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 3dwj_1_B DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSXXXXXX XXCLGSIMNP KSLTRGPRDK DATA SEQUENCE PTPLEELLPH AIEFINQYYG SFKEAKIEEH LARLEAVTKE IETTGTYQLT DATA SEQUENCE LDELIFATKM AHRNAPRCIG RIQWSNLQVF DARNCSTAQE MFQHICRHIL DATA SEQUENCE YATNNGNIRS AITVFPQRSD GKHDFRLWNS QLIRYAGYQM PDGTIRGDAA DATA SEQUENCE TLEFTQLCID LGWKPRYGRF DVLPLVLQAD GQDPEVFEIP PDLVLEVTME DATA SEQUENCE HPKYEWFQEL GLKWYALPAV ANMLLEVGGL EFPACPFNGW YMGTEIGVRD DATA SEQUENCE FCDTQRYNIL EEVGRRMGLE THTLASLWKD RAVTEINVAV LHSFQKQNVT DATA SEQUENCE IMDHHTASES FMKHMQNEYR ARGGCPADWI WLVPPVSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ IEPWKTHIWQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 77 Q HA 0.000 nan 4.340 nan 0.000 0.214 77 Q C 0.000 176.047 176.000 0.078 0.000 1.003 77 Q CA 0.000 55.748 55.803 -0.091 0.000 1.022 77 Q CB 0.000 28.545 28.738 -0.322 0.000 1.108 78 Y N -1.700 118.674 120.300 0.124 0.000 2.805 78 Y HA 0.915 5.464 4.550 -0.001 0.000 0.321 78 Y C -0.809 175.184 175.900 0.155 0.000 1.203 78 Y CA -1.490 56.724 58.100 0.189 0.000 1.165 78 Y CB 0.634 39.159 38.460 0.109 0.000 1.371 78 Y HN 0.182 nan 8.280 nan 0.000 0.564 79 V N 1.729 121.968 119.914 0.542 0.000 2.483 79 V HA 0.442 4.561 4.120 -0.001 0.000 0.297 79 V C -0.366 175.904 176.094 0.294 0.000 1.027 79 V CA -0.995 61.478 62.300 0.288 0.000 0.855 79 V CB 1.311 33.107 31.823 -0.045 0.000 0.995 79 V HN 0.742 nan 8.190 nan 0.000 0.424 80 R N 4.577 125.267 120.500 0.316 0.000 2.351 80 R HA 0.335 4.674 4.340 -0.001 0.000 0.318 80 R C -0.796 175.571 176.300 0.111 0.000 1.055 80 R CA -0.073 56.171 56.100 0.240 0.000 0.968 80 R CB 0.194 30.643 30.300 0.248 0.000 0.974 80 R HN 0.501 nan 8.270 nan 0.000 0.439 81 I N 4.300 124.894 120.570 0.039 0.000 2.441 81 I HA 0.300 4.469 4.170 -0.001 0.000 0.295 81 I C -0.240 175.871 176.117 -0.011 0.000 0.994 81 I CA -0.569 60.748 61.300 0.029 0.000 1.144 81 I CB 1.686 39.696 38.000 0.016 0.000 1.314 81 I HN 0.599 nan 8.210 nan 0.000 0.445 82 K N 5.346 125.770 120.400 0.040 0.000 2.324 82 K HA 0.349 4.668 4.320 -0.001 0.000 0.253 82 K C -0.584 176.024 176.600 0.014 0.000 0.932 82 K CA -0.622 55.628 56.287 -0.061 0.000 0.799 82 K CB 1.462 33.830 32.500 -0.220 0.000 1.154 82 K HN 0.527 nan 8.250 nan 0.000 0.425 83 N N 3.915 122.570 118.700 -0.076 0.000 2.422 83 N HA 0.106 4.846 4.740 -0.001 0.000 0.266 83 N C -0.329 175.147 175.510 -0.057 0.000 1.007 83 N CA -0.263 52.801 53.050 0.024 0.000 0.941 83 N CB 0.533 39.021 38.487 0.001 0.000 1.115 83 N HN 0.684 nan 8.380 nan 0.000 0.492 84 W N 2.297 123.600 121.300 0.005 0.000 2.737 84 W HA 0.296 4.956 4.660 -0.001 0.000 0.262 84 W C 2.122 178.645 176.519 0.008 0.000 1.282 84 W CA 0.251 57.602 57.345 0.009 0.000 1.386 84 W CB -0.087 29.381 29.460 0.013 0.000 1.099 84 W HN 0.716 nan 8.180 nan 0.000 0.621 85 G N -0.864 108.046 108.800 0.183 0.000 2.402 85 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.216 85 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.216 85 G C 1.608 176.540 174.900 0.053 0.000 1.162 85 G CA 1.426 46.590 45.100 0.106 0.000 0.777 85 G HN 0.234 nan 8.290 nan 0.000 0.539 86 S N -0.914 114.798 115.700 0.021 0.000 2.456 86 S HA 0.316 4.785 4.470 -0.001 0.000 0.224 86 S C 2.042 176.610 174.600 -0.053 0.000 1.035 86 S CA 1.242 59.435 58.200 -0.012 0.000 0.940 86 S CB -0.251 62.938 63.200 -0.017 0.000 0.799 86 S HN 1.422 nan 8.310 nan 0.000 0.508 87 G N 1.271 110.004 108.800 -0.111 0.000 2.225 87 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.254 87 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.254 87 G C -0.020 174.770 174.900 -0.183 0.000 0.988 87 G CA 0.459 45.450 45.100 -0.183 0.000 0.625 87 G HN 0.703 nan 8.290 nan 0.000 0.527 88 E N 0.826 120.946 120.200 -0.132 0.000 2.414 88 E HA 0.393 4.742 4.350 -0.001 0.000 0.263 88 E C 0.091 176.595 176.600 -0.159 0.000 1.000 88 E CA -0.194 56.132 56.400 -0.123 0.000 0.914 88 E CB 0.157 29.807 29.700 -0.084 0.000 0.948 88 E HN 0.427 nan 8.360 nan 0.000 0.444 89 I N 5.168 125.628 120.570 -0.183 0.000 2.493 89 I HA 0.327 4.496 4.170 -0.001 0.000 0.298 89 I C -0.258 175.668 176.117 -0.319 0.000 0.998 89 I CA -0.890 60.270 61.300 -0.233 0.000 1.137 89 I CB 1.338 39.194 38.000 -0.240 0.000 1.310 89 I HN 0.463 nan 8.210 nan 0.000 0.445 90 L N 4.916 125.951 121.223 -0.314 0.000 2.354 90 L HA 0.493 4.832 4.340 -0.001 0.000 0.264 90 L C -1.070 175.567 176.870 -0.389 0.000 1.008 90 L CA -0.791 53.846 54.840 -0.339 0.000 0.819 90 L CB 2.132 44.102 42.059 -0.148 0.000 1.339 90 L HN 0.548 nan 8.230 nan 0.000 0.420 91 H N 0.282 119.240 119.070 -0.186 0.000 2.638 91 H HA 0.180 4.735 4.556 -0.001 0.000 0.317 91 H C -1.042 174.252 175.328 -0.057 0.000 1.006 91 H CA -0.705 55.174 56.048 -0.282 0.000 1.222 91 H CB 1.679 31.000 29.762 -0.735 0.000 1.419 91 H HN 0.390 nan 8.280 nan 0.000 0.489 92 D N 2.844 123.344 120.400 0.167 0.000 2.336 92 D HA 0.027 4.666 4.640 -0.001 0.000 0.249 92 D C 0.356 176.893 176.300 0.394 0.000 1.213 92 D CA 0.104 54.233 54.000 0.215 0.000 0.870 92 D CB 1.222 42.106 40.800 0.140 0.000 1.076 92 D HN 0.599 nan 8.370 nan 0.000 0.483 93 T N 3.545 118.278 114.554 0.298 0.000 3.040 93 T HA -0.032 4.317 4.350 -0.001 0.000 0.252 93 T C 1.885 176.690 174.700 0.174 0.000 1.064 93 T CA -0.149 62.106 62.100 0.260 0.000 1.110 93 T CB 0.290 69.260 68.868 0.170 0.000 0.921 93 T HN 0.263 nan 8.240 nan 0.000 0.480 94 L N 2.055 123.382 121.223 0.173 0.000 2.083 94 L HA -0.124 4.215 4.340 -0.001 0.000 0.209 94 L C 2.409 179.331 176.870 0.087 0.000 1.083 94 L CA 1.794 56.700 54.840 0.111 0.000 0.752 94 L CB -0.500 41.621 42.059 0.103 0.000 0.899 94 L HN 0.546 nan 8.230 nan 0.000 0.433 95 H N -3.855 115.256 119.070 0.069 0.000 2.539 95 H HA -0.223 4.332 4.556 -0.001 0.000 0.292 95 H C 1.856 177.177 175.328 -0.011 0.000 1.069 95 H CA 1.813 57.874 56.048 0.021 0.000 1.244 95 H CB -0.691 29.069 29.762 -0.004 0.000 1.365 95 H HN 0.512 nan 8.280 nan 0.000 0.575 96 H N 0.684 119.431 119.070 -0.539 0.000 2.462 96 H HA 0.051 4.606 4.556 -0.001 0.000 0.292 96 H C 1.424 176.669 175.328 -0.137 0.000 1.049 96 H CA 0.985 56.819 56.048 -0.357 0.000 1.334 96 H CB 0.350 29.924 29.762 -0.313 0.000 1.404 96 H HN 0.274 nan 8.280 nan 0.000 0.544 97 K N 0.661 121.082 120.400 0.034 0.000 2.525 97 K HA 0.130 4.449 4.320 -0.001 0.000 0.192 97 K C 0.746 177.361 176.600 0.025 0.000 1.029 97 K CA 0.285 56.593 56.287 0.035 0.000 1.029 97 K CB 0.157 32.676 32.500 0.032 0.000 0.814 97 K HN 0.191 nan 8.250 nan 0.000 0.503 98 A N 2.175 125.004 122.820 0.014 0.000 2.536 98 A HA 0.061 4.380 4.320 -0.001 0.000 0.234 98 A C 0.580 178.175 177.584 0.017 0.000 1.076 98 A CA 0.204 52.254 52.037 0.021 0.000 0.769 98 A CB -0.023 18.994 19.000 0.029 0.000 1.020 98 A HN 0.342 nan 8.150 nan 0.000 0.508 99 T N -0.126 114.439 114.554 0.018 0.000 2.829 99 T HA 0.550 4.899 4.350 -0.001 0.000 0.282 99 T C 0.485 175.193 174.700 0.012 0.000 0.990 99 T CA -0.023 62.086 62.100 0.015 0.000 1.028 99 T CB 0.845 69.721 68.868 0.014 0.000 0.951 99 T HN 1.406 nan 8.240 nan 0.000 0.460 110 L N 5.405 126.635 121.223 0.012 0.000 2.376 110 L HA 0.354 4.693 4.340 -0.001 0.000 0.250 110 L C 1.248 178.143 176.870 0.042 0.000 1.335 110 L CA 0.780 55.633 54.840 0.021 0.000 1.214 110 L CB -0.433 41.639 42.059 0.022 0.000 1.395 110 L HN 0.878 nan 8.230 nan 0.000 0.424 111 G N -0.114 108.713 108.800 0.044 0.000 2.410 111 G HA2 0.388 4.347 3.960 -0.001 0.000 0.330 111 G HA3 0.388 4.347 3.960 -0.001 0.000 0.330 111 G C 0.674 175.623 174.900 0.082 0.000 1.142 111 G CA 0.287 45.424 45.100 0.063 0.000 0.902 111 G HN 0.599 nan 8.290 nan 0.000 0.491 112 S N -0.148 115.622 115.700 0.116 0.000 3.127 112 S HA -0.217 4.252 4.470 -0.001 0.000 0.281 112 S C 0.394 175.078 174.600 0.139 0.000 1.293 112 S CA 0.878 59.160 58.200 0.136 0.000 1.156 112 S CB -2.062 61.204 63.200 0.110 0.000 1.389 112 S HN 0.665 nan 8.310 nan 0.000 0.672 113 I N 1.230 121.879 120.570 0.131 0.000 2.577 113 I HA 0.372 4.541 4.170 -0.001 0.000 0.305 113 I C 1.677 177.870 176.117 0.127 0.000 0.986 113 I CA -0.780 60.608 61.300 0.148 0.000 1.189 113 I CB 1.434 39.505 38.000 0.118 0.000 1.355 113 I HN 0.310 nan 8.210 nan 0.000 0.476 114 M N 3.099 122.767 119.600 0.113 0.000 2.466 114 M HA 0.085 4.565 4.480 -0.001 0.000 0.265 114 M C -0.166 176.088 176.300 -0.077 0.000 1.122 114 M CA 0.880 56.162 55.300 -0.030 0.000 1.157 114 M CB -0.100 32.261 32.600 -0.399 0.000 1.352 114 M HN 0.451 nan 8.290 nan 0.000 0.464 115 N N 0.879 119.603 118.700 0.039 0.000 2.733 115 N HA 0.307 5.046 4.740 -0.001 0.000 0.271 115 N C -2.629 172.937 175.510 0.093 0.000 1.720 115 N CA -0.806 52.243 53.050 -0.001 0.000 0.803 115 N CB 0.586 39.057 38.487 -0.026 0.000 1.208 115 N HN 0.053 nan 8.380 nan 0.000 0.498 116 P HA 0.140 nan 4.420 nan 0.000 0.268 116 P C 0.932 178.305 177.300 0.122 0.000 1.205 116 P CA -0.162 63.004 63.100 0.109 0.000 0.771 116 P CB 1.534 33.294 31.700 0.101 0.000 0.858 117 K N 1.092 121.548 120.400 0.092 0.000 2.113 117 K HA -0.161 4.158 4.320 -0.001 0.000 0.208 117 K C 1.926 178.583 176.600 0.095 0.000 1.047 117 K CA 1.992 58.328 56.287 0.082 0.000 0.928 117 K CB -0.449 32.082 32.500 0.052 0.000 0.716 117 K HN 0.586 nan 8.250 nan 0.000 0.446 118 S N 0.531 116.283 115.700 0.087 0.000 2.465 118 S HA -0.108 4.362 4.470 -0.001 0.000 0.241 118 S C 1.397 176.082 174.600 0.142 0.000 1.000 118 S CA 0.884 59.133 58.200 0.083 0.000 0.964 118 S CB -0.019 63.211 63.200 0.050 0.000 0.763 118 S HN 0.086 nan 8.310 nan 0.000 0.512 119 L N 1.423 122.764 121.223 0.198 0.000 2.857 119 L HA 0.453 4.792 4.340 -0.001 0.000 0.249 119 L C 0.009 177.134 176.870 0.425 0.000 1.172 119 L CA 0.382 55.390 54.840 0.279 0.000 0.980 119 L CB -0.021 42.192 42.059 0.256 0.000 1.299 119 L HN 0.220 nan 8.230 nan 0.000 0.535 120 T N -0.623 114.131 114.554 0.335 0.000 2.863 120 T HA 0.535 4.884 4.350 -0.001 0.000 0.285 120 T C -0.310 174.429 174.700 0.065 0.000 1.009 120 T CA -0.527 61.725 62.100 0.253 0.000 0.989 120 T CB 2.467 71.434 68.868 0.165 0.000 1.004 120 T HN -0.211 nan 8.240 nan 0.000 0.455 121 R N 1.548 122.038 120.500 -0.017 0.000 2.415 121 R HA 0.565 4.904 4.340 -0.001 0.000 0.292 121 R C 0.502 176.757 176.300 -0.074 0.000 1.295 121 R CA -0.471 55.515 56.100 -0.190 0.000 1.137 121 R CB 0.291 30.359 30.300 -0.388 0.000 1.135 121 R HN 0.879 nan 8.270 nan 0.000 0.560 122 G N 2.779 111.542 108.800 -0.061 0.000 2.525 122 G HA2 0.280 4.239 3.960 -0.001 0.000 0.276 122 G HA3 0.280 4.239 3.960 -0.001 0.000 0.276 122 G C -1.907 172.960 174.900 -0.056 0.000 1.388 122 G CA -0.782 44.288 45.100 -0.050 0.000 1.050 122 G HN 0.449 nan 8.290 nan 0.000 0.520 123 P HA 0.217 nan 4.420 nan 0.000 0.271 123 P C -0.477 176.791 177.300 -0.052 0.000 1.244 123 P CA 0.089 63.156 63.100 -0.055 0.000 0.793 123 P CB 0.894 32.555 31.700 -0.065 0.000 0.984 124 R N -0.076 120.394 120.500 -0.050 0.000 2.905 124 R HA 0.346 4.685 4.340 -0.001 0.000 0.260 124 R C -0.299 175.969 176.300 -0.053 0.000 1.086 124 R CA -0.517 55.554 56.100 -0.047 0.000 0.978 124 R CB 1.072 31.347 30.300 -0.042 0.000 1.215 124 R HN 0.421 nan 8.270 nan 0.000 0.480 125 D N -0.778 119.593 120.400 -0.048 0.000 2.538 125 D HA 0.054 4.693 4.640 -0.001 0.000 0.241 125 D C -0.346 175.928 176.300 -0.043 0.000 1.297 125 D CA -0.302 53.665 54.000 -0.055 0.000 0.804 125 D CB 0.570 41.339 40.800 -0.053 0.000 1.122 125 D HN 0.269 nan 8.370 nan 0.000 0.519 126 K N -0.298 120.083 120.400 -0.032 0.000 2.556 126 K HA 0.540 4.859 4.320 -0.001 0.000 0.274 126 K C -3.424 173.168 176.600 -0.013 0.000 0.966 126 K CA -1.627 54.648 56.287 -0.019 0.000 0.865 126 K CB 0.787 33.277 32.500 -0.015 0.000 1.444 126 K HN -0.274 nan 8.250 nan 0.000 0.433 127 P HA 0.159 nan 4.420 nan 0.000 0.273 127 P C -0.567 176.732 177.300 -0.001 0.000 1.250 127 P CA -0.141 62.959 63.100 0.001 0.000 0.793 127 P CB 0.160 31.868 31.700 0.013 0.000 1.011 128 T N 2.575 117.131 114.554 0.003 0.000 2.799 128 T HA 0.187 4.537 4.350 -0.001 0.000 0.296 128 T C -2.090 172.614 174.700 0.007 0.000 0.947 128 T CA -0.662 61.442 62.100 0.006 0.000 1.141 128 T CB -0.710 68.171 68.868 0.021 0.000 0.891 128 T HN 0.303 nan 8.240 nan 0.000 0.533 129 P HA 0.047 nan 4.420 nan 0.000 0.264 129 P C 1.094 178.386 177.300 -0.013 0.000 1.179 129 P CA -0.094 63.000 63.100 -0.010 0.000 0.763 129 P CB 0.479 32.167 31.700 -0.019 0.000 0.806 130 L N 1.966 123.181 121.223 -0.014 0.000 2.017 130 L HA -0.220 4.119 4.340 -0.001 0.000 0.208 130 L C 1.986 178.831 176.870 -0.041 0.000 1.073 130 L CA 1.837 56.665 54.840 -0.020 0.000 0.745 130 L CB -0.954 41.094 42.059 -0.017 0.000 0.894 130 L HN 0.384 nan 8.230 nan 0.000 0.432 131 E N 0.413 120.587 120.200 -0.044 0.000 2.172 131 E HA -0.333 4.017 4.350 -0.001 0.000 0.213 131 E C 1.915 178.457 176.600 -0.098 0.000 1.051 131 E CA 2.268 58.632 56.400 -0.060 0.000 0.860 131 E CB -0.309 29.362 29.700 -0.050 0.000 0.755 131 E HN 0.609 nan 8.360 nan 0.000 0.462 132 E N -0.390 119.752 120.200 -0.098 0.000 2.086 132 E HA -0.062 4.288 4.350 -0.001 0.000 0.190 132 E C 1.995 178.472 176.600 -0.205 0.000 0.975 132 E CA 0.337 56.639 56.400 -0.165 0.000 0.813 132 E CB -0.079 29.572 29.700 -0.082 0.000 0.768 132 E HN 0.217 nan 8.360 nan 0.000 0.457 133 L N 0.548 121.734 121.223 -0.061 0.000 2.095 133 L HA -0.019 4.321 4.340 -0.001 0.000 0.204 133 L C 2.276 179.149 176.870 0.005 0.000 1.080 133 L CA 0.655 55.511 54.840 0.027 0.000 0.759 133 L CB -0.311 41.790 42.059 0.071 0.000 0.914 133 L HN 0.282 nan 8.230 nan 0.000 0.439 134 L N 0.495 121.690 121.223 -0.046 0.000 2.012 134 L HA -0.110 4.229 4.340 -0.001 0.000 0.210 134 L C -0.585 176.256 176.870 -0.048 0.000 1.073 134 L CA 2.203 57.003 54.840 -0.066 0.000 0.748 134 L CB -1.899 40.120 42.059 -0.066 0.000 0.891 134 L HN 0.150 nan 8.230 nan 0.000 0.431 135 P HA -0.145 nan 4.420 nan 0.000 0.215 135 P C 1.291 178.626 177.300 0.058 0.000 1.153 135 P CA 1.549 64.620 63.100 -0.049 0.000 0.853 135 P CB -0.222 31.397 31.700 -0.134 0.000 0.788 136 H N -0.307 118.785 119.070 0.038 0.000 2.321 136 H HA -0.023 4.532 4.556 -0.001 0.000 0.300 136 H C 2.014 177.417 175.328 0.125 0.000 1.087 136 H CA 1.537 57.631 56.048 0.077 0.000 1.319 136 H CB -1.156 28.647 29.762 0.069 0.000 1.379 136 H HN 0.039 nan 8.280 nan 0.000 0.501 137 A N 1.269 124.212 122.820 0.205 0.000 1.877 137 A HA -0.135 4.184 4.320 -0.001 0.000 0.216 137 A C 2.388 