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 2aey_1_A DATA FIRST_RESID 2 DATA SEQUENCE QIEQPYRTGY HFQPPSNWMN DPNGPMLYQG VYHFFYQYNP YAATFGDVII DATA SEQUENCE WGHAVSYDLV NWIHLDPAIY PTQEADSKSC WSGSATILPG NIPAMLYTGS DATA SEQUENCE DSKSRQVQDL AWPKNLSDPF LREWVKHPKN PLITPPEGVK DDCFRDPSTA DATA SEQUENCE WLGPDGVWRI VVGGDRDNNG MAFLYQSTDF VNWKRYDQPL SSADATGTWE DATA SEQUENCE CPDFYPVPLN STNGLDTSVY GGSVRHVMKA GFEGHDWYTI GTYSPDRENF DATA SEQUENCE LPQNGLSLTG STLDLRYDYG QFYASKSFFD DAKNRRVLWA WVPETDSQAD DATA SEQUENCE DIEKGWAGLQ SFPRALWIDR NGKQLIQWPV EEIEELRQNQ VNLQNKNLKP DATA SEQUENCE GSVLEIHGIA ASQADVTISF KLEGLKEAEV LDTTLVDPQA LcNERGASSR DATA SEQUENCE GALGPFGLLA MASKDLKEQS AIFFRVFQNQ LGRYSVLMcS DLSRSTVRSN DATA SEQUENCE IDTTSYGAFV DIDPRSEEIS LRNLIDHSII ESFGAGGKTC ITSRIYPKFV DATA SEQUENCE NNEEAHLFVF NNGTQNVKIS EMSAWSMKNA KFVVDQS 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 2 Q HA 0.000 nan 4.340 nan 0.000 0.214 2 Q C 0.000 176.007 176.000 0.011 0.000 1.003 2 Q CA 0.000 55.813 55.803 0.017 0.000 1.022 2 Q CB 0.000 28.747 28.738 0.015 0.000 1.108 3 I N 1.688 122.260 120.570 0.003 0.000 2.466 3 I HA 0.400 4.569 4.170 -0.002 0.000 0.289 3 I C -0.010 176.090 176.117 -0.029 0.000 1.026 3 I CA -0.601 60.693 61.300 -0.011 0.000 1.078 3 I CB 2.104 40.097 38.000 -0.011 0.000 1.249 3 I HN 0.375 nan 8.210 nan 0.000 0.429 4 E N 5.103 125.287 120.200 -0.027 0.000 2.242 4 E HA 0.300 4.649 4.350 -0.002 0.000 0.275 4 E C -0.628 175.946 176.600 -0.042 0.000 1.002 4 E CA -0.644 55.741 56.400 -0.025 0.000 0.841 4 E CB 0.973 30.669 29.700 -0.008 0.000 1.109 4 E HN 0.344 nan 8.360 nan 0.000 0.394 5 Q N 0.709 120.499 119.800 -0.017 0.000 2.452 5 Q HA -0.148 4.191 4.340 -0.002 0.000 0.318 5 Q C -1.796 174.155 176.000 -0.082 0.000 1.386 5 Q CA 0.402 56.211 55.803 0.010 0.000 0.872 5 Q CB -1.186 27.541 28.738 -0.019 0.000 1.151 5 Q HN 0.581 nan 8.270 nan 0.000 0.417 6 P HA -0.123 nan 4.420 nan 0.000 0.234 6 P C 0.575 177.672 177.300 -0.338 0.000 1.167 6 P CA 1.185 64.087 63.100 -0.329 0.000 0.763 6 P CB 0.039 31.450 31.700 -0.481 0.000 0.835 7 Y N -0.473 119.908 120.300 0.134 0.000 2.442 7 Y HA 0.264 4.813 4.550 -0.002 0.000 0.250 7 Y C 1.515 177.531 175.900 0.194 0.000 1.113 7 Y CA -0.613 57.631 58.100 0.240 0.000 1.273 7 Y CB -0.230 38.483 38.460 0.423 0.000 1.138 7 Y HN -0.208 nan 8.280 nan 0.000 0.522 8 R N 1.104 121.648 120.500 0.074 0.000 2.590 8 R HA 0.164 4.503 4.340 -0.002 0.000 0.274 8 R C 0.819 176.939 176.300 -0.300 0.000 1.061 8 R CA 0.329 56.233 56.100 -0.327 0.000 1.081 8 R CB 0.381 30.369 30.300 -0.520 0.000 0.984 8 R HN 0.169 nan 8.270 nan 0.000 0.448 9 T N -1.137 113.272 114.554 -0.242 0.000 2.788 9 T HA 0.207 4.556 4.350 -0.002 0.000 0.287 9 T C 1.211 175.867 174.700 -0.074 0.000 1.007 9 T CA -0.286 61.752 62.100 -0.103 0.000 1.005 9 T CB 1.544 70.373 68.868 -0.065 0.000 1.012 9 T HN 0.614 nan 8.240 nan 0.000 0.530 10 G N -0.409 108.416 108.800 0.041 0.000 2.651 10 G HA2 0.132 4.091 3.960 -0.002 0.000 0.207 10 G HA3 0.132 4.091 3.960 -0.002 0.000 0.207 10 G C 0.703 175.769 174.900 0.276 0.000 1.131 10 G CA 0.166 45.351 45.100 0.141 0.000 0.816 10 G HN 0.936 nan 8.290 nan 0.000 0.534 11 Y N -0.895 119.594 120.300 0.316 0.000 2.675 11 Y HA 0.578 5.127 4.550 -0.001 0.000 0.248 11 Y C 0.000 176.115 175.900 0.359 0.000 1.161 11 Y CA -1.791 56.484 58.100 0.291 0.000 1.203 11 Y CB -0.734 37.815 38.460 0.148 0.000 1.262 11 Y HN 0.043 nan 8.280 nan 0.000 0.544 12 H N 0.998 120.230 119.070 0.270 0.000 2.463 12 H HA 0.322 4.877 4.556 -0.002 0.000 0.332 12 H C -1.029 174.468 175.328 0.280 0.000 1.127 12 H CA -1.093 55.148 56.048 0.322 0.000 1.238 12 H CB 1.017 30.859 29.762 0.133 0.000 1.478 12 H HN 0.237 nan 8.280 nan 0.000 0.499 13 F N 3.551 123.639 119.950 0.231 0.000 2.529 13 F HA 0.172 4.698 4.527 -0.002 0.000 0.365 13 F C -0.072 175.580 175.800 -0.246 0.000 1.102 13 F CA 0.168 58.143 58.000 -0.042 0.000 1.271 13 F CB 0.212 38.931 39.000 -0.468 0.000 1.120 13 F HN 0.588 nan 8.300 nan 0.000 0.579 14 Q N 7.557 126.530 119.800 -1.378 0.000 2.541 14 Q HA 0.359 4.698 4.340 -0.002 0.000 0.259 14 Q C -3.273 171.980 176.000 -1.245 0.000 0.974 14 Q CA -1.858 53.285 55.803 -1.099 0.000 0.955 14 Q CB 1.979 30.340 28.738 -0.628 0.000 1.517 14 Q HN 0.369 nan 8.270 nan 0.000 0.412 15 P HA 0.128 nan 4.420 nan 0.000 0.269 15 P C -2.046 174.807 177.300 -0.744 0.000 1.215 15 P CA -0.762 61.750 63.100 -0.980 0.000 0.780 15 P CB 0.415 31.618 31.700 -0.829 0.000 0.898 16 P HA -0.174 nan 4.420 nan 0.000 0.218 16 P C 0.368 177.488 177.300 -0.301 0.000 1.154 16 P CA 1.924 64.760 63.100 -0.440 0.000 0.872 16 P CB -0.036 31.462 31.700 -0.336 0.000 0.790 17 S N -5.243 110.346 115.700 -0.185 0.000 2.636 17 S HA 0.538 5.007 4.470 -0.002 0.000 0.266 17 S C -0.935 173.774 174.600 0.181 0.000 1.147 17 S CA -0.858 57.352 58.200 0.017 0.000 0.815 17 S CB 1.261 64.497 63.200 0.061 0.000 1.119 17 S HN 0.060 nan 8.310 nan 0.000 0.470 18 N N -0.848 118.031 118.700 0.298 0.000 6.884 18 N HA -0.125 4.614 4.740 -0.002 0.000 0.419 18 N C -1.294 174.487 175.510 0.452 0.000 0.937 18 N CA 0.693 53.962 53.050 0.365 0.000 1.199 18 N CB -0.911 37.804 38.487 0.381 0.000 0.842 18 N HN 0.920 nan 8.380 nan 0.000 0.253 19 W N 2.349 123.800 121.300 0.252 0.000 2.376 19 W HA 0.703 5.362 4.660 -0.002 0.000 0.322 19 W C -0.666 176.025 176.519 0.286 0.000 1.160 19 W CA -0.418 57.068 57.345 0.235 0.000 1.218 19 W CB 0.683 30.238 29.460 0.158 0.000 1.205 19 W HN 0.640 nan 8.180 nan 0.000 0.559 20 M N 6.834 126.118 119.600 -0.525 0.000 2.470 20 M HA 0.256 4.735 4.480 -0.002 0.000 0.285 20 M C -1.159 174.514 176.300 -1.045 0.000 1.213 20 M CA -0.414 54.612 55.300 -0.457 0.000 0.901 20 M CB 1.855 34.298 32.600 -0.262 0.000 1.718 20 M HN 0.680 nan 8.290 nan 0.000 0.469 21 N N 0.791 118.925 118.700 -0.943 0.000 3.356 21 N HA 0.263 5.002 4.740 -0.002 0.000 0.263 21 N C -1.509 173.350 175.510 -1.086 0.000 1.466 21 N CA -0.424 51.425 53.050 -2.003 0.000 0.870 21 N CB -0.392 36.763 38.487 -2.220 0.000 3.225 21 N HN 0.599 nan 8.380 nan 0.000 0.388 22 D N 3.343 123.291 120.400 -0.755 0.000 3.264 22 D HA 0.025 4.664 4.640 -0.002 0.000 0.213 22 D C -2.077 174.067 176.300 -0.260 0.000 1.112 22 D CA 0.335 54.173 54.000 -0.269 0.000 0.777 22 D CB -0.132 40.557 40.800 -0.184 0.000 1.156 22 D HN 0.266 nan 8.370 nan 0.000 0.556 23 P HA 0.093 nan 4.420 nan 0.000 0.274 23 P C -0.744 176.297 177.300 -0.433 0.000 1.231 23 P CA -0.334 62.632 63.100 -0.223 0.000 0.790 23 P CB 1.030 32.819 31.700 0.149 0.000 0.951 24 N N -0.742 117.489 118.700 -0.782 0.000 2.321 24 N HA 0.400 5.139 4.740 -0.002 0.000 0.290 24 N C -0.117 175.127 175.510 -0.443 0.000 1.212 24 N CA -0.901 51.698 53.050 -0.752 0.000 0.767 24 N CB 1.236 38.793 38.487 -1.552 0.000 1.494 24 N HN 0.523 nan 8.380 nan 0.000 0.479 25 G N 1.699 110.378 108.800 -0.202 0.000 2.098 25 G HA2 -0.191 3.768 3.960 -0.002 0.000 0.252 25 G HA3 -0.191 3.768 3.960 -0.002 0.000 0.252 25 G C -2.600 172.408 174.900 0.181 0.000 0.785 25 G CA -0.330 44.814 45.100 0.075 0.000 1.123 25 G HN 0.292 nan 8.290 nan 0.000 0.375 26 P HA 0.594 nan 4.420 nan 0.000 0.277 26 P C 0.328 177.515 177.300 -0.189 0.000 1.240 26 P CA -0.385 62.668 63.100 -0.077 0.000 0.798 26 P CB 1.179 32.899 31.700 0.034 0.000 0.979 27 M N 0.557 119.969 119.600 -0.314 0.000 2.956 27 M HA 0.528 5.007 4.480 -0.002 0.000 0.272 27 M C -2.197 174.187 176.300 0.141 0.000 1.132 27 M CA -1.089 54.186 55.300 -0.041 0.000 0.805 27 M CB 1.406 34.155 32.600 0.247 0.000 1.639 27 M HN 0.029 nan 8.290 nan 0.000 0.520 28 L N 2.525 123.933 121.223 0.308 0.000 2.345 28 L HA 0.611 4.950 4.340 -0.002 0.000 0.274 28 L C -2.230 