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 1rf4_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKLKTNIRHL HGIIRVPGDK SISHRSIIFG SLAEGETKVY DILRGEDVLS DATA SEQUENCE TMQVFRDLGV EIEDKDGVIT VQGVGMAGLK APQNALNMGN SGTSIRLISG DATA SEQUENCE VLAGADFEVE MFGDDSLSKR PMDRVTLPLK KMGVSISGQT ERDLPPLRLK DATA SEQUENCE GTKNLRPIHY ELPIASAQVK SALMFAALQA KGESVIIEKE YTRNHTEDML DATA SEQUENCE QQFGGHLSVD GKKITVQGPQ KLTGQKVVVP GDISSAAFWL VAGLIAPNSR DATA SEQUENCE LVLQNVGINE TRTGIIDVIR AMGGKLEITE IDPVAKSATL IVESSDLKGT DATA SEQUENCE EICGALIPRL IDELPIIALL ATQAQGVTVI KDAEELKVKE TDRIQVVADA DATA SEQUENCE LNSMGADITP TADGMIIKGK SALHGARVNT FGDHRIGMMT AIAALLVADG DATA SEQUENCE EVELDRAEAI NTSYPSFFDD LESLIHG 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.248 176.300 -0.087 0.000 1.140 1 M CA 0.000 55.243 55.300 -0.095 0.000 0.988 1 M CB 0.000 32.502 32.600 -0.162 0.000 1.302 2 K N 1.842 122.185 120.400 -0.096 0.000 2.285 2 K HA 0.531 4.851 4.320 -0.000 0.000 0.286 2 K C -1.681 174.867 176.600 -0.086 0.000 1.072 2 K CA -0.552 55.693 56.287 -0.070 0.000 0.913 2 K CB 0.756 33.223 32.500 -0.056 0.000 1.067 2 K HN 0.634 nan 8.250 nan 0.000 0.479 3 L N 4.341 125.541 121.223 -0.038 0.000 2.334 3 L HA 0.271 4.611 4.340 -0.000 0.000 0.277 3 L C -0.217 176.662 176.870 0.015 0.000 1.075 3 L CA -0.246 54.596 54.840 0.003 0.000 0.804 3 L CB 1.111 43.211 42.059 0.068 0.000 1.174 3 L HN 0.534 nan 8.230 nan 0.000 0.438 4 K N 0.989 121.407 120.400 0.030 0.000 2.485 4 K HA 0.329 4.649 4.320 -0.000 0.000 0.277 4 K C 0.179 176.795 176.600 0.027 0.000 0.990 4 K CA 0.243 56.541 56.287 0.019 0.000 0.994 4 K CB 0.241 32.750 32.500 0.014 0.000 0.906 4 K HN 0.608 nan 8.250 nan 0.000 0.488 5 T N 1.495 116.058 114.554 0.015 0.000 2.901 5 T HA 0.302 4.652 4.350 -0.000 0.000 0.293 5 T C -0.433 174.274 174.700 0.011 0.000 1.084 5 T CA -0.797 61.315 62.100 0.019 0.000 1.008 5 T CB 0.543 69.425 68.868 0.023 0.000 1.170 5 T HN 0.846 nan 8.240 nan 0.000 0.509 6 N N 1.350 120.059 118.700 0.015 0.000 2.725 6 N HA -0.161 4.579 4.740 -0.000 0.000 0.251 6 N C -0.826 174.684 175.510 -0.000 0.000 1.031 6 N CA -0.159 52.899 53.050 0.014 0.000 0.720 6 N CB -0.741 37.758 38.487 0.019 0.000 0.930 6 N HN 0.377 nan 8.380 nan 0.000 0.543 7 I N 1.726 122.285 120.570 -0.018 0.000 2.452 7 I HA 0.033 4.203 4.170 -0.000 0.000 0.287 7 I C 1.695 177.785 176.117 -0.045 0.000 1.079 7 I CA 0.025 61.286 61.300 -0.065 0.000 1.387 7 I CB 1.087 39.029 38.000 -0.095 0.000 1.404 7 I HN 0.121 nan 8.210 nan 0.000 0.522 8 R N 5.637 126.122 120.500 -0.024 0.000 2.313 8 R HA 0.118 4.458 4.340 -0.000 0.000 0.199 8 R C -0.155 176.256 176.300 0.186 0.000 0.958 8 R CA 0.326 56.486 56.100 0.099 0.000 1.047 8 R CB -0.824 29.592 30.300 0.193 0.000 0.955 8 R HN 0.806 nan 8.270 nan 0.000 0.481 9 H N -2.732 116.326 119.070 -0.021 0.000 3.114 9 H HA 0.280 4.836 4.556 -0.000 0.000 0.325 9 H C -1.482 173.756 175.328 -0.149 0.000 1.206 9 H CA -0.760 55.240 56.048 -0.079 0.000 1.316 9 H CB 0.392 30.174 29.762 0.033 0.000 1.981 9 H HN -0.131 nan 8.280 nan 0.000 0.527 10 L N 3.138 124.193 121.223 -0.281 0.000 2.404 10 L HA 0.469 4.809 4.340 -0.000 0.000 0.272 10 L C -1.091 175.515 176.870 -0.439 0.000 0.980 10 L CA -0.327 54.348 54.840 -0.275 0.000 0.836 10 L CB 1.747 43.705 42.059 -0.167 0.000 1.238 10 L HN 0.706 nan 8.230 nan 0.000 0.408 11 H N 1.635 120.710 119.070 0.008 0.000 2.894 11 H HA 0.837 5.393 4.556 -0.000 0.000 0.367 11 H C -0.038 175.266 175.328 -0.040 0.000 1.144 11 H CA -0.402 55.650 56.048 0.007 0.000 1.180 11 H CB 2.419 32.210 29.762 0.049 0.000 1.758 11 H HN 0.771 nan 8.280 nan 0.000 0.541 12 G N 0.956 109.802 108.800 0.075 0.000 2.361 12 G HA2 0.182 4.142 3.960 -0.000 0.000 0.305 12 G HA3 0.182 4.142 3.960 -0.000 0.000 0.305 12 G C -1.799 173.074 174.900 -0.045 0.000 1.367 12 G CA -1.021 44.075 45.100 -0.006 0.000 0.951 12 G HN 0.522 nan 8.290 nan 0.000 0.615 13 I N 0.657 121.195 120.570 -0.054 0.000 2.412 13 I HA 0.569 4.739 4.170 -0.000 0.000 0.296 13 I C -0.344 175.717 176.117 -0.093 0.000 0.987 13 I CA -0.967 60.301 61.300 -0.053 0.000 1.180 13 I CB 1.667 39.652 38.000 -0.025 0.000 1.340 13 I HN 0.237 nan 8.210 nan 0.000 0.455 14 I N 5.500 126.013 120.570 -0.096 0.000 2.569 14 I HA 0.367 4.537 4.170 -0.000 0.000 0.290 14 I C -0.356 175.751 176.117 -0.016 0.000 1.088 14 I CA -0.664 60.570 61.300 -0.109 0.000 1.047 14 I CB 2.154 39.987 38.000 -0.278 0.000 1.237 14 I HN 0.554 nan 8.210 nan 0.000 0.421 15 R N 4.763 125.271 120.500 0.013 0.000 2.287 15 R HA 0.433 4.773 4.340 -0.000 0.000 0.316 15 R C -0.157 176.178 176.300 0.059 0.000 1.050 15 R CA -0.575 55.546 56.100 0.035 0.000 0.983 15 R CB 1.496 31.810 30.300 0.024 0.000 1.140 15 R HN 0.521 nan 8.270 nan 0.000 0.528 16 V N 0.963 120.927 119.914 0.084 0.000 2.999 16 V HA 0.221 4.341 4.120 -0.000 0.000 0.307 16 V C -1.576 174.482 176.094 -0.060 0.000 1.084 16 V CA -1.448 60.879 62.300 0.044 0.000 1.155 16 V CB -0.069 31.806 31.823 0.087 0.000 0.975 16 V HN 0.528 nan 8.190 nan 0.000 0.490 17 P HA 0.183 nan 4.420 nan 0.000 0.272 17 P C 0.457 177.695 177.300 -0.104 0.000 1.254 17 P CA 0.302 63.320 63.100 -0.137 0.000 0.795 17 P CB 0.133 31.716 31.700 -0.195 0.000 1.022 18 G N 0.136 108.896 108.800 -0.066 0.000 2.559 18 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.235 18 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.235 18 G C -0.060 174.800 174.900 -0.067 0.000 1.266 18 G CA -0.266 44.803 45.100 -0.051 0.000 0.847 18 G HN 0.619 nan 8.290 nan 0.000 0.583 19 D N 0.789 121.154 120.400 -0.058 0.000 2.401 19 D HA -0.017 4.623 4.640 -0.000 0.000 0.254 19 D C 1.266 177.515 176.300 -0.084 0.000 1.192 19 D CA -0.042 53.916 54.000 -0.070 0.000 0.885 19 D CB 0.746 41.487 40.800 -0.099 0.000 1.147 19 D HN 0.479 nan 8.370 nan 0.000 0.478 20 K N 2.220 122.582 120.400 -0.064 0.000 2.026 20 K HA -0.144 4.176 4.320 -0.000 0.000 0.208 20 K C 1.894 178.477 176.600 -0.027 0.000 1.048 20 K CA 1.181 57.415 56.287 -0.089 0.000 0.929 20 K CB 0.118 32.599 32.500 -0.030 0.000 0.713 20 K HN 0.266 nan 8.250 nan 0.000 0.439 21 S N 0.882 116.597 115.700 0.024 0.000 2.370 21 S HA -0.118 4.352 4.470 -0.000 0.000 0.226 21 S C 1.863 176.473 174.600 0.017 0.000 1.033 21 S CA 1.448 59.695 58.200 0.077 0.000 1.011 21 S CB -0.232 62.987 63.200 0.031 0.000 0.852 21 S HN 0.289 nan 8.310 nan 0.000 0.457 22 I N 1.014 121.497 120.570 -0.145 0.000 2.353 22 I HA -0.114 4.056 4.170 -0.000 0.000 0.248 22 I C 2.372 178.499 176.117 0.016 0.000 1.119 22 I CA 0.691 61.943 61.300 -0.081 0.000 1.417 22 I CB -0.354 37.557 38.000 -0.149 0.000 1.078 22 I HN 0.204 nan 8.210 nan 0.000 0.421 23 S N -0.302 115.380 115.700 -0.029 0.000 2.356 23 S HA -0.231 4.239 4.470 -0.000 0.000 0.223 23 S C 1.892 176.490 174.600 -0.002 0.000 1.032 23 S CA 1.381 59.556 58.200 -0.042 0.000 1.005 23 S CB -0.471 62.654 63.200 -0.125 0.000 0.867 23 S HN 0.498 nan 8.310 nan 0.000 0.449 24 H N 0.844 119.925 119.070 0.019 0.000 2.319 24 H HA -0.022 4.534 4.556 -0.000 0.000 0.297 24 H C 2.474 177.819 175.328 0.029 0.000 1.097 24 H CA 1.599 57.662 56.048 0.026 0.000 1.285 24 H CB 0.047 29.832 29.762 0.038 0.000 1.368 24 H HN 0.218 nan 8.280 nan 0.000 0.495 25 R N 0.155 120.794 120.500 0.232 0.000 2.148 25 R HA -0.097 4.243 4.340 -0.000 0.000 0.227 25 R C 2.627 179.068 176.300 0.235 0.000 1.103 25 R CA 1.156 57.414 56.100 0.263 0.000 0.983 25 R CB -0.084 30.469 30.300 0.421 0.000 0.874 25 R HN 0.367 nan 8.270 nan 0.000 0.451 26 S N 0.881 116.676 115.700 0.158 0.000 2.382 26 S HA -0.104 4.366 4.470 -0.000 0.000 0.228 26 S C 1.991 176.607 174.600 0.027 0.000 1.027 26 S CA 0.851 59.133 58.200 0.137 0.000 0.991 26 S CB -0.168 63.103 63.200 0.118 0.000 0.823 26 S HN 0.090 nan 8.310 nan 0.000 0.469 27 I N 1.974 122.516 120.570 -0.048 0.000 2.233 27 I HA -0.019 4.151 4.170 -0.000 0.000 0.243 27 I C 2.500 178.321 176.117 -0.494 0.000 1.093 27 I CA 0.853 62.041 61.300 -0.188 0.000 1.380 27 I CB -1.232 36.703 38.000 -0.110 0.000 1.067 27 I HN 0.338 nan 8.210 nan 0.000 0.413 28 I N 0.157 120.420 120.570 -0.512 0.000 2.142 28 I HA -0.328 3.842 4.170 -0.000 0.000 0.240 28 I C 2.566 178.244 176.117 -0.732 0.000 1.078 28 I CA 1.678 62.473 61.300 -0.843 0.000 1.343 28 I CB -0.485 37.057 38.000 -0.764 0.000 1.046 28 I HN 0.012 nan 8.210 nan 0.000 0.405 29 F N 0.874 120.510 119.950 -0.522 0.000 2.134 29 F HA -0.134 4.393 4.527 -0.000 0.000 0.299 29 F C 2.591 178.059 175.800 -0.554 0.000 1.097 29 F CA 1.528 59.102 58.000 -0.709 0.000 1.264 29 F CB -1.037 37.077 39.000 -1.475 0.000 1.001 29 F HN 0.042 nan 8.300 nan 0.000 0.479 30 G N -0.986 107.714 108.800 -0.167 0.000 2.442 30 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.219 30 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.219 30 G C 1.794 176.652 174.900 -0.071 0.000 1.141 30 G CA 1.244 46.373 45.100 0.049 0.000 0.763 30 G HN 0.353 nan 8.290 nan 0.000 0.554 31 S N 0.258 115.786 115.700 -0.287 0.000 2.371 31 S HA 0.089 4.559 4.470 -0.000 0.000 0.224 31 S C 2.202 176.715 174.600 -0.144 0.000 1.029 31 S CA 0.497 58.529 58.200 -0.280 0.000 0.978 31 S CB -0.163 62.642 63.200 -0.659 0.000 0.833 31 S HN 0.289 nan 8.310 nan 0.000 0.466 32 L N 1.001 122.111 121.223 -0.188 0.000 2.313 32 L HA 0.134 4.474 4.340 -0.000 0.000 0.214 32 L C 1.314 178.196 176.870 0.020 0.000 1.119 32 L CA -0.027 54.767 54.840 -0.077 0.000 0.809 32 L CB -0.621 41.357 42.059 -0.135 0.000 0.933 32 L HN 0.204 nan 8.230 nan 0.000 0.449 33 A N 0.329 123.187 122.820 0.064 0.000 2.280 33 A HA 0.296 4.616 4.320 -0.000 0.000 0.268 33 A C 0.058 177.712 177.584 0.116 0.000 1.111 33 A CA -0.310 51.822 52.037 0.159 0.000 0.814 33 A CB 0.293 19.491 19.000 0.329 0.000 1.093 33 A HN 0.206 nan 8.150 nan 0.000 0.498 34 E N -0.504 119.767 120.200 0.119 0.000 2.204 34 E HA 0.519 4.869 4.350 -0.000 0.000 0.276 34 E C 0.280 176.929 176.600 0.081 0.000 0.974 34 E CA 0.200 56.651 56.400 0.084 0.000 0.815 34 E CB 1.499 31.242 29.700 0.073 0.000 1.119 34 E HN 1.377 nan 8.360 nan 0.000 0.393 35 G N 2.158 110.995 108.800 0.062 0.000 2.610 35 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.304 35 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.304 35 G C -0.792 174.141 174.900 0.055 0.000 1.309 35 G CA -0.589 44.541 45.100 0.051 0.000 0.906 35 G HN 0.612 nan 8.290 nan 0.000 0.521 36 E N -0.626 119.599 120.200 0.043 0.000 2.266 36 E HA 0.645 4.995 4.350 -0.000 0.000 0.277 36 E C -0.396 176.234 176.600 0.050 0.000 1.018 36 E CA -0.322 56.102 56.400 0.041 0.000 0.840 36 E CB 1.042 30.758 29.700 0.027 0.000 1.082 36 E HN 0.494 nan 8.360 nan 0.000 0.395 37 T N 4.184 118.776 114.554 0.063 0.000 2.841 37 T HA 0.389 4.739 4.350 -0.000 0.000 0.283 37 T C -0.954 173.768 174.700 0.037 0.000 1.000 37 T CA -0.750 61.400 62.100 0.084 0.000 0.977 37 T CB 1.148 70.138 68.868 0.203 0.000 0.979 37 T HN 0.332 nan 8.240 nan 0.000 0.446 38 K N 2.241 122.658 120.400 0.028 0.000 2.376 38 K HA 0.664 4.984 4.320 -0.000 0.000 0.257 38 K C -1.215 175.327 176.600 -0.097 0.000 0.939 38 K CA -0.771 55.467 56.287 -0.082 0.000 0.809 38 K CB 2.256 34.713 32.500 -0.072 0.000 1.121 38 K HN 0.284 nan 8.250 nan 0.000 0.425 39 V N 4.056 123.840 119.914 -0.217 0.000 2.417 39 V HA 0.355 4.475 4.120 -0.000 0.000 0.291 39 V C -1.029 174.891 176.094 -0.290 0.000 1.024 39 V CA -0.871 61.363 62.300 -0.111 0.000 0.861 39 V CB 0.522 32.325 31.823 -0.032 0.000 0.985 39 V HN 0.579 nan 8.190 nan 0.000 0.436 40 Y N 2.063 122.368 120.300 0.008 0.000 2.387 40 Y HA 0.434 4.984 4.550 -0.000 0.000 0.336 40 Y C 0.855 176.755 175.900 -0.001 0.000 1.067 40 Y CA -0.944 57.157 58.100 0.002 0.000 1.114 40 Y CB 1.167 39.626 38.460 -0.002 0.000 1.208 40 Y HN 0.774 nan 8.280 nan 0.000 0.458 41 D N 0.779 121.254 120.400 0.124 0.000 2.837 41 D HA -0.257 4.383 4.640 -0.000 0.000 0.230 41 D C -0.143 176.174 176.300 0.028 0.000 1.152 41 D CA 0.599 54.639 54.000 0.068 0.000 0.736 41 D CB -1.024 39.819 40.800 0.072 0.000 1.084 41 D HN 0.530 nan 8.370 nan 0.000 0.429 42 I N 0.653 121.226 120.570 0.006 0.000 2.754 42 I HA -0.042 4.128 4.170 -0.000 0.000 0.285 42 I C 0.703 176.801 176.117 -0.031 0.000 1.166 42 I CA -0.303 60.986 61.300 -0.019 0.000 1.417 42 I CB 0.591 38.570 38.000 -0.035 0.000 1.382 42 I HN 0.035 nan 8.210 nan 0.000 0.588 43 L N 8.130 129.320 121.223 -0.055 0.000 2.360 43 L HA 0.222 4.562 4.340 -0.000 0.000 0.276 43 L C 0.271 177.102 176.870 -0.065 0.000 1.121 43 L CA 0.235 55.036 54.840 -0.066 0.000 0.845 43 L CB 0.501 42.501 42.059 -0.098 0.000 1.143 43 L HN 0.757 nan 8.230 nan 0.000 0.452 44 R N 3.844 124.322 120.500 -0.035 0.000 2.586 44 R HA 0.213 4.553 4.340 -0.000 0.000 0.306 44 R C 0.730 177.019 176.300 -0.018 0.000 1.079 44 R CA -0.142 55.943 56.100 -0.026 0.000 1.083 44 R CB 0.427 30.724 30.300 -0.005 0.000 1.306 44 R HN 0.838 nan 8.270 nan 0.000 0.567 45 G N 0.517 109.296 108.800 -0.035 0.000 2.636 45 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.246 45 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.246 45 G C 0.767 175.645 174.900 -0.036 0.000 1.216 45 G CA -0.469 44.616 45.100 -0.024 0.000 0.854 45 G HN 0.134 nan 8.290 nan 0.000 0.572 46 E N 0.595 120.781 120.200 -0.023 0.000 2.130 46 E HA -0.145 4.205 4.350 -0.000 0.000 0.196 46 E C 1.893 178.481 176.600 -0.020 0.000 0.998 46 E CA 1.402 57.791 56.400 -0.018 0.000 0.806 46 E CB -0.071 29.622 29.700 -0.012 0.000 0.738 46 E HN 0.527 nan 8.360 nan 0.000 0.459 47 D N 0.150 120.531 120.400 -0.031 0.000 2.117 47 D HA -0.106 4.534 4.640 -0.000 0.000 0.197 47 D C 2.076 178.419 176.300 0.072 0.000 0.987 47 D CA 0.696 54.720 54.000 0.040 0.000 0.829 47 D CB -0.139 40.703 40.800 0.070 0.000 0.961 47 D HN 0.022 nan 8.370 nan 0.000 0.460 48 V N 0.760 120.597 119.914 -0.129 0.000 2.548 48 V HA -0.145 3.975 4.120 -0.000 0.000 0.249 48 V C 2.501 178.580 176.094 -0.025 0.000 1.055 48 V CA 0.845 63.032 62.300 -0.188 0.000 1.065 48 V CB -0.350 31.315 31.823 -0.264 0.000 0.681 48 V HN 0.227 nan 8.190 nan 0.000 0.462 49 L N -0.310 120.901 121.223 -0.020 0.000 2.083 49 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 49 L C 2.626 179.507 176.870 0.018 0.000 1.083 49 L CA 1.461 56.301 54.840 0.000 0.000 0.752 49 L CB -0.624 41.433 42.059 -0.004 0.000 0.899 49 L HN 0.315 nan 8.230 nan 0.000 0.433 50 S N -0.762 114.950 115.700 0.021 0.000 2.368 50 S HA -0.180 4.290 4.470 -0.000 0.000 0.225 50 S C 2.017 176.634 174.600 0.028 0.000 1.030 50 S CA 1.862 60.065 58.200 0.006 0.000 0.999 50 S CB -0.267 62.928 63.200 -0.009 0.000 0.844 50 S HN 0.426 nan 8.310 nan 0.000 0.459 51 T N 2.352 116.968 114.554 0.103 0.000 2.746 51 T HA -0.023 4.327 4.350 -0.000 0.000 0.267 51 T C 1.834 176.653 174.700 0.199 0.000 1.039 51 T CA 1.236 63.435 62.100 0.167 0.000 1.142 51 T CB -0.305 68.753 68.868 0.317 0.000 0.866 51 T HN 0.303 nan 8.240 nan 0.000 0.444 52 M N 0.599 120.280 119.600 0.134 0.000 2.086 52 M HA -0.148 4.332 4.480 -0.000 0.000 0.261 52 M C 2.587 178.950 176.300 0.105 0.000 1.067 52 M CA 1.567 56.938 55.300 0.120 0.000 1.116 52 M CB -0.319 32.313 32.600 0.053 0.000 1.348 52 M HN 0.097 nan 8.290 nan 0.000 0.407 53 Q N 0.306 