180.056 177.584 0.140 0.000 1.186 137 A CA 1.536 53.650 52.037 0.129 0.000 0.620 137 A CB -0.513 18.303 19.000 -0.307 0.000 0.822 137 A HN 0.215 nan 8.150 nan 0.000 0.443 138 I N 0.201 120.813 120.570 0.069 0.000 2.208 138 I HA -0.200 3.969 4.170 -0.001 0.000 0.245 138 I C 2.438 178.633 176.117 0.130 0.000 1.097 138 I CA 1.450 62.793 61.300 0.071 0.000 1.363 138 I CB -1.561 36.459 38.000 0.033 0.000 1.051 138 I HN 0.406 nan 8.210 nan 0.000 0.413 139 E N 0.584 120.881 120.200 0.161 0.000 2.058 139 E HA -0.264 4.085 4.350 -0.001 0.000 0.194 139 E C 2.262 178.996 176.600 0.223 0.000 0.997 139 E CA 1.256 57.763 56.400 0.177 0.000 0.801 139 E CB -0.360 29.456 29.700 0.193 0.000 0.746 139 E HN 0.407 nan 8.360 nan 0.000 0.450 140 F N 1.324 121.361 119.950 0.145 0.000 2.161 140 F HA -0.142 4.384 4.527 -0.001 0.000 0.300 140 F C 2.175 178.077 175.800 0.170 0.000 1.089 140 F CA 1.157 59.258 58.000 0.168 0.000 1.282 140 F CB -0.284 38.830 39.000 0.191 0.000 1.010 140 F HN -0.031 nan 8.300 nan 0.000 0.485 141 I N 0.133 120.695 120.570 -0.014 0.000 2.439 141 I HA -0.266 3.903 4.170 -0.001 0.000 0.251 141 I C 1.755 177.863 176.117 -0.016 0.000 1.139 141 I CA 0.834 62.101 61.300 -0.055 0.000 1.438 141 I CB -0.587 37.495 38.000 0.137 0.000 1.085 141 I HN 0.150 nan 8.210 nan 0.000 0.427 142 N N 0.688 119.419 118.700 0.053 0.000 2.244 142 N HA -0.213 4.526 4.740 -0.001 0.000 0.183 142 N C 1.763 177.233 175.510 -0.066 0.000 1.016 142 N CA 0.989 54.079 53.050 0.066 0.000 0.866 142 N CB -0.251 38.331 38.487 0.159 0.000 0.980 142 N HN 0.463 nan 8.380 nan 0.000 0.430 143 Q N -0.277 119.495 119.800 -0.047 0.000 2.046 143 Q HA -0.147 4.192 4.340 -0.001 0.000 0.200 143 Q C 1.923 177.829 176.000 -0.157 0.000 0.975 143 Q CA 1.023 56.820 55.803 -0.010 0.000 0.836 143 Q CB -0.165 28.658 28.738 0.142 0.000 0.896 143 Q HN 0.461 nan 8.270 nan 0.000 0.428 144 Y N -0.208 119.729 120.300 -0.605 0.000 2.014 144 Y HA -0.365 4.184 4.550 -0.001 0.000 0.272 144 Y C 1.716 177.113 175.900 -0.838 0.000 1.164 144 Y CA 2.030 59.541 58.100 -0.983 0.000 1.114 144 Y CB -0.335 37.493 38.460 -1.053 0.000 0.961 144 Y HN 0.213 nan 8.280 nan 0.000 0.489 145 Y N -0.044 119.706 120.300 -0.916 0.000 2.651 145 Y HA -0.094 4.456 4.550 -0.001 0.000 0.296 145 Y C 2.293 177.615 175.900 -0.963 0.000 1.150 145 Y CA 0.977 58.264 58.100 -1.356 0.000 1.348 145 Y CB -0.621 36.990 38.460 -1.415 0.000 0.983 145 Y HN 0.266 nan 8.280 nan 0.000 0.555 146 G N -1.523 107.018 108.800 -0.431 0.000 2.662 146 G HA2 -0.114 3.845 3.960 -0.001 0.000 0.212 146 G HA3 -0.114 3.845 3.960 -0.001 0.000 0.212 146 G C 1.238 176.124 174.900 -0.024 0.000 1.141 146 G CA 0.497 45.498 45.100 -0.166 0.000 0.797 146 G HN 0.366 nan 8.290 nan 0.000 0.531 147 S N 0.117 115.833 115.700 0.028 0.000 2.859 147 S HA 0.427 4.896 4.470 -0.001 0.000 0.245 147 S C -0.139 174.697 174.600 0.394 0.000 1.008 147 S CA -0.706 57.633 58.200 0.232 0.000 1.089 147 S CB -0.888 62.508 63.200 0.326 0.000 0.798 147 S HN 0.163 nan 8.310 nan 0.000 0.477 148 F N 0.219 120.089 119.950 -0.134 0.000 2.482 148 F HA 0.548 5.074 4.527 -0.001 0.000 0.331 148 F C 1.613 177.379 175.800 -0.058 0.000 1.115 148 F CA -1.167 56.759 58.000 -0.123 0.000 0.955 148 F CB 1.585 40.483 39.000 -0.169 0.000 1.136 148 F HN 0.180 nan 8.300 nan 0.000 0.452 149 K N 2.500 122.952 120.400 0.087 0.000 2.103 149 K HA -0.161 4.159 4.320 -0.001 0.000 0.207 149 K C 0.446 177.090 176.600 0.074 0.000 1.048 149 K CA 1.801 58.122 56.287 0.057 0.000 0.930 149 K CB -0.802 31.705 32.500 0.012 0.000 0.716 149 K HN 0.808 nan 8.250 nan 0.000 0.444 150 E N -0.433 119.831 120.200 0.106 0.000 2.182 150 E HA 0.608 4.957 4.350 -0.001 0.000 0.258 150 E C -0.725 175.980 176.600 0.175 0.000 0.879 150 E CA -0.670 55.794 56.400 0.106 0.000 0.754 150 E CB 1.666 31.406 29.700 0.066 0.000 1.162 150 E HN 0.234 nan 8.360 nan 0.000 0.419 151 A N 4.234 127.113 122.820 0.098 0.000 2.477 151 A HA 0.183 4.502 4.320 -0.001 0.000 0.246 151 A C -0.215 177.392 177.584 0.038 0.000 1.078 151 A CA -0.438 51.621 52.037 0.036 0.000 0.770 151 A CB 0.181 19.185 19.000 0.007 0.000 1.011 151 A HN 0.655 nan 8.150 nan 0.000 0.494 152 K N 3.911 124.312 120.400 0.003 0.000 2.432 152 K HA 0.274 4.593 4.320 -0.001 0.000 0.226 152 K C 0.493 177.076 176.600 -0.027 0.000 1.057 152 K CA -0.542 55.764 56.287 0.032 0.000 1.034 152 K CB 0.671 33.243 32.500 0.120 0.000 1.561 152 K HN 0.615 nan 8.250 nan 0.000 0.492 153 I N 1.607 122.160 120.570 -0.028 0.000 2.118 153 I HA -0.315 3.854 4.170 -0.001 0.000 0.241 153 I C 1.988 178.041 176.117 -0.107 0.000 1.070 153 I CA 1.530 62.795 61.300 -0.059 0.000 1.327 153 I CB -0.613 37.352 38.000 -0.058 0.000 1.034 153 I HN 0.607 nan 8.210 nan 0.000 0.405 154 E N 1.391 121.546 120.200 -0.076 0.000 2.110 154 E HA -0.292 4.057 4.350 -0.001 0.000 0.225 154 E C 1.909 178.439 176.600 -0.117 0.000 1.063 154 E CA 2.132 58.486 56.400 -0.076 0.000 0.906 154 E CB -0.664 29.017 29.700 -0.032 0.000 0.795 154 E HN 0.656 nan 8.360 nan 0.000 0.479 155 E N -0.417 119.710 120.200 -0.123 0.000 2.152 155 E HA -0.142 4.207 4.350 -0.001 0.000 0.192 155 E C 2.192 178.492 176.600 -0.499 0.000 0.983 155 E CA 0.536 56.843 56.400 -0.154 0.000 0.818 155 E CB -0.333 29.405 29.700 0.063 0.000 0.758 155 E HN 0.486 nan 8.360 nan 0.000 0.467 156 H N 0.554 119.021 119.070 -1.005 0.000 2.319 156 H HA -0.161 4.394 4.556 -0.001 0.000 0.299 156 H C 1.947 176.932 175.328 -0.572 0.000 1.092 156 H CA 0.900 56.172 56.048 -1.294 0.000 1.302 156 H CB 0.249 29.505 29.762 -0.844 0.000 1.373 156 H HN 0.035 nan 8.280 nan 0.000 0.497 157 L N 0.825 121.869 121.223 -0.297 0.000 2.005 157 L HA -0.108 4.231 4.340 -0.001 0.000 0.207 157 L C 2.963 179.747 176.870 -0.145 0.000 1.072 157 L CA 1.761 56.463 54.840 -0.231 0.000 0.744 157 L CB -1.302 40.640 42.059 -0.195 0.000 0.895 157 L HN 0.408 nan 8.230 nan 0.000 0.433 158 A N -0.576 122.170 122.820 -0.123 0.000 1.892 158 A HA -0.299 4.021 4.320 -0.001 0.000 0.218 158 A C 2.492 180.055 177.584 -0.036 0.000 1.188 158 A CA 2.202 54.201 52.037 -0.064 0.000 0.631 158 A CB -0.562 18.414 19.000 -0.040 0.000 0.822 158 A HN 0.320 nan 8.150 nan 0.000 0.447 159 R N -0.114 120.359 120.500 -0.044 0.000 2.081 159 R HA -0.004 4.335 4.340 -0.001 0.000 0.235 159 R C 1.964 178.285 176.300 0.035 0.000 1.131 159 R CA 1.609 57.735 56.100 0.043 0.000 0.960 159 R CB -0.988 29.397 30.300 0.142 0.000 0.856 159 R HN 0.541 nan 8.270 nan 0.000 0.436 160 L N 0.229 121.448 121.223 -0.008 0.000 1.971 160 L HA -0.239 4.100 4.340 -0.001 0.000 0.215 160 L C 2.532 179.385 176.870 -0.028 0.000 1.072 160 L CA 2.230 57.064 54.840 -0.011 0.000 0.758 160 L CB -0.630 41.395 42.059 -0.056 0.000 0.889 160 L HN 0.380 nan 8.230 nan 0.000 0.433 161 E N -0.185 119.990 120.200 -0.042 0.000 2.049 161 E HA -0.309 4.041 4.350 -0.001 0.000 0.198 161 E C 2.120 178.712 176.600 -0.015 0.000 1.007 161 E CA 1.595 57.974 56.400 -0.034 0.000 0.809 161 E CB -0.100 29.577 29.700 -0.038 0.000 0.749 161 E HN 0.477 nan 8.360 nan 0.000 0.450 162 A N 0.310 123.132 122.820 0.004 0.000 1.851 162 A HA -0.188 4.132 4.320 -0.001 0.000 0.216 162 A C 2.486 180.086 177.584 0.026 0.000 1.195 162 A CA 1.799 53.851 52.037 0.025 0.000 0.622 162 A CB -0.977 18.053 19.000 0.050 0.000 0.831 162 A HN 0.250 nan 8.150 nan 0.000 0.444 163 V N 0.318 120.247 119.914 0.024 0.000 2.332 163 V HA -0.272 3.847 4.120 -0.001 0.000 0.248 163 V C 2.798 178.838 176.094 -0.090 0.000 1.055 163 V CA 2.560 64.843 62.300 -0.028 0.000 1.038 163 V CB -1.333 30.445 31.823 -0.076 0.000 0.651 163 V HN 0.718 nan 8.190 nan 0.000 0.450 164 T N -0.662 113.851 114.554 -0.069 0.000 2.708 164 T HA -0.201 4.148 4.350 -0.001 0.000 0.266 164 T C 1.896 176.573 174.700 -0.039 0.000 1.037 164 T CA 1.306 63.367 62.100 -0.066 0.000 1.146 164 T CB -0.214 68.622 68.868 -0.052 0.000 0.865 164 T HN 0.442 nan 8.240 nan 0.000 0.435 165 K N 0.791 121.179 120.400 -0.020 0.000 2.097 165 K HA -0.049 4.271 4.320 -0.001 0.000 0.205 165 K C 2.483 179.088 176.600 0.007 0.000 1.050 165 K CA 0.952 57.235 56.287 -0.006 0.000 0.938 165 K CB -0.119 32.381 32.500 -0.001 0.000 0.718 165 K HN 0.465 nan 8.250 nan 0.000 0.442 166 E N 1.086 121.297 120.200 0.019 0.000 2.077 166 E HA -0.167 4.182 4.350 -0.001 0.000 0.193 166 E C 1.969 178.598 176.600 0.049 0.000 0.989 166 E CA 0.908 57.337 56.400 0.049 0.000 0.800 166 E CB 0.031 29.787 29.700 0.092 0.000 0.746 166 E HN 0.220 nan 8.360 nan 0.000 0.452 167 I N 0.862 121.443 120.570 0.019 0.000 2.252 167 I HA -0.227 3.943 4.170 -0.001 0.000 0.245 167 I C 2.193 178.315 176.117 0.009 0.000 1.102 167 I CA 1.149 62.459 61.300 0.016 0.000 1.385 167 I CB -0.142 37.827 38.000 -0.052 0.000 1.064 167 I HN 0.109 nan 8.210 nan 0.000 0.414 168 E N -0.020 120.177 120.200 -0.005 0.000 2.153 168 E HA -0.174 4.175 4.350 -0.001 0.000 0.194 168 E C 2.054 178.658 176.600 0.006 0.000 0.988 168 E CA 1.645 58.043 56.400 -0.003 0.000 0.811 168 E CB -0.009 29.685 29.700 -0.011 0.000 0.746 168 E HN 0.423 nan 8.360 nan 0.000 0.466 169 T N -0.656 113.906 114.554 0.014 0.000 2.939 169 T HA -0.070 4.280 4.350 -0.001 0.000 0.254 169 T C 2.001 176.715 174.700 0.024 0.000 1.041 169 T CA 1.564 63.674 62.100 0.017 0.000 1.142 169 T CB 0.039 68.919 68.868 0.020 0.000 0.874 169 T HN 0.320 nan 8.240 nan 0.000 0.452 170 T N -1.745 112.830 114.554 0.034 0.000 3.010 170 T HA 0.421 4.771 4.350 -0.001 0.000 0.257 170 T C 1.642 176.367 174.700 0.042 0.000 1.020 170 T CA 0.738 62.861 62.100 0.039 0.000 0.938 170 T CB 0.214 69.111 68.868 0.048 0.000 1.049 170 T HN 0.438 nan 8.240 nan 0.000 0.522 171 G N 0.312 109.137 108.800 0.041 0.000 2.179 171 G HA2 -0.144 3.815 3.960 -0.001 0.000 0.257 171 G HA3 -0.144 3.815 3.960 -0.001 0.000 0.257 171 G C 0.140 175.081 174.900 0.067 0.000 1.010 171 G CA 0.489 45.614 45.100 0.042 0.000 0.736 171 G HN 1.054 nan 8.290 nan 0.000 0.513 172 T N -1.704 112.912 114.554 0.104 0.000 2.676 172 T HA 0.576 4.926 4.350 -0.001 0.000 0.308 172 T C -1.765 173.095 174.700 0.267 0.000 1.740 172 T CA 0.313 62.516 62.100 0.171 0.000 0.982 172 T CB 1.098 70.016 68.868 0.084 0.000 1.724 172 T HN 1.711 nan 8.240 nan 0.000 0.497 173 Y N -0.148 120.159 120.300 0.012 0.000 2.638 173 Y HA 0.810 5.359 4.550 -0.001 0.000 0.335 173 Y C -1.490 174.430 175.900 0.032 0.000 1.155 173 Y CA -1.201 56.917 58.100 0.030 0.000 1.046 173 Y CB 0.940 39.431 38.460 0.051 0.000 1.303 173 Y HN 0.436 nan 8.280 nan 0.000 0.460 174 Q N 2.532 122.304 119.800 -0.047 0.000 2.309 174 Q HA 0.537 4.876 4.340 -0.001 0.000 0.264 174 Q C -0.903 175.062 176.000 -0.058 0.000 1.008 174 Q CA -0.852 54.887 55.803 -0.106 0.000 0.853 174 Q CB 2.986 31.725 28.738 0.002 0.000 1.314 174 Q HN 0.849 nan 8.270 nan 0.000 0.448 175 L N 1.382 122.565 121.223 -0.066 0.000 2.395 175 L HA 0.297 4.636 4.340 -0.001 0.000 0.269 175 L C 1.040 177.935 176.870 0.041 0.000 1.133 175 L CA -0.624 54.235 54.840 0.032 0.000 0.812 175 L CB 0.683 42.768 42.059 0.043 0.000 1.125 175 L HN 0.666 nan 8.230 nan 0.000 0.452 176 T N -0.445 114.137 114.554 0.046 0.000 2.930 176 T HA 0.074 4.423 4.350 -0.001 0.000 0.306 176 T C 1.009 175.706 174.700 -0.005 0.000 1.045 176 T CA -0.581 61.536 62.100 0.028 0.000 1.134 176 T CB 0.936 69.834 68.868 0.049 0.000 0.961 176 T HN 0.563 nan 8.240 nan 0.000 0.545 177 L N 1.552 122.774 121.223 -0.001 0.000 2.081 177 L HA -0.103 4.236 4.340 -0.001 0.000 0.212 177 L C 2.312 179.171 176.870 -0.019 0.000 1.080 177 L CA 2.189 57.016 54.840 -0.022 0.000 0.754 177 L CB -0.800 41.245 42.059 -0.023 0.000 0.893 177 L HN 0.928 nan 8.230 nan 0.000 0.433 178 D N -0.580 119.823 120.400 0.004 0.000 2.144 178 D HA -0.230 4.410 4.640 -0.001 0.000 0.199 178 D C 1.936 178.238 176.300 0.005 0.000 0.984 178 D CA 1.430 55.457 54.000 0.044 0.000 0.834 178 D CB 0.159 41.028 40.800 0.115 0.000 0.955 178 D HN 0.588 nan 8.370 nan 0.000 0.465 179 E N 0.296 120.370 120.200 -0.209 0.000 2.051 179 E HA -0.141 4.208 4.350 -0.001 0.000 0.192 179 E C 2.293 178.934 176.600 0.069 0.000 0.991 179 E CA 0.430 56.598 56.400 -0.388 0.000 0.799 179 E CB -0.098 29.387 29.700 -0.357 0.000 0.748 179 E HN 0.251 nan 8.360 nan 0.000 0.449 180 L N 0.736 121.974 121.223 0.026 0.000 1.989 180 L HA -0.231 4.108 4.340 -0.001 0.000 0.211 180 L C 2.344 179.216 176.870 0.004 0.000 1.071 180 L CA 1.343 56.174 54.840 -0.015 0.000 0.749 180 L CB -0.262 41.731 42.059 -0.110 0.000 0.890 180 L HN 0.241 nan 8.230 nan 0.000 0.431 181 I N -0.709 119.867 120.570 0.009 0.000 2.236 181 I HA -0.407 3.762 4.170 -0.001 0.000 0.249 181 I C 2.341 178.523 176.117 0.109 0.000 1.102 181 I CA 1.849 63.158 61.300 0.015 0.000 1.365 181 I CB -0.326 37.673 38.000 -0.001 0.000 1.051 181 I HN 0.271 nan 8.210 nan 0.000 0.420 182 F N 1.155 121.140 119.950 0.057 0.000 2.163 182 F HA -0.116 4.410 4.527 -0.001 0.000 0.297 182 F C 2.435 178.342 175.800 0.178 0.000 1.094 182 F CA 1.241 59.332 58.000 0.151 0.000 1.290 182 F CB -0.282 38.850 39.000 0.221 0.000 1.017 182 F HN -0.015 nan 8.300 nan 0.000 0.483 183 A N 0.201 123.203 122.820 0.303 0.000 1.902 183 A HA -0.224 4.095 4.320 -0.001 0.000 0.217 183 A C 2.254 179.782 177.584 -0.093 0.000 1.181 183 A CA 2.537 54.644 52.037 0.116 0.000 0.623 183 A CB -1.691 17.321 19.000 0.020 0.000 0.818 183 A HN 0.548 nan 8.150 nan 0.000 0.443 184 T N -1.889 112.622 114.554 -0.072 0.000 2.833 184 T HA -0.118 4.231 4.350 -0.001 0.000 0.269 184 T C 1.755 176.462 174.700 0.010 0.000 1.054 184 T CA 1.678 63.745 62.100 -0.054 0.000 1.135 184 T CB -0.256 68.588 68.868 -0.040 0.000 0.869 184 T HN 0.558 nan 8.240 nan 0.000 0.466 185 K N 0.022 120.429 120.400 0.012 0.000 2.137 185 K HA 0.236 4.556 4.320 -0.001 0.000 0.202 185 K C 2.502 179.213 176.600 0.185 0.000 1.052 185 K CA 0.660 57.042 56.287 0.157 0.000 0.961 185 K CB -0.111 32.476 32.500 0.144 0.000 0.741 185 K HN 0.228 nan 8.250 nan 0.000 0.452 186 M N 0.690 120.215 119.600 -0.124 0.000 2.132 186 M HA -0.050 4.429 4.480 -0.001 0.000 0.263 186 M C 2.490 178.658 176.300 -0.221 0.000 1.065 186 M CA 1.353 56.483 55.300 -0.282 0.000 1.122 186 M CB -0.906 31.438 32.600 -0.427 0.000 1.365 186 M HN 0.150 nan 8.290 nan 0.000 0.411 187 A N -0.465 122.215 122.820 -0.234 0.000 1.892 187 A HA -0.254 4.065 4.320 -0.001 0.000 0.218 187 A C 2.131 179.600 177.584 -0.193 0.000 1.188 187 A CA 2.145 53.934 52.037 -0.412 0.000 0.631 187 A CB -1.390 17.050 19.000 -0.933 0.000 0.822 187 A HN 0.645 nan 8.150 nan 0.000 0.447 