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 1m8h_1_A DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSXXXXXX XXCLGSIMNP KSLTRGPRDK DATA SEQUENCE PTPLEELLPH AIEFINQYYG SFKEAKIEEH LARLEAVTKE IETTGTYQLT DATA SEQUENCE LDELIFATKM AWRNAPRCIG RIQWSNLQVF DARNCSTAQE MFQHICRHIL DATA SEQUENCE YATNNGNIRS AITVFPQRSD GKHDFRLWNS QLIRYAGYQM PDGTIRGDAA DATA SEQUENCE TLEFTQLCID LGWKPRYGRF DVLPLVLQAD GQDPEVFEIP PDLVLEVTME DATA SEQUENCE HPKYEWFQEL GLKWYALPAV ANMLLEVGGL EFPACPFNGW YMGTEIGVRD DATA SEQUENCE FCDTQRYNIL EEVGRRMGLE THTLASLWKD RAVTEINVAV LHSFQKQNVT DATA SEQUENCE IMDHHTASES FMKHMQNEYR ARGGCPADWI WLVPPVSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ IEPWKTHIWQ N VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 77 Q HA 0.000 nan 4.340 nan 0.000 0.214 77 Q C 0.000 176.103 176.000 0.172 0.000 1.003 77 Q CA 0.000 55.784 55.803 -0.032 0.000 1.022 77 Q CB 0.000 28.601 28.738 -0.229 0.000 1.108 78 Y N -3.065 117.296 120.300 0.103 0.000 2.953 78 Y HA 0.798 5.348 4.550 0.000 0.000 0.321 78 Y C -0.949 174.981 175.900 0.051 0.000 1.514 78 Y CA -1.579 56.574 58.100 0.088 0.000 1.091 78 Y CB 0.816 39.295 38.460 0.032 0.000 1.700 78 Y HN 0.345 nan 8.280 nan 0.000 0.436 79 V N 2.222 122.407 119.914 0.453 0.000 2.525 79 V HA 0.501 4.621 4.120 0.000 0.000 0.299 79 V C -0.306 175.984 176.094 0.327 0.000 1.034 79 V CA -1.001 61.439 62.300 0.233 0.000 0.863 79 V CB 1.490 33.257 31.823 -0.094 0.000 0.999 79 V HN 0.689 nan 8.190 nan 0.000 0.423 80 R N 4.177 124.876 120.500 0.331 0.000 2.491 80 R HA 0.457 4.797 4.340 0.000 0.000 0.283 80 R C -0.976 175.387 176.300 0.105 0.000 1.072 80 R CA -0.205 56.056 56.100 0.267 0.000 1.048 80 R CB 0.698 31.140 30.300 0.237 0.000 0.983 80 R HN 0.427 nan 8.270 nan 0.000 0.450 81 I N 3.167 123.755 120.570 0.030 0.000 2.478 81 I HA 0.222 4.392 4.170 0.000 0.000 0.287 81 I C -0.151 175.893 176.117 -0.122 0.000 1.042 81 I CA -0.625 60.664 61.300 -0.018 0.000 1.067 81 I CB 1.729 39.740 38.000 0.019 0.000 1.233 81 I HN 0.494 nan 8.210 nan 0.000 0.431 82 K N 4.798 125.096 120.400 -0.170 0.000 2.138 82 K HA 0.331 4.651 4.320 0.000 0.000 0.263 82 K C -0.065 176.347 176.600 -0.312 0.000 0.965 82 K CA -0.477 55.601 56.287 -0.348 0.000 0.868 82 K CB 1.175 33.275 32.500 -0.667 0.000 1.083 82 K HN 0.448 nan 8.250 nan 0.000 0.443 83 N N 4.449 122.984 118.700 -0.275 0.000 2.801 83 N HA 0.070 4.810 4.740 0.000 0.000 0.235 83 N C -0.383 175.082 175.510 -0.074 0.000 1.069 83 N CA -0.493 52.501 53.050 -0.093 0.000 0.946 83 N CB 0.030 38.476 38.487 -0.068 0.000 1.212 83 N HN 0.646 nan 8.380 nan 0.000 0.509 84 W N 1.942 123.291 121.300 0.082 0.000 2.547 84 W HA -0.024 4.636 4.660 0.000 0.000 0.262 84 W C 1.823 178.374 176.519 0.054 0.000 1.213 84 W CA 0.551 57.949 57.345 0.087 0.000 1.191 84 W CB 0.056 29.598 29.460 0.137 0.000 1.142 84 W HN 0.587 nan 8.180 nan 0.000 0.611 85 G N -1.189 107.719 108.800 0.179 0.000 2.763 85 G HA2 -0.112 3.848 3.960 0.000 0.000 0.205 85 G HA3 -0.112 3.848 3.960 0.000 0.000 0.205 85 G C 1.436 176.341 174.900 0.008 0.000 1.137 85 G CA 0.629 45.750 45.100 0.035 0.000 0.839 85 G HN 0.226 nan 8.290 nan 0.000 0.596 86 S N -0.328 115.371 115.700 -0.002 0.000 2.548 86 S HA 0.355 4.825 4.470 0.000 0.000 0.215 86 S C 2.011 176.576 174.600 -0.058 0.000 0.976 86 S CA 1.080 59.262 58.200 -0.030 0.000 0.908 86 S CB 0.160 63.337 63.200 -0.038 0.000 0.781 86 S HN 1.563 nan 8.310 nan 0.000 0.519 87 G N 1.345 110.096 108.800 -0.081 0.000 2.257 87 G HA2 -0.374 3.586 3.960 0.000 0.000 0.267 87 G HA3 -0.374 3.586 3.960 0.000 0.000 0.267 87 G C -0.046 174.743 174.900 -0.184 0.000 0.984 87 G CA 0.541 45.552 45.100 -0.148 0.000 0.626 87 G HN 0.746 nan 8.290 nan 0.000 0.540 88 E N 0.649 120.759 120.200 -0.150 0.000 2.437 88 E HA 0.298 4.648 4.350 0.000 0.000 0.263 88 E C 0.381 176.855 176.600 -0.210 0.000 1.030 88 E CA -0.181 56.122 56.400 -0.162 0.000 0.934 88 E CB 0.146 29.761 29.700 -0.142 0.000 0.943 88 E HN 0.255 nan 8.360 nan 0.000 0.444 89 I N 4.346 124.787 120.570 -0.216 0.000 2.648 89 I HA 0.396 4.566 4.170 0.000 0.000 0.304 89 I C 0.037 175.957 176.117 -0.328 0.000 1.009 89 I CA -0.675 60.475 61.300 -0.249 0.000 1.114 89 I CB 1.108 38.982 38.000 -0.210 0.000 1.293 89 I HN 0.542 nan 8.210 nan 0.000 0.449 90 L N 4.003 125.029 121.223 -0.329 0.000 2.371 90 L HA 0.469 4.809 4.340 0.000 0.000 0.262 90 L C -0.952 175.766 176.870 -0.253 0.000 1.006 90 L CA -0.825 53.820 54.840 -0.325 0.000 0.818 90 L CB 2.461 44.328 42.059 -0.320 0.000 1.354 90 L HN 0.450 nan 8.230 nan 0.000 0.415 91 H N 1.118 120.169 119.070 -0.031 0.000 2.685 91 H HA 0.207 4.763 4.556 0.000 0.000 0.307 91 H C -1.127 174.129 175.328 -0.120 0.000 1.017 91 H CA -0.653 55.234 56.048 -0.269 0.000 1.237 91 H CB 1.668 30.903 29.762 -0.879 0.000 1.409 91 H HN 0.454 nan 8.280 nan 0.000 0.488 92 D N 2.849 123.320 120.400 0.119 0.000 2.365 92 D HA 0.015 4.655 4.640 0.000 0.000 0.237 92 D C 0.889 177.225 176.300 0.061 0.000 1.190 92 D CA 0.005 54.001 54.000 -0.007 0.000 0.867 92 D CB 0.946 41.771 40.800 0.042 0.000 1.050 92 D HN 0.624 nan 8.370 nan 0.000 0.491 93 T N 1.037 115.557 114.554 -0.056 0.000 3.022 93 T HA -0.047 4.303 4.350 0.000 0.000 0.250 93 T C 1.707 176.299 174.700 -0.180 0.000 1.060 93 T CA -0.230 61.831 62.100 -0.064 0.000 1.013 93 T CB 0.146 69.010 68.868 -0.006 0.000 0.982 93 T HN 0.249 nan 8.240 nan 0.000 0.508 94 L N 2.763 123.885 121.223 -0.169 0.000 2.313 94 L HA 0.073 4.413 4.340 0.000 0.000 0.214 94 L C 2.452 179.141 176.870 -0.301 0.000 1.119 94 L CA 1.470 56.220 54.840 -0.149 0.000 0.809 94 L CB -0.892 41.130 42.059 -0.061 0.000 0.933 94 L HN 0.567 nan 8.230 nan 0.000 0.449 95 H N -2.345 116.323 119.070 -0.670 0.000 2.518 95 H HA -0.172 4.384 4.556 0.000 0.000 0.289 95 H C 1.536 176.566 175.328 -0.497 0.000 1.051 95 H CA 1.765 57.143 56.048 -1.118 0.000 1.280 95 H CB -0.981 28.144 29.762 -1.062 0.000 1.380 95 H HN 0.581 nan 8.280 nan 0.000 0.566 96 H N 1.212 119.809 119.070 -0.788 0.000 2.491 96 H HA 0.034 4.590 4.556 0.000 0.000 0.290 96 H C 1.214 176.399 175.328 -0.239 0.000 1.050 96 H CA 0.731 56.472 56.048 -0.510 0.000 1.309 96 H CB 0.353 29.870 29.762 -0.407 0.000 1.392 96 H HN 0.374 nan 8.280 nan 0.000 0.554 97 K N 0.767 121.129 120.400 -0.064 0.000 2.469 97 K HA 0.240 4.560 4.320 0.000 0.000 0.201 97 K C 0.507 177.129 176.600 0.035 0.000 1.028 97 K CA -0.270 56.021 56.287 0.007 0.000 1.170 97 K CB 0.825 33.346 32.500 0.034 0.000 0.874 97 K HN 0.151 nan 8.250 nan 0.000 0.507 98 A N 0.725 123.552 122.820 0.011 0.000 2.260 98 A HA 0.249 4.569 4.320 0.000 0.000 0.278 98 A C 0.984 178.593 177.584 0.041 0.000 1.269 98 A CA -0.088 51.986 52.037 0.062 0.000 0.824 98 A CB 0.225 19.263 19.000 0.063 0.000 1.238 98 A HN 0.139 nan 8.150 nan 0.000 0.507 99 T N -0.456 114.119 114.554 0.034 0.000 3.274 99 T HA 0.470 4.820 4.350 0.000 0.000 0.186 99 T C 0.639 175.356 174.700 0.029 0.000 0.799 99 T CA 0.618 62.732 62.100 0.024 0.000 1.611 99 T CB -0.450 68.420 68.868 0.003 0.000 2.155 99 T HN 1.216 nan 8.240 nan 0.000 0.427 110 L N 6.474 127.715 121.223 0.029 0.000 2.505 110 L HA 0.297 4.637 4.340 0.000 0.000 0.275 110 L C 1.494 178.392 176.870 0.047 0.000 1.264 110 L CA 1.519 56.380 54.840 0.035 0.000 1.148 110 L CB -0.356 41.722 42.059 0.032 0.000 1.377 110 L HN 0.958 nan 8.230 nan 0.000 0.442 111 G N 0.901 109.730 108.800 0.049 0.000 2.624 111 G HA2 -0.111 3.849 3.960 0.000 0.000 0.216 111 G HA3 -0.111 3.849 3.960 0.000 0.000 0.216 111 G C 0.937 175.894 174.900 0.094 0.000 1.274 111 G CA 0.577 45.715 45.100 0.063 0.000 0.856 111 G HN 0.556 nan 8.290 nan 0.000 0.555 112 S N 0.801 116.555 115.700 0.091 0.000 2.699 112 S HA 0.413 4.883 4.470 0.000 0.000 0.251 112 S C 0.244 174.912 174.600 0.113 0.000 1.179 112 S CA -0.587 57.684 58.200 0.118 0.000 1.200 112 S CB -0.286 62.974 63.200 0.099 0.000 0.848 112 S HN 0.088 nan 8.310 nan 0.000 0.472 113 I N 2.125 122.754 120.570 0.098 0.000 2.371 113 I HA 0.230 4.400 4.170 0.000 0.000 0.290 113 I C 1.526 177.698 176.117 0.092 0.000 1.028 113 I CA -0.289 61.055 61.300 0.073 0.000 1.345 113 I CB 0.671 38.694 38.000 0.038 0.000 1.407 113 I HN 0.360 nan 8.210 nan 0.000 0.501 114 M N 4.572 124.227 119.600 0.090 0.000 2.081 114 M HA -0.081 4.399 4.480 0.000 0.000 0.261 114 M C 0.338 176.576 176.300 -0.103 0.000 1.075 114 M CA 1.548 56.916 55.300 0.113 0.000 1.133 114 M CB -0.121 32.563 32.600 0.141 0.000 1.330 114 M HN 0.505 nan 8.290 nan 0.000 0.414 115 N N 1.515 120.112 118.700 -0.172 0.000 3.112 115 N HA 0.300 5.040 4.740 0.000 0.000 0.270 115 N C -2.454 172.945 175.510 -0.184 0.000 1.385 115 N CA -0.811 52.029 53.050 -0.350 0.000 0.986 115 N CB 0.232 38.529 38.487 -0.317 0.000 1.261 115 N HN 0.272 nan 8.380 nan 0.000 0.495 116 P HA 0.167 nan 4.420 nan 0.000 0.275 116 P C 0.639 177.919 177.300 -0.034 0.000 1.228 116 P CA -0.296 62.773 63.100 -0.051 0.000 0.786 116 P CB 1.988 33.677 31.700 -0.019 0.000 0.927 117 K N 0.986 121.379 120.400 -0.012 0.000 2.281 117 K HA -0.118 4.202 4.320 0.000 0.000 0.203 117 K C 2.013 178.636 176.600 0.038 0.000 1.046 117 K CA 1.799 58.090 56.287 0.006 0.000 0.938 117 K CB -0.191 32.311 32.500 0.002 0.000 0.737 117 K HN 0.555 nan 8.250 nan 0.000 0.458 118 S N 0.295 116.018 115.700 0.038 0.000 2.442 118 S HA -0.092 4.378 4.470 0.000 0.000 0.236 118 S C 1.527 176.195 174.600 0.114 0.000 1.007 118 S CA 0.791 59.026 58.200 0.057 0.000 0.965 118 S CB -0.125 63.096 63.200 0.035 0.000 0.773 118 S HN 0.250 nan 8.310 nan 0.000 0.504 119 L N 1.173 122.477 121.223 0.136 0.000 2.667 119 L HA 0.280 4.620 4.340 0.000 0.000 0.232 119 L C -0.118 177.026 176.870 0.457 0.000 1.138 119 L CA -0.020 54.978 54.840 0.263 0.000 0.921 119 L CB 0.172 42.354 42.059 0.205 0.000 1.180 119 L HN 0.218 nan 8.230 nan 0.000 0.487 120 T N -0.279 114.464 114.554 0.315 0.000 2.855 120 T HA 0.454 4.804 4.350 0.000 0.000 0.281 120 T C -0.422 174.353 174.700 0.126 0.000 1.007 120 T CA -0.474 61.783 62.100 0.262 0.000 1.009 120 T CB 2.391 71.324 68.868 0.107 0.000 0.983 120 T HN -0.074 nan 8.240 nan 0.000 0.455 121 R N 1.625 122.161 120.500 0.059 0.000 2.407 121 R HA 0.571 4.911 4.340 0.000 0.000 0.298 121 R C 0.407 176.682 176.300 -0.041 0.000 1.166 121 R CA -0.350 55.667 56.100 -0.138 0.000 1.006 121 R CB 0.164 30.238 30.300 -0.376 0.000 1.145 121 R HN 0.837 nan 8.270 nan 0.000 0.538 122 G N 2.931 111.707 108.800 -0.039 0.000 2.516 122 G HA2 0.340 4.300 3.960 0.000 0.000 0.276 122 G HA3 0.340 4.300 3.960 0.000 0.000 0.276 122 G C -1.964 172.922 174.900 -0.024 0.000 1.390 122 G CA -0.926 44.158 45.100 -0.025 0.000 1.050 122 G HN 0.569 nan 8.290 nan 0.000 0.519 123 P HA 0.277 nan 4.420 nan 0.000 0.272 123 P C -0.806 176.485 177.300 -0.014 0.000 1.240 123 P CA -0.084 63.011 63.100 -0.008 0.000 0.791 123 P CB 0.938 32.636 31.700 -0.003 0.000 0.978 124 R N 0.238 120.731 120.500 -0.012 0.000 2.594 124 R HA 0.349 4.689 4.340 0.000 0.000 0.265 124 R C -1.288 174.999 176.300 -0.023 0.000 1.070 124 R CA -0.721 55.368 56.100 -0.018 0.000 0.909 124 R CB 0.898 31.186 30.300 -0.020 0.000 1.243 124 R HN 0.314 nan 8.270 nan 0.000 0.455 125 D N 1.834 122.218 120.400 -0.026 0.000 2.670 125 D HA 0.303 4.943 4.640 0.000 0.000 0.255 125 D C -0.704 175.570 176.300 -0.042 0.000 1.286 125 D CA -0.432 53.544 54.000 -0.039 0.000 0.830 125 D CB 0.471 41.251 40.800 -0.033 0.000 1.065 125 D HN 0.473 nan 8.370 nan 0.000 0.486 126 K N 0.176 120.554 120.400 -0.036 0.000 2.546 126 K HA 0.404 4.724 4.320 0.000 0.000 0.264 126 K C -2.924 173.662 176.600 -0.024 0.000 0.937 126 K CA -1.763 54.507 56.287 -0.029 0.000 0.833 126 K CB 2.578 35.067 32.500 -0.019 0.000 1.378 126 K HN -0.167 nan 8.250 nan 0.000 0.432 127 P HA -0.014 nan 4.420 nan 0.000 0.273 127 P C -0.647 176.653 177.300 -0.001 0.000 1.258 127 P CA -0.092 63.003 63.100 -0.009 0.000 0.802 127 P CB 0.339 32.038 31.700 -0.000 0.000 1.040 128 T N 2.057 116.617 114.554 0.010 0.000 2.863 128 T HA 0.220 4.570 4.350 0.000 0.000 0.299 128 T C -2.218 172.494 174.700 0.021 0.000 0.973 128 T CA -1.014 61.098 62.100 0.020 0.000 0.994 128 T CB -0.810 68.080 68.868 0.037 0.000 0.961 128 T HN 0.285 nan 8.240 nan 0.000 0.552 129 P HA -0.084 nan 4.420 nan 0.000 0.255 129 P C 0.851 178.150 177.300 -0.002 0.000 1.132 129 P CA -0.012 63.089 63.100 0.003 0.000 0.766 129 P CB 0.213 31.912 31.700 -0.001 0.000 0.715 130 L N 4.172 125.392 121.223 -0.003 0.000 2.123 130 L HA -0.276 4.064 4.340 0.000 0.000 0.217 130 L C 2.434 179.285 176.870 -0.032 0.000 1.081 130 L CA 2.080 56.913 54.840 -0.011 0.000 0.772 130 L CB -0.996 41.057 42.059 -0.010 0.000 0.890 130 L HN 0.517 nan 8.230 nan 0.000 0.437 131 E N -0.356 119.822 120.200 -0.036 0.000 2.150 131 E HA -0.217 4.133 4.350 0.000 0.000 0.193 131 E C 1.741 178.285 176.600 -0.093 0.000 0.985 131 E CA 1.394 57.761 56.400 -0.055 0.000 0.814 131 E CB -0.361 29.313 29.700 -0.043 0.000 0.752 131 E HN 0.642 nan 8.360 nan 0.000 0.466 132 E N 0.640 120.790 120.200 -0.084 0.000 2.033 132 E HA -0.080 4.270 4.350 0.000 0.000 0.189 132 E C 2.229 178.715 176.600 -0.190 0.000 0.979 132 E CA 0.695 57.009 56.400 -0.144 0.000 0.802 132 E CB -0.208 29.477 29.700 -0.026 0.000 0.763 132 E HN 0.109 nan 8.360 nan 0.000 0.449 133 L N 1.601 122.802 121.223 -0.037 0.000 2.013 133 L HA -0.200 4.140 4.340 0.000 0.000 0.212 133 L C 2.276 179.135 176.870 -0.018 0.000 1.073 133 L CA 1.461 56.321 54.840 0.033 0.000 0.753 133 L CB -0.671 41.426 42.059 0.064 0.000 0.890 133 L HN 0.141 nan 8.230 nan 0.000 0.432 134 L N 0.027 121.209 121.223 -0.068 0.000 2.013 134 L HA -0.117 4.223 4.340 0.000 0.000 0.212 134 L C -0.452 176.373 176.870 -0.075 0.000 1.073 134 L CA 2.186 56.975 54.840 -0.086 0.000 0.753 134 L CB -1.846 40.167 42.059 -0.078 0.000 0.890 134 L HN 0.207 nan 8.230 nan 0.000 0.432 135 P HA -0.121 nan 4.420 nan 0.000 0.215 135 P C 1.265 178.581 177.300 0.027 0.000 1.157 135 P CA 1.515 64.561 63.100 -0.089 0.000 0.863 135 P CB -0.193 31.392 31.700 -0.191 0.000 0.787 136 H N -0.406 118.709 119.070 0.076 0.000 2.353 136 H HA -0.003 4.553 4.556 0.000 0.000 0.300 136 H C 1.973 177.414 175.328 0.188 0.000 1.090 136 H CA 1.436 57.559 56.048 0.126 0.000 1.327 136 H CB -1.202 28.630 29.762 0.116 0.000 1.383 136 H HN 0.038 nan 8.280 nan 0.000 0.508 137 A N 1.620 124.589 122.820 0.248 0.000 1.883 137 A HA -0.151 4.169 4.320 0.000 0.000 0.217 137 A C 2.428 180.115 177.584 0.171 