120.137 119.800 0.051 0.000 2.124 53 Q HA -0.104 4.236 4.340 -0.000 0.000 0.202 53 Q C 1.760 177.758 176.000 -0.003 0.000 0.977 53 Q CA 1.538 57.354 55.803 0.021 0.000 0.850 53 Q CB -0.472 28.266 28.738 -0.000 0.000 0.901 53 Q HN 0.366 nan 8.270 nan 0.000 0.429 54 V N 0.036 119.928 119.914 -0.037 0.000 2.255 54 V HA -0.255 3.865 4.120 -0.000 0.000 0.247 54 V C 1.884 177.855 176.094 -0.205 0.000 1.051 54 V CA 2.052 64.259 62.300 -0.156 0.000 1.018 54 V CB -0.633 31.035 31.823 -0.258 0.000 0.641 54 V HN 0.353 nan 8.190 nan 0.000 0.445 55 F N -0.140 119.785 119.950 -0.042 0.000 2.293 55 F HA -0.087 4.440 4.527 -0.000 0.000 0.300 55 F C 2.566 178.349 175.800 -0.028 0.000 1.086 55 F CA 1.304 59.280 58.000 -0.040 0.000 1.375 55 F CB -0.322 38.647 39.000 -0.051 0.000 1.045 55 F HN -0.021 nan 8.300 nan 0.000 0.516 56 R N 0.168 120.738 120.500 0.117 0.000 2.075 56 R HA -0.146 4.194 4.340 -0.000 0.000 0.232 56 R C 1.611 177.923 176.300 0.019 0.000 1.126 56 R CA 1.583 57.721 56.100 0.062 0.000 0.963 56 R CB -0.488 29.837 30.300 0.042 0.000 0.858 56 R HN 0.208 nan 8.270 nan 0.000 0.435 57 D N 0.400 120.793 120.400 -0.012 0.000 2.219 57 D HA -0.105 4.535 4.640 -0.000 0.000 0.205 57 D C 1.197 177.464 176.300 -0.056 0.000 0.970 57 D CA 0.830 54.808 54.000 -0.037 0.000 0.851 57 D CB 0.089 40.859 40.800 -0.051 0.000 0.943 57 D HN 0.035 nan 8.370 nan 0.000 0.488 58 L N -0.524 120.666 121.223 -0.054 0.000 2.612 58 L HA 0.249 4.589 4.340 -0.000 0.000 0.230 58 L C 1.583 178.455 176.870 0.004 0.000 1.140 58 L CA 0.423 55.235 54.840 -0.047 0.000 0.896 58 L CB -0.466 41.550 42.059 -0.072 0.000 1.065 58 L HN 0.163 nan 8.230 nan 0.000 0.447 59 G N -1.182 107.623 108.800 0.008 0.000 2.141 59 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.231 59 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.231 59 G C 0.222 175.150 174.900 0.047 0.000 0.984 59 G CA 0.131 45.242 45.100 0.017 0.000 0.660 59 G HN 0.113 nan 8.290 nan 0.000 0.525 60 V N 0.893 120.856 119.914 0.082 0.000 2.432 60 V HA 0.444 4.564 4.120 -0.000 0.000 0.275 60 V C 0.733 176.861 176.094 0.058 0.000 1.043 60 V CA -0.435 61.917 62.300 0.086 0.000 0.925 60 V CB 1.746 33.656 31.823 0.144 0.000 0.985 60 V HN 0.426 nan 8.190 nan 0.000 0.466 61 E N 5.177 125.399 120.200 0.037 0.000 2.217 61 E HA 0.375 4.725 4.350 -0.000 0.000 0.279 61 E C -0.993 175.618 176.600 0.018 0.000 1.068 61 E CA -0.180 56.234 56.400 0.024 0.000 0.882 61 E CB 0.470 30.180 29.700 0.017 0.000 1.039 61 E HN 0.619 nan 8.360 nan 0.000 0.418 62 I N 4.817 125.397 120.570 0.017 0.000 2.476 62 I HA 0.192 4.362 4.170 -0.000 0.000 0.281 62 I C -0.404 175.712 176.117 -0.001 0.000 1.040 62 I CA -0.526 60.778 61.300 0.006 0.000 1.094 62 I CB 1.651 39.660 38.000 0.017 0.000 1.219 62 I HN 0.531 nan 8.210 nan 0.000 0.450 63 E N 5.482 125.675 120.200 -0.012 0.000 2.156 63 E HA 0.166 4.516 4.350 -0.000 0.000 0.279 63 E C -1.228 175.354 176.600 -0.029 0.000 0.965 63 E CA -0.543 55.848 56.400 -0.016 0.000 0.789 63 E CB 1.531 31.223 29.700 -0.015 0.000 1.098 63 E HN 0.416 nan 8.360 nan 0.000 0.397 64 D N 5.017 125.403 120.400 -0.024 0.000 2.473 64 D HA 0.189 4.829 4.640 -0.000 0.000 0.226 64 D C -1.193 175.092 176.300 -0.026 0.000 1.089 64 D CA -0.270 53.711 54.000 -0.031 0.000 0.883 64 D CB 0.362 41.150 40.800 -0.021 0.000 1.029 64 D HN 0.262 nan 8.370 nan 0.000 0.517 65 K N 2.985 123.364 120.400 -0.034 0.000 2.471 65 K HA 0.237 4.557 4.320 -0.000 0.000 0.252 65 K C -0.769 175.818 176.600 -0.021 0.000 0.938 65 K CA -0.506 55.768 56.287 -0.022 0.000 0.796 65 K CB 0.895 33.384 32.500 -0.018 0.000 1.161 65 K HN 0.160 nan 8.250 nan 0.000 0.425 66 D N 3.429 123.824 120.400 -0.008 0.000 2.708 66 D HA -0.201 4.439 4.640 -0.000 0.000 0.236 66 D C 0.660 176.961 176.300 0.001 0.000 1.146 66 D CA 1.760 55.761 54.000 0.002 0.000 0.662 66 D CB -1.119 39.687 40.800 0.009 0.000 1.059 66 D HN 1.111 nan 8.370 nan 0.000 0.428 67 G N -2.251 106.543 108.800 -0.009 0.000 2.179 67 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.260 67 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.260 67 G C 0.365 175.233 174.900 -0.052 0.000 0.977 67 G CA 0.377 45.470 45.100 -0.011 0.000 0.641 67 G HN 0.617 nan 8.290 nan 0.000 0.533 68 V N 2.436 122.294 119.914 -0.093 0.000 2.435 68 V HA 0.604 4.724 4.120 -0.000 0.000 0.290 68 V C 0.322 176.303 176.094 -0.188 0.000 1.030 68 V CA -1.128 61.037 62.300 -0.224 0.000 0.881 68 V CB 1.786 33.448 31.823 -0.268 0.000 0.983 68 V HN 0.209 nan 8.190 nan 0.000 0.445 69 I N 3.669 124.106 120.570 -0.222 0.000 2.315 69 I HA 0.396 4.565 4.170 -0.000 0.000 0.291 69 I C 0.397 176.428 176.117 -0.143 0.000 1.006 69 I CA 0.080 61.298 61.300 -0.138 0.000 1.265 69 I CB 1.133 39.073 38.000 -0.100 0.000 1.387 69 I HN 0.572 nan 8.210 nan 0.000 0.475 70 T N 6.076 120.576 114.554 -0.089 0.000 2.791 70 T HA 0.521 4.871 4.350 -0.000 0.000 0.288 70 T C -0.078 174.605 174.700 -0.029 0.000 0.999 70 T CA -0.433 61.630 62.100 -0.062 0.000 0.952 70 T CB 1.731 70.569 68.868 -0.049 0.000 0.938 70 T HN 0.211 nan 8.240 nan 0.000 0.444 71 V N 4.396 124.301 119.914 -0.014 0.000 2.435 71 V HA 0.364 4.484 4.120 -0.000 0.000 0.290 71 V C -0.226 175.875 176.094 0.011 0.000 1.030 71 V CA -0.953 61.344 62.300 -0.006 0.000 0.881 71 V CB 1.753 33.566 31.823 -0.017 0.000 0.983 71 V HN 0.703 nan 8.190 nan 0.000 0.445 72 Q N 3.444 123.251 119.800 0.012 0.000 2.441 72 Q HA 0.334 4.674 4.340 -0.000 0.000 0.234 72 Q C 0.575 176.589 176.000 0.024 0.000 1.078 72 Q CA -0.066 55.749 55.803 0.021 0.000 0.907 72 Q CB 1.311 30.061 28.738 0.019 0.000 1.269 72 Q HN 0.920 nan 8.270 nan 0.000 0.502 73 G N 0.722 109.543 108.800 0.034 0.000 2.484 73 G HA2 0.200 4.160 3.960 -0.000 0.000 0.235 73 G HA3 0.200 4.160 3.960 -0.000 0.000 0.235 73 G C 0.877 175.800 174.900 0.038 0.000 1.282 73 G CA -0.201 44.921 45.100 0.035 0.000 0.857 73 G HN 0.495 nan 8.290 nan 0.000 0.571 74 V N -0.182 119.755 119.914 0.038 0.000 3.578 74 V HA 0.565 4.685 4.120 -0.000 0.000 0.290 74 V C 1.625 177.749 176.094 0.050 0.000 1.376 74 V CA 0.732 63.060 62.300 0.047 0.000 1.083 74 V CB -0.281 31.577 31.823 0.058 0.000 0.911 74 V HN 2.004 nan 8.190 nan 0.000 0.433 75 G N -0.023 108.808 108.800 0.051 0.000 2.176 75 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.232 75 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.232 75 G C 0.478 175.412 174.900 0.056 0.000 0.986 75 G CA 0.480 45.614 45.100 0.056 0.000 0.643 75 G HN 1.175 nan 8.290 nan 0.000 0.522 76 M N -2.925 116.703 119.600 0.048 0.000 3.041 76 M HA -0.089 4.391 4.480 -0.000 0.000 0.219 76 M C 1.035 177.360 176.300 0.042 0.000 0.564 76 M CA 2.568 57.894 55.300 0.044 0.000 0.839 76 M CB -1.316 31.317 32.600 0.056 0.000 2.987 76 M HN 1.959 nan 8.290 nan 0.000 0.299 77 A N -0.493 122.355 122.820 0.048 0.000 2.594 77 A HA 0.809 5.129 4.320 -0.000 0.000 0.292 77 A C 1.145 178.767 177.584 0.064 0.000 1.026 77 A CA 0.319 52.384 52.037 0.048 0.000 0.983 77 A CB -0.299 18.725 19.000 0.040 0.000 1.233 77 A HN 0.947 nan 8.150 nan 0.000 0.519 78 G N -0.409 108.433 108.800 0.070 0.000 3.233 78 G HA2 0.414 4.373 3.960 -0.000 0.000 0.234 78 G HA3 0.414 4.373 3.960 -0.000 0.000 0.234 78 G C 0.152 175.111 174.900 0.098 0.000 1.137 78 G CA -0.009 45.136 45.100 0.076 0.000 0.763 78 G HN 0.262 nan 8.290 nan 0.000 0.549 79 L N 1.101 122.401 121.223 0.129 0.000 2.426 79 L HA 0.389 4.729 4.340 -0.000 0.000 0.271 79 L C 0.265 177.261 176.870 0.209 0.000 1.169 79 L CA 0.098 55.038 54.840 0.168 0.000 0.836 79 L CB 1.048 43.219 42.059 0.188 0.000 1.112 79 L HN 0.049 nan 8.230 nan 0.000 0.465 80 K N 1.808 122.259 120.400 0.086 0.000 2.318 80 K HA 0.735 5.055 4.320 -0.000 0.000 0.249 80 K C -0.548 175.758 176.600 -0.489 0.000 0.942 80 K CA -0.962 55.259 56.287 -0.110 0.000 0.808 80 K CB 1.608 34.051 32.500 -0.095 0.000 1.189 80 K HN 0.669 nan 8.250 nan 0.000 0.428 81 A N 3.500 125.645 122.820 -1.127 0.000 2.567 81 A HA 0.134 4.454 4.320 -0.000 0.000 0.240 81 A C -1.925 175.352 177.584 -0.511 0.000 1.053 81 A CA -0.493 50.752 52.037 -1.320 0.000 0.755 81 A CB -0.700 17.659 19.000 -1.067 0.000 0.978 81 A HN 0.444 nan 8.150 nan 0.000 0.507 82 P HA 0.149 nan 4.420 nan 0.000 0.281 82 P C 0.333 177.561 177.300 -0.121 0.000 1.249 82 P CA -0.398 62.606 63.100 -0.160 0.000 0.810 82 P CB 1.055 32.699 31.700 -0.094 0.000 1.008 83 Q N 1.808 121.559 119.800 -0.081 0.000 2.084 83 Q HA -0.067 4.273 4.340 -0.000 0.000 0.202 83 Q C -0.014 175.965 176.000 -0.035 0.000 0.978 83 Q CA 1.747 57.515 55.803 -0.057 0.000 0.844 83 Q CB -0.685 28.029 28.738 -0.041 0.000 0.898 83 Q HN 0.414 nan 8.270 nan 0.000 0.426 84 N N -0.135 118.556 118.700 -0.014 0.000 2.653 84 N HA 0.577 5.317 4.740 -0.000 0.000 0.294 84 N C -0.961 174.579 175.510 0.050 0.000 1.305 84 N CA -0.111 52.948 53.050 0.015 0.000 0.827 84 N CB 1.137 39.643 38.487 0.033 0.000 1.415 84 N HN 0.290 nan 8.380 nan 0.000 0.546 85 A N 0.366 123.249 122.820 0.105 0.000 2.466 85 A HA 0.334 4.654 4.320 -0.000 0.000 0.238 85 A C 0.138 177.875 177.584 0.256 0.000 1.074 85 A CA -0.076 52.083 52.037 0.203 0.000 0.774 85 A CB -0.248 18.910 19.000 0.264 0.000 1.015 85 A HN 0.520 nan 8.150 nan 0.000 0.498 86 L N 1.942 123.247 121.223 0.137 0.000 2.290 86 L HA 0.196 4.536 4.340 -0.000 0.000 0.284 86 L C 0.402 177.071 176.870 -0.334 0.000 1.078 86 L CA -0.488 54.320 54.840 -0.052 0.000 0.815 86 L CB 0.466 42.463 42.059 -0.104 0.000 1.162 86 L HN 0.703 nan 8.230 nan 0.000 0.435 87 N N 4.252 122.671 118.700 -0.468 0.000 2.500 87 N HA 0.177 4.917 4.740 -0.000 0.000 0.236 87 N C 0.475 175.671 175.510 -0.523 0.000 1.022 87 N CA -0.340 52.156 53.050 -0.923 0.000 0.935 87 N CB 0.968 39.151 38.487 -0.507 0.000 1.147 87 N HN 0.541 nan 8.380 nan 0.000 0.512 88 M N 1.612 120.904 119.600 -0.514 0.000 2.595 88 M HA 0.143 4.623 4.480 -0.000 0.000 0.248 88 M C 1.455 177.636 176.300 -0.197 0.000 1.119 88 M CA 0.202 55.337 55.300 -0.274 0.000 1.079 88 M CB -1.428 31.041 32.600 -0.218 0.000 1.472 88 M HN 0.626 nan 8.290 nan 0.000 0.501 89 G N 2.419 111.080 108.800 -0.233 0.000 2.651 89 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.315 89 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.315 89 G C 0.738 175.598 174.900 -0.066 0.000 1.258 89 G CA 0.679 45.709 45.100 -0.117 0.000 1.002 89 G HN 0.498 nan 8.290 nan 0.000 0.551 90 N N 0.946 119.623 118.700 -0.038 0.000 2.373 90 N HA 0.026 4.766 4.740 -0.000 0.000 0.181 90 N C 1.051 176.547 175.510 -0.023 0.000 1.082 90 N CA 1.176 54.214 53.050 -0.020 0.000 0.885 90 N CB 0.030 38.508 38.487 -0.015 0.000 0.977 90 N HN 0.535 nan 8.380 nan 0.000 0.462 91 S N 0.081 115.763 115.700 -0.030 0.000 2.465 91 S HA 0.237 4.707 4.470 -0.000 0.000 0.307 91 S C 1.307 175.866 174.600 -0.069 0.000 1.187 91 S CA -0.260 57.922 58.200 -0.030 0.000 1.141 91 S CB 0.183 63.383 63.200 0.000 0.000 1.108 91 S HN 0.414 nan 8.310 nan 0.000 0.525 92 G N 3.806 112.580 108.800 -0.043 0.000 2.408 92 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.217 92 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.217 92 G C 1.373 176.223 174.900 -0.083 0.000 1.150 92 G CA 1.113 46.187 45.100 -0.044 0.000 0.776 92 G HN 0.674 nan 8.290 nan 0.000 0.542 93 T N 1.426 115.902 114.554 -0.131 0.000 2.684 93 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 93 T C 2.855 177.383 174.700 -0.286 0.000 1.036 93 T CA 1.626 63.596 62.100 -0.215 0.000 1.148 93 T CB -0.296 68.358 68.868 -0.356 0.000 0.863 93 T HN 0.281 nan 8.240 nan 0.000 0.436 94 S N 1.082 116.563 115.700 -0.365 0.000 2.351 94 S HA -0.034 4.436 4.470 -0.000 0.000 0.220 94 S C 2.023 176.526 174.600 -0.161 0.000 1.035 94 S CA 1.104 59.151 58.200 -0.255 0.000 1.031 94 S CB -0.514 62.581 63.200 -0.175 0.000 0.928 94 S HN 0.454 nan 8.310 nan 0.000 0.433 95 I N 1.339 121.828 120.570 -0.135 0.000 2.286 95 I HA -0.206 3.964 4.170 -0.000 0.000 0.248 95 I C 2.494 178.561 176.117 -0.082 0.000 1.115 95 I CA 1.267 62.502 61.300 -0.108 0.000 1.392 95 I CB -0.015 37.931 38.000 -0.089 0.000 1.065 95 I HN 0.186 nan 8.210 nan 0.000 0.418 96 R N 0.264 120.724 120.500 -0.067 0.000 2.062 96 R HA -0.058 4.282 4.340 -0.000 0.000 0.229 96 R C 2.238 178.527 176.300 -0.018 0.000 1.128 96 R CA 1.262 57.340 56.100 -0.037 0.000 0.960 96 R CB -0.377 29.911 30.300 -0.020 0.000 0.855 96 R HN 0.383 nan 8.270 nan 0.000 0.432 97 L N 0.525 121.739 121.223 -0.015 0.000 2.109 97 L HA -0.079 4.261 4.340 -0.000 0.000 0.207 97 L C 2.350 179.198 176.870 -0.037 0.000 1.086 97 L CA 1.108 55.978 54.840 0.050 0.000 0.760 97 L CB -0.432 41.676 42.059 0.083 0.000 0.910 97 L HN 0.156 nan 8.230 nan 0.000 0.437 98 I N -0.683 119.827 120.570 -0.101 0.000 2.830 98 I HA -0.180 3.990 4.170 -0.000 0.000 0.263 98 I C 2.492 178.536 176.117 -0.121 0.000 1.230 98 I CA 0.526 61.736 61.300 -0.149 0.000 1.480 98 I CB -0.144 37.731 38.000 -0.209 0.000 1.095 98 I HN 0.152 nan 8.210 nan 0.000 0.455 99 S N 0.846 116.497 115.700 -0.082 0.000 2.383 99 S HA -0.098 4.372 4.470 -0.000 0.000 0.227 99 S C 2.115 176.683 174.600 -0.054 0.000 1.026 99 S CA 1.469 59.627 58.200 -0.069 0.000 0.981 99 S CB -0.391 62.777 63.200 -0.054 0.000 0.818 99 S HN 0.636 nan 8.310 nan 0.000 0.472 100 G N 0.729 109.520 108.800 -0.014 0.000 2.430 100 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.216 100 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.216 100 G C 1.411 176.323 174.900 0.019 0.000 1.146 100 G CA 0.591 45.706 45.100 0.025 0.000 0.793 100 G HN 0.406 nan 8.290 nan 0.000 0.537 101 V N 1.027 120.918 119.914 -0.039 0.000 2.407 101 V HA -0.069 4.051 4.120 -0.000 0.000 0.248 101 V C 2.550 178.596 176.094 -0.079 0.000 1.055 101 V CA 1.213 63.452 62.300 -0.101 0.000 1.049 101 V CB -0.279 31.429 31.823 -0.191 0.000 0.662 101 V HN 0.331 nan 8.190 nan 0.000 0.455 102 L N 0.056 121.216 121.223 -0.105 0.000 2.612 102 L HA 0.164 4.504 4.340 -0.000 0.000 0.230 102 L C 2.388 179.161 176.870 -0.161 0.000 1.140 102 L CA 0.442 55.196 54.840 -0.144 0.000 0.896 102 L CB -0.638 41.325 42.059 -0.160 0.000 1.065 102 L HN 0.302 nan 8.230 nan 0.000 0.447 103 A N 0.593 123.351 122.820 -0.104 0.000 1.978 103 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 103 A C 2.134 179.651 177.584 -0.112 0.000 1.170 103 A CA 1.802 53.782 52.037 -0.095 0.000 0.636 103 A CB -0.636 18.332 19.000 -0.054 0.000 0.810 103 A HN 0.448 nan 8.150 nan 0.000 0.448 104 G N -1.311 107.424 108.800 -0.108 0.000 3.189 104 G HA2 0.437 4.397 3.960 -0.000 0.000 0.225 104 G HA3 0.437 4.397 3.960 -0.000 0.000 0.225 104 G C 0.478 175.277 174.900 -0.167 0.000 1.159 104 G CA 0.500 45.539 45.100 -0.103 0.000 0.763 104 G HN 0.740 nan 8.290 nan 0.000 0.549 105 A N 0.613 123.247 122.820 -0.309 0.000 2.454 105 A HA 0.392 4.712 4.320 -0.000 0.000 0.260 105 A C -0.064 177.156 177.584 -0.608 0.000 1.106 105 A CA -0.194 51.468 52.037 -0.624 0.000 0.780 105 A CB 0.384 18.679 19.000 -1.176 0.000 1.044 105 A HN 0.098 nan 8.150 nan 0.000 0.498 106 D N 2.477 122.663 120.400 -0.357 0.000 2.896 106 D HA 0.474 5.114 4.640 -0.000 0.000 0.240 106 D C -0.776 175.567 176.300 0.073 0.000 1.193 106 D CA 0.386 54.324 54.000 -0.104 0.000 0.983 106 D CB -0.827 39.993 40.800 0.034 0.000 1.074 106 D HN 0.396 nan 8.370 nan 0.000 0.496 107 F N -1.583 118.359 119.950 -0.014 0.000 2.878 107 F HA 0.386 4.913 4.527 -0.000 0.000 0.322 107 F C -1.263 174.526 175.800 -0.019 0.000 1.154 107 F CA -1.362 56.629 58.000 -0.015 0.000 0.896 107 F CB 0.774 39.764 39.000 -0.017 0.000 1.313 107 F HN -0.161 nan 8.300 nan 0.000 0.451 108 E N 1.473 121.826 120.200 0.254 0.000 2.166 108 E HA 0.681 5.031 4.350 -0.000 0.000 0.275 108 E C -1.979 174.753 176.600 0.220 0.000 0.941 108 E CA -0.974 55.508 56.400 0.137 0.000 0.784 108 E CB 2.382 32.124 29.700 0.069 0.000 1.115 108 E HN 0.753 nan 8.360 nan 0.000 0.399 109 V N 3.282 123.294 119.914 0.163 0.000 3.040 109 V HA 0.432 4.552 4.120 -0.000 0.000 0.312 109 V C -1.266 174.877 176.094 0.081 0.000 1.115 109 V CA -0.603 61.788 62.300 0.152 0.000 0.998 109 V CB 2.108 34.065 31.823 0.223 0.000 1.042 109 V HN 0.857 nan 8.190 nan 0.000 0.433 110 E N 4.020 124.268 120.200 0.082 0.000 2.179 110 E HA 0.616 4.966 4.350 -0.000 0.000 0.275 110 E C -1.270 175.407 176.600 0.127 0.000 0.945 110 E CA -0.679 55.774 56.400 0.089 0.000 0.792 110 E CB 1.617 31.366 29.700 0.082 0.000 1.125 110 E HN 0.697 nan 8.360 nan 0.000 0.397 111 M N 5.159 124.827 119.600 0.113 0.000 2.197 111 M HA 0.392 4.871 4.480 -0.000 0.000 0.301 111 M C -1.162 175.223 176.300 0.143 0.000 0.987 111 M CA -0.911 54.431 55.300 0.071 0.000 0.921 111 M CB 1.114 33.699 32.600 -0.025 0.000 1.569 111 M HN 0.412 nan 8.290 nan 0.000 0.431 112 F N 0.364 120.298 119.950 -0.027 0.000 2.611 112 F HA 1.068 5.595 4.527 -0.000 0.000 0.324 112 F C -0.243 175.545 175.800 -0.019 0.000 1.061 112 F CA -0.976 57.012 58.000 -0.020 0.000 0.954 112 F CB 1.267 40.258 39.000 -0.016 0.000 1.301 112 F HN 0.538 nan 8.300 nan 0.000 0.482 113 G N -0.055 108.772 108.800 0.046 0.000 2.949 113 G HA2 0.497 4.457 3.960 -0.000 0.000 0.285 113 G HA3 0.497 4.457 3.960 -0.000 0.000 0.285 113 G C -1.742 173.207 174.900 0.081 0.000 1.395 113 G CA -0.657 44.413 45.100 -0.050 0.000 0.901 113 G HN 0.903 nan 8.290 nan 0.000 0.519 114 D N -1.195 119.229 120.400 0.040 0.000 2.398 114 D HA 0.133 4.773 4.640 -0.000 0.000 0.264 114 D C 1.263 177.600 176.300 0.063 0.000 1.263 114 D CA 0.236 54.278 54.000 0.068 0.000 1.037 114 D CB 0.259 41.087 40.800 0.046 0.000 1.101 114 D HN 0.354 nan 8.370 nan 0.000 0.551 115 D N -0.800 119.635 120.400 0.059 0.000 2.123 115 D HA -0.256 4.384 4.640 -0.000 0.000 0.196 115 D C 1.822 178.146 176.300 0.039 0.000 0.992 115 D CA 2.189 56.218 54.000 0.048 0.000 0.833 115 D CB -0.918 39.911 40.800 0.048 0.000 0.954 115 D HN 0.305 nan 8.370 nan 0.000 0.455 116 S N -0.391 115.335 115.700 0.043 0.000 2.345 116 S HA -0.074 4.396 4.470 -0.000 0.000 0.220 116 S C 2.087 176.704 174.600 0.028 0.000 1.031 116 S CA 0.726 58.950 58.200 0.039 0.000 0.996 116 S CB -0.635 62.598 63.200 0.054 0.000 0.882 116 S HN 0.360 nan 8.310 nan 0.000 0.445 117 L N 1.262 122.499 121.223 0.024 0.000 2.079 117 L HA -0.079 4.261 4.340 -0.000 0.000 0.210 117 L C 2.179 179.058 176.870 0.016 0.000 1.081 117 L CA 1.613 56.460 54.840 0.013 0.000 0.752 117 L CB -0.564 41.492 42.059 -0.004 0.000 0.896 117 L HN 0.361 nan 8.230 nan 0.000 0.433 118 S N -0.527 115.189 115.700 0.027 0.000 2.547 118 S HA -0.116 4.354 4.470 -0.000 0.000 0.235 118 S C 1.485 176.095 174.600 0.018 0.000 0.980 118 S CA 0.809 59.027 58.200 0.030 0.000 0.941 118 S CB -0.082 63.144 63.200 0.043 0.000 0.763 118 S HN 0.432 nan 8.310 nan 0.000 0.532 119 K N 0.509 120.916 120.400 0.013 0.000 2.374 119 K HA 0.173 4.493 4.320 -0.000 0.000 0.196 119 K C 0.144 176.747 176.600 0.004 0.000 1.023 119 K CA 0.077 56.367 56.287 0.004 0.000 1.103 119 K CB 0.441 32.939 32.500 -0.003 0.000 0.848 119 K HN 0.186 nan 8.250 nan 0.000 0.528 120 R N 2.160 122.665 120.500 0.007 0.000 2.407 120 R HA 0.211 4.551 4.340 -0.000 0.000 0.303 120 R C -2.557 173.746 176.300 0.005 0.000 0.981 120 R CA -2.090 54.014 56.100 0.007 0.000 0.905 120 R CB 0.711 31.016 30.300 0.009 0.000 1.099 120 R HN -0.062 nan 8.270 nan 0.000 0.459 121 P HA -0.002 nan 4.420 nan 0.000 0.271 121 P C -0.224 177.077 177.300 0.002 0.000 1.220 121 P CA 0.137 63.240 63.100 0.004 0.000 0.768 121 P CB 0.891 32.595 31.700 0.006 0.000 0.848 122 M N 1.666 121.265 119.600 -0.002 0.000 2.313 122 M HA 0.021 4.501 4.480 -0.000 0.000 0.273 122 M C 1.149 177.443 176.300 -0.010 0.000 1.049 122 M CA 0.337 55.633 55.300 -0.008 0.000 1.004 122 M CB -0.792 31.801 32.600 -0.012 0.000 1.461 122 M HN 0.316 nan 8.290 nan 0.000 0.514 123 D N 1.692 122.090 120.400 -0.004 0.000 2.182 123 D HA -0.235 4.404 4.640 -0.000 0.000 0.201 123 D C 1.697 177.996 176.300 -0.002 0.000 0.986 123 D CA 1.291 55.289 54.000 -0.004 0.000 0.847 123 D CB -0.663 40.139 40.800 0.005 0.000 0.942 123 D HN 0.526 nan 8.370 nan 0.000 0.467 124 R N 0.283 120.790 120.500 0.010 0.000 2.193 124 R HA -0.002 4.337 4.340 -0.000 0.000 0.229 124 R C 1.947 178.243 176.300 -0.007 0.000 1.110 124 R CA 0.990 57.106 56.100 0.028 0.000 0.988 124 R CB -0.509 29.813 30.300 0.037 0.000 0.871 124 R HN 0.241 nan 8.270 nan 0.000 0.458 125 V N 1.314 121.210 119.914 -0.030 0.000 3.212 125 V HA -0.086 4.033 4.120 -0.000 0.000 0.244 125 V C 2.220 178.263 176.094 -0.086 0.000 1.151 125 V CA 1.461 63.725 62.300 -0.061 0.000 1.119 125 V CB 0.737 32.537 31.823 -0.037 0.000 0.838 125 V HN 0.634 nan 8.190 nan 0.000 0.470 126 T N -1.582 112.934 114.554 -0.063 0.000 2.904 126 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 126 T C 1.948 176.598 174.700 -0.084 0.000 1.059 126 T CA 1.728 63.789 62.100 -0.065 0.000 1.137 126 T CB -0.380 68.463 68.868 -0.041 0.000 0.879 126 T HN 0.383 nan 8.240 nan 0.000 0.467 127 L N 2.238 123.409 121.223 -0.086 0.000 1.970 127 L HA 0.003 4.343 4.340 -0.000 0.000 0.212 127 L C -0.251 176.506 176.870 -0.188 0.000 1.071 127 L CA 1.732 56.517 54.840 -0.091 0.000 0.751 127 L CB -0.939 41.099 42.059 -0.035 0.000 0.889 127 L HN 0.211 nan 8.230 nan 0.000 0.432 128 P HA -0.174 nan 4.420 nan 0.000 0.217 128 P C 1.903 179.038 177.300 -0.275 0.000 1.151 128 P CA 1.116 63.882 63.100 -0.556 0.000 0.828 128 P CB -0.049 31.013 31.700 -1.063 0.000 0.788 129 L N 0.434 121.538 121.223 -0.198 0.000 2.083 129 L HA -0.088 4.252 4.340 -0.000 0.000 0.209 129 L C 2.467 179.282 176.870 -0.092 0.000 1.083 129 L CA 1.828 56.595 54.840 -0.122 0.000 0.752 129 L CB -1.383 40.618 42.059 -0.096 0.000 0.899 129 L HN -0.079 nan 8.230 nan 0.000 0.433 130 K N -0.740 119.608 120.400 -0.087 0.000 2.211 130 K HA -0.153 4.167 4.320 -0.000 0.000 0.203 130 K C 1.913 178.484 176.600 -0.048 0.000 1.050 130 K CA 0.892 57.144 56.287 -0.059 0.000 0.945 130 K CB -0.038 32.433 32.500 -0.048 0.000 0.732 130 K HN 0.313 nan 8.250 nan 0.000 0.451 131 K N 0.269 120.634 120.400 -0.057 0.000 2.283 131 K HA -0.032 4.288 4.320 -0.000 0.000 0.202 131 K C 1.704 178.294 176.600 -0.017 0.000 1.048 131 K CA 0.998 57.268 56.287 -0.028 0.000 0.948 131 K CB 0.027 32.515 32.500 -0.020 0.000 0.742 131 K HN 0.173 nan 8.250 nan 0.000 0.458 132 M N -0.837 118.744 119.600 -0.032 0.000 2.556 132 M HA 0.088 4.568 4.480 -0.000 0.000 0.245 132 M C 0.911 177.198 176.300 -0.022 0.000 1.128 132 M CA 0.641 55.929 55.300 -0.020 0.000 1.069 132 M CB 0.822 33.404 32.600 -0.031 0.000 1.469 132 M HN 0.396 nan 8.290 nan 0.000 0.494 133 G N 0.270 109.054 108.800 -0.028 0.000 2.184 133 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.206 133 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.206 133 G C 0.035 174.912 174.900 -0.039 0.000 0.995 133 G CA -0.449 44.635 45.100 -0.028 0.000 0.651 133 G HN 0.253 nan 8.290 nan 0.000 0.511 134 V N 1.175 121.060 119.914 -0.048 0.000 2.686 134 V HA 0.609 4.729 4.120 -0.000 0.000 0.295 134 V C 0.909 176.972 176.094 -0.052 0.000 1.055 134 V CA 0.608 62.873 62.300 -0.059 0.000 1.050 134 V CB 1.733 33.516 31.823 -0.068 0.000 0.984 134 V HN 0.493 nan 8.190 nan 0.000 0.482 135 S N 5.748 121.417 115.700 -0.053 0.000 2.474 135 S HA 0.673 5.143 4.470 -0.000 0.000 0.320 135 S C -0.741 173.835 174.600 -0.041 0.000 1.067 135 S CA -0.550 57.626 58.200 -0.041 0.000 1.127 135 S CB -0.344 62.836 63.200 -0.034 0.000 0.971 135 S HN 0.513 nan 8.310 nan 0.000 0.472 136 I N 3.860 124.407 120.570 -0.038 0.000 2.582 136 I HA 0.538 4.708 4.170 -0.000 0.000 0.292 136 I C -0.428 175.674 176.117 -0.025 0.000 1.066 136 I CA -0.642 60.638 61.300 -0.034 0.000 1.053 136 I CB 2.484 40.459 38.000 -0.042 0.000 1.241 136 I HN 0.652 nan 8.210 nan 0.000 0.421 137 S N 3.023 118.713 115.700 -0.017 0.000 2.550 137 S HA 0.928 5.398 4.470 -0.000 0.000 0.270 137 S C -0.674 173.923 174.600 -0.005 0.000 1.145 137 S CA -0.577 57.616 58.200 -0.012 0.000 0.852 137 S CB 2.285 65.480 63.200 -0.009 0.000 1.119 137 S HN 0.907 nan 8.310 nan 0.000 0.465 138 G N 0.447 109.245 108.800 -0.003 0.000 3.243 138 G HA2 0.615 4.575 3.960 -0.000 0.000 0.248 138 G HA3 0.615 4.575 3.960 -0.000 0.000 0.248 138 G C -1.541 173.360 174.900 0.002 0.000 1.267 138 G CA -0.743 44.358 45.100 0.002 0.000 0.906 138 G HN 0.652 nan 8.290 nan 0.000 0.592 139 Q N 1.336 121.139 119.800 0.005 0.000 2.267 139 Q HA 0.488 4.828 4.340 -0.000 0.000 0.255 139 Q C 0.687 176.688 176.000 0.001 0.000 0.923 139 Q CA 0.447 56.252 55.803 0.003 0.000 0.925 139 Q CB 0.784 29.526 28.738 0.005 0.000 1.195 139 Q HN 1.385 nan 8.270 nan 0.000 0.417 140 T N -0.627 113.927 114.554 -0.000 0.000 0.541 140 T HA -0.244 4.106 4.350 -0.000 0.000 0.774 140 T C 0.856 175.556 174.700 -0.000 0.000 0.992 140 T CA 0.993 63.093 62.100 -0.001 0.000 4.077 140 T CB -0.574 68.294 68.868 -0.001 0.000 2.303 140 T HN 0.758 nan 8.240 nan 0.000 0.398 141 E N 0.446 120.646 120.200 -0.000 0.000 2.338 141 E HA -0.012 4.338 4.350 -0.000 0.000 0.197 141 E C 2.037 178.637 176.600 0.001 0.000 1.007 141 E CA 1.281 57.681 56.400 0.001 0.000 0.849 141 E CB -0.206 29.494 29.700 0.001 0.000 0.774 141 E HN 0.652 nan 8.360 nan 0.000 0.506 142 R N 0.696 121.197 120.500 0.002 0.000 2.310 142 R HA 0.010 4.350 4.340 -0.000 0.000 0.202 142 R C -0.322 175.978 176.300 0.001 0.000 0.933 142 R CA 0.484 56.586 56.100 0.002 0.000 1.054 142 R CB -0.215 30.087 30.300 0.003 0.000 0.985 142 R HN 0.121 nan 8.270 nan 0.000 0.489 143 D N 1.303 121.703 120.400 -0.000 0.000 2.812 143 D HA -0.163 4.477 4.640 -0.000 0.000 0.237 143 D C -0.861 175.439 176.300 0.001 0.000 1.162 143 D CA 0.789 54.788 54.000 -0.002 0.000 0.740 143 D CB -0.729 40.067 40.800 -0.006 0.000 1.000 143 D HN 0.004 nan 8.370 nan 0.000 0.416 144 L N 0.478 121.703 121.223 0.004 0.000 2.417 144 L HA 0.349 4.689 4.340 -0.000 0.000 0.268 144 L C -1.571 175.307 176.870 0.013 0.000 1.158 144 L CA -1.233 53.611 54.840 0.007 0.000 0.819 144 L CB -0.161 41.902 42.059 0.007 0.000 1.112 144 L HN -0.074 nan 8.230 nan 0.000 0.458 145 P HA 0.096 nan 4.420 nan 0.000 0.270 145 P C -2.501 174.827 177.300 0.047 0.000 1.223 145 P CA -0.802 62.319 63.100 0.035 0.000 0.785 145 P CB -0.156 31.565 31.700 0.036 0.000 0.923 146 P HA 0.142 nan 4.420 nan 0.000 0.275 146 P C -0.883 176.448 177.300 0.051 0.000 1.228 146 P CA 0.394 63.547 63.100 0.088 0.000 0.786 146 P CB 0.703 32.465 31.700 0.103 0.000 0.927 147 L N 2.465 123.717 121.223 0.048 0.000 2.322 147 L HA 0.589 4.929 4.340 -0.000 0.000 0.269 147 L C 0.898 177.784 176.870 0.026 0.000 1.012 147 L CA -0.923 53.930 54.840 0.022 0.000 0.815 147 L CB 1.755 43.816 42.059 0.003 0.000 1.295 147 L HN 0.306 nan 8.230 nan 0.000 0.438 148 R N 1.938 122.445 120.500 0.012 0.000 2.476 148 R HA 0.627 4.967 4.340 -0.000 0.000 0.305 148 R C -1.536 174.762 176.300 -0.004 0.000 0.965 148 R CA -0.564 55.544 56.100 0.013 0.000 0.867 148 R CB 2.088 32.395 30.300 0.012 0.000 1.176 148 R HN 0.475 nan 8.270 nan 0.000 0.447 149 L N 3.190 124.408 121.223 -0.008 0.000 2.362 149 L HA 0.541 4.881 4.340 -0.000 0.000 0.275 149 L C -1.229 175.608 176.870 -0.055 0.000 0.998 149 L CA -0.614 54.203 54.840 -0.038 0.000 0.820 149 L CB 1.478 43.503 42.059 -0.057 0.000 1.270 149 L HN 0.509 nan 8.230 nan 0.000 0.415 150 K N 3.946 124.302 120.400 -0.073 0.000 2.450 150 K HA 0.572 4.892 4.320 -0.000 0.000 0.257 150 K C -0.130 176.389 176.600 -0.135 0.000 0.953 150 K CA -0.493 55.737 56.287 -0.096 0.000 0.844 150 K CB 1.590 34.061 32.500 -0.048 0.000 1.103 150 K HN 0.763 nan 8.250 nan 0.000 0.429 151 G N 0.923 109.588 108.800 -0.225 0.000 2.535 151 G HA2 0.306 4.266 3.960 -0.000 0.000 0.282 151 G HA3 0.306 4.266 3.960 -0.000 0.000 0.282 151 G C -0.769 174.044 174.900 -0.144 0.000 1.350 151 G CA -0.253 44.725 45.100 -0.203 0.000 1.039 151 G HN 0.512 nan 8.290 nan 0.000 0.509 152 T N -1.772 112.713 114.554 -0.115 0.000 2.923 152 T HA 0.362 4.712 4.350 -0.000 0.000 0.311 152 T C 0.415 175.081 174.700 -0.057 0.000 1.183 152 T CA -0.702 61.355 62.100 -0.073 0.000 1.020 152 T CB 1.673 70.510 68.868 -0.051 0.000 1.165 152 T HN 0.245 nan 8.240 nan 0.000 0.482 153 K N 2.292 122.670 120.400 -0.037 0.000 2.486 153 K HA 0.142 4.462 4.320 -0.000 0.000 0.194 153 K C 0.197 176.789 176.600 -0.013 0.000 1.033 153 K CA 0.307 56.581 56.287 -0.021 0.000 1.004 153 K CB 0.110 32.605 32.500 -0.009 0.000 0.798 153 K HN 0.457 nan 8.250 nan 0.000 0.495 154 N N 1.233 119.923 118.700 -0.016 0.000 2.735 154 N HA 0.139 4.879 4.740 -0.000 0.000 0.312 154 N C -0.425 175.079 175.510 -0.010 0.000 1.843 154 N CA -0.130 52.915 53.050 -0.008 0.000 0.945 154 N CB 0.812 39.295 38.487 -0.006 0.000 1.299 154 N HN 0.039 nan 8.380 nan 0.000 0.489 155 L N 1.304 122.520 121.223 -0.012 0.000 2.499 155 L HA 0.085 4.425 4.340 -0.000 0.000 0.273 155 L C 0.826 177.697 176.870 0.002 0.000 1.195 155 L CA 0.375 55.208 54.840 -0.011 0.000 0.882 155 L CB 0.525 42.576 42.059 -0.013 0.000 1.133 155 L HN 0.034 nan 8.230 nan 0.000 0.483 156 R N 5.400 125.903 120.500 0.005 0.000 2.368 156 R HA 0.351 4.691 4.340 -0.000 0.000 0.302 156 R C -2.203 174.117 176.300 0.032 0.000 1.002 156 R CA -1.810 54.302 56.100 0.021 0.000 0.929 156 R CB 0.817 31.130 30.300 0.022 0.000 1.073 156 R HN 0.402 nan 8.270 nan 0.000 0.464 157 P HA -0.064 nan 4.420 nan 0.000 0.269 157 P C -0.589 176.758 177.300 0.079 0.000 1.217 157 P CA -0.062 63.069 63.100 0.052 0.000 0.783 157 P CB 0.650 32.394 31.700 0.074 0.000 0.898 158 I N 1.875 122.453 120.570 0.014 0.000 2.377 158 I HA 0.322 4.492 4.170 -0.000 0.000 0.293 158 I C -0.708 175.379 176.117 -0.049 0.000 0.987 158 I CA -0.886 60.432 61.300 0.031 0.000 1.185 158 I CB 0.792 38.783 38.000 -0.015 0.000 1.341 158 I HN 0.248 nan 8.210 nan 0.000 0.455 159 H N 7.086 126.199 119.070 0.071 0.000 2.708 159 H HA 0.527 5.083 4.556 -0.000 0.000 0.320 159 H C -1.715 173.717 175.328 0.173 0.000 0.991 159 H CA -0.247 55.852 56.048 0.085 0.000 1.243 159 H CB 1.018 30.812 29.762 0.053 0.000 1.446 159 H HN 0.567 nan 8.280 nan 0.000 0.502 160 Y N 1.123 121.441 120.300 0.030 0.000 2.480 160 Y HA 0.248 4.798 4.550 -0.000 0.000 0.329 160 Y C -1.179 174.717 175.900 -0.007 0.000 1.127 160 Y CA -0.690 57.420 58.100 0.017 0.000 1.037 160 Y CB 1.654 40.116 38.460 0.003 0.000 1.320 160 Y HN 0.536 nan 8.280 nan 0.000 0.446 161 E N 5.811 125.701 120.200 -0.517 0.000 2.055 