188 H N -0.713 118.347 119.070 -0.017 0.000 2.290 188 H HA -0.156 4.399 4.556 -0.001 0.000 0.298 188 H C 2.385 177.636 175.328 -0.128 0.000 1.087 188 H CA 1.678 57.711 56.048 -0.026 0.000 1.291 188 H CB -0.152 29.588 29.762 -0.037 0.000 1.369 188 H HN 0.472 nan 8.280 nan 0.000 0.492 189 R N 0.240 120.583 120.500 -0.262 0.000 2.174 189 R HA -0.152 4.187 4.340 -0.001 0.000 0.253 189 R C 0.742 176.817 176.300 -0.376 0.000 1.165 189 R CA 1.941 57.740 56.100 -0.501 0.000 0.984 189 R CB -0.007 29.793 30.300 -0.834 0.000 0.873 189 R HN 0.393 nan 8.270 nan 0.000 0.456 190 N N -0.362 118.162 118.700 -0.294 0.000 2.276 190 N HA 0.099 4.839 4.740 -0.001 0.000 0.212 190 N C -1.030 174.309 175.510 -0.286 0.000 1.127 190 N CA 0.380 53.303 53.050 -0.212 0.000 0.834 190 N CB 1.367 39.802 38.487 -0.086 0.000 1.014 190 N HN 0.160 nan 8.380 nan 0.000 0.491 191 A N 1.491 124.109 122.820 -0.338 0.000 2.506 191 A HA 0.389 4.708 4.320 -0.001 0.000 0.320 191 A C -1.329 176.102 177.584 -0.255 0.000 1.424 191 A CA -1.210 50.585 52.037 -0.404 0.000 1.044 191 A CB 0.554 19.361 19.000 -0.323 0.000 1.140 191 A HN -0.056 nan 8.150 nan 0.000 0.538 192 P HA -0.184 nan 4.420 nan 0.000 0.218 192 P C 1.010 178.233 177.300 -0.129 0.000 1.146 192 P CA 1.312 64.336 63.100 -0.126 0.000 0.820 192 P CB 0.142 31.790 31.700 -0.087 0.000 0.778 193 R N -2.257 118.131 120.500 -0.185 0.000 2.359 193 R HA 0.182 4.521 4.340 -0.001 0.000 0.231 193 R C 0.225 176.501 176.300 -0.040 0.000 0.913 193 R CA -0.140 55.889 56.100 -0.119 0.000 1.075 193 R CB -0.286 29.805 30.300 -0.348 0.000 1.087 193 R HN 0.200 nan 8.270 nan 0.000 0.515 194 C N 0.548 119.779 119.300 -0.114 0.000 2.303 194 C HA 0.374 4.833 4.460 -0.001 0.000 0.326 194 C C 1.658 176.552 174.990 -0.160 0.000 1.285 194 C CA -0.823 58.140 59.018 -0.092 0.000 1.675 194 C CB -0.129 27.572 27.740 -0.066 0.000 2.289 194 C HN 0.553 nan 8.230 nan 0.000 0.512 195 I N 4.094 124.562 120.570 -0.169 0.000 3.226 195 I HA 0.207 4.376 4.170 -0.001 0.000 0.277 195 I C 1.818 177.938 176.117 0.005 0.000 1.243 195 I CA 0.874 62.042 61.300 -0.221 0.000 1.459 195 I CB 0.115 37.984 38.000 -0.218 0.000 1.093 195 I HN 0.927 nan 8.210 nan 0.000 0.453 196 G N 0.559 109.338 108.800 -0.035 0.000 3.562 196 G HA2 0.072 4.031 3.960 -0.001 0.000 0.279 196 G HA3 0.072 4.031 3.960 -0.001 0.000 0.279 196 G C 1.052 175.911 174.900 -0.067 0.000 1.314 196 G CA -0.371 44.699 45.100 -0.050 0.000 1.189 196 G HN 0.278 nan 8.290 nan 0.000 0.562 197 R N -0.451 119.944 120.500 -0.174 0.000 2.310 197 R HA 0.161 4.500 4.340 -0.001 0.000 0.202 197 R C 1.868 177.849 176.300 -0.532 0.000 0.933 197 R CA -0.272 55.560 56.100 -0.446 0.000 1.054 197 R CB 0.035 29.997 30.300 -0.564 0.000 0.985 197 R HN 0.418 nan 8.270 nan 0.000 0.489 198 I N 1.102 121.462 120.570 -0.351 0.000 2.657 198 I HA -0.234 3.935 4.170 -0.001 0.000 0.261 198 I C 1.289 177.443 176.117 0.062 0.000 1.212 198 I CA 1.520 62.770 61.300 -0.083 0.000 1.453 198 I CB 0.174 38.213 38.000 0.066 0.000 1.092 198 I HN 0.069 nan 8.210 nan 0.000 0.452 199 Q N -0.109 119.704 119.800 0.022 0.000 2.222 199 Q HA -0.004 4.335 4.340 -0.001 0.000 0.206 199 Q C 1.290 177.294 176.000 0.006 0.000 0.877 199 Q CA 0.020 55.825 55.803 0.004 0.000 0.958 199 Q CB -0.103 28.612 28.738 -0.039 0.000 1.075 199 Q HN 0.779 nan 8.270 nan 0.000 0.483 200 W N 0.340 121.628 121.300 -0.019 0.000 2.409 200 W HA -0.073 4.586 4.660 -0.001 0.000 0.299 200 W C 1.208 177.749 176.519 0.038 0.000 1.203 200 W CA 1.189 58.572 57.345 0.063 0.000 1.298 200 W CB -1.134 28.243 29.460 -0.138 0.000 1.127 200 W HN 0.103 nan 8.180 nan 0.000 0.528 201 S N 0.973 115.752 115.700 -1.534 0.000 2.595 201 S HA -0.117 4.353 4.470 -0.001 0.000 0.235 201 S C 0.273 174.555 174.600 -0.530 0.000 0.974 201 S CA 0.589 58.016 58.200 -1.288 0.000 0.942 201 S CB -0.902 61.407 63.200 -1.484 0.000 0.766 201 S HN 0.290 nan 8.310 nan 0.000 0.536 202 N N 0.765 119.266 118.700 -0.333 0.000 2.569 202 N HA 0.535 5.274 4.740 -0.001 0.000 0.254 202 N C -1.294 174.148 175.510 -0.114 0.000 1.004 202 N CA -0.525 52.418 53.050 -0.178 0.000 0.904 202 N CB 0.748 39.166 38.487 -0.115 0.000 1.165 202 N HN 0.365 nan 8.380 nan 0.000 0.513 203 L N 1.418 122.571 121.223 -0.118 0.000 2.556 203 L HA 0.429 4.768 4.340 -0.001 0.000 0.257 203 L C -1.482 175.290 176.870 -0.162 0.000 0.955 203 L CA -0.696 54.073 54.840 -0.118 0.000 0.850 203 L CB 2.244 44.230 42.059 -0.121 0.000 1.398 203 L HN 0.456 nan 8.230 nan 0.000 0.412 204 Q N 2.201 121.876 119.800 -0.208 0.000 2.290 204 Q HA 0.511 4.850 4.340 -0.001 0.000 0.259 204 Q C -1.656 174.006 176.000 -0.563 0.000 0.941 204 Q CA -0.254 55.275 55.803 -0.455 0.000 0.912 204 Q CB 1.792 30.149 28.738 -0.635 0.000 1.244 204 Q HN 0.383 nan 8.270 nan 0.000 0.441 205 V N 6.074 125.634 119.914 -0.591 0.000 2.334 205 V HA 0.424 4.543 4.120 -0.001 0.000 0.281 205 V C -0.934 174.823 176.094 -0.562 0.000 1.016 205 V CA -0.541 61.493 62.300 -0.443 0.000 0.832 205 V CB 0.543 32.213 31.823 -0.255 0.000 0.999 205 V HN 0.669 nan 8.190 nan 0.000 0.439 206 F N 2.812 122.629 119.950 -0.222 0.000 2.350 206 F HA 0.334 4.860 4.527 -0.001 0.000 0.365 206 F C 0.617 176.268 175.800 -0.249 0.000 1.122 206 F CA -0.875 56.997 58.000 -0.214 0.000 1.139 206 F CB 0.797 39.684 39.000 -0.189 0.000 1.220 206 F HN 0.441 nan 8.300 nan 0.000 0.499 207 D N 3.377 123.732 120.400 -0.076 0.000 2.416 207 D HA 0.255 4.894 4.640 -0.001 0.000 0.240 207 D C 0.600 176.779 176.300 -0.203 0.000 1.250 207 D CA 0.081 53.990 54.000 -0.151 0.000 0.967 207 D CB 0.784 41.519 40.800 -0.108 0.000 1.059 207 D HN 0.574 nan 8.370 nan 0.000 0.512 208 A N 4.379 126.938 122.820 -0.435 0.000 2.415 208 A HA 0.114 4.434 4.320 -0.001 0.000 0.248 208 A C 1.970 179.324 177.584 -0.382 0.000 1.299 208 A CA -0.282 51.352 52.037 -0.673 0.000 0.899 208 A CB -0.142 17.946 19.000 -1.521 0.000 0.997 208 A HN 0.539 nan 8.150 nan 0.000 0.506 209 R N 1.253 121.615 120.500 -0.231 0.000 2.139 209 R HA -0.148 4.191 4.340 -0.001 0.000 0.243 209 R C 0.477 176.719 176.300 -0.096 0.000 1.145 209 R CA 1.400 57.430 56.100 -0.116 0.000 0.976 209 R CB -0.167 30.111 30.300 -0.037 0.000 0.866 209 R HN 0.752 nan 8.270 nan 0.000 0.449 210 N N 0.333 118.988 118.700 -0.076 0.000 3.324 210 N HA 0.003 4.742 4.740 -0.001 0.000 0.302 210 N C -0.833 174.680 175.510 0.005 0.000 1.360 210 N CA -0.285 52.752 53.050 -0.022 0.000 1.190 210 N CB 0.036 38.527 38.487 0.007 0.000 1.462 210 N HN 0.077 nan 8.380 nan 0.000 0.532 211 C N 0.764 120.048 119.300 -0.028 0.000 2.667 211 C HA 0.822 5.281 4.460 -0.001 0.000 0.323 211 C C 1.006 176.066 174.990 0.117 0.000 1.214 211 C CA -0.054 59.009 59.018 0.075 0.000 1.721 211 C CB 1.334 29.146 27.740 0.119 0.000 2.275 211 C HN 0.659 nan 8.230 nan 0.000 0.491 212 S N 0.784 116.633 115.700 0.247 0.000 2.760 212 S HA 0.235 4.704 4.470 -0.001 0.000 0.263 212 S C -0.232 174.556 174.600 0.312 0.000 1.007 212 S CA 0.396 58.815 58.200 0.364 0.000 1.358 212 S CB -0.404 62.952 63.200 0.260 0.000 1.228 212 S HN 1.290 nan 8.310 nan 0.000 0.684 213 T N 0.250 114.963 114.554 0.265 0.000 2.881 213 T HA 0.803 5.152 4.350 -0.001 0.000 0.290 213 T C 0.099 174.911 174.700 0.188 0.000 1.000 213 T CA -0.194 62.015 62.100 0.182 0.000 0.978 213 T CB 1.648 70.609 68.868 0.155 0.000 0.997 213 T HN 0.487 nan 8.240 nan 0.000 0.443 214 A N 1.739 124.656 122.820 0.162 0.000 2.648 214 A HA 0.429 4.748 4.320 -0.001 0.000 0.269 214 A C 1.193 178.909 177.584 0.219 0.000 1.392 214 A CA 0.008 52.143 52.037 0.164 0.000 1.019 214 A CB -0.492 18.593 19.000 0.141 0.000 1.009 214 A HN 0.859 nan 8.150 nan 0.000 0.565 215 Q N -0.721 119.163 119.800 0.139 0.000 2.170 215 Q HA 0.097 4.436 4.340 -0.001 0.000 0.165 215 Q C 1.403 177.465 176.000 0.103 0.000 0.599 215 Q CA 0.738 56.631 55.803 0.150 0.000 0.844 215 Q CB -0.283 28.579 28.738 0.206 0.000 1.139 215 Q HN 0.371 nan 8.270 nan 0.000 0.388 216 E N 0.208 120.493 120.200 0.142 0.000 2.147 216 E HA -0.224 4.125 4.350 -0.001 0.000 0.199 216 E C 1.831 178.593 176.600 0.270 0.000 1.005 216 E CA 1.623 58.127 56.400 0.174 0.000 0.810 216 E CB -0.048 29.788 29.700 0.226 0.000 0.736 216 E HN 0.463 nan 8.360 nan 0.000 0.460 217 M N -0.452 119.281 119.600 0.222 0.000 2.156 217 M HA -0.101 4.379 4.480 -0.001 0.000 0.264 217 M C 2.036 178.395 176.300 0.099 0.000 1.067 217 M CA 0.975 56.382 55.300 0.180 0.000 1.131 217 M CB -0.120 32.419 32.600 -0.101 0.000 1.368 217 M HN 0.208 nan 8.290 nan 0.000 0.416 218 F N 1.311 121.093 119.950 -0.279 0.000 2.202 218 F HA -0.244 4.282 4.527 -0.001 0.000 0.301 218 F C 2.059 177.716 175.800 -0.238 0.000 1.082 218 F CA 1.719 59.427 58.000 -0.487 0.000 1.313 218 F CB -0.326 37.877 39.000 -1.328 0.000 1.024 218 F HN 0.234 nan 8.300 nan 0.000 0.495 219 Q N -1.129 118.483 119.800 -0.314 0.000 2.096 219 Q HA -0.162 4.177 4.340 -0.001 0.000 0.197 219 Q C 2.001 177.813 176.000 -0.314 0.000 0.964 219 Q CA 1.704 57.271 55.803 -0.393 0.000 0.838 219 Q CB -0.363 28.232 28.738 -0.239 0.000 0.906 219 Q HN 0.554 nan 8.270 nan 0.000 0.444 220 H N 0.174 119.188 119.070 -0.095 0.000 2.387 220 H HA -0.082 4.473 4.556 -0.001 0.000 0.299 220 H C 1.856 177.118 175.328 -0.109 0.000 1.090 220 H CA 1.436 57.437 56.048 -0.079 0.000 1.332 220 H CB 0.118 29.913 29.762 0.054 0.000 1.386 220 H HN 0.167 nan 8.280 nan 0.000 0.516 221 I N -0.703 119.908 120.570 0.068 0.000 2.252 221 I HA -0.310 3.860 4.170 -0.001 0.000 0.245 221 I C 2.155 178.196 176.117 -0.128 0.000 1.102 221 I CA 0.633 61.928 61.300 -0.008 0.000 1.385 221 I CB -0.214 37.781 38.000 -0.010 0.000 1.064 221 I HN 0.404 nan 8.210 nan 0.000 0.414 222 C N 0.469 119.596 119.300 -0.288 0.000 2.413 222 C HA -0.194 4.265 4.460 -0.001 0.000 0.277 222 C C 3.010 177.885 174.990 -0.192 0.000 1.228 222 C CA 1.243 60.085 59.018 -0.293 0.000 1.731 222 C CB -1.137 26.315 27.740 -0.479 0.000 2.042 222 C HN 0.486 nan 8.230 nan 0.000 0.468 223 R N -0.013 120.346 120.500 -0.235 0.000 2.103 223 R HA -0.222 4.117 4.340 -0.001 0.000 0.242 223 R C 2.116 178.259 176.300 -0.261 0.000 1.142 223 R CA 2.308 58.257 56.100 -0.253 0.000 0.960 223 R CB -0.706 29.384 30.300 -0.350 0.000 0.858 223 R HN 0.808 nan 8.270 nan 0.000 0.439 224 H N -0.214 118.623 119.070 -0.389 0.000 2.270 224 H HA -0.069 4.486 4.556 -0.001 0.000 0.299 224 H C 2.090 177.390 175.328 -0.046 0.000 1.077 224 H CA 2.236 58.107 56.048 -0.295 0.000 1.294 224 H CB -0.086 29.558 29.762 -0.196 0.000 1.371 224 H HN 0.200 nan 8.280 nan 0.000 0.491 225 I N 0.463 121.150 120.570 0.194 0.000 2.194 225 I HA -0.309 3.861 4.170 -0.001 0.000 0.246 225 I C 2.598 178.775 176.117 0.100 0.000 1.093 225 I CA 1.249 62.633 61.300 0.139 0.000 1.355 225 I CB -0.178 37.835 38.000 0.021 0.000 1.046 225 I HN 0.407 nan 8.210 nan 0.000 0.413 226 L N -0.693 120.557 121.223 0.046 0.000 2.072 226 L HA -0.243 4.096 4.340 -0.001 0.000 0.205 226 L C 2.638 179.542 176.870 0.056 0.000 1.079 226 L CA 1.292 56.149 54.840 0.030 0.000 0.752 226 L CB -0.356 41.700 42.059 -0.006 0.000 0.906 226 L HN 0.244 nan 8.230 nan 0.000 0.436 227 Y N 0.389 120.675 120.300 -0.023 0.000 2.181 227 Y HA -0.254 4.295 4.550 -0.001 0.000 0.288 227 Y C 2.317 178.252 175.900 0.058 0.000 1.146 227 Y CA 1.752 59.873 58.100 0.034 0.000 1.164 227 Y CB -0.295 38.237 38.460 0.120 0.000 0.982 227 Y HN 0.208 nan 8.280 nan 0.000 0.515 228 A N -0.983 121.913 122.820 0.125 0.000 1.968 228 A HA -0.084 4.235 4.320 -0.001 0.000 0.217 228 A C 2.145 179.754 177.584 0.041 0.000 1.169 228 A CA 1.826 53.919 52.037 0.094 0.000 0.638 228 A CB -1.097 18.048 19.000 0.241 0.000 0.812 228 A HN 0.497 nan 8.150 nan 0.000 0.446 229 T N 0.042 114.623 114.554 0.046 0.000 2.857 229 T HA -0.083 4.266 4.350 -0.001 0.000 0.266 229 T C 1.084 175.778 174.700 -0.011 0.000 1.048 229 T CA 0.987 63.114 62.100 0.046 0.000 1.139 229 T CB -0.417 68.484 68.868 0.055 0.000 0.874 229 T HN 0.577 nan 8.240 nan 0.000 0.455 230 N N 2.159 120.817 118.700 -0.070 0.000 2.701 230 N HA -0.277 4.463 4.740 -0.001 0.000 0.257 230 N C 0.178 175.654 175.510 -0.057 0.000 0.969 230 N CA 0.862 53.853 53.050 -0.097 0.000 0.786 230 N CB -2.011 36.376 38.487 -0.165 0.000 0.917 230 N HN 0.667 nan 8.380 nan 0.000 0.541 231 N N -1.771 116.910 118.700 -0.033 0.000 2.741 231 N HA -0.235 4.504 4.740 -0.001 0.000 0.250 231 N C 0.723 176.215 175.510 -0.029 0.000 1.115 231 N CA 1.076 54.109 53.050 -0.028 0.000 0.724 231 N CB -1.230 37.237 38.487 -0.034 0.000 1.090 231 N HN 0.971 nan 8.380 nan 0.000 0.558 232 G N 0.115 108.906 108.800 -0.015 0.000 2.175 232 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.244 232 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.244 232 G C -0.164 174.725 174.900 -0.018 0.000 0.982 232 G CA 0.379 45.475 45.100 -0.007 0.000 0.641 232 G HN 0.655 nan 8.290 nan 0.000 0.527 233 N N 1.148 119.822 118.700 -0.043 0.000 2.719 233 N HA 0.407 5.146 4.740 -0.001 0.000 0.243 233 N C 0.561 176.035 175.510 -0.061 0.000 1.104 233 N CA -0.857 52.148 53.050 -0.076 0.000 0.981 233 N CB -0.007 38.428 38.487 -0.088 0.000 1.290 233 N HN 0.123 nan 8.380 nan 0.000 0.513 234 I N 2.752 123.309 120.570 -0.022 0.000 2.618 234 I HA 0.049 4.218 4.170 -0.001 0.000 0.284 234 I C 0.749 176.975 176.117 0.182 0.000 1.146 234 I CA 0.480 61.848 61.300 0.114 0.000 1.425 234 I CB 0.335 38.495 38.000 0.266 0.000 1.383 234 I HN 0.414 nan 8.210 nan 0.000 0.562 235 R N 3.703 124.289 120.500 0.143 0.000 2.562 235 R HA 0.371 4.710 4.340 -0.001 0.000 0.298 235 R C -0.340 176.104 176.300 0.240 0.000 0.961 235 R CA -0.632 55.568 56.100 0.166 0.000 0.881 235 R CB 1.896 32.133 30.300 -0.105 0.000 1.159 235 R HN 0.513 nan 8.270 nan 0.000 0.450 236 S N 1.501 117.336 115.700 0.225 0.000 2.505 236 S HA 0.472 4.941 4.470 -0.001 0.000 0.276 236 S C -0.517 174.144 174.600 0.101 0.000 1.274 236 S CA -0.217 58.041 58.200 0.096 0.000 1.053 236 S CB 0.938 64.096 63.200 -0.071 0.000 0.919 236 S HN 0.656 nan 8.310 nan 0.000 0.490 237 A N 3.740 126.610 122.820 0.082 0.000 2.566 237 A HA 0.883 5.202 4.320 -0.001 0.000 0.292 237 A C -1.155 176.495 177.584 0.110 0.000 1.112 237 A CA -0.706 51.312 52.037 -0.030 0.000 0.707 237 A CB 1.220 20.157 19.000 -0.105 0.000 1.302 237 A HN 0.804 nan 8.150 nan 0.000 0.409 238 I N 0.543 121.182 120.570 0.114 0.000 2.692 238 I HA 0.608 4.777 4.170 -0.001 0.000 0.293 238 I C -0.587 175.691 176.117 0.269 0.000 1.200 238 I CA -0.122 61.354 61.300 0.292 0.000 1.036 238 I CB 2.381 40.468 