174.806 176.870 0.276 0.000 0.999 28 L CA -0.168 54.800 54.840 0.214 0.000 0.849 28 L CB 1.160 43.311 42.059 0.153 0.000 1.220 28 L HN 0.695 nan 8.230 nan 0.000 0.422 29 Y N 4.482 124.899 120.300 0.195 0.000 2.331 29 Y HA 0.436 4.985 4.550 -0.001 0.000 0.334 29 Y C -0.005 175.982 175.900 0.145 0.000 0.960 29 Y CA -0.422 57.795 58.100 0.195 0.000 1.130 29 Y CB 1.150 39.763 38.460 0.255 0.000 1.164 29 Y HN 0.669 nan 8.280 nan 0.000 0.458 30 Q N 4.550 124.092 119.800 -0.430 0.000 2.439 30 Q HA -0.217 4.122 4.340 -0.002 0.000 0.325 30 Q C 1.089 177.029 176.000 -0.099 0.000 1.372 30 Q CA 1.444 57.058 55.803 -0.315 0.000 0.909 30 Q CB -1.615 26.900 28.738 -0.371 0.000 1.167 30 Q HN 1.403 nan 8.270 nan 0.000 0.418 31 G N -2.275 106.466 108.800 -0.099 0.000 2.189 31 G HA2 -0.343 3.616 3.960 -0.002 0.000 0.267 31 G HA3 -0.343 3.616 3.960 -0.002 0.000 0.267 31 G C 0.205 175.076 174.900 -0.049 0.000 0.975 31 G CA 0.334 45.388 45.100 -0.076 0.000 0.644 31 G HN 0.460 nan 8.290 nan 0.000 0.537 32 V N 0.310 120.191 119.914 -0.055 0.000 2.628 32 V HA 0.632 4.751 4.120 -0.002 0.000 0.306 32 V C -0.286 175.673 176.094 -0.224 0.000 1.045 32 V CA -1.238 61.001 62.300 -0.102 0.000 0.905 32 V CB 1.639 33.444 31.823 -0.030 0.000 0.997 32 V HN 0.200 nan 8.190 nan 0.000 0.436 33 Y N 3.541 123.780 120.300 -0.101 0.000 2.327 33 Y HA 0.457 5.006 4.550 -0.002 0.000 0.336 33 Y C 0.646 176.486 175.900 -0.101 0.000 1.035 33 Y CA -0.189 57.895 58.100 -0.025 0.000 1.165 33 Y CB 0.590 39.028 38.460 -0.036 0.000 1.181 33 Y HN 0.546 nan 8.280 nan 0.000 0.494 34 H N 3.769 123.002 119.070 0.273 0.000 2.469 34 H HA 0.345 4.900 4.556 -0.002 0.000 0.342 34 H C -1.391 173.948 175.328 0.018 0.000 1.115 34 H CA -0.682 55.459 56.048 0.154 0.000 1.204 34 H CB 1.981 31.873 29.762 0.216 0.000 1.492 34 H HN 0.605 nan 8.280 nan 0.000 0.499 35 F N 3.221 122.971 119.950 -0.334 0.000 2.569 35 F HA 0.461 4.987 4.527 -0.002 0.000 0.312 35 F C -1.978 173.284 175.800 -0.897 0.000 1.109 35 F CA -0.892 56.690 58.000 -0.698 0.000 0.919 35 F CB 1.111 39.406 39.000 -1.174 0.000 1.211 35 F HN 0.295 nan 8.300 nan 0.000 0.446 36 F N 4.777 123.887 119.950 -1.400 0.000 2.588 36 F HA 0.640 5.166 4.527 -0.002 0.000 0.314 36 F C -1.193 173.720 175.800 -1.479 0.000 1.069 36 F CA -1.035 56.296 58.000 -1.115 0.000 0.931 36 F CB 1.959 40.472 39.000 -0.811 0.000 1.260 36 F HN 0.441 nan 8.300 nan 0.000 0.465 37 Y N -1.175 118.646 120.300 -0.797 0.000 2.544 37 Y HA 0.523 5.072 4.550 -0.002 0.000 0.342 37 Y C -1.015 174.617 175.900 -0.447 0.000 1.062 37 Y CA -1.639 56.062 58.100 -0.665 0.000 1.023 37 Y CB 0.805 39.051 38.460 -0.357 0.000 1.308 37 Y HN 0.404 nan 8.280 nan 0.000 0.457 38 Q N 2.938 122.579 119.800 -0.265 0.000 2.274 38 Q HA 0.093 4.432 4.340 -0.002 0.000 0.280 38 Q C -1.476 174.649 176.000 0.209 0.000 1.047 38 Q CA 0.591 56.342 55.803 -0.088 0.000 0.907 38 Q CB 0.909 29.637 28.738 -0.016 0.000 1.171 38 Q HN 0.972 nan 8.270 nan 0.000 0.381 39 Y N 2.534 122.866 120.300 0.053 0.000 2.477 39 Y HA 0.269 4.818 4.550 -0.002 0.000 0.347 39 Y C -0.535 175.406 175.900 0.070 0.000 0.981 39 Y CA -1.166 57.019 58.100 0.140 0.000 1.033 39 Y CB 1.768 40.264 38.460 0.059 0.000 1.245 39 Y HN 0.554 nan 8.280 nan 0.000 0.455 40 N N 7.529 126.141 118.700 -0.147 0.000 2.816 40 N HA 0.283 5.022 4.740 -0.002 0.000 0.236 40 N C -2.271 172.737 175.510 -0.835 0.000 1.076 40 N CA -2.733 50.069 53.050 -0.413 0.000 0.902 40 N CB 1.183 39.526 38.487 -0.239 0.000 1.149 40 N HN 0.381 nan 8.380 nan 0.000 0.506 41 P HA -0.124 nan 4.420 nan 0.000 0.234 41 P C 0.026 176.889 177.300 -0.728 0.000 1.162 41 P CA 1.130 63.531 63.100 -1.164 0.000 0.759 41 P CB -0.073 30.998 31.700 -1.047 0.000 0.813 42 Y N -1.138 119.012 120.300 -0.250 0.000 2.483 42 Y HA 0.496 5.045 4.550 -0.002 0.000 0.258 42 Y C 1.579 177.430 175.900 -0.082 0.000 1.083 42 Y CA -0.395 57.621 58.100 -0.139 0.000 1.283 42 Y CB 0.641 39.022 38.460 -0.132 0.000 1.178 42 Y HN -0.029 nan 8.280 nan 0.000 0.515 43 A N -0.063 122.787 122.820 0.051 0.000 2.535 43 A HA 0.810 5.129 4.320 -0.002 0.000 0.296 43 A C -0.682 176.977 177.584 0.124 0.000 1.248 43 A CA -0.177 51.900 52.037 0.068 0.000 0.686 43 A CB 0.146 19.166 19.000 0.032 0.000 1.315 43 A HN 0.010 nan 8.150 nan 0.000 0.460 44 A N 0.102 123.009 122.820 0.144 0.000 2.713 44 A HA 0.588 4.907 4.320 -0.002 0.000 0.296 44 A C 0.360 178.121 177.584 0.296 0.000 1.255 44 A CA 0.826 53.010 52.037 0.245 0.000 0.955 44 A CB -0.908 18.192 19.000 0.167 0.000 1.149 44 A HN 1.802 nan 8.150 nan 0.000 0.538 45 T N -4.442 110.200 114.554 0.146 0.000 2.868 45 T HA 0.572 4.921 4.350 -0.002 0.000 0.306 45 T C -0.477 173.861 174.700 -0.604 0.000 1.224 45 T CA -0.697 61.354 62.100 -0.081 0.000 1.012 45 T CB 0.704 69.534 68.868 -0.062 0.000 1.221 45 T HN 0.166 nan 8.240 nan 0.000 0.499 46 F N 1.118 120.234 119.950 -1.389 0.000 2.626 46 F HA 0.487 5.012 4.527 -0.002 0.000 0.354 46 F C 0.982 176.469 175.800 -0.522 0.000 1.168 46 F CA 1.520 58.755 58.000 -1.274 0.000 1.368 46 F CB 0.130 38.583 39.000 -0.913 0.000 1.092 46 F HN 1.041 nan 8.300 nan 0.000 0.612 47 G N 2.598 110.929 108.800 -0.781 0.000 2.727 47 G HA2 0.203 4.162 3.960 -0.002 0.000 0.289 47 G HA3 0.203 4.162 3.960 -0.002 0.000 0.289 47 G C -0.681 174.051 174.900 -0.279 0.000 1.418 47 G CA -0.572 44.313 45.100 -0.358 0.000 0.818 47 G HN 0.480 nan 8.290 nan 0.000 0.486 48 D N -0.760 119.581 120.400 -0.098 0.000 2.349 48 D HA 0.057 4.696 4.640 -0.002 0.000 0.224 48 D C 0.415 176.679 176.300 -0.060 0.000 1.029 48 D CA 0.814 54.800 54.000 -0.023 0.000 0.879 48 D CB 1.027 41.828 40.800 0.001 0.000 0.906 48 D HN 0.022 nan 8.370 nan 0.000 0.528 49 V N 2.671 122.527 119.914 -0.098 0.000 2.447 49 V HA 0.250 4.369 4.120 -0.002 0.000 0.292 49 V C -0.491 175.503 176.094 -0.166 0.000 1.021 49 V CA -0.663 61.582 62.300 -0.091 0.000 0.850 49 V CB 2.337 34.182 31.823 0.037 0.000 1.005 49 V HN -0.084 nan 8.190 nan 0.000 0.426 50 I N 6.486 126.969 120.570 -0.145 0.000 2.418 50 I HA 0.551 4.720 4.170 -0.002 0.000 0.287 50 I C 0.053 176.165 176.117 -0.009 0.000 1.008 50 I CA -0.298 60.953 61.300 -0.082 0.000 1.104 50 I CB 1.789 39.835 38.000 0.077 0.000 1.264 50 I HN 0.618 nan 8.210 nan 0.000 0.438 51 I N 0.469 121.041 120.570 0.004 0.000 3.217 51 I HA 0.594 4.763 4.170 -0.002 0.000 0.308 51 I C -1.144 175.097 176.117 0.206 0.000 1.091 51 I CA -0.846 60.504 61.300 0.084 0.000 1.013 51 I CB 1.830 39.850 38.000 0.034 0.000 1.250 51 I HN 0.279 nan 8.210 nan 0.000 0.496 52 W N 1.987 123.165 121.300 -0.204 0.000 2.308 52 W HA 0.625 5.284 4.660 -0.002 0.000 0.311 52 W C 0.629 176.957 176.519 -0.319 0.000 1.088 52 W CA -0.526 56.636 57.345 -0.306 0.000 1.309 52 W CB 0.968 30.139 29.460 -0.482 0.000 1.229 52 W HN 0.645 nan 8.180 nan 0.000 0.427 53 G N 2.151 110.627 108.800 -0.541 0.000 2.569 53 G HA2 0.294 4.253 3.960 -0.002 0.000 0.249 53 G HA3 0.294 4.253 3.960 -0.002 0.000 0.249 53 G C -1.344 173.192 174.900 -0.606 0.000 1.216 53 G CA 0.022 44.510 45.100 -1.019 0.000 0.845 53 G HN 0.483 nan 8.290 nan 0.000 0.568 54 H N -0.784 118.071 119.070 -0.358 0.000 2.894 54 H HA 0.712 5.266 4.556 -0.002 0.000 0.367 54 H C -0.654 174.690 175.328 0.028 0.000 1.144 54 H CA -0.087 55.865 56.048 -0.160 0.000 1.180 54 H CB 1.816 31.634 29.762 0.093 0.000 1.758 54 H HN 0.868 nan 8.280 nan 0.000 0.541 55 A N 3.221 125.991 122.820 -0.083 0.000 2.582 55 A HA 0.591 4.910 4.320 -0.002 0.000 0.297 55 A C -1.526 176.082 177.584 0.040 0.000 1.059 55 A CA -0.108 51.941 52.037 0.019 0.000 0.705 55 A CB 0.677 19.924 19.000 0.412 0.000 1.279 55 A HN 0.656 nan 8.150 nan 0.000 0.404 56 V N -0.778 119.103 119.914 -0.055 