0.000 1.186 137 A CA 1.687 53.831 52.037 0.179 0.000 0.624 137 A CB -0.540 18.327 19.000 -0.221 0.000 0.822 137 A HN 0.219 nan 8.150 nan 0.000 0.444 138 I N 0.085 120.710 120.570 0.092 0.000 2.179 138 I HA -0.222 3.948 4.170 0.000 0.000 0.242 138 I C 2.321 178.533 176.117 0.158 0.000 1.088 138 I CA 1.551 62.908 61.300 0.094 0.000 1.357 138 I CB -1.956 36.075 38.000 0.053 0.000 1.051 138 I HN 0.464 nan 8.210 nan 0.000 0.409 139 E N 0.554 120.870 120.200 0.193 0.000 2.049 139 E HA -0.283 4.068 4.350 0.000 0.000 0.198 139 E C 2.188 178.947 176.600 0.266 0.000 1.007 139 E CA 1.693 58.222 56.400 0.217 0.000 0.809 139 E CB -0.419 29.427 29.700 0.243 0.000 0.749 139 E HN 0.378 nan 8.360 nan 0.000 0.450 140 F N 1.814 121.878 119.950 0.189 0.000 2.126 140 F HA -0.214 4.313 4.527 0.000 0.000 0.299 140 F C 2.008 177.926 175.800 0.196 0.000 1.096 140 F CA 1.131 59.259 58.000 0.213 0.000 1.255 140 F CB -0.180 38.971 39.000 0.252 0.000 0.997 140 F HN -0.049 nan 8.300 nan 0.000 0.479 141 I N 0.671 121.209 120.570 -0.052 0.000 2.361 141 I HA -0.267 3.903 4.170 0.000 0.000 0.251 141 I C 1.878 177.990 176.117 -0.008 0.000 1.133 141 I CA 1.057 62.289 61.300 -0.113 0.000 1.413 141 I CB -1.585 36.463 38.000 0.081 0.000 1.073 141 I HN 0.254 nan 8.210 nan 0.000 0.424 142 N N 0.544 119.284 118.700 0.066 0.000 2.354 142 N HA -0.155 4.585 4.740 0.000 0.000 0.179 142 N C 1.823 177.323 175.510 -0.017 0.000 1.021 142 N CA 0.595 53.687 53.050 0.070 0.000 0.887 142 N CB -0.026 38.566 38.487 0.176 0.000 0.974 142 N HN 0.534 nan 8.380 nan 0.000 0.437 143 Q N -0.062 119.740 119.800 0.002 0.000 2.020 143 Q HA -0.162 4.178 4.340 0.000 0.000 0.198 143 Q C 1.978 177.849 176.000 -0.216 0.000 0.974 143 Q CA 1.050 56.868 55.803 0.025 0.000 0.829 143 Q CB -0.189 28.689 28.738 0.233 0.000 0.894 143 Q HN 0.331 nan 8.270 nan 0.000 0.433 144 Y N 0.045 119.970 120.300 -0.624 0.000 2.053 144 Y HA -0.333 4.217 4.550 0.000 0.000 0.277 144 Y C 1.741 177.159 175.900 -0.804 0.000 1.159 144 Y CA 2.224 59.664 58.100 -1.099 0.000 1.125 144 Y CB -0.573 37.200 38.460 -1.145 0.000 0.969 144 Y HN 0.231 nan 8.280 nan 0.000 0.492 145 Y N -0.320 119.795 120.300 -0.309 0.000 2.421 145 Y HA 0.011 4.561 4.550 0.000 0.000 0.292 145 Y C 2.475 178.185 175.900 -0.318 0.000 1.136 145 Y CA 1.172 59.055 58.100 -0.362 0.000 1.255 145 Y CB -0.692 37.371 38.460 -0.662 0.000 0.991 145 Y HN 0.243 nan 8.280 nan 0.000 0.552 146 G N -1.556 107.147 108.800 -0.162 0.000 3.181 146 G HA2 -0.033 3.927 3.960 0.000 0.000 0.219 146 G HA3 -0.033 3.927 3.960 0.000 0.000 0.219 146 G C 1.450 176.315 174.900 -0.060 0.000 1.182 146 G CA 0.696 45.761 45.100 -0.058 0.000 0.791 146 G HN 0.433 nan 8.290 nan 0.000 0.537 147 S N -0.630 114.975 115.700 -0.160 0.000 2.475 147 S HA 0.290 4.760 4.470 0.000 0.000 0.224 147 S C 0.660 175.216 174.600 -0.072 0.000 1.042 147 S CA -0.519 57.620 58.200 -0.101 0.000 0.935 147 S CB -0.114 62.997 63.200 -0.149 0.000 0.801 147 S HN 0.046 nan 8.310 nan 0.000 0.509 148 F N 3.100 122.940 119.950 -0.183 0.000 2.450 148 F HA 0.421 4.948 4.527 0.000 0.000 0.339 148 F C 1.547 177.318 175.800 -0.048 0.000 1.146 148 F CA -0.631 57.303 58.000 -0.111 0.000 1.267 148 F CB 0.958 39.877 39.000 -0.136 0.000 1.178 148 F HN 0.032 nan 8.300 nan 0.000 0.585 149 K N 1.642 122.098 120.400 0.093 0.000 1.984 149 K HA -0.093 4.227 4.320 0.000 0.000 0.209 149 K C 0.153 176.897 176.600 0.240 0.000 1.046 149 K CA 1.379 57.742 56.287 0.126 0.000 0.934 149 K CB -0.149 32.369 32.500 0.030 0.000 0.717 149 K HN 0.613 nan 8.250 nan 0.000 0.438 150 E N 1.385 121.822 120.200 0.395 0.000 1.814 150 E HA 0.129 4.479 4.350 0.000 0.000 0.264 150 E C -1.217 175.459 176.600 0.128 0.000 1.179 150 E CA -0.538 55.976 56.400 0.189 0.000 0.972 150 E CB 0.783 30.553 29.700 0.117 0.000 1.077 150 E HN 0.341 nan 8.360 nan 0.000 0.417 151 A N 4.865 127.758 122.820 0.123 0.000 2.515 151 A HA -0.019 4.301 4.320 0.000 0.000 0.263 151 A C 0.462 178.088 177.584 0.069 0.000 1.096 151 A CA -0.152 51.949 52.037 0.106 0.000 0.769 151 A CB 0.071 19.134 19.000 0.104 0.000 1.040 151 A HN 0.365 nan 8.150 nan 0.000 0.505 152 K N 5.172 125.615 120.400 0.072 0.000 2.206 152 K HA 0.236 4.556 4.320 0.000 0.000 0.268 152 K C 0.404 177.034 176.600 0.050 0.000 1.111 152 K CA -0.181 56.133 56.287 0.045 0.000 0.955 152 K CB 0.027 32.549 32.500 0.036 0.000 1.406 152 K HN 0.633 nan 8.250 nan 0.000 0.427 153 I N 0.214 120.803 120.570 0.033 0.000 2.163 153 I HA -0.296 3.874 4.170 0.000 0.000 0.243 153 I C 2.391 178.476 176.117 -0.053 0.000 1.085 153 I CA 1.105 62.412 61.300 0.012 0.000 1.347 153 I CB -0.283 37.713 38.000 -0.006 0.000 1.044 153 I HN 0.548 nan 8.210 nan 0.000 0.408 154 E N 1.645 121.814 120.200 -0.052 0.000 2.013 154 E HA -0.266 4.085 4.350 0.000 0.000 0.202 154 E C 2.074 178.608 176.600 -0.109 0.000 1.018 154 E CA 1.881 58.239 56.400 -0.072 0.000 0.834 154 E CB -0.251 29.421 29.700 -0.046 0.000 0.770 154 E HN 0.507 nan 8.360 nan 0.000 0.459 155 E N -0.577 119.565 120.200 -0.098 0.000 2.114 155 E HA -0.261 4.089 4.350 0.000 0.000 0.199 155 E C 2.165 178.508 176.600 -0.427 0.000 1.008 155 E CA 1.443 57.757 56.400 -0.143 0.000 0.810 155 E CB -0.400 29.299 29.700 -0.001 0.000 0.739 155 E HN 0.504 nan 8.360 nan 0.000 0.456 156 H N 0.394 119.029 119.070 -0.725 0.000 2.253 156 H HA -0.143 4.413 4.556 0.000 0.000 0.296 156 H C 2.231 177.252 175.328 -0.511 0.000 1.067 156 H CA 1.059 56.492 56.048 -1.026 0.000 1.245 156 H CB 0.097 29.533 29.762 -0.544 0.000 1.364 156 H HN 0.046 nan 8.280 nan 0.000 0.494 157 L N 0.890 121.905 121.223 -0.347 0.000 2.043 157 L HA -0.212 4.128 4.340 0.000 0.000 0.212 157 L C 3.002 179.764 176.870 -0.180 0.000 1.075 157 L CA 1.640 56.297 54.840 -0.305 0.000 0.752 157 L CB -1.809 40.107 42.059 -0.238 0.000 0.891 157 L HN 0.504 nan 8.230 nan 0.000 0.432 158 A N -0.058 122.667 122.820 -0.157 0.000 1.865 158 A HA -0.283 4.037 4.320 0.000 0.000 0.217 158 A C 2.446 179.983 177.584 -0.077 0.000 1.191 158 A CA 2.060 54.037 52.037 -0.101 0.000 0.623 158 A CB -0.537 18.413 19.000 -0.083 0.000 0.826 158 A HN 0.327 nan 8.150 nan 0.000 0.444 159 R N -0.003 120.436 120.500 -0.101 0.000 2.080 159 R HA -0.078 4.262 4.340 0.000 0.000 0.236 159 R C 1.970 178.274 176.300 0.006 0.000 1.137 159 R CA 1.934 58.026 56.100 -0.014 0.000 0.943 159 R CB -1.075 29.256 30.300 0.052 0.000 0.846 159 R HN 0.505 nan 8.270 nan 0.000 0.431 160 L N 0.597 121.816 121.223 -0.007 0.000 2.034 160 L HA -0.278 4.062 4.340 0.000 0.000 0.217 160 L C 2.726 179.576 176.870 -0.033 0.000 1.077 160 L CA 2.030 56.867 54.840 -0.003 0.000 0.769 160 L CB -0.651 41.388 42.059 -0.033 0.000 0.890 160 L HN 0.434 nan 8.230 nan 0.000 0.435 161 E N 0.245 120.418 120.200 -0.045 0.000 2.015 161 E HA -0.237 4.113 4.350 0.000 0.000 0.191 161 E C 2.202 178.787 176.600 -0.025 0.000 0.991 161 E CA 1.454 57.830 56.400 -0.041 0.000 0.802 161 E CB -0.065 29.608 29.700 -0.046 0.000 0.759 161 E HN 0.428 nan 8.360 nan 0.000 0.447 162 A N 0.874 123.687 122.820 -0.012 0.000 1.948 162 A HA -0.181 4.139 4.320 0.000 0.000 0.220 162 A C 2.548 180.142 177.584 0.017 0.000 1.177 162 A CA 1.869 53.911 52.037 0.008 0.000 0.636 162 A CB -0.763 18.250 19.000 0.022 0.000 0.815 162 A HN 0.213 nan 8.150 nan 0.000 0.449 163 V N 0.334 120.252 119.914 0.006 0.000 2.229 163 V HA -0.252 3.868 4.120 0.000 0.000 0.243 163 V C 3.036 179.075 176.094 -0.091 0.000 1.042 163 V CA 2.543 64.826 62.300 -0.030 0.000 1.000 163 V CB -1.626 30.153 31.823 -0.072 0.000 0.637 163 V HN 0.828 nan 8.190 nan 0.000 0.446 164 T N -1.251 113.249 114.554 -0.090 0.000 2.737 164 T HA -0.333 4.017 4.350 0.000 0.000 0.269 164 T C 1.830 176.501 174.700 -0.049 0.000 1.040 164 T CA 2.036 64.086 62.100 -0.084 0.000 1.142 164 T CB -0.352 68.477 68.868 -0.064 0.000 0.861 164 T HN 0.358 nan 8.240 nan 0.000 0.456 165 K N 1.129 121.512 120.400 -0.028 0.000 2.026 165 K HA -0.071 4.249 4.320 0.000 0.000 0.208 165 K C 2.494 179.096 176.600 0.004 0.000 1.048 165 K CA 1.627 57.908 56.287 -0.010 0.000 0.929 165 K CB -0.254 32.243 32.500 -0.004 0.000 0.713 165 K HN 0.602 nan 8.250 nan 0.000 0.439 166 E N 0.231 120.442 120.200 0.018 0.000 2.110 166 E HA -0.190 4.160 4.350 0.000 0.000 0.193 166 E C 1.774 178.403 176.600 0.048 0.000 0.988 166 E CA 1.296 57.726 56.400 0.050 0.000 0.804 166 E CB -0.017 29.742 29.700 0.099 0.000 0.745 166 E HN 0.343 nan 8.360 nan 0.000 0.458 167 I N 0.699 121.276 120.570 0.011 0.000 2.286 167 I HA -0.209 3.961 4.170 0.000 0.000 0.245 167 I C 2.163 178.283 176.117 0.005 0.000 1.104 167 I CA 1.091 62.393 61.300 0.003 0.000 1.397 167 I CB -0.308 37.651 38.000 -0.068 0.000 1.072 167 I HN 0.140 nan 8.210 nan 0.000 0.417 168 E N 0.462 120.659 120.200 -0.005 0.000 2.150 168 E HA -0.188 4.162 4.350 0.000 0.000 0.193 168 E C 2.190 178.795 176.600 0.008 0.000 0.985 168 E CA 1.972 58.370 56.400 -0.002 0.000 0.814 168 E CB -0.043 29.652 29.700 -0.008 0.000 0.752 168 E HN 0.621 nan 8.360 nan 0.000 0.466 169 T N -1.717 112.846 114.554 0.016 0.000 2.901 169 T HA -0.066 4.284 4.350 0.000 0.000 0.252 169 T C 2.215 176.932 174.700 0.028 0.000 1.035 169 T CA 1.396 63.508 62.100 0.021 0.000 1.142 169 T CB -0.285 68.597 68.868 0.023 0.000 0.869 169 T HN 0.179 nan 8.240 nan 0.000 0.442 170 T N -2.375 112.203 114.554 0.039 0.000 3.023 170 T HA 0.586 4.936 4.350 0.000 0.000 0.249 170 T C 1.744 176.473 174.700 0.048 0.000 1.050 170 T CA 0.867 62.994 62.100 0.046 0.000 1.088 170 T CB 0.027 68.931 68.868 0.060 0.000 0.946 170 T HN 0.939 nan 8.240 nan 0.000 0.480 171 G N 1.006 109.837 108.800 0.051 0.000 2.979 171 G HA2 -0.159 3.801 3.960 0.000 0.000 0.238 171 G HA3 -0.159 3.801 3.960 0.000 0.000 0.238 171 G C 0.276 175.227 174.900 0.084 0.000 1.805 171 G CA 0.096 45.226 45.100 0.050 0.000 1.389 171 G HN 0.858 nan 8.290 nan 0.000 0.517 172 T N 1.366 115.980 114.554 0.099 0.000 2.813 172 T HA 0.564 4.914 4.350 0.000 0.000 0.297 172 T C 0.181 175.022 174.700 0.235 0.000 1.036 172 T CA 0.813 63.008 62.100 0.159 0.000 1.044 172 T CB 0.480 69.396 68.868 0.080 0.000 0.993 172 T HN 1.515 nan 8.240 nan 0.000 0.535 173 Y N 0.784 121.102 120.300 0.029 0.000 2.630 173 Y HA 0.734 5.284 4.550 0.000 0.000 0.337 173 Y C -0.715 175.216 175.900 0.052 0.000 1.051 173 Y CA -1.611 56.516 58.100 0.045 0.000 1.121 173 Y CB 0.930 39.427 38.460 0.062 0.000 1.299 173 Y HN 0.382 nan 8.280 nan 0.000 0.498 174 Q N 2.189 121.979 119.800 -0.017 0.000 2.322 174 Q HA 0.459 4.799 4.340 0.000 0.000 0.265 174 Q C -0.983 174.964 176.000 -0.088 0.000 0.985 174 Q CA -0.623 55.122 55.803 -0.097 0.000 0.849 174 Q CB 2.600 31.343 28.738 0.008 0.000 1.274 174 Q HN 0.837 nan 8.270 nan 0.000 0.449 175 L N 1.603 122.756 121.223 -0.115 0.000 2.395 175 L HA 0.300 4.640 4.340 0.000 0.000 0.269 175 L C 1.187 178.068 176.870 0.018 0.000 1.133 175 L CA -0.498 54.338 54.840 -0.007 0.000 0.812 175 L CB 0.529 42.634 42.059 0.077 0.000 1.125 175 L HN 0.635 nan 8.230 nan 0.000 0.452 176 T N -0.834 113.716 114.554 -0.007 0.000 2.860 176 T HA 0.088 4.438 4.350 0.000 0.000 0.299 176 T C 0.970 175.669 174.700 -0.002 0.000 1.045 176 T CA -0.645 61.442 62.100 -0.022 0.000 1.071 176 T CB 0.926 69.745 68.868 -0.082 0.000 0.985 176 T HN 0.486 nan 8.240 nan 0.000 0.537 177 L N 0.816 122.044 121.223 0.010 0.000 2.012 177 L HA -0.066 4.274 4.340 0.000 0.000 0.210 177 L C 2.303 179.201 176.870 0.046 0.000 1.073 177 L CA 1.989 56.841 54.840 0.019 0.000 0.748 177 L CB -1.244 40.823 42.059 0.015 0.000 0.891 177 L HN 0.927 nan 8.230 nan 0.000 0.431 178 D N -0.749 119.685 120.400 0.057 0.000 2.149 178 D HA -0.230 4.410 4.640 0.000 0.000 0.198 178 D C 1.865 178.318 176.300 0.255 0.000 0.990 178 D CA 1.571 55.657 54.000 0.145 0.000 0.839 178 D CB 0.249 41.151 40.800 0.170 0.000 0.948 178 D HN 0.587 nan 8.370 nan 0.000 0.460 179 E N 0.080 120.318 120.200 0.064 0.000 2.051 179 E HA -0.181 4.169 4.350 0.000 0.000 0.192 179 E C 2.159 178.973 176.600 0.358 0.000 0.991 179 E CA 0.369 56.835 56.400 0.110 0.000 0.799 179 E CB -0.120 29.482 29.700 -0.165 0.000 0.748 179 E HN 0.138 nan 8.360 nan 0.000 0.449 180 L N 1.402 122.735 121.223 0.183 0.000 2.043 180 L HA -0.206 4.134 4.340 0.000 0.000 0.212 180 L C 2.001 178.920 176.870 0.081 0.000 1.075 180 L CA 1.577 56.468 54.840 0.085 0.000 0.752 180 L CB -0.331 41.714 42.059 -0.023 0.000 0.891 180 L HN 0.160 nan 8.230 nan 0.000 0.432 181 I N -1.473 119.165 120.570 0.113 0.000 2.099 181 I HA -0.350 3.820 4.170 0.000 0.000 0.239 181 I C 2.378 178.597 176.117 0.171 0.000 1.066 181 I CA 1.884 63.237 61.300 0.089 0.000 1.324 181 I CB -0.470 37.583 38.000 0.088 0.000 1.037 181 I HN 0.308 nan 8.210 nan 0.000 0.401 182 F N 1.683 121.735 119.950 0.171 0.000 2.154 182 F HA -0.299 4.228 4.527 0.000 0.000 0.301 182 F C 2.418 178.363 175.800 0.242 0.000 1.087 182 F CA 1.590 59.724 58.000 0.223 0.000 1.274 182 F CB -0.249 38.941 39.000 0.316 0.000 1.009 182 F HN 0.032 nan 8.300 nan 0.000 0.485 183 A N -0.269 122.779 122.820 0.381 0.000 1.898 183 A HA -0.195 4.125 4.320 0.000 0.000 0.216 183 A C 2.241 179.779 177.584 -0.077 0.000 1.181 183 A CA 2.311 54.432 52.037 0.141 0.000 0.620 183 A CB -1.573 17.446 19.000 0.031 0.000 0.819 183 A HN 0.521 nan 8.150 nan 0.000 0.442 184 T N -1.973 112.551 114.554 -0.050 0.000 2.904 184 T HA -0.059 4.291 4.350 0.000 0.000 0.267 184 T C 1.741 176.479 174.700 0.064 0.000 1.059 184 T CA 1.476 63.559 62.100 -0.028 0.000 1.137 184 T CB -0.229 68.632 68.868 -0.012 0.000 0.879 184 T HN 0.537 nan 8.240 nan 0.000 0.467 185 K N 0.118 120.553 120.400 0.059 0.000 2.116 185 K HA 0.154 4.474 4.320 0.000 0.000 0.203 185 K C 2.414 179.126 176.600 0.186 0.000 1.052 185 K CA 0.786 57.195 56.287 0.202 0.000 0.952 185 K CB -0.185 32.389 32.500 0.122 0.000 0.729 185 K HN 0.217 nan 8.250 nan 0.000 0.446 186 M N 0.919 120.466 119.600 -0.088 0.000 2.067 186 M HA -0.093 4.387 4.480 0.000 0.000 0.260 186 M C 2.506 178.715 176.300 -0.151 0.000 1.069 186 M CA 1.553 56.734 55.300 -0.199 0.000 1.117 186 M CB -1.251 31.168 32.600 -0.303 0.000 1.334 186 M HN 0.152 nan 8.290 nan 0.000 0.407 187 A N -0.506 122.176 122.820 -0.230 0.000 1.948 187 A HA -0.239 4.081 4.320 0.000 0.000 0.220 187 A C 2.051 179.500 177.584 -0.224 0.000 1.177 187 A CA 1.859 53.613 52.037 -0.472 0.000 0.636 187 A CB -1.214 17.088 19.000 -1.164 0.000 0.815 187 A HN 0.692 nan 8.150 nan 0.000 0.449 188 W N 0.643 121.868 121.300 -0.125 0.000 2.380 188 W HA -0.118 4.542 4.660 0.000 0.000 0.317 188 W C 2.398 178.847 176.519 -0.118 0.000 1.196 188 W CA 1.501 58.822 57.345 -0.042 0.000 1.307 188 W CB -0.928 28.506 29.460 -0.043 0.000 1.157 188 W HN 0.375 nan 8.180 nan 0.000 0.483 189 R N 0.338 120.828 120.500 -0.017 0.000 2.133 189 R HA -0.221 4.119 4.340 0.000 0.000 0.247 189 R C 1.136 177.312 176.300 -0.207 0.000 1.151 189 R CA 1.951 57.879 56.100 -0.287 0.000 0.971 189 R CB -0.645 29.344 30.300 -0.519 0.000 0.866 189 R HN 0.086 nan 8.270 nan 0.000 0.447 190 N N -0.009 118.597 118.700 -0.155 0.000 2.322 190 N HA 0.076 4.816 4.740 0.000 0.000 0.216 190 N C -1.014 174.397 175.510 -0.165 0.000 1.144 190 N CA 0.433 53.410 53.050 -0.123 0.000 0.830 190 N CB 1.152 39.611 38.487 -0.047 0.000 1.034 190 N HN 0.186 nan 8.380 nan 0.000 0.484 191 A N 1.197 123.922 122.820 -0.159 0.000 2.391 191 A HA 0.409 4.729 4.320 0.000 0.000 0.316 191 A C -1.383 176.119 177.584 -0.137 0.000 1.381 191 A CA -1.260 50.642 52.037 -0.225 0.000 0.998 191 A CB 0.694 19.622 19.000 -0.119 0.000 1.147 191 A HN -0.041 nan 8.150 nan 0.000 0.545 192 P HA -0.151 nan 4.420 nan 0.000 0.218 192 P C 1.054 178.309 177.300 -0.074 0.000 1.146 192 P CA 1.247 64.304 63.100 -0.073 0.000 0.813 192 P CB 0.170 31.845 31.700 -0.042 0.000 0.778 193 R N -2.479 117.941 120.500 -0.134 0.000 2.334 193 R HA 0.172 4.512 4.340 0.000 0.000 0.216 193 R C 0.247 176.551 176.300 0.008 0.000 0.905 193 R CA -0.175 55.884 56.100 -0.067 0.000 1.064 193 R CB -0.297 29.773 30.300 -0.382 0.000 1.046 193 R HN 0.171 nan 8.270 nan 0.000 0.508 194 C N 1.008 120.270 119.300 -0.064 0.000 2.325 194 C HA 0.251 4.711 4.460 0.000 0.000 0.347 194 C C 1.801 176.695 174.990 -0.161 0.000 1.263 194 C CA -0.874 58.115 59.018 -0.047 0.000 1.806 194 C CB -0.463 27.307 27.740 0.049 0.000 2.405 194 C HN 0.461 nan 8.230 nan 0.000 0.537 195 I N 4.840 125.299 120.570 -0.185 0.000 2.500 195 I HA 0.196 4.366 4.170 0.000 0.000 0.252 195 I C 2.050 178.104 176.117 -0.104 0.000 1.142 195 I CA 1.647 62.764 61.300 -0.305 0.000 1.451 195 I CB -0.123 37.752 38.000 -0.209 0.000 1.093 195 I HN 0.836 nan 8.210 nan 0.000 0.430 196 G N 0.070 108.840 108.800 -0.050 0.000 3.379 196 G HA2 0.001 3.961 3.960 0.000 0.000 0.253 196 G HA3 0.001 3.961 3.960 0.000 0.000 0.253 196 G C 1.296 176.125 174.900 -0.119 0.000 1.262 196 G CA -0.342 44.735 45.100 -0.038 0.000 0.959 196 G HN 0.255 nan 8.290 nan 0.000 0.524 197 R N -0.331 120.022 120.500 -0.246 0.000 2.339 197 R HA 0.154 4.494 4.340 0.000 0.000 0.199 197 R C 1.940 177.653 176.300 -0.978 0.000 1.018 197 R CA 0.015 55.679 56.100 -0.725 0.000 1.036 197 R CB -0.084 29.846 30.300 -0.616 0.000 0.899 197 R HN 0.480 nan 8.270 nan 0.000 0.473 198 I N 0.731 120.947 120.570 -0.589 0.000 2.614 198 I HA -0.236 3.934 4.170 0.000 0.000 0.258 198 I C 1.471 177.494 176.117 -0.157 0.000 1.189 198 I CA 1.182 62.327 61.300 -0.258 0.000 1.462 198 I CB 0.192 38.192 38.000 0.000 0.000 1.092 198 I HN 0.191 nan 8.210 nan 0.000 0.442 199 Q N 0.632 120.231 119.800 -0.335 0.000 2.451 199 Q HA -0.138 4.202 4.340 0.000 0.000 0.206 199 Q C 1.692 177.253 176.000 -0.732 0.000 0.947 199 Q CA 0.686 56.284 55.803 -0.342 0.000 0.937 199 Q CB -0.289 28.377 28.738 -0.120 0.000 1.025 199 Q HN 0.774 nan 8.270 nan 0.000 0.511 200 W N 1.698 122.230 121.300 -1.280 0.000 2.257 200 W HA -0.349 4.311 4.660 0.000 0.000 0.325 200 W C 1.458 177.729 176.519 -0.413 0.000 1.296 200 W CA 1.906 58.467 57.345 -1.306 0.000 1.297 200 W CB -1.630 27.288 29.460 -0.904 0.000 1.131 200 W HN 0.192 nan 8.180 nan 0.000 0.492 201 S N 0.513 115.202 115.700 -1.684 0.000 2.453 201 S HA -0.129 4.341 4.470 0.000 0.000 0.231 201 S C 0.862 175.124 174.600 -0.562 0.000 1.005 201 S CA 0.949 58.314 58.200 -1.392 0.000 0.949 201 S CB -0.711 61.562 63.200 -1.545 0.000 0.774 201 S HN 0.294 nan 8.310 nan 0.000 0.510 202 N N 1.058 119.552 118.700 -0.344 0.000 3.083 202 N HA 0.498 5.238 4.740 0.000 0.000 0.260 202 N C -1.219 174.320 175.510 0.048 0.000 1.163 202 N CA -0.446 52.538 53.050 -0.110 0.000 1.060 202 N CB 0.213 38.670 38.487 -0.049 0.000 1.345 202 N HN 0.372 nan 8.380 nan 0.000 0.515 203 L N 1.341 122.567 121.223 0.004 0.000 2.422 203 L HA 0.561 4.901 4.340 0.000 0.000 0.264 203 L C -0.996 175.799 176.870 -0.125 0.000 0.984 203 L CA -0.784 54.054 54.840 -0.002 0.000 0.819 203 L CB 2.017 44.111 42.059 0.060 0.000 1.330 203 L HN 0.259 nan 8.230 nan 0.000 0.410 204 Q N 2.669 122.334 119.800 -0.225 0.000 2.257 204 Q HA 0.646 4.986 4.340 0.000 0.000 0.255 204 Q C -1.824 173.796 176.000 -0.635 0.000 0.920 204 Q CA -0.354 55.168 55.803 -0.469 0.000 0.927 204 Q CB 1.656 29.999 28.738 -0.658 0.000 1.229 204 Q HN 0.519 nan 8.270 nan 0.000 0.433 205 V N 5.492 125.036 119.914 -0.616 0.000 2.384 205 V HA 0.458 4.578 4.120 0.000 0.000 0.287 205 V C -0.926 174.814 176.094 -0.590 0.000 1.020 205 V CA -0.619 61.375 62.300 -0.509 0.000 0.850 205 V CB 0.779 32.448 31.823 -0.256 0.000 0.987 205 V HN 0.667 nan 8.190 nan 0.000 0.436 206 F N 2.558 122.369 119.950 -0.232 0.000 2.361 206 F HA 0.370 4.897 4.527 0.000 0.000 0.364 206 F C 0.554 176.205 175.800 -0.249 0.000 1.120 206 F CA -1.311 56.552 58.000 -0.230 0.000 1.102 206 F CB 1.001 39.862 39.000 -0.232 0.000 1.183 206 F HN 0.442 nan 8.300 nan 0.000 0.476 207 D N 3.505 123.899 120.400 -0.010 0.000 2.435 207 D HA 0.311 4.951 4.640 0.000 0.000 0.230 207 D C 0.217 176.430 176.300 -0.145 0.000 1.215 207 D CA 0.199 54.149 54.000 -0.084 0.000 0.947 207 D CB 0.687 41.466 40.800 -0.035 0.000 1.048 207 D HN 0.577 nan 8.370 nan 0.000 0.512 208 A N 4.511 127.142 122.820 -0.316 0.000 2.827 208 A HA 0.176 4.496 4.320 0.000 0.000 0.300 208 A C 1.595 179.064 177.584 -0.191 0.000 1.237 208 A CA -0.441 51.313 52.037 -0.473 0.000 0.964 208 A CB -0.005 18.351 19.000 -1.073 0.000 1.143 208 A HN 0.482 nan 8.150 nan 0.000 0.554 209 R N -0.075 120.361 120.500 -0.105 0.000 2.280 209 R HA -0.016 4.324 4.340 0.000 0.000 0.207 209 R C 0.837 177.113 176.300 -0.040 0.000 1.043 209 R CA 0.616 56.682 56.100 -0.057 0.000 1.006 209 R CB 0.077 30.379 30.300 0.004 0.000 0.885 209 R HN 0.452 nan 8.270 nan 0.000 0.467 210 N N 0.256 118.957 118.700 0.003 0.000 2.416 210 N HA -0.072 4.668 4.740 0.000 0.000 0.177 210 N C 0.701 176.267 175.510 0.094 0.000 1.036 210 N CA 0.226 53.308 53.050 0.053 0.000 0.901 210 N CB -0.223 38.312 38.487 0.081 0.000 0.976 210 N HN 0.102 nan 8.380 nan 0.000 0.444 211 C N 1.665 121.034 119.300 0.115 0.000 2.608 211 C HA 0.068 4.528 4.460 0.000 0.000 0.407 211 C C 1.671 176.806 174.990 0.241 0.000 1.322 211 C CA 0.829 59.972 59.018 0.208 0.000 1.778 211 C CB -0.234 27.659 27.740 0.255 0.000 2.654 211 C HN 0.590 nan 8.230 nan 0.000 0.622 212 S N 0.799 116.675 115.700 0.292 0.000 2.760 212 S HA 0.214 4.684 4.470 0.000 0.000 0.263 212 S C -0.113 174.582 174.600 0.159 0.000 1.007 212 S CA 0.289 58.672 58.200 0.304 0.000 1.358 212 S CB -0.172 63.136 63.200 0.180 0.000 1.228 212 S HN 1.086 nan 8.310 nan 0.000 0.684 213 T N -0.975 113.660 114.554 0.135 0.000 2.903 213 T HA 0.846 5.196 4.350 0.000 0.000 0.299 213 T C 1.125 175.848 174.700 0.037 0.000 1.093 213 T CA -0.250 61.880 62.100 0.050 0.000 1.002 213 T CB 1.481 70.383 68.868 0.057 0.000 1.127 213 T HN 0.207 nan 8.240 nan 0.000 0.488 214 A N 0.773 123.605 122.820 0.020 0.000 1.908 214 A HA -0.126 4.194 4.320 0.000 0.000 0.218 214 A C 2.263 179.853 177.584 0.010 0.000 1.181 214 A CA 2.162 54.222 52.037 0.038 0.000 0.627 214 A CB -1.069 18.045 19.000 0.191 0.000 0.818 214 A HN 0.863 nan 8.150 nan 0.000 0.445 215 Q N 0.099 119.991 119.800 0.153 0.000 2.135 215 Q HA -0.182 4.158 4.340 0.000 0.000 0.204 215 Q C 1.736 177.769 176.000 0.054 0.000 0.981 215 Q CA 2.286 58.180 55.803 0.151 0.000 0.856 215 Q CB -0.326 28.534 28.738 0.204 0.000 0.902 215 Q HN 0.772 nan 8.270 nan 0.000 0.425 216 E N -0.836 119.397 120.200 0.056 0.000 2.216 216 E HA -0.088 4.262 4.350 0.000 0.000 0.192 216 E C 1.824 178.499 176.600 0.125 0.000 0.988 216 E CA 0.747 57.186 56.400 0.065 0.000 0.834 216 E CB -0.075 29.702 29.700 0.128 0.000 0.772 216 E HN 0.422 nan 8.360 nan 0.000 0.479 217 M N 0.247 119.873 119.600 0.043 0.000 2.077 217 M HA -0.156 4.324 4.480 0.000 0.000 0.261 217 M C 2.050 178.361 176.300 0.019 0.000 1.070 217 M CA 1.398 56.660 55.300 -0.064 0.000 1.125 217 M CB -0.121 32.264 32.600 -0.358 0.000 1.339 217 M HN 0.134 nan 8.290 nan 0.000 0.409 218 F N 1.050 120.781 119.950 -0.365 0.000 2.154 218 F HA -0.290 4.237 4.527 0.000 0.000 0.301 218 F C 2.086 177.758 175.800 -0.215 0.000 1.087 218 F CA 2.040 59.756 58.000 -0.473 0.000 1.274 218 F CB -0.449 37.863 39.000 -1.147 0.000 1.009 218 F HN 0.283 nan 8.300 nan 0.000 0.485 219 Q N -1.110 118.506 119.800 -0.307 0.000 2.119 219 Q HA -0.187 4.153 4.340 0.000 0.000 0.201 219 Q C 2.223 178.033 176.000 -0.317 0.000 0.972 219 Q CA 1.519 57.100 55.803 -0.370 0.000 0.847 219 Q CB -0.344 28.247 28.738 -0.245 0.000 0.903 219 Q HN 0.523 nan 8.270 nan 0.000 0.433 220 H N 0.124 119.135 119.070 -0.099 0.000 2.357 220 H HA -0.062 4.494 4.556 0.000 0.000 0.301 220 H C 2.122 177.384 175.328 -0.109 0.000 1.082 220 H CA 1.192 57.198 56.048 -0.069 0.000 1.342 220 H CB -0.006 29.837 29.762 0.136 0.000 1.389 220 H HN 0.261 nan 8.280 nan 0.000 0.511 221 I N 0.078 120.687 120.570 0.065 0.000 2.264 221 I HA -0.295 3.875 4.170 0.000 0.000 0.248 221 I C 2.574 178.614 176.117 -0.127 0.000 1.111 221 I CA 0.777 62.061 61.300 -0.026 0.000 1.382 221 I CB -0.237 37.743 38.000 -0.034 0.000 1.060 221 I HN 0.239 nan 8.210 nan 0.000 0.418 222 C N 0.098 119.216 119.300 -0.303 0.000 2.446 222 C HA -0.125 4.335 4.460 0.000 0.000 0.277 222 C C 2.950 177.839 174.990 -0.168 0.000 1.275 222 C CA 0.541 59.383 59.018 -0.293 0.000 1.727 222 C CB -1.111 26.345 27.740 -0.475 0.000 2.010 222 C HN 0.461 nan 8.230 nan 0.000 0.486 223 R N 0.042 120.422 120.500 -0.201 0.000 2.105 223 R HA -0.181 4.159 4.340 0.000 0.000 0.239 223 R C 2.050 178.229 176.300 -0.202 0.000 1.135 223 R CA 1.950 57.911 56.100 -0.231 0.000 0.967 223 R CB -0.567 29.518 30.300 -0.359 0.000 0.861 223 R HN 0.754 nan 8.270 nan 0.000 0.442 224 H N 0.169 119.091 119.070 -0.246 0.000 2.256 224 H HA -0.061 4.495 4.556 0.000 0.000 0.299 224 H C 2.186 177.553 175.328 0.066 0.000 1.071 224 H CA 2.475 58.484 56.048 -0.065 0.000 1.280 224 H CB -0.163 29.582 29.762 -0.027 0.000 1.370 224 H HN 0.114 nan 8.280 nan 0.000 0.490 225 I N -0.006 120.707 120.570 0.239 0.000 2.145 225 I HA -0.302 3.868 4.170 0.000 0.000 0.244 225 I C 2.455 178.631 176.117 0.098 0.000 1.075 225 I CA 1.294 62.681 61.300 0.146 0.000 1.332 225 I CB -0.296 37.724 38.000 0.033 0.000 1.033 225 I HN 0.329 nan 8.210 nan 0.000 0.410 226 L N -0.116 121.137 121.223 0.050 0.000 2.046 226 L HA -0.261 4.079 4.340 0.000 0.000 0.208 226 L C 2.463 179.368 176.870 0.058 0.000 1.077 226 L CA 1.795 56.653 54.840 0.030 0.000 0.747 226 L CB -0.735 41.321 42.059 -0.006 0.000 0.896 226 L HN 0.244 nan 8.230 nan 0.000 0.432 227 Y N -0.073 120.222 120.300 -0.008 0.000 2.109 227 Y HA -0.185 4.365 4.550 0.000 0.000 0.285 227 Y C 2.428 178.359 175.900 0.051 0.000 1.131 227 Y CA 1.931 60.055 58.100 0.040 0.000 1.121 227 Y CB -0.698 37.842 38.460 0.133 0.000 0.987 227 Y HN 0.205 nan 8.280 nan 0.000 0.495 228 A N -0.267 122.668 122.820 0.192 0.000 1.892 228 A HA -0.255 4.065 4.320 0.000 0.000 0.218 228 A C 2.209 179.805 177.584 0.020 0.000 1.188 228 A CA 2.668 54.772 52.037 0.112 0.000 0.631 228 A CB -1.512 17.615 19.000 0.211 0.000 0.822 228 A HN 0.570 nan 8.150 nan 0.000 0.447 229 T N -0.227 114.350 114.554 0.038 0.000 2.684 229 T HA -0.157 4.193 4.350 0.000 0.000 0.267 229 T C 1.157 175.844 174.700 -0.023 0.000 1.036 229 T CA 1.347 63.466 62.100 0.031 0.000 1.148 229 T CB -0.496 68.394 68.868 0.036 0.000 0.863 229 T HN 0.633 nan 8.240 nan 0.000 0.436 230 N N 1.538 120.190 118.700 -0.080 0.000 2.702 230 N HA -0.249 4.491 4.740 0.000 0.000 0.255 230 N C -0.083 175.388 175.510 -0.064 0.000 0.983 230 N CA 0.892 53.876 53.050 -0.111 0.000 0.768 230 N CB -1.805 36.567 38.487 -0.191 0.000 0.918 230 N HN 0.439 nan 8.380 nan 0.000 0.540 231 N N -1.395 117.282 118.700 -0.038 0.000 2.727 231 N HA -0.211 4.529 4.740 0.000 0.000 0.249 231 N C 1.041 176.533 175.510 -0.029 0.000 1.048 231 N CA 2.384 55.416 53.050 -0.030 0.000 0.714 231 N CB -1.238 37.229 38.487 -0.033 0.000 0.959 231 N HN 1.133 nan 8.380 nan 0.000 0.544 232 G N -0.766 108.025 108.800 -0.016 0.000 2.308 232 G HA2 -0.344 3.616 3.960 0.000 0.000 0.221 232 G HA3 -0.344 3.616 3.960 0.000 0.000 0.221 232 G C 0.120 175.015 174.900 -0.009 0.000 1.032 232 G CA 0.202 45.297 45.100 -0.007 0.000 0.623 232 G HN 0.697 nan 8.290 nan 0.000 0.506 233 N N 2.382 121.058 118.700 -0.039 0.000 3.050 233 N HA 0.285 5.025 4.740 0.000 0.000 0.289 233 N C 0.851 176.332 175.510 -0.048 0.000 1.209 233 N CA -0.429 52.582 53.050 -0.064 0.000 1.154 233 N CB -0.563 37.878 38.487 -0.077 0.000 1.444 233 N HN 0.378 nan 8.380 nan 0.000 0.529 234 I N 1.634 122.208 120.570 0.007 0.000 2.845 234 I HA -0.096 4.074 4.170 0.000 0.000 0.296 234 I C 0.925 177.130 176.117 0.148 0.000 1.216 234 I CA 0.729 62.090 61.300 0.100 0.000 1.438 234 I CB -0.270 37.874 38.000 0.240 0.000 1.342 234 I HN 0.264 nan 8.210 nan 0.000 0.577 235 R N 3.652 124.223 120.500 0.119 0.000 2.534 235 R HA 0.407 4.747 4.340 0.000 0.000 0.301 235 R C -0.408 176.015 176.300 0.204 0.000 0.961 235 R CA -0.639 55.550 56.100 0.148 0.000 0.871 235 R CB 1.955 32.207 30.300 -0.079 0.000 1.170 235 R HN 0.562 nan 8.270 nan 0.000 0.446 236 S N 1.337 117.151 115.700 0.189 0.000 2.549 236 S HA 0.577 5.047 4.470 0.000 0.000 0.279 236 S C -0.439 174.152 174.600 -0.016 0.000 1.321 236 S CA -0.223 57.982 58.200 0.010 0.000 1.054 236 S CB 1.322 64.450 63.200 -0.119 0.000 0.899 236 S HN 0.697 nan 8.310 nan 0.000 0.497 237 A N 2.721 125.479 122.820 -0.103 0.000 2.610 237 A HA 0.812 5.132 4.320 0.000 0.000 0.291 237 A C -1.471 176.041 177.584 -0.121 0.000 1.086 237 A CA -0.631 51.257 52.037 -0.248 0.000 0.677 237 A CB 1.092 19.864 19.000 -0.381 0.000 1.278 237 A HN 0.783 nan 8.150 nan 0.000 0.414 238 I N 0.291 120.772 120.570 -0.147 0.000 2.656 238 I HA 0.594 4.764 4.170 0.000 0.000 0.292 238 I C -1.131 175.022 176.117 0.060 0.000 1.144 238 I CA -0.094 61.264 61.300 0.098 0.000 1.038 238 I CB 2.382 40.377 38.000 -0.008 0.000 1.244 238 I HN 0.584 nan 8.210 