161 E HA 0.252 4.602 4.350 -0.000 0.000 0.274 161 E C -1.180 175.019 176.600 -0.668 0.000 0.949 161 E CA -0.879 55.268 56.400 -0.421 0.000 0.775 161 E CB 0.977 30.505 29.700 -0.286 0.000 1.097 161 E HN 0.479 nan 8.360 nan 0.000 0.404 162 L N 6.148 127.164 121.223 -0.345 0.000 2.578 162 L HA -0.043 4.297 4.340 -0.000 0.000 0.279 162 L C -1.056 175.707 176.870 -0.179 0.000 1.227 162 L CA -0.205 54.530 54.840 -0.174 0.000 0.900 162 L CB 0.003 42.063 42.059 0.001 0.000 1.144 162 L HN 0.496 nan 8.230 nan 0.000 0.496 163 P HA 0.030 nan 4.420 nan 0.000 0.235 163 P C -0.015 177.263 177.300 -0.037 0.000 1.177 163 P CA 0.758 63.809 63.100 -0.082 0.000 0.785 163 P CB 0.315 31.991 31.700 -0.041 0.000 0.885 164 I N -5.001 115.562 120.570 -0.011 0.000 2.892 164 I HA 0.735 4.905 4.170 -0.000 0.000 0.306 164 I C -0.280 175.834 176.117 -0.006 0.000 1.078 164 I CA -1.921 59.377 61.300 -0.003 0.000 1.032 164 I CB 2.197 40.207 38.000 0.016 0.000 1.229 164 I HN -0.377 nan 8.210 nan 0.000 0.435 165 A N 2.907 125.723 122.820 -0.007 0.000 3.063 165 A HA 0.380 4.700 4.320 -0.000 0.000 0.263 165 A C 0.316 177.906 177.584 0.010 0.000 1.736 165 A CA -0.020 52.013 52.037 -0.008 0.000 1.408 165 A CB -0.942 18.053 19.000 -0.007 0.000 1.108 165 A HN 0.641 nan 8.150 nan 0.000 0.621 166 S N 0.453 116.163 115.700 0.017 0.000 2.437 166 S HA 0.557 5.027 4.470 -0.000 0.000 0.305 166 S C 1.106 175.725 174.600 0.031 0.000 1.109 166 S CA 0.007 58.225 58.200 0.029 0.000 1.099 166 S CB 1.236 64.458 63.200 0.036 0.000 1.004 166 S HN 0.873 nan 8.310 nan 0.000 0.475 167 A N 4.286 127.130 122.820 0.040 0.000 1.975 167 A HA 0.036 4.355 4.320 -0.000 0.000 0.215 167 A C 1.972 179.587 177.584 0.051 0.000 1.170 167 A CA 0.790 52.854 52.037 0.045 0.000 0.656 167 A CB -0.478 18.561 19.000 0.065 0.000 0.821 167 A HN 0.885 nan 8.150 nan 0.000 0.449 168 Q N -0.375 119.457 119.800 0.053 0.000 2.050 168 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 168 Q C 2.144 178.169 176.000 0.042 0.000 0.980 168 Q CA 1.774 57.608 55.803 0.051 0.000 0.840 168 Q CB -0.323 28.437 28.738 0.037 0.000 0.898 168 Q HN 0.467 nan 8.270 nan 0.000 0.424 169 V N 1.440 121.375 119.914 0.036 0.000 2.287 169 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 169 V C 2.313 178.423 176.094 0.028 0.000 1.053 169 V CA 2.101 64.420 62.300 0.033 0.000 1.027 169 V CB -0.608 31.249 31.823 0.058 0.000 0.646 169 V HN 0.367 nan 8.190 nan 0.000 0.447 170 K N 0.150 120.568 120.400 0.028 0.000 2.044 170 K HA -0.220 4.100 4.320 -0.000 0.000 0.210 170 K C 2.311 178.888 176.600 -0.038 0.000 1.049 170 K CA 2.158 58.448 56.287 0.006 0.000 0.927 170 K CB -0.275 32.225 32.500 -0.000 0.000 0.713 170 K HN 0.473 nan 8.250 nan 0.000 0.443 171 S N 0.668 116.348 115.700 -0.032 0.000 2.356 171 S HA -0.148 4.322 4.470 -0.000 0.000 0.223 171 S C 2.092 176.652 174.600 -0.066 0.000 1.032 171 S CA 1.141 59.276 58.200 -0.109 0.000 1.005 171 S CB -0.426 62.791 63.200 0.028 0.000 0.867 171 S HN 0.551 nan 8.310 nan 0.000 0.449 172 A N 1.738 124.603 122.820 0.075 0.000 1.873 172 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 172 A C 2.066 179.684 177.584 0.057 0.000 1.193 172 A CA 1.530 53.642 52.037 0.126 0.000 0.629 172 A CB -0.876 18.154 19.000 0.050 0.000 0.826 172 A HN 0.370 nan 8.150 nan 0.000 0.447 173 L N -0.912 120.304 121.223 -0.012 0.000 2.083 173 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 173 L C 2.745 179.583 176.870 -0.054 0.000 1.083 173 L CA 1.860 56.678 54.840 -0.037 0.000 0.752 173 L CB -0.823 41.212 42.059 -0.039 0.000 0.899 173 L HN 0.418 nan 8.230 nan 0.000 0.433 174 M N -2.204 117.323 119.600 -0.122 0.000 2.117 174 M HA -0.245 4.235 4.480 -0.000 0.000 0.262 174 M C 2.307 178.497 176.300 -0.183 0.000 1.065 174 M CA 1.851 57.037 55.300 -0.190 0.000 1.114 174 M CB -0.466 31.947 32.600 -0.311 0.000 1.361 174 M HN 0.113 nan 8.290 nan 0.000 0.408 175 F N -0.018 119.896 119.950 -0.061 0.000 2.216 175 F HA -0.176 4.351 4.527 -0.000 0.000 0.300 175 F C 2.582 178.339 175.800 -0.071 0.000 1.085 175 F CA 0.885 58.824 58.000 -0.101 0.000 1.326 175 F CB -0.424 38.490 39.000 -0.143 0.000 1.027 175 F HN 0.154 nan 8.300 nan 0.000 0.497 176 A N 0.010 122.894 122.820 0.107 0.000 1.897 176 A HA 0.002 4.322 4.320 -0.000 0.000 0.215 176 A C 2.318 179.914 177.584 0.020 0.000 1.181 176 A CA 1.263 53.325 52.037 0.042 0.000 0.620 176 A CB -1.132 17.871 19.000 0.006 0.000 0.821 176 A HN 0.276 nan 8.150 nan 0.000 0.443 177 A N -0.788 122.034 122.820 0.003 0.000 2.076 177 A HA -0.009 4.311 4.320 -0.000 0.000 0.220 177 A C 1.870 179.463 177.584 0.016 0.000 1.160 177 A CA 1.502 53.535 52.037 -0.005 0.000 0.653 177 A CB -0.420 18.562 19.000 -0.029 0.000 0.801 177 A HN 0.380 nan 8.150 nan 0.000 0.455 178 L N -0.714 120.529 121.223 0.034 0.000 2.291 178 L HA -0.081 4.259 4.340 -0.000 0.000 0.214 178 L C 2.337 179.239 176.870 0.053 0.000 1.120 178 L CA 1.731 56.605 54.840 0.058 0.000 0.799 178 L CB -0.582 41.532 42.059 0.091 0.000 0.925 178 L HN 0.511 nan 8.230 nan 0.000 0.446 179 Q N -1.370 118.454 119.800 0.040 0.000 2.378 179 Q HA 0.316 4.656 4.340 -0.000 0.000 0.216 179 Q C 0.745 176.756 176.000 0.019 0.000 0.892 179 Q CA 0.201 56.021 55.803 0.028 0.000 0.931 179 Q CB 0.372 29.119 28.738 0.016 0.000 1.086 179 Q HN 0.386 nan 8.270 nan 0.000 0.528 180 A N 1.611 124.441 122.820 0.017 0.000 2.322 180 A HA 0.272 4.591 4.320 -0.000 0.000 0.269 180 A C -0.378 177.218 177.584 0.020 0.000 1.094 180 A CA -0.359 51.687 52.037 0.014 0.000 0.807 180 A CB 0.430 19.437 19.000 0.011 0.000 1.047 180 A HN 0.040 nan 8.150 nan 0.000 0.487 181 K N 1.480 121.892 120.400 0.021 0.000 2.268 181 K HA 0.536 4.856 4.320 -0.000 0.000 0.276 181 K C 0.276 176.893 176.600 0.029 0.000 1.080 181 K CA 0.462 56.763 56.287 0.024 0.000 0.910 181 K CB 0.801 33.313 32.500 0.020 0.000 1.163 181 K HN 1.251 nan 8.250 nan 0.000 0.465 182 G N 1.955 110.774 108.800 0.031 0.000 2.334 182 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.315 182 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.315 182 G C -1.674 173.249 174.900 0.038 0.000 1.284 182 G CA -0.948 44.176 45.100 0.040 0.000 0.985 182 G HN 0.534 nan 8.290 nan 0.000 0.504 183 E N -0.089 120.144 120.200 0.054 0.000 2.156 183 E HA 0.625 4.975 4.350 -0.000 0.000 0.279 183 E C -0.338 176.239 176.600 -0.039 0.000 0.965 183 E CA -0.439 55.977 56.400 0.026 0.000 0.789 183 E CB 0.993 30.721 29.700 0.046 0.000 1.098 183 E HN 0.429 nan 8.360 nan 0.000 0.397 184 S N 2.295 117.923 115.700 -0.120 0.000 2.549 184 S HA 0.466 4.935 4.470 -0.000 0.000 0.297 184 S C -0.851 173.566 174.600 -0.305 0.000 1.115 184 S CA -0.832 57.204 58.200 -0.273 0.000 1.059 184 S CB 1.622 64.740 63.200 -0.136 0.000 1.046 184 S HN 0.476 nan 8.310 nan 0.000 0.506 185 V N 1.105 120.745 119.914 -0.457 0.000 2.482 185 V HA 0.671 4.791 4.120 -0.000 0.000 0.295 185 V C -0.999 175.015 176.094 -0.132 0.000 1.026 185 V CA -0.637 61.521 62.300 -0.237 0.000 0.856 185 V CB 0.721 32.436 31.823 -0.179 0.000 1.001 185 V HN 0.790 nan 8.190 nan 0.000 0.424 186 I N 6.337 126.866 120.570 -0.067 0.000 2.362 186 I HA 0.533 4.703 4.170 -0.000 0.000 0.289 186 I C -0.430 175.671 176.117 -0.027 0.000 0.994 186 I CA -0.447 60.844 61.300 -0.015 0.000 1.158 186 I CB 1.779 39.772 38.000 -0.011 0.000 1.315 186 I HN 0.542 nan 8.210 nan 0.000 0.451 187 I N 6.214 126.764 120.570 -0.033 0.000 2.362 187 I HA 0.294 4.464 4.170 -0.000 0.000 0.289 187 I C 0.079 176.138 176.117 -0.097 0.000 0.994 187 I CA -0.635 60.622 61.300 -0.072 0.000 1.158 187 I CB 1.228 39.181 38.000 -0.078 0.000 1.315 187 I HN 0.554 nan 8.210 nan 0.000 0.451 188 E N 5.422 125.546 120.200 -0.127 0.000 2.343 188 E HA 0.104 4.454 4.350 -0.000 0.000 0.269 188 E C 0.451 176.944 176.600 -0.180 0.000 1.047 188 E CA -0.436 55.875 56.400 -0.148 0.000 0.874 188 E CB 1.811 31.393 29.700 -0.196 0.000 1.033 188 E HN 0.489 nan 8.360 nan 0.000 0.409 189 K N 1.284 121.598 120.400 -0.142 0.000 2.116 189 K HA -0.046 4.273 4.320 -0.000 0.000 0.203 189 K C 0.052 176.561 176.600 -0.151 0.000 1.052 189 K CA 1.104 57.314 56.287 -0.129 0.000 0.952 189 K CB 0.490 32.936 32.500 -0.089 0.000 0.729 189 K HN 0.383 nan 8.250 nan 0.000 0.446 190 E N -0.612 119.490 120.200 -0.163 0.000 2.390 190 E HA 0.113 4.463 4.350 -0.000 0.000 0.277 190 E C -1.458 175.033 176.600 -0.183 0.000 0.939 190 E CA -0.765 55.539 56.400 -0.161 0.000 0.769 190 E CB 0.941 30.615 29.700 -0.043 0.000 1.251 190 E HN 0.056 nan 8.360 nan 0.000 0.450 191 Y N 1.237 121.526 120.300 -0.018 0.000 2.650 191 Y HA 0.086 4.636 4.550 -0.000 0.000 0.331 191 Y C 1.431 177.317 175.900 -0.023 0.000 1.165 191 Y CA 0.524 58.611 58.100 -0.023 0.000 1.473 191 Y CB 0.295 38.739 38.460 -0.026 0.000 1.224 191 Y HN 0.292 nan 8.280 nan 0.000 0.533 192 T N 1.614 116.224 114.554 0.092 0.000 2.926 192 T HA 0.497 4.847 4.350 -0.000 0.000 0.289 192 T C -0.293 174.420 174.700 0.021 0.000 1.054 192 T CA -1.565 60.565 62.100 0.049 0.000 1.015 192 T CB 1.217 70.101 68.868 0.027 0.000 1.167 192 T HN 0.646 nan 8.240 nan 0.000 0.526 193 R N 1.903 122.398 120.500 -0.009 0.000 2.523 193 R HA -0.019 4.321 4.340 -0.000 0.000 0.281 193 R C -0.318 175.887 176.300 -0.159 0.000 0.969 193 R CA -0.046 55.977 56.100 -0.128 0.000 1.093 193 R CB -0.483 29.768 30.300 -0.082 0.000 0.917 193 R HN 0.846 nan 8.270 nan 0.000 0.408 194 N N 1.957 120.502 118.700 -0.259 0.000 2.451 194 N HA -0.014 4.726 4.740 -0.000 0.000 0.264 194 N C -0.061 175.367 175.510 -0.138 0.000 1.167 194 N CA -0.311 52.653 53.050 -0.142 0.000 0.898 194 N CB -0.240 38.201 38.487 -0.077 0.000 1.176 194 N HN 0.701 nan 8.380 nan 0.000 0.507 195 H N -0.548 118.556 119.070 0.056 0.000 2.423 195 H HA -0.018 4.538 4.556 -0.000 0.000 0.297 195 H C 1.254 176.629 175.328 0.078 0.000 1.075 195 H CA 2.024 58.112 56.048 0.066 0.000 1.342 195 H CB 0.275 30.093 29.762 0.094 0.000 1.395 195 H HN 0.243 nan 8.280 nan 0.000 0.530 196 T N 0.543 115.208 114.554 0.185 0.000 2.737 196 T HA -0.137 4.213 4.350 -0.000 0.000 0.265 196 T C 1.710 176.457 174.700 0.079 0.000 1.038 196 T CA 1.538 63.738 62.100 0.166 0.000 1.144 196 T CB -0.123 68.739 68.868 -0.009 0.000 0.866 196 T HN 0.396 nan 8.240 nan 0.000 0.434 197 E N 1.323 121.536 120.200 0.021 0.000 2.051 197 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 197 E C 2.151 178.742 176.600 -0.016 0.000 0.991 197 E CA 1.213 57.612 56.400 -0.002 0.000 0.799 197 E CB -0.283 29.413 29.700 -0.006 0.000 0.748 197 E HN 0.357 nan 8.360 nan 0.000 0.449 198 D N -0.057 120.338 120.400 -0.008 0.000 2.092 198 D HA -0.147 4.493 4.640 -0.000 0.000 0.193 198 D C 1.904 178.169 176.300 -0.060 0.000 0.994 198 D CA 1.238 55.229 54.000 -0.015 0.000 0.828 198 D CB -0.187 40.628 40.800 0.025 0.000 0.963 198 D HN 0.201 nan 8.370 nan 0.000 0.450 199 M N -0.240 119.294 119.600 -0.111 0.000 2.319 199 M HA -0.070 4.410 4.480 -0.000 0.000 0.265 199 M C 2.036 178.010 176.300 -0.544 0.000 1.068 199 M CA 0.372 55.487 55.300 -0.307 0.000 1.118 199 M CB -0.012 32.323 32.600 -0.440 0.000 1.395 199 M HN 0.017 nan 8.290 nan 0.000 0.435 200 L N 0.894 121.879 121.223 -0.396 0.000 2.017 200 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 200 L C 2.247 179.068 176.870 -0.081 0.000 1.073 200 L CA 2.024 56.775 54.840 -0.148 0.000 0.745 200 L CB -0.671 41.428 42.059 0.067 0.000 0.894 200 L HN 0.303 nan 8.230 nan 0.000 0.432 201 Q N -0.989 118.756 119.800 -0.092 0.000 2.079 201 Q HA -0.272 4.068 4.340 -0.000 0.000 0.200 201 Q C 2.263 178.205 176.000 -0.097 0.000 0.974 201 Q CA 1.779 57.519 55.803 -0.104 0.000 0.840 201 Q CB -0.301 28.393 28.738 -0.074 0.000 0.898 201 Q HN 0.675 nan 8.270 nan 0.000 0.430 202 Q N -0.013 119.740 119.800 -0.078 0.000 2.181 202 Q HA -0.151 4.189 4.340 -0.000 0.000 0.205 202 Q C 0.593 176.489 176.000 -0.173 0.000 0.980 202 Q CA 1.033 56.773 55.803 -0.105 0.000 0.862 202 Q CB 0.129 28.817 28.738 -0.083 0.000 0.905 202 Q HN 0.302 nan 8.270 nan 0.000 0.429 203 F N -0.613 119.217 119.950 -0.200 0.000 2.663 203 F HA 0.294 4.821 4.527 -0.000 0.000 0.299 203 F C 1.318 177.076 175.800 -0.070 0.000 1.143 203 F CA 0.602 58.537 58.000 -0.109 0.000 1.387 203 F CB 0.617 39.576 39.000 -0.069 0.000 1.019 203 F HN 0.219 nan 8.300 nan 0.000 0.523 204 G N 0.087 108.870 108.800 -0.030 0.000 2.148 204 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.254 204 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.254 204 G C 0.778 175.538 174.900 -0.232 0.000 0.981 204 G CA -0.074 44.967 45.100 -0.099 0.000 0.670 204 G HN 0.764 nan 8.290 nan 0.000 0.528 205 G N -1.183 107.509 108.800 -0.179 0.000 2.557 205 G HA2 0.654 4.613 3.960 -0.000 0.000 0.292 205 G HA3 0.654 4.613 3.960 -0.000 0.000 0.292 205 G C -0.575 174.016 174.900 -0.514 0.000 1.237 205 G CA -0.393 44.602 45.100 -0.175 0.000 0.978 205 G HN 0.588 nan 8.290 nan 0.000 0.498 206 H N -1.681 117.424 119.070 0.057 0.000 2.895 206 H HA 0.683 5.238 4.556 -0.000 0.000 0.373 206 H C -0.037 175.308 175.328 0.028 0.000 1.174 206 H CA -0.681 55.389 56.048 0.036 0.000 1.144 206 H CB 2.163 31.942 29.762 0.030 0.000 1.793 206 H HN 0.664 nan 8.280 nan 0.000 0.551 207 L N -1.692 119.607 121.223 0.128 0.000 2.775 207 L HA 0.811 5.151 4.340 -0.000 0.000 0.263 207 L C -1.454 175.449 176.870 0.056 0.000 1.017 207 L CA -0.802 54.080 54.840 0.070 0.000 0.891 207 L CB 2.426 44.506 42.059 0.034 0.000 1.482 207 L HN 0.490 nan 8.230 nan 0.000 0.410 208 S N 0.670 116.391 115.700 0.035 0.000 2.519 208 S HA 0.734 5.204 4.470 -0.000 0.000 0.309 208 S C -0.749 173.864 174.600 0.022 0.000 1.100 208 S CA -0.496 57.721 58.200 0.029 0.000 1.059 208 S CB 1.884 65.098 63.200 0.024 0.000 1.008 208 S HN 0.447 nan 8.310 nan 0.000 0.478 209 V N 3.494 123.424 119.914 0.026 0.000 2.334 209 V HA 0.395 4.515 4.120 -0.000 0.000 0.281 209 V C -0.708 175.409 176.094 0.038 0.000 1.016 209 V CA -0.645 61.674 62.300 0.032 0.000 0.832 209 V CB 1.497 33.343 31.823 0.039 0.000 0.999 209 V HN 0.839 nan 8.190 nan 0.000 0.439 210 D N 4.163 124.587 120.400 0.039 0.000 2.438 210 D HA 0.576 5.215 4.640 -0.000 0.000 0.257 210 D C 0.710 177.045 176.300 0.059 0.000 1.148 210 D CA 1.047 55.071 54.000 0.041 0.000 0.902 210 D CB 0.971 41.786 40.800 0.026 0.000 1.062 210 D HN 0.783 nan 8.370 nan 0.000 0.518 211 G N 4.075 112.938 108.800 0.105 0.000 2.561 211 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.289 211 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.289 211 G C 0.848 175.853 174.900 0.175 0.000 1.169 211 G CA 0.421 45.631 45.100 0.184 0.000 0.980 211 G HN 0.520 nan 8.290 nan 0.000 0.550 212 K N 0.908 121.289 120.400 -0.030 0.000 2.444 212 K HA 0.142 4.462 4.320 -0.000 0.000 0.193 212 K C 1.088 177.625 176.600 -0.106 0.000 1.024 212 K CA 0.290 56.441 56.287 -0.228 0.000 1.077 212 K CB 0.253 32.518 32.500 -0.393 0.000 0.833 212 K HN 0.328 nan 8.250 nan 0.000 0.517 213 K N 2.067 122.443 120.400 -0.041 0.000 2.276 213 K HA 0.237 4.557 4.320 -0.000 0.000 0.285 213 K C -0.928 175.665 176.600 -0.013 0.000 1.062 213 K CA -0.171 56.099 56.287 -0.029 0.000 0.918 213 K CB 0.524 33.015 32.500 -0.015 0.000 1.055 213 K HN -0.021 nan 