0.000 2.919 56 V HA 0.991 5.110 4.120 -0.002 0.000 0.316 56 V C 0.168 176.085 176.094 -0.294 0.000 1.077 56 V CA -0.569 61.620 62.300 -0.184 0.000 0.977 56 V CB 1.589 33.046 31.823 -0.610 0.000 1.039 56 V HN 1.510 nan 8.190 nan 0.000 0.441 57 S N -0.063 115.269 115.700 -0.613 0.000 2.537 57 S HA 0.651 5.120 4.470 -0.002 0.000 0.270 57 S C -0.907 173.390 174.600 -0.506 0.000 1.142 57 S CA -0.394 57.269 58.200 -0.896 0.000 0.870 57 S CB 1.620 63.627 63.200 -1.988 0.000 1.112 57 S HN 0.624 nan 8.310 nan 0.000 0.466 58 Y N 1.726 121.901 120.300 -0.207 0.000 2.457 58 Y HA 0.238 4.787 4.550 -0.002 0.000 0.263 58 Y C 0.890 176.816 175.900 0.044 0.000 1.164 58 Y CA 0.143 58.222 58.100 -0.034 0.000 1.274 58 Y CB 0.395 38.825 38.460 -0.050 0.000 1.097 58 Y HN 0.784 nan 8.280 nan 0.000 0.523 59 D N -3.407 116.981 120.400 -0.019 0.000 2.640 59 D HA 0.125 4.764 4.640 -0.002 0.000 0.282 59 D C 0.573 176.633 176.300 -0.401 0.000 1.558 59 D CA -0.098 53.828 54.000 -0.123 0.000 0.820 59 D CB -0.729 40.013 40.800 -0.096 0.000 1.243 59 D HN 0.048 nan 8.370 nan 0.000 0.456 60 L N -0.766 120.067 121.223 -0.649 0.000 4.988 60 L HA -0.308 4.031 4.340 -0.002 0.000 0.439 60 L C 0.974 177.630 176.870 -0.358 0.000 1.080 60 L CA 1.252 55.750 54.840 -0.570 0.000 1.018 60 L CB -1.353 40.366 42.059 -0.566 0.000 1.945 60 L HN 0.280 nan 8.230 nan 0.000 0.782 61 V N -2.516 117.150 119.914 -0.413 0.000 2.854 61 V HA 0.211 4.330 4.120 -0.002 0.000 0.236 61 V C 0.937 176.890 176.094 -0.235 0.000 1.157 61 V CA 0.870 63.082 62.300 -0.147 0.000 1.187 61 V CB 0.147 31.935 31.823 -0.058 0.000 0.949 61 V HN 0.352 nan 8.190 nan 0.000 0.488 62 N N 0.397 118.825 118.700 -0.453 0.000 2.426 62 N HA 0.290 5.029 4.740 -0.002 0.000 0.257 62 N C -1.409 173.730 175.510 -0.620 0.000 1.002 62 N CA -0.137 52.636 53.050 -0.461 0.000 0.942 62 N CB 1.341 39.657 38.487 -0.284 0.000 1.112 62 N HN 0.306 nan 8.380 nan 0.000 0.499 63 W N 1.566 122.593 121.300 -0.455 0.000 2.703 63 W HA 0.636 5.295 4.660 -0.001 0.000 0.359 63 W C 0.207 176.571 176.519 -0.257 0.000 1.168 63 W CA -0.621 56.571 57.345 -0.255 0.000 1.177 63 W CB 1.120 30.580 29.460 0.000 0.000 1.434 63 W HN 0.152 nan 8.180 nan 0.000 0.618 64 I N 2.408 122.990 120.570 0.020 0.000 2.497 64 I HA 0.116 4.285 4.170 -0.002 0.000 0.284 64 I C -0.623 175.426 176.117 -0.113 0.000 1.060 64 I CA -1.049 60.167 61.300 -0.139 0.000 1.071 64 I CB 0.956 38.774 38.000 -0.302 0.000 1.216 64 I HN 0.255 nan 8.210 nan 0.000 0.442 65 H N 6.627 125.740 119.070 0.072 0.000 2.803 65 H HA 0.436 4.991 4.556 -0.002 0.000 0.330 65 H C -0.228 175.083 175.328 -0.030 0.000 1.057 65 H CA 0.272 56.345 56.048 0.041 0.000 1.458 65 H CB 1.184 30.959 29.762 0.021 0.000 1.470 65 H HN 0.399 nan 8.280 nan 0.000 0.560 66 L N 1.642 122.910 121.223 0.075 0.000 2.271 66 L HA 0.291 4.630 4.340 -0.002 0.000 0.265 66 L C 0.556 177.496 176.870 0.118 0.000 1.013 66 L CA -1.175 53.685 54.840 0.033 0.000 0.820 66 L CB 1.130 43.125 42.059 -0.107 0.000 1.352 66 L HN 0.449 nan 8.230 nan 0.000 0.443 67 D N 1.446 121.935 120.400 0.148 0.000 2.382 67 D HA 0.138 4.777 4.640 -0.002 0.000 0.240 67 D C -2.178 174.247 176.300 0.209 0.000 1.146 67 D CA -0.673 53.417 54.000 0.150 0.000 0.897 67 D CB 0.540 41.423 40.800 0.139 0.000 1.197 67 D HN 0.233 nan 8.370 nan 0.000 0.432 68 P HA -0.030 nan 4.420 nan 0.000 0.264 68 P C -0.387 177.073 177.300 0.266 0.000 1.183 68 P CA -0.052 63.156 63.100 0.181 0.000 0.763 68 P CB 0.909 32.689 31.700 0.134 0.000 0.807 69 A N 5.084 128.012 122.820 0.179 0.000 1.864 69 A HA 0.118 4.437 4.320 -0.002 0.000 0.213 69 A C 1.218 178.657 177.584 -0.241 0.000 1.266 69 A CA 0.633 52.662 52.037 -0.013 0.000 0.612 69 A CB -0.547 18.195 19.000 -0.429 0.000 0.940 69 A HN 0.567 nan 8.150 nan 0.000 0.463 70 I N 1.441 121.700 120.570 -0.519 0.000 2.304 70 I HA 0.385 4.554 4.170 -0.002 0.000 0.291 70 I C -1.104 174.712 176.117 -0.502 0.000 1.018 70 I CA -0.455 60.353 61.300 -0.819 0.000 1.260 70 I CB 0.581 37.655 38.000 -1.543 0.000 1.390 70 I HN 0.537 nan 8.210 nan 0.000 0.475 71 Y N 5.921 126.010 120.300 -0.352 0.000 2.576 71 Y HA 0.643 5.192 4.550 -0.002 0.000 0.346 71 Y C -2.827 172.944 175.900 -0.214 0.000 1.018 71 Y CA -3.658 54.297 58.100 -0.240 0.000 1.050 71 Y CB 0.438 38.811 38.460 -0.145 0.000 1.280 71 Y HN 0.298 nan 8.280 nan 0.000 0.474 72 P HA -0.009 nan 4.420 nan 0.000 0.262 72 P C 0.302 177.613 177.300 0.020 0.000 1.199 72 P CA 0.624 63.697 63.100 -0.045 0.000 0.763 72 P CB 1.322 32.994 31.700 -0.047 0.000 0.790 73 T N -0.265 114.254 114.554 -0.059 0.000 3.010 73 T HA 0.057 4.406 4.350 -0.002 0.000 0.253 73 T C 0.543 175.216 174.700 -0.046 0.000 0.939 73 T CA -0.092 61.988 62.100 -0.033 0.000 0.910 73 T CB 0.129 68.935 68.868 -0.104 0.000 1.226 73 T HN 0.535 nan 8.240 nan 0.000 0.508 74 Q N 0.210 119.971 119.800 -0.064 0.000 2.445 74 Q HA 0.526 4.865 4.340 -0.002 0.000 0.281 74 Q C 0.675 176.644 176.000 -0.051 0.000 1.101 74 Q CA -0.897 54.873 55.803 -0.054 0.000 0.833 74 Q CB 1.708 30.410 28.738 -0.061 0.000 1.416 74 Q HN -0.069 nan 8.270 nan 0.000 0.451 75 E N 1.338 121.512 120.200 -0.044 0.000 2.065 75 E HA -0.280 4.069 4.350 -0.002 0.000 0.201 75 E C 1.590 178.158 176.600 -0.053 0.000 1.016 75 E CA 2.170 58.544 56.400 -0.043 0.000 0.818 75 E CB -0.391 29.288 29.700 -0.034 0.000 0.749 75 E HN 0.799 nan 8.360 nan 0.000 0.453 76 A N 1.144 123.931 122.820 -0.055 0.000 2.255 76 A HA -0.193 4.126 4.320 -0.002 0.000 0.218 76 A C 0.701 178.234 177.584 -0.084 0.000 1.175 76 A CA 2.045 54.040 52.037 -0.070 0.000 0.682 76 A CB -0.359 18.593 19.000 -0.081 0.000 0.784 76 A HN 0.461 nan 8.150 nan 0.000 0.482 77 D N -3.238 117.115 120.400 -0.079 0.000 2.969 77 D HA -0.003 4.636 4.640 -0.002 0.000 0.317 77 D C 0.750 176.982 176.300 -0.112 0.000 1.650 77 D CA 0.546 54.490 54.000 -0.092 0.000 0.789 77 D CB -1.125 39.663 40.800 -0.020 0.000 1.277 77 D HN 0.205 nan 8.370 nan 0.000 0.463 78 S N 0.259 115.901 115.700 -0.097 0.000 2.419 78 S HA -0.168 4.301 4.470 -0.002 0.000 0.233 78 S C 1.680 176.216 174.600 -0.105 0.000 1.016 78 S CA 0.576 58.726 58.200 -0.083 0.000 0.974 78 S CB -0.060 63.103 63.200 -0.062 0.000 0.786 78 S HN 0.073 nan 8.310 nan 0.000 0.492 79 K N 0.869 121.175 120.400 -0.156 0.000 2.211 79 K HA 0.371 4.690 4.320 -0.002 0.000 0.201 79 K C 0.304 176.745 176.600 -0.264 0.000 1.052 79 K CA 0.325 56.502 56.287 -0.183 0.000 0.973 79 K CB 0.089 32.472 32.500 -0.196 0.000 0.766 79 K HN 0.369 nan 8.250 nan 0.000 0.466 80 S N -1.419 114.052 115.700 -0.382 0.000 2.622 80 S HA 0.166 4.635 4.470 -0.002 0.000 0.275 80 S C -1.578 172.746 174.600 -0.460 0.000 1.112 80 S CA -0.898 57.024 58.200 -0.463 0.000 0.837 80 S CB 1.063 63.817 63.200 -0.744 0.000 1.082 80 S HN 0.165 nan 8.310 nan 0.000 0.456 81 C N 3.464 122.602 119.300 -0.270 0.000 2.258 81 C HA 0.562 5.021 4.460 -0.002 0.000 0.321 81 C C 0.014 175.133 174.990 0.215 0.000 1.168 81 C CA -0.782 58.161 59.018 -0.126 0.000 1.531 81 C CB -1.009 26.515 27.740 -0.359 0.000 2.095 81 C HN 0.690 nan 8.230 nan 0.000 0.449 82 W N 1.472 122.941 121.300 0.281 0.000 2.116 82 W HA 0.382 5.041 4.660 -0.002 0.000 0.374 82 W C 0.809 177.592 176.519 0.440 0.000 1.445 82 W CA -0.872 56.654 57.345 0.301 0.000 1.582 82 W CB -0.078 29.514 29.460 0.220 0.000 1.263 82 W HN 0.470 nan 8.180 nan 0.000 0.683 83 S N 0.170 116.153 115.700 0.472 0.000 2.550 83 S HA 0.381 4.850 4.470 -0.002 0.000 0.285 83 S C 0.332 175.182 174.600 0.416 0.000 1.326 83 S CA 0.724 59.074 58.200 0.250 0.000 1.037 83 S CB 0.209 63.448 63.200 0.065 0.000 0.838 83 S HN 0.658 nan 8.310 nan 0.000 0.519 84 G N 0.478 109.502 108.800 0.374 0.000 2.548 