nan 0.000 0.420 239 T N 6.413 121.053 114.554 0.144 0.000 2.788 239 T HA 0.393 4.743 4.350 0.000 0.000 0.296 239 T C -0.613 173.856 174.700 -0.385 0.000 1.009 239 T CA -0.275 61.782 62.100 -0.073 0.000 0.949 239 T CB 1.167 69.989 68.868 -0.076 0.000 0.946 239 T HN 0.257 nan 8.240 nan 0.000 0.453 240 V N 5.737 125.421 119.914 -0.383 0.000 2.385 240 V HA 0.426 4.546 4.120 0.000 0.000 0.269 240 V C -0.164 175.680 176.094 -0.418 0.000 1.043 240 V CA -0.527 61.563 62.300 -0.350 0.000 0.906 240 V CB -0.016 31.619 31.823 -0.315 0.000 0.995 240 V HN 0.764 nan 8.190 nan 0.000 0.467 241 F N 5.132 125.039 119.950 -0.072 0.000 2.411 241 F HA 0.453 4.980 4.527 0.000 0.000 0.324 241 F C -1.741 173.937 175.800 -0.203 0.000 1.086 241 F CA -2.630 55.243 58.000 -0.212 0.000 1.028 241 F CB 1.015 39.900 39.000 -0.191 0.000 1.284 241 F HN 0.319 nan 8.300 nan 0.000 0.501 242 P HA -0.115 nan 4.420 nan 0.000 0.259 242 P C -1.128 176.108 177.300 -0.108 0.000 1.163 242 P CA 0.272 63.179 63.100 -0.321 0.000 0.760 242 P CB 0.155 31.396 31.700 -0.764 0.000 0.762 243 Q N 3.671 123.379 119.800 -0.153 0.000 2.421 243 Q HA 0.075 4.415 4.340 0.000 0.000 0.255 243 Q C 0.180 176.079 176.000 -0.169 0.000 1.013 243 Q CA -0.514 55.028 55.803 -0.435 0.000 0.895 243 Q CB 0.763 28.960 28.738 -0.903 0.000 1.271 243 Q HN 0.338 nan 8.270 nan 0.000 0.460 244 R N 1.338 121.751 120.500 -0.145 0.000 2.570 244 R HA -0.009 4.331 4.340 0.000 0.000 0.277 244 R C -0.017 176.258 176.300 -0.041 0.000 1.039 244 R CA 0.840 56.926 56.100 -0.022 0.000 1.065 244 R CB 0.517 30.805 30.300 -0.020 0.000 0.964 244 R HN 0.972 nan 8.270 nan 0.000 0.428 245 S N 2.431 118.143 115.700 0.019 0.000 3.037 245 S HA -0.032 4.438 4.470 0.000 0.000 0.173 245 S C 1.046 175.642 174.600 -0.007 0.000 0.681 245 S CA 0.162 58.372 58.200 0.017 0.000 0.807 245 S CB -0.234 63.011 63.200 0.075 0.000 0.789 245 S HN 0.817 nan 8.310 nan 0.000 0.637 246 D N 0.705 121.083 120.400 -0.037 0.000 2.240 246 D HA 0.259 4.899 4.640 0.000 0.000 0.206 246 D C 1.565 177.807 176.300 -0.098 0.000 0.963 246 D CA 1.488 55.434 54.000 -0.089 0.000 0.863 246 D CB -0.392 40.304 40.800 -0.173 0.000 0.973 246 D HN 0.850 nan 8.370 nan 0.000 0.501 247 G N 0.406 109.146 108.800 -0.100 0.000 2.481 247 G HA2 -0.240 3.720 3.960 0.000 0.000 0.200 247 G HA3 -0.240 3.720 3.960 0.000 0.000 0.200 247 G C 1.136 175.993 174.900 -0.071 0.000 1.012 247 G CA 0.190 45.253 45.100 -0.061 0.000 0.676 247 G HN 0.295 nan 8.290 nan 0.000 0.488 248 K N 0.837 121.122 120.400 -0.191 0.000 2.426 248 K HA 0.284 4.604 4.320 0.000 0.000 0.193 248 K C 0.675 177.281 176.600 0.010 0.000 1.028 248 K CA 0.537 56.740 56.287 -0.140 0.000 1.047 248 K CB 0.065 32.444 32.500 -0.202 0.000 0.821 248 K HN 0.505 nan 8.250 nan 0.000 0.513 249 H N 0.605 119.689 119.070 0.024 0.000 2.507 249 H HA 0.242 4.798 4.556 0.000 0.000 0.281 249 H C -0.780 174.583 175.328 0.059 0.000 1.160 249 H CA -0.989 55.070 56.048 0.018 0.000 0.981 249 H CB -0.477 29.312 29.762 0.044 0.000 1.665 249 H HN 0.008 nan 8.280 nan 0.000 0.554 250 D N 0.436 120.929 120.400 0.154 0.000 2.350 250 D HA 0.081 4.722 4.640 0.000 0.000 0.249 250 D C 0.078 176.459 176.300 0.134 0.000 1.119 250 D CA 0.045 54.154 54.000 0.181 0.000 0.886 250 D CB 0.834 41.720 40.800 0.143 0.000 1.195 250 D HN 0.045 nan 8.370 nan 0.000 0.437 251 F N 2.318 122.323 119.950 0.092 0.000 2.410 251 F HA 0.376 4.903 4.527 0.000 0.000 0.349 251 F C 0.859 176.718 175.800 0.097 0.000 1.117 251 F CA -0.283 57.751 58.000 0.057 0.000 1.104 251 F CB 0.865 39.893 39.000 0.047 0.000 1.122 251 F HN -0.149 nan 8.300 nan 0.000 0.483 252 R N 4.124 124.752 120.500 0.215 0.000 2.522 252 R HA 0.383 4.723 4.340 0.000 0.000 0.283 252 R C -1.732 174.761 176.300 0.321 0.000 1.074 252 R CA -1.007 55.250 56.100 0.263 0.000 0.925 252 R CB 1.978 32.443 30.300 0.274 0.000 1.205 252 R HN 0.509 nan 8.270 nan 0.000 0.436 253 L N 2.441 123.829 121.223 0.276 0.000 2.281 253 L HA 0.279 4.619 4.340 0.000 0.000 0.285 253 L C 0.840 177.968 176.870 0.430 0.000 1.074 253 L CA -0.056 54.951 54.840 0.278 0.000 0.817 253 L CB 0.441 42.592 42.059 0.153 0.000 1.168 253 L HN 0.560 nan 8.230 nan 0.000 0.434 254 W N 0.963 122.372 121.300 0.182 0.000 2.800 254 W HA 0.017 4.677 4.660 0.000 0.000 0.249 254 W C 0.660 177.424 176.519 0.408 0.000 1.294 254 W CA -0.434 57.131 57.345 0.366 0.000 1.402 254 W CB -0.953 28.755 29.460 0.413 0.000 1.126 254 W HN 0.493 nan 8.180 nan 0.000 0.652 255 N N -0.447 118.433 118.700 0.300 0.000 2.467 255 N HA 0.055 4.795 4.740 0.000 0.000 0.262 255 N C 1.376 176.779 175.510 -0.178 0.000 1.234 255 N CA 0.701 53.605 53.050 -0.244 0.000 0.952 255 N CB 0.821 39.191 38.487 -0.195 0.000 1.158 255 N HN -0.172 nan 8.380 nan 0.000 0.463 256 S N 0.310 115.833 115.700 -0.296 0.000 2.362 256 S HA -0.010 4.460 4.470 0.000 0.000 0.221 256 S C 0.269 174.770 174.600 -0.165 0.000 1.032 256 S CA 0.625 58.737 58.200 -0.147 0.000 0.973 256 S CB -0.082 63.058 63.200 -0.100 0.000 0.849 256 S HN 0.635 nan 8.310 nan 0.000 0.465 257 Q N -0.506 119.177 119.800 -0.195 0.000 2.484 257 Q HA 0.547 4.887 4.340 0.000 0.000 0.285 257 Q C 0.410 176.273 176.000 -0.228 0.000 1.097 257 Q CA -0.634 55.049 55.803 -0.199 0.000 0.802 257 Q CB 1.899 30.560 28.738 -0.129 0.000 1.444 257 Q HN 0.099 nan 8.270 nan 0.000 0.429 258 L N 0.278 121.359 121.223 -0.236 0.000 1.948 258 L HA -0.044 4.296 4.340 0.000 0.000 0.212 258 L C 0.760 177.470 176.870 -0.266 0.000 1.074 258 L CA 1.115 55.824 54.840 -0.217 0.000 0.753 258 L CB -0.096 41.836 42.059 -0.212 0.000 0.888 258 L HN 0.520 nan 8.230 nan 0.000 0.432 259 I N 0.399 120.736 120.570 -0.388 0.000 2.365 259 I HA 0.320 4.490 4.170 0.000 0.000 0.291 259 I C -0.128 175.409 176.117 -0.968 0.000 1.004 259 I CA 0.037 60.943 61.300 -0.656 0.000 1.311 259 I CB 1.032 38.520 38.000 -0.854 0.000 1.401 259 I HN 0.222 nan 8.210 nan 0.000 0.491 260 R N 5.155 125.187 120.500 -0.779 0.000 2.678 260 R HA 0.334 4.674 4.340 0.000 0.000 0.267 260 R C -1.617 174.545 176.300 -0.231 0.000 1.173 260 R CA -0.573 55.220 56.100 -0.511 0.000 1.061 260 R CB 0.589 30.740 30.300 -0.248 0.000 1.262 260 R HN 0.272 nan 8.270 nan 0.000 0.427 261 Y N 1.793 122.124 120.300 0.052 0.000 2.550 261 Y HA 0.432 4.982 4.550 0.000 0.000 0.343 261 Y C 1.120 177.065 175.900 0.075 0.000 1.245 261 Y CA 0.340 58.514 58.100 0.124 0.000 1.462 261 Y CB 0.565 39.197 38.460 0.288 0.000 1.340 261 Y HN 0.701 nan 8.280 nan 0.000 0.604 262 A N 1.074 124.016 122.820 0.202 0.000 2.293 262 A HA 0.728 5.048 4.320 0.000 0.000 0.302 262 A C 0.322 177.720 177.584 -0.310 0.000 1.119 262 A CA 0.004 51.982 52.037 -0.099 0.000 0.823 262 A CB 0.282 19.182 19.000 -0.166 0.000 1.097 262 A HN 0.906 nan 8.150 nan 0.000 0.491 263 G N 0.587 109.155 108.800 -0.388 0.000 2.675 263 G HA2 0.567 4.527 3.960 0.000 0.000 0.297 263 G HA3 0.567 4.527 3.960 0.000 0.000 0.297 263 G C -1.055 173.667 174.900 -0.296 0.000 1.399 263 G CA -0.231 44.683 45.100 -0.310 0.000 0.981 263 G HN 0.534 nan 8.290 nan 0.000 0.519 264 Y N 0.947 121.319 120.300 0.121 0.000 2.457 264 Y HA 0.480 5.030 4.550 0.000 0.000 0.333 264 Y C 1.014 176.997 175.900 0.138 0.000 1.119 264 Y CA -1.140 57.059 58.100 0.165 0.000 1.143 264 Y CB 1.326 39.950 38.460 0.273 0.000 1.230 264 Y HN 0.308 nan 8.280 nan 0.000 0.469 265 Q N 0.807 120.786 119.800 0.298 0.000 2.418 265 Q HA 0.396 4.736 4.340 0.000 0.000 0.178 265 Q C -0.875 175.222 176.000 0.161 0.000 1.141 265 Q CA -0.053 55.854 55.803 0.174 0.000 1.190 265 Q CB 0.620 29.437 28.738 0.132 0.000 1.658 265 Q HN 0.783 nan 8.270 nan 0.000 0.626 266 M N -1.478 118.170 119.600 0.079 0.000 2.605 266 M HA 0.193 4.673 4.480 0.000 0.000 0.281 266 M C -2.233 174.063 176.300 -0.007 0.000 1.166 266 M CA -1.116 54.199 55.300 0.025 0.000 0.875 266 M CB 1.671 34.291 32.600 0.034 0.000 1.732 266 M HN 0.113 nan 8.290 nan 0.000 0.504 267 P HA -0.115 nan 4.420 nan 0.000 0.215 267 P C -0.187 177.099 177.300 -0.022 0.000 1.157 267 P CA 1.625 64.700 63.100 -0.043 0.000 0.874 267 P CB -0.130 31.530 31.700 -0.067 0.000 0.790 268 D N -2.024 118.364 120.400 -0.019 0.000 2.348 268 D HA 0.143 4.783 4.640 0.000 0.000 0.248 268 D C 1.410 177.711 176.300 0.001 0.000 1.142 268 D CA 0.698 54.693 54.000 -0.010 0.000 0.904 268 D CB -1.003 39.790 40.800 -0.011 0.000 0.901 268 D HN 0.244 nan 8.370 nan 0.000 0.523 269 G N 0.333 109.137 108.800 0.006 0.000 2.435 269 G HA2 -0.369 3.591 3.960 0.000 0.000 0.245 269 G HA3 -0.369 3.591 3.960 0.000 0.000 0.245 269 G C 0.760 175.674 174.900 0.023 0.000 1.073 269 G CA 0.695 45.805 45.100 0.016 0.000 0.638 269 G HN 0.829 nan 8.290 nan 0.000 0.521 270 T N 0.932 115.499 114.554 0.021 0.000 2.932 270 T HA 0.528 4.878 4.350 0.000 0.000 0.312 270 T C 0.709 175.430 174.700 0.036 0.000 1.071 270 T CA -0.142 61.973 62.100 0.025 0.000 1.128 270 T CB 1.163 70.042 68.868 0.019 0.000 0.984 270 T HN 0.541 nan 8.240 nan 0.000 0.549 271 I N 1.782 122.371 120.570 0.032 0.000 2.577 271 I HA 0.467 4.637 4.170 0.000 0.000 0.300 271 I C 0.705 176.838 176.117 0.027 0.000 0.990 271 I CA -0.637 60.685 61.300 0.037 0.000 1.283 271 I CB 1.130 39.139 38.000 0.016 0.000 1.411 271 I HN 0.799 nan 8.210 nan 0.000 0.515 272 R N 1.950 122.482 120.500 0.053 0.000 2.561 272 R HA 0.572 4.912 4.340 0.000 0.000 0.297 272 R C 0.144 176.424 176.300 -0.034 0.000 0.969 272 R CA 0.245 56.372 56.100 0.046 0.000 0.879 272 R CB 1.705 32.105 30.300 0.166 0.000 1.178 272 R HN 0.956 nan 8.270 nan 0.000 0.445 273 G N 2.772 111.482 108.800 -0.149 0.000 2.525 273 G HA2 -0.289 3.671 3.960 0.000 0.000 0.248 273 G HA3 -0.289 3.671 3.960 0.000 0.000 0.248 273 G C -0.880 173.653 174.900 -0.612 0.000 1.238 273 G CA 0.058 45.003 45.100 -0.258 0.000 0.926 273 G HN 0.652 nan 8.290 nan 0.000 0.574 274 D N 1.898 122.125 120.400 -0.290 0.000 2.416 274 D HA 0.518 5.158 4.640 0.000 0.000 0.240 274 D C 1.616 177.881 176.300 -0.058 0.000 1.250 274 D CA 0.968 54.893 54.000 -0.125 0.000 0.967 274 D CB 0.410 41.444 40.800 0.391 0.000 1.059 274 D HN 0.965 nan 8.370 nan 0.000 0.512 275 A N 3.625 126.383 122.820 -0.103 0.000 2.131 275 A HA -0.112 4.208 4.320 0.000 0.000 0.220 275 A C 2.052 179.660 177.584 0.040 0.000 1.158 275 A CA 1.653 53.677 52.037 -0.022 0.000 0.665 275 A CB -0.162 18.827 19.000 -0.018 0.000 0.795 275 A HN 0.583 nan 8.150 nan 0.000 0.460 276 A N -0.471 122.395 122.820 0.077 0.000 2.016 276 A HA 0.032 4.352 4.320 0.000 0.000 0.217 276 A C 2.106 179.756 177.584 0.111 0.000 1.162 276 A CA 1.821 53.923 52.037 0.108 0.000 0.662 276 A CB -0.828 18.256 19.000 0.141 0.000 0.812 276 A HN 0.750 nan 8.150 nan 0.000 0.450 277 T N -2.422 112.192 114.554 0.101 0.000 3.188 277 T HA 0.302 4.652 4.350 0.000 0.000 0.250 277 T C 1.459 176.210 174.700 0.085 0.000 1.077 277 T CA 0.093 62.253 62.100 0.100 0.000 0.967 277 T CB -0.390 68.531 68.868 0.089 0.000 1.006 277 T HN 0.252 nan 8.240 nan 0.000 0.552 278 L N 0.393 121.654 121.223 0.064 0.000 2.021 278 L HA -0.188 4.152 4.340 0.000 0.000 0.215 278 L C 2.905 179.810 176.870 0.059 0.000 1.074 278 L CA 1.869 56.743 54.840 0.056 0.000 0.760 278 L CB -0.413 41.682 42.059 0.061 0.000 0.889 278 L HN 0.327 nan 8.230 nan 0.000 0.433 279 E N -0.414 119.825 120.200 0.066 0.000 2.007 279 E HA -0.265 4.085 4.350 0.000 0.000 0.194 279 E C 1.917 178.485 176.600 -0.053 0.000 0.999 279 E CA 1.571 57.984 56.400 0.021 0.000 0.811 279 E CB -0.347 29.391 29.700 0.063 0.000 0.762 279 E HN 0.337 nan 8.360 nan 0.000 0.450 280 F N 0.592 120.430 119.950 -0.187 0.000 2.202 280 F HA -0.217 4.310 4.527 0.000 0.000 0.301 280 F C 2.243 177.946 175.800 -0.163 0.000 1.082 280 F CA 1.597 59.440 58.000 -0.261 0.000 1.313 280 F CB -0.295 38.584 39.000 -0.200 0.000 1.024 280 F HN 0.018 nan 8.300 nan 0.000 0.495 281 T N -0.423 114.167 114.554 0.060 0.000 2.746 281 T HA -0.244 4.106 4.350 0.000 0.000 0.267 281 T C 1.760 176.473 174.700 0.021 0.000 1.039 281 T CA 1.582 63.698 62.100 0.026 0.000 1.142 281 T CB -0.249 68.637 68.868 0.031 0.000 0.866 281 T HN 0.242 nan 8.240 nan 0.000 0.444 282 Q N 0.749 120.553 119.800 0.006 0.000 2.061 282 Q HA -0.064 4.276 4.340 0.000 0.000 0.204 282 Q C 2.119 178.077 176.000 -0.069 0.000 0.984 282 Q CA 1.358 57.169 55.803 0.013 0.000 0.846 282 Q CB -0.878 27.862 28.738 0.003 0.000 0.902 282 Q HN 0.406 nan 8.270 nan 0.000 0.421 283 L N -0.220 120.876 121.223 -0.213 0.000 2.013 283 L HA -0.226 4.114 4.340 0.000 0.000 0.212 283 L C 2.283 179.000 176.870 -0.256 0.000 1.073 283 L CA 1.967 56.635 54.840 -0.288 0.000 0.753 283 L CB -1.073 40.670 42.059 -0.527 0.000 0.890 283 L HN 0.419 nan 8.230 nan 0.000 0.432 284 C N -0.645 118.448 119.300 -0.346 0.000 2.413 284 C HA -0.166 4.294 4.460 0.000 0.000 0.277 284 C C 2.745 177.779 174.990 0.074 0.000 1.265 284 C CA 0.909 59.791 59.018 -0.227 0.000 1.752 284 C CB -0.970 26.535 27.740 -0.392 0.000 1.998 284 C HN 0.581 nan 8.230 nan 0.000 0.489 285 I N 0.859 121.512 120.570 0.139 0.000 2.202 285 I HA -0.177 3.993 4.170 0.000 0.000 0.242 285 I C 2.106 178.262 176.117 0.065 0.000 1.091 285 I CA 1.524 62.923 61.300 0.166 0.000 1.368 285 I CB -0.579 37.510 38.000 0.148 0.000 1.058 285 I HN 0.321 nan 8.210 nan 0.000 0.410 286 D N 0.941 121.348 120.400 0.011 0.000 2.182 286 D HA -0.122 4.518 4.640 0.000 0.000 0.201 286 D C 1.862 178.154 176.300 -0.012 0.000 0.986 286 D CA 1.206 55.195 54.000 -0.017 0.000 0.847 286 D CB -0.160 40.610 40.800 -0.051 0.000 0.942 286 D HN 0.339 nan 8.370 nan 0.000 0.467 287 L N -0.073 121.143 121.223 -0.012 0.000 2.672 287 L HA 0.219 4.559 4.340 0.000 0.000 0.236 287 L C 0.925 177.794 176.870 -0.001 0.000 1.186 287 L CA -0.033 54.797 54.840 -0.016 0.000 0.977 287 L CB -0.492 41.528 42.059 -0.066 0.000 1.203 287 L HN 0.026 nan 8.230 nan 0.000 0.448 288 G N -0.106 108.709 108.800 0.026 0.000 2.289 288 G HA2 -0.291 3.669 3.960 0.000 0.000 0.280 288 G HA3 -0.291 3.669 3.960 0.000 0.000 0.280 288 G C -0.561 174.390 174.900 0.085 0.000 1.089 288 G CA -0.206 44.910 45.100 0.027 0.000 0.939 288 G HN 0.453 nan 8.290 nan 0.000 0.499 289 W N 0.816 122.071 121.300 -0.075 0.000 2.512 289 W HA 0.727 5.387 4.660 0.000 0.000 0.335 289 W C -0.030 176.455 176.519 -0.057 0.000 1.088 289 W CA -1.653 55.653 57.345 -0.066 0.000 1.236 289 W CB 1.016 30.442 29.460 -0.056 0.000 1.307 289 W HN -0.041 nan 8.180 nan 0.000 0.567 290 K N 6.883 126.806 120.400 -0.795 0.000 2.250 290 K HA 0.206 4.526 4.320 