38.000 0.144 0.000 1.258 238 I HN 0.779 nan 8.210 nan 0.000 0.421 239 T N 6.276 121.010 114.554 0.300 0.000 2.772 239 T HA 0.549 4.898 4.350 -0.001 0.000 0.288 239 T C -0.699 173.854 174.700 -0.245 0.000 0.994 239 T CA -0.474 61.636 62.100 0.018 0.000 0.951 239 T CB 0.787 69.615 68.868 -0.066 0.000 0.933 239 T HN 0.291 nan 8.240 nan 0.000 0.447 240 V N 6.770 126.495 119.914 -0.316 0.000 2.408 240 V HA 0.392 4.511 4.120 -0.001 0.000 0.267 240 V C 0.098 175.921 176.094 -0.452 0.000 1.047 240 V CA -0.540 61.556 62.300 -0.341 0.000 0.937 240 V CB -0.572 30.991 31.823 -0.435 0.000 0.999 240 V HN 0.827 nan 8.190 nan 0.000 0.472 241 F N 5.447 125.340 119.950 -0.095 0.000 2.321 241 F HA 0.470 4.996 4.527 -0.001 0.000 0.318 241 F C -1.806 173.919 175.800 -0.125 0.000 1.129 241 F CA -2.309 55.579 58.000 -0.186 0.000 1.074 241 F CB 0.572 39.474 39.000 -0.163 0.000 1.432 241 F HN 0.305 nan 8.300 nan 0.000 0.502 242 P HA 0.024 nan 4.420 nan 0.000 0.271 242 P C -1.330 176.010 177.300 0.067 0.000 1.226 242 P CA -0.362 62.669 63.100 -0.115 0.000 0.765 242 P CB 0.258 31.731 31.700 -0.378 0.000 0.835 243 Q N 3.668 123.494 119.800 0.044 0.000 2.304 243 Q HA -0.044 4.295 4.340 -0.001 0.000 0.301 243 Q C 0.155 176.057 176.000 -0.163 0.000 1.063 243 Q CA -0.151 55.415 55.803 -0.395 0.000 0.947 243 Q CB 0.681 28.883 28.738 -0.893 0.000 1.201 243 Q HN 0.369 nan 8.270 nan 0.000 0.389 244 R N 1.980 122.394 120.500 -0.142 0.000 2.640 244 R HA -0.049 4.290 4.340 -0.001 0.000 0.270 244 R C 0.077 176.349 176.300 -0.047 0.000 1.024 244 R CA 0.893 56.977 56.100 -0.028 0.000 1.085 244 R CB 0.490 30.771 30.300 -0.032 0.000 0.963 244 R HN 0.994 nan 8.270 nan 0.000 0.426 245 S N 1.969 117.687 115.700 0.030 0.000 3.049 245 S HA -0.029 4.440 4.470 -0.001 0.000 0.182 245 S C 0.669 175.290 174.600 0.035 0.000 0.725 245 S CA 0.194 58.415 58.200 0.034 0.000 0.811 245 S CB -0.081 63.170 63.200 0.086 0.000 0.801 245 S HN 0.810 nan 8.310 nan 0.000 0.627 246 D N 0.362 120.802 120.400 0.066 0.000 2.368 246 D HA 0.387 5.027 4.640 -0.001 0.000 0.218 246 D C 1.301 177.584 176.300 -0.028 0.000 1.112 246 D CA 0.444 54.458 54.000 0.023 0.000 0.834 246 D CB -0.135 40.690 40.800 0.043 0.000 0.953 246 D HN 0.813 nan 8.370 nan 0.000 0.505 247 G N 0.855 109.640 108.800 -0.024 0.000 2.212 247 G HA2 -0.408 3.551 3.960 -0.001 0.000 0.266 247 G HA3 -0.408 3.551 3.960 -0.001 0.000 0.266 247 G C 1.063 175.901 174.900 -0.103 0.000 0.978 247 G CA 0.624 45.695 45.100 -0.049 0.000 0.632 247 G HN 0.476 nan 8.290 nan 0.000 0.537 248 K N -0.215 120.063 120.400 -0.204 0.000 2.358 248 K HA 0.198 4.517 4.320 -0.001 0.000 0.200 248 K C 0.470 176.733 176.600 -0.561 0.000 1.030 248 K CA 0.102 56.160 56.287 -0.382 0.000 1.097 248 K CB 0.321 32.542 32.500 -0.465 0.000 0.862 248 K HN 0.535 nan 8.250 nan 0.000 0.534 249 H N 0.773 119.845 119.070 0.004 0.000 2.587 249 H HA 0.195 4.750 4.556 -0.001 0.000 0.245 249 H C -0.840 174.509 175.328 0.036 0.000 1.238 249 H CA -0.663 55.386 56.048 0.002 0.000 0.963 249 H CB 0.072 29.857 29.762 0.038 0.000 1.904 249 H HN 0.009 nan 8.280 nan 0.000 0.584 250 D N 0.821 121.268 120.400 0.079 0.000 2.458 250 D HA 0.012 4.651 4.640 -0.001 0.000 0.243 250 D C 0.024 176.370 176.300 0.077 0.000 1.146 250 D CA 0.389 54.464 54.000 0.125 0.000 0.877 250 D CB 0.520 41.367 40.800 0.079 0.000 1.176 250 D HN 0.083 nan 8.370 nan 0.000 0.461 251 F N 3.148 123.148 119.950 0.082 0.000 2.390 251 F HA 0.299 4.825 4.527 -0.001 0.000 0.361 251 F C 0.919 176.759 175.800 0.067 0.000 1.124 251 F CA -0.275 57.754 58.000 0.047 0.000 1.149 251 F CB 0.586 39.605 39.000 0.030 0.000 1.160 251 F HN -0.155 nan 8.300 nan 0.000 0.501 252 R N 4.167 124.773 120.500 0.178 0.000 2.502 252 R HA 0.407 4.746 4.340 -0.001 0.000 0.300 252 R C -1.402 175.055 176.300 0.261 0.000 0.984 252 R CA -1.107 55.129 56.100 0.226 0.000 0.882 252 R CB 1.968 32.434 30.300 0.278 0.000 1.180 252 R HN 0.504 nan 8.270 nan 0.000 0.444 253 L N 2.814 124.158 121.223 0.202 0.000 2.315 253 L HA 0.215 4.554 4.340 -0.001 0.000 0.283 253 L C 0.703 177.760 176.870 0.312 0.000 1.089 253 L CA 0.096 55.056 54.840 0.199 0.000 0.833 253 L CB 0.390 42.507 42.059 0.098 0.000 1.170 253 L HN 0.559 nan 8.230 nan 0.000 0.442 254 W N 1.251 122.583 121.300 0.053 0.000 3.077 254 W HA 0.041 4.700 4.660 -0.001 0.000 0.245 254 W C 0.472 176.922 176.519 -0.114 0.000 1.316 254 W CA -0.492 56.911 57.345 0.096 0.000 1.537 254 W CB -0.926 28.699 29.460 0.275 0.000 1.131 254 W HN 0.466 nan 8.180 nan 0.000 0.695 255 N N -0.628 118.119 118.700 0.079 0.000 2.524 255 N HA 0.076 4.815 4.740 -0.001 0.000 0.283 255 N C 1.288 176.689 175.510 -0.183 0.000 1.142 255 N CA 0.433 53.380 53.050 -0.172 0.000 0.984 255 N CB 1.124 39.642 38.487 0.052 0.000 1.155 255 N HN -0.180 nan 8.380 nan 0.000 0.467 256 S N 0.903 116.462 115.700 -0.235 0.000 2.377 256 S HA -0.043 4.426 4.470 -0.001 0.000 0.223 256 S C 0.231 174.787 174.600 -0.074 0.000 1.030 256 S CA 0.678 58.810 58.200 -0.114 0.000 0.970 256 S CB -0.181 62.983 63.200 -0.061 0.000 0.830 256 S HN 0.680 nan 8.310 nan 0.000 0.473 257 Q N -0.572 119.189 119.800 -0.065 0.000 2.451 257 Q HA 0.523 4.862 4.340 -0.001 0.000 0.281 257 Q C -0.096 175.831 176.000 -0.120 0.000 1.099 257 Q CA -0.991 54.758 55.803 -0.090 0.000 0.806 257 Q CB 1.194 29.917 28.738 -0.025 0.000 1.419 257 Q HN -0.070 nan 8.270 nan 0.000 0.427 258 L N 0.631 121.760 121.223 -0.156 0.000 1.944 258 L HA -0.082 4.258 4.340 -0.001 0.000 0.218 258 L C 0.714 177.459 176.870 -0.209 0.000 1.075 258 L CA 1.863 56.610 54.840 -0.154 0.000 0.767 258 L CB -0.431 41.524 42.059 -0.173 0.000 0.890 258 L HN 0.608 nan 8.230 nan 0.000 0.434 259 I N -0.957 119.404 120.570 -0.348 0.000 2.365 259 I HA 0.382 4.551 4.170 -0.001 0.000 0.291 259 I C -0.020 175.480 176.117 -1.027 0.000 1.004 259 I CA -0.061 60.860 61.300 -0.632 0.000 1.311 259 I CB 1.120 38.712 38.000 -0.680 0.000 1.401 259 I HN 0.149 nan 8.210 nan 0.000 0.491 260 R N 4.891 124.889 120.500 -0.837 0.000 2.764 260 R HA 0.340 4.679 4.340 -0.001 0.000 0.250 260 R C -2.034 174.093 176.300 -0.289 0.000 1.122 260 R CA -0.708 55.116 56.100 -0.461 0.000 1.022 260 R CB 0.650 30.873 30.300 -0.128 0.000 1.266 260 R HN 0.347 nan 8.270 nan 0.000 0.454 261 Y N 2.289 122.637 120.300 0.079 0.000 2.299 261 Y HA 0.583 5.132 4.550 -0.001 0.000 0.326 261 Y C 1.137 177.057 175.900 0.034 0.000 1.164 261 Y CA 0.281 58.440 58.100 0.099 0.000 1.234 261 Y CB 1.347 39.926 38.460 0.197 0.000 1.219 261 Y HN 0.760 nan 8.280 nan 0.000 0.497 262 A N 1.791 124.701 122.820 0.150 0.000 2.429 262 A HA 0.548 4.867 4.320 -0.001 0.000 0.242 262 A C 0.567 178.036 177.584 -0.193 0.000 1.088 262 A CA 0.374 52.331 52.037 -0.133 0.000 0.784 262 A CB -0.318 18.537 19.000 -0.241 0.000 1.038 262 A HN 0.940 nan 8.150 nan 0.000 0.501 263 G N -0.432 108.115 108.800 -0.422 0.000 2.707 263 G HA2 0.575 4.534 3.960 -0.001 0.000 0.299 263 G HA3 0.575 4.534 3.960 -0.001 0.000 0.299 263 G C -1.376 173.302 174.900 -0.369 0.000 1.442 263 G CA -0.312 44.627 45.100 -0.268 0.000 1.009 263 G HN 0.518 nan 8.290 nan 0.000 0.515 264 Y N 0.331 120.679 120.300 0.080 0.000 2.429 264 Y HA 0.539 5.089 4.550 -0.001 0.000 0.342 264 Y C 0.329 176.284 175.900 0.091 0.000 1.004 264 Y CA -1.185 56.989 58.100 0.123 0.000 1.075 264 Y CB 2.388 40.993 38.460 0.243 0.000 1.214 264 Y HN 0.496 nan 8.280 nan 0.000 0.455 265 Q N 2.686 122.623 119.800 0.229 0.000 2.293 265 Q HA 0.301 4.640 4.340 -0.001 0.000 0.263 265 Q C -1.088 174.992 176.000 0.133 0.000 1.002 265 Q CA 0.007 55.893 55.803 0.139 0.000 0.910 265 Q CB 0.468 29.264 28.738 0.096 0.000 1.185 265 Q HN 0.517 nan 8.270 nan 0.000 0.401 266 M N 5.815 125.467 119.600 0.087 0.000 2.444 266 M HA 0.322 4.802 4.480 -0.001 0.000 0.319 266 M C -1.685 174.623 176.300 0.012 0.000 1.183 266 M CA -2.749 52.575 55.300 0.040 0.000 1.032 266 M CB 0.588 33.208 32.600 0.034 0.000 1.569 266 M HN 0.463 nan 8.290 nan 0.000 0.468 267 P HA -0.093 nan 4.420 nan 0.000 0.221 267 P C 0.284 177.578 177.300 -0.011 0.000 1.150 267 P CA 1.105 64.193 63.100 -0.021 0.000 0.800 267 P CB 0.152 31.825 31.700 -0.044 0.000 0.787 268 D N -1.003 119.392 120.400 -0.009 0.000 2.384 268 D HA -0.056 4.584 4.640 -0.001 0.000 0.222 268 D C 1.744 178.047 176.300 0.005 0.000 0.976 268 D CA 1.489 55.487 54.000 -0.003 0.000 0.915 268 D CB -0.609 40.191 40.800 0.001 0.000 0.896 268 D HN 0.260 nan 8.370 nan 0.000 0.523 269 G N 0.633 109.438 108.800 0.009 0.000 2.225 269 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.254 269 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.254 269 G C 0.809 175.722 174.900 0.021 0.000 0.988 269 G CA 0.843 45.951 45.100 0.014 0.000 0.625 269 G HN 0.585 nan 8.290 nan 0.000 0.527 270 T N -0.895 113.672 114.554 0.023 0.000 2.689 270 T HA 0.658 5.007 4.350 -0.001 0.000 0.308 270 T C 0.427 175.152 174.700 0.041 0.000 1.021 270 T CA 0.014 62.132 62.100 0.031 0.000 0.973 270 T CB 1.444 70.331 68.868 0.031 0.000 1.113 270 T HN 0.703 nan 8.240 nan 0.000 0.522 271 I N 0.609 121.206 120.570 0.045 0.000 2.468 271 I HA 0.407 4.576 4.170 -0.001 0.000 0.285 271 I C 0.040 176.194 176.117 0.061 0.000 1.039 271 I CA -0.846 60.487 61.300 0.056 0.000 1.074 271 I CB 1.987 40.007 38.000 0.033 0.000 1.228 271 I HN 0.644 nan 8.210 nan 0.000 0.436 272 R N 4.463 125.031 120.500 0.112 0.000 2.428 272 R HA 0.756 5.095 4.340 -0.001 0.000 0.294 272 R C 0.425 176.816 176.300 0.151 0.000 1.000 272 R CA 0.603 56.780 56.100 0.129 0.000 0.960 272 R CB 1.525 31.919 30.300 0.156 0.000 1.076 272 R HN 0.897 nan 8.270 nan 0.000 0.475 273 G N 2.518 111.352 108.800 0.057 0.000 2.466 273 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.218 273 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.218 273 G C -1.277 173.389 174.900 -0.391 0.000 1.237 273 G CA -0.025 45.071 45.100 -0.006 0.000 0.954 273 G HN 0.660 nan 8.290 nan 0.000 0.580 274 D N 1.623 121.845 120.400 -0.297 0.000 2.411 274 D HA 0.610 5.249 4.640 -0.001 0.000 0.225 274 D C 1.465 177.655 176.300 -0.184 0.000 1.156 274 D CA 0.751 54.490 54.000 -0.434 0.000 0.874 274 D CB 0.750 41.602 40.800 0.087 0.000 1.034 274 D HN 0.939 nan 8.370 nan 0.000 0.502 275 A N 3.982 126.677 122.820 -0.208 0.000 1.978 275 A HA -0.112 4.208 4.320 -0.001 0.000 0.220 275 A C 2.132 179.716 177.584 0.001 0.000 1.170 275 A CA 1.795 53.789 52.037 -0.073 0.000 0.636 275 A CB -0.403 18.566 19.000 -0.052 0.000 0.810 275 A HN 0.637 nan 8.150 nan 0.000 0.448 276 A N -0.246 122.598 122.820 0.040 0.000 1.940 276 A HA -0.135 4.184 4.320 -0.001 0.000 0.219 276 A C 2.309 179.960 177.584 0.112 0.000 1.176 276 A CA 2.406 54.506 52.037 0.105 0.000 0.631 276 A CB -1.277 17.816 19.000 0.156 0.000 0.814 276 A HN 0.880 nan 8.150 nan 0.000 0.446 277 T N -2.437 112.179 114.554 0.102 0.000 3.129 277 T HA 0.180 4.529 4.350 -0.001 0.000 0.251 277 T C 1.559 176.290 174.700 0.052 0.000 1.117 277 T CA 0.616 62.790 62.100 0.123 0.000 1.034 277 T CB -0.432 68.521 68.868 0.142 0.000 0.968 277 T HN 0.294 nan 8.240 nan 0.000 0.526 278 L N 1.030 122.259 121.223 0.010 0.000 2.034 278 L HA -0.236 4.103 4.340 -0.001 0.000 0.217 278 L C 2.742 179.591 176.870 -0.035 0.000 1.077 278 L CA 2.423 57.243 54.840 -0.033 0.000 0.769 278 L CB -0.333 41.723 42.059 -0.006 0.000 0.890 278 L HN 0.448 nan 8.230 nan 0.000 0.435 279 E N -1.194 119.010 120.200 0.007 0.000 2.158 279 E HA -0.247 4.103 4.350 -0.001 0.000 0.191 279 E C 2.062 178.619 176.600 -0.073 0.000 0.982 279 E CA 0.901 57.288 56.400 -0.021 0.000 0.823 279 E CB -0.189 29.522 29.700 0.018 0.000 0.766 279 E HN 0.558 nan 8.360 nan 0.000 0.468 280 F N 1.659 121.486 119.950 -0.205 0.000 2.325 280 F HA -0.038 4.488 4.527 -0.001 0.000 0.299 280 F C 2.026 177.681 175.800 -0.241 0.000 1.090 280 F CA 1.463 59.290 58.000 -0.288 0.000 1.392 280 F CB -0.504 38.392 39.000 -0.172 0.000 1.053 280 F HN -0.070 nan 8.300 nan 0.000 0.521 281 T N 0.127 114.489 114.554 -0.321 0.000 2.622 281 T HA -0.295 4.054 4.350 -0.001 0.000 0.266 281 T C 1.769 176.294 174.700 -0.291 0.000 1.047 281 T CA 1.845 63.696 62.100 -0.415 0.000 1.159 281 T CB -0.503 68.150 68.868 -0.358 0.000 0.863 281 T HN 0.242 nan 8.240 nan 0.000 0.422 282 Q N 0.561 120.254 119.800 -0.178 0.000 2.217 282 Q HA -0.138 4.201 4.340 -0.001 0.000 0.209 282 Q C 2.006 177.917 176.000 -0.148 0.000 0.988 282 Q CA 1.322 57.060 55.803 -0.107 0.000 0.878 282 Q CB -0.727 27.967 28.738 -0.073 0.000 0.909 282 Q HN 0.453 nan 8.270 nan 0.000 0.424 283 L N -0.814 120.262 121.223 -0.245 0.000 2.005 283 L HA -0.171 4.168 4.340 -0.001 0.000 0.207 283 L C 2.246 178.978 176.870 -0.230 0.000 1.072 283 L CA 1.871 56.568 54.840 -0.239 0.000 0.744 283 L CB -0.928 40.963 42.059 -0.280 0.000 0.895 283 L HN 0.412 nan 8.230 nan 0.000 0.433 284 C N -0.148 118.909 119.300 -0.406 0.000 2.398 284 C HA -0.215 4.244 4.460 -0.001 0.000 0.276 284 C C 2.681 177.654 174.990 -0.028 0.000 1.222 284 C CA 0.643 59.469 59.018 -0.320 0.000 1.746 284 C CB -1.225 26.129 27.740 -0.645 0.000 2.039 284 C HN 0.567 nan 8.230 nan 0.000 0.470 285 I N 1.615 122.206 120.570 0.035 0.000 2.194 285 I HA -0.185 3.984 4.170 -0.001 0.000 0.246 285 I C 2.026 178.146 176.117 0.005 0.000 1.093 285 I CA 1.836 63.188 61.300 0.087 0.000 1.355 285 I CB -1.598 36.443 38.000 0.068 0.000 1.046 285 I HN 0.365 nan 8.210 nan 0.000 0.413 286 D N 0.616 120.988 120.400 -0.046 0.000 2.264 286 D HA -0.064 4.575 4.640 -0.001 0.000 0.208 286 D C 1.927 178.173 176.300 -0.089 0.000 0.966 286 D CA 0.797 54.751 54.000 -0.076 0.000 0.864 286 D CB -0.030 40.708 40.800 -0.104 0.000 0.933 286 D HN 0.346 nan 8.370 nan 0.000 0.499 287 L N -0.767 120.411 121.223 -0.075 0.000 2.728 287 L HA 0.298 4.638 4.340 -0.001 0.000 0.235 287 L C 1.423 178.262 176.870 -0.052 0.000 1.197 287 L CA 0.101 54.894 54.840 -0.078 0.000 0.992 287 L CB 0.179 42.187 42.059 -0.085 0.000 1.263 287 L HN 0.091 nan 8.230 nan 0.000 0.484 288 G N -1.140 107.646 108.800 -0.023 0.000 2.232 288 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.226 288 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.226 288 G C 0.036 174.951 174.900 0.026 0.000 0.996 288 G CA -0.339 44.749 45.100 -0.019 0.000 0.626 288 G HN 0.311 nan 8.290 nan 0.000 0.509 289 W N 2.194 123.412 121.300 -0.137 0.000 2.274 289 W HA 0.462 5.121 4.660 -0.001 0.000 0.345 289 W C 0.582 177.036 176.519 -0.109 0.000 1.265 289 W CA 1.252 58.519 57.345 -0.131 0.000 1.293 289 W CB 0.410 29.777 