84 G HA2 0.583 4.542 3.960 -0.002 0.000 0.301 84 G HA3 0.583 4.542 3.960 -0.002 0.000 0.301 84 G C -1.432 173.637 174.900 0.283 0.000 1.349 84 G CA -0.625 44.721 45.100 0.409 0.000 0.792 84 G HN 0.674 nan 8.290 nan 0.000 0.481 85 S N -1.537 114.312 115.700 0.248 0.000 2.709 85 S HA 0.907 5.376 4.470 -0.002 0.000 0.302 85 S C -0.311 174.415 174.600 0.210 0.000 1.127 85 S CA -0.048 58.281 58.200 0.214 0.000 0.905 85 S CB 1.777 65.108 63.200 0.218 0.000 1.151 85 S HN 1.625 nan 8.310 nan 0.000 0.510 86 A N 0.912 123.861 122.820 0.215 0.000 2.365 86 A HA 0.809 5.128 4.320 -0.002 0.000 0.318 86 A C -0.841 176.879 177.584 0.227 0.000 1.091 86 A CA -0.647 51.509 52.037 0.199 0.000 0.763 86 A CB 1.175 20.290 19.000 0.192 0.000 1.248 86 A HN 0.593 nan 8.150 nan 0.000 0.442 87 T N 2.781 117.432 114.554 0.162 0.000 2.937 87 T HA 0.461 4.810 4.350 -0.002 0.000 0.297 87 T C -0.125 174.579 174.700 0.006 0.000 0.991 87 T CA -0.139 62.028 62.100 0.111 0.000 0.990 87 T CB 0.660 69.533 68.868 0.009 0.000 0.991 87 T HN 0.759 nan 8.240 nan 0.000 0.440 88 I N 2.253 122.901 120.570 0.130 0.000 2.308 88 I HA 0.482 4.651 4.170 -0.002 0.000 0.293 88 I C -0.221 175.962 176.117 0.110 0.000 1.078 88 I CA -0.675 60.701 61.300 0.127 0.000 1.292 88 I CB 0.126 38.287 38.000 0.268 0.000 1.423 88 I HN 0.419 nan 8.210 nan 0.000 0.493 89 L N 6.828 128.034 121.223 -0.028 0.000 2.466 89 L HA 0.447 4.786 4.340 -0.002 0.000 0.257 89 L C -2.022 174.936 176.870 0.146 0.000 1.189 89 L CA -1.872 52.997 54.840 0.049 0.000 0.813 89 L CB -0.122 41.826 42.059 -0.185 0.000 1.118 89 L HN 0.364 nan 8.230 nan 0.000 0.471 90 P HA 0.090 nan 4.420 nan 0.000 0.263 90 P C 0.540 177.893 177.300 0.088 0.000 1.195 90 P CA 0.679 63.864 63.100 0.142 0.000 0.762 90 P CB 0.655 32.431 31.700 0.126 0.000 0.799 91 G N 3.338 112.186 108.800 0.081 0.000 2.227 91 G HA2 -0.207 3.752 3.960 -0.002 0.000 0.168 91 G HA3 -0.207 3.752 3.960 -0.002 0.000 0.168 91 G C 0.542 175.491 174.900 0.082 0.000 1.006 91 G CA -0.018 45.117 45.100 0.058 0.000 0.684 91 G HN 0.563 nan 8.290 nan 0.000 0.489 92 N N -1.372 117.403 118.700 0.125 0.000 2.754 92 N HA -0.186 4.553 4.740 -0.002 0.000 0.248 92 N C -0.241 175.444 175.510 0.292 0.000 1.093 92 N CA 1.298 54.480 53.050 0.220 0.000 0.699 92 N CB -1.120 37.464 38.487 0.162 0.000 1.016 92 N HN 1.537 nan 8.380 nan 0.000 0.552 93 I N 0.449 121.089 120.570 0.116 0.000 2.382 93 I HA 0.558 4.727 4.170 -0.002 0.000 0.286 93 I C -2.420 173.642 176.117 -0.093 0.000 1.002 93 I CA -2.579 58.707 61.300 -0.024 0.000 1.135 93 I CB 1.320 39.255 38.000 -0.109 0.000 1.288 93 I HN -0.040 nan 8.210 nan 0.000 0.448 94 P HA 0.333 nan 4.420 nan 0.000 0.281 94 P C -1.235 176.062 177.300 -0.006 0.000 1.252 94 P CA -0.343 62.695 63.100 -0.102 0.000 0.778 94 P CB 1.279 32.859 31.700 -0.199 0.000 0.895 95 A N 4.156 126.969 122.820 -0.012 0.000 2.318 95 A HA 0.693 5.012 4.320 -0.002 0.000 0.324 95 A C -0.526 177.175 177.584 0.195 0.000 1.170 95 A CA -0.704 51.381 52.037 0.080 0.000 0.810 95 A CB 0.847 19.720 19.000 -0.212 0.000 1.198 95 A HN 0.506 nan 8.150 nan 0.000 0.484 96 M N 2.808 122.559 119.600 0.252 0.000 2.167 96 M HA 0.532 5.011 4.480 -0.002 0.000 0.333 96 M C -1.474 174.897 176.300 0.119 0.000 1.030 96 M CA -0.395 54.964 55.300 0.098 0.000 0.963 96 M CB 0.765 33.242 32.600 -0.206 0.000 1.589 96 M HN 0.582 nan 8.290 nan 0.000 0.431 97 L N 6.695 127.980 121.223 0.102 0.000 2.313 97 L HA 0.638 4.977 4.340 -0.002 0.000 0.283 97 L C -1.329 175.557 176.870 0.025 0.000 1.013 97 L CA -0.867 53.952 54.840 -0.035 0.000 0.816 97 L CB 1.090 43.065 42.059 -0.140 0.000 1.236 97 L HN 0.794 nan 8.230 nan 0.000 0.419 98 Y N 0.252 120.448 120.300 -0.173 0.000 2.597 98 Y HA 0.550 5.099 4.550 -0.002 0.000 0.340 98 Y C -0.685 175.166 175.900 -0.081 0.000 1.097 98 Y CA -1.156 56.897 58.100 -0.078 0.000 1.037 98 Y CB 1.250 39.601 38.460 -0.182 0.000 1.305 98 Y HN 0.269 nan 8.280 nan 0.000 0.463 99 T N 2.256 116.927 114.554 0.196 0.000 2.780 99 T HA 0.612 4.961 4.350 -0.002 0.000 0.294 99 T C 0.184 175.038 174.700 0.256 0.000 0.949 99 T CA 0.111 62.287 62.100 0.126 0.000 1.074 99 T CB 0.664 69.668 68.868 0.228 0.000 0.910 99 T HN 1.007 nan 8.240 nan 0.000 0.501 100 G N 0.889 109.713 108.800 0.040 0.000 2.473 100 G HA2 0.530 4.489 3.960 -0.002 0.000 0.321 100 G HA3 0.530 4.489 3.960 -0.002 0.000 0.321 100 G C -0.869 173.969 174.900 -0.102 0.000 1.200 100 G CA -0.587 44.504 45.100 -0.015 0.000 0.963 100 G HN 0.587 nan 8.290 nan 0.000 0.483 101 S N 0.564 116.078 115.700 -0.311 0.000 2.532 101 S HA 0.367 4.836 4.470 -0.002 0.000 0.318 101 S C -0.189 174.299 174.600 -0.187 0.000 1.083 101 S CA -0.870 57.140 58.200 -0.317 0.000 1.131 101 S CB -0.014 62.759 63.200 -0.712 0.000 0.973 101 S HN 0.728 nan 8.310 nan 0.000 0.468 102 D N 2.825 123.169 120.400 -0.093 0.000 2.377 102 D HA 0.141 4.780 4.640 -0.002 0.000 0.245 102 D C 1.539 177.806 176.300 -0.055 0.000 1.196 102 D CA -0.137 53.822 54.000 -0.069 0.000 0.962 102 D CB 0.341 41.114 40.800 -0.044 0.000 1.127 102 D HN 0.370 nan 8.370 nan 0.000 0.471 103 S N 0.393 116.066 115.700 -0.046 0.000 2.400 103 S HA -0.313 4.156 4.470 -0.002 0.000 0.234 103 S C 1.310 175.897 174.600 -0.021 0.000 1.049 103 S CA 1.139 59.318 58.200 -0.034 0.000 1.039 103 S CB -0.615 62.568 63.200 -0.028 0.000 0.856 103 S HN 0.589 nan 8.310 nan 0.000 0.465 104 K N 0.847 121.238 120.400 -0.014 0.000 2.505 104 K HA 0.239 4.558 4.320 -0.002 0.000 0.192 104 K C 0.097 176.703 176.600 0.010 0.000 1.025 104 K CA 0.506 56.791 56.287 -0.002 0.000 1.086 104 K CB -0.059 32.441 32.500 -0.001 0.000 0.840 104 K HN 0.398 nan 8.250 nan 0.000 0.514 105 S N 0.957 116.659 115.700 0.004 0.000 3.586 105 S HA -0.185 4.284 4.470 -0.002 0.000 0.309 105 S C -0.054 174.585 174.600 0.065 0.000 1.195 105 S CA 0.990 59.206 58.200 0.026 0.000 0.895 105 S CB -1.394 61.833 63.200 0.044 0.000 0.983 105 S HN 0.602 nan 8.310 nan 0.000 0.563 106 R N 0.498 121.030 120.500 0.053 0.000 2.668 106 R HA 0.632 4.971 4.340 -0.002 0.000 0.279 106 R C -0.545 175.828 176.300 0.121 0.000 0.976 106 R CA -1.055 55.101 56.100 0.092 0.000 0.978 106 R CB 0.856 31.192 30.300 0.060 0.000 1.133 106 R HN 0.251 nan 8.270 nan 0.000 0.484 107 Q N 1.566 121.488 119.800 0.204 0.000 2.294 107 Q HA 0.348 4.687 4.340 -0.002 0.000 0.257 107 Q C -0.107 176.022 176.000 0.215 0.000 0.955 107 Q CA -0.729 55.228 55.803 0.258 0.000 0.936 107 Q CB 1.718 30.672 28.738 0.360 0.000 1.188 107 Q HN 0.579 nan 8.270 nan 0.000 0.420 108 V N -0.625 119.354 119.914 0.108 0.000 3.141 108 V HA 0.482 4.601 4.120 -0.002 0.000 0.312 108 V C -1.262 174.763 176.094 -0.116 0.000 1.157 108 V CA -1.207 61.120 62.300 0.045 0.000 1.041 108 V CB 2.406 34.224 31.823 -0.008 0.000 1.071 108 V HN 0.537 nan 8.190 nan 0.000 0.441 109 Q N 1.689 121.366 119.800 -0.204 0.000 2.314 109 Q HA 0.603 4.942 4.340 -0.002 0.000 0.259 109 Q C -1.317 174.421 176.000 -0.437 0.000 0.951 109 Q CA -0.177 55.397 55.803 -0.382 0.000 0.909 109 Q CB 1.283 29.722 28.738 -0.498 0.000 1.236 109 Q HN 0.843 nan 8.270 nan 0.000 0.444 110 D N 1.445 121.444 120.400 -0.667 0.000 2.269 110 D HA 0.492 5.131 4.640 -0.002 0.000 0.244 110 D C -0.577 175.362 176.300 -0.603 0.000 0.992 110 D CA -0.547 53.021 54.000 -0.721 0.000 0.894 110 D CB 2.074 42.214 40.800 -1.100 0.000 1.248 110 D HN 0.231 nan 8.370 nan 0.000 0.468 111 L N 0.642 121.714 121.223 -0.252 0.000 2.362 111 L HA 0.814 5.153 4.340 -0.002 0.000 0.271 111 L C -1.369 175.603 176.870 0.170 0.000 1.002 111 L CA -0.399 54.452 54.840 0.018 0.000 0.818 111 L CB 1.501 43.640 42.059 0.133 0.000 1.298 111 L HN 0.584 nan 8.230 nan 0.000 0.420 112 A N 3.524 