0.000 0.000 0.280 290 K C -2.354 173.475 176.600 -1.285 0.000 1.098 290 K CA -1.824 54.005 56.287 -0.764 0.000 0.916 290 K CB 0.648 32.861 32.500 -0.478 0.000 1.209 290 K HN 0.283 nan 8.250 nan 0.000 0.461 291 P HA 0.167 nan 4.420 nan 0.000 0.271 291 P C -0.237 176.432 177.300 -1.051 0.000 1.380 291 P CA -0.201 62.193 63.100 -1.176 0.000 0.992 291 P CB 0.252 31.319 31.700 -1.054 0.000 1.230 292 R N 2.422 122.494 120.500 -0.712 0.000 2.849 292 R HA 0.038 4.378 4.340 0.000 0.000 0.238 292 R C 0.015 176.141 176.300 -0.290 0.000 1.403 292 R CA -0.373 55.512 56.100 -0.358 0.000 1.303 292 R CB -1.048 29.159 30.300 -0.154 0.000 1.191 292 R HN 0.424 nan 8.270 nan 0.000 0.533 293 Y N -0.141 119.790 120.300 -0.616 0.000 3.044 293 Y HA -0.317 4.233 4.550 0.000 0.000 0.224 293 Y C 1.212 177.051 175.900 -0.101 0.000 1.029 293 Y CA 0.672 58.391 58.100 -0.635 0.000 0.762 293 Y CB -1.381 36.815 38.460 -0.441 0.000 1.056 293 Y HN 0.315 nan 8.280 nan 0.000 0.424 294 G N 0.205 109.170 108.800 0.275 0.000 3.140 294 G HA2 0.578 4.538 3.960 0.000 0.000 0.271 294 G HA3 0.578 4.538 3.960 0.000 0.000 0.271 294 G C 0.446 175.459 174.900 0.188 0.000 1.370 294 G CA -0.996 44.229 45.100 0.209 0.000 1.014 294 G HN 0.275 nan 8.290 nan 0.000 0.541 295 R N -1.485 118.984 120.500 -0.051 0.000 2.128 295 R HA 0.168 4.508 4.340 0.000 0.000 0.211 295 R C 0.027 175.992 176.300 -0.559 0.000 1.067 295 R CA 0.780 56.672 56.100 -0.346 0.000 1.010 295 R CB 0.080 29.986 30.300 -0.657 0.000 0.922 295 R HN 0.332 nan 8.270 nan 0.000 0.457 296 F N 1.205 121.089 119.950 -0.110 0.000 2.597 296 F HA 0.265 4.792 4.527 0.000 0.000 0.336 296 F C -0.888 174.830 175.800 -0.137 0.000 1.432 296 F CA -1.404 56.236 58.000 -0.600 0.000 1.120 296 F CB 0.508 38.990 39.000 -0.864 0.000 1.253 296 F HN -0.309 nan 8.300 nan 0.000 0.546 297 D N 1.459 122.015 120.400 0.260 0.000 2.365 297 D HA 0.179 4.819 4.640 0.000 0.000 0.237 297 D C 0.175 176.750 176.300 0.458 0.000 1.190 297 D CA 0.035 54.269 54.000 0.391 0.000 0.867 297 D CB 1.790 42.887 40.800 0.496 0.000 1.050 297 D HN -0.051 nan 8.370 nan 0.000 0.491 298 V N 4.204 124.370 119.914 0.420 0.000 2.434 298 V HA -0.055 4.065 4.120 0.000 0.000 0.281 298 V C 1.216 177.397 176.094 0.144 0.000 1.005 298 V CA -0.205 62.244 62.300 0.249 0.000 1.089 298 V CB -0.405 31.498 31.823 0.133 0.000 0.978 298 V HN 0.372 nan 8.190 nan 0.000 0.474 299 L N 8.344 129.558 121.223 -0.013 0.000 2.503 299 L HA 0.167 4.507 4.340 0.000 0.000 0.287 299 L C -1.614 175.099 176.870 -0.262 0.000 1.252 299 L CA -0.894 53.788 54.840 -0.265 0.000 0.835 299 L CB 0.176 42.131 42.059 -0.173 0.000 1.099 299 L HN 0.471 nan 8.230 nan 0.000 0.516 300 P HA 0.177 nan 4.420 nan 0.000 0.286 300 P C -0.975 176.291 177.300 -0.057 0.000 1.261 300 P CA -0.539 62.388 63.100 -0.288 0.000 0.821 300 P CB 1.030 32.358 31.700 -0.620 0.000 1.013 301 L N 2.848 124.113 121.223 0.070 0.000 2.433 301 L HA 0.129 4.469 4.340 0.000 0.000 0.275 301 L C 0.306 177.283 176.870 0.179 0.000 1.128 301 L CA -0.448 54.482 54.840 0.151 0.000 0.875 301 L CB 0.575 42.769 42.059 0.225 0.000 1.171 301 L HN 0.136 nan 8.230 nan 0.000 0.463 302 V N 6.487 126.516 119.914 0.192 0.000 2.284 302 V HA 0.248 4.368 4.120 0.000 0.000 0.260 302 V C 0.377 176.490 176.094 0.031 0.000 1.084 302 V CA -0.296 62.052 62.300 0.081 0.000 0.894 302 V CB 0.517 32.400 31.823 0.100 0.000 1.119 302 V HN 0.492 nan 8.190 nan 0.000 0.484 303 L N 4.367 125.608 121.223 0.031 0.000 2.325 303 L HA 0.646 4.986 4.340 0.000 0.000 0.279 303 L C -0.032 176.723 176.870 -0.190 0.000 1.054 303 L CA -0.340 54.487 54.840 -0.021 0.000 0.804 303 L CB 1.359 43.435 42.059 0.027 0.000 1.200 303 L HN 0.579 nan 8.230 nan 0.000 0.436 304 Q N 2.493 122.178 119.800 -0.191 0.000 2.321 304 Q HA 0.744 5.084 4.340 0.000 0.000 0.270 304 Q C -1.736 174.116 176.000 -0.246 0.000 1.032 304 Q CA -0.640 55.012 55.803 -0.250 0.000 0.784 304 Q CB 2.363 30.998 28.738 -0.171 0.000 1.264 304 Q HN 0.806 nan 8.270 nan 0.000 0.448 305 A N 3.489 126.083 122.820 -0.377 0.000 2.371 305 A HA 0.490 4.810 4.320 0.000 0.000 0.311 305 A C -0.577 176.466 177.584 -0.902 0.000 1.068 305 A CA -0.192 51.362 52.037 -0.804 0.000 0.744 305 A CB 1.285 19.958 19.000 -0.544 0.000 1.239 305 A HN 1.017 nan 8.150 nan 0.000 0.435 306 D N 1.514 120.974 120.400 -1.566 0.000 2.735 306 D HA -0.069 4.571 4.640 0.000 0.000 0.235 306 D C 1.288 177.431 176.300 -0.262 0.000 1.175 306 D CA 2.536 56.126 54.000 -0.683 0.000 0.683 306 D CB -1.024 39.519 40.800 -0.428 0.000 1.008 306 D HN 2.175 nan 8.370 nan 0.000 0.416 307 G N -0.236 108.480 108.800 -0.139 0.000 2.216 307 G HA2 -0.445 3.515 3.960 0.000 0.000 0.269 307 G HA3 -0.445 3.515 3.960 0.000 0.000 0.269 307 G C 0.665 175.572 174.900 0.012 0.000 0.981 307 G CA 1.266 46.388 45.100 0.036 0.000 0.658 307 G HN 0.642 nan 8.290 nan 0.000 0.539 308 Q N 0.167 119.901 119.800 -0.110 0.000 2.577 308 Q HA 0.487 4.827 4.340 0.000 0.000 0.183 308 Q C 0.479 176.418 176.000 -0.103 0.000 1.167 308 Q CA 0.376 56.111 55.803 -0.114 0.000 1.234 308 Q CB 0.168 28.804 28.738 -0.170 0.000 1.569 308 Q HN 0.361 nan 8.270 nan 0.000 0.656 309 D N 0.193 120.483 120.400 -0.183 0.000 2.217 309 D HA 0.320 4.960 4.640 0.000 0.000 0.248 309 D C -2.425 173.609 176.300 -0.444 0.000 1.008 309 D CA -1.538 52.266 54.000 -0.326 0.000 0.914 309 D CB 0.858 41.498 40.800 -0.266 0.000 1.182 309 D HN 0.213 nan 8.370 nan 0.000 0.451 310 P HA 0.122 nan 4.420 nan 0.000 0.276 310 P C -0.918 176.107 177.300 -0.460 0.000 1.253 310 P CA -0.072 62.563 63.100 -0.776 0.000 0.766 310 P CB 0.677 31.490 31.700 -1.479 0.000 0.845 311 E N 1.611 121.634 120.200 -0.296 0.000 2.191 311 E HA 0.390 4.740 4.350 0.000 0.000 0.274 311 E C -0.460 175.954 176.600 -0.310 0.000 0.948 311 E CA -1.166 55.057 56.400 -0.295 0.000 0.802 311 E CB 1.823 31.370 29.700 -0.255 0.000 1.137 311 E HN 0.196 nan 8.360 nan 0.000 0.397 312 V N 3.622 123.255 119.914 -0.468 0.000 2.481 312 V HA 0.422 4.543 4.120 0.000 0.000 0.286 312 V C -0.668 175.041 176.094 -0.641 0.000 1.042 312 V CA -0.417 61.674 62.300 -0.348 0.000 0.928 312 V CB 0.237 31.931 31.823 -0.215 0.000 0.986 312 V HN 0.517 nan 8.190 nan 0.000 0.462 313 F N 1.378 121.173 119.950 -0.258 0.000 2.561 313 F HA 0.464 4.991 4.527 0.000 0.000 0.313 313 F C 0.275 175.935 175.800 -0.233 0.000 1.126 313 F CA -0.798 56.932 58.000 -0.449 0.000 0.918 313 F CB 1.647 39.963 39.000 -1.140 0.000 1.199 313 F HN 0.395 nan 8.300 nan 0.000 0.444 314 E N 3.407 123.638 120.200 0.053 0.000 2.313 314 E HA 0.348 4.698 4.350 0.000 0.000 0.276 314 E C -0.407 176.342 176.600 0.249 0.000 1.031 314 E CA -0.473 56.031 56.400 0.175 0.000 0.857 314 E CB 1.491 31.328 29.700 0.228 0.000 1.040 314 E HN 0.452 nan 8.360 nan 0.000 0.408 315 I N 4.630 125.348 120.570 0.246 0.000 2.533 315 I HA 0.068 4.238 4.170 0.000 0.000 0.284 315 I C -2.013 174.232 176.117 0.213 0.000 1.109 315 I CA -1.952 59.507 61.300 0.264 0.000 1.412 315 I CB 0.069 38.151 38.000 0.136 0.000 1.396 315 I HN 0.175 nan 8.210 nan 0.000 0.543 316 P HA 0.052 nan 4.420 nan 0.000 0.260 316 P C -1.985 175.379 177.300 0.107 0.000 1.207 316 P CA -0.766 62.428 63.100 0.155 0.000 0.780 316 P CB 0.127 31.904 31.700 0.127 0.000 0.789 317 P HA -0.234 nan 4.420 nan 0.000 0.217 317 P C 0.885 178.226 177.300 0.067 0.000 1.151 317 P CA 1.443 64.597 63.100 0.091 0.000 0.849 317 P CB -0.039 31.717 31.700 0.092 0.000 0.787 318 D N -1.290 119.145 120.400 0.058 0.000 2.309 318 D HA -0.080 4.560 4.640 0.000 0.000 0.212 318 D C 1.797 178.116 176.300 0.032 0.000 0.968 318 D CA 0.890 54.914 54.000 0.041 0.000 0.882 318 D CB -0.130 40.691 40.800 0.034 0.000 0.918 318 D HN 0.276 nan 8.370 nan 0.000 0.503 319 L N 0.237 121.481 121.223 0.035 0.000 2.249 319 L HA 0.024 4.364 4.340 0.000 0.000 0.207 319 L C 0.755 177.640 176.870 0.025 0.000 1.090 319 L CA 0.219 55.073 54.840 0.022 0.000 0.802 319 L CB 0.398 42.464 42.059 0.011 0.000 0.947 319 L HN -0.224 nan 8.230 nan 0.000 0.453 320 V N 2.694 122.627 119.914 0.033 0.000 2.352 320 V HA 0.066 4.186 4.120 0.000 0.000 0.253 320 V C 0.116 176.237 176.094 0.045 0.000 1.083 320 V CA -0.351 61.967 62.300 0.029 0.000 0.993 320 V CB 0.599 32.438 31.823 0.028 0.000 1.111 320 V HN 0.069 nan 8.190 nan 0.000 0.490 321 L N 5.781 127.031 121.223 0.045 0.000 2.349 321 L HA 0.515 4.855 4.340 0.000 0.000 0.275 321 L C 0.050 176.947 176.870 0.045 0.000 1.115 321 L CA 0.603 55.464 54.840 0.034 0.000 0.820 321 L CB 0.735 42.809 42.059 0.025 0.000 1.135 321 L HN 0.667 nan 8.230 nan 0.000 0.445 322 E N 3.051 123.257 120.200 0.010 0.000 2.343 322 E HA 0.596 4.946 4.350 0.000 0.000 0.270 322 E C -1.480 175.050 176.600 -0.116 0.000 0.895 322 E CA -1.008 55.385 56.400 -0.011 0.000 0.767 322 E CB 2.413 32.136 29.700 0.038 0.000 1.248 322 E HN 0.419 nan 8.360 nan 0.000 0.440 323 V N 1.469 121.257 119.914 -0.210 0.000 2.483 323 V HA 0.329 4.449 4.120 0.000 0.000 0.295 323 V C -0.273 175.737 176.094 -0.139 0.000 1.035 323 V CA -0.692 61.426 62.300 -0.304 0.000 0.896 323 V CB 1.894 33.262 31.823 -0.759 0.000 0.986 323 V HN 0.711 nan 8.190 nan 0.000 0.447 324 T N 6.016 120.514 114.554 -0.093 0.000 2.743 324 T HA 0.382 4.732 4.350 0.000 0.000 0.293 324 T C 0.134 174.858 174.700 0.040 0.000 0.945 324 T CA -0.574 61.516 62.100 -0.018 0.000 1.030 324 T CB 0.522 69.387 68.868 -0.005 0.000 0.912 324 T HN 0.352 nan 8.240 nan 0.000 0.483 325 M N 3.453 123.125 119.600 0.119 0.000 2.252 325 M HA 0.245 4.725 4.480 0.000 0.000 0.348 325 M C 0.454 176.921 176.300 0.278 0.000 1.334 325 M CA 0.344 55.786 55.300 0.237 0.000 1.071 325 M CB -0.603 32.205 32.600 0.346 0.000 1.763 325 M HN 0.701 nan 8.290 nan 0.000 0.452 326 E N 1.837 122.179 120.200 0.238 0.000 2.343 326 E HA 0.151 4.501 4.350 0.000 0.000 0.288 326 E C -1.493 175.142 176.600 0.057 0.000 0.907 326 E CA -0.425 56.101 56.400 0.210 0.000 0.792 326 E CB 1.367 31.149 29.700 0.136 0.000 1.275 326 E HN 0.697 nan 8.360 nan 0.000 0.402 327 H N 5.750 124.677 119.070 -0.237 0.000 2.548 327 H HA 0.216 4.772 4.556 0.000 0.000 0.331 327 H C -1.748 173.302 175.328 -0.463 0.000 1.093 327 H CA -1.709 53.998 56.048 -0.568 0.000 1.367 327 H CB 1.778 31.018 29.762 -0.870 0.000 1.455 327 H HN 0.409 nan 8.280 nan 0.000 0.519 328 P HA -0.044 nan 4.420 nan 0.000 0.239 328 P C 0.347 177.439 177.300 -0.347 0.000 1.184 328 P CA 0.800 63.359 63.100 -0.901 0.000 0.760 328 P CB 0.655 31.608 31.700 -1.245 0.000 0.884 329 K N -1.429 118.947 120.400 -0.040 0.000 2.567 329 K HA 0.141 4.461 4.320 0.000 0.000 0.199 329 K C 0.735 177.469 176.600 0.223 0.000 1.412 329 K CA 0.284 56.625 56.287 0.089 0.000 1.020 329 K CB 0.157 32.708 32.500 0.086 0.000 1.487 329 K HN 0.265 nan 8.250 nan 0.000 0.531 330 Y N 2.951 123.191 120.300 -0.099 0.000 2.556 330 Y HA 0.182 4.732 4.550 0.000 0.000 0.352 330 Y C 1.199 176.871 175.900 -0.379 0.000 1.006 330 Y CA -0.498 57.313 58.100 -0.481 0.000 1.277 330 Y CB 0.625 38.333 38.460 -1.253 0.000 1.136 330 Y HN 0.022 nan 8.280 nan 0.000 0.523 331 E N 3.771 123.981 120.200 0.017 0.000 2.338 331 E HA -0.163 4.187 4.350 0.000 0.000 0.197 331 E C 1.298 177.969 176.600 0.118 0.000 1.007 331 E CA 0.734 57.179 56.400 0.074 0.000 0.849 331 E CB 0.030 29.799 29.700 0.115 0.000 0.774 331 E HN 0.842 nan 8.360 nan 0.000 0.506 332 W N -0.609 120.795 121.300 0.174 0.000 3.180 332 W HA 0.037 4.697 4.660 0.000 0.000 0.254 332 W C 1.133 177.734 176.519 0.136 0.000 1.318 332 W CA -0.343 57.069 57.345 0.112 0.000 1.608 332 W CB -0.779 28.708 29.460 0.046 0.000 1.124 332 W HN -0.069 nan 8.180 nan 0.000 0.694 333 F N 3.565 123.337 119.950 -0.297 0.000 2.113 333 F HA -0.257 4.270 4.527 0.000 0.000 0.297 333 F C 2.927 178.731 175.800 0.007 0.000 1.103 333 F CA 2.898 60.762 58.000 -0.226 0.000 1.248 333 F CB -0.373 38.445 39.000 -0.303 0.000 0.999 333 F HN -0.140 nan 8.300 nan 0.000 0.475 334 Q N 0.179 120.084 119.800 0.175 0.000 2.234 334 Q HA -0.236 4.104 4.340 0.000 0.000 0.206 334 Q C 1.522 177.569 176.000 0.078 0.000 0.980 334 Q CA 1.706 57.584 55.803 0.125 0.000 0.869 334 Q CB -1.105 27.705 28.738 0.121 0.000 0.912 334 Q HN 0.556 nan 8.270 nan 0.000 0.436 335 E N 0.772 121.032 120.200 0.101 0.000 2.472 335 E HA -0.029 4.321 4.350 0.000 0.000 0.200 335 E C 1.748 178.381 176.600 0.054 0.000 1.046 335 E CA 0.291 56.750 56.400 0.097 0.000 0.871 335 E CB -0.083 29.707 29.700 0.151 0.000 0.806 335 E HN 0.381 nan 8.360 nan 0.000 0.533 336 L N -0.508 120.706 121.223 -0.014 0.000 2.492 336 L HA 0.086 4.426 4.340 0.000 0.000 0.223 336 L C 1.485 178.343 176.870 -0.020 0.000 1.132 336 L CA 0.317 55.108 54.840 -0.081 0.000 0.850 336 L CB -0.153 41.711 42.059 -0.325 0.000 0.966 336 L HN 0.214 nan 8.230 nan 0.000 0.454 337 G N 1.158 109.973 108.800 0.025 0.000 2.258 337 G HA2 -0.294 3.666 3.960 0.000 0.000 0.274 337 G HA3 -0.294 3.666 3.960 0.000 0.000 0.274 337 G C 0.171 175.182 174.900 0.184 0.000 1.021 337 G CA 0.161 45.320 45.100 0.098 0.000 0.798 337 G HN 0.252 nan 8.290 nan 0.000 0.507 338 L N -0.758 120.520 121.223 0.091 0.000 2.421 338 L HA 0.771 5.111 4.340 0.000 0.000 0.263 338 L C 0.688 177.552 176.870 -0.009 0.000 1.122 338 L CA -0.217 54.679 54.840 0.094 0.000 0.804 338 L CB 1.450 43.401 42.059 -0.180 0.000 1.150 338 L HN 0.539 nan 8.230 nan 0.000 0.457 339 K N 0.391 120.648 120.400 -0.238 0.000 2.642 339 K HA 0.421 4.741 4.320 0.000 0.000 0.290 339 K C -2.135 174.372 176.600 -0.155 0.000 1.006 339 K CA -1.069 55.101 56.287 -0.194 0.000 0.869 339 K CB 1.668 34.001 32.500 -0.278 0.000 1.499 339 K HN 0.566 nan 8.250 nan 0.000 0.403 340 W N 2.412 123.613 121.300 -0.165 0.000 3.167 340 W HA 0.368 5.028 4.660 0.000 0.000 0.324 340 W C -1.204 175.271 176.519 -0.073 0.000 1.230 340 W CA -0.854 56.413 57.345 -0.129 0.000 1.184 340 W CB 1.683 30.958 29.460 -0.307 0.000 1.414 340 W HN 0.707 nan 8.180 nan 0.000 0.551 341 Y N 1.035 121.108 120.300 -0.378 0.000 2.336 341 Y HA 0.506 5.056 4.550 0.000 0.000 0.331 341 Y C 0.772 176.824 175.900 0.253 0.000 1.211 341 Y CA 0.141 58.157 58.100 -0.140 0.000 1.346 341 Y CB 0.330 38.584 38.460 -0.344 0.000 1.271 341 Y HN 0.348 nan 8.280 nan 0.000 0.538 342 A N 2.623 125.680 122.820 0.396 0.000 2.169 342 A HA 0.120 4.441 4.320 0.000 0.000 0.212 342 A C 0.330 178.263 177.584 0.582 0.000 1.153 342 A CA 0.098 52.466 52.037 0.552 0.000 0.756 342 A CB -0.234 18.937 19.000 0.285 0.000 0.813 342 A HN 0.648 nan 