29.460 -0.156 0.000 1.175 289 W HN 0.726 nan 8.180 nan 0.000 0.577 290 K N 7.636 127.567 120.400 -0.781 0.000 2.292 290 K HA 0.338 4.657 4.320 -0.001 0.000 0.270 290 K C -2.567 173.320 176.600 -1.187 0.000 1.062 290 K CA -1.709 54.147 56.287 -0.718 0.000 0.916 290 K CB -0.198 32.007 32.500 -0.492 0.000 1.166 290 K HN 0.444 nan 8.250 nan 0.000 0.458 291 P HA 0.063 nan 4.420 nan 0.000 0.265 291 P C -0.298 176.488 177.300 -0.857 0.000 1.222 291 P CA -0.017 62.555 63.100 -0.879 0.000 0.767 291 P CB 0.723 31.886 31.700 -0.894 0.000 0.801 292 R N 2.257 122.398 120.500 -0.598 0.000 2.299 292 R HA 0.026 4.366 4.340 -0.001 0.000 0.197 292 R C 0.016 176.168 176.300 -0.247 0.000 0.971 292 R CA -0.208 55.710 56.100 -0.303 0.000 1.030 292 R CB -0.587 29.642 30.300 -0.118 0.000 0.932 292 R HN 0.400 nan 8.270 nan 0.000 0.477 293 Y N 0.478 120.423 120.300 -0.593 0.000 2.945 293 Y HA -0.236 4.314 4.550 -0.001 0.000 0.161 293 Y C 0.700 176.323 175.900 -0.462 0.000 1.672 293 Y CA 0.706 58.170 58.100 -1.060 0.000 0.920 293 Y CB -1.642 36.427 38.460 -0.652 0.000 1.489 293 Y HN 0.322 nan 8.280 nan 0.000 0.354 294 G N 0.354 109.102 108.800 -0.087 0.000 2.725 294 G HA2 0.581 4.540 3.960 -0.001 0.000 0.288 294 G HA3 0.581 4.540 3.960 -0.001 0.000 0.288 294 G C 0.232 175.243 174.900 0.185 0.000 1.399 294 G CA -1.081 44.085 45.100 0.111 0.000 0.859 294 G HN 0.246 nan 8.290 nan 0.000 0.479 295 R N -1.124 119.428 120.500 0.087 0.000 2.120 295 R HA 0.034 4.373 4.340 -0.001 0.000 0.234 295 R C 0.081 176.010 176.300 -0.618 0.000 1.123 295 R CA 1.319 57.293 56.100 -0.210 0.000 0.975 295 R CB -0.114 30.056 30.300 -0.216 0.000 0.866 295 R HN 0.373 nan 8.270 nan 0.000 0.446 296 F N 0.384 120.398 119.950 0.108 0.000 2.576 296 F HA 0.226 4.752 4.527 -0.001 0.000 0.365 296 F C -0.965 175.088 175.800 0.422 0.000 1.506 296 F CA -1.088 56.888 58.000 -0.040 0.000 1.113 296 F CB 0.680 39.482 39.000 -0.331 0.000 1.293 296 F HN -0.294 nan 8.300 nan 0.000 0.540 297 D N 1.660 122.398 120.400 0.564 0.000 2.336 297 D HA 0.181 4.821 4.640 -0.001 0.000 0.249 297 D C 0.215 176.809 176.300 0.488 0.000 1.213 297 D CA 0.143 54.457 54.000 0.523 0.000 0.870 297 D CB 1.761 42.890 40.800 0.548 0.000 1.076 297 D HN -0.050 nan 8.370 nan 0.000 0.483 298 V N 3.979 124.101 119.914 0.346 0.000 2.493 298 V HA -0.042 4.078 4.120 -0.001 0.000 0.292 298 V C 1.059 177.183 176.094 0.051 0.000 1.016 298 V CA -0.166 62.182 62.300 0.080 0.000 1.097 298 V CB 0.010 31.842 31.823 0.015 0.000 0.947 298 V HN 0.373 nan 8.190 nan 0.000 0.479 299 L N 8.301 129.431 121.223 -0.154 0.000 2.473 299 L HA 0.286 4.626 4.340 -0.001 0.000 0.268 299 L C -1.801 174.836 176.870 -0.388 0.000 1.215 299 L CA -1.377 53.192 54.840 -0.451 0.000 0.823 299 L CB 0.592 42.404 42.059 -0.412 0.000 1.099 299 L HN 0.471 nan 8.230 nan 0.000 0.483 300 P HA 0.080 nan 4.420 nan 0.000 0.281 300 P C -0.635 176.580 177.300 -0.142 0.000 1.252 300 P CA -0.671 62.219 63.100 -0.349 0.000 0.778 300 P CB 0.887 32.245 31.700 -0.570 0.000 0.895 301 L N 4.399 125.644 121.223 0.038 0.000 2.578 301 L HA -0.028 4.311 4.340 -0.001 0.000 0.279 301 L C 0.217 177.179 176.870 0.153 0.000 1.227 301 L CA 0.566 55.489 54.840 0.139 0.000 0.900 301 L CB -0.088 42.127 42.059 0.260 0.000 1.144 301 L HN 0.161 nan 8.230 nan 0.000 0.496 302 V N 6.419 126.428 119.914 0.158 0.000 2.340 302 V HA 0.287 4.406 4.120 -0.001 0.000 0.277 302 V C -0.427 175.686 176.094 0.031 0.000 1.017 302 V CA -0.828 61.522 62.300 0.084 0.000 0.820 302 V CB 1.375 33.271 31.823 0.122 0.000 1.028 302 V HN 0.353 nan 8.190 nan 0.000 0.436 303 L N 4.230 125.482 121.223 0.049 0.000 2.289 303 L HA 0.561 4.900 4.340 -0.001 0.000 0.285 303 L C 0.079 176.852 176.870 -0.161 0.000 1.049 303 L CA 0.028 54.870 54.840 0.003 0.000 0.804 303 L CB 1.285 43.408 42.059 0.106 0.000 1.195 303 L HN 0.692 nan 8.230 nan 0.000 0.428 304 Q N 2.376 122.063 119.800 -0.188 0.000 2.333 304 Q HA 0.767 5.106 4.340 -0.001 0.000 0.265 304 Q C -1.352 174.473 176.000 -0.292 0.000 0.989 304 Q CA -0.618 55.041 55.803 -0.241 0.000 0.842 304 Q CB 1.856 30.513 28.738 -0.136 0.000 1.262 304 Q HN 0.790 nan 8.270 nan 0.000 0.451 305 A N 3.749 126.309 122.820 -0.434 0.000 2.343 305 A HA 0.421 4.741 4.320 -0.001 0.000 0.316 305 A C -0.425 176.536 177.584 -1.038 0.000 1.104 305 A CA -0.346 51.095 52.037 -0.993 0.000 0.768 305 A CB 1.126 19.875 19.000 -0.418 0.000 1.213 305 A HN 1.023 nan 8.150 nan 0.000 0.456 306 D N 1.368 120.649 120.400 -1.865 0.000 2.704 306 D HA -0.102 4.537 4.640 -0.001 0.000 0.232 306 D C 1.334 177.540 176.300 -0.155 0.000 1.183 306 D CA 2.771 56.443 54.000 -0.545 0.000 0.647 306 D CB -0.956 39.758 40.800 -0.144 0.000 1.013 306 D HN 2.072 nan 8.370 nan 0.000 0.415 307 G N -0.550 108.149 108.800 -0.169 0.000 2.284 307 G HA2 -0.427 3.532 3.960 -0.001 0.000 0.261 307 G HA3 -0.427 3.532 3.960 -0.001 0.000 0.261 307 G C 0.435 175.316 174.900 -0.031 0.000 0.997 307 G CA 0.739 45.810 45.100 -0.048 0.000 0.621 307 G HN 0.656 nan 8.290 nan 0.000 0.534 308 Q N 1.313 121.066 119.800 -0.077 0.000 2.454 308 Q HA 0.446 4.785 4.340 -0.001 0.000 0.247 308 Q C 0.294 176.262 176.000 -0.054 0.000 1.028 308 Q CA -0.002 55.772 55.803 -0.048 0.000 0.910 308 Q CB 0.344 29.036 28.738 -0.077 0.000 1.276 308 Q HN 0.387 nan 8.270 nan 0.000 0.489 309 D N 2.750 123.130 120.400 -0.034 0.000 2.449 309 D HA 0.054 4.694 4.640 -0.001 0.000 0.236 309 D C -2.184 173.925 176.300 -0.319 0.000 1.149 309 D CA -0.687 53.200 54.000 -0.188 0.000 0.878 309 D CB 0.058 40.872 40.800 0.023 0.000 1.198 309 D HN 0.322 nan 8.370 nan 0.000 0.446 310 P HA 0.135 nan 4.420 nan 0.000 0.275 310 P C -0.696 176.389 177.300 -0.360 0.000 1.227 310 P CA -0.129 62.582 63.100 -0.649 0.000 0.781 310 P CB 0.875 31.768 31.700 -1.344 0.000 0.906 311 E N 0.750 120.790 120.200 -0.265 0.000 2.183 311 E HA 0.370 4.719 4.350 -0.001 0.000 0.271 311 E C -0.723 175.647 176.600 -0.384 0.000 0.919 311 E CA -1.104 55.114 56.400 -0.303 0.000 0.781 311 E CB 1.842 31.373 29.700 -0.282 0.000 1.140 311 E HN 0.149 nan 8.360 nan 0.000 0.402 312 V N 4.127 123.736 119.914 -0.510 0.000 2.465 312 V HA 0.354 4.473 4.120 -0.001 0.000 0.279 312 V C -0.623 175.034 176.094 -0.728 0.000 1.045 312 V CA -0.185 61.869 62.300 -0.409 0.000 0.938 312 V CB 0.037 31.716 31.823 -0.240 0.000 0.986 312 V HN 0.500 nan 8.190 nan 0.000 0.467 313 F N 1.764 121.580 119.950 -0.223 0.000 2.551 313 F HA 0.501 5.027 4.527 -0.001 0.000 0.316 313 F C 0.221 175.941 175.800 -0.133 0.000 1.089 313 F CA -0.790 56.994 58.000 -0.360 0.000 0.915 313 F CB 1.780 40.214 39.000 -0.944 0.000 1.186 313 F HN 0.382 nan 8.300 nan 0.000 0.456 314 E N 1.905 122.170 120.200 0.109 0.000 2.283 314 E HA 0.432 4.781 4.350 -0.001 0.000 0.278 314 E C -0.925 175.826 176.600 0.252 0.000 1.027 314 E CA -0.684 55.830 56.400 0.190 0.000 0.843 314 E CB 1.005 30.817 29.700 0.186 0.000 1.062 314 E HN 0.425 nan 8.360 nan 0.000 0.401 315 I N 6.708 127.411 120.570 0.223 0.000 2.452 315 I HA 0.095 4.264 4.170 -0.001 0.000 0.287 315 I C -2.046 174.172 176.117 0.169 0.000 1.079 315 I CA -1.756 59.673 61.300 0.215 0.000 1.387 315 I CB 0.659 38.723 38.000 0.107 0.000 1.404 315 I HN 0.368 nan 8.210 nan 0.000 0.522 316 P HA 0.032 nan 4.420 nan 0.000 0.259 316 P C -2.029 175.320 177.300 0.082 0.000 1.211 316 P CA -0.880 62.293 63.100 0.121 0.000 0.810 316 P CB -0.016 31.741 31.700 0.096 0.000 0.815 317 P HA -0.223 nan 4.420 nan 0.000 0.218 317 P C 0.793 178.124 177.300 0.053 0.000 1.150 317 P CA 1.432 64.574 63.100 0.071 0.000 0.841 317 P CB -0.078 31.666 31.700 0.074 0.000 0.784 318 D N -1.416 119.012 120.400 0.046 0.000 2.392 318 D HA -0.023 4.616 4.640 -0.001 0.000 0.228 318 D C 1.526 177.841 176.300 0.025 0.000 1.003 318 D CA 0.697 54.717 54.000 0.032 0.000 0.917 318 D CB 0.047 40.864 40.800 0.027 0.000 0.890 318 D HN 0.296 nan 8.370 nan 0.000 0.532 319 L N -0.211 121.029 121.223 0.028 0.000 2.575 319 L HA 0.089 4.428 4.340 -0.001 0.000 0.228 319 L C 0.657 177.541 176.870 0.023 0.000 1.075 319 L CA 0.148 54.998 54.840 0.018 0.000 0.867 319 L CB 0.924 42.986 42.059 0.005 0.000 1.097 319 L HN -0.247 nan 8.230 nan 0.000 0.485 320 V N 2.587 122.518 119.914 0.028 0.000 2.338 320 V HA 0.086 4.206 4.120 -0.001 0.000 0.255 320 V C 0.062 176.187 176.094 0.051 0.000 1.082 320 V CA -0.330 61.987 62.300 0.030 0.000 0.951 320 V CB 0.895 32.728 31.823 0.016 0.000 1.102 320 V HN 0.050 nan 8.190 nan 0.000 0.489 321 L N 6.165 127.425 121.223 0.062 0.000 2.380 321 L HA 0.478 4.817 4.340 -0.001 0.000 0.273 321 L C 0.106 177.024 176.870 0.079 0.000 1.138 321 L CA 0.669 55.541 54.840 0.055 0.000 0.832 321 L CB 0.726 42.809 42.059 0.041 0.000 1.124 321 L HN 0.658 nan 8.230 nan 0.000 0.454 322 E N 3.023 123.245 120.200 0.038 0.000 2.340 322 E HA 0.526 4.875 4.350 -0.001 0.000 0.273 322 E C -1.569 174.993 176.600 -0.064 0.000 0.891 322 E CA -0.928 55.496 56.400 0.040 0.000 0.757 322 E CB 2.458 32.208 29.700 0.084 0.000 1.231 322 E HN 0.354 nan 8.360 nan 0.000 0.439 323 V N 2.189 122.036 119.914 -0.112 0.000 2.357 323 V HA 0.230 4.350 4.120 -0.001 0.000 0.284 323 V C -0.110 175.938 176.094 -0.076 0.000 1.018 323 V CA -0.807 61.370 62.300 -0.205 0.000 0.841 323 V CB 1.318 32.804 31.823 -0.561 0.000 0.991 323 V HN 0.783 nan 8.190 nan 0.000 0.437 324 T N 4.825 119.338 114.554 -0.068 0.000 2.888 324 T HA 0.359 4.708 4.350 -0.001 0.000 0.301 324 T C 0.008 174.721 174.700 0.021 0.000 1.001 324 T CA -0.527 61.547 62.100 -0.043 0.000 1.147 324 T CB 0.406 69.247 68.868 -0.046 0.000 0.931 324 T HN 0.388 nan 8.240 nan 0.000 0.541 325 M N 3.996 123.631 119.600 0.059 0.000 2.084 325 M HA 0.297 4.776 4.480 -0.001 0.000 0.351 325 M C 0.350 176.825 176.300 0.293 0.000 1.240 325 M CA -0.125 55.299 55.300 0.205 0.000 1.083 325 M CB 0.200 32.952 32.600 0.254 0.000 1.593 325 M HN 0.888 nan 8.290 nan 0.000 0.463 326 E N 2.572 122.968 120.200 0.327 0.000 2.256 326 E HA 0.339 4.689 4.350 -0.001 0.000 0.268 326 E C -1.244 175.465 176.600 0.182 0.000 0.877 326 E CA -0.765 55.847 56.400 0.354 0.000 0.757 326 E CB 1.909 31.727 29.700 0.196 0.000 1.183 326 E HN 0.613 nan 8.360 nan 0.000 0.418 327 H N 4.320 123.300 119.070 -0.151 0.000 2.582 327 H HA 0.153 4.709 4.556 -0.001 0.000 0.345 327 H C -1.701 173.441 175.328 -0.311 0.000 1.104 327 H CA -1.723 54.028 56.048 -0.495 0.000 1.390 327 H CB 1.825 31.094 29.762 -0.822 0.000 1.461 327 H HN 0.502 nan 8.280 nan 0.000 0.551 328 P HA 0.132 nan 4.420 nan 0.000 0.257 328 P C -0.007 177.146 177.300 -0.245 0.000 1.325 328 P CA 0.423 63.209 63.100 -0.522 0.000 0.850 328 P CB 0.536 31.577 31.700 -1.099 0.000 1.324 329 K N -1.810 118.553 120.400 -0.061 0.000 2.603 329 K HA 0.146 4.465 4.320 -0.001 0.000 0.205 329 K C -0.216 176.384 176.600 0.001 0.000 1.500 329 K CA 0.061 56.297 56.287 -0.086 0.000 1.059 329 K CB 0.385 32.754 32.500 -0.218 0.000 1.416 329 K HN -0.066 nan 8.250 nan 0.000 0.562 330 Y N 2.982 123.273 120.300 -0.015 0.000 2.535 330 Y HA 0.190 4.739 4.550 -0.001 0.000 0.349 330 Y C 0.982 176.756 175.900 -0.210 0.000 0.992 330 Y CA -0.824 57.125 58.100 -0.251 0.000 1.248 330 Y CB 0.376 38.299 38.460 -0.895 0.000 1.124 330 Y HN 0.073 nan 8.280 nan 0.000 0.520 331 E N 3.089 123.390 120.200 0.168 0.000 2.152 331 E HA -0.161 4.188 4.350 -0.001 0.000 0.192 331 E C 1.452 178.130 176.600 0.130 0.000 0.983 331 E CA 1.026 57.508 56.400 0.137 0.000 0.818 331 E CB -0.109 29.688 29.700 0.161 0.000 0.758 331 E HN 0.855 nan 8.360 nan 0.000 0.467 332 W N 0.289 121.680 121.300 0.152 0.000 2.480 332 W HA -0.149 4.511 4.660 -0.001 0.000 0.257 332 W C 1.352 177.940 176.519 0.115 0.000 1.235 332 W CA 0.091 57.490 57.345 0.089 0.000 1.218 332 W CB -1.015 28.459 29.460 0.022 0.000 1.131 332 W HN -0.006 nan 8.180 nan 0.000 0.606 333 F N 2.705 122.331 119.950 -0.539 0.000 2.325 333 F HA -0.129 4.397 4.527 -0.001 0.000 0.299 333 F C 2.569 178.252 175.800 -0.194 0.000 1.090 333 F CA 2.046 59.714 58.000 -0.553 0.000 1.392 333 F CB -0.160 38.512 39.000 -0.547 0.000 1.053 333 F HN -0.104 nan 8.300 nan 0.000 0.521 334 Q N -0.268 119.521 119.800 -0.019 0.000 2.096 334 Q HA -0.162 4.177 4.340 -0.001 0.000 0.197 334 Q C 1.743 177.700 176.000 -0.072 0.000 0.964 334 Q CA 1.371 57.151 55.803 -0.039 0.000 0.838 334 Q CB -0.520 28.240 28.738 0.037 0.000 0.906 334 Q HN 0.448 nan 8.270 nan 0.000 0.444 335 E N 0.760 120.952 120.200 -0.013 0.000 2.394 335 E HA -0.186 4.163 4.350 -0.001 0.000 0.202 335 E C 1.447 178.025 176.600 -0.037 0.000 1.029 335 E CA 0.442 56.847 56.400 0.010 0.000 0.855 335 E CB 0.006 29.753 29.700 0.078 0.000 0.770 335 E HN 0.128 nan 8.360 nan 0.000 0.527 336 L N -0.650 120.487 121.223 -0.144 0.000 2.240 336 L HA 0.076 4.415 4.340 -0.001 0.000 0.211 336 L C 1.331 178.100 176.870 -0.167 0.000 1.106 336 L CA 1.441 56.156 54.840 -0.209 0.000 0.793 336 L CB -0.320 41.440 42.059 -0.498 0.000 0.927 336 L HN 0.227 nan 8.230 nan 0.000 0.446 337 G N -0.031 108.674 108.800 -0.159 0.000 2.256 337 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.272 337 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.272 337 G C -0.313 174.508 174.900 -0.131 0.000 1.076 337 G CA 0.079 45.122 45.100 -0.095 0.000 0.882 337 G HN 0.110 nan 8.290 nan 0.000 0.497 338 L N 0.018 121.090 121.223 -0.251 0.000 2.307 338 L HA 0.838 5.177 4.340 -0.001 0.000 0.284 338 L C 0.331 176.997 176.870 -0.340 0.000 1.023 338 L CA -0.895 53.750 54.840 -0.323 0.000 0.810 338 L CB 1.774 43.564 42.059 -0.450 0.000 1.231 338 L HN 0.551 nan 8.230 nan 0.000 0.423 339 K N 1.778 121.808 120.400 -0.618 0.000 2.399 339 K HA 0.752 5.071 4.320 -0.001 0.000 0.260 339 K C -1.494 175.178 176.600 0.120 0.000 1.049 339 K CA -0.875 55.251 56.287 -0.269 0.000 0.890 339 K CB 2.141 34.420 32.500 -0.368 0.000 1.430 339 K HN 0.426 nan 8.250 nan 0.000 0.459 340 W N 1.497 122.790 121.300 -0.010 0.000 3.363 340 W HA 0.262 4.921 4.660 -0.001 0.000 0.306 340 W C -1.173 175.424 176.519 0.131 0.000 1.253 340 W CA -0.881 56.516 57.345 0.088 0.000 1.195 340 W CB 1.273 30.664 29.460 -0.116 0.000 1.366 340 W HN 0.679 nan 8.180 nan 0.000 0.551 341 Y N 1.385 121.702 120.300 0.029 0.000 2.578 341 Y HA 0.383 4.933 4.550 -0.001 0.000 0.339 341 Y C 0.855 177.003 175.900 0.414 0.000 1.231 341 Y CA 0.553 58.712 58.100 0.097 0.000 1.461 341 Y CB 0.105 38.504 38.460 -0.101 0.000 1.323 341 Y HN 0.352 nan 8.280 nan 0.000 0.590 342 A N 3.096 126.196 122.820 0.467 0.000 2.238 342 A HA 0.176 4.496 4.320 -0.001 0.000 