126.512 122.820 0.281 0.000 2.610 112 A HA 0.818 5.137 4.320 -0.002 0.000 0.291 112 A C -2.324 175.558 177.584 0.496 0.000 1.086 112 A CA -0.428 51.743 52.037 0.224 0.000 0.677 112 A CB 1.436 20.462 19.000 0.043 0.000 1.278 112 A HN 0.862 nan 8.150 nan 0.000 0.414 113 W N -0.455 120.964 121.300 0.197 0.000 3.248 113 W HA 0.729 5.388 4.660 -0.002 0.000 0.311 113 W C -3.149 173.133 176.519 -0.395 0.000 1.258 113 W CA -2.243 55.117 57.345 0.024 0.000 1.191 113 W CB 0.555 29.980 29.460 -0.059 0.000 1.389 113 W HN 0.534 nan 8.180 nan 0.000 0.561 114 P HA -0.082 nan 4.420 nan 0.000 0.265 114 P C -0.112 176.896 177.300 -0.487 0.000 1.187 114 P CA 0.523 62.928 63.100 -1.158 0.000 0.766 114 P CB 1.667 32.733 31.700 -1.058 0.000 0.820 115 K N 1.992 122.124 120.400 -0.446 0.000 2.354 115 K HA 0.036 4.355 4.320 -0.002 0.000 0.194 115 K C 0.447 176.974 176.600 -0.122 0.000 1.038 115 K CA 0.171 56.318 56.287 -0.234 0.000 1.052 115 K CB 0.226 32.590 32.500 -0.227 0.000 0.861 115 K HN 0.232 nan 8.250 nan 0.000 0.535 116 N N 1.252 119.873 118.700 -0.132 0.000 2.703 116 N HA 0.112 4.851 4.740 -0.002 0.000 0.283 116 N C 0.145 175.635 175.510 -0.035 0.000 1.851 116 N CA -0.155 52.862 53.050 -0.054 0.000 0.826 116 N CB 0.216 38.686 38.487 -0.028 0.000 1.239 116 N HN 0.102 nan 8.380 nan 0.000 0.495 117 L N -0.237 120.971 121.223 -0.025 0.000 2.563 117 L HA -0.185 4.154 4.340 -0.002 0.000 0.230 117 L C 1.557 178.473 176.870 0.077 0.000 1.162 117 L CA 0.821 55.684 54.840 0.038 0.000 0.812 117 L CB -0.334 41.770 42.059 0.074 0.000 0.935 117 L HN 0.305 nan 8.230 nan 0.000 0.451 118 S N -1.400 114.323 115.700 0.039 0.000 2.387 118 S HA -0.113 4.355 4.470 -0.002 0.000 0.226 118 S C 0.769 175.385 174.600 0.026 0.000 1.026 118 S CA 0.304 58.522 58.200 0.031 0.000 0.972 118 S CB -0.271 62.939 63.200 0.017 0.000 0.814 118 S HN 0.443 nan 8.310 nan 0.000 0.477 119 D N 2.238 122.657 120.400 0.032 0.000 2.382 119 D HA 0.146 4.785 4.640 -0.002 0.000 0.259 119 D C -1.829 174.503 176.300 0.053 0.000 1.224 119 D CA -1.861 52.157 54.000 0.030 0.000 0.894 119 D CB 1.015 41.856 40.800 0.068 0.000 1.127 119 D HN -0.042 nan 8.370 nan 0.000 0.487 120 P HA -0.095 nan 4.420 nan 0.000 0.219 120 P C 0.316 177.665 177.300 0.081 0.000 1.146 120 P CA 0.902 63.925 63.100 -0.128 0.000 0.808 120 P CB 0.088 31.492 31.700 -0.494 0.000 0.779 121 F N -1.748 118.339 119.950 0.229 0.000 2.664 121 F HA 0.270 4.796 4.527 -0.002 0.000 0.303 121 F C 0.887 177.008 175.800 0.536 0.000 1.092 121 F CA -1.003 57.185 58.000 0.314 0.000 1.305 121 F CB -1.030 38.054 39.000 0.141 0.000 1.054 121 F HN -0.287 nan 8.300 nan 0.000 0.565 122 L N 0.471 121.998 121.223 0.507 0.000 3.965 122 L HA -0.370 3.969 4.340 -0.002 0.000 0.476 122 L C 1.448 178.636 176.870 0.531 0.000 1.201 122 L CA 0.113 55.133 54.840 0.299 0.000 0.710 122 L CB -1.304 40.852 42.059 0.162 0.000 1.509 122 L HN 0.310 nan 8.230 nan 0.000 0.815 123 R N 0.312 121.068 120.500 0.426 0.000 2.062 123 R HA -0.007 4.332 4.340 -0.002 0.000 0.231 123 R C 0.678 177.239 176.300 0.435 0.000 1.136 123 R CA 0.978 57.361 56.100 0.471 0.000 0.948 123 R CB 0.070 30.563 30.300 0.322 0.000 0.845 123 R HN 0.426 nan 8.270 nan 0.000 0.430 124 E N -0.174 120.154 120.200 0.213 0.000 2.249 124 E HA 0.104 4.453 4.350 -0.002 0.000 0.280 124 E C -0.996 175.562 176.600 -0.071 0.000 1.016 124 E CA -0.051 56.435 56.400 0.145 0.000 0.830 124 E CB 1.089 30.820 29.700 0.053 0.000 1.081 124 E HN 0.048 nan 8.360 nan 0.000 0.395 125 W N 1.060 122.275 121.300 -0.141 0.000 2.864 125 W HA 0.510 5.168 4.660 -0.002 0.000 0.343 125 W C -0.555 175.741 176.519 -0.372 0.000 1.109 125 W CA -0.767 56.414 57.345 -0.273 0.000 1.192 125 W CB 1.471 30.726 29.460 -0.341 0.000 1.426 125 W HN 0.176 nan 8.180 nan 0.000 0.529 126 V N 3.707 123.436 119.914 -0.308 0.000 2.735 126 V HA 0.545 4.664 4.120 -0.002 0.000 0.310 126 V C -0.703 175.041 176.094 -0.583 0.000 1.061 126 V CA -1.102 60.917 62.300 -0.469 0.000 0.913 126 V CB 1.558 33.025 31.823 -0.593 0.000 1.005 126 V HN 0.401 nan 8.190 nan 0.000 0.428 127 K N 3.625 123.780 120.400 -0.408 0.000 2.118 127 K HA 0.364 4.683 4.320 -0.002 0.000 0.264 127 K C -0.377 176.059 176.600 -0.274 0.000 1.000 127 K CA -0.466 55.656 56.287 -0.275 0.000 0.929 127 K CB 1.059 33.467 32.500 -0.154 0.000 1.021 127 K HN 0.937 nan 8.250 nan 0.000 0.463 128 H N 1.350 120.354 119.070 -0.108 0.000 2.679 128 H HA 0.069 4.624 4.556 -0.002 0.000 0.369 128 H C -1.742 173.607 175.328 0.035 0.000 1.178 128 H CA -0.809 55.309 56.048 0.117 0.000 1.419 128 H CB 1.011 30.961 29.762 0.313 0.000 1.458 128 H HN 0.275 nan 8.280 nan 0.000 0.605 129 P HA 0.013 nan 4.420 nan 0.000 0.226 129 P C 0.305 177.643 177.300 0.063 0.000 1.161 129 P CA 1.185 64.204 63.100 -0.135 0.000 0.804 129 P CB 0.362 31.944 31.700 -0.198 0.000 0.829 130 K N -0.447 120.159 120.400 0.344 0.000 2.505 130 K HA 0.054 4.373 4.320 -0.002 0.000 0.192 130 K C 0.128 176.830 176.600 0.170 0.000 1.025 130 K CA -0.057 56.393 56.287 0.272 0.000 1.086 130 K CB -0.705 31.982 32.500 0.312 0.000 0.840 130 K HN 0.286 nan 8.250 nan 0.000 0.514 131 N N 3.021 121.814 118.700 0.155 0.000 2.412 131 N HA -0.024 4.715 4.740 -0.002 0.000 0.254 131 N C -2.420 173.085 175.510 -0.008 0.000 1.232 131 N CA -0.783 52.284 53.050 0.028 0.000 0.880 131 N CB 0.486 38.965 38.487 -0.013 0.000 1.076 131 N HN 0.047 nan 8.380 nan 0.000 0.458 132 P HA 0.021 nan 4.420 nan 0.000 0.275 132 P C -0.012 177.257 177.300 -0.051 0.000 1.228 132 P CA -0.263 62.791 63.100 -0.077 0.000 0.786 132 P CB 1.136 32.793 31.700 -0.072 0.000 0.927 133 L N 2.314 123.478 121.223 -0.098 0.000 2.375 133 L HA 0.238 4.577 4.340 -0.002 0.000 0.215 133 L C 0.993 177.834 176.870 -0.049 0.000 1.108 133 L CA 1.105 55.914 54.840 -0.052 0.000 0.830 133 L CB -0.138 41.871 42.059 -0.083 0.000 0.959 133 L HN 0.395 nan 8.230 nan 0.000 0.457 134 I N -1.529 118.968 120.570 -0.121 0.000 2.692 134 I HA 0.295 4.464 4.170 -0.002 0.000 0.293 134 I C -0.559 175.578 176.117 0.035 0.000 1.200 134 I CA -0.520 60.736 61.300 -0.074 0.000 1.036 134 I CB 2.274 40.085 38.000 -0.315 0.000 1.258 134 I HN -0.100 nan 8.210 nan 0.000 0.421 135 T N 1.939 116.534 114.554 0.069 0.000 2.924 135 T HA 0.618 4.967 4.350 -0.002 0.000 0.291 135 T C -2.849 171.717 174.700 -0.223 0.000 1.045 135 T CA -2.471 59.645 62.100 0.026 0.000 1.015 135 T CB 1.815 70.666 68.868 -0.028 0.000 1.103 135 T HN 0.134 nan 8.240 nan 0.000 0.496 136 P HA 0.138 nan 4.420 nan 0.000 0.264 136 P C -2.251 174.640 177.300 -0.681 0.000 1.173 136 P CA -0.426 62.092 63.100 -0.971 0.000 0.761 136 P CB -0.419 31.019 31.700 -0.437 0.000 0.794 137 P HA 0.012 nan 4.420 nan 0.000 0.296 137 P C 0.934 178.049 177.300 -0.307 0.000 1.295 137 P CA -0.224 62.593 63.100 -0.472 0.000 0.754 137 P CB 0.395 31.752 31.700 -0.571 0.000 1.311 138 E N 0.292 120.365 120.200 -0.211 0.000 1.964 138 E HA -0.122 4.227 4.350 -0.002 0.000 0.209 138 E C 1.155 177.679 176.600 -0.126 0.000 0.988 138 E CA 1.961 58.277 56.400 -0.139 0.000 0.875 138 E CB -1.399 28.241 29.700 -0.100 0.000 0.813 138 E HN 0.473 nan 8.360 nan 0.000 0.533 139 G N 0.350 109.092 108.800 -0.096 0.000 3.213 139 G HA2 0.399 4.358 3.960 -0.002 0.000 0.263 139 G HA3 0.399 4.358 3.960 -0.002 0.000 0.263 139 G C -1.096 173.764 174.900 -0.067 0.000 0.829 139 G CA -0.160 44.901 45.100 -0.066 0.000 1.983 139 G HN 0.136 nan 8.290 nan 0.000 0.616 140 V N 1.075 120.923 119.914 -0.109 0.000 2.623 140 V HA 0.297 4.416 4.120 -0.002 0.000 0.304 140 V C -0.018 176.034 176.094 -0.070 0.000 1.054 140 V CA -1.321 60.919 62.300 -0.100 0.000 0.882 140 V CB 2.185 33.856 31.823 -0.254 0.000 1.002 140 V HN 0.414 