8.150 nan 0.000 0.471 343 L N 1.938 123.447 121.223 0.477 0.000 2.262 343 L HA 0.412 4.752 4.340 0.000 0.000 0.288 343 L C -2.526 174.455 176.870 0.185 0.000 1.035 343 L CA -2.063 52.940 54.840 0.273 0.000 0.820 343 L CB 1.579 43.727 42.059 0.149 0.000 1.204 343 L HN -0.033 nan 8.230 nan 0.000 0.424 344 P HA 0.387 nan 4.420 nan 0.000 0.266 344 P C -1.517 175.687 177.300 -0.161 0.000 1.567 344 P CA -0.383 62.530 63.100 -0.312 0.000 1.077 344 P CB 1.349 32.508 31.700 -0.901 0.000 1.396 345 A N 4.203 126.950 122.820 -0.122 0.000 2.332 345 A HA 0.476 4.796 4.320 0.000 0.000 0.300 345 A C -0.299 177.120 177.584 -0.275 0.000 1.153 345 A CA -0.700 51.236 52.037 -0.169 0.000 0.764 345 A CB 1.159 20.063 19.000 -0.161 0.000 1.174 345 A HN 0.277 nan 8.150 nan 0.000 0.467 346 V N 2.689 122.355 119.914 -0.414 0.000 2.470 346 V HA 0.350 4.470 4.120 0.000 0.000 0.276 346 V C 1.267 176.892 176.094 -0.783 0.000 1.040 346 V CA 0.890 62.847 62.300 -0.573 0.000 1.008 346 V CB 0.866 32.320 31.823 -0.616 0.000 0.990 346 V HN 1.090 nan 8.190 nan 0.000 0.477 347 A N 4.586 127.123 122.820 -0.471 0.000 2.035 347 A HA 0.076 4.396 4.320 0.000 0.000 0.208 347 A C 1.409 178.842 177.584 -0.251 0.000 1.206 347 A CA 0.555 52.379 52.037 -0.355 0.000 0.773 347 A CB -0.119 18.753 19.000 -0.214 0.000 0.878 347 A HN 0.840 nan 8.150 nan 0.000 0.469 348 N N -0.107 118.467 118.700 -0.209 0.000 2.327 348 N HA 0.215 4.955 4.740 0.000 0.000 0.231 348 N C -0.231 175.226 175.510 -0.088 0.000 1.130 348 N CA -0.036 52.955 53.050 -0.098 0.000 0.845 348 N CB -0.314 38.150 38.487 -0.038 0.000 1.073 348 N HN 0.375 nan 8.380 nan 0.000 0.496 349 M N 0.377 119.882 119.600 -0.158 0.000 2.478 349 M HA 0.346 4.826 4.480 0.000 0.000 0.327 349 M C -0.431 175.937 176.300 0.114 0.000 1.187 349 M CA -0.928 54.349 55.300 -0.038 0.000 1.022 349 M CB 2.435 34.986 32.600 -0.082 0.000 1.629 349 M HN 0.089 nan 8.290 nan 0.000 0.461 350 L N 3.304 124.658 121.223 0.220 0.000 2.307 350 L HA 0.504 4.844 4.340 0.000 0.000 0.282 350 L C -1.255 175.852 176.870 0.395 0.000 1.051 350 L CA -0.930 54.080 54.840 0.283 0.000 0.804 350 L CB 1.091 43.290 42.059 0.233 0.000 1.197 350 L HN 0.597 nan 8.230 nan 0.000 0.431 351 L N 5.271 126.727 121.223 0.388 0.000 2.264 351 L HA 0.441 4.781 4.340 0.000 0.000 0.289 351 L C -0.446 176.616 176.870 0.320 0.000 1.044 351 L CA 0.246 55.264 54.840 0.295 0.000 0.807 351 L CB 1.160 43.314 42.059 0.158 0.000 1.192 351 L HN 0.627 nan 8.230 nan 0.000 0.425 352 E N 5.049 125.392 120.200 0.239 0.000 2.151 352 E HA 0.525 4.875 4.350 0.000 0.000 0.275 352 E C -1.939 174.704 176.600 0.071 0.000 0.936 352 E CA -0.396 56.124 56.400 0.201 0.000 0.777 352 E CB 1.867 31.728 29.700 0.269 0.000 1.108 352 E HN 0.551 nan 8.360 nan 0.000 0.401 353 V N 2.958 122.885 119.914 0.021 0.000 2.891 353 V HA 0.498 4.618 4.120 0.000 0.000 0.304 353 V C 0.379 176.363 176.094 -0.184 0.000 1.171 353 V CA 0.414 62.580 62.300 -0.224 0.000 0.943 353 V CB 1.602 33.174 31.823 -0.418 0.000 1.037 353 V HN 0.876 nan 8.190 nan 0.000 0.427 354 G N 4.072 112.752 108.800 -0.200 0.000 2.416 354 G HA2 0.030 3.990 3.960 0.000 0.000 0.301 354 G HA3 0.030 3.990 3.960 0.000 0.000 0.301 354 G C 1.572 176.653 174.900 0.302 0.000 0.985 354 G CA 1.455 46.691 45.100 0.227 0.000 0.934 354 G HN 2.751 nan 8.290 nan 0.000 0.513 355 G N -2.205 106.696 108.800 0.169 0.000 2.184 355 G HA2 -0.269 3.691 3.960 0.000 0.000 0.264 355 G HA3 -0.269 3.691 3.960 0.000 0.000 0.264 355 G C 0.476 175.448 174.900 0.119 0.000 0.975 355 G CA 0.718 45.934 45.100 0.193 0.000 0.642 355 G HN 1.279 nan 8.290 nan 0.000 0.536 356 L N 0.165 121.430 121.223 0.069 0.000 2.379 356 L HA 0.696 5.036 4.340 0.000 0.000 0.269 356 L C 0.386 177.189 176.870 -0.111 0.000 1.084 356 L CA -0.740 54.052 54.840 -0.080 0.000 0.802 356 L CB 1.218 43.148 42.059 -0.215 0.000 1.175 356 L HN 0.171 nan 8.230 nan 0.000 0.448 357 E N 1.480 121.541 120.200 -0.232 0.000 2.238 357 E HA 0.478 4.828 4.350 0.000 0.000 0.267 357 E C -1.632 174.799 176.600 -0.282 0.000 0.887 357 E CA -0.523 55.809 56.400 -0.112 0.000 0.769 357 E CB 2.331 32.004 29.700 -0.045 0.000 1.187 357 E HN 0.267 nan 8.360 nan 0.000 0.416 358 F N 2.140 122.124 119.950 0.055 0.000 2.552 358 F HA 0.296 4.823 4.527 0.000 0.000 0.369 358 F C -1.944 173.924 175.800 0.113 0.000 1.112 358 F CA -2.041 56.003 58.000 0.073 0.000 1.129 358 F CB 1.542 40.576 39.000 0.056 0.000 1.360 358 F HN 0.324 nan 8.300 nan 0.000 0.473 359 P HA -0.088 nan 4.420 nan 0.000 0.223 359 P C -0.108 177.331 177.300 0.230 0.000 1.144 359 P CA 0.872 64.099 63.100 0.211 0.000 0.783 359 P CB 0.427 32.240 31.700 0.189 0.000 0.771 360 A N -0.298 122.697 122.820 0.292 0.000 2.385 360 A HA 0.581 4.901 4.320 0.000 0.000 0.290 360 A C -0.512 177.236 177.584 0.274 0.000 1.094 360 A CA -0.426 51.790 52.037 0.298 0.000 0.729 360 A CB 0.552 19.795 19.000 0.406 0.000 1.194 360 A HN 0.229 nan 8.150 nan 0.000 0.442 361 C N 0.845 120.215 119.300 0.117 0.000 2.993 361 C HA 0.469 4.929 4.460 0.000 0.000 0.298 361 C C -2.945 171.959 174.990 -0.144 0.000 0.906 361 C CA -1.372 57.640 59.018 -0.011 0.000 1.090 361 C CB -0.441 27.328 27.740 0.048 0.000 1.656 361 C HN 0.587 nan 8.230 nan 0.000 0.648 362 P HA 0.435 nan 4.420 nan 0.000 0.269 362 P C -0.576 176.510 177.300 -0.356 0.000 1.209 362 P CA 0.762 63.588 63.100 -0.457 0.000 0.776 362 P CB 0.672 32.129 31.700 -0.406 0.000 0.876 363 F N -0.664 119.112 119.950 -0.291 0.000 2.650 363 F HA 0.700 5.227 4.527 0.000 0.000 0.320 363 F C -0.674 174.985 175.800 -0.235 0.000 1.091 363 F CA -1.331 56.519 58.000 -0.249 0.000 0.962 363 F CB 1.413 40.124 39.000 -0.482 0.000 1.363 363 F HN 0.397 nan 8.300 nan 0.000 0.482 364 N N -0.470 118.313 118.700 0.137 0.000 2.484 364 N HA 0.626 5.366 4.740 0.000 0.000 0.269 364 N C -1.266 174.153 175.510 -0.152 0.000 1.237 364 N CA -0.400 52.660 53.050 0.017 0.000 0.838 364 N CB 1.966 40.521 38.487 0.113 0.000 1.593 364 N HN 1.077 nan 8.380 nan 0.000 0.485 365 G N -0.329 108.344 108.800 -0.212 0.000 3.302 365 G HA2 0.706 4.666 3.960 0.000 0.000 0.170 365 G HA3 0.706 4.666 3.960 0.000 0.000 0.170 365 G C -1.636 173.200 174.900 -0.106 0.000 1.119 365 G CA -0.642 44.248 45.100 -0.350 0.000 0.826 365 G HN 0.708 nan 8.290 nan 0.000 0.646 366 W N -1.732 119.543 121.300 -0.043 0.000 2.962 366 W HA 0.799 5.459 4.660 0.000 0.000 0.341 366 W C -1.502 174.990 176.519 -0.045 0.000 1.155 366 W CA -2.325 55.010 57.345 -0.016 0.000 1.165 366 W CB 0.294 29.781 29.460 0.046 0.000 1.435 366 W HN 0.423 nan 8.180 nan 0.000 0.546 367 Y N 2.354 122.819 120.300 0.276 0.000 2.426 367 Y HA 0.231 4.781 4.550 0.000 0.000 0.344 367 Y C 0.765 176.697 175.900 0.053 0.000 1.256 367 Y CA -0.251 57.879 58.100 0.050 0.000 1.451 367 Y CB 0.873 39.230 38.460 -0.173 0.000 1.342 367 Y HN 0.464 nan 8.280 nan 0.000 0.600 368 M N 2.184 121.914 119.600 0.215 0.000 2.085 368 M HA 0.328 4.808 4.480 0.000 0.000 0.309 368 M C 1.008 177.264 176.300 -0.073 0.000 0.947 368 M CA -0.229 55.116 55.300 0.076 0.000 0.918 368 M CB 1.118 33.751 32.600 0.055 0.000 1.504 368 M HN 0.857 nan 8.290 nan 0.000 0.420 369 G N 2.211 110.921 108.800 -0.151 0.000 2.805 369 G HA2 -0.424 3.536 3.960 0.000 0.000 0.227 369 G HA3 -0.424 3.536 3.960 0.000 0.000 0.227 369 G C 1.135 175.859 174.900 -0.293 0.000 1.143 369 G CA 2.328 47.277 45.100 -0.252 0.000 0.759 369 G HN 0.866 nan 8.290 nan 0.000 0.634 370 T N -1.065 113.318 114.554 -0.285 0.000 2.849 370 T HA -0.106 4.244 4.350 0.000 0.000 0.270 370 T C 1.985 176.495 174.700 -0.316 0.000 1.066 370 T CA 1.917 63.803 62.100 -0.356 0.000 1.130 370 T CB -0.154 68.416 68.868 -0.496 0.000 0.864 370 T HN 0.409 nan 8.240 nan 0.000 0.481 371 E N 1.418 121.454 120.200 -0.273 0.000 2.051 371 E HA -0.041 4.309 4.350 0.000 0.000 0.192 371 E C 1.877 178.196 176.600 -0.468 0.000 0.991 371 E CA 1.283 57.538 56.400 -0.242 0.000 0.799 371 E CB -0.506 29.191 29.700 -0.005 0.000 0.748 371 E HN 0.720 nan 8.360 nan 0.000 0.449 372 I N -0.643 119.493 120.570 -0.723 0.000 2.270 372 I HA 0.004 4.174 4.170 0.000 0.000 0.239 372 I C 2.433 177.986 176.117 -0.940 0.000 1.080 372 I CA 0.907 61.494 61.300 -1.190 0.000 1.383 372 I CB -0.736 36.454 38.000 -1.350 0.000 1.097 372 I HN 0.242 nan 8.210 nan 0.000 0.420 373 G N 0.651 109.146 108.800 -0.508 0.000 2.442 373 G HA2 -0.166 3.794 3.960 0.000 0.000 0.219 373 G HA3 -0.166 3.794 3.960 0.000 0.000 0.219 373 G C 1.566 176.418 174.900 -0.081 0.000 1.141 373 G CA 1.432 46.451 45.100 -0.135 0.000 0.763 373 G HN 0.271 nan 8.290 nan 0.000 0.554 374 V N -0.091 119.708 119.914 -0.192 0.000 2.521 374 V HA 0.111 4.231 4.120 0.000 0.000 0.239 374 V C 2.723 178.738 176.094 -0.132 0.000 1.053 374 V CA 0.778 62.995 62.300 -0.138 0.000 1.073 374 V CB -0.297 31.414 31.823 -0.186 0.000 0.746 374 V HN 0.083 nan 8.190 nan 0.000 0.476 375 R N 1.102 121.481 120.500 -0.201 0.000 2.065 375 R HA -0.039 4.301 4.340 0.000 0.000 0.224 375 R C 2.023 178.240 176.300 -0.139 0.000 1.161 375 R CA 1.648 57.653 56.100 -0.159 0.000 0.923 375 R CB -1.307 28.890 30.300 -0.171 0.000 0.822 375 R HN 0.449 nan 8.270 nan 0.000 0.437 376 D N 0.632 120.844 120.400 -0.314 0.000 2.126 376 D HA -0.173 4.467 4.640 0.000 0.000 0.190 376 D C 1.938 178.183 176.300 -0.091 0.000 1.001 376 D CA 1.313 55.078 54.000 -0.391 0.000 0.841 376 D CB -0.327 39.687 40.800 -1.310 0.000 0.949 376 D HN 0.098 nan 8.370 nan 0.000 0.446 377 F N 0.218 120.046 119.950 -0.202 0.000 2.293 377 F HA 0.002 4.529 4.527 0.000 0.000 0.297 377 F C 2.472 178.317 175.800 0.074 0.000 1.089 377 F CA -0.144 57.844 58.000 -0.020 0.000 1.377 377 F CB -0.649 38.317 39.000 -0.056 0.000 1.051 377 F HN 0.067 nan 8.300 nan 0.000 0.511 378 C N -1.378 118.046 119.300 0.208 0.000 2.700 378 C HA 0.146 4.607 4.460 0.000 0.000 0.297 378 C C 0.422 175.473 174.990 0.103 0.000 1.293 378 C CA -0.609 58.496 59.018 0.145 0.000 1.756 378 C CB -0.574 27.220 27.740 0.090 0.000 2.210 378 C HN 0.110 nan 8.230 nan 0.000 0.553 379 D N 1.955 122.400 120.400 0.075 0.000 2.525 379 D HA 0.022 4.662 4.640 0.000 0.000 0.235 379 D C 1.413 177.761 176.300 0.080 0.000 1.137 379 D CA 0.630 54.663 54.000 0.056 0.000 0.868 379 D CB 0.622 41.447 40.800 0.041 0.000 1.180 379 D HN 0.445 nan 8.370 nan 0.000 0.465 380 T N -0.817 113.774 114.554 0.062 0.000 3.155 380 T HA -0.184 4.166 4.350 0.000 0.000 0.264 380 T C 1.053 175.789 174.700 0.061 0.000 1.160 380 T CA 0.513 62.653 62.100 0.066 0.000 1.075 380 T CB -0.019 68.883 68.868 0.056 0.000 0.921 380 T HN 0.475 nan 8.240 nan 0.000 0.533 381 Q N -0.019 119.819 119.800 0.063 0.000 2.157 381 Q HA 0.337 4.677 4.340 0.000 0.000 0.229 381 Q C 0.306 176.348 176.000 0.071 0.000 0.827 381 Q CA -0.522 55.316 55.803 0.060 0.000 1.055 381 Q CB 0.470 29.243 28.738 0.058 0.000 1.157 381 Q HN 0.282 nan 8.270 nan 0.000 0.482 382 R N -0.649 119.904 120.500 0.088 0.000 2.956 382 R HA 0.297 4.637 4.340 0.000 0.000 0.106 382 R C 0.948 177.289 176.300 0.068 0.000 0.710 382 R CA -0.465 55.710 56.100 0.125 0.000 0.468 382 R CB -0.942 29.496 30.300 0.229 0.000 0.593 382 R HN 0.023 nan 8.270 nan 0.000 0.339 383 Y N 1.858 122.301 120.300 0.239 0.000 2.421 383 Y HA -0.061 4.489 4.550 0.000 0.000 0.292 383 Y C 0.680 176.688 175.900 0.180 0.000 1.136 383 Y CA 0.947 59.202 58.100 0.260 0.000 1.255 383 Y CB -0.246 38.478 38.460 0.440 0.000 0.991 383 Y HN 0.467 nan 8.280 nan 0.000 0.552 384 N N 1.073 119.929 118.700 0.260 0.000 2.666 384 N HA -0.231 4.509 4.740 0.000 0.000 0.274 384 N C 0.268 175.882 175.510 0.175 0.000 1.043 384 N CA 0.876 54.034 53.050 0.180 0.000 0.782 384 N CB -1.163 37.396 38.487 0.120 0.000 0.912 384 N HN 0.685 nan 8.380 nan 0.000 0.556 385 I N -2.458 118.228 120.570 0.192 0.000 3.956 385 I HA 0.125 4.295 4.170 0.000 0.000 0.333 385 I C 1.631 177.842 176.117 0.157 0.000 1.302 385 I CA -0.471 60.914 61.300 0.141 0.000 1.122 385 I CB -0.040 38.005 38.000 0.075 0.000 1.013 385 I HN 0.161 nan 8.210 nan 0.000 0.405 386 L N 1.842 123.179 121.223 0.191 0.000 2.013 386 L HA -0.228 4.112 4.340 0.000 0.000 0.212 386 L C 2.598 179.685 176.870 0.361 0.000 1.073 386 L CA 2.180 57.173 54.840 0.255 0.000 0.753 386 L CB -0.638 41.542 42.059 0.202 0.000 0.890 386 L HN 0.454 nan 8.230 nan 0.000 0.432 387 E N -1.172 119.206 120.200 0.296 0.000 2.106 387 E HA -0.229 4.121 4.350 0.000 0.000 0.192 387 E C 2.028 178.631 176.600 0.004 0.000 0.984 387 E CA 0.835 57.328 56.400 0.154 0.000 0.806 387 E CB 0.016 29.772 29.700 0.093 0.000 0.750 387 E HN 0.451 nan 8.360 nan 0.000 0.458 388 E N 0.261 120.487 120.200 0.043 0.000 2.051 388 E HA -0.135 4.215 4.350 0.000 0.000 0.192 388 E C 2.133 178.734 176.600 0.001 0.000 0.991 388 E CA 0.953 57.350 56.400 -0.006 0.000 0.799 388 E CB 0.006 29.714 29.700 0.014 0.000 0.748 388 E HN 0.165 nan 8.360 nan 0.000 0.449 389 V N 0.343 120.328 119.914 0.118 0.000 2.809 389 V HA -0.126 3.994 4.120 0.000 0.000 0.256 389 V C 2.226 178.449 176.094 0.215 0.000 1.080 389 V CA 1.424 63.881 62.300 0.262 0.000 1.102 389 V CB -0.649 31.396 31.823 0.370 0.000 0.705 389 V HN 0.272 nan 8.190 nan 0.000 0.475 390 G N 1.816 110.694 108.800 0.130 0.000 2.505 390 G HA2 -0.247 3.713 3.960 0.000 0.000 0.214 390 G HA3 -0.247 3.713 3.960 0.000 0.000 0.214 390 G C 1.579 176.378 174.900 -0.168 0.000 1.237 390 G CA 0.891 46.012 45.100 0.034 0.000 0.802 390 G HN 0.573 nan 8.290 nan 0.000 0.549 391 R N 0.269 120.596 120.500 -0.289 0.000 2.127 391 R HA -0.005 4.335 4.340 0.000 0.000 0.238 391 R C 2.351 178.436 176.300 -0.357 0.000 1.134 391 R CA 1.293 57.203 56.100 -0.316 0.000 0.975 391 R CB -0.488 29.636 30.300 -0.293 0.000 0.865 391 R HN 0.269 nan 8.270 nan 0.000 0.447 392 R N 0.245 120.464 120.500 -0.468 0.000 2.235 392 R HA 0.102 4.442 4.340 0.000 0.000 0.213 392 R C 1.891 177.657 176.300 -0.890 0.000 1.059 392 R CA 1.037 56.597 56.100 -0.901 0.000 0.997 392 R CB -0.095 29.353 30.300 -1.420 0.000 0.884 392 R HN 0.316 nan 8.270 nan 0.000 0.462 393 M N -0.535 118.844 119.600 -0.368 0.000 2.556 393 M HA 0.127 4.607 4.480 0.000 0.000 0.245 393 M C 0.534 176.742 176.300 -0.154 0.000 1.128 393 M CA 0.460 55.687 55.300 -0.121 0.000 1.069 393 M CB 0.813 33.497 32.600 0.139 0.000 1.469 393 M HN 0.364 nan 8.290 nan 0.000 0.494 394 G N 2.332 111.007 108.800 -0.209 0.000 2.291 394 G HA2 -0.212 3.748 3.960 0.000 0.000 0.271 394 G HA3 -0.212 3.748 3.960 0.000 0.000 0.271 394 G C -0.497 174.333 