8.250 nan 0.000 0.477 214 I N 3.487 124.043 120.570 -0.023 0.000 2.389 214 I HA 0.160 4.330 4.170 -0.000 0.000 0.288 214 I C -0.288 175.811 176.117 -0.030 0.000 0.999 214 I CA -0.635 60.654 61.300 -0.018 0.000 1.129 214 I CB 2.097 40.084 38.000 -0.022 0.000 1.288 214 I HN 0.445 nan 8.210 nan 0.000 0.444 215 T N 5.856 120.399 114.554 -0.019 0.000 2.770 215 T HA 0.515 4.864 4.350 -0.000 0.000 0.283 215 T C -0.275 174.417 174.700 -0.014 0.000 0.988 215 T CA -0.461 61.622 62.100 -0.028 0.000 0.957 215 T CB 1.620 70.480 68.868 -0.012 0.000 0.930 215 T HN 0.181 nan 8.240 nan 0.000 0.443 216 V N 3.743 123.640 119.914 -0.028 0.000 2.487 216 V HA 0.429 4.549 4.120 -0.000 0.000 0.298 216 V C -0.256 175.838 176.094 0.001 0.000 1.028 216 V CA -0.916 61.382 62.300 -0.005 0.000 0.860 216 V CB 1.789 33.602 31.823 -0.017 0.000 0.991 216 V HN 0.667 nan 8.190 nan 0.000 0.427 217 Q N 2.284 122.100 119.800 0.027 0.000 2.243 217 Q HA 0.711 5.051 4.340 -0.000 0.000 0.252 217 Q C 0.090 176.114 176.000 0.039 0.000 0.909 217 Q CA 0.283 56.103 55.803 0.028 0.000 0.922 217 Q CB 1.771 30.528 28.738 0.031 0.000 1.215 217 Q HN 0.988 nan 8.270 nan 0.000 0.427 218 G N 3.071 111.890 108.800 0.032 0.000 2.574 218 G HA2 0.710 4.670 3.960 -0.000 0.000 0.299 218 G HA3 0.710 4.670 3.960 -0.000 0.000 0.299 218 G C -2.849 172.072 174.900 0.035 0.000 1.298 218 G CA -1.574 43.549 45.100 0.038 0.000 0.952 218 G HN 0.503 nan 8.290 nan 0.000 0.477 219 P HA 0.388 nan 4.420 nan 0.000 0.282 219 P C -0.770 176.568 177.300 0.064 0.000 1.259 219 P CA -0.472 62.656 63.100 0.048 0.000 0.826 219 P CB 1.333 33.057 31.700 0.041 0.000 1.064 220 Q N 0.276 120.125 119.800 0.080 0.000 2.416 220 Q HA 0.524 4.863 4.340 -0.000 0.000 0.279 220 Q C -0.741 175.323 176.000 0.107 0.000 1.101 220 Q CA -1.041 54.825 55.803 0.107 0.000 0.830 220 Q CB 2.714 31.535 28.738 0.138 0.000 1.402 220 Q HN 0.275 nan 8.270 nan 0.000 0.445 221 K N 1.795 122.265 120.400 0.118 0.000 2.345 221 K HA 0.540 4.860 4.320 -0.000 0.000 0.255 221 K C -1.387 175.297 176.600 0.139 0.000 0.934 221 K CA -0.345 56.009 56.287 0.113 0.000 0.801 221 K CB 0.907 33.463 32.500 0.093 0.000 1.137 221 K HN 0.515 nan 8.250 nan 0.000 0.424 222 L N 2.002 123.320 121.223 0.158 0.000 2.332 222 L HA 0.546 4.886 4.340 -0.000 0.000 0.269 222 L C -0.148 176.839 176.870 0.196 0.000 1.016 222 L CA -1.085 53.881 54.840 0.211 0.000 0.809 222 L CB 2.168 44.411 42.059 0.308 0.000 1.280 222 L HN 0.658 nan 8.230 nan 0.000 0.447 223 T N -0.007 114.667 114.554 0.200 0.000 2.841 223 T HA 0.424 4.774 4.350 -0.000 0.000 0.283 223 T C 0.208 174.976 174.700 0.113 0.000 1.000 223 T CA -0.536 61.638 62.100 0.122 0.000 0.977 223 T CB 1.743 70.637 68.868 0.042 0.000 0.979 223 T HN 0.772 nan 8.240 nan 0.000 0.446 224 G N 2.491 111.350 108.800 0.098 0.000 2.474 224 G HA2 0.374 4.334 3.960 -0.000 0.000 0.233 224 G HA3 0.374 4.334 3.960 -0.000 0.000 0.233 224 G C -0.440 174.365 174.900 -0.157 0.000 1.278 224 G CA -0.104 45.036 45.100 0.067 0.000 0.861 224 G HN 0.482 nan 8.290 nan 0.000 0.567 225 Q N -0.385 119.236 119.800 -0.298 0.000 2.605 225 Q HA 0.395 4.735 4.340 -0.000 0.000 0.296 225 Q C -0.680 175.223 176.000 -0.161 0.000 1.056 225 Q CA -0.934 54.623 55.803 -0.410 0.000 0.778 225 Q CB 2.241 30.393 28.738 -0.977 0.000 1.497 225 Q HN 0.658 nan 8.270 nan 0.000 0.443 226 K N 0.978 121.314 120.400 -0.107 0.000 2.263 226 K HA 0.486 4.806 4.320 -0.000 0.000 0.272 226 K C -1.229 175.396 176.600 0.043 0.000 1.033 226 K CA -0.292 56.031 56.287 0.060 0.000 0.884 226 K CB 0.785 33.317 32.500 0.053 0.000 1.107 226 K HN 0.300 nan 8.250 nan 0.000 0.460 227 V N 5.464 125.466 119.914 0.146 0.000 2.384 227 V HA 0.251 4.371 4.120 -0.000 0.000 0.287 227 V C -0.333 175.875 176.094 0.191 0.000 1.020 227 V CA -0.957 61.421 62.300 0.131 0.000 0.850 227 V CB 1.370 33.294 31.823 0.168 0.000 0.987 227 V HN 0.614 nan 8.190 nan 0.000 0.436 228 V N 3.802 123.783 119.914 0.111 0.000 2.328 228 V HA 0.603 4.723 4.120 -0.000 0.000 0.278 228 V C -0.164 175.972 176.094 0.070 0.000 1.021 228 V CA -0.643 61.719 62.300 0.103 0.000 0.838 228 V CB 1.225 33.060 31.823 0.021 0.000 0.999 228 V HN 0.470 nan 8.190 nan 0.000 0.447 229 V N 8.542 128.499 119.914 0.073 0.000 2.455 229 V HA 0.329 4.449 4.120 -0.000 0.000 0.273 229 V C -1.335 174.772 176.094 0.022 0.000 1.045 229 V CA -0.896 61.425 62.300 0.036 0.000 0.976 229 V CB 0.942 32.777 31.823 0.020 0.000 0.993 229 V HN 0.880 nan 8.190 nan 0.000 0.475 230 P HA 0.254 nan 4.420 nan 0.000 0.276 230 P C 0.213 177.514 177.300 0.002 0.000 1.252 230 P CA -0.147 62.960 63.100 0.012 0.000 0.802 230 P CB 0.970 32.681 31.700 0.018 0.000 1.035 231 G N 0.705 109.510 108.800 0.008 0.000 2.554 231 G HA2 0.021 3.981 3.960 -0.000 0.000 0.238 231 G HA3 0.021 3.981 3.960 -0.000 0.000 0.238 231 G C -0.269 174.632 174.900 0.001 0.000 1.259 231 G CA -0.100 45.000 45.100 0.001 0.000 0.843 231 G HN 0.488 nan 8.290 nan 0.000 0.582 232 D N 1.101 121.491 120.400 -0.017 0.000 2.325 232 D HA 0.117 4.757 4.640 -0.000 0.000 0.251 232 D C 1.545 177.863 176.300 0.030 0.000 1.196 232 D CA -0.600 53.398 54.000 -0.004 0.000 0.866 232 D CB 1.067 41.854 40.800 -0.022 0.000 1.101 232 D HN 0.073 nan 8.370 nan 0.000 0.476 233 I N 2.302 122.895 120.570 0.039 0.000 2.361 233 I HA -0.213 3.957 4.170 -0.000 0.000 0.251 233 I C 2.371 178.499 176.117 0.020 0.000 1.133 233 I CA 0.814 62.138 61.300 0.040 0.000 1.413 233 I CB -0.642 37.382 38.000 0.040 0.000 1.073 233 I HN 0.254 nan 8.210 nan 0.000 0.424 234 S N 0.158 115.872 115.700 0.025 0.000 2.447 234 S HA -0.121 4.349 4.470 -0.000 0.000 0.233 234 S C 2.107 176.736 174.600 0.048 0.000 1.006 234 S CA 1.349 59.547 58.200 -0.003 0.000 0.957 234 S CB -0.400 62.830 63.200 0.050 0.000 0.773 234 S HN 0.708 nan 8.310 nan 0.000 0.507 235 S N 1.137 116.923 115.700 0.143 0.000 2.483 235 S HA 0.322 4.792 4.470 -0.000 0.000 0.221 235 S C 1.885 176.678 174.600 0.322 0.000 1.030 235 S CA 0.381 58.787 58.200 0.343 0.000 0.925 235 S CB -0.180 63.069 63.200 0.083 0.000 0.795 235 S HN 0.403 nan 8.310 nan 0.000 0.511 236 A N 1.728 124.662 122.820 0.190 0.000 2.067 236 A HA 0.462 4.782 4.320 -0.000 0.000 0.219 236 A C 2.394 180.060 177.584 0.136 0.000 1.158 236 A CA 1.253 53.445 52.037 0.257 0.000 0.661 236 A CB -1.217 17.891 19.000 0.180 0.000 0.801 236 A HN 0.841 nan 8.150 nan 0.000 0.452 237 A N -0.676 122.115 122.820 -0.047 0.000 1.978 237 A HA -0.050 4.270 4.320 -0.000 0.000 0.220 237 A C 1.852 179.250 177.584 -0.311 0.000 1.170 237 A CA 1.451 53.359 52.037 -0.215 0.000 0.636 237 A CB -0.791 17.978 19.000 -0.384 0.000 0.810 237 A HN 0.506 nan 8.150 nan 0.000 0.448 238 F N -1.927 117.903 119.950 -0.200 0.000 2.216 238 F HA -0.158 4.369 4.527 -0.000 0.000 0.300 238 F C 2.083 177.713 175.800 -0.283 0.000 1.085 238 F CA 1.119 58.914 58.000 -0.341 0.000 1.326 238 F CB -0.495 38.172 39.000 -0.556 0.000 1.027 238 F HN 0.394 nan 8.300 nan 0.000 0.497 239 W N -0.359 121.094 121.300 0.255 0.000 2.494 239 W HA 0.064 4.724 4.660 -0.000 0.000 0.286 239 W C 2.073 178.635 176.519 0.073 0.000 1.218 239 W CA -0.050 57.381 57.345 0.144 0.000 1.313 239 W CB -0.541 29.000 29.460 0.135 0.000 1.105 239 W HN -0.104 nan 8.180 nan 0.000 0.561 240 L N -0.087 121.276 121.223 0.235 0.000 1.989 240 L HA -0.264 4.076 4.340 -0.000 0.000 0.211 240 L C 2.254 179.174 176.870 0.084 0.000 1.071 240 L CA 1.155 56.070 54.840 0.126 0.000 0.749 240 L CB -1.243 40.850 42.059 0.057 0.000 0.890 240 L HN -0.107 nan 8.230 nan 0.000 0.431 241 V N -0.130 119.809 119.914 0.043 0.000 2.307 241 V HA -0.280 3.840 4.120 -0.000 0.000 0.245 241 V C 2.741 178.875 176.094 0.067 0.000 1.045 241 V CA 1.720 64.035 62.300 0.024 0.000 1.024 241 V CB -0.843 30.964 31.823 -0.027 0.000 0.651 241 V HN 0.492 nan 8.190 nan 0.000 0.449 242 A N 0.571 123.465 122.820 0.123 0.000 1.892 242 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 242 A C 2.399 180.053 177.584 0.115 0.000 1.188 242 A CA 2.209 54.339 52.037 0.155 0.000 0.631 242 A CB -1.273 17.907 19.000 0.301 0.000 0.822 242 A HN 0.553 nan 8.150 nan 0.000 0.447 243 G N -0.766 108.108 108.800 0.123 0.000 2.422 243 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.218 243 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.218 243 G C 1.500 176.425 174.900 0.042 0.000 1.140 243 G CA 0.900 46.040 45.100 0.066 0.000 0.775 243 G HN 0.441 nan 8.290 nan 0.000 0.545 244 L N -0.566 120.686 121.223 0.047 0.000 2.179 244 L HA 0.142 4.482 4.340 -0.000 0.000 0.208 244 L C 2.484 179.370 176.870 0.026 0.000 1.096 244 L CA 0.161 55.020 54.840 0.032 0.000 0.779 244 L CB -0.082 41.993 42.059 0.027 0.000 0.922 244 L HN 0.116 nan 8.230 nan 0.000 0.443 245 I N -0.278 120.310 120.570 0.031 0.000 2.494 245 I HA 0.060 4.230 4.170 -0.000 0.000 0.250 245 I C 1.513 177.644 176.117 0.024 0.000 1.112 245 I CA 0.173 61.488 61.300 0.026 0.000 1.438 245 I CB -0.305 37.712 38.000 0.028 0.000 1.111 245 I HN 0.008 nan 8.210 nan 0.000 0.431 246 A N 2.415 125.250 122.820 0.025 0.000 2.366 246 A HA 0.436 4.756 4.320 -0.000 0.000 0.249 246 A C -2.265 175.323 177.584 0.008 0.000 1.084 246 A CA -0.856 51.190 52.037 0.014 0.000 0.794 246 A CB -0.739 18.262 19.000 0.003 0.000 1.034 246 A HN 0.058 nan 8.150 nan 0.000 0.491 247 P HA 0.124 nan 4.420 nan 0.000 0.278 247 P C -0.840 176.474 177.300 0.023 0.000 1.258 247 P CA -0.500 62.614 63.100 0.024 0.000 0.811 247 P CB 0.327 32.049 31.700 0.036 0.000 1.063 248 N N -1.284 117.440 118.700 0.041 0.000 2.700 248 N HA -0.126 4.614 4.740 -0.000 0.000 0.265 248 N C -0.650 174.842 175.510 -0.030 0.000 0.975 248 N CA 1.052 54.142 53.050 0.067 0.000 0.800 248 N CB -1.609 36.950 38.487 0.119 0.000 0.908 248 N HN 0.335 nan 8.380 nan 0.000 0.551 249 S N 0.237 115.891 115.700 -0.077 0.000 2.542 249 S HA 0.687 5.157 4.470 -0.000 0.000 0.293 249 S C 0.181 174.726 174.600 -0.092 0.000 1.089 249 S CA -0.905 57.153 58.200 -0.237 0.000 0.961 249 S CB 3.298 66.409 63.200 -0.147 0.000 1.062 249 S HN 0.459 nan 8.310 nan 0.000 0.483 250 R N 2.174 122.617 120.500 -0.095 0.000 2.549 250 R HA 0.465 4.805 4.340 -0.000 0.000 0.291 250 R C -2.052 174.279 176.300 0.053 0.000 1.164 250 R CA -0.309 55.827 56.100 0.061 0.000 0.973 250 R CB 0.506 30.910 30.300 0.172 0.000 1.210 250 R HN 0.638 nan 8.270 nan 0.000 0.422 251 L N 4.069 125.312 121.223 0.033 0.000 2.346 251 L HA 0.663 5.003 4.340 -0.000 0.000 0.274 251 L C -0.546 176.343 176.870 0.032 0.000 1.007 251 L CA -1.359 53.492 54.840 0.018 0.000 0.818 251 L CB 2.095 44.166 42.059 0.020 0.000 1.284 251 L HN 0.358 nan 8.230 nan 0.000 0.424 252 V N 4.947 124.869 119.914 0.013 0.000 2.376 252 V HA 0.443 4.563 4.120 -0.000 0.000 0.287 252 V C -0.899 175.204 176.094 0.014 0.000 1.015 252 V CA -0.436 61.876 62.300 0.021 0.000 0.834 252 V CB 1.485 33.318 31.823 0.017 0.000 1.001 252 V HN 0.448 nan 8.190 nan 0.000 0.428 253 L N 7.013 128.262 121.223 0.043 0.000 2.277 253 L HA 0.568 4.908 4.340 -0.000 0.000 0.284 253 L C 0.251 177.152 176.870 0.052 0.000 1.028 253 L CA 0.049 54.927 54.840 0.062 0.000 0.835 253 L CB 0.884 43.020 42.059 0.128 0.000 1.215 253 L HN 0.739 nan 8.230 nan 0.000 0.425 254 Q N 1.844 121.666 119.800 0.037 0.000 2.221 254 Q HA 0.254 4.594 4.340 -0.000 0.000 0.242 254 Q C 0.379 176.399 176.000 0.033 0.000 0.940 254 Q CA -0.593 55.228 55.803 0.030 0.000 0.896 254 Q CB 0.995 29.744 28.738 0.018 0.000 1.226 254 Q HN 0.540 nan 8.270 nan 0.000 0.463 255 N N -0.482 118.234 118.700 0.027 0.000 2.740 255 N HA -0.182 4.558 4.740 -0.000 0.000 0.248 255 N C -1.210 174.318 175.510 0.030 0.000 1.062 255 N CA 0.677 53.741 53.050 0.024 0.000 0.704 255 N CB -1.023 37.476 38.487 0.020 0.000 0.968 255 N HN 0.439 nan 8.380 nan 0.000 0.547 256 V N -1.284 118.652 119.914 0.037 0.000 2.439 256 V HA 0.873 4.993 4.120 -0.000 0.000 0.282 256 V C 1.369 177.485 176.094 0.038 0.000 1.039 256 V CA -0.218 62.108 62.300 0.043 0.000 0.913 256 V CB 1.336 33.193 31.823 0.057 0.000 0.983 256 V HN 0.336 nan 8.190 nan 0.000 0.460 257 G N 3.213 112.037 108.800 0.039 0.000 2.321 257 G HA2 0.330 4.290 3.960 -0.000 0.000 0.237 257 G HA3 0.330 4.290 3.960 -0.000 0.000 0.237 257 G C -0.121 174.810 174.900 0.052 0.000 1.282 257 G CA -0.121 45.008 45.100 0.049 0.000 0.886 257 G HN 0.921 nan 8.290 nan 0.000 0.528 258 I N 1.417 122.016 120.570 0.049 0.000 3.833 258 I HA 0.131 4.301 4.170 -0.000 0.000 0.328 258 I C 0.819 176.956 176.117 0.034 0.000 1.554 258 I CA -0.983 60.340 61.300 0.037 0.000 1.116 258 I CB -0.085 37.930 38.000 0.025 0.000 1.182 258 I HN 0.469 nan 8.210 nan 0.000 0.459 259 N N 1.733 120.466 118.700 0.056 0.000 2.411 259 N HA -0.100 4.640 4.740 -0.000 0.000 0.261 259 N C 1.274 176.788 175.510 0.007 0.000 1.248 259 N CA 0.489 53.560 53.050 0.035 0.000 0.885 259 N CB 0.925 39.454 38.487 0.069 0.000 1.062 259 N HN 0.270 nan 8.380 nan 0.000 0.471 260 E N 1.988 122.177 120.200 -0.018 0.000 2.267 260 E HA -0.184 4.166 4.350 -0.000 0.000 0.197 260 E C 1.217 177.796 176.600 -0.035 0.000 0.998 260 E CA 1.416 57.798 56.400 -0.030 0.000 0.830 260 E CB -0.885 28.786 29.700 -0.048 0.000 0.751 260 E HN 0.752 nan 8.360 nan 0.000 0.491 261 T N -1.813 112.713 114.554 -0.047 0.000 3.148 261 T HA 0.152 4.501 4.350 -0.000 0.000 0.253 261 T C 1.484 176.175 174.700 -0.014 0.000 1.134 261 T CA -0.046 62.029 62.100 -0.041 0.000 1.051 261 T CB 0.167 68.988 68.868 -0.079 0.000 0.959 261 T HN -0.033 nan 8.240 nan 0.000 0.525 262 R N 0.747 121.251 120.500 0.007 0.000 2.521 262 R HA 0.159 4.499 4.340 -0.000 0.000 0.289 262 R C 1.462 177.778 176.300 0.027 0.000 0.936 262 R CA 0.768 56.894 56.100 0.042 0.000 1.089 262 R CB 0.081 30.445 30.300 0.105 0.000 1.348 262 R HN 0.611 nan 8.270 nan 0.000 0.536 263 T N -2.373 112.189 114.554 0.013 0.000 3.312 263 T HA 0.114 4.464 4.350 -0.000 0.000 0.251 263 T C 1.624 176.321 174.700 -0.004 0.000 1.012 263 T CA 0.367 62.470 62.100 0.006 0.000 0.925 263 T CB 0.413 69.283 68.868 0.004 0.000 1.049 263 T HN 0.148 nan 8.240 nan 0.000 0.583 264 G N 1.873 110.670 108.800 -0.005 0.000 2.442 264 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.219 264 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.219 264 G C 1.245 176.135 174.900 -0.018 0.000 1.141 264 G CA 0.624 45.718 45.100 -0.010 0.000 0.763 264 G HN 0.627 nan 8.290 nan 0.000 0.554 265 I N 0.217 120.772 120.570 -0.026 0.000 2.567 265 I HA -0.072 4.098 4.170 -0.000 0.000 0.257 265 I C 2.439 178.543 176.117 -0.023 0.000 1.184 265 I CA 0.635 61.914 61.300 -0.036 0.000 1.451 265 I CB -0.009 37.956 38.000 -0.059 0.000 1.089 265 I HN 0.183 nan 8.210 nan 0.000 0.441 266 I N 0.679 121.241 120.570 -0.013 0.000 2.202 266 I HA -0.286 3.884 4.170 -0.000 0.000 0.242 266 I C 1.988 178.101 176.117 -0.007 0.000 1.091 266 I CA 1.302 62.598 61.300 -0.006 0.000 1.368 266 I CB -0.587 37.413 38.000 -0.001 0.000 1.058 266 I HN 0.223 nan 8.210 nan 0.000 0.410 267 D N 0.681 121.076 120.400 -0.008 0.000 2.123 267 D HA -0.149 4.491 4.640 -0.000 0.000 0.196 267 D C 2.337 178.632 176.300 -0.009 0.000 0.992 267 D CA 1.140 55.135 54.000 -0.008 0.000 0.833 267 D CB -0.467 40.327 40.800 -0.009 0.000 0.954 267 