nan 8.190 nan 0.000 0.424 141 K N 2.115 122.514 120.400 -0.002 0.000 2.350 141 K HA 0.159 4.478 4.320 -0.002 0.000 0.279 141 K C 0.185 176.812 176.600 0.045 0.000 1.027 141 K CA -0.289 56.011 56.287 0.021 0.000 0.969 141 K CB 0.690 33.217 32.500 0.045 0.000 0.954 141 K HN 0.623 nan 8.250 nan 0.000 0.474 142 D N 1.965 122.390 120.400 0.042 0.000 2.429 142 D HA -0.143 4.496 4.640 -0.002 0.000 0.230 142 D C 0.026 176.412 176.300 0.144 0.000 1.005 142 D CA 1.156 55.201 54.000 0.076 0.000 0.963 142 D CB -0.132 40.702 40.800 0.057 0.000 0.872 142 D HN 0.524 nan 8.370 nan 0.000 0.524 143 D N -2.392 118.099 120.400 0.151 0.000 2.636 143 D HA 0.108 4.747 4.640 -0.002 0.000 0.270 143 D C -0.322 176.084 176.300 0.177 0.000 1.430 143 D CA -0.358 53.753 54.000 0.185 0.000 0.796 143 D CB -0.567 40.328 40.800 0.157 0.000 1.117 143 D HN -0.000 nan 8.370 nan 0.000 0.480 144 C N 0.932 120.354 119.300 0.204 0.000 3.206 144 C HA 0.523 4.982 4.460 -0.002 0.000 0.206 144 C C -1.147 174.069 174.990 0.378 0.000 1.836 144 C CA -0.723 58.435 59.018 0.234 0.000 1.382 144 C CB -1.237 26.613 27.740 0.184 0.000 2.405 144 C HN 0.417 nan 8.230 nan 0.000 0.516 145 F N 3.078 123.113 119.950 0.142 0.000 3.395 145 F HA 0.577 5.103 4.527 -0.002 0.000 0.382 145 F C -0.284 175.594 175.800 0.131 0.000 1.264 145 F CA -0.501 57.581 58.000 0.136 0.000 1.277 145 F CB 0.320 39.337 39.000 0.029 0.000 1.780 145 F HN 0.530 nan 8.300 nan 0.000 0.691 146 R N 2.315 122.770 120.500 -0.076 0.000 2.921 146 R HA 0.506 4.845 4.340 -0.002 0.000 0.268 146 R C -1.511 174.757 176.300 -0.053 0.000 1.008 146 R CA -0.749 55.292 56.100 -0.099 0.000 0.876 146 R CB 0.608 30.958 30.300 0.083 0.000 1.395 146 R HN 0.144 nan 8.270 nan 0.000 0.443 147 D N 0.205 120.609 120.400 0.008 0.000 2.718 147 D HA -0.080 4.559 4.640 -0.002 0.000 0.242 147 D C -2.222 174.092 176.300 0.025 0.000 1.123 147 D CA 0.902 54.933 54.000 0.052 0.000 0.690 147 D CB -1.012 39.838 40.800 0.083 0.000 1.059 147 D HN 0.502 nan 8.370 nan 0.000 0.429 148 P HA 0.010 nan 4.420 nan 0.000 0.267 148 P C 0.371 177.694 177.300 0.038 0.000 1.200 148 P CA 0.117 63.161 63.100 -0.094 0.000 0.772 148 P CB 0.903 32.462 31.700 -0.235 0.000 0.855 149 S N 1.202 116.956 115.700 0.089 0.000 2.730 149 S HA 0.364 4.833 4.470 -0.002 0.000 0.284 149 S C 0.091 174.848 174.600 0.261 0.000 1.153 149 S CA -0.570 57.764 58.200 0.223 0.000 0.995 149 S CB 0.007 63.416 63.200 0.348 0.000 1.058 149 S HN 0.395 nan 8.310 nan 0.000 0.552 150 T N 2.051 116.820 114.554 0.358 0.000 2.916 150 T HA 0.500 4.849 4.350 -0.002 0.000 0.303 150 T C 0.528 175.542 174.700 0.523 0.000 1.025 150 T CA 0.167 62.507 62.100 0.400 0.000 1.142 150 T CB 0.207 69.329 68.868 0.424 0.000 0.947 150 T HN 0.928 nan 8.240 nan 0.000 0.544 151 A N 3.337 126.447 122.820 0.483 0.000 2.332 151 A HA 0.655 4.974 4.320 -0.002 0.000 0.258 151 A C -0.497 177.572 177.584 0.809 0.000 1.087 151 A CA -0.792 51.565 52.037 0.534 0.000 0.802 151 A CB 0.280 19.593 19.000 0.521 0.000 1.042 151 A HN 0.974 nan 8.150 nan 0.000 0.489 152 W N 0.602 122.300 121.300 0.663 0.000 2.883 152 W HA 0.604 5.263 4.660 -0.002 0.000 0.335 152 W C -1.735 175.094 176.519 0.516 0.000 1.083 152 W CA -1.181 56.510 57.345 0.576 0.000 1.233 152 W CB 0.809 30.514 29.460 0.409 0.000 1.412 152 W HN 0.497 nan 8.180 nan 0.000 0.490 153 L N 4.424 125.855 121.223 0.348 0.000 2.265 153 L HA 0.758 5.097 4.340 -0.002 0.000 0.288 153 L C 0.560 177.408 176.870 -0.037 0.000 1.058 153 L CA -0.062 54.638 54.840 -0.233 0.000 0.809 153 L CB 0.711 42.296 42.059 -0.790 0.000 1.179 153 L HN 0.783 nan 8.230 nan 0.000 0.429 154 G N 4.885 113.637 108.800 -0.079 0.000 2.537 154 G HA2 0.369 4.328 3.960 -0.002 0.000 0.273 154 G HA3 0.369 4.328 3.960 -0.002 0.000 0.273 154 G C -1.802 172.983 174.900 -0.192 0.000 1.189 154 G CA -0.730 44.316 45.100 -0.090 0.000 0.881 154 G HN 0.666 nan 8.290 nan 0.000 0.535 155 P HA -0.117 nan 4.420 nan 0.000 0.221 155 P C 0.664 177.906 177.300 -0.097 0.000 1.145 155 P CA 1.422 64.414 63.100 -0.180 0.000 0.795 155 P CB 0.175 31.753 31.700 -0.204 0.000 0.775 156 D N -1.550 118.788 120.400 -0.104 0.000 2.349 156 D HA 0.108 4.747 4.640 -0.002 0.000 0.224 156 D C 1.499 177.746 176.300 -0.089 0.000 1.029 156 D CA 0.661 54.618 54.000 -0.071 0.000 0.879 156 D CB -0.873 39.895 40.800 -0.053 0.000 0.906 156 D HN 0.266 nan 8.370 nan 0.000 0.528 157 G N -0.755 107.961 108.800 -0.140 0.000 2.175 157 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.244 157 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.244 157 G C 0.099 174.853 174.900 -0.243 0.000 0.982 157 G CA 0.221 45.206 45.100 -0.191 0.000 0.641 157 G HN 0.403 nan 8.290 nan 0.000 0.527 158 V N -0.105 119.698 119.914 -0.184 0.000 2.617 158 V HA 0.722 4.841 4.120 -0.002 0.000 0.298 158 V C 0.620 176.633 176.094 -0.135 0.000 1.048 158 V CA -0.916 61.307 62.300 -0.128 0.000 0.964 158 V CB 1.149 32.947 31.823 -0.041 0.000 1.004 158 V HN 0.289 nan 8.190 nan 0.000 0.466 159 W N 2.424 123.691 121.300 -0.054 0.000 2.213 159 W HA 0.756 5.415 4.660 -0.001 0.000 0.356 159 W C 0.189 176.619 176.519 -0.149 0.000 1.273 159 W CA -0.459 56.865 57.345 -0.036 0.000 1.391 159 W CB 0.845 30.355 29.460 0.084 0.000 1.187 159 W HN 0.342 nan 8.180 nan 0.000 0.649 160 R N 1.457 121.902 120.500 -0.092 0.000 2.584 160 R HA 0.585 4.924 4.340 -0.002 0.000 0.276 160 R C -0.970 174.781 176.300 -0.915 0.000 1.046 160 R CA -0.605 55.101 56.100 -0.657 0.000 0.906 160 R CB 1.408 30.864 30.300 -1.407 0.000 1.215 160 R HN 0.517 nan 8.270 nan 0.000 0.449 161 I N -1.251 119.033 120.570 -0.477 0.000 3.191 161 I HA 0.881 5.050 4.170 -0.002 0.000 0.313 161 I C -0.899 175.187 176.117 -0.052 0.000 1.193 161 I CA -1.368 59.776 61.300 -0.260 0.000 0.968 161 I CB 2.425 40.272 38.000 -0.256 0.000 1.262 161 I HN 0.326 nan 8.210 nan 0.000 0.456 162 V N 0.600 120.576 119.914 0.102 0.000 2.962 162 V HA 0.855 4.974 4.120 -0.002 0.000 0.313 162 V C -0.708 175.439 176.094 0.088 0.000 1.099 162 V CA -0.751 61.644 62.300 0.158 0.000 0.971 162 V CB 1.517 33.463 31.823 0.205 0.000 1.028 162 V HN 0.663 nan 8.190 nan 0.000 0.430 163 V N 1.529 121.525 119.914 0.138 0.000 2.735 163 V HA 0.838 4.957 4.120 -0.002 0.000 0.310 163 V C 0.939 177.151 176.094 0.196 0.000 1.061 163 V CA 0.260 62.567 62.300 0.013 0.000 0.913 163 V CB 1.631 33.262 31.823 -0.320 0.000 1.005 163 V HN 1.322 nan 8.190 nan 0.000 0.428 164 G N 1.273 110.165 108.800 0.153 0.000 2.588 164 G HA2 0.704 4.663 3.960 -0.002 0.000 0.278 164 G HA3 0.704 4.663 3.960 -0.002 0.000 0.278 164 G C 0.227 175.343 174.900 0.360 0.000 1.307 164 G CA 0.251 45.505 45.100 0.256 0.000 1.016 164 G HN 1.685 nan 8.290 nan 0.000 0.503 165 G N -1.006 107.991 108.800 0.328 0.000 2.347 165 G HA2 0.476 4.435 3.960 -0.002 0.000 0.341 165 G HA3 0.476 4.435 3.960 -0.002 0.000 0.341 165 G C -1.354 173.673 174.900 0.212 0.000 1.287 165 G CA 0.217 45.556 45.100 0.399 0.000 0.984 165 G HN 1.366 nan 8.290 nan 0.000 0.526 166 D N -1.671 118.877 120.400 0.246 0.000 2.552 166 D HA 0.701 5.340 4.640 -0.002 0.000 0.239 166 D C -0.248 176.153 176.300 0.170 0.000 1.139 166 D CA -0.885 53.163 54.000 0.079 0.000 0.914 166 D CB 1.645 42.465 40.800 0.034 0.000 1.461 166 D HN 0.557 nan 8.370 nan 0.000 0.462 167 R N 0.881 121.422 120.500 0.068 0.000 2.472 167 R HA 0.262 4.601 4.340 -0.002 0.000 0.294 167 R C -1.047 175.263 176.300 0.017 0.000 1.243 167 R CA -0.439 55.711 56.100 0.084 0.000 1.023 167 R CB 0.080 30.445 30.300 0.108 0.000 1.157 167 R HN 0.538 nan 8.270 nan 0.000 0.530 168 D N 2.878 123.291 120.400 0.022 0.000 2.775 168 D HA -0.219 4.420 4.640 -0.002 0.000 0.235 168 D C -0.419 