -1.415 175.002 176.300 0.195 0.000 1.221 474 M CA -1.095 54.354 55.300 0.248 0.000 0.873 474 M CB 1.587 34.375 32.600 0.313 0.000 1.727 474 M HN 0.171 nan 8.290 nan 0.000 0.459 475 L N 2.324 123.679 121.223 0.220 0.000 2.305 475 L HA 0.469 4.809 4.340 0.000 0.000 0.284 475 L C -0.618 176.340 176.870 0.148 0.000 1.013 475 L CA -0.253 54.724 54.840 0.229 0.000 0.819 475 L CB 1.223 43.491 42.059 0.349 0.000 1.227 475 L HN 0.563 nan 8.230 nan 0.000 0.417 476 N N 3.844 122.619 118.700 0.126 0.000 2.457 476 N HA 0.484 5.224 4.740 0.000 0.000 0.250 476 N C -1.454 174.113 175.510 0.096 0.000 0.982 476 N CA -0.151 52.908 53.050 0.016 0.000 0.941 476 N CB 0.410 38.924 38.487 0.044 0.000 1.120 476 N HN 0.397 nan 8.380 nan 0.000 0.505 477 Y N -0.046 120.271 120.300 0.029 0.000 2.597 477 Y HA 0.638 5.188 4.550 0.000 0.000 0.340 477 Y C -1.120 174.743 175.900 -0.061 0.000 1.097 477 Y CA -1.376 56.716 58.100 -0.012 0.000 1.037 477 Y CB 0.687 39.154 38.460 0.011 0.000 1.305 477 Y HN -0.025 nan 8.280 nan 0.000 0.463 478 V N 4.078 123.991 119.914 -0.001 0.000 2.350 478 V HA 0.364 4.484 4.120 0.000 0.000 0.276 478 V C 0.151 176.127 176.094 -0.197 0.000 1.028 478 V CA -0.439 61.642 62.300 -0.365 0.000 0.860 478 V CB 0.461 31.866 31.823 -0.697 0.000 0.990 478 V HN 0.736 nan 8.190 nan 0.000 0.453 479 L N 2.894 124.059 121.223 -0.098 0.000 2.874 479 L HA 0.736 5.076 4.340 0.000 0.000 0.229 479 L C 0.357 177.220 176.870 -0.012 0.000 1.200 479 L CA -0.451 54.401 54.840 0.019 0.000 0.976 479 L CB 1.397 43.516 42.059 0.100 0.000 1.887 479 L HN 0.626 nan 8.230 nan 0.000 0.543 480 S N -0.817 114.910 115.700 0.046 0.000 2.566 480 S HA 0.495 4.965 4.470 0.000 0.000 0.273 480 S C -2.712 171.935 174.600 0.079 0.000 1.157 480 S CA -1.034 57.202 58.200 0.058 0.000 0.938 480 S CB 1.817 65.034 63.200 0.029 0.000 1.087 480 S HN 0.139 nan 8.310 nan 0.000 0.474 481 P HA 0.412 nan 4.420 nan 0.000 0.269 481 P C -1.269 176.005 177.300 -0.045 0.000 1.217 481 P CA 0.026 63.098 63.100 -0.047 0.000 0.783 481 P CB 0.198 31.808 31.700 -0.150 0.000 0.898 482 F N 0.564 120.314 119.950 -0.334 0.000 2.665 482 F HA 0.393 4.920 4.527 0.000 0.000 0.308 482 F C -1.636 173.854 175.800 -0.516 0.000 1.112 482 F CA -0.736 56.983 58.000 -0.468 0.000 0.972 482 F CB 1.122 39.820 39.000 -0.503 0.000 1.295 482 F HN 0.155 nan 8.300 nan 0.000 0.440 483 Y N 4.706 124.524 120.300 -0.803 0.000 2.404 483 Y HA 0.432 4.982 4.550 0.000 0.000 0.344 483 Y C -0.856 174.735 175.900 -0.515 0.000 0.970 483 Y CA -0.672 57.147 58.100 -0.470 0.000 1.180 483 Y CB 0.271 38.455 38.460 -0.461 0.000 1.138 483 Y HN 0.379 nan 8.280 nan 0.000 0.510 484 Y N 1.219 121.581 120.300 0.103 0.000 2.488 484 Y HA 0.391 4.941 4.550 0.000 0.000 0.325 484 Y C -0.201 175.720 175.900 0.035 0.000 1.204 484 Y CA -1.038 57.117 58.100 0.092 0.000 1.229 484 Y CB 0.812 39.373 38.460 0.170 0.000 1.274 484 Y HN 0.403 nan 8.280 nan 0.000 0.493 485 Y N 0.495 120.964 120.300 0.281 0.000 2.289 485 Y HA 0.356 4.906 4.550 0.000 0.000 0.332 485 Y C 0.075 176.041 175.900 0.111 0.000 1.324 485 Y CA -1.034 57.149 58.100 0.138 0.000 1.478 485 Y CB 0.555 39.069 38.460 0.090 0.000 1.378 485 Y HN 0.442 nan 8.280 nan 0.000 0.558 486 Q N 0.218 120.144 119.800 