D HN 0.149 nan 8.370 nan 0.000 0.455 268 V N 1.278 121.185 119.914 -0.012 0.000 2.295 268 V HA -0.217 3.903 4.120 -0.000 0.000 0.246 268 V C 2.577 178.664 176.094 -0.011 0.000 1.049 268 V CA 1.114 63.406 62.300 -0.013 0.000 1.024 268 V CB -0.383 31.428 31.823 -0.021 0.000 0.648 268 V HN 0.185 nan 8.190 nan 0.000 0.447 269 I N -0.453 120.110 120.570 -0.011 0.000 2.163 269 I HA -0.291 3.879 4.170 -0.000 0.000 0.243 269 I C 2.792 178.908 176.117 -0.002 0.000 1.085 269 I CA 1.748 63.044 61.300 -0.006 0.000 1.347 269 I CB -0.442 37.557 38.000 -0.002 0.000 1.044 269 I HN 0.245 nan 8.210 nan 0.000 0.408 270 R N 0.563 121.062 120.500 -0.001 0.000 2.092 270 R HA -0.102 4.238 4.340 -0.000 0.000 0.231 270 R C 2.408 178.707 176.300 -0.001 0.000 1.119 270 R CA 1.389 57.489 56.100 0.000 0.000 0.970 270 R CB -0.412 29.888 30.300 -0.000 0.000 0.864 270 R HN 0.366 nan 8.270 nan 0.000 0.440 271 A N 0.864 123.683 122.820 -0.003 0.000 1.969 271 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 271 A C 1.954 179.537 177.584 -0.002 0.000 1.169 271 A CA 1.110 53.145 52.037 -0.003 0.000 0.635 271 A CB -0.256 18.741 19.000 -0.004 0.000 0.810 271 A HN 0.187 nan 8.150 nan 0.000 0.445 272 M N -1.216 118.383 119.600 -0.002 0.000 2.561 272 M HA 0.167 4.647 4.480 -0.000 0.000 0.238 272 M C 1.292 177.593 176.300 0.001 0.000 1.131 272 M CA 0.723 56.023 55.300 -0.001 0.000 1.046 272 M CB 0.172 32.770 32.600 -0.003 0.000 1.532 272 M HN 0.609 nan 8.290 nan 0.000 0.497 273 G N 0.745 109.546 108.800 0.002 0.000 2.143 273 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.249 273 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.249 273 G C 0.293 175.197 174.900 0.007 0.000 0.981 273 G CA -0.151 44.952 45.100 0.005 0.000 0.665 273 G HN 0.633 nan 8.290 nan 0.000 0.528 274 G N -0.169 108.635 108.800 0.007 0.000 2.442 274 G HA2 0.470 4.430 3.960 -0.000 0.000 0.249 274 G HA3 0.470 4.430 3.960 -0.000 0.000 0.249 274 G C 0.233 175.141 174.900 0.013 0.000 1.263 274 G CA -0.410 44.696 45.100 0.010 0.000 0.846 274 G HN 0.420 nan 8.290 nan 0.000 0.555 275 K N 1.179 121.590 120.400 0.017 0.000 2.228 275 K HA 0.182 4.502 4.320 -0.000 0.000 0.284 275 K C -0.690 175.924 176.600 0.022 0.000 1.088 275 K CA -0.322 55.976 56.287 0.019 0.000 0.941 275 K CB 0.608 33.121 32.500 0.022 0.000 1.158 275 K HN 0.207 nan 8.250 nan 0.000 0.438 276 L N 2.314 123.549 121.223 0.019 0.000 2.356 276 L HA 0.326 4.666 4.340 -0.000 0.000 0.277 276 L C -0.829 176.053 176.870 0.020 0.000 0.996 276 L CA -0.295 54.558 54.840 0.022 0.000 0.822 276 L CB 1.616 43.686 42.059 0.019 0.000 1.256 276 L HN 0.500 nan 8.230 nan 0.000 0.413 277 E N 5.155 125.369 120.200 0.023 0.000 2.187 277 E HA 0.514 4.864 4.350 -0.000 0.000 0.268 277 E C -1.430 175.182 176.600 0.021 0.000 0.896 277 E CA -0.611 55.800 56.400 0.020 0.000 0.766 277 E CB 1.393 31.105 29.700 0.020 0.000 1.142 277 E HN 0.693 nan 8.360 nan 0.000 0.408 278 I N 4.677 125.257 120.570 0.016 0.000 2.390 278 I HA 0.245 4.415 4.170 -0.000 0.000 0.283 278 I C 0.141 176.266 176.117 0.013 0.000 1.016 278 I CA -0.421 60.889 61.300 0.016 0.000 1.151 278 I CB 1.474 39.482 38.000 0.014 0.000 1.293 278 I HN 0.549 nan 8.210 nan 0.000 0.458 279 T N 0.817 115.379 114.554 0.014 0.000 2.807 279 T HA 0.408 4.758 4.350 -0.000 0.000 0.277 279 T C 0.072 174.778 174.700 0.010 0.000 1.006 279 T CA -0.603 61.504 62.100 0.011 0.000 1.006 279 T CB 1.595 70.469 68.868 0.011 0.000 1.274 279 T HN 0.485 nan 8.240 nan 0.000 0.569 280 E N 0.151 120.355 120.200 0.007 0.000 2.228 280 E HA -0.157 4.193 4.350 -0.000 0.000 0.213 280 E C -0.500 176.104 176.600 0.006 0.000 1.282 280 E CA 0.320 56.724 56.400 0.006 0.000 0.707 280 E CB -1.890 27.815 29.700 0.007 0.000 1.150 280 E HN 0.688 nan 8.360 nan 0.000 0.362 281 I N 1.311 121.884 120.570 0.005 0.000 2.421 281 I HA -0.001 4.169 4.170 -0.000 0.000 0.291 281 I C 1.072 177.191 176.117 0.002 0.000 1.089 281 I CA 0.221 61.523 61.300 0.005 0.000 1.354 281 I CB 0.282 38.284 38.000 0.003 0.000 1.413 281 I HN -0.056 nan 8.210 nan 0.000 0.513 282 D N 10.461 130.862 120.400 0.003 0.000 2.441 282 D HA 0.145 4.785 4.640 -0.000 0.000 0.221 282 D C -1.368 174.931 176.300 -0.001 0.000 1.156 282 D CA -1.927 52.072 54.000 -0.001 0.000 0.896 282 D CB 1.511 42.310 40.800 -0.001 0.000 1.028 282 D HN 0.302 nan 8.370 nan 0.000 0.509 283 P HA -0.166 nan 4.420 nan 0.000 0.218 283 P C 1.562 178.859 177.300 -0.006 0.000 1.146 283 P CA 0.468 63.565 63.100 -0.005 0.000 0.813 283 P CB 0.620 32.315 31.700 -0.007 0.000 0.778 284 V N 1.697 121.606 119.914 -0.008 0.000 2.238 284 V HA -0.148 3.972 4.120 -0.000 0.000 0.235 284 V C 2.717 178.807 176.094 -0.005 0.000 1.037 284 V CA 2.481 64.775 62.300 -0.010 0.000 0.991 284 V CB -1.814 30.000 31.823 -0.016 0.000 0.638 284 V HN 0.083 nan 8.190 nan 0.000 0.457 285 A N -1.251 121.567 122.820 -0.003 0.000 2.248 285 A HA -0.070 4.250 4.320 -0.000 0.000 0.210 285 A C 1.040 178.633 177.584 0.016 0.000 1.174 285 A CA 0.603 52.643 52.037 0.005 0.000 0.750 285 A CB -0.816 18.186 19.000 0.003 0.000 0.780 285 A HN 0.647 nan 8.150 nan 0.000 0.478 286 K N 0.030 120.437 120.400 0.013 0.000 3.419 286 K HA -0.155 4.165 4.320 -0.000 0.000 0.272 286 K C -0.096 176.518 176.600 0.024 0.000 0.973 286 K CA 0.655 56.953 56.287 0.019 0.000 0.749 286 K CB -1.896 30.621 32.500 0.029 0.000 1.403 286 K HN 0.856 nan 8.250 nan 0.000 0.456 287 S N -1.053 114.658 115.700 0.018 0.000 2.661 287 S HA 0.945 5.415 4.470 -0.000 0.000 0.285 287 S C -0.782 173.829 174.600 0.017 0.000 1.138 287 S CA -0.359 57.854 58.200 0.021 0.000 0.855 287 S CB 2.966 66.177 63.200 0.019 0.000 1.136 287 S HN 0.708 nan 8.310 nan 0.000 0.484 288 A N 0.676 123.509 122.820 0.021 0.000 2.566 288 A HA 0.788 5.107 4.320 -0.000 0.000 0.290 288 A C -0.536 177.063 177.584 0.025 0.000 1.071 288 A CA -0.384 51.664 52.037 0.019 0.000 0.658 288 A CB 0.669 19.680 19.000 0.018 0.000 1.285 288 A HN 1.750 nan 8.150 nan 0.000 0.427 289 T N -0.348 114.220 114.554 0.023 0.000 2.767 289 T HA 0.650 4.999 4.350 -0.000 0.000 0.284 289 T C -0.736 173.983 174.700 0.031 0.000 0.973 289 T CA -0.524 61.593 62.100 0.028 0.000 0.996 289 T CB 0.634 69.515 68.868 0.022 0.000 0.927 289 T HN 0.479 nan 8.240 nan 0.000 0.456 290 L N 3.652 124.900 121.223 0.042 0.000 2.307 290 L HA 0.600 4.940 4.340 -0.000 0.000 0.284 290 L C -0.094 176.805 176.870 0.048 0.000 1.023 290 L CA -1.156 53.711 54.840 0.044 0.000 0.810 290 L CB 1.235 43.326 42.059 0.054 0.000 1.231 290 L HN 0.748 nan 8.230 nan 0.000 0.423 291 I N 3.581 124.176 120.570 0.041 0.000 2.418 291 I HA 0.506 4.676 4.170 -0.000 0.000 0.287 291 I C -0.549 175.594 176.117 0.044 0.000 1.008 291 I CA -0.835 60.490 61.300 0.042 0.000 1.104 291 I CB 2.191 40.212 38.000 0.035 0.000 1.264 291 I HN 0.274 nan 8.210 nan 0.000 0.438 292 V N 6.417 126.361 119.914 0.051 0.000 2.715 292 V HA 0.586 4.706 4.120 -0.000 0.000 0.310 292 V C -0.704 175.416 176.094 0.044 0.000 1.054 292 V CA -0.038 62.291 62.300 0.048 0.000 0.928 292 V CB 2.293 34.152 31.823 0.061 0.000 1.007 292 V HN 0.834 nan 8.190 nan 0.000 0.437 293 E N 2.738 122.960 120.200 0.037 0.000 2.343 293 E HA 0.462 4.811 4.350 -0.000 0.000 0.270 293 E C -0.840 175.777 176.600 0.028 0.000 0.895 293 E CA -0.811 55.610 56.400 0.035 0.000 0.767 293 E CB 2.220 31.943 29.700 0.039 0.000 1.248 293 E HN 0.738 nan 8.360 nan 0.000 0.440 294 S N 1.461 117.176 115.700 0.024 0.000 2.673 294 S HA 0.082 4.552 4.470 -0.000 0.000 0.308 294 S C -0.440 174.174 174.600 0.023 0.000 1.246 294 S CA 0.166 58.379 58.200 0.021 0.000 1.077 294 S CB 0.095 63.308 63.200 0.021 0.000 0.814 294 S HN 0.362 nan 8.310 nan 0.000 0.503 295 S N 1.739 117.451 115.700 0.020 0.000 2.632 295 S HA 0.452 4.922 4.470 -0.000 0.000 0.289 295 S C -1.293 173.316 174.600 0.015 0.000 1.115 295 S CA -1.112 57.098 58.200 0.018 0.000 0.889 295 S CB 1.320 64.530 63.200 0.017 0.000 1.116 295 S HN 0.598 nan 8.310 nan 0.000 0.486 296 D N 1.992 122.400 120.400 0.013 0.000 2.274 296 D HA 0.449 5.089 4.640 -0.000 0.000 0.239 296 D C -0.612 175.693 176.300 0.009 0.000 1.104 296 D CA -0.305 53.702 54.000 0.011 0.000 0.840 296 D CB 0.823 41.629 40.800 0.011 0.000 1.100 296 D HN 0.130 nan 8.370 nan 0.000 0.477 297 L N 1.835 123.063 121.223 0.007 0.000 2.352 297 L HA 0.498 4.838 4.340 -0.000 0.000 0.269 297 L C 0.362 177.234 176.870 0.003 0.000 1.034 297 L CA -0.768 54.075 54.840 0.005 0.000 0.806 297 L CB 0.830 42.891 42.059 0.003 0.000 1.244 297 L HN 0.097 nan 8.230 nan 0.000 0.447 298 K N 0.083 120.485 120.400 0.002 0.000 2.318 298 K HA 0.637 4.957 4.320 -0.000 0.000 0.249 298 K C 0.112 176.712 176.600 -0.000 0.000 0.942 298 K CA -0.452 55.836 56.287 0.001 0.000 0.808 298 K CB 1.650 34.151 32.500 0.002 0.000 1.189 298 K HN 0.734 nan 8.250 nan 0.000 0.428 299 G N 0.136 108.936 108.800 -0.001 0.000 2.664 299 G HA2 0.339 4.299 3.960 -0.000 0.000 0.242 299 G HA3 0.339 4.299 3.960 -0.000 0.000 0.242 299 G C -0.374 174.524 174.900 -0.003 0.000 1.225 299 G CA 0.231 45.330 45.100 -0.002 0.000 0.849 299 G HN 0.434 nan 8.290 nan 0.000 0.581 300 T N -1.302 113.249 114.554 -0.004 0.000 2.762 300 T HA 0.464 4.814 4.350 -0.000 0.000 0.301 300 T C -1.308 173.389 174.700 -0.005 0.000 1.299 300 T CA -0.642 61.456 62.100 -0.004 0.000 1.005 300 T CB 1.759 70.624 68.868 -0.005 0.000 1.377 300 T HN 0.615 nan 8.240 nan 0.000 0.504 301 E N 1.507 121.705 120.200 -0.004 0.000 2.166 301 E HA 0.601 4.951 4.350 -0.000 0.000 0.275 301 E C -1.105 175.492 176.600 -0.004 0.000 0.941 301 E CA -0.604 55.794 56.400 -0.004 0.000 0.784 301 E CB 0.838 30.537 29.700 -0.002 0.000 1.115 301 E HN 0.499 nan 8.360 nan 0.000 0.399 302 I N 6.199 126.766 120.570 -0.005 0.000 2.420 302 I HA 0.326 4.496 4.170 -0.000 0.000 0.282 302 I C -0.313 175.802 176.117 -0.003 0.000 1.019 302 I CA -0.653 60.644 61.300 -0.006 0.000 1.130 302 I CB 0.679 38.673 38.000 -0.010 0.000 1.262 302 I HN 0.679 nan 8.210 nan 0.000 0.454 303 C N 2.561 121.860 119.300 -0.001 0.000 3.335 303 C HA 0.890 5.350 4.460 -0.000 0.000 0.356 303 C C 0.895 175.887 174.990 0.005 0.000 1.570 303 C CA -0.657 58.362 59.018 0.001 0.000 1.271 303 C CB 0.769 28.509 27.740 0.001 0.000 1.873 303 C HN 0.938 nan 8.230 nan 0.000 0.439 304 G N 0.158 108.961 108.800 0.006 0.000 2.956 304 G HA2 0.305 4.265 3.960 -0.000 0.000 0.258 304 G HA3 0.305 4.265 3.960 -0.000 0.000 0.258 304 G C 1.226 176.137 174.900 0.018 0.000 0.437 304 G CA 1.760 46.866 45.100 0.010 0.000 1.163 304 G HN 2.859 nan 8.290 nan 0.000 0.231 305 A N 0.973 123.809 122.820 0.027 0.000 2.617 305 A HA -0.316 4.004 4.320 -0.000 0.000 0.236 305 A C 2.017 179.626 177.584 0.042 0.000 0.514 305 A CA 2.317 54.383 52.037 0.049 0.000 1.126 305 A CB -1.566 17.470 19.000 0.059 0.000 1.393 305 A HN 2.138 nan 8.150 nan 0.000 0.693 306 L N 0.182 121.420 121.223 0.024 0.000 2.217 306 L HA 0.039 4.379 4.340 -0.000 0.000 0.211 306 L C 2.145 179.023 176.870 0.013 0.000 1.107 306 L CA 2.013 56.862 54.840 0.015 0.000 0.783 306 L CB -0.309 41.754 42.059 0.006 0.000 0.919 306 L HN 0.586 nan 8.230 nan 0.000 0.442 307 I N 1.370 121.947 120.570 0.013 0.000 2.087 307 I HA -0.219 3.951 4.170 -0.000 0.000 0.240 307 I C -0.193 175.932 176.117 0.014 0.000 1.054 307 I CA 1.898 63.204 61.300 0.009 0.000 1.311 307 I CB -2.934 35.071 38.000 0.008 0.000 1.024 307 I HN 0.285 nan 8.210 nan 0.000 0.402 308 P HA -0.136 nan 4.420 nan 0.000 0.225 308 P C 1.325 178.643 177.300 0.030 0.000 1.148 308 P CA 1.345 64.462 63.100 0.028 0.000 0.779 308 P CB -0.248 31.472 31.700 0.034 0.000 0.780 309 R N -0.166 120.350 120.500 0.025 0.000 2.313 309 R HA 0.113 4.453 4.340 -0.000 0.000 0.199 309 R C 0.672 176.979 176.300 0.011 0.000 0.958 309 R CA 0.541 56.652 56.100 0.019 0.000 1.047 309 R CB -0.181 30.127 30.300 0.013 0.000 0.955 309 R HN 0.258 nan 8.270 nan 0.000 0.481 310 L N -4.370 116.857 121.223 0.006 0.000 3.693 310 L HA 0.241 4.581 4.340 -0.000 0.000 0.357 310 L C 0.690 177.552 176.870 -0.013 0.000 1.330 310 L CA -0.104 54.731 54.840 -0.009 0.000 1.046 310 L CB -0.690 41.355 42.059 -0.023 0.000 1.407 310 L HN -0.200 nan 8.230 nan 0.000 0.614 311 I N -0.669 119.902 120.570 0.003 0.000 2.185 311 I HA -0.221 3.949 4.170 -0.000 0.000 0.246 311 I C 1.695 177.808 176.117 -0.006 0.000 1.088 311 I CA 1.677 62.979 61.300 0.003 0.000 1.347 311 I CB -0.953 37.058 38.000 0.018 0.000 1.041 311 I HN 0.208 nan 8.210 nan 0.000 0.415 312 D N 0.494 120.893 120.400 -0.001 0.000 2.348 312 D HA -0.091 4.549 4.640 -0.000 0.000 0.216 312 D C 1.675 177.928 176.300 -0.079 0.000 0.970 312 D CA 0.758 54.750 54.000 -0.013 0.000 0.889 312 D CB -0.104 40.712 40.800 0.028 0.000 0.912 312 D HN 0.475 nan 8.370 nan 0.000 0.524 313 E N -0.154 119.988 120.200 -0.097 0.000 2.479 313 E HA 0.144 4.494 4.350 -0.000 0.000 0.193 313 E C 1.919 178.438 176.600 -0.136 0.000 1.049 313 E CA -0.124 56.173 56.400 -0.171 0.000 0.870 313 E CB 0.053 29.660 29.700 -0.156 0.000 0.944 313 E HN 0.242 nan 8.360 nan 0.000 0.492 314 L N 0.558 121.731 121.223 -0.083 0.000 2.141 314 L HA -0.066 4.274 4.340 -0.000 0.000 0.209 314 L C -0.765 176.068 176.870 -0.061 0.000 1.094 314 L CA 1.026 55.830 54.840 -0.060 0.000 0.763 314 L CB -1.078 40.961 42.059 -0.034 0.000 0.908 314 L HN 0.147 nan 8.230 nan 0.000 0.437 315 P HA -0.175 nan 4.420 nan 0.000 0.214 315 P C 1.852 179.117 177.300 -0.058 0.000 1.162 315 P CA 1.443 64.516 63.100 -0.044 0.000 0.879 315 P CB -0.045 31.639 31.700 -0.027 0.000 0.786 316 I N -3.780 116.719 120.570 -0.119 0.000 2.439 316 I HA -0.123 4.047 4.170 -0.000 0.000 0.251 316 I C 2.045 178.098 176.117 -0.106 0.000 1.139 316 I CA 1.528 62.749 61.300 -0.132 0.000 1.438 316 I CB -0.952 36.855 38.000 -0.323 0.000 1.085 316 I HN -0.147 nan 8.210 nan 0.000 0.427 317 I N 2.031 122.536 120.570 -0.109 0.000 2.394 317 I HA -0.210 3.959 4.170 -0.000 0.000 0.251 317 I C 3.018 179.106 176.117 -0.047 0.000 1.136 317 I CA 1.202 62.457 61.300 -0.075 0.000 1.425 317 I CB -0.362 37.596 38.000 -0.070 0.000 1.079 317 I HN 0.317 nan 8.210 nan 0.000 0.425 318 A N 0.836 123.630 122.820 -0.042 0.000 1.877 318 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 318 A C 2.382 179.952 177.584 -0.023 0.000 1.186 318 A CA 1.345 53.366 52.037 -0.027 0.000 0.620 318 A CB -0.810 18.177 19.000 -0.021 0.000 0.822 318 A HN 0.429 nan 8.150 nan 0.000 0.443 319 L N -0.921 120.287 121.223 -0.025 0.000 2.046 319 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 319 L C 2.521 179.381 176.870 -0.016 0.000 1.077 319 L CA 2.035 56.865 54.840 -0.017 0.000 0.747 319 L CB -0.399 41.654 42.059 -0.009 0.000 0.896 319 L HN 0.483 nan 8.230 nan 0.000 0.432 320 L N 0.579 121.788 121.223 -0.023 0.000 2.012 320 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 320 L C 2.626 179.488 176.870 -0.014 0.000 1.073 320 L CA 2.217 57.046 54.840 -0.019 0.000 0.748 320 L CB -0.789 41.253 42.059 -0.029 0.000 0.891 320 L HN 0.242 nan 8.230 nan 0.000 0.431 321 A N -2.069 120.741 122.820 -0.017 0.000 1.972 321 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 321 A C 2.318 179.896 177.584 -0.010 0.000 1.169 321 A CA 2.065 54.094 52.037 -0.013 