175.879 176.300 -0.004 0.000 1.120 168 D CA 1.393 55.397 54.000 0.007 0.000 0.708 168 D CB -1.004 39.795 40.800 -0.002 0.000 1.084 168 D HN 0.901 nan 8.370 nan 0.000 0.434 169 N N -0.105 118.597 118.700 0.003 0.000 2.754 169 N HA -0.204 4.535 4.740 -0.002 0.000 0.248 169 N C -1.405 174.077 175.510 -0.046 0.000 1.093 169 N CA 0.955 54.003 53.050 -0.004 0.000 0.699 169 N CB -0.588 37.904 38.487 0.007 0.000 1.016 169 N HN 0.342 nan 8.380 nan 0.000 0.552 170 N N 0.331 118.976 118.700 -0.091 0.000 2.746 170 N HA 0.298 5.037 4.740 -0.002 0.000 0.250 170 N C 0.172 175.478 175.510 -0.339 0.000 1.146 170 N CA 0.148 53.094 53.050 -0.173 0.000 0.828 170 N CB 0.836 39.234 38.487 -0.148 0.000 1.158 170 N HN 0.406 nan 8.380 nan 0.000 0.519 171 G N 1.925 110.469 108.800 -0.426 0.000 2.134 171 G HA2 -0.009 3.950 3.960 -0.002 0.000 0.246 171 G HA3 -0.009 3.950 3.960 -0.002 0.000 0.246 171 G C 0.143 174.085 174.900 -1.598 0.000 1.024 171 G CA 0.365 44.910 45.100 -0.925 0.000 0.895 171 G HN 0.423 nan 8.290 nan 0.000 0.420 172 M N 1.105 119.915 119.600 -1.317 0.000 2.631 172 M HA 0.560 5.039 4.480 -0.002 0.000 0.288 172 M C -0.186 175.593 176.300 -0.868 0.000 1.260 172 M CA -0.950 53.585 55.300 -1.275 0.000 0.842 172 M CB 2.765 34.671 32.600 -1.157 0.000 1.743 172 M HN 0.524 nan 8.290 nan 0.000 0.461 173 A N 1.784 124.231 122.820 -0.621 0.000 2.801 173 A HA 0.660 4.979 4.320 -0.002 0.000 0.344 173 A C -1.078 176.415 177.584 -0.151 0.000 1.322 173 A CA -0.478 51.462 52.037 -0.160 0.000 0.913 173 A CB -0.503 18.526 19.000 0.048 0.000 1.140 173 A HN 0.594 nan 8.150 nan 0.000 0.487 174 F N 1.260 121.299 119.950 0.149 0.000 2.578 174 F HA 0.296 4.822 4.527 -0.002 0.000 0.376 174 F C 0.358 176.319 175.800 0.268 0.000 1.085 174 F CA -0.050 58.089 58.000 0.232 0.000 1.260 174 F CB 0.642 39.926 39.000 0.473 0.000 1.095 174 F HN 0.410 nan 8.300 nan 0.000 0.573 175 L N 5.680 127.116 121.223 0.356 0.000 2.313 175 L HA 0.543 4.882 4.340 -0.002 0.000 0.283 175 L C -1.602 175.404 176.870 0.226 0.000 1.013 175 L CA -0.861 54.136 54.840 0.263 0.000 0.816 175 L CB 0.484 42.615 42.059 0.120 0.000 1.236 175 L HN 0.402 nan 8.230 nan 0.000 0.419 176 Y N 2.643 123.015 120.300 0.120 0.000 2.524 176 Y HA 0.692 5.241 4.550 -0.002 0.000 0.344 176 Y C -0.283 175.757 175.900 0.233 0.000 1.012 176 Y CA -0.705 57.509 58.100 0.191 0.000 1.068 176 Y CB 1.950 40.497 38.460 0.144 0.000 1.249 176 Y HN 0.639 nan 8.280 nan 0.000 0.468 177 Q N 0.512 120.565 119.800 0.421 0.000 2.451 177 Q HA 0.873 5.212 4.340 -0.002 0.000 0.281 177 Q C -1.311 174.781 176.000 0.152 0.000 1.099 177 Q CA -1.182 54.789 55.803 0.281 0.000 0.806 177 Q CB 3.021 31.846 28.738 0.145 0.000 1.419 177 Q HN 0.528 nan 8.270 nan 0.000 0.427 178 S N -0.715 114.927 115.700 -0.096 0.000 2.587 178 S HA 0.452 4.921 4.470 -0.002 0.000 0.269 178 S C -0.362 174.163 174.600 -0.125 0.000 1.154 178 S CA 0.160 58.123 58.200 -0.394 0.000 0.824 178 S CB 1.661 64.008 63.200 -1.421 0.000 1.118 178 S HN 0.786 nan 8.310 nan 0.000 0.462 179 T N -0.597 113.892 114.554 -0.109 0.000 3.000 179 T HA 0.182 4.531 4.350 -0.002 0.000 0.248 179 T C 0.739 175.505 174.700 0.110 0.000 1.034 179 T CA 0.915 63.037 62.100 0.037 0.000 1.060 179 T CB -0.380 68.477 68.868 -0.020 0.000 0.983 179 T HN 0.630 nan 8.240 nan 0.000 0.482 180 D N -0.461 119.919 120.400 -0.033 0.000 2.423 180 D HA 0.214 4.853 4.640 -0.002 0.000 0.212 180 D C 0.778 177.080 176.300 0.002 0.000 1.060 180 D CA -0.463 53.537 54.000 -0.001 0.000 0.872 180 D CB -0.236 40.529 40.800 -0.057 0.000 1.012 180 D HN 0.271 nan 8.370 nan 0.000 0.503 181 F N -0.735 118.906 119.950 -0.515 0.000 2.306 181 F HA -0.282 4.244 4.527 -0.002 0.000 0.320 181 F C 0.229 175.821 175.800 -0.347 0.000 0.610 181 F CA 0.508 58.130 58.000 -0.629 0.000 1.806 181 F CB -1.132 37.625 39.000 -0.405 0.000 2.328 181 F HN -0.005 nan 8.300 nan 0.000 0.281 182 V N -1.712 117.971 119.914 -0.385 0.000 3.137 182 V HA 0.226 4.345 4.120 -0.002 0.000 0.236 182 V C 0.870 176.833 176.094 -0.219 0.000 1.260 182 V CA 0.723 62.890 62.300 -0.221 0.000 1.244 182 V CB 0.132 31.825 31.823 -0.217 0.000 1.016 182 V HN 0.201 nan 8.190 nan 0.000 0.477 183 N N 0.869 119.369 118.700 -0.333 0.000 2.439 183 N HA 0.269 5.008 4.740 -0.002 0.000 0.249 183 N C -1.561 173.771 175.510 -0.296 0.000 1.003 183 N CA -0.058 52.885 53.050 -0.178 0.000 0.942 183 N CB 0.996 39.416 38.487 -0.112 0.000 1.115 183 N HN 0.341 nan 8.380 nan 0.000 0.505 184 W N 1.810 123.090 121.300 -0.032 0.000 2.639 184 W HA 0.425 5.083 4.660 -0.002 0.000 0.347 184 W C 0.294 176.885 176.519 0.120 0.000 1.067 184 W CA -0.881 56.483 57.345 0.031 0.000 1.218 184 W CB 1.264 30.722 29.460 -0.002 0.000 1.393 184 W HN 0.199 nan 8.180 nan 0.000 0.557 185 K N 1.769 122.403 120.400 0.389 0.000 2.545 185 K HA 0.567 4.886 4.320 -0.002 0.000 0.252 185 K C -0.360 176.280 176.600 0.067 0.000 0.948 185 K CA -1.144 55.272 56.287 0.214 0.000 0.827 185 K CB 1.759 34.320 32.500 0.102 0.000 1.128 185 K HN 0.642 nan 8.250 nan 0.000 0.429 186 R N 1.991 122.352 120.500 -0.231 0.000 2.583 186 R HA -0.049 4.290 4.340 -0.002 0.000 0.274 186 R C -0.830 175.310 176.300 -0.266 0.000 0.998 186 R CA -0.165 55.458 56.100 -0.794 0.000 1.081 186 R CB 0.089 29.944 30.300 -0.742 0.000 0.940 186 R HN 0.668 nan 8.270 nan 0.000 0.413 187 Y N 1.806 121.932 120.300 -0.290 0.000 2.298 187 Y HA 0.008 4.557 4.550 -0.001 0.000 0.329 187 Y C 1.185 177.033 175.900 -0.086 0.000 1.293 187 Y CA -0.035 58.002 58.100 -0.106 0.000 1.388 187 Y CB 1.192 39.634 38.460 -0.030 0.000 1.309 187 Y HN 0.924 nan 8.280 nan 0.000 0.544 188 D N 0.091 120.035 120.400 -0.760 0.000 2.123 188 D HA -0.158 4.481 4.640 -0.002 0.000 0.196 188 D C 0.002 176.213 176.300 -0.148 0.000 0.992 188 D CA 1.682 55.412 54.000 -0.450 0.000 0.833 188 D CB 0.256 40.715 40.800 -0.567 0.000 0.954 188 D HN 0.490 nan 8.370 nan 0.000 0.455 189 Q N -0.659 119.163 119.800 0.036 0.000 2.333 189 Q HA 0.496 4.835 4.340 -0.002 0.000 0.266 189 Q C -2.308 173.832 176.000 0.235 0.000 1.053 189 Q CA -1.863 54.036 55.803 0.160 0.000 0.890 189 Q CB 1.203 30.054 28.738 0.189 0.000 1.337 189 Q HN 0.054 nan 8.270 nan 0.000 0.474 190 P HA 0.174 nan 4.420 nan 0.000 0.280 190 P C 0.407 177.739 177.300 0.053 0.000 1.272 190 P CA -0.555 62.568 63.100 0.039 0.000 0.819 190 P CB 0.748 32.355 31.700 -0.155 0.000 1.122 191 L N 0.102 121.330 121.223 0.008 0.000 2.072 191 L HA 0.111 4.450 4.340 -0.002 0.000 0.205 191 L C 0.588 177.489 176.870 0.051 0.000 1.079 191 L CA 2.070 56.906 54.840 -0.007 0.000 0.752 191 L CB -0.423 41.536 42.059 -0.167 0.000 0.906 191 L HN 0.395 nan 8.230 nan 0.000 0.436 192 S N -2.286 113.419 115.700 0.009 0.000 2.615 192 S HA 0.704 5.173 4.470 -0.002 0.000 0.268 192 S C -1.225 173.283 174.600 -0.154 0.000 1.146 192 S CA -0.096 58.161 58.200 0.096 0.000 0.818 192 S CB 0.921 64.298 63.200 0.295 0.000 1.111 192 S HN 0.579 nan 8.310 nan 0.000 0.465 193 S N 0.577 116.183 115.700 -0.156 0.000 2.643 193 S HA 0.869 5.338 4.470 -0.002 0.000 0.266 193 S C -1.014 173.449 174.600 -0.228 0.000 1.130 193 S CA -0.274 57.557 58.200 -0.615 0.000 0.817 193 S CB 0.650 63.502 63.200 -0.581 0.000 1.107 193 S HN 1.850 nan 8.310 nan 0.000 0.471 194 A N 0.387 123.012 122.820 -0.325 0.000 2.566 194 A HA 0.849 5.168 4.320 -0.002 0.000 0.292 194 A C -1.804 175.675 177.584 -0.175 0.000 1.112 194 A CA -0.731 51.249 52.037 -0.094 0.000 0.707 194 A CB 1.115 20.153 19.000 0.062 0.000 1.302 194 A HN 0.743 nan 8.150 nan 0.000 0.409 195 D N 0.293 120.632 120.400 -0.101 0.000 2.277 195 D HA 0.536 5.175 4.640 -0.002 0.000 0.250 195 D C 0.792 177.049 176.300 -0.073 0.000 1.032 195 D CA 0.934 