0.208 342 A C 0.153 178.125 177.584 0.647 0.000 1.177 342 A CA 0.034 52.404 52.037 0.554 0.000 0.804 342 A CB -0.315 18.832 19.000 0.245 0.000 0.823 342 A HN 0.677 nan 8.150 nan 0.000 0.482 343 L N 1.202 122.780 121.223 0.591 0.000 2.319 343 L HA 0.531 4.870 4.340 -0.001 0.000 0.281 343 L C -2.843 174.207 176.870 0.299 0.000 1.005 343 L CA -2.189 52.868 54.840 0.363 0.000 0.828 343 L CB 2.009 44.202 42.059 0.223 0.000 1.227 343 L HN -0.133 nan 8.230 nan 0.000 0.415 344 P HA 0.436 nan 4.420 nan 0.000 0.294 344 P C -1.490 175.764 177.300 -0.076 0.000 1.389 344 P CA -0.351 62.642 63.100 -0.178 0.000 0.875 344 P CB 1.451 32.702 31.700 -0.748 0.000 1.018 345 A N 4.153 126.937 122.820 -0.060 0.000 2.545 345 A HA 0.431 4.750 4.320 -0.001 0.000 0.300 345 A C -0.197 177.228 177.584 -0.266 0.000 1.252 345 A CA -0.682 51.266 52.037 -0.149 0.000 0.753 345 A CB 0.608 19.524 19.000 -0.139 0.000 1.144 345 A HN 0.281 nan 8.150 nan 0.000 0.457 346 V N 1.752 121.401 119.914 -0.442 0.000 2.599 346 V HA 0.255 4.374 4.120 -0.001 0.000 0.300 346 V C 1.298 177.020 176.094 -0.621 0.000 1.034 346 V CA 1.271 63.234 62.300 -0.562 0.000 1.115 346 V CB 0.930 32.231 31.823 -0.871 0.000 0.934 346 V HN 1.060 nan 8.190 nan 0.000 0.485 347 A N 3.898 126.516 122.820 -0.337 0.000 2.456 347 A HA 0.184 4.503 4.320 -0.001 0.000 0.237 347 A C 1.161 178.679 177.584 -0.111 0.000 1.217 347 A CA 0.335 52.241 52.037 -0.218 0.000 0.962 347 A CB -0.108 18.811 19.000 -0.135 0.000 1.079 347 A HN 0.947 nan 8.150 nan 0.000 0.536 348 N N -1.462 117.179 118.700 -0.099 0.000 2.197 348 N HA 0.309 5.048 4.740 -0.001 0.000 0.228 348 N C 0.045 175.584 175.510 0.048 0.000 1.212 348 N CA -0.281 52.760 53.050 -0.015 0.000 0.883 348 N CB 0.229 38.695 38.487 -0.035 0.000 1.107 348 N HN 0.248 nan 8.380 nan 0.000 0.519 349 M N 1.283 120.920 119.600 0.062 0.000 2.359 349 M HA 0.351 4.830 4.480 -0.001 0.000 0.322 349 M C -0.573 175.870 176.300 0.238 0.000 1.166 349 M CA -0.800 54.599 55.300 0.165 0.000 1.067 349 M CB 2.299 35.013 32.600 0.188 0.000 1.523 349 M HN 0.119 nan 8.290 nan 0.000 0.467 350 L N 2.267 123.656 121.223 0.275 0.000 2.309 350 L HA 0.522 4.862 4.340 -0.001 0.000 0.282 350 L C -1.329 175.753 176.870 0.354 0.000 1.036 350 L CA -0.941 54.073 54.840 0.290 0.000 0.806 350 L CB 1.282 43.475 42.059 0.223 0.000 1.220 350 L HN 0.560 nan 8.230 nan 0.000 0.429 351 L N 5.044 126.469 121.223 0.336 0.000 2.265 351 L HA 0.418 4.757 4.340 -0.001 0.000 0.289 351 L C -0.374 176.639 176.870 0.238 0.000 1.033 351 L CA 0.225 55.196 54.840 0.218 0.000 0.814 351 L CB 1.021 43.171 42.059 0.152 0.000 1.203 351 L HN 0.597 nan 8.230 nan 0.000 0.423 352 E N 4.930 125.236 120.200 0.176 0.000 2.156 352 E HA 0.468 4.817 4.350 -0.001 0.000 0.279 352 E C -1.831 174.774 176.600 0.007 0.000 0.965 352 E CA -0.336 56.132 56.400 0.113 0.000 0.789 352 E CB 1.833 31.628 29.700 0.157 0.000 1.098 352 E HN 0.496 nan 8.360 nan 0.000 0.397 353 V N 3.121 122.994 119.914 -0.069 0.000 2.851 353 V HA 0.502 4.621 4.120 -0.001 0.000 0.307 353 V C 0.474 176.388 176.094 -0.300 0.000 1.129 353 V CA 0.446 62.575 62.300 -0.285 0.000 0.932 353 V CB 1.489 33.048 31.823 -0.439 0.000 1.024 353 V HN 0.877 nan 8.190 nan 0.000 0.426 354 G N 4.071 112.703 108.800 -0.280 0.000 2.337 354 G HA2 0.024 3.983 3.960 -0.001 0.000 0.290 354 G HA3 0.024 3.983 3.960 -0.001 0.000 0.290 354 G C 1.628 176.653 174.900 0.209 0.000 1.003 354 G CA 1.613 46.768 45.100 0.091 0.000 0.825 354 G HN 2.713 nan 8.290 nan 0.000 0.509 355 G N -1.937 106.908 108.800 0.075 0.000 2.258 355 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.233 355 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.233 355 G C 0.554 175.481 174.900 0.045 0.000 1.006 355 G CA 0.334 45.513 45.100 0.132 0.000 0.620 355 G HN 1.251 nan 8.290 nan 0.000 0.511 356 L N 1.018 122.226 121.223 -0.026 0.000 2.417 356 L HA 0.575 4.914 4.340 -0.001 0.000 0.268 356 L C 0.401 177.130 176.870 -0.235 0.000 1.158 356 L CA -0.083 54.633 54.840 -0.205 0.000 0.819 356 L CB 0.746 42.564 42.059 -0.401 0.000 1.112 356 L HN 0.229 nan 8.230 nan 0.000 0.458 357 E N 2.117 122.128 120.200 -0.316 0.000 2.199 357 E HA 0.393 4.743 4.350 -0.001 0.000 0.265 357 E C -1.511 174.903 176.600 -0.311 0.000 0.882 357 E CA -0.411 55.870 56.400 -0.198 0.000 0.759 357 E CB 1.829 31.464 29.700 -0.108 0.000 1.148 357 E HN 0.266 nan 8.360 nan 0.000 0.412 358 F N 3.584 123.547 119.950 0.020 0.000 2.293 358 F HA 0.292 4.819 4.527 -0.001 0.000 0.370 358 F C -1.738 174.128 175.800 0.110 0.000 1.090 358 F CA -2.137 55.897 58.000 0.057 0.000 1.133 358 F CB 1.405 40.431 39.000 0.043 0.000 1.360 358 F HN 0.360 nan 8.300 nan 0.000 0.489 359 P HA 0.044 nan 4.420 nan 0.000 0.245 359 P C -0.277 177.171 177.300 0.246 0.000 1.212 359 P CA 0.472 63.699 63.100 0.210 0.000 0.774 359 P CB 0.515 32.309 31.700 0.156 0.000 0.999 360 A N 0.370 123.382 122.820 0.320 0.000 2.357 360 A HA 0.598 4.918 4.320 -0.001 0.000 0.295 360 A C -0.429 177.383 177.584 0.380 0.000 1.121 360 A CA -0.499 51.740 52.037 0.337 0.000 0.742 360 A CB 0.462 19.672 19.000 0.349 0.000 1.181 360 A HN 0.249 nan 8.150 nan 0.000 0.454 361 C N 0.520 119.994 119.300 0.291 0.000 3.096 361 C HA 0.495 4.955 4.460 -0.001 0.000 0.329 361 C C -3.234 171.866 174.990 0.184 0.000 0.912 361 C CA -1.494 57.663 59.018 0.232 0.000 1.168 361 C CB -0.627 27.240 27.740 0.211 0.000 1.627 361 C HN 0.520 nan 8.230 nan 0.000 0.622 362 P HA 0.543 nan 4.420 nan 0.000 0.271 362 P C -0.421 176.843 177.300 -0.061 0.000 1.218 362 P CA 0.481 63.483 63.100 -0.164 0.000 0.780 362 P CB 0.316 31.900 31.700 -0.194 0.000 0.901 363 F N -0.690 119.204 119.950 -0.093 0.000 2.715 363 F HA 0.739 5.265 4.527 -0.001 0.000 0.318 363 F C -1.203 174.572 175.800 -0.043 0.000 1.141 363 F CA -1.396 56.587 58.000 -0.028 0.000 0.950 363 F CB 1.318 40.204 39.000 -0.189 0.000 1.374 363 F HN 0.417 nan 8.300 nan 0.000 0.477 364 N N -0.965 117.923 118.700 0.312 0.000 2.555 364 N HA 0.637 5.376 4.740 -0.001 0.000 0.265 364 N C -1.034 174.491 175.510 0.025 0.000 1.135 364 N CA -0.741 52.401 53.050 0.153 0.000 0.925 364 N CB 1.887 40.495 38.487 0.202 0.000 1.662 364 N HN 1.080 nan 8.380 nan 0.000 0.489 365 G N -0.292 108.452 108.800 -0.093 0.000 3.039 365 G HA2 0.665 4.625 3.960 -0.001 0.000 0.159 365 G HA3 0.665 4.625 3.960 -0.001 0.000 0.159 365 G C -1.275 173.572 174.900 -0.089 0.000 1.284 365 G CA -0.835 44.090 45.100 -0.292 0.000 0.996 365 G HN 0.712 nan 8.290 nan 0.000 0.592 366 W N -2.211 119.087 121.300 -0.003 0.000 2.804 366 W HA 0.787 5.446 4.660 -0.001 0.000 0.352 366 W C -1.401 175.101 176.519 -0.028 0.000 1.153 366 W CA -2.056 55.293 57.345 0.006 0.000 1.119 366 W CB 0.293 29.799 29.460 0.076 0.000 1.448 366 W HN 0.345 nan 8.180 nan 0.000 0.600 367 Y N 2.262 122.767 120.300 0.342 0.000 2.336 367 Y HA 0.247 4.796 4.550 -0.001 0.000 0.331 367 Y C 0.853 176.804 175.900 0.086 0.000 1.211 367 Y CA -0.734 57.434 58.100 0.113 0.000 1.346 367 Y CB 1.092 39.516 38.460 -0.060 0.000 1.271 367 Y HN 0.316 nan 8.280 nan 0.000 0.538 368 M N 2.603 122.339 119.600 0.226 0.000 2.238 368 M HA 0.362 4.841 4.480 -0.001 0.000 0.350 368 M C 0.988 177.293 176.300 0.008 0.000 1.138 368 M CA -0.133 55.234 55.300 0.112 0.000 1.040 368 M CB 1.397 34.045 32.600 0.079 0.000 1.639 368 M HN 0.864 nan 8.290 nan 0.000 0.451 369 G N 1.562 110.333 108.800 -0.049 0.000 2.442 369 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.219 369 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.219 369 G C 1.191 175.975 174.900 -0.194 0.000 1.141 369 G CA 1.567 46.564 45.100 -0.170 0.000 0.763 369 G HN 0.899 nan 8.290 nan 0.000 0.554 370 T N -0.819 113.651 114.554 -0.139 0.000 2.803 370 T HA -0.103 4.246 4.350 -0.001 0.000 0.269 370 T C 1.903 176.456 174.700 -0.245 0.000 1.052 370 T CA 1.662 63.624 62.100 -0.228 0.000 1.136 370 T CB -0.314 68.361 68.868 -0.321 0.000 0.864 370 T HN 0.474 nan 8.240 nan 0.000 0.467 371 E N 0.760 120.840 120.200 -0.200 0.000 2.049 371 E HA -0.110 4.239 4.350 -0.001 0.000 0.198 371 E C 2.114 178.475 176.600 -0.399 0.000 1.007 371 E CA 1.710 58.002 56.400 -0.181 0.000 0.809 371 E CB -0.295 29.437 29.700 0.054 0.000 0.749 371 E HN 0.602 nan 8.360 nan 0.000 0.450 372 I N 0.034 120.221 120.570 -0.638 0.000 2.188 372 I HA -0.104 4.065 4.170 -0.001 0.000 0.237 372 I C 2.571 178.127 176.117 -0.935 0.000 1.073 372 I CA 1.169 61.792 61.300 -1.129 0.000 1.359 372 I CB -0.443 36.800 38.000 -1.261 0.000 1.083 372 I HN 0.110 nan 8.210 nan 0.000 0.412 373 G N -0.083 108.427 108.800 -0.484 0.000 2.443 373 G HA2 -0.091 3.868 3.960 -0.001 0.000 0.219 373 G HA3 -0.091 3.868 3.960 -0.001 0.000 0.219 373 G C 1.536 176.417 174.900 -0.030 0.000 1.131 373 G CA 0.871 45.913 45.100 -0.098 0.000 0.775 373 G HN 0.240 nan 8.290 nan 0.000 0.547 374 V N -0.130 119.695 119.914 -0.148 0.000 2.627 374 V HA 0.113 4.233 4.120 -0.001 0.000 0.239 374 V C 2.702 178.734 176.094 -0.103 0.000 1.077 374 V CA 0.717 62.952 62.300 -0.107 0.000 1.103 374 V CB -0.123 31.598 31.823 -0.170 0.000 0.802 374 V HN 0.108 nan 8.190 nan 0.000 0.482 375 R N 0.594 120.992 120.500 -0.170 0.000 2.048 375 R HA -0.006 4.333 4.340 -0.001 0.000 0.224 375 R C 1.977 178.214 176.300 -0.104 0.000 1.163 375 R CA 1.434 57.454 56.100 -0.133 0.000 0.956 375 R CB -1.022 29.182 30.300 -0.160 0.000 0.849 375 R HN 0.427 nan 8.270 nan 0.000 0.435 376 D N 0.452 120.698 120.400 -0.255 0.000 2.149 376 D HA -0.134 4.505 4.640 -0.001 0.000 0.198 376 D C 1.755 178.027 176.300 -0.047 0.000 0.990 376 D CA 1.166 54.990 54.000 -0.294 0.000 0.839 376 D CB -0.136 40.065 40.800 -0.997 0.000 0.948 376 D HN 0.090 nan 8.370 nan 0.000 0.460 377 F N -0.238 119.643 119.950 -0.114 0.000 2.374 377 F HA 0.074 4.600 4.527 -0.001 0.000 0.291 377 F C 2.252 178.094 175.800 0.070 0.000 1.084 377 F CA -0.128 57.871 58.000 -0.000 0.000 1.413 377 F CB -0.437 38.530 39.000 -0.054 0.000 1.099 377 F HN 0.004 nan 8.300 nan 0.000 0.534 378 C N -0.979 118.446 119.300 0.209 0.000 2.926 378 C HA 0.204 4.663 4.460 -0.001 0.000 0.272 378 C C 0.207 175.252 174.990 0.091 0.000 1.249 378 C CA -0.682 58.419 59.018 0.137 0.000 1.691 378 C CB -0.780 27.010 27.740 0.084 0.000 1.983 378 C HN 0.074 nan 8.230 nan 0.000 0.615 379 D N 1.814 122.263 120.400 0.082 0.000 2.450 379 D HA 0.056 4.695 4.640 -0.001 0.000 0.247 379 D C 1.333 177.683 176.300 0.084 0.000 1.162 379 D CA 0.602 54.640 54.000 0.064 0.000 0.879 379 D CB 0.855 41.690 40.800 0.058 0.000 1.163 379 D HN 0.168 nan 8.370 nan 0.000 0.472 380 T N 1.774 116.368 114.554 0.067 0.000 2.718 380 T HA -0.270 4.080 4.350 -0.001 0.000 0.266 380 T C 1.548 176.289 174.700 0.069 0.000 1.033 380 T CA 1.602 63.743 62.100 0.067 0.000 1.151 380 T CB -0.033 68.868 68.868 0.056 0.000 0.853 380 T HN 0.548 nan 8.240 nan 0.000 0.466 381 Q N -0.301 119.544 119.800 0.075 0.000 2.282 381 Q HA 0.151 4.490 4.340 -0.001 0.000 0.206 381 Q C 1.424 177.464 176.000 0.067 0.000 0.878 381 Q CA 0.075 55.922 55.803 0.073 0.000 0.944 381 Q CB 0.302 29.098 28.738 0.097 0.000 1.100 381 Q HN 0.332 nan 8.270 nan 0.000 0.509 382 R N -0.359 120.187 120.500 0.078 0.000 1.835 382 R HA 0.240 4.580 4.340 -0.001 0.000 0.162 382 R C 0.917 177.216 176.300 -0.002 0.000 1.911 382 R CA 0.709 56.847 56.100 0.062 0.000 1.491 382 R CB -0.607 29.795 30.300 0.171 0.000 1.166 382 R HN 0.203 nan 8.270 nan 0.000 0.478 383 Y N -0.056 120.347 120.300 0.172 0.000 2.452 383 Y HA 0.190 4.740 4.550 -0.001 0.000 0.262 383 Y C 0.018 176.001 175.900 0.139 0.000 1.089 383 Y CA -0.291 57.923 58.100 0.191 0.000 1.262 383 Y CB 0.495 39.150 38.460 0.326 0.000 1.236 383 Y HN 0.222 nan 8.280 nan 0.000 0.512 384 N N 1.706 120.561 118.700 0.257 0.000 2.667 384 N HA -0.216 4.523 4.740 -0.001 0.000 0.263 384 N C 0.417 176.025 175.510 0.163 0.000 1.038 384 N CA 0.898 54.052 53.050 0.174 0.000 0.749 384 N CB -1.174 37.387 38.487 0.122 0.000 0.892 384 N HN 0.712 nan 8.380 nan 0.000 0.546 385 I N -3.136 117.534 120.570 0.168 0.000 3.783 385 I HA 0.061 4.230 4.170 -0.001 0.000 0.310 385 I C 1.909 178.111 176.117 0.141 0.000 1.274 385 I CA -0.322 61.048 61.300 0.116 0.000 1.294 385 I CB -0.160 37.856 38.000 0.027 0.000 1.051 385 I HN 0.206 nan 8.210 nan 0.000 0.435 386 L N 1.830 123.155 121.223 0.170 0.000 2.030 386 L HA -0.314 4.026 4.340 -0.001 0.000 0.222 386 L C 2.738 179.820 176.870 0.355 0.000 1.082 386 L CA 2.733 57.709 54.840 0.226 0.000 0.785 386 L CB -0.408 41.747 42.059 0.159 0.000 0.895 386 L HN 0.539 nan 8.230 nan 0.000 0.439 387 E N -0.300 120.089 120.200 0.316 0.000 2.012 387 E HA -0.289 4.060 4.350 -0.001 0.000 0.197 387 E C 2.004 178.647 176.600 0.073 0.000 1.007 387 E CA 1.477 58.001 56.400 0.206 0.000 0.816 387 E CB -0.136 29.620 29.700 0.093 0.000 0.762 387 E HN 0.279 nan 8.360 nan 0.000 0.451 388 E N 0.094 120.336 120.200 0.069 0.000 2.273 388 E HA -0.151 4.198 4.350 -0.001 0.000 0.198 388 E C 2.062 178.721 176.600 0.097 0.000 1.002 388 E CA 0.811 57.238 56.400 0.044 0.000 0.828 388 E CB 0.038 29.766 29.700 0.046 0.000 0.747 388 E HN 0.255 nan 8.360 nan 0.000 0.491 389 V N -0.467 119.551 119.914 0.173 0.000 2.488 389 V HA -0.094 4.025 4.120 -0.001 0.000 0.246 389 V C 2.317 178.559 176.094 0.246 0.000 1.046 389 V CA 1.621 64.097 62.300 0.293 0.000 1.053 389 V CB -0.596 31.414 31.823 0.313 0.000 0.679 389 V HN 0.286 nan 8.190 nan 0.000 0.458 390 G N -0.331 108.582 108.800 0.187 0.000 2.404 390 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.215 390 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.215 390 G C 1.742 176.547 174.900 -0.158 0.000 1.174 390 G CA 0.361 45.497 45.100 0.060 0.000 0.780 390 G HN 0.318 nan 8.290 nan 0.000 0.537 391 R N 0.181 120.557 120.500 -0.207 0.000 2.105 391 R HA -0.021 4.318 4.340 -0.001 0.000 0.239 391 R C 2.357 178.496 176.300 -0.269 0.000 1.135 391 R CA 1.024 56.986 56.100 -0.229 0.000 0.967 391 R CB -0.155 30.035 30.300 -0.183 0.000 0.861 391 R HN 0.282 nan 8.270 nan 0.000 0.442 392 R N -0.591 119.724 120.500 -0.308 0.000 2.320 392 R HA 0.125 4.464 4.340 -0.001 0.000 0.211 392 R C 1.459 177.075 176.300 -1.139 0.000 0.931 392 R CA 0.137 55.837 56.100 -0.667 0.000 1.071 392 R CB 0.192 30.157 30.300 -0.559 0.000 1.025 392 R HN 0.111 nan 8.270 nan 0.000 0.495 393 M N -0.602 118.660 119.600 -0.563 0.000 2.333 393 M HA 0.206 4.685 4.480 -0.001 0.000 0.257 393 M C 0.490 176.612 176.300 -0.297 0.000 1.078 393 M CA 0.283 55.328 55.300 -0.424 0.000 1.005 393 M