0.000 0.635 321 A CB -1.186 17.805 19.000 -0.014 0.000 0.810 321 A HN 0.514 nan 8.150 nan 0.000 0.446 322 T N -0.282 114.265 114.554 -0.012 0.000 2.849 322 T HA -0.112 4.238 4.350 -0.000 0.000 0.270 322 T C 1.718 176.413 174.700 -0.009 0.000 1.066 322 T CA 1.594 63.687 62.100 -0.012 0.000 1.130 322 T CB -0.189 68.669 68.868 -0.017 0.000 0.864 322 T HN 0.484 nan 8.240 nan 0.000 0.481 323 Q N -0.216 119.580 119.800 -0.006 0.000 2.319 323 Q HA 0.405 4.745 4.340 -0.000 0.000 0.202 323 Q C 0.594 176.595 176.000 0.001 0.000 0.896 323 Q CA -0.088 55.715 55.803 -0.001 0.000 0.942 323 Q CB 0.288 29.027 28.738 0.002 0.000 1.083 323 Q HN 0.481 nan 8.270 nan 0.000 0.510 324 A N 1.021 123.840 122.820 -0.001 0.000 2.302 324 A HA 0.347 4.667 4.320 -0.000 0.000 0.285 324 A C 0.133 177.718 177.584 0.001 0.000 1.105 324 A CA -0.431 51.606 52.037 0.000 0.000 0.816 324 A CB 0.648 19.647 19.000 -0.002 0.000 1.067 324 A HN -0.032 nan 8.150 nan 0.000 0.489 325 Q N 0.509 120.311 119.800 0.003 0.000 2.295 325 Q HA 0.478 4.818 4.340 -0.000 0.000 0.259 325 Q C 0.695 176.697 176.000 0.002 0.000 0.976 325 Q CA 1.385 57.190 55.803 0.003 0.000 0.923 325 Q CB 0.863 29.604 28.738 0.004 0.000 1.185 325 Q HN 1.571 nan 8.270 nan 0.000 0.410 326 G N 1.109 109.911 108.800 0.002 0.000 2.500 326 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.209 326 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.209 326 G C -1.068 173.832 174.900 0.001 0.000 1.283 326 G CA -0.579 44.523 45.100 0.002 0.000 0.960 326 G HN 0.459 nan 8.290 nan 0.000 0.528 327 V N 1.048 120.962 119.914 0.000 0.000 2.532 327 V HA 0.779 4.899 4.120 -0.000 0.000 0.295 327 V C 0.743 176.836 176.094 -0.002 0.000 1.041 327 V CA 0.372 62.672 62.300 -0.001 0.000 0.926 327 V CB 1.435 33.258 31.823 0.000 0.000 0.992 327 V HN 1.610 nan 8.190 nan 0.000 0.457 328 T N 1.170 115.722 114.554 -0.003 0.000 2.841 328 T HA 0.739 5.089 4.350 -0.000 0.000 0.285 328 T C -0.948 173.749 174.700 -0.005 0.000 0.991 328 T CA -0.646 61.451 62.100 -0.005 0.000 0.966 328 T CB 1.501 70.365 68.868 -0.007 0.000 0.962 328 T HN 0.298 nan 8.240 nan 0.000 0.438 329 V N 4.713 124.624 119.914 -0.004 0.000 2.417 329 V HA 0.520 4.640 4.120 -0.000 0.000 0.291 329 V C -0.186 175.905 176.094 -0.005 0.000 1.024 329 V CA -0.876 61.422 62.300 -0.004 0.000 0.861 329 V CB 1.383 33.205 31.823 -0.002 0.000 0.985 329 V HN 0.893 nan 8.190 nan 0.000 0.436 330 I N 6.390 126.957 120.570 -0.005 0.000 2.382 330 I HA 0.531 4.701 4.170 -0.000 0.000 0.286 330 I C -0.065 176.050 176.117 -0.004 0.000 1.002 330 I CA -0.383 60.914 61.300 -0.006 0.000 1.135 330 I CB 1.335 39.330 38.000 -0.008 0.000 1.288 330 I HN 0.723 nan 8.210 nan 0.000 0.448 331 K N 3.612 124.010 120.400 -0.003 0.000 2.439 331 K HA 0.553 4.873 4.320 -0.000 0.000 0.260 331 K C -0.805 175.795 176.600 -0.001 0.000 1.032 331 K CA -0.760 55.526 56.287 -0.002 0.000 0.882 331 K CB 1.599 34.098 32.500 -0.002 0.000 1.420 331 K HN 0.329 nan 8.250 nan 0.000 0.455 332 D N -1.104 119.296 120.400 -0.001 0.000 3.041 332 D HA -0.176 4.464 4.640 -0.000 0.000 0.220 332 D C -0.153 176.147 176.300 0.000 0.000 1.157 332 D CA 1.483 55.482 54.000 -0.001 0.000 0.876 332 D CB -1.426 39.374 40.800 -0.000 0.000 1.107 332 D HN 0.692 nan 8.370 nan 0.000 0.422 333 A N 0.507 123.327 122.820 0.000 0.000 2.713 333 A HA 0.192 4.512 4.320 -0.000 0.000 0.296 333 A C 1.746 179.331 177.584 0.002 0.000 1.255 333 A CA -0.040 51.998 52.037 0.001 0.000 0.955 333 A CB 0.216 19.215 19.000 -0.001 0.000 1.149 333 A HN 0.189 nan 8.150 nan 0.000 0.538 334 E N 0.571 120.772 120.200 0.002 0.000 2.209 334 E HA -0.234 4.116 4.350 -0.000 0.000 0.196 334 E C 0.542 177.145 176.600 0.005 0.000 0.993 334 E CA 1.033 57.434 56.400 0.002 0.000 0.819 334 E CB -0.241 29.459 29.700 0.001 0.000 0.745 334 E HN 0.560 nan 8.360 nan 0.000 0.477 335 E N 0.907 121.111 120.200 0.007 0.000 2.331 335 E HA -0.074 4.276 4.350 -0.000 0.000 0.199 335 E C 2.240 178.848 176.600 0.013 0.000 1.008 335 E CA 0.373 56.780 56.400 0.011 0.000 0.843 335 E CB -0.208 29.500 29.700 0.014 0.000 0.761 335 E HN 0.432 nan 8.360 nan 0.000 0.507 336 L N 0.411 121.640 121.223 0.010 0.000 2.131 336 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 336 L C 2.233 179.110 176.870 0.012 0.000 1.092 336 L CA 1.112 55.959 54.840 0.011 0.000 0.759 336 L CB -0.260 41.803 42.059 0.007 0.000 0.903 336 L HN 0.023 nan 8.230 nan 0.000 0.435 337 K N -0.678 119.727 120.400 0.008 0.000 2.362 337 K HA -0.096 4.224 4.320 -0.000 0.000 0.200 337 K C 1.543 178.146 176.600 0.005 0.000 1.046 337 K CA 0.743 57.032 56.287 0.004 0.000 0.952 337 K CB 0.004 32.504 32.500 -0.000 0.000 0.753 337 K HN 0.140 nan 8.250 nan 0.000 0.466 338 V N 1.193 121.113 119.914 0.011 0.000 3.342 338 V HA 0.042 4.162 4.120 -0.000 0.000 0.322 338 V C 0.047 176.153 176.094 0.021 0.000 1.370 338 V CA 0.032 62.339 62.300 0.013 0.000 1.170 338 V CB -0.299 31.532 31.823 0.012 0.000 1.101 338 V HN 0.099 nan 8.190 nan 0.000 0.442 339 K N -0.024 120.393 120.400 0.028 0.000 2.627 339 K HA 0.280 4.600 4.320 -0.000 0.000 0.269 339 K C 1.231 177.861 176.600 0.051 0.000 1.029 339 K CA -0.314 55.999 56.287 0.044 0.000 1.026 339 K CB 0.299 32.829 32.500 0.050 0.000 1.350 339 K HN -0.018 nan 8.250 nan 0.000 0.506 340 E N 0.433 120.679 120.200 0.077 0.000 2.164 340 E HA -0.186 4.164 4.350 -0.000 0.000 0.206 340 E C 0.555 177.198 176.600 0.073 0.000 1.032 340 E CA 2.006 58.459 56.400 0.089 0.000 0.832 340 E CB -0.078 29.709 29.700 0.144 0.000 0.742 340 E HN 0.741 nan 8.360 nan 0.000 0.460 341 T N -3.444 111.151 114.554 0.067 0.000 2.812 341 T HA 0.242 4.592 4.350 -0.000 0.000 0.294 341 T C -0.853 173.864 174.700 0.028 0.000 1.159 341 T CA -0.939 61.189 62.100 0.047 0.000 1.008 341 T CB 1.436 70.361 68.868 0.095 0.000 1.289 341 T HN -0.144 nan 8.240 nan 0.000 0.514 342 D N 0.212 120.614 120.400 0.003 0.000 2.367 342 D HA 0.152 4.792 4.640 -0.000 0.000 0.255 342 D C 0.887 177.198 176.300 0.018 0.000 1.300 342 D CA -0.237 53.764 54.000 0.001 0.000 0.959 342 D CB 0.458 41.247 40.800 -0.019 0.000 1.064 342 D HN 0.474 nan 8.370 nan 0.000 0.509 343 R N 3.029 123.542 120.500 0.022 0.000 2.339 343 R HA 0.083 4.423 4.340 -0.000 0.000 0.199 343 R C 1.487 177.796 176.300 0.016 0.000 1.018 343 R CA 0.332 56.446 56.100 0.023 0.000 1.036 343 R CB 0.394 30.704 30.300 0.017 0.000 0.899 343 R HN 0.551 nan 8.270 nan 0.000 0.473 344 I N -0.796 119.782 120.570 0.012 0.000 2.499 344 I HA -0.151 4.019 4.170 -0.000 0.000 0.243 344 I C 2.291 178.416 176.117 0.013 0.000 1.085 344 I CA 0.607 61.912 61.300 0.008 0.000 1.422 344 I CB 0.010 38.012 38.000 0.004 0.000 1.165 344 I HN 0.045 nan 8.210 nan 0.000 0.440 345 Q N 0.982 120.789 119.800 0.012 0.000 2.046 345 Q HA -0.132 4.208 4.340 -0.000 0.000 0.200 345 Q C 2.082 178.105 176.000 0.038 0.000 0.975 345 Q CA 1.971 57.783 55.803 0.015 0.000 0.836 345 Q CB -0.300 28.437 28.738 -0.002 0.000 0.896 345 Q HN 0.294 nan 8.270 nan 0.000 0.428 346 V N -0.494 119.453 119.914 0.054 0.000 2.343 346 V HA -0.230 3.890 4.120 -0.000 0.000 0.247 346 V C 2.248 178.395 176.094 0.088 0.000 1.051 346 V CA 1.594 63.963 62.300 0.115 0.000 1.036 346 V CB -0.600 31.322 31.823 0.165 0.000 0.654 346 V HN 0.232 nan 8.190 nan 0.000 0.451 347 V N 0.149 120.095 119.914 0.052 0.000 2.307 347 V HA -0.234 3.885 4.120 -0.000 0.000 0.245 347 V C 2.713 178.822 176.094 0.024 0.000 1.045 347 V CA 1.974 64.292 62.300 0.031 0.000 1.024 347 V CB -1.045 30.787 31.823 0.015 0.000 0.651 347 V HN 0.555 nan 8.190 nan 0.000 0.449 348 A N 0.098 122.932 122.820 0.024 0.000 1.865 348 A HA -0.280 4.040 4.320 -0.000 0.000 0.217 348 A C 1.995 179.595 177.584 0.025 0.000 1.191 348 A CA 2.218 54.266 52.037 0.019 0.000 0.623 348 A CB -0.734 18.276 19.000 0.017 0.000 0.826 348 A HN 0.558 nan 8.150 nan 0.000 0.444 349 D N 0.031 120.456 120.400 0.041 0.000 2.117 349 D HA -0.054 4.586 4.640 -0.000 0.000 0.197 349 D C 2.261 178.589 176.300 0.046 0.000 0.987 349 D CA 1.565 55.596 54.000 0.052 0.000 0.829 349 D CB -0.573 40.275 40.800 0.080 0.000 0.961 349 D HN 0.433 nan 8.370 nan 0.000 0.460 350 A N 0.956 123.804 122.820 0.046 0.000 1.858 350 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 350 A C 2.432 180.017 177.584 0.002 0.000 1.190 350 A CA 1.084 53.135 52.037 0.024 0.000 0.617 350 A CB -0.883 18.127 19.000 0.018 0.000 0.827 350 A HN 0.199 nan 8.150 nan 0.000 0.443 351 L N -0.461 120.760 121.223 -0.004 0.000 2.093 351 L HA -0.163 4.176 4.340 -0.000 0.000 0.208 351 L C 2.256 179.104 176.870 -0.037 0.000 1.085 351 L CA 1.060 55.885 54.840 -0.025 0.000 0.755 351 L CB -0.704 41.343 42.059 -0.020 0.000 0.904 351 L HN 0.364 nan 8.230 nan 0.000 0.435 352 N N 0.072 118.765 118.700 -0.011 0.000 2.223 352 N HA -0.152 4.588 4.740 -0.000 0.000 0.185 352 N C 2.061 177.572 175.510 0.003 0.000 1.016 352 N CA 1.703 54.750 53.050 -0.004 0.000 0.863 352 N CB -0.203 38.294 38.487 0.016 0.000 0.983 352 N HN 0.361 nan 8.380 nan 0.000 0.429 353 S N -0.716 114.994 115.700 0.016 0.000 2.515 353 S HA 0.051 4.521 4.470 -0.000 0.000 0.231 353 S C 1.795 176.413 174.600 0.031 0.000 0.987 353 S CA 0.524 58.758 58.200 0.057 0.000 0.936 353 S CB 0.007 63.241 63.200 0.056 0.000 0.766 353 S HN 0.219 nan 8.310 nan 0.000 0.528 354 M N -0.102 119.419 119.600 -0.132 0.000 2.858 354 M HA 0.329 4.809 4.480 -0.000 0.000 0.255 354 M C 2.215 178.068 176.300 -0.745 0.000 1.336 354 M CA 1.166 56.251 55.300 -0.357 0.000 1.220 354 M CB 0.165 32.665 32.600 -0.166 0.000 1.252 354 M HN 0.503 nan 8.290 nan 0.000 0.538 355 G N -0.524 108.055 108.800 -0.369 0.000 2.597 355 G HA2 0.580 4.540 3.960 -0.000 0.000 0.196 355 G HA3 0.580 4.540 3.960 -0.000 0.000 0.196 355 G C 0.259 175.088 174.900 -0.119 0.000 1.176 355 G CA 0.504 45.444 45.100 -0.266 0.000 0.747 355 G HN 0.651 nan 8.290 nan 0.000 0.821 356 A N -0.079 122.692 122.820 -0.082 0.000 5.551 356 A HA 0.254 4.573 4.320 -0.000 0.000 0.463 356 A C 0.337 177.914 177.584 -0.012 0.000 1.540 356 A CA 0.766 52.789 52.037 -0.024 0.000 0.523 356 A CB -1.355 17.651 19.000 0.011 0.000 2.585 356 A HN 1.528 nan 8.150 nan 0.000 0.451 357 D N -1.859 118.542 120.400 0.001 0.000 2.823 357 D HA -0.116 4.524 4.640 -0.000 0.000 0.248 357 D C -0.560 175.740 176.300 0.000 0.000 1.076 357 D CA 1.687 55.689 54.000 0.003 0.000 0.760 357 D CB -1.340 39.462 40.800 0.004 0.000 1.065 357 D HN 1.186 nan 8.370 nan 0.000 0.432 358 I N 0.653 121.224 120.570 0.002 0.000 2.499 358 I HA 0.224 4.394 4.170 -0.000 0.000 0.288 358 I C 0.142 176.262 176.117 0.005 0.000 1.048 358 I CA -0.551 60.750 61.300 0.001 0.000 1.062 358 I CB 2.232 40.231 38.000 -0.000 0.000 1.238 358 I HN -0.143 nan 8.210 nan 0.000 0.426 359 T N 7.316 121.872 114.554 0.004 0.000 2.801 359 T HA 0.339 4.689 4.350 -0.000 0.000 0.306 359 T C -2.475 172.227 174.700 0.004 0.000 1.020 359 T CA -1.298 60.805 62.100 0.005 0.000 0.948 359 T CB 1.029 69.899 68.868 0.004 0.000 0.962 359 T HN 0.325 nan 8.240 nan 0.000 0.465 360 P HA 0.230 nan 4.420 nan 0.000 0.275 360 P C -0.168 177.134 177.300 0.002 0.000 1.227 360 P CA -0.207 62.895 63.100 0.004 0.000 0.781 360 P CB 0.836 32.539 31.700 0.006 0.000 0.906 361 T N -1.868 112.687 114.554 0.001 0.000 2.858 361 T HA 0.588 4.938 4.350 -0.000 0.000 0.285 361 T C 1.223 175.923 174.700 -0.000 0.000 1.052 361 T CA -0.340 61.760 62.100 0.000 0.000 1.009 361 T CB 1.036 69.904 68.868 0.000 0.000 1.241 361 T HN 0.228 nan 8.240 nan 0.000 0.542 362 A N 0.417 123.236 122.820 -0.001 0.000 2.067 362 A HA 0.094 4.414 4.320 -0.000 0.000 0.219 362 A C 1.402 178.986 177.584 -0.001 0.000 1.158 362 A CA 1.537 53.573 52.037 -0.001 0.000 0.661 362 A CB -0.731 18.268 19.000 -0.002 0.000 0.801 362 A HN 0.927 nan 8.150 nan 0.000 0.452 363 D N -3.055 117.345 120.400 -0.001 0.000 2.620 363 D HA 0.424 5.064 4.640 -0.000 0.000 0.260 363 D C 0.536 176.835 176.300 -0.001 0.000 1.367 363 D CA 0.722 54.722 54.000 -0.001 0.000 0.805 363 D CB -0.120 40.679 40.800 -0.001 0.000 1.096 363 D HN 0.457 nan 8.370 nan 0.000 0.488 364 G N 0.234 109.034 108.800 -0.001 0.000 2.513 364 G HA2 0.423 4.383 3.960 -0.000 0.000 0.182 364 G HA3 0.423 4.383 3.960 -0.000 0.000 0.182 364 G C -1.446 173.454 174.900 -0.001 0.000 1.190 364 G CA -0.149 44.950 45.100 -0.001 0.000 0.987 364 G HN 0.427 nan 8.290 nan 0.000 0.479 365 M N -1.009 118.590 119.600 -0.002 0.000 2.643 365 M HA 0.754 5.234 4.480 -0.000 0.000 0.276 365 M C -1.933 174.366 176.300 -0.002 0.000 1.200 365 M CA -0.908 54.392 55.300 -0.001 0.000 0.863 365 M CB 2.072 34.671 32.600 -0.001 0.000 1.711 365 M HN 0.412 nan 8.290 nan 0.000 0.492 366 I N 2.582 123.151 120.570 -0.001 0.000 2.378 366 I HA 0.535 4.705 4.170 -0.000 0.000 0.291 366 I C -1.085 175.031 176.117 -0.001 0.000 0.992 366 I CA -0.727 60.572 61.300 -0.001 0.000 1.154 366 I CB 1.850 39.850 38.000 0.000 0.000 1.315 366 I HN 0.598 nan 8.210 nan 0.000 0.448 367 I N 5.874 126.442 120.570 -0.003 0.000 2.389 367 I HA 0.283 4.453 4.170 -0.000 0.000 0.288 367 I C -0.221 175.895 176.117 -0.003 0.000 0.999 367 I CA -0.814 60.483 61.300 -0.004 0.000 1.129 367 I CB 1.685 39.681 38.000 -0.007 0.000 1.288 367 I HN 0.418 nan 8.210 nan 0.000 0.444 368 K N 5.354 125.753 120.400 -0.001 0.000 2.263 368 K HA 0.454 4.774 4.320 -0.000 0.000 0.282 368 K C 0.138 176.737 176.600 -0.001 0.000 1.089 368 K CA -0.199 56.088 56.287 0.000 0.000 0.907 368 K CB 0.874 33.376 32.500 0.002 0.000 1.148 368 K HN 0.715 nan 8.250 nan 0.000 0.470 369 G N 3.066 111.866 108.800 -0.001 0.000 2.527 369 G HA2 0.281 4.241 3.960 -0.000 0.000 0.248 369 G HA3 0.281 4.241 3.960 -0.000 0.000 0.248 369 G C -0.748 174.152 174.900 0.001 0.000 1.231 369 G CA -0.280 44.819 45.100 -0.001 0.000 0.838 369 G HN 0.591 nan 8.290 nan 0.000 0.570 370 K N -0.213 120.187 120.400 -0.000 0.000 4.021 370 K HA -0.135 4.185 4.320 -0.000 0.000 0.363 370 K C -0.348 176.253 176.600 0.002 0.000 1.144 370 K CA 0.430 56.718 56.287 0.002 0.000 1.015 370 K CB -1.753 30.750 32.500 0.005 0.000 1.492 370 K HN 0.650 nan 8.250 nan 0.000 0.432 371 S N 0.458 116.156 115.700 -0.004 0.000 2.472 371 S HA 0.732 5.202 4.470 -0.000 0.000 0.303 371 S C 0.023 174.618 174.600 -0.008 0.000 1.099 371 S CA -0.369 57.827 58.200 -0.006 0.000 1.077 371 S CB 1.919 65.107 63.200 -0.020 0.000 1.031 371 S HN 0.508 nan 8.310 nan 0.000 0.487 372 A N 3.525 126.347 122.820 0.003 0.000 2.362 372 A HA 0.582 4.902 4.320 -0.000 0.000 0.276 372 A C -0.115 177.461 177.584 -0.015 0.000 1.153 372 A CA -0.523 51.519 52.037 0.009 0.000 0.813 372 A CB -0.160 18.859 19.000 0.031 0.000 1.081 372 A HN 0.832 nan 8.150 nan 0.000 0.507 373 L N 2.990 124.192 121.223 -0.034 0.000 2.357 373 L HA 0.547 4.887 4.340 -0.000 0.000 0.273 373 L C 0.368 177.211 176.870 -0.045 0.000 1.080 373 L CA -0.725 54.050 54.840 -0.108 0.000 0.803 373 L CB 1.051 43.058 42.059 -0.087 0.000 1.174 373 L HN 1.019 nan 8.230 nan 0.000 0.443 374 H N -0.318 118.760 119.070 0.013 0.000 2.908 374 H HA 0.668 5.224 4.556 -0.000 0.000 0.350 374 H C 0.004 175.339 175.328 0.010 0.000 1.217 374 H CA -0.817 55.238 56.048 0.011 0.000 1.168 374 H CB 0.491 30.259 29.762 0.010 0.000 1.891 374 H