0.210 0.000 2.544 486 Q HA 0.461 4.801 4.340 0.000 0.000 0.291 486 Q C -1.326 174.642 176.000 -0.053 0.000 1.068 486 Q CA -1.181 54.656 55.803 0.055 0.000 0.785 486 Q CB 2.585 31.327 28.738 0.007 0.000 1.481 486 Q HN 0.345 nan 8.270 nan 0.000 0.430 487 I N 1.857 122.358 120.570 -0.115 0.000 2.529 487 I HA 0.040 4.210 4.170 0.000 0.000 0.284 487 I C 0.151 176.041 176.117 -0.378 0.000 1.082 487 I CA 0.004 61.184 61.300 -0.199 0.000 1.406 487 I CB 0.421 38.318 38.000 -0.171 0.000 1.405 487 I HN 0.609 nan 8.210 nan 0.000 0.548 488 E N 8.499 128.371 120.200 -0.547 0.000 2.585 488 E HA -0.053 4.297 4.350 0.000 0.000 0.252 488 E C -1.360 174.537 176.600 -1.172 0.000 0.981 488 E CA -0.678 55.066 56.400 -1.093 0.000 0.943 488 E CB 0.037 28.869 29.700 -1.446 0.000 0.923 488 E HN 0.387 nan 8.360 nan 0.000 0.486 489 P HA -0.218 nan 4.420 nan 0.000 0.217 489 P C 0.743 177.453 177.300 -0.983 0.000 1.151 489 P CA 1.531 63.985 63.100 -1.077 0.000 0.849 489 P CB -0.128 30.649 31.700 -1.539 0.000 0.787 490 W N 0.901 121.712 121.300 -0.816 0.000 2.525 490 W HA 0.129 4.789 4.660 0.000 0.000 0.259 490 W C 1.642 178.145 176.519 -0.027 0.000 1.253 490 W CA 0.449 57.605 57.345 -0.314 0.000 1.262 490 W CB -1.382 28.064 29.460 -0.024 0.000 1.122 490 W HN -0.098 nan 8.180 nan 0.000 0.607 491 K N 0.304 120.548 120.400 -0.259 0.000 2.361 491 K HA 0.039 4.359 4.320 0.000 0.000 0.196 491 K C 1.772 178.342 176.600 -0.050 0.000 1.039 491 K CA 1.590 57.826 56.287 -0.085 0.000 1.001 491 K CB -0.025 32.360 32.500 -0.192 0.000 0.795 491 K HN 0.354 nan 8.250 nan 0.000 0.495 492 T N -3.433 111.062 114.554 -0.098 0.000 2.964 492 T HA 0.005 4.355 4.350 0.000 0.000 0.249 492 T C 0.513 175.209 174.700 -0.007 0.000 1.000 492 T CA -0.304 61.763 62.100 -0.055 0.000 0.992 492 T CB -0.296 68.513 68.868 -0.098 0.000 1.087 492 T HN 0.090 nan 8.240 nan 0.000 0.489 493 H N 1.754 120.767 119.070 -0.095 0.000 3.070 493 H HA 0.352 4.908 4.556 0.000 0.000 0.313 493 H C -0.383 174.913 175.328 -0.053 0.000 0.997 493 H CA -0.406 55.585 56.048 -0.094 0.000 1.438 493 H CB -0.071 29.637 29.762 -0.090 0.000 1.455 493 H HN 0.342 nan 8.280 nan 0.000 0.575 494 I N 6.651 126.843 120.570 -0.629 0.000 2.306 494 I HA 0.058 4.228 4.170 0.000 0.000 0.288 494 I C -0.307 175.451 176.117 -0.598 0.000 1.036 494 I CA -0.606 60.472 61.300 -0.370 0.000 1.221 494 I CB 0.289 38.174 38.000 -0.191 0.000 1.385 494 I HN 0.556 nan 8.210 nan 0.000 0.472 495 W N 4.466 125.586 121.300 -0.301 0.000 2.193 495 W HA 0.238 4.898 4.660 0.000 0.000 0.338 495 W C 1.511 177.991 176.519 -0.066 0.000 1.310 495 W CA 0.198 57.486 57.345 -0.096 0.000 1.243 495 W CB 0.314 29.814 29.460 0.068 0.000 1.165 495 W HN 0.659 nan 8.180 nan 0.000 0.566 496 Q N 2.051 121.969 119.800 0.197 0.000 1.984 496 Q HA 0.157 4.498 4.340 0.000 0.000 0.196 496 Q C 0.857 176.933 176.000 0.127 0.000 0.975 496 Q CA 1.887 57.757 55.803 0.112 0.000 0.827 496 Q CB -1.081 27.705 28.738 0.081 0.000 0.894 496 Q HN 0.782 nan 8.270 nan 0.000 0.438 497 N N 0.000 118.795 118.700 0.158 0.000 1.763 497 N HA 0.000 4.740 4.740 0.000 0.000 0.220 497 N CA 0.000 53.111 53.050 0.102 0.000 0.885 497 N CB 0.000 38.523 38.487 0.059 0.000 1.341 497 N HN 0.000 nan 8.380 nan 0.000 0.667