174.900 -0.117 0.000 1.099 394 G CA -0.222 44.777 45.100 -0.169 0.000 0.919 394 G HN 0.381 nan 8.290 nan 0.000 0.496 395 L N -1.168 119.969 121.223 -0.144 0.000 2.322 395 L HA 0.611 4.951 4.340 0.000 0.000 0.269 395 L C 0.415 177.147 176.870 -0.230 0.000 1.012 395 L CA -1.290 53.481 54.840 -0.115 0.000 0.815 395 L CB 1.348 43.398 42.059 -0.014 0.000 1.295 395 L HN 0.116 nan 8.230 nan 0.000 0.438 396 E N -0.182 119.927 120.200 -0.153 0.000 1.999 396 E HA -0.004 4.346 4.350 0.000 0.000 0.296 396 E C 0.920 177.269 176.600 -0.418 0.000 1.187 396 E CA -0.040 56.257 56.400 -0.172 0.000 1.229 396 E CB -0.224 29.465 29.700 -0.018 0.000 1.131 396 E HN 0.587 nan 8.360 nan 0.000 0.478 397 T N -1.949 112.087 114.554 -0.865 0.000 3.219 397 T HA -0.148 4.202 4.350 0.000 0.000 0.264 397 T C 0.754 174.887 174.700 -0.944 0.000 1.178 397 T CA 0.716 61.830 62.100 -1.643 0.000 1.057 397 T CB -0.131 67.760 68.868 -1.629 0.000 0.919 397 T HN 0.402 nan 8.240 nan 0.000 0.545 398 H N -0.119 118.822 119.070 -0.216 0.000 2.893 398 H HA 0.261 4.817 4.556 0.000 0.000 0.270 398 H C -0.026 175.344 175.328 0.069 0.000 1.095 398 H CA -0.060 55.969 56.048 -0.031 0.000 1.186 398 H CB 0.828 30.555 29.762 -0.058 0.000 1.562 398 H HN 0.347 nan 8.280 nan 0.000 0.536 399 T N 2.342 117.008 114.554 0.186 0.000 3.053 399 T HA 0.215 4.565 4.350 0.000 0.000 0.363 399 T C 1.557 176.425 174.700 0.279 0.000 1.239 399 T CA -0.258 61.955 62.100 0.189 0.000 1.071 399 T CB 1.204 70.152 68.868 0.134 0.000 1.089 399 T HN 0.104 nan 8.240 nan 0.000 0.527 400 L N 1.921 123.290 121.223 0.243 0.000 2.043 400 L HA -0.195 4.145 4.340 0.000 0.000 0.212 400 L C 2.737 179.666 176.870 0.099 0.000 1.075 400 L CA 1.498 56.444 54.840 0.177 0.000 0.752 400 L CB -0.357 41.762 42.059 0.100 0.000 0.891 400 L HN 0.714 nan 8.230 nan 0.000 0.432 401 A N -0.648 122.227 122.820 0.093 0.000 2.186 401 A HA -0.185 4.135 4.320 0.000 0.000 0.219 401 A C 2.310 179.939 177.584 0.075 0.000 1.159 401 A CA 1.582 53.657 52.037 0.063 0.000 0.680 401 A CB -0.565 18.468 19.000 0.056 0.000 0.787 401 A HN 0.596 nan 8.150 nan 0.000 0.467 402 S N -0.698 115.081 115.700 0.131 0.000 2.522 402 S HA 0.159 4.629 4.470 0.000 0.000 0.227 402 S C 0.858 175.532 174.600 0.124 0.000 0.986 402 S CA 0.554 58.840 58.200 0.143 0.000 0.929 402 S CB -0.655 62.665 63.200 0.200 0.000 0.769 402 S HN 0.862 nan 8.310 nan 0.000 0.529 403 L N 0.429 121.687 121.223 0.059 0.000 3.865 403 L HA -0.169 4.171 4.340 0.000 0.000 0.408 403 L C 1.588 178.462 176.870 0.006 0.000 1.209 403 L CA 0.820 55.645 54.840 -0.024 0.000 0.940 403 L CB -2.751 39.309 42.059 0.003 0.000 1.971 403 L HN 0.764 nan 8.230 nan 0.000 0.899 404 W N 0.342 121.651 121.300 0.016 0.000 2.402 404 W HA -0.119 4.541 4.660 0.000 0.000 0.286 404 W C 1.715 178.252 176.519 0.030 0.000 1.221 404 W CA 1.215 58.571 57.345 0.019 0.000 1.257 404 W CB -0.686 28.772 29.460 -0.003 0.000 1.120 404 W HN 0.253 nan 8.180 nan 0.000 0.551 405 K N 0.776 120.664 120.400 -0.855 0.000 2.057 405 K HA -0.171 4.149 4.320 0.000 0.000 0.207 405 K C 1.571 178.019 176.600 -0.254 0.000 1.049 405 K CA 2.129 57.947 56.287 -0.783 0.000 0.931 405 K CB -0.328 31.605 32.500 -0.945 0.000 0.714 405 K HN -0.055 nan 8.250 nan 0.000 0.440 406 D N 0.347 120.636 120.400 -0.185 0.000 2.117 406 D HA -0.115 4.525 4.640 0.000 0.000 0.197 406 D C 2.008 178.314 176.300 0.011 0.000 0.987 406 D CA 1.095 55.053 54.000 -0.070 0.000 0.829 406 D CB -0.049 40.720 40.800 -0.052 0.000 0.961 406 D HN 0.126 nan 8.370 nan 0.000 0.460 407 R N 0.494 121.029 120.500 0.059 0.000 2.066 407 R HA 0.011 4.351 4.340 0.000 0.000 0.232 407 R C 2.251 178.645 176.300 0.158 0.000 1.131 407 R CA 1.137 57.307 56.100 0.117 0.000 0.955 407 R CB -0.379 30.014 30.300 0.155 0.000 0.851 407 R HN 0.124 nan 8.270 nan 0.000 0.432 408 A N 0.911 123.853 122.820 0.204 0.000 1.851 408 A HA -0.162 4.158 4.320 0.000 0.000 0.216 408 A C 2.306 180.011 177.584 0.202 0.000 1.195 408 A CA 1.719 53.914 52.037 0.264 0.000 0.622 408 A CB -1.066 18.150 19.000 0.361 0.000 0.831 408 A HN 0.199 nan 8.150 nan 0.000 0.444 409 V N -0.048 119.942 119.914 0.127 0.000 2.380 409 V HA -0.262 3.858 4.120 0.000 0.000 0.251 409 V C 2.538 178.680 176.094 0.081 0.000 1.063 409 V CA 3.104 65.458 62.300 0.091 0.000 1.055 409 V CB -0.956 30.877 31.823 0.016 0.000 0.657 409 V HN 0.664 nan 8.190 nan 0.000 0.455 410 T N -0.512 114.087 114.554 0.075 0.000 2.746 410 T HA -0.172 4.178 4.350 0.000 0.000 0.267 410 T C 1.766 176.507 174.700 0.068 0.000 1.039 410 T CA 1.739 63.879 62.100 0.067 0.000 1.142 410 T CB -0.231 68.679 68.868 0.069 0.000 0.866 410 T HN 0.501 nan 8.240 nan 0.000 0.444 411 E N 0.630 120.890 120.200 0.100 0.000 2.150 411 E HA 0.046 4.396 4.350 0.000 0.000 0.193 411 E C 2.003 178.624 176.600 0.035 0.000 0.985 411 E CA 0.494 56.941 56.400 0.078 0.000 0.814 411 E CB -0.336 29.419 29.700 0.092 0.000 0.752 411 E HN 0.517 nan 8.360 nan 0.000 0.466 412 I N 0.250 120.894 120.570 0.124 0.000 2.179 412 I HA -0.291 3.879 4.170 0.000 0.000 0.242 412 I C 1.876 178.031 176.117 0.062 0.000 1.088 412 I CA 1.199 62.601 61.300 0.170 0.000 1.357 412 I CB -0.361 37.810 38.000 0.285 0.000 1.051 412 I HN 0.136 nan 8.210 nan 0.000 0.409 413 N N 0.194 118.918 118.700 0.040 0.000 2.205 413 N HA -0.155 4.585 4.740 0.000 0.000 0.186 413 N C 1.798 177.286 175.510 -0.037 0.000 1.015 413 N CA 1.051 54.096 53.050 -0.007 0.000 0.862 413 N CB 0.072 38.553 38.487 -0.010 0.000 0.986 413 N HN 0.086 nan 8.380 nan 0.000 0.429 414 V N 0.772 120.642 119.914 -0.073 0.000 2.358 414 V HA -0.189 3.931 4.120 0.000 0.000 0.246 414 V C 2.251 178.198 176.094 -0.245 0.000 1.047 414 V CA 1.821 64.023 62.300 -0.163 0.000 1.035 414 V CB -0.890 30.796 31.823 -0.230 0.000 0.658 414 V HN 0.352 nan 8.190 nan 0.000 0.452 415 A N 0.137 122.768 122.820 -0.315 0.000 1.858 415 A HA -0.161 4.159 4.320 0.000 0.000 0.216 415 A C 2.414 179.962 177.584 -0.060 0.000 1.190 415 A CA 2.152 53.964 52.037 -0.376 0.000 0.617 415 A CB -0.830 17.676 19.000 -0.824 0.000 0.827 415 A HN 0.305 nan 8.150 nan 0.000 0.443 416 V N 0.124 120.058 119.914 0.034 0.000 2.282 416 V HA -0.304 3.816 4.120 0.000 0.000 0.249 416 V C 2.608 178.781 176.094 0.130 0.000 1.057 416 V CA 2.179 64.561 62.300 0.138 0.000 1.032 416 V CB -0.851 30.989 31.823 0.029 0.000 0.645 416 V HN 0.558 nan 8.190 nan 0.000 0.447 417 L N -0.780 120.457 121.223 0.023 0.000 2.017 417 L HA -0.213 4.127 4.340 0.000 0.000 0.208 417 L C 2.654 179.564 176.870 0.067 0.000 1.073 417 L CA 2.132 56.985 54.840 0.022 0.000 0.745 417 L CB -0.897 41.158 42.059 -0.006 0.000 0.894 417 L HN 0.505 nan 8.230 nan 0.000 0.432 418 H N -0.337 118.686 119.070 -0.079 0.000 2.319 418 H HA -0.176 4.380 4.556 0.000 0.000 0.299 418 H C 2.266 177.569 175.328 -0.042 0.000 1.092 418 H CA 1.954 57.938 56.048 -0.106 0.000 1.302 418 H CB 0.321 29.943 29.762 -0.234 0.000 1.373 418 H HN 0.266 nan 8.280 nan 0.000 0.497 419 S N 0.168 115.800 115.700 -0.113 0.000 2.368 419 S HA -0.117 4.353 4.470 0.000 0.000 0.225 419 S C 1.958 176.503 174.600 -0.090 0.000 1.030 419 S CA 1.224 59.336 58.200 -0.146 0.000 0.999 419 S CB -0.490 62.708 63.200 -0.004 0.000 0.844 419 S HN 0.303 nan 8.310 nan 0.000 0.459 420 F N 2.040 121.930 119.950 -0.101 0.000 2.171 420 F HA -0.103 4.424 4.527 0.000 0.000 0.300 420 F C 2.641 178.383 175.800 -0.097 0.000 1.090 420 F CA 1.098 59.055 58.000 -0.071 0.000 1.293 420 F CB -0.539 38.436 39.000 -0.041 0.000 1.013 420 F HN 0.223 nan 8.300 nan 0.000 0.486 421 Q N -0.090 119.746 119.800 0.060 0.000 2.016 421 Q HA -0.242 4.099 4.340 0.000 0.000 0.200 421 Q C 2.253 178.197 176.000 -0.092 0.000 0.978 421 Q CA 1.731 57.520 55.803 -0.022 0.000 0.833 421 Q CB -0.301 28.418 28.738 -0.030 0.000 0.895 421 Q HN 0.323 nan 8.270 nan 0.000 0.427 422 K N 0.964 121.249 120.400 -0.192 0.000 2.063 422 K HA -0.187 4.133 4.320 0.000 0.000 0.208 422 K C 1.270 177.782 176.600 -0.148 0.000 1.048 422 K CA 1.383 57.541 56.287 -0.216 0.000 0.928 422 K CB 0.124 32.387 32.500 -0.395 0.000 0.713 422 K HN 0.155 nan 8.250 nan 0.000 0.442 423 Q N 0.944 120.653 119.800 -0.152 0.000 2.239 423 Q HA 0.088 4.428 4.340 0.000 0.000 0.219 423 Q C -0.751 175.187 176.000 -0.104 0.000 0.901 423 Q CA -0.322 55.403 55.803 -0.130 0.000 0.949 423 Q CB 0.184 28.822 28.738 -0.166 0.000 1.038 423 Q HN 0.277 nan 8.270 nan 0.000 0.458 424 N N 0.502 119.155 118.700 -0.079 0.000 2.689 424 N HA -0.162 4.578 4.740 0.000 0.000 0.263 424 N C -1.495 173.989 175.510 -0.043 0.000 0.987 424 N CA 0.637 53.653 53.050 -0.056 0.000 0.782 424 N CB -0.735 37.719 38.487 -0.054 0.000 0.903 424 N HN 0.051 nan 8.380 nan 0.000 0.547 425 V N 0.984 120.890 119.914 -0.013 0.000 2.443 425 V HA 0.200 4.320 4.120 0.000 0.000 0.293 425 V C 0.644 176.837 176.094 0.165 0.000 1.021 425 V CA -0.784 61.547 62.300 0.052 0.000 0.848 425 V CB 2.067 33.869 31.823 -0.034 0.000 0.998 425 V HN 0.240 nan 8.190 nan 0.000 0.424 426 T N 6.312 120.903 114.554 0.060 0.000 2.923 426 T HA 0.300 4.650 4.350 0.000 0.000 0.304 426 T C -0.228 174.486 174.700 0.025 0.000 1.044 426 T CA 1.211 63.265 62.100 -0.077 0.000 1.141 426 T CB -0.017 68.692 68.868 -0.265 0.000 1.023 426 T HN 0.591 nan 8.240 nan 0.000 0.533 427 I N 2.363 122.864 120.570 -0.115 0.000 2.842 427 I HA 0.516 4.686 4.170 0.000 0.000 0.296 427 I C -1.676 174.390 176.117 -0.085 0.000 1.538 427 I CA -0.929 60.314 61.300 -0.096 0.000 0.994 427 I CB 1.933 39.779 38.000 -0.257 0.000 1.372 427 I HN 0.633 nan 8.210 nan 0.000 0.478 428 M N 5.202 124.819 119.600 0.028 0.000 2.326 428 M HA 0.382 4.862 4.480 0.000 0.000 0.292 428 M C -1.586 174.757 176.300 0.073 0.000 1.081 428 M CA -0.521 54.823 55.300 0.073 0.000 0.919 428 M CB 1.743 34.469 32.600 0.210 0.000 1.634 428 M HN 0.646 nan 8.290 nan 0.000 0.451 429 D N 2.220 122.661 120.400 0.068 0.000 2.360 429 D HA 0.054 4.694 4.640 0.000 0.000 0.242 429 D C 1.163 177.541 176.300 0.130 0.000 1.184 429 D CA -0.039 54.033 54.000 0.121 0.000 0.930 429 D CB 0.562 41.431 40.800 0.116 0.000 1.161 429 D HN 0.682 nan 8.370 nan 0.000 0.447 430 H N 0.177 119.201 119.070 -0.076 0.000 2.423 430 H HA -0.129 4.427 4.556 0.000 0.000 0.297 430 H C 1.183 176.426 175.328 -0.142 0.000 1.075 430 H CA 1.409 57.371 56.048 -0.143 0.000 1.342 430 H CB -0.761 28.855 29.762 -0.243 0.000 1.395 430 H HN 0.549 nan 8.280 nan 0.000 0.530 431 H N 1.007 119.834 119.070 -0.405 0.000 2.293 431 H HA -0.055 4.501 4.556 0.000 0.000 0.300 431 H C 1.980 177.259 175.328 -0.081 0.000 1.082 431 H CA 2.061 57.954 56.048 -0.259 0.000 1.308 431 H CB -0.340 29.248 29.762 -0.289 0.000 1.375 431 H HN 0.394 nan 8.280 nan 0.000 0.495 432 T N 1.332 115.932 114.554 0.077 0.000 2.720 432 T HA -0.134 4.216 4.350 0.000 0.000 0.268 432 T C 2.347 177.100 174.700 0.088 0.000 1.037 432 T CA 1.199 63.343 62.100 0.072 0.000 1.144 432 T CB -0.472 68.434 68.868 0.064 0.000 0.864 432 T HN 0.442 nan 8.240 nan 0.000 0.444 433 A N 1.555 124.428 122.820 0.088 0.000 1.865 433 A HA -0.151 4.169 4.320 0.000 0.000 0.217 433 A C 2.651 180.308 177.584 0.122 0.000 1.191 433 A CA 2.189 54.291 52.037 0.107 0.000 0.623 433 A CB -1.078 17.974 19.000 0.086 0.000 0.826 433 A HN 0.449 nan 8.150 nan 0.000 0.444 434 S N -0.423 115.333 115.700 0.094 0.000 2.348 434 S HA -0.186 4.284 4.470 0.000 0.000 0.221 434 S C 1.866 176.566 174.600 0.167 0.000 1.033 434 S CA 1.568 59.849 58.200 0.135 0.000 1.010 434 S CB -0.402 62.849 63.200 0.085 0.000 0.891 434 S HN 0.688 nan 8.310 nan 0.000 0.442 435 E N 1.033 121.304 120.200 0.117 0.000 2.118 435 E HA -0.154 4.196 4.350 0.000 0.000 0.195 435 E C 2.373 179.029 176.600 0.094 0.000 0.992 435 E CA 1.454 57.911 56.400 0.095 0.000 0.804 435 E CB -0.202 29.539 29.700 0.068 0.000 0.741 435 E HN 0.631 nan 8.360 nan 0.000 0.458 436 S N 0.230 116.001 115.700 0.118 0.000 2.406 436 S HA -0.132 4.338 4.470 0.000 0.000 0.228 436 S C 1.850 176.544 174.600 0.156 0.000 1.020 436 S CA 0.382 58.653 58.200 0.120 0.000 0.965 436 S CB -0.303 62.974 63.200 0.129 0.000 0.798 436 S HN 0.289 nan 8.310 nan 0.000 0.488 437 F N 2.429 122.414 119.950 0.057 0.000 2.163 437 F HA 0.136 4.663 4.527 0.000 0.000 0.297 437 F C 2.216 178.072 175.800 0.093 0.000 1.094 437 F CA 1.123 59.168 58.000 0.075 0.000 1.290 437 F CB -0.400 38.626 39.000 0.043 0.000 1.017 437 F HN 0.084 nan 8.300 nan 0.000 0.483 438 M N 0.377 119.962 119.600 -0.026 0.000 2.108 438 M HA -0.198 4.282 4.480 0.000 0.000 0.261 438 M C 2.211 178.411 176.300 -0.167 0.000 1.066 438 M CA 1.670 56.893 55.300 -0.128 0.000 1.107 438 M CB -1.385 31.216 32.600 0.002 0.000 1.356 438 M HN 0.105 nan 8.290 nan 0.000 0.406 439 K N -0.170 120.187 120.400 -0.072 0.000 2.026 439 K HA -0.215 4.105 4.320 0.000 0.000 0.208 439 K C 2.009 178.551 176.600 -0.096 0.000 1.048 439 K CA 1.997 58.247 56.287 -0.060 0.000 0.929 439 K CB -0.784 31.716 32.500 -0.001 0.000 0.713 439 K HN 0.387 nan 8.250 nan 0.000 0.439 440 H N 0.119 119.076 119.070 -0.188 0.000 2.289 440 H HA -0.157 4.399 4.556 0.000 0.000 0.296 440 H C 2.049 177.198 175.328 -0.298 0.000 1.091 440 H CA 2.771 58.691 56.048 -0.214 0.000 1.274 440 H CB -0.372 29.255 29.762 -0.225 0.000 1.364 440 H HN 0.299 nan 8.280 nan 0.000 0.490 441 M N -0.035 119.195 119.600 -0.616 0.000 2.106 441 M HA -0.302 4.179 4.480 0.000 0.000 0.259 441 M C 2.224 178.307 176.300 -0.361 0.000 1.068 441 M CA 2.196 57.144 55.300 -0.587 0.000 1.100 441 M CB -0.081 32.128 32.600 -0.652 0.000 1.351 441 M HN 0.503 nan 8.290 nan 0.000 0.404 442 Q N 0.014 119.633 119.800 -0.302 0.000 2.020 442 Q HA -0.194 4.146 4.340 0.000 0.000 0.202 442 Q C 1.713 177.625 176.000 -0.146 0.000 0.982 442 Q CA 1.917 57.598 55.803 -0.203 0.000 0.838 442 Q CB -0.339 28.304 28.738 -0.158 0.000 0.899 442 Q HN 0.587 nan 8.270 nan 0.000 0.423 443 N N 0.586 119.178 118.700 -0.180 0.000 2.094 443 N HA -0.180 4.560 4.740 0.000 0.000 0.191 443 N C 1.576 176.975 175.510 -0.184 0.000 1.023 443 N CA 1.110 54.069 53.050 -0.151 0.000 0.857 443 N CB -0.281 38.129 38.487 -0.130 0.000 1.013 443 N HN 0.239 nan 8.380 nan 0.000 0.426 444 E N 0.240 120.258 120.200 -0.304 0.000 2.058 444 E HA -0.143 4.207 4.350 0.000 0.000 0.194 444 E C 1.930 178.462 176.600 -0.113 0.000 0.997 444 E CA 0.938 57.171 56.400 -0.278 0.000 0.801 444 E CB -0.410 29.072 29.700 -0.363 0.000 0.746 444 E HN 0.473 nan 8.360 nan 0.000 0.450 445 Y N 1.081 121.252 120.300 -0.215 0.000 