CB 1.120 33.683 32.600 -0.063 0.000 1.444 393 M HN 0.329 nan 8.290 nan 0.000 0.496 394 G N 1.594 110.215 108.800 -0.297 0.000 2.160 394 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.251 394 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.251 394 G C -0.302 174.514 174.900 -0.140 0.000 1.008 394 G CA -0.015 44.960 45.100 -0.208 0.000 0.724 394 G HN 0.343 nan 8.290 nan 0.000 0.514 395 L N -0.233 120.905 121.223 -0.142 0.000 2.454 395 L HA 0.635 4.975 4.340 -0.001 0.000 0.256 395 L C 0.838 177.595 176.870 -0.189 0.000 1.136 395 L CA -1.010 53.773 54.840 -0.095 0.000 0.804 395 L CB 1.021 43.085 42.059 0.008 0.000 1.181 395 L HN 0.230 nan 8.230 nan 0.000 0.469 396 E N -0.355 119.762 120.200 -0.138 0.000 1.814 396 E HA 0.083 4.433 4.350 -0.001 0.000 0.264 396 E C 0.388 176.697 176.600 -0.486 0.000 1.179 396 E CA 0.364 56.666 56.400 -0.162 0.000 0.972 396 E CB -0.028 29.663 29.700 -0.015 0.000 1.077 396 E HN 0.565 nan 8.360 nan 0.000 0.417 397 T N 3.407 117.544 114.554 -0.695 0.000 3.085 397 T HA -0.026 4.323 4.350 -0.001 0.000 0.263 397 T C 0.502 174.649 174.700 -0.922 0.000 1.127 397 T CA 0.708 61.974 62.100 -1.391 0.000 1.103 397 T CB -0.115 68.065 68.868 -1.146 0.000 0.921 397 T HN 0.523 nan 8.240 nan 0.000 0.510 398 H N -0.354 118.536 119.070 -0.299 0.000 2.672 398 H HA 0.238 4.793 4.556 -0.001 0.000 0.277 398 H C 0.094 175.435 175.328 0.022 0.000 1.074 398 H CA 0.065 56.064 56.048 -0.082 0.000 1.173 398 H CB 0.762 30.479 29.762 -0.076 0.000 1.558 398 H HN 0.091 nan 8.280 nan 0.000 0.539 399 T N 2.321 116.963 114.554 0.146 0.000 2.977 399 T HA 0.087 4.436 4.350 -0.001 0.000 0.346 399 T C 1.125 176.006 174.700 0.301 0.000 1.140 399 T CA -0.297 61.913 62.100 0.184 0.000 1.040 399 T CB 1.207 70.150 68.868 0.124 0.000 1.046 399 T HN 0.056 nan 8.240 nan 0.000 0.494 400 L N 3.686 125.073 121.223 0.274 0.000 2.043 400 L HA -0.081 4.258 4.340 -0.001 0.000 0.212 400 L C 2.376 179.335 176.870 0.149 0.000 1.075 400 L CA 2.033 57.017 54.840 0.240 0.000 0.752 400 L CB -0.364 41.774 42.059 0.132 0.000 0.891 400 L HN 0.690 nan 8.230 nan 0.000 0.432 401 A N -1.995 120.900 122.820 0.125 0.000 2.235 401 A HA -0.063 4.256 4.320 -0.001 0.000 0.208 401 A C 2.311 179.953 177.584 0.095 0.000 1.172 401 A CA 0.992 53.077 52.037 0.080 0.000 0.786 401 A CB -0.785 18.255 19.000 0.065 0.000 0.804 401 A HN 0.543 nan 8.150 nan 0.000 0.479 402 S N -0.224 115.573 115.700 0.162 0.000 2.603 402 S HA 0.050 4.519 4.470 -0.001 0.000 0.229 402 S C 1.000 175.687 174.600 0.146 0.000 0.972 402 S CA 0.735 59.036 58.200 0.167 0.000 0.935 402 S CB -0.816 62.522 63.200 0.229 0.000 0.769 402 S HN 0.794 nan 8.310 nan 0.000 0.536 403 L N 0.068 121.341 121.223 0.084 0.000 4.232 403 L HA -0.196 4.144 4.340 -0.001 0.000 0.415 403 L C 1.651 178.523 176.870 0.003 0.000 1.168 403 L CA 0.955 55.794 54.840 -0.002 0.000 0.966 403 L CB -2.682 39.386 42.059 0.015 0.000 2.052 403 L HN 0.775 nan 8.230 nan 0.000 0.887 404 W N 0.570 121.884 121.300 0.024 0.000 2.350 404 W HA -0.183 4.476 4.660 -0.001 0.000 0.289 404 W C 1.716 178.254 176.519 0.032 0.000 1.215 404 W CA 1.374 58.735 57.345 0.026 0.000 1.236 404 W CB -0.730 28.738 29.460 0.014 0.000 1.130 404 W HN 0.256 nan 8.180 nan 0.000 0.541 405 K N 0.786 120.629 120.400 -0.927 0.000 2.057 405 K HA -0.170 4.149 4.320 -0.001 0.000 0.207 405 K C 1.534 177.957 176.600 -0.294 0.000 1.049 405 K CA 2.114 57.888 56.287 -0.855 0.000 0.931 405 K CB -0.349 31.559 32.500 -0.986 0.000 0.714 405 K HN -0.050 nan 8.250 nan 0.000 0.440 406 D N 0.366 120.644 120.400 -0.203 0.000 2.149 406 D HA -0.160 4.479 4.640 -0.001 0.000 0.198 406 D C 1.928 178.228 176.300 -0.000 0.000 0.990 406 D CA 1.185 55.137 54.000 -0.081 0.000 0.839 406 D CB -0.032 40.737 40.800 -0.052 0.000 0.948 406 D HN 0.036 nan 8.370 nan 0.000 0.460 407 R N 0.397 120.925 120.500 0.046 0.000 2.062 407 R HA 0.123 4.462 4.340 -0.001 0.000 0.226 407 R C 2.034 178.430 176.300 0.160 0.000 1.125 407 R CA 1.340 57.510 56.100 0.117 0.000 0.966 407 R CB -0.469 29.927 30.300 0.160 0.000 0.861 407 R HN 0.113 nan 8.270 nan 0.000 0.433 408 A N -0.247 122.687 122.820 0.191 0.000 1.855 408 A HA -0.110 4.209 4.320 -0.001 0.000 0.215 408 A C 2.275 179.967 177.584 0.179 0.000 1.191 408 A CA 1.600 53.779 52.037 0.237 0.000 0.613 408 A CB -1.030 18.160 19.000 0.317 0.000 0.829 408 A HN 0.191 nan 8.150 nan 0.000 0.442 409 V N 0.305 120.279 119.914 0.100 0.000 2.317 409 V HA -0.308 3.811 4.120 -0.001 0.000 0.251 409 V C 2.776 178.923 176.094 0.089 0.000 1.065 409 V CA 2.806 65.149 62.300 0.071 0.000 1.049 409 V CB -0.948 30.872 31.823 -0.004 0.000 0.651 409 V HN 0.721 nan 8.190 nan 0.000 0.450 410 T N -1.053 113.557 114.554 0.093 0.000 2.821 410 T HA -0.133 4.216 4.350 -0.001 0.000 0.267 410 T C 1.763 176.533 174.700 0.117 0.000 1.046 410 T CA 1.239 63.398 62.100 0.099 0.000 1.139 410 T CB -0.212 68.713 68.868 0.095 0.000 0.871 410 T HN 0.470 nan 8.240 nan 0.000 0.454 411 E N 1.489 121.792 120.200 0.170 0.000 2.028 411 E HA -0.003 4.347 4.350 -0.001 0.000 0.191 411 E C 2.360 179.044 176.600 0.140 0.000 0.988 411 E CA 0.704 57.239 56.400 0.224 0.000 0.799 411 E CB -0.571 29.316 29.700 0.313 0.000 0.755 411 E HN 0.507 nan 8.360 nan 0.000 0.447 412 I N 1.651 122.334 120.570 0.188 0.000 2.236 412 I HA -0.315 3.854 4.170 -0.001 0.000 0.249 412 I C 1.976 178.187 176.117 0.156 0.000 1.102 412 I CA 1.083 62.525 61.300 0.236 0.000 1.365 412 I CB -0.671 37.495 38.000 0.278 0.000 1.051 412 I HN 0.062 nan 8.210 nan 0.000 0.420 413 N N 1.208 119.968 118.700 0.100 0.000 2.028 413 N HA -0.147 4.592 4.740 -0.001 0.000 0.194 413 N C 2.084 177.601 175.510 0.011 0.000 1.050 413 N CA 1.887 54.973 53.050 0.060 0.000 0.848 413 N CB -0.820 37.714 38.487 0.077 0.000 1.038 413 N HN 0.411 nan 8.380 nan 0.000 0.423 414 V N 0.124 120.017 119.914 -0.034 0.000 2.546 414 V HA -0.173 3.946 4.120 -0.001 0.000 0.254 414 V C 2.094 178.051 176.094 -0.227 0.000 1.076 414 V CA 2.113 64.332 62.300 -0.135 0.000 1.087 414 V CB -1.038 30.661 31.823 -0.207 0.000 0.674 414 V HN 0.261 nan 8.190 nan 0.000 0.470 415 A N 0.116 122.765 122.820 -0.285 0.000 1.858 415 A HA -0.083 4.236 4.320 -0.001 0.000 0.216 415 A C 2.422 180.018 177.584 0.019 0.000 1.190 415 A CA 2.255 54.113 52.037 -0.299 0.000 0.617 415 A CB -1.019 17.632 19.000 -0.583 0.000 0.827 415 A HN 0.512 nan 8.150 nan 0.000 0.443 416 V N -0.106 119.865 119.914 0.095 0.000 2.287 416 V HA -0.247 3.872 4.120 -0.001 0.000 0.248 416 V C 2.565 178.738 176.094 0.131 0.000 1.053 416 V CA 2.000 64.397 62.300 0.161 0.000 1.027 416 V CB -0.753 31.103 31.823 0.056 0.000 0.646 416 V HN 0.485 nan 8.190 nan 0.000 0.447 417 L N -0.287 120.962 121.223 0.043 0.000 2.012 417 L HA -0.213 4.126 4.340 -0.001 0.000 0.210 417 L C 2.472 179.400 176.870 0.098 0.000 1.073 417 L CA 2.305 57.167 54.840 0.037 0.000 0.748 417 L CB -1.566 40.501 42.059 0.013 0.000 0.891 417 L HN 0.524 nan 8.230 nan 0.000 0.431 418 H N -1.191 117.864 119.070 -0.024 0.000 2.389 418 H HA -0.079 4.477 4.556 -0.001 0.000 0.299 418 H C 2.019 177.354 175.328 0.012 0.000 1.081 418 H CA 1.500 57.520 56.048 -0.047 0.000 1.345 418 H CB 0.572 30.241 29.762 -0.155 0.000 1.393 418 H HN 0.295 nan 8.280 nan 0.000 0.520 419 S N 0.256 115.932 115.700 -0.040 0.000 2.371 419 S HA -0.088 4.381 4.470 -0.001 0.000 0.224 419 S C 1.879 176.451 174.600 -0.048 0.000 1.029 419 S CA 0.869 59.022 58.200 -0.078 0.000 0.978 419 S CB -0.477 62.772 63.200 0.082 0.000 0.833 419 S HN 0.286 nan 8.310 nan 0.000 0.466 420 F N 2.156 122.062 119.950 -0.073 0.000 2.216 420 F HA -0.115 4.412 4.527 -0.001 0.000 0.300 420 F C 2.563 178.315 175.800 -0.079 0.000 1.085 420 F CA 1.054 59.027 58.000 -0.045 0.000 1.326 420 F CB -0.444 38.551 39.000 -0.008 0.000 1.027 420 F HN 0.235 nan 8.300 nan 0.000 0.497 421 Q N 0.142 119.971 119.800 0.049 0.000 2.033 421 Q HA -0.178 4.161 4.340 -0.001 0.000 0.196 421 Q C 2.301 178.240 176.000 -0.101 0.000 0.970 421 Q CA 1.571 57.358 55.803 -0.028 0.000 0.828 421 Q CB -0.310 28.410 28.738 -0.029 0.000 0.895 421 Q HN 0.427 nan 8.270 nan 0.000 0.440 422 K N 0.766 121.041 120.400 -0.209 0.000 2.103 422 K HA -0.218 4.102 4.320 -0.001 0.000 0.207 422 K C 1.287 177.806 176.600 -0.135 0.000 1.048 422 K CA 1.655 57.821 56.287 -0.201 0.000 0.930 422 K CB -0.102 32.207 32.500 -0.318 0.000 0.716 422 K HN 0.177 nan 8.250 nan 0.000 0.444 423 Q N 1.019 120.735 119.800 -0.140 0.000 2.247 423 Q HA 0.134 4.474 4.340 -0.001 0.000 0.205 423 Q C -0.788 175.149 176.000 -0.104 0.000 0.896 423 Q CA -0.419 55.310 55.803 -0.123 0.000 0.950 423 Q CB 0.218 28.862 28.738 -0.157 0.000 1.054 423 Q HN 0.302 nan 8.270 nan 0.000 0.482 424 N N 0.651 119.302 118.700 -0.080 0.000 2.629 424 N HA -0.152 4.587 4.740 -0.001 0.000 0.278 424 N C -1.510 173.969 175.510 -0.051 0.000 1.102 424 N CA 0.638 53.653 53.050 -0.059 0.000 0.759 424 N CB -0.812 37.641 38.487 -0.056 0.000 0.911 424 N HN 0.030 nan 8.380 nan 0.000 0.553 425 V N 1.263 121.167 119.914 -0.017 0.000 2.509 425 V HA 0.152 4.271 4.120 -0.001 0.000 0.289 425 V C 0.388 176.582 176.094 0.167 0.000 1.026 425 V CA -0.817 61.509 62.300 0.043 0.000 0.872 425 V CB 2.009 33.788 31.823 -0.073 0.000 1.017 425 V HN 0.396 nan 8.190 nan 0.000 0.436 426 T N 6.164 120.736 114.554 0.031 0.000 2.718 426 T HA 0.190 4.539 4.350 -0.001 0.000 0.265 426 T C -0.218 174.501 174.700 0.032 0.000 1.014 426 T CA 1.347 63.371 62.100 -0.126 0.000 1.172 426 T CB -0.041 68.565 68.868 -0.437 0.000 1.007 426 T HN 0.549 nan 8.240 nan 0.000 0.500 427 I N 2.540 123.091 120.570 -0.032 0.000 3.102 427 I HA 0.670 4.839 4.170 -0.001 0.000 0.310 427 I C -1.306 174.812 176.117 0.003 0.000 1.246 427 I CA -1.187 60.112 61.300 -0.001 0.000 0.979 427 I CB 2.239 40.151 38.000 -0.146 0.000 1.267 427 I HN 0.618 nan 8.210 nan 0.000 0.451 428 M N 4.377 124.027 119.600 0.083 0.000 2.271 428 M HA 0.357 4.836 4.480 -0.001 0.000 0.285 428 M C -1.824 174.524 176.300 0.081 0.000 1.059 428 M CA -0.592 54.773 55.300 0.107 0.000 0.940 428 M CB 1.644 34.383 32.600 0.232 0.000 1.636 428 M HN 0.664 nan 8.290 nan 0.000 0.460 429 D N 2.400 122.832 120.400 0.054 0.000 2.339 429 D HA 0.089 4.728 4.640 -0.001 0.000 0.245 429 D C 1.175 177.496 176.300 0.035 0.000 1.115 429 D CA -0.147 53.885 54.000 0.052 0.000 0.917 429 D CB 0.605 41.409 40.800 0.007 0.000 1.192 429 D HN 0.673 nan 8.370 nan 0.000 0.428 430 H N 0.622 119.695 119.070 0.005 0.000 2.521 430 H HA -0.105 4.450 4.556 -0.001 0.000 0.286 430 H C 0.863 176.125 175.328 -0.109 0.000 1.034 430 H CA 1.070 57.068 56.048 -0.083 0.000 1.278 430 H CB -0.492 29.166 29.762 -0.173 0.000 1.386 430 H HN 0.566 nan 8.280 nan 0.000 0.567 431 H N 1.319 120.164 119.070 -0.376 0.000 2.307 431 H HA -0.070 4.485 4.556 -0.001 0.000 0.303 431 H C 2.412 177.700 175.328 -0.067 0.000 1.073 431 H CA 2.252 58.177 56.048 -0.204 0.000 1.338 431 H CB -0.071 29.542 29.762 -0.249 0.000 1.389 431 H HN 0.559 nan 8.280 nan 0.000 0.503 432 T N -0.258 114.342 114.554 0.076 0.000 2.746 432 T HA -0.062 4.287 4.350 -0.001 0.000 0.267 432 T C 2.352 177.106 174.700 0.089 0.000 1.039 432 T CA 1.105 63.247 62.100 0.070 0.000 1.142 432 T CB -0.603 68.297 68.868 0.054 0.000 0.866 432 T HN 0.338 nan 8.240 nan 0.000 0.444 433 A N 1.934 124.807 122.820 0.088 0.000 1.884 433 A HA -0.139 4.180 4.320 -0.001 0.000 0.219 433 A C 2.738 180.395 177.584 0.123 0.000 1.197 433 A CA 2.414 54.515 52.037 0.107 0.000 0.637 433 A CB -1.338 17.713 19.000 0.085 0.000 0.827 433 A HN 0.548 nan 8.150 nan 0.000 0.450 434 S N -0.538 115.218 115.700 0.093 0.000 2.383 434 S HA -0.134 4.335 4.470 -0.001 0.000 0.227 434 S C 1.837 176.534 174.600 0.161 0.000 1.026 434 S CA 1.367 59.639 58.200 0.119 0.000 0.981 434 S CB -0.293 62.945 63.200 0.064 0.000 0.818 434 S HN 0.691 nan 8.310 nan 0.000 0.472 435 E N 0.705 120.978 120.200 0.122 0.000 2.107 435 E HA -0.069 4.280 4.350 -0.001 0.000 0.191 435 E C 2.214 178.885 176.600 0.118 0.000 0.982 435 E CA 0.811 57.275 56.400 0.106 0.000 0.809 435 E CB -0.213 29.533 29.700 0.076 0.000 0.756 435 E HN 0.345 nan 8.360 nan 0.000 0.459 436 S N 0.605 116.386 115.700 0.136 0.000 2.351 436 S HA -0.190 4.279 4.470 -0.001 0.000 0.220 436 S C 1.754 176.460 174.600 0.177 0.000 1.035 436 S CA 1.152 59.438 58.200 0.144 0.000 1.031 436 S CB -0.362 62.929 63.200 0.152 0.000 0.928 436 S HN 0.310 nan 8.310 nan 0.000 0.433 437 F N 2.209 122.206 119.950 0.078 0.000 2.065 437 F HA -0.157 4.369 4.527 -0.001 0.000 0.298 437 F C 2.239 178.123 175.800 0.141 0.000 1.112 437 F CA 1.929 59.988 58.000 0.098 0.000 1.212 437 F CB -0.450 38.584 39.000 0.056 0.000 0.975 437 F HN 0.185 nan 8.300 nan 0.000 0.476 438 M N 0.228 119.878 119.600 0.083 0.000 2.089 438 M HA -0.259 4.220 4.480 -0.001 0.000 0.257 438 M C 2.228 178.477 176.300 -0.086 0.000 1.071 438 M CA 1.871 57.154 55.300 -0.029 0.000 1.096 438 M CB -1.265 31.385 32.600 0.083 0.000 1.330 438 M HN 0.132 nan 8.290 nan 0.000 0.403 439 K N -0.205 120.191 120.400 -0.008 0.000 2.032 439 K HA -0.224 4.096 4.320 -0.001 0.000 0.209 439 K C 1.918 178.513 176.600 -0.008 0.000 1.048 439 K CA 2.011 58.303 56.287 0.008 0.000 0.927 439 K CB -0.776 31.755 32.500 0.052 0.000 0.712 439 K HN 0.452 nan 8.250 nan 0.000 0.441 440 H N -0.316 118.677 119.070 -0.129 0.000 2.353 440 H HA -0.045 4.510 4.556 -0.001 0.000 0.300 440 H C 2.025 177.222 175.328 -0.219 0.000 1.090 440 H CA 2.429 58.392 56.048 -0.142 0.000 1.327 440 H CB -0.155 29.511 29.762 -0.160 0.000 1.383 440 H HN 0.315 nan 8.280 nan 0.000 0.508 441 M N 0.307 119.643 119.600 -0.439 0.000 2.132 441 M HA -0.196 4.283 4.480 -0.001 0.000 0.263 441 M C 2.166 178.401 176.300 -0.109 0.000 1.065 441 M CA 1.987 57.050 55.300 -0.395 0.000 1.122 441 M CB -0.083 32.240 32.600 -0.462 0.000 1.365 441 M HN 0.575 nan 8.290 nan 0.000 0.411 442 Q N -0.341 119.399 119.800 -0.101 0.000 2.170 442 Q HA -0.167 4.172 4.340 -0.001 0.000 0.203 442 Q C 1.367 177.355 176.000 -0.021 0.000 0.976 442 Q CA 1.516 57.303 55.803 -0.026 0.000 0.858 442 Q CB -0.865 27.849 28.738 -0.040 0.000 0.907 442 Q HN 0.536 nan 8.270 nan 0.000 0.433 443 N N 1.217 119.863 118.700 -0.090 0.000 2.104 443 N HA -0.138 4.601 4.740 -0.001 0.000 0.190 443 N C 1.685 177.120 175.510 -0.126 0.000 1.024 443 N CA 1.361 54.361 53.050 -0.084 0.000 0.853 443 N CB -0.164 38.279 38.487 -0.073 0.000 1.008 443 N HN 0.317 nan 8.380 nan 0.000 0.424 444 E N -0.057 119.981 120.200 -0.269 0.000 2.072 444 E HA -0.126 