HN 0.599 nan 8.280 nan 0.000 0.566 375 G N -0.485 108.480 108.800 0.275 0.000 2.720 375 G HA2 0.444 4.404 3.960 -0.000 0.000 0.237 375 G HA3 0.444 4.404 3.960 -0.000 0.000 0.237 375 G C -0.407 174.620 174.900 0.212 0.000 1.239 375 G CA 0.448 45.653 45.100 0.173 0.000 0.847 375 G HN 1.240 nan 8.290 nan 0.000 0.593 376 A N 0.337 123.219 122.820 0.104 0.000 2.481 376 A HA 0.670 4.990 4.320 -0.000 0.000 0.295 376 A C -0.586 177.018 177.584 0.034 0.000 0.986 376 A CA -0.541 51.544 52.037 0.080 0.000 0.617 376 A CB 0.667 19.723 19.000 0.092 0.000 1.364 376 A HN 1.047 nan 8.150 nan 0.000 0.452 377 R N 0.612 121.123 120.500 0.018 0.000 2.387 377 R HA 0.706 5.046 4.340 -0.000 0.000 0.314 377 R C -1.740 174.543 176.300 -0.029 0.000 0.958 377 R CA -0.342 55.753 56.100 -0.009 0.000 0.846 377 R CB 1.515 31.808 30.300 -0.012 0.000 1.147 377 R HN 0.666 nan 8.270 nan 0.000 0.447 378 V N 3.942 123.823 119.914 -0.057 0.000 2.604 378 V HA 0.343 4.463 4.120 -0.000 0.000 0.305 378 V C -0.573 175.409 176.094 -0.187 0.000 1.043 378 V CA -0.977 61.264 62.300 -0.099 0.000 0.888 378 V CB 1.943 33.725 31.823 -0.067 0.000 0.995 378 V HN 0.836 nan 8.190 nan 0.000 0.429 379 N N 1.884 120.369 118.700 -0.358 0.000 2.400 379 N HA 0.305 5.045 4.740 -0.000 0.000 0.288 379 N C 0.951 176.065 175.510 -0.660 0.000 1.024 379 N CA -0.299 52.402 53.050 -0.582 0.000 0.894 379 N CB 1.875 39.795 38.487 -0.946 0.000 1.173 379 N HN 0.655 nan 8.380 nan 0.000 0.487 380 T N 2.836 117.170 114.554 -0.367 0.000 2.833 380 T HA -0.071 4.278 4.350 -0.000 0.000 0.269 380 T C 0.212 174.884 174.700 -0.047 0.000 1.054 380 T CA 0.915 62.912 62.100 -0.172 0.000 1.135 380 T CB -0.533 68.289 68.868 -0.076 0.000 0.869 380 T HN 0.706 nan 8.240 nan 0.000 0.466 381 F N -0.216 119.743 119.950 0.015 0.000 3.084 381 F HA -0.248 4.279 4.527 -0.000 0.000 0.286 381 F C 1.297 177.111 175.800 0.024 0.000 0.855 381 F CA 0.156 58.166 58.000 0.018 0.000 1.091 381 F CB -2.045 36.964 39.000 0.015 0.000 1.177 381 F HN 0.381 nan 8.300 nan 0.000 0.542 382 G N 0.065 108.953 108.800 0.146 0.000 2.143 382 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.249 382 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.249 382 G C -0.333 174.640 174.900 0.121 0.000 0.981 382 G CA 0.186 45.353 45.100 0.111 0.000 0.665 382 G HN 0.532 nan 8.290 nan 0.000 0.528 383 D N 0.349 120.828 120.400 0.131 0.000 2.427 383 D HA 0.359 4.999 4.640 -0.000 0.000 0.226 383 D C 1.868 178.240 176.300 0.120 0.000 1.076 383 D CA -0.342 53.754 54.000 0.161 0.000 0.849 383 D CB 0.229 41.103 40.800 0.124 0.000 1.052 383 D HN 0.380 nan 8.370 nan 0.000 0.515 384 H N 4.775 123.822 119.070 -0.039 0.000 2.390 384 H HA -0.145 4.411 4.556 -0.000 0.000 0.298 384 H C 1.019 176.228 175.328 -0.197 0.000 1.106 384 H CA 1.192 57.166 56.048 -0.122 0.000 1.297 384 H CB -0.142 29.561 29.762 -0.098 0.000 1.375 384 H HN 0.398 nan 8.280 nan 0.000 0.509 385 R N 0.117 120.238 120.500 -0.631 0.000 2.148 385 R HA 0.016 4.356 4.340 -0.000 0.000 0.223 385 R C 2.363 178.566 176.300 -0.161 0.000 1.088 385 R CA 0.910 56.791 56.100 -0.366 0.000 0.985 385 R CB 0.099 30.234 30.300 -0.275 0.000 0.880 385 R HN 0.291 nan 8.270 nan 0.000 0.451 386 I N 0.563 121.058 120.570 -0.125 0.000 2.353 386 I HA -0.090 4.080 4.170 -0.000 0.000 0.248 386 I C 2.459 178.503 176.117 -0.122 0.000 1.119 386 I CA 1.367 62.627 61.300 -0.067 0.000 1.417 386 I CB -1.583 36.410 38.000 -0.012 0.000 1.078 386 I HN 0.208 nan 8.210 nan 0.000 0.421 387 G N 0.702 109.393 108.800 -0.181 0.000 2.433 387 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.216 387 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.216 387 G C 1.740 176.407 174.900 -0.389 0.000 1.186 387 G CA 0.472 45.441 45.100 -0.217 0.000 0.779 387 G HN 0.249 nan 8.290 nan 0.000 0.543 388 M N -0.012 119.133 119.600 -0.759 0.000 2.229 388 M HA 0.092 4.572 4.480 -0.000 0.000 0.264 388 M C 2.549 178.536 176.300 -0.521 0.000 1.063 388 M CA 1.083 55.620 55.300 -1.273 0.000 1.114 388 M CB -0.247 30.850 32.600 -2.505 0.000 1.387 388 M HN 0.342 nan 8.290 nan 0.000 0.420 389 M N -0.012 119.481 119.600 -0.178 0.000 2.086 389 M HA -0.177 4.303 4.480 -0.000 0.000 0.261 389 M C 1.756 178.054 176.300 -0.004 0.000 1.067 389 M CA 1.794 57.120 55.300 0.044 0.000 1.116 389 M CB -0.234 32.397 32.600 0.052 0.000 1.348 389 M HN 0.136 nan 8.290 nan 0.000 0.407 390 T N 1.181 115.710 114.554 -0.041 0.000 2.788 390 T HA -0.037 4.313 4.350 -0.000 0.000 0.268 390 T C 1.861 176.581 174.700 0.033 0.000 1.044 390 T CA 1.437 63.532 62.100 -0.008 0.000 1.139 390 T CB -0.530 68.327 68.868 -0.018 0.000 0.867 390 T HN 0.603 nan 8.240 nan 0.000 0.454 391 A N 2.051 124.899 122.820 0.046 0.000 1.908 391 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 391 A C 2.338 180.014 177.584 0.155 0.000 1.181 391 A CA 1.707 53.848 52.037 0.174 0.000 0.627 391 A CB -0.828 18.365 19.000 0.322 0.000 0.818 391 A HN 0.727 nan 8.150 nan 0.000 0.445 392 I N -2.781 117.862 120.570 0.121 0.000 2.286 392 I HA -0.005 4.165 4.170 -0.000 0.000 0.245 392 I C 2.490 178.653 176.117 0.077 0.000 1.104 392 I CA 1.298 62.668 61.300 0.116 0.000 1.397 392 I CB -0.756 37.312 38.000 0.114 0.000 1.072 392 I HN 0.178 nan 8.210 nan 0.000 0.417 393 A N 1.769 124.621 122.820 0.053 0.000 1.908 393 A HA -0.058 4.261 4.320 -0.000 0.000 0.218 393 A C 2.582 180.183 177.584 0.028 0.000 1.181 393 A CA 2.060 54.114 52.037 0.028 0.000 0.627 393 A CB -1.036 17.969 19.000 0.008 0.000 0.818 393 A HN 0.602 nan 8.150 nan 0.000 0.445 394 A N -0.222 122.624 122.820 0.043 0.000 2.024 394 A HA -0.061 4.259 4.320 -0.000 0.000 0.220 394 A C 2.080 179.690 177.584 0.043 0.000 1.164 394 A CA 1.450 53.513 52.037 0.043 0.000 0.643 394 A CB -0.624 18.413 19.000 0.061 0.000 0.806 394 A HN 0.510 nan 8.150 nan 0.000 0.451 395 L N -0.777 120.476 121.223 0.051 0.000 2.127 395 L HA -0.156 4.184 4.340 -0.000 0.000 0.211 395 L C 2.001 178.886 176.870 0.025 0.000 1.089 395 L CA 0.881 55.744 54.840 0.038 0.000 0.757 395 L CB -0.449 41.639 42.059 0.049 0.000 0.899 395 L HN 0.384 nan 8.230 nan 0.000 0.434 396 L N -0.754 120.484 121.223 0.025 0.000 2.591 396 L HA 0.057 4.397 4.340 -0.000 0.000 0.228 396 L C 0.543 177.424 176.870 0.018 0.000 1.133 396 L CA -0.289 54.562 54.840 0.019 0.000 0.880 396 L CB 0.019 42.086 42.059 0.014 0.000 1.033 396 L HN -0.036 nan 8.230 nan 0.000 0.450 397 V N 1.192 121.119 119.914 0.022 0.000 2.415 397 V HA 0.090 4.210 4.120 -0.000 0.000 0.267 397 V C 1.342 177.457 176.094 0.035 0.000 1.042 397 V CA 0.383 62.702 62.300 0.031 0.000 1.000 397 V CB 0.900 32.745 31.823 0.038 0.000 1.015 397 V HN 0.310 nan 8.190 nan 0.000 0.478 398 A N 4.023 126.866 122.820 0.038 0.000 1.898 398 A HA 0.035 4.355 4.320 -0.000 0.000 0.214 398 A C 0.915 178.521 177.584 0.037 0.000 1.183 398 A CA 0.865 52.923 52.037 0.035 0.000 0.622 398 A CB 0.017 19.038 19.000 0.035 0.000 0.824 398 A HN 0.697 nan 8.150 nan 0.000 0.444 399 D N -1.941 118.487 120.400 0.047 0.000 2.620 399 D HA 0.517 5.157 4.640 -0.000 0.000 0.252 399 D C -0.072 176.258 176.300 0.050 0.000 1.207 399 D CA 1.184 55.208 54.000 0.041 0.000 0.884 399 D CB 1.236 42.057 40.800 0.035 0.000 1.262 399 D HN 0.688 nan 8.370 nan 0.000 0.552 400 G N 2.064 110.886 108.800 0.038 0.000 2.354 400 G HA2 0.182 4.142 3.960 -0.000 0.000 0.582 400 G HA3 0.182 4.142 3.960 -0.000 0.000 0.582 400 G C -1.306 173.616 174.900 0.036 0.000 1.316 400 G CA -0.841 44.282 45.100 0.038 0.000 0.995 400 G HN 0.333 nan 8.290 nan 0.000 0.573 401 E N -1.488 118.733 120.200 0.034 0.000 2.336 401 E HA 0.707 5.057 4.350 -0.000 0.000 0.267 401 E C -0.924 175.694 176.600 0.031 0.000 0.906 401 E CA -0.729 55.687 56.400 0.026 0.000 0.781 401 E CB 2.209 31.917 29.700 0.013 0.000 1.261 401 E HN 1.243 nan 8.360 nan 0.000 0.436 402 V N 2.215 122.142 119.914 0.022 0.000 2.483 402 V HA 0.401 4.521 4.120 -0.000 0.000 0.297 402 V C -1.170 174.927 176.094 0.005 0.000 1.027 402 V CA -0.502 61.810 62.300 0.020 0.000 0.855 402 V CB 1.606 33.445 31.823 0.027 0.000 0.995 402 V HN 0.462 nan 8.190 nan 0.000 0.424 403 E N 5.960 126.158 120.200 -0.004 0.000 2.166 403 E HA 0.404 4.754 4.350 -0.000 0.000 0.275 403 E C -1.013 175.571 176.600 -0.028 0.000 0.941 403 E CA -0.398 55.990 56.400 -0.019 0.000 0.784 403 E CB 2.447 32.134 29.700 -0.022 0.000 1.115 403 E HN 0.647 nan 8.360 nan 0.000 0.399 404 L N 4.084 125.288 121.223 -0.032 0.000 2.318 404 L HA 0.278 4.618 4.340 -0.000 0.000 0.277 404 L C -0.663 176.175 176.870 -0.054 0.000 1.008 404 L CA -0.519 54.298 54.840 -0.037 0.000 0.846 404 L CB 0.891 42.954 42.059 0.007 0.000 1.220 404 L HN 0.326 nan 8.230 nan 0.000 0.423 405 D N 4.272 124.621 120.400 -0.085 0.000 2.304 405 D HA 0.141 4.781 4.640 -0.000 0.000 0.247 405 D C 0.633 176.881 176.300 -0.087 0.000 1.089 405 D CA -0.123 53.826 54.000 -0.086 0.000 0.910 405 D CB 1.242 41.978 40.800 -0.106 0.000 1.199 405 D HN 0.417 nan 8.370 nan 0.000 0.426 406 R N 0.897 121.366 120.500 -0.052 0.000 3.422 406 R HA -0.283 4.057 4.340 -0.000 0.000 0.267 406 R C 0.601 176.893 176.300 -0.013 0.000 1.074 406 R CA 0.533 56.615 56.100 -0.029 0.000 0.718 406 R CB -1.442 28.835 30.300 -0.038 0.000 1.157 406 R HN 0.531 nan 8.270 nan 0.000 0.440 407 A N 1.009 123.830 122.820 0.003 0.000 2.067 407 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 407 A C 1.837 179.468 177.584 0.079 0.000 1.158 407 A CA 1.340 53.407 52.037 0.051 0.000 0.661 407 A CB -0.302 18.747 19.000 0.081 0.000 0.801 407 A HN 0.715 nan 8.150 nan 0.000 0.452 408 E N 0.768 121.002 120.200 0.057 0.000 2.401 408 E HA -0.082 4.268 4.350 -0.000 0.000 0.199 408 E C 1.588 178.218 176.600 0.049 0.000 1.023 408 E CA 1.073 57.511 56.400 0.065 0.000 0.859 408 E CB -0.787 28.941 29.700 0.046 0.000 0.780 408 E HN 0.501 nan 8.360 nan 0.000 0.523 409 A N 1.614 124.456 122.820 0.037 0.000 2.070 409 A HA -0.070 4.250 4.320 -0.000 0.000 0.220 409 A C 2.304 179.910 177.584 0.037 0.000 1.159 409 A CA 0.996 53.054 52.037 0.036 0.000 0.656 409 A CB -0.699 18.328 19.000 0.045 0.000 0.800 409 A HN 0.298 nan 8.150 nan 0.000 0.453 410 I N 0.324 120.902 120.570 0.013 0.000 2.454 410 I HA -0.242 3.928 4.170 -0.000 0.000 0.254 410 I C 1.378 177.505 176.117 0.018 0.000 1.156 410 I CA 0.785 62.061 61.300 -0.040 0.000 1.433 410 I CB -0.438 37.446 38.000 -0.194 0.000 1.082 410 I HN 0.294 nan 8.210 nan 0.000 0.432 411 N N 0.272 118.996 118.700 0.041 0.000 2.585 411 N HA -0.118 4.621 4.740 -0.000 0.000 0.188 411 N C 1.677 177.195 175.510 0.013 0.000 1.102 411 N CA 0.928 54.010 53.050 0.053 0.000 0.920 411 N CB -0.360 38.161 38.487 0.056 0.000 0.963 411 N HN 0.300 nan 8.380 nan 0.000 0.447 412 T N -0.384 114.149 114.554 -0.035 0.000 2.867 412 T HA -0.065 4.285 4.350 -0.000 0.000 0.268 412 T C 1.736 176.345 174.700 -0.152 0.000 1.057 412 T CA 1.627 63.651 62.100 -0.127 0.000 1.136 412 T CB 0.044 68.759 68.868 -0.256 0.000 0.874 412 T HN 0.506 nan 8.240 nan 0.000 0.466 413 S N -1.734 113.922 115.700 -0.073 0.000 2.733 413 S HA 0.240 4.710 4.470 -0.000 0.000 0.270 413 S C -0.046 174.624 174.600 0.116 0.000 1.062 413 S CA -0.731 57.469 58.200 -0.001 0.000 1.256 413 S CB 0.170 63.403 63.200 0.055 0.000 1.187 413 S HN 0.538 nan 8.310 nan 0.000 0.666 414 Y N 1.812 122.115 120.300 0.005 0.000 2.542 414 Y HA 0.347 4.897 4.550 -0.000 0.000 0.316 414 Y C -2.725 173.213 175.900 0.063 0.000 1.107 414 Y CA -1.939 56.188 58.100 0.044 0.000 1.233 414 Y CB 1.319 39.789 38.460 0.016 0.000 1.111 414 Y HN 0.069 nan 8.280 nan 0.000 0.613 415 P HA -0.201 nan 4.420 nan 0.000 0.216 415 P C 1.087 178.523 177.300 0.227 0.000 1.150 415 P CA 1.957 65.179 63.100 0.202 0.000 0.843 415 P CB 0.215 32.001 31.700 0.143 0.000 0.787 416 S N -2.699 113.190 115.700 0.315 0.000 2.622 416 S HA 0.104 4.574 4.470 -0.000 0.000 0.236 416 S C 1.332 176.001 174.600 0.116 0.000 0.956 416 S CA -0.615 57.729 58.200 0.240 0.000 0.971 416 S CB -1.491 61.854 63.200 0.242 0.000 0.782 416 S HN -0.034 nan 8.310 nan 0.000 0.468 417 F N 2.675 122.420 119.950 -0.343 0.000 2.043 417 F HA -0.147 4.380 4.527 -0.000 0.000 0.297 417 F C 1.441 176.971 175.800 -0.450 0.000 1.118 417 F CA 1.492 58.920 58.000 -0.953 0.000 1.202 417 F CB -0.599 37.680 39.000 -1.200 0.000 0.965 417 F HN 0.289 nan 8.300 nan 0.000 0.482 418 F N 0.685 120.553 119.950 -0.136 0.000 2.293 418 F HA -0.138 4.389 4.527 -0.000 0.000 0.300 418 F C 2.324 178.037 175.800 -0.145 0.000 1.086 418 F CA 1.385 59.282 58.000 -0.172 0.000 1.375 418 F CB -0.977 38.014 39.000 -0.015 0.000 1.045 418 F HN 0.004 nan 8.300 nan 0.000 0.516 419 D N 0.155 120.595 120.400 0.067 0.000 2.144 419 D HA -0.144 4.495 4.640 -0.000 0.000 0.200 419 D C 1.782 178.052 176.300 -0.052 0.000 0.978 419 D CA 1.268 55.289 54.000 0.035 0.000 0.833 419 D CB -0.320 40.520 40.800 0.066 0.000 0.961 419 D HN 0.201 nan 8.370 nan 0.000 0.470 420 D N -0.021 120.313 120.400 -0.111 0.000 2.149 420 D HA -0.093 4.547 4.640 -0.000 0.000 0.201 420 D C 2.111 178.149 176.300 -0.437 0.000 0.972 420 D CA 0.181 54.041 54.000 -0.234 0.000 0.835 420 D CB -0.243 40.465 40.800 -0.154 0.000 0.966 420 D HN 0.133 nan 8.370 nan 0.000 0.476 421 L N 1.332 122.317 121.223 -0.396 0.000 2.017 421 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 421 L C 1.857 178.575 176.870 -0.253 0.000 1.073 421 L CA 1.772 56.412 54.840 -0.334 0.000 0.745 421 L CB -0.440 41.509 42.059 -0.183 0.000 0.894 421 L HN -0.143 nan 8.230 nan 0.000 0.432 422 E N 0.000 120.100 120.200 -0.167 0.000 2.118 422 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 422 E C 2.312 178.789 176.600 -0.206 0.000 0.992 422 E CA 1.524 57.821 56.400 -0.171 0.000 0.804 422 E CB -0.425 29.253 29.700 -0.037 0.000 0.741 422 E HN 0.777 nan 8.360 nan 0.000 0.458 423 S N 0.225 115.833 115.700 -0.152 0.000 2.447 423 S HA -0.025 4.444 4.470 -0.000 0.000 0.233 423 S C 2.095 176.606 174.600 -0.149 0.000 1.006 423 S CA 0.485 58.622 58.200 -0.105 0.000 0.957 423 S CB -0.294 62.844 63.200 -0.103 0.000 0.773 423 S HN 0.167 nan 8.310 nan 0.000 0.507 424 L N 0.180 121.256 121.223 -0.246 0.000 2.307 424 L HA 0.239 4.579 4.340 -0.000 0.000 0.211 424 L C 2.438 179.186 176.870 -0.204 0.000 1.099 424 L CA 0.511 55.213 54.840 -0.229 0.000 0.816 424 L CB -0.417 41.441 42.059 -0.336 0.000 0.952 424 L HN 0.280 nan 8.230 nan 0.000 0.455 425 I N -0.811 119.573 120.570 -0.309 0.000 2.179 425 I HA -0.215 3.955 4.170 -0.000 0.000 0.242 425 I C 0.795 176.720 176.117 -0.321 0.000 1.088 425 I CA 0.779 61.837 61.300 -0.403 0.000 1.357 425 I CB -0.162 37.514 38.000 -0.540 0.000 1.051 425 I HN 0.256 nan 8.210 nan 0.000 0.409 426 H N 1.819 120.879 119.070 -0.017 0.000 2.934 426 H HA 0.409 4.965 4.556 -0.000 0.000 0.273 426 H C 0.651 176.038 175.328 0.097 0.000 1.121 426 H CA 0.608 56.684 56.048 0.047 0.000 1.451 426 H CB -0.215 29.559 29.762 0.021 0.000 1.469 426 H HN 0.397 nan 8.280 nan 0.000 0.476 427 G N 0.000 108.983 108.800 0.305 0.000 5.446 427 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 427 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 427 G CA 0.000 45.241 45.100 0.235 0.000 0.502 427 G HN 0.000 nan 8.290 nan 0.000 0.925