2.163 445 Y HA -0.087 4.463 4.550 0.000 0.000 0.288 445 Y C 2.556 178.381 175.900 -0.126 0.000 1.136 445 Y CA 1.150 59.161 58.100 -0.148 0.000 1.147 445 Y CB -0.290 38.082 38.460 -0.148 0.000 0.987 445 Y HN -0.009 nan 8.280 nan 0.000 0.509 446 R N -0.356 120.158 120.500 0.024 0.000 2.080 446 R HA -0.162 4.178 4.340 0.000 0.000 0.236 446 R C 2.465 178.738 176.300 -0.045 0.000 1.137 446 R CA 1.414 57.501 56.100 -0.021 0.000 0.943 446 R CB -0.805 29.474 30.300 -0.034 0.000 0.846 446 R HN 0.303 nan 8.270 nan 0.000 0.431 447 A N 1.630 124.410 122.820 -0.067 0.000 1.969 447 A HA -0.146 4.174 4.320 0.000 0.000 0.218 447 A C 1.694 179.225 177.584 -0.088 0.000 1.169 447 A CA 1.451 53.443 52.037 -0.075 0.000 0.635 447 A CB -0.123 18.825 19.000 -0.086 0.000 0.810 447 A HN 0.472 nan 8.150 nan 0.000 0.445 448 R N -2.984 117.443 120.500 -0.123 0.000 2.518 448 R HA 0.378 4.718 4.340 0.000 0.000 0.419 448 R C 0.679 176.876 176.300 -0.172 0.000 0.902 448 R CA 0.299 56.323 56.100 -0.128 0.000 1.146 448 R CB -0.904 29.319 30.300 -0.128 0.000 1.652 448 R HN 0.785 nan 8.270 nan 0.000 0.555 449 G N 0.137 108.811 108.800 -0.210 0.000 2.323 449 G HA2 -0.047 3.913 3.960 0.000 0.000 0.292 449 G HA3 -0.047 3.913 3.960 0.000 0.000 0.292 449 G C 0.263 174.815 174.900 -0.579 0.000 1.040 449 G CA 0.366 45.282 45.100 -0.307 0.000 0.942 449 G HN 0.983 nan 8.290 nan 0.000 0.506 450 G N -2.590 105.666 108.800 -0.908 0.000 2.325 450 G HA2 0.587 4.547 3.960 0.000 0.000 0.297 450 G HA3 0.587 4.547 3.960 0.000 0.000 0.297 450 G C -0.823 173.800 174.900 -0.462 0.000 1.448 450 G CA 0.325 44.867 45.100 -0.930 0.000 0.838 450 G HN 2.041 nan 8.290 nan 0.000 0.579 451 C N 2.068 121.322 119.300 -0.076 0.000 3.072 451 C HA 0.572 5.032 4.460 0.000 0.000 0.400 451 C C -2.665 172.326 174.990 0.002 0.000 1.075 451 C CA -0.960 58.076 59.018 0.030 0.000 1.272 451 C CB 0.902 28.725 27.740 0.139 0.000 1.670 451 C HN 0.750 nan 8.230 nan 0.000 0.516 452 P HA 0.396 nan 4.420 nan 0.000 0.264 452 P C -0.527 176.706 177.300 -0.112 0.000 1.193 452 P CA 0.712 63.484 63.100 -0.546 0.000 0.763 452 P CB 1.026 32.350 31.700 -0.625 0.000 0.810 453 A N 2.583 125.391 122.820 -0.020 0.000 2.488 453 A HA 0.362 4.683 4.320 0.000 0.000 0.295 453 A C -1.106 176.553 177.584 0.124 0.000 1.045 453 A CA -0.587 51.516 52.037 0.109 0.000 0.703 453 A CB 1.242 20.403 19.000 0.268 0.000 1.271 453 A HN 0.472 nan 8.150 nan 0.000 0.400 454 D N 2.201 122.666 120.400 0.109 0.000 2.443 454 D HA 0.143 4.783 4.640 0.000 0.000 0.221 454 D C 0.730 177.178 176.300 0.247 0.000 1.097 454 D CA -0.392 53.713 54.000 0.175 0.000 0.865 454 D CB 0.538 41.410 40.800 0.119 0.000 1.034 454 D HN 0.642 nan 8.370 nan 0.000 0.511 455 W N 4.823 126.171 121.300 0.080 0.000 2.335 455 W HA -0.185 4.475 4.660 0.000 0.000 0.311 455 W C 1.845 178.401 176.519 0.062 0.000 1.213 455 W CA 1.103 58.476 57.345 0.048 0.000 1.274 455 W CB -0.103 29.362 29.460 0.007 0.000 1.148 455 W HN 0.464 nan 8.180 nan 0.000 0.498 456 I N -0.724 120.135 120.570 0.481 0.000 2.315 456 I HA -0.336 3.834 4.170 0.000 0.000 0.251 456 I C 1.798 177.965 176.117 0.083 0.000 1.125 456 I CA 1.634 63.127 61.300 0.321 0.000 1.392 456 I CB -0.616 37.603 38.000 0.367 0.000 1.065 456 I HN 0.160 nan 8.210 nan 0.000 0.424 457 W N 0.100 121.376 121.300 -0.041 0.000 2.574 457 W HA 0.103 4.763 4.660 0.000 0.000 0.282 457 W C 2.308 178.712 176.519 -0.192 0.000 1.197 457 W CA 0.213 57.505 57.345 -0.089 0.000 1.376 457 W CB -0.495 28.939 29.460 -0.042 0.000 1.091 457 W HN -0.099 nan 8.180 nan 0.000 0.569 458 L N 0.141 121.335 121.223 -0.049 0.000 2.265 458 L HA -0.079 4.261 4.340 0.000 0.000 0.215 458 L C 0.492 177.151 176.870 -0.352 0.000 1.117 458 L CA 0.442 55.126 54.840 -0.260 0.000 0.782 458 L CB -0.881 40.964 42.059 -0.358 0.000 0.914 458 L HN -0.353 nan 8.230 nan 0.000 0.441 459 V N 0.891 120.514 119.914 -0.485 0.000 2.432 459 V HA 0.168 4.288 4.120 0.000 0.000 0.271 459 V C -1.862 174.033 176.094 -0.332 0.000 1.046 459 V CA -1.488 60.511 62.300 -0.502 0.000 0.945 459 V CB 0.698 31.995 31.823 -0.876 0.000 0.992 459 V HN 0.024 nan 8.190 nan 0.000 0.471 460 P HA 0.019 nan 4.420 nan 0.000 0.263 460 P C -1.688 175.486 177.300 -0.209 0.000 1.175 460 P CA -0.664 62.319 63.100 -0.196 0.000 0.761 460 P CB 0.132 31.779 31.700 -0.089 0.000 0.794 461 P HA -0.075 nan 4.420 nan 0.000 0.231 461 P C -0.003 177.194 177.300 -0.172 0.000 1.158 461 P CA 1.091 64.067 63.100 -0.206 0.000 0.763 461 P CB 0.161 31.727 31.700 -0.222 0.000 0.805 462 V N -6.461 113.339 119.914 -0.190 0.000 3.049 462 V HA 0.577 4.697 4.120 0.000 0.000 0.309 462 V C 0.168 176.227 176.094 -0.058 0.000 1.148 462 V CA -0.979 61.243 62.300 -0.129 0.000 0.990 462 V CB 1.423 33.160 31.823 -0.143 0.000 1.039 462 V HN -0.118 nan 8.190 nan 0.000 0.430 463 S N 1.605 117.295 115.700 -0.016 0.000 3.631 463 S HA -0.171 4.300 4.470 0.000 0.000 0.366 463 S C 1.483 176.063 174.600 -0.033 0.000 0.993 463 S CA 1.040 59.251 58.200 0.019 0.000 1.167 463 S CB -1.459 61.828 63.200 0.145 0.000 0.909 463 S HN 2.012 nan 8.310 nan 0.000 0.478 464 G N 2.584 111.329 108.800 -0.092 0.000 2.739 464 G HA2 -0.292 3.668 3.960 0.000 0.000 0.216 464 G HA3 -0.292 3.668 3.960 0.000 0.000 0.216 464 G C 1.472 176.227 174.900 -0.243 0.000 1.298 464 G CA 1.426 46.455 45.100 -0.119 0.000 0.804 464 G HN 1.306 nan 8.290 nan 0.000 0.623 465 S N 0.319 115.600 115.700 -0.698 0.000 2.537 465 S HA 0.001 4.471 4.470 0.000 0.000 0.240 465 S C 2.056 176.616 174.600 -0.067 0.000 0.981 465 S CA 0.820 58.536 58.200 -0.807 0.000 0.948 465 S CB -0.139 62.446 63.200 -1.025 0.000 0.759 465 S HN 0.213 nan 8.310 nan 0.000 0.531 466 I N 2.596 123.147 120.570 -0.030 0.000 2.617 466 I HA 0.021 4.191 4.170 0.000 0.000 0.256 466 I C 1.541 177.748 176.117 0.149 0.000 1.167 466 I CA 0.800 62.150 61.300 0.082 0.000 1.469 466 I CB -1.867 36.201 38.000 0.113 0.000 1.098 466 I HN 0.510 nan 8.210 nan 0.000 0.436 467 T N -0.562 114.068 114.554 0.128 0.000 2.909 467 T HA 0.283 4.633 4.350 0.000 0.000 0.286 467 T C -1.247 173.601 174.700 0.247 0.000 1.002 467 T CA -1.713 60.474 62.100 0.146 0.000 1.074 467 T CB 2.179 71.074 68.868 0.044 0.000 0.984 467 T HN -0.064 nan 8.240 nan 0.000 0.495 468 P HA -0.111 nan 4.420 nan 0.000 0.216 468 P C 1.738 179.241 177.300 0.338 0.000 1.150 468 P CA 0.677 63.959 63.100 0.304 0.000 0.837 468 P CB -0.144 31.669 31.700 0.188 0.000 0.786 469 V N -0.248 119.812 119.914 0.244 0.000 2.453 469 V HA -0.242 3.878 4.120 0.000 0.000 0.252 469 V C 2.425 178.644 176.094 0.208 0.000 1.068 469 V CA 1.882 64.307 62.300 0.208 0.000 1.070 469 V CB -1.545 30.336 31.823 0.096 0.000 0.664 469 V HN -0.013 nan 8.190 nan 0.000 0.461 470 F N 1.036 120.998 119.950 0.020 0.000 2.171 470 F HA -0.213 4.314 4.527 0.000 0.000 0.300 470 F C 2.156 178.106 175.800 0.250 0.000 1.090 470 F CA 2.166 60.204 58.000 0.063 0.000 1.293 470 F CB -0.279 38.611 39.000 -0.183 0.000 1.013 470 F HN 0.351 nan 8.300 nan 0.000 0.486 471 H N -1.570 117.829 119.070 0.548 0.000 2.548 471 H HA 0.114 4.670 4.556 0.000 0.000 0.265 471 H C 0.492 176.026 175.328 0.343 0.000 0.969 471 H CA 0.232 56.535 56.048 0.425 0.000 1.155 471 H CB -0.103 29.903 29.762 0.406 0.000 1.394 471 H HN 0.168 nan 8.280 nan 0.000 0.570 472 Q N 1.866 121.901 119.800 0.392 0.000 2.267 472 Q HA 0.115 4.455 4.340 0.000 0.000 0.255 472 Q C -0.583 175.576 176.000 0.264 0.000 0.923 472 Q CA -0.255 55.714 55.803 0.276 0.000 0.925 472 Q CB 0.680 29.557 28.738 0.232 0.000 1.195 472 Q HN 0.341 nan 8.270 nan 0.000 0.417 473 E N 3.673 123.971 120.200 0.164 0.000 2.343 473 E HA 0.470 4.820 4.350 0.000 0.000 0.269 473 E C -0.513 176.164 176.600 0.127 0.000 1.047 473 E CA -0.181 56.286 56.400 0.111 0.000 0.874 473 E CB 0.869 30.624 29.700 0.092 0.000 1.033 473 E HN 0.691 nan 8.360 nan 0.000 0.409 474 M N 0.365 120.048 119.600 0.139 0.000 2.414 474 M HA 0.363 4.843 4.480 0.000 0.000 0.287 474 M C -1.891 174.516 176.300 0.178 0.000 1.181 474 M CA -1.135 54.278 55.300 0.190 0.000 0.933 474 M CB 1.008 33.767 32.600 0.266 0.000 1.732 474 M HN 0.115 nan 8.290 nan 0.000 0.486 475 L N 2.656 124.012 121.223 0.222 0.000 2.307 475 L HA 0.554 4.894 4.340 0.000 0.000 0.282 475 L C -0.349 176.672 176.870 0.252 0.000 1.051 475 L CA 0.011 55.001 54.840 0.249 0.000 0.804 475 L CB 1.094 43.340 42.059 0.312 0.000 1.197 475 L HN 0.785 nan 8.230 nan 0.000 0.431 476 N N 2.884 121.716 118.700 0.219 0.000 2.424 476 N HA 0.535 5.275 4.740 0.000 0.000 0.271 476 N C -1.597 174.038 175.510 0.209 0.000 0.985 476 N CA -0.246 52.873 53.050 0.114 0.000 0.921 476 N CB 0.680 39.232 38.487 0.107 0.000 1.149 476 N HN 0.408 nan 8.380 nan 0.000 0.492 477 Y N 0.047 120.391 120.300 0.074 0.000 2.480 477 Y HA 0.440 4.990 4.550 0.000 0.000 0.329 477 Y C -1.212 174.700 175.900 0.019 0.000 1.127 477 Y CA -1.348 56.778 58.100 0.042 0.000 1.037 477 Y CB 0.272 38.767 38.460 0.059 0.000 1.320 477 Y HN 0.016 nan 8.280 nan 0.000 0.446 478 V N 5.549 125.478 119.914 0.024 0.000 2.381 478 V HA 0.146 4.266 4.120 0.000 0.000 0.257 478 V C 0.617 176.633 176.094 -0.131 0.000 1.057 478 V CA -0.012 62.111 62.300 -0.295 0.000 1.013 478 V CB -0.601 30.851 31.823 -0.619 0.000 1.069 478 V HN 0.813 nan 8.190 nan 0.000 0.484 479 L N 3.009 124.244 121.223 0.021 0.000 2.928 479 L HA 0.621 4.961 4.340 0.000 0.000 0.162 479 L C 0.608 177.510 176.870 0.054 0.000 1.540 479 L CA -0.188 54.709 54.840 0.096 0.000 1.836 479 L CB 0.618 42.766 42.059 0.148 0.000 2.626 479 L HN 0.618 nan 8.230 nan 0.000 0.549 480 S N -1.334 114.425 115.700 0.098 0.000 2.560 480 S HA 0.407 4.877 4.470 0.000 0.000 0.283 480 S C -2.665 171.993 174.600 0.097 0.000 1.141 480 S CA -0.928 57.330 58.200 0.095 0.000 0.902 480 S CB 1.606 64.841 63.200 0.058 0.000 1.104 480 S HN 0.111 nan 8.310 nan 0.000 0.454 481 P HA 0.438 nan 4.420 nan 0.000 0.271 481 P C -1.176 176.144 177.300 0.033 0.000 1.233 481 P CA 0.024 63.108 63.100 -0.027 0.000 0.795 481 P CB 0.228 31.839 31.700 -0.148 0.000 0.936 482 F N -0.599 119.210 119.950 -0.236 0.000 2.703 482 F HA 0.387 4.914 4.527 0.000 0.000 0.308 482 F C -1.730 173.881 175.800 -0.315 0.000 1.126 482 F CA -0.719 57.089 58.000 -0.319 0.000 0.959 482 F CB 1.053 39.843 39.000 -0.349 0.000 1.297 482 F HN 0.134 nan 8.300 nan 0.000 0.441 483 Y N 4.538 124.502 120.300 -0.561 0.000 2.491 483 Y HA 0.427 4.977 4.550 0.000 0.000 0.334 483 Y C -0.908 174.869 175.900 -0.204 0.000 0.969 483 Y CA -0.829 57.117 58.100 -0.256 0.000 1.241 483 Y CB 0.178 38.449 38.460 -0.314 0.000 1.105 483 Y HN 0.342 nan 8.280 nan 0.000 0.503 484 Y N 1.073 121.566 120.300 0.321 0.000 2.354 484 Y HA 0.321 4.871 4.550 0.000 0.000 0.322 484 Y C 0.062 176.084 175.900 0.203 0.000 1.253 484 Y CA -1.026 57.294 58.100 0.366 0.000 1.272 484 Y CB 0.673 39.330 38.460 0.328 0.000 1.255 484 Y HN 0.447 nan 8.280 nan 0.000 0.500 485 Y N 0.683 121.155 120.300 0.286 0.000 2.281 485 Y HA 0.277 4.827 4.550 0.000 0.000 0.337 485 Y C 0.203 176.179 175.900 0.126 0.000 1.304 485 Y CA -0.141 58.043 58.100 0.139 0.000 1.465 485 Y CB 0.678 39.188 38.460 0.083 0.000 1.350 485 Y HN 0.429 nan 8.280 nan 0.000 0.575 486 Q N 0.626 120.562 119.800 0.226 0.000 2.484 486 Q HA 0.420 4.760 4.340 0.000 0.000 0.285 486 Q C -1.302 174.703 176.000 0.009 0.000 1.097 486 Q CA -1.231 54.630 55.803 0.097 0.000 0.802 486 Q CB 2.410 31.179 28.738 0.051 0.000 1.444 486 Q HN 0.379 nan 8.270 nan 0.000 0.429 487 I N 1.713 122.250 120.570 -0.055 0.000 2.634 487 I HA -0.001 4.169 4.170 0.000 0.000 0.284 487 I C 0.536 176.487 176.117 -0.278 0.000 1.124 487 I CA 0.348 61.564 61.300 -0.139 0.000 1.417 487 I CB 0.218 38.142 38.000 -0.126 0.000 1.396 487 I HN 0.590 nan 8.210 nan 0.000 0.571 488 E N 8.288 128.220 120.200 -0.446 0.000 2.606 488 E HA -0.051 4.299 4.350 0.000 0.000 0.248 488 E C -1.292 174.753 176.600 -0.926 0.000 1.005 488 E CA -1.045 54.818 56.400 -0.896 0.000 0.946 488 E CB 0.317 29.200 29.700 -1.361 0.000 0.928 488 E HN 0.395 nan 8.360 nan 0.000 0.494 489 P HA -0.213 nan 4.420 nan 0.000 0.217 489 P C 1.008 177.890 177.300 -0.696 0.000 1.148 489 P CA 1.598 64.272 63.100 -0.710 0.000 0.834 489 P CB -0.150 30.981 31.700 -0.947 0.000 0.783 490 W N 0.945 121.787 121.300 -0.763 0.000 2.425 490 W HA 0.124 4.784 4.660 0.000 0.000 0.277 490 W C 1.939 178.460 176.519 0.004 0.000 1.231 490 W CA 0.517 57.642 57.345 -0.366 0.000 1.248 490 W CB -1.339 28.015 29.460 -0.177 0.000 1.117 490 W HN -0.136 nan 8.180 nan 0.000 0.568 491 K N 0.588 120.820 120.400 -0.281 0.000 2.057 491 K HA -0.054 4.266 4.320 0.000 0.000 0.206 491 K C 0.766 177.375 176.600 0.016 0.000 1.050 491 K CA 1.746 57.969 56.287 -0.106 0.000 0.935 491 K CB -0.498 31.853 32.500 -0.248 0.000 0.715 491 K HN 0.158 nan 8.250 nan 0.000 0.439 492 T N -0.861 113.683 114.554 -0.018 0.000 3.053 492 T HA 0.320 4.670 4.350 0.000 0.000 0.363 492 T C -1.174 173.633 174.700 0.179 0.000 1.239 492 T CA -0.832 61.306 62.100 0.064 0.000 1.071 492 T CB 0.623 69.493 68.868 0.002 0.000 1.089 492 T HN 0.186 nan 8.240 nan 0.000 0.527 493 H N 3.352 122.516 119.070 0.157 0.000 3.179 493 H HA 0.366 4.922 4.556 0.000 0.000 0.331 493 H C -0.245 175.222 175.328 0.231 0.000 1.013 493 H CA -1.102 55.050 56.048 0.174 0.000 1.430 493 H CB 0.915 30.813 29.762 0.227 0.000 1.895 493 H HN 0.791 nan 8.280 nan 0.000 0.468 494 I N 1.697 122.051 120.570 -0.361 0.000 2.453 494 I HA 0.153 4.323 4.170 0.000 0.000 0.300 494 I C -0.525 175.355 176.117 -0.395 0.000 1.159 494 I CA -0.262 60.898 61.300 -0.233 0.000 1.379 494 I CB -0.271 37.638 38.000 -0.153 0.000 1.460 494 I HN 0.344 nan 8.210 nan 0.000 0.601 495 W N 5.537 126.724 121.300 -0.188 0.000 2.251 495 W HA 0.166 4.826 4.660 0.000 0.000 0.327 495 W C 1.401 177.909 176.519 -0.019 0.000 1.361 495 W CA 0.002 57.330 57.345 -0.029 0.000 1.234 495 W CB 0.694 30.220 29.460 0.109 0.000 1.212 495 W HN 0.584 nan 8.180 nan 0.000 0.557 496 Q N 2.581 122.476 119.800 0.159 0.000 2.062 496 Q HA 0.002 4.342 4.340 0.000 0.000 0.196 496 Q C 1.037 177.133 176.000 0.161 0.000 0.967 496 Q CA 1.454 57.321 55.803 0.106 0.000 0.832 496 Q CB -0.070 28.686 28.738 0.030 0.000 0.899 496 Q HN 0.662 nan 8.270 nan 0.000 0.442 497 N N 0.000 118.852 118.700 0.254 0.000 1.763 497 N HA 0.000 4.740 4.740 0.000 0.000 0.220 497 N CA 0.000 53.171 53.050 0.202 0.000 0.885 497 N CB 0.000 38.555 38.487 0.113 0.000 1.341 497 N HN 0.000 nan 8.380 nan 0.000 0.667