4.224 4.350 -0.001 0.000 0.191 444 E C 1.912 178.382 176.600 -0.216 0.000 0.985 444 E CA 0.740 56.955 56.400 -0.308 0.000 0.801 444 E CB -0.407 28.992 29.700 -0.501 0.000 0.750 444 E HN 0.495 nan 8.360 nan 0.000 0.452 445 Y N 1.109 121.326 120.300 -0.139 0.000 2.145 445 Y HA -0.149 4.400 4.550 -0.001 0.000 0.286 445 Y C 2.719 178.587 175.900 -0.054 0.000 1.145 445 Y CA 1.508 59.564 58.100 -0.073 0.000 1.148 445 Y CB -0.277 38.150 38.460 -0.054 0.000 0.981 445 Y HN -0.044 nan 8.280 nan 0.000 0.507 446 R N -0.115 120.438 120.500 0.089 0.000 2.083 446 R HA -0.233 4.106 4.340 -0.001 0.000 0.237 446 R C 2.344 178.649 176.300 0.009 0.000 1.137 446 R CA 1.402 57.527 56.100 0.042 0.000 0.951 446 R CB -0.512 29.804 30.300 0.027 0.000 0.851 446 R HN 0.377 nan 8.270 nan 0.000 0.434 447 A N 1.314 124.122 122.820 -0.020 0.000 1.832 447 A HA -0.171 4.148 4.320 -0.001 0.000 0.214 447 A C 1.755 179.316 177.584 -0.039 0.000 1.200 447 A CA 1.767 53.791 52.037 -0.022 0.000 0.610 447 A CB -0.216 18.767 19.000 -0.028 0.000 0.842 447 A HN 0.519 nan 8.150 nan 0.000 0.444 448 R N -1.991 118.455 120.500 -0.091 0.000 2.629 448 R HA 0.421 4.760 4.340 -0.001 0.000 0.408 448 R C 0.648 176.867 176.300 -0.135 0.000 1.057 448 R CA 0.394 56.436 56.100 -0.096 0.000 1.119 448 R CB -0.604 29.633 30.300 -0.104 0.000 1.403 448 R HN 0.915 nan 8.270 nan 0.000 0.576 449 G N 0.040 108.754 108.800 -0.144 0.000 2.338 449 G HA2 -0.036 3.923 3.960 -0.001 0.000 0.296 449 G HA3 -0.036 3.923 3.960 -0.001 0.000 0.296 449 G C 0.236 174.923 174.900 -0.355 0.000 1.040 449 G CA 0.284 45.296 45.100 -0.147 0.000 1.004 449 G HN 0.979 nan 8.290 nan 0.000 0.509 450 G N -2.474 105.853 108.800 -0.789 0.000 2.328 450 G HA2 0.570 4.529 3.960 -0.001 0.000 0.299 450 G HA3 0.570 4.529 3.960 -0.001 0.000 0.299 450 G C -0.750 173.704 174.900 -0.743 0.000 1.435 450 G CA 0.320 44.854 45.100 -0.943 0.000 0.865 450 G HN 2.066 nan 8.290 nan 0.000 0.601 451 C N 1.654 120.699 119.300 -0.425 0.000 3.080 451 C HA 0.608 5.067 4.460 -0.001 0.000 0.388 451 C C -2.728 172.140 174.990 -0.204 0.000 1.079 451 C CA -1.049 57.828 59.018 -0.236 0.000 1.289 451 C CB 0.307 27.951 27.740 -0.162 0.000 1.702 451 C HN 0.686 nan 8.230 nan 0.000 0.516 452 P HA 0.389 nan 4.420 nan 0.000 0.262 452 P C -0.429 176.740 177.300 -0.218 0.000 1.182 452 P CA 0.822 63.494 63.100 -0.713 0.000 0.761 452 P CB 0.589 31.917 31.700 -0.621 0.000 0.795 453 A N 2.148 124.901 122.820 -0.112 0.000 2.517 453 A HA 0.461 4.780 4.320 -0.001 0.000 0.297 453 A C -1.386 176.235 177.584 0.063 0.000 1.050 453 A CA -0.484 51.582 52.037 0.048 0.000 0.694 453 A CB 1.304 20.449 19.000 0.242 0.000 1.277 453 A HN 0.431 nan 8.150 nan 0.000 0.400 454 D N 1.948 122.381 120.400 0.054 0.000 2.477 454 D HA 0.157 4.796 4.640 -0.001 0.000 0.239 454 D C 0.833 177.249 176.300 0.195 0.000 1.102 454 D CA -0.609 53.462 54.000 0.118 0.000 0.901 454 D CB 0.199 41.032 40.800 0.055 0.000 1.026 454 D HN 0.565 nan 8.370 nan 0.000 0.515 455 W N 4.421 125.742 121.300 0.034 0.000 2.290 455 W HA -0.296 4.363 4.660 -0.001 0.000 0.323 455 W C 1.730 178.264 176.519 0.024 0.000 1.260 455 W CA 1.665 59.016 57.345 0.009 0.000 1.266 455 W CB -0.183 29.265 29.460 -0.021 0.000 1.149 455 W HN 0.471 nan 8.180 nan 0.000 0.482 456 I N -1.230 119.592 120.570 0.421 0.000 2.248 456 I HA -0.328 3.842 4.170 -0.001 0.000 0.248 456 I C 1.892 178.051 176.117 0.069 0.000 1.107 456 I CA 1.680 63.158 61.300 0.297 0.000 1.373 456 I CB -0.703 37.499 38.000 0.337 0.000 1.055 456 I HN 0.132 nan 8.210 nan 0.000 0.418 457 W N 0.115 121.368 121.300 -0.078 0.000 2.576 457 W HA 0.085 4.745 4.660 -0.001 0.000 0.275 457 W C 2.153 178.539 176.519 -0.223 0.000 1.241 457 W CA 0.378 57.644 57.345 -0.132 0.000 1.328 457 W CB -0.212 29.192 29.460 -0.094 0.000 1.092 457 W HN -0.045 nan 8.180 nan 0.000 0.586 458 L N -0.068 121.087 121.223 -0.114 0.000 2.554 458 L HA 0.081 4.420 4.340 -0.001 0.000 0.226 458 L C 0.227 176.870 176.870 -0.379 0.000 1.137 458 L CA 0.223 54.877 54.840 -0.310 0.000 0.863 458 L CB -0.498 41.291 42.059 -0.449 0.000 0.985 458 L HN -0.366 nan 8.230 nan 0.000 0.451 459 V N 1.308 120.948 119.914 -0.457 0.000 2.370 459 V HA 0.267 4.387 4.120 -0.001 0.000 0.279 459 V C -1.897 173.997 176.094 -0.333 0.000 1.029 459 V CA -1.573 60.441 62.300 -0.476 0.000 0.870 459 V CB 1.312 32.641 31.823 -0.823 0.000 0.984 459 V HN 0.017 nan 8.190 nan 0.000 0.451 460 P HA 0.168 nan 4.420 nan 0.000 0.269 460 P C -2.172 174.973 177.300 -0.258 0.000 1.217 460 P CA -1.135 61.818 63.100 -0.245 0.000 0.783 460 P CB 0.014 31.591 31.700 -0.204 0.000 0.898 461 P HA -0.023 nan 4.420 nan 0.000 0.242 461 P C -0.153 177.021 177.300 -0.210 0.000 1.197 461 P CA 0.695 63.654 63.100 -0.235 0.000 0.765 461 P CB 0.070 31.627 31.700 -0.238 0.000 0.936 462 V N -7.058 112.700 119.914 -0.259 0.000 3.159 462 V HA 0.615 4.735 4.120 -0.001 0.000 0.308 462 V C 0.379 176.372 176.094 -0.168 0.000 1.190 462 V CA -0.822 61.357 62.300 -0.202 0.000 1.037 462 V CB 1.493 33.190 31.823 -0.210 0.000 1.060 462 V HN -0.132 nan 8.190 nan 0.000 0.437 463 S N 0.676 116.329 115.700 -0.079 0.000 3.490 463 S HA -0.201 4.268 4.470 -0.001 0.000 0.301 463 S C 1.545 176.103 174.600 -0.070 0.000 1.233 463 S CA 1.541 59.725 58.200 -0.026 0.000 0.914 463 S CB -1.647 61.603 63.200 0.083 0.000 1.047 463 S HN 2.161 nan 8.310 nan 0.000 0.602 464 G N 2.438 111.179 108.800 -0.099 0.000 2.839 464 G HA2 -0.402 3.557 3.960 -0.001 0.000 0.221 464 G HA3 -0.402 3.557 3.960 -0.001 0.000 0.221 464 G C 1.505 176.272 174.900 -0.221 0.000 1.271 464 G CA 2.218 47.267 45.100 -0.085 0.000 0.789 464 G HN 1.443 nan 8.290 nan 0.000 0.659 465 S N 0.148 115.449 115.700 -0.665 0.000 2.500 465 S HA 0.008 4.477 4.470 -0.001 0.000 0.239 465 S C 2.139 176.671 174.600 -0.113 0.000 0.989 465 S CA 1.105 58.753 58.200 -0.919 0.000 0.951 465 S CB -0.132 62.394 63.200 -1.123 0.000 0.759 465 S HN 0.241 nan 8.310 nan 0.000 0.523 466 I N 2.762 123.307 120.570 -0.040 0.000 2.761 466 I HA 0.027 4.196 4.170 -0.001 0.000 0.261 466 I C 1.420 177.622 176.117 0.141 0.000 1.198 466 I CA 0.726 62.078 61.300 0.086 0.000 1.482 466 I CB -2.065 36.005 38.000 0.116 0.000 1.100 466 I HN 0.500 nan 8.210 nan 0.000 0.445 467 T N -1.099 113.526 114.554 0.118 0.000 2.882 467 T HA 0.295 4.645 4.350 -0.001 0.000 0.287 467 T C -1.690 173.159 174.700 0.247 0.000 0.992 467 T CA -1.705 60.468 62.100 0.122 0.000 1.076 467 T CB 1.989 70.880 68.868 0.037 0.000 0.961 467 T HN -0.129 nan 8.240 nan 0.000 0.490 468 P HA -0.091 nan 4.420 nan 0.000 0.219 468 P C 1.835 179.342 177.300 0.346 0.000 1.146 468 P CA 0.846 64.047 63.100 0.167 0.000 0.808 468 P CB -0.357 31.397 31.700 0.090 0.000 0.779 469 V N -3.732 116.345 119.914 0.272 0.000 2.515 469 V HA -0.221 3.898 4.120 -0.001 0.000 0.250 469 V C 2.149 178.395 176.094 0.253 0.000 1.058 469 V CA 1.280 63.715 62.300 0.226 0.000 1.064 469 V CB -2.115 29.754 31.823 0.077 0.000 0.675 469 V HN -0.060 nan 8.190 nan 0.000 0.461 470 F N 2.600 122.610 119.950 0.100 0.000 2.115 470 F HA -0.272 4.254 4.527 -0.001 0.000 0.300 470 F C 2.264 178.302 175.800 0.397 0.000 1.092 470 F CA 2.653 60.762 58.000 0.181 0.000 1.245 470 F CB -0.406 38.598 39.000 0.007 0.000 0.995 470 F HN 0.335 nan 8.300 nan 0.000 0.481 471 H N -1.561 117.807 119.070 0.497 0.000 2.529 471 H HA 0.065 4.620 4.556 -0.001 0.000 0.277 471 H C 0.709 176.174 175.328 0.228 0.000 0.999 471 H CA 0.728 56.984 56.048 0.347 0.000 1.256 471 H CB -0.405 29.523 29.762 0.277 0.000 1.402 471 H HN 0.216 nan 8.280 nan 0.000 0.566 472 Q N 2.107 122.134 119.800 0.378 0.000 2.314 472 Q HA 0.100 4.440 4.340 -0.001 0.000 0.257 472 Q C -0.668 175.484 176.000 0.253 0.000 0.975 472 Q CA -0.267 55.692 55.803 0.261 0.000 0.933 472 Q CB 0.481 29.365 28.738 0.245 0.000 1.195 472 Q HN 0.329 nan 8.270 nan 0.000 0.426 473 E N 4.185 124.458 120.200 0.121 0.000 2.392 473 E HA 0.246 4.595 4.350 -0.001 0.000 0.264 473 E C -0.340 176.333 176.600 0.122 0.000 1.024 473 E CA 0.293 56.728 56.400 0.059 0.000 0.903 473 E CB 0.537 30.238 29.700 0.003 0.000 0.963 473 E HN 0.684 nan 8.360 nan 0.000 0.432 474 M N 0.489 120.174 119.600 0.142 0.000 2.520 474 M HA 0.436 4.915 4.480 -0.001 0.000 0.283 474 M C -1.744 174.661 176.300 0.175 0.000 1.237 474 M CA -1.228 54.192 55.300 0.199 0.000 0.885 474 M CB 1.206 33.975 32.600 0.282 0.000 1.727 474 M HN 0.105 nan 8.290 nan 0.000 0.468 475 L N 2.558 123.911 121.223 0.217 0.000 2.307 475 L HA 0.541 4.880 4.340 -0.001 0.000 0.284 475 L C -0.656 176.296 176.870 0.137 0.000 1.023 475 L CA -0.084 54.897 54.840 0.236 0.000 0.810 475 L CB 1.273 43.570 42.059 0.397 0.000 1.231 475 L HN 0.825 nan 8.230 nan 0.000 0.423 476 N N 3.326 122.101 118.700 0.124 0.000 2.469 476 N HA 0.432 5.171 4.740 -0.001 0.000 0.253 476 N C -1.315 174.247 175.510 0.087 0.000 0.970 476 N CA -0.258 52.796 53.050 0.006 0.000 0.940 476 N CB 0.440 38.953 38.487 0.043 0.000 1.128 476 N HN 0.364 nan 8.380 nan 0.000 0.503 477 Y N 0.283 120.593 120.300 0.016 0.000 2.602 477 Y HA 0.709 5.258 4.550 -0.001 0.000 0.342 477 Y C -0.612 175.245 175.900 -0.070 0.000 1.029 477 Y CA -1.484 56.598 58.100 -0.029 0.000 1.080 477 Y CB 0.665 39.107 38.460 -0.031 0.000 1.284 477 Y HN -0.017 nan 8.280 nan 0.000 0.485 478 V N 3.804 123.699 119.914 -0.032 0.000 2.350 478 V HA 0.342 4.461 4.120 -0.001 0.000 0.276 478 V C 0.164 176.112 176.094 -0.244 0.000 1.028 478 V CA -0.518 61.538 62.300 -0.407 0.000 0.860 478 V CB 0.366 31.738 31.823 -0.753 0.000 0.990 478 V HN 0.721 nan 8.190 nan 0.000 0.453 479 L N 2.770 123.928 121.223 -0.109 0.000 2.874 479 L HA 0.725 5.064 4.340 -0.001 0.000 0.229 479 L C 0.371 177.246 176.870 0.009 0.000 1.200 479 L CA -0.459 54.393 54.840 0.021 0.000 0.976 479 L CB 1.301 43.423 42.059 0.106 0.000 1.887 479 L HN 0.609 nan 8.230 nan 0.000 0.543 480 S N -0.916 114.822 115.700 0.064 0.000 2.543 480 S HA 0.520 4.989 4.470 -0.001 0.000 0.273 480 S C -2.698 171.962 174.600 0.101 0.000 1.152 480 S CA -0.936 57.308 58.200 0.072 0.000 0.910 480 S CB 1.912 65.125 63.200 0.022 0.000 1.105 480 S HN 0.167 nan 8.310 nan 0.000 0.465 481 P HA 0.546 nan 4.420 nan 0.000 0.274 481 P C -1.289 175.980 177.300 -0.052 0.000 1.246 481 P CA -0.238 62.840 63.100 -0.036 0.000 0.795 481 P CB 0.305 31.922 31.700 -0.137 0.000 1.006 482 F N -0.073 119.677 119.950 -0.333 0.000 2.654 482 F HA 0.432 4.958 4.527 -0.001 0.000 0.308 482 F C -1.478 173.991 175.800 -0.552 0.000 1.108 482 F CA -0.773 56.953 58.000 -0.457 0.000 0.957 482 F CB 1.261 39.978 39.000 -0.472 0.000 1.309 482 F HN 0.162 nan 8.300 nan 0.000 0.446 483 Y N 3.905 123.745 120.300 -0.767 0.000 2.341 483 Y HA 0.452 5.001 4.550 -0.001 0.000 0.340 483 Y C -0.974 174.642 175.900 -0.473 0.000 0.997 483 Y CA -0.546 57.282 58.100 -0.454 0.000 1.149 483 Y CB 0.548 38.741 38.460 -0.444 0.000 1.171 483 Y HN 0.364 nan 8.280 nan 0.000 0.494 484 Y N 1.587 121.943 120.300 0.094 0.000 2.420 484 Y HA 0.386 4.935 4.550 -0.001 0.000 0.334 484 Y C -0.251 175.625 175.900 -0.040 0.000 1.094 484 Y CA -1.363 56.767 58.100 0.048 0.000 1.126 484 Y CB 1.014 39.544 38.460 0.117 0.000 1.217 484 Y HN 0.505 nan 8.280 nan 0.000 0.462 485 Y N 1.540 121.985 120.300 0.242 0.000 2.330 485 Y HA 0.231 4.781 4.550 -0.001 0.000 0.341 485 Y C 0.276 176.248 175.900 0.121 0.000 1.278 485 Y CA -0.273 57.904 58.100 0.128 0.000 1.453 485 Y CB 0.662 39.164 38.460 0.071 0.000 1.342 485 Y HN 0.481 nan 8.280 nan 0.000 0.590 486 Q N 0.366 120.299 119.800 0.221 0.000 2.605 486 Q HA 0.576 4.915 4.340 -0.001 0.000 0.296 486 Q C -1.522 174.466 176.000 -0.020 0.000 1.056 486 Q CA -1.140 54.713 55.803 0.083 0.000 0.778 486 Q CB 2.037 30.801 28.738 0.043 0.000 1.497 486 Q HN 0.527 nan 8.270 nan 0.000 0.443 487 I N 1.955 122.470 120.570 -0.092 0.000 2.471 487 I HA 0.164 4.333 4.170 -0.001 0.000 0.286 487 I C 0.684 176.578 176.117 -0.373 0.000 1.079 487 I CA 0.263 61.449 61.300 -0.190 0.000 1.398 487 I CB 0.808 38.708 38.000 -0.168 0.000 1.403 487 I HN 0.879 nan 8.210 nan 0.000 0.530 488 E N 9.937 129.813 120.200 -0.540 0.000 2.868 488 E HA -0.063 4.286 4.350 -0.001 0.000 0.246 488 E C -1.803 174.062 176.600 -1.225 0.000 0.962 488 E CA -0.927 54.833 56.400 -1.067 0.000 0.955 488 E CB -0.887 27.928 29.700 -1.476 0.000 0.903 488 E HN 0.513 nan 8.360 nan 0.000 0.524 489 P HA -0.280 nan 4.420 nan 0.000 0.219 489 P C 1.440 178.223 177.300 -0.861 0.000 1.161 489 P CA 2.282 64.788 63.100 -0.989 0.000 0.909 489 P CB -0.463 30.265 31.700 -1.620 0.000 0.793 490 W N 0.976 121.768 121.300 -0.846 0.000 2.424 490 W HA -0.002 4.658 4.660 -0.001 0.000 0.264 490 W C 1.736 178.234 176.519 -0.035 0.000 1.229 490 W CA 0.735 57.890 57.345 -0.317 0.000 1.208 490 W CB -1.567 27.843 29.460 -0.084 0.000 1.127 490 W HN -0.043 nan 8.180 nan 0.000 0.588 491 K N 0.331 120.485 120.400 -0.410 0.000 2.167 491 K HA -0.011 4.309 4.320 -0.001 0.000 0.203 491 K C 1.500 178.050 176.600 -0.084 0.000 1.052 491 K CA 1.756 57.940 56.287 -0.173 0.000 0.956 491 K CB -0.339 31.991 32.500 -0.283 0.000 0.735 491 K HN 0.288 nan 8.250 nan 0.000 0.451 492 T N -2.369 112.100 114.554 -0.142 0.000 3.132 492 T HA 0.101 4.450 4.350 -0.001 0.000 0.274 492 T C -0.052 174.621 174.700 -0.044 0.000 1.011 492 T CA -0.497 61.551 62.100 -0.087 0.000 0.899 492 T CB -0.225 68.569 68.868 -0.123 0.000 1.089 492 T HN 0.119 nan 8.240 nan 0.000 0.543 493 H N 1.551 120.559 119.070 -0.104 0.000 2.499 493 H HA 0.621 5.176 4.556 -0.001 0.000 0.352 493 H C -0.759 174.498 175.328 -0.118 0.000 1.237 493 H CA -1.035 54.935 56.048 -0.129 0.000 1.343 493 H CB 0.697 30.372 29.762 -0.145 0.000 1.578 493 H HN 0.225 nan 8.280 nan 0.000 0.577 494 I N 0.636 120.571 120.570 -1.059 0.000 2.503 494 I HA 0.255 4.425 4.170 -0.001 0.000 0.282 494 I C -1.563 174.223 176.117 -0.551 0.000 1.059 494 I CA -1.036 59.949 61.300 -0.525 0.000 1.081 494 I CB 0.190 38.005 38.000 -0.307 0.000 1.210 494 I HN 0.418 nan 8.210 nan 0.000 0.450 495 W N 5.043 126.348 121.300 0.008 0.000 2.237 495 W HA 0.520 5.179 4.660 -0.001 0.000 0.335 495 W C 1.025 177.574 176.519 0.050 0.000 1.230 495 W CA -0.153 57.272 57.345 0.133 0.000 1.253 495 W CB 0.525 30.104 29.460 0.198 0.000 1.129 495 W HN 0.672 nan 8.180 nan 0.000 0.590 496 Q N 0.000 119.968 119.800 0.280 0.000 2.315 496 Q HA 0.000 4.339 4.340 -0.001 0.000 0.214 496 Q CA 0.000 55.895 55.803 0.153 0.000 1.022 496 Q CB 0.000 28.820 28.738 0.137 0.000 1.108 496 Q HN 0.000 nan 8.270 nan 0.000 0.481