54.880 54.000 -0.090 0.000 0.947 195 D CB 1.366 42.134 40.800 -0.055 0.000 1.159 195 D HN 1.432 nan 8.370 nan 0.000 0.460 196 A N 0.842 123.628 122.820 -0.056 0.000 2.744 196 A HA -0.235 4.084 4.320 -0.002 0.000 0.300 196 A C 1.318 178.893 177.584 -0.014 0.000 1.512 196 A CA 1.927 53.948 52.037 -0.026 0.000 0.851 196 A CB -2.260 16.734 19.000 -0.009 0.000 0.987 196 A HN 0.650 nan 8.150 nan 0.000 0.507 197 T N -3.603 110.921 114.554 -0.051 0.000 3.022 197 T HA 0.496 4.845 4.350 -0.002 0.000 0.250 197 T C 1.809 176.556 174.700 0.078 0.000 1.060 197 T CA 1.171 63.251 62.100 -0.033 0.000 1.013 197 T CB 0.201 68.853 68.868 -0.358 0.000 0.982 197 T HN 2.554 nan 8.240 nan 0.000 0.508 198 G N 2.217 111.047 108.800 0.051 0.000 2.814 198 G HA2 -0.076 3.883 3.960 -0.002 0.000 0.677 198 G HA3 -0.076 3.883 3.960 -0.002 0.000 0.677 198 G C -0.146 174.863 174.900 0.183 0.000 1.429 198 G CA -0.596 44.569 45.100 0.108 0.000 0.868 198 G HN 1.166 nan 8.290 nan 0.000 0.553 199 T N -1.063 113.603 114.554 0.186 0.000 2.723 199 T HA 0.088 4.437 4.350 -0.002 0.000 0.260 199 T C 0.075 175.025 174.700 0.417 0.000 1.019 199 T CA 0.861 63.109 62.100 0.246 0.000 1.155 199 T CB 0.248 69.246 68.868 0.215 0.000 1.024 199 T HN 0.789 nan 8.240 nan 0.000 0.491 200 W N 2.808 124.175 121.300 0.111 0.000 2.332 200 W HA 0.404 5.063 4.660 -0.002 0.000 0.306 200 W C 0.542 177.172 176.519 0.184 0.000 1.149 200 W CA -1.072 56.370 57.345 0.163 0.000 1.271 200 W CB -0.003 29.491 29.460 0.057 0.000 1.243 200 W HN 0.728 nan 8.180 nan 0.000 0.459 201 E N 1.739 122.164 120.200 0.375 0.000 2.204 201 E HA 0.301 4.650 4.350 -0.002 0.000 0.276 201 E C 0.038 176.717 176.600 0.132 0.000 0.974 201 E CA -0.611 55.928 56.400 0.232 0.000 0.815 201 E CB 1.244 31.077 29.700 0.223 0.000 1.119 201 E HN 0.372 nan 8.360 nan 0.000 0.393 202 C N 2.452 121.815 119.300 0.105 0.000 3.899 202 C HA -0.104 4.355 4.460 -0.002 0.000 0.297 202 C C -2.040 173.027 174.990 0.128 0.000 1.371 202 C CA -0.842 58.226 59.018 0.084 0.000 2.088 202 C CB -2.678 25.065 27.740 0.005 0.000 1.346 202 C HN 0.634 nan 8.230 nan 0.000 0.658 203 P HA 0.306 nan 4.420 nan 0.000 0.270 203 P C 0.013 177.451 177.300 0.230 0.000 1.221 203 P CA 0.786 64.012 63.100 0.210 0.000 0.788 203 P CB 0.470 32.323 31.700 0.255 0.000 0.904 204 D N 0.150 120.702 120.400 0.253 0.000 2.886 204 D HA 0.460 5.099 4.640 -0.002 0.000 0.216 204 D C -2.145 174.331 176.300 0.294 0.000 1.256 204 D CA -0.330 53.868 54.000 0.330 0.000 0.844 204 D CB 0.746 41.780 40.800 0.391 0.000 1.669 204 D HN 0.099 nan 8.370 nan 0.000 0.513 205 F N 5.218 125.209 119.950 0.069 0.000 2.831 205 F HA 0.490 5.016 4.527 -0.001 0.000 0.346 205 F C -1.853 173.811 175.800 -0.227 0.000 1.224 205 F CA -0.464 57.391 58.000 -0.241 0.000 1.048 205 F CB 0.672 39.475 39.000 -0.328 0.000 1.339 205 F HN 0.304 nan 8.300 nan 0.000 0.514 206 Y N 4.167 124.155 120.300 -0.519 0.000 2.644 206 Y HA 0.889 5.438 4.550 -0.002 0.000 0.338 206 Y C -3.308 172.164 175.900 -0.714 0.000 1.119 206 Y CA -3.272 54.544 58.100 -0.474 0.000 1.060 206 Y CB 1.206 39.569 38.460 -0.163 0.000 1.294 206 Y HN 0.247 nan 8.280 nan 0.000 0.472 207 P HA 0.415 nan 4.420 nan 0.000 0.296 207 P C -1.192 176.017 177.300 -0.153 0.000 1.301 207 P CA -0.554 62.142 63.100 -0.675 0.000 0.862 207 P CB 2.587 33.893 31.700 -0.656 0.000 1.046 208 V N 0.084 119.934 119.914 -0.108 0.000 2.495 208 V HA 0.595 4.714 4.120 -0.002 0.000 0.298 208 V C -2.604 173.503 176.094 0.021 0.000 1.031 208 V CA -3.102 59.222 62.300 0.039 0.000 0.871 208 V CB 1.754 33.640 31.823 0.105 0.000 0.988 208 V HN 0.392 nan 8.190 nan 0.000 0.432 209 P HA 0.321 nan 4.420 nan 0.000 0.282 209 P C -0.210 177.120 177.300 0.049 0.000 1.262 209 P CA -0.224 62.894 63.100 0.030 0.000 0.773 209 P CB 1.310 33.025 31.700 0.024 0.000 0.879 210 L N 3.624 124.872 121.223 0.042 0.000 2.461 210 L HA 0.080 4.419 4.340 -0.002 0.000 0.272 210 L C 1.540 178.432 176.870 0.038 0.000 1.197 210 L CA 0.103 54.973 54.840 0.051 0.000 0.836 210 L CB -0.310 41.776 42.059 0.045 0.000 1.105 210 L HN 0.600 nan 8.230 nan 0.000 0.477 211 N N 1.744 120.471 118.700 0.045 0.000 2.666 211 N HA -0.210 4.529 4.740 -0.002 0.000 0.274 211 N C -0.817 174.691 175.510 -0.002 0.000 1.043 211 N CA 0.879 53.944 53.050 0.025 0.000 0.782 211 N CB -0.137 38.360 38.487 0.017 0.000 0.912 211 N HN 0.693 nan 8.380 nan 0.000 0.556 212 S N -1.105 114.587 115.700 -0.013 0.000 2.661 212 S HA 0.573 5.042 4.470 -0.002 0.000 0.268 212 S C 0.199 174.709 174.600 -0.150 0.000 1.162 212 S CA 0.260 58.420 58.200 -0.067 0.000 0.817 212 S CB 1.301 64.480 63.200 -0.034 0.000 1.141 212 S HN 0.457 nan 8.310 nan 0.000 0.477 213 T N -0.230 114.149 114.554 -0.291 0.000 3.460 213 T HA 0.468 4.817 4.350 -0.002 0.000 0.304 213 T C -0.319 174.084 174.700 -0.494 0.000 0.991 213 T CA -0.395 61.286 62.100 -0.698 0.000 0.975 213 T CB -0.874 67.378 68.868 -1.027 0.000 1.196 213 T HN 0.471 nan 8.240 nan 0.000 0.490 214 N N -0.105 118.499 118.700 -0.160 0.000 3.002 214 N HA 0.789 5.528 4.740 -0.002 0.000 0.331 214 N C 0.134 175.701 175.510 0.096 0.000 1.384 214 N CA -0.936 52.094 53.050 -0.034 0.000 0.780 214 N CB 0.785 39.260 38.487 -0.020 0.000 1.492 214 N HN 0.296 nan 8.380 nan 0.000 0.608 215 G N -0.857 108.047 108.800 0.172 0.000 2.820 215 G HA2 0.802 4.761 3.960 -0.002 0.000 0.291 215 G HA3 0.802 4.761 3.960 -0.002 0.000 0.291 215 G C -1.225 173.839 174.900 0.273 0.000 1.323 215 G CA -0.539 44.707 45.100 0.243 0.000 1.055 215 G HN 0.296 nan 8.290 nan 0.000 0.520 216 L N -0.986 120.250 121.223 0.022 0.000 2.359 216 L HA 0.385 4.724 4.340 -0.002 0.000 0.256 216 L C -1.141 175.108 176.870 -1.034 0.000 1.026 216 L CA -1.027 53.575 54.840 -0.397 0.000 0.828 216 L CB 2.424 44.373 42.059 -0.185 0.000 1.406 216 L HN 0.540 nan 8.230 nan 0.000 0.413 217 D N -0.237 119.484 120.400 -1.132 0.000 2.351 217 D HA 0.117 4.756 4.640 -0.002 0.000 0.251 217 D C 1.023 177.194 176.300 -0.215 0.000 1.137 217 D CA 0.077 53.591 54.000 -0.810 0.000 0.879 217 D CB 1.418 41.990 40.800 -0.380 0.000 1.181 217 D HN 0.576 nan 8.370 nan 0.000 0.448 218 T N 2.045 116.598 114.554 -0.002 0.000 2.635 218 T HA -0.280 4.069 4.350 -0.002 0.000 0.265 218 T C 1.772 176.590 174.700 0.196 0.000 1.058 218 T CA 1.967 64.153 62.100 0.144 0.000 1.162 218 T CB -0.532 68.538 68.868 0.338 0.000 0.859 218 T HN 0.503 nan 8.240 nan 0.000 0.449 219 S N 0.755 116.625 115.700 0.282 0.000 2.528 219 S HA 0.050 4.519 4.470 -0.002 0.000 0.244 219 S C 0.940 175.725 174.600 0.308 0.000 0.982 219 S CA 0.004 58.405 58.200 0.335 0.000 0.953 219 S CB -0.595 62.770 63.200 0.275 0.000 0.754 219 S HN 0.329 nan 8.310 nan 0.000 0.529 220 V N 2.318 122.363 119.914 0.219 0.000 2.924 220 V HA 0.354 4.473 4.120 -0.002 0.000 0.305 220 V C -0.198 176.153 176.094 0.429 0.000 1.073 220 V CA -0.365 62.092 62.300 0.263 0.000 1.098 220 V CB 0.166 32.022 31.823 0.055 0.000 1.000 220 V HN 0.582 nan 8.190 nan 0.000 0.484 221 Y N 0.607 120.996 120.300 0.149 0.000 2.624 221 Y HA 0.872 5.421 4.550 -0.001 0.000 0.334 221 Y C -0.269 175.715 175.900 0.140 0.000 1.155 221 Y CA -0.345 57.891 58.100 0.226 0.000 1.046 221 Y CB 1.732 40.354 38.460 0.271 0.000 1.316 221 Y HN 1.001 nan 8.280 nan 0.000 0.457 222 G N -0.300 108.471 108.800 -0.047 0.000 2.324 222 G HA2 0.378 4.337 3.960 -0.002 0.000 0.293 222 G HA3 0.378 4.337 3.960 -0.002 0.000 0.293 222 G C -0.069 174.829 174.900 -0.005 0.000 1.297 222 G CA -0.302 44.699 45.100 -0.164 0.000 0.853 222 G HN 1.308 nan 8.290 nan 0.000 0.535 223 G N -0.647 108.140 108.800 -0.022 0.000 2.683 223 G HA2 0.288 4.247 3.960 -0.002 0.000 0.213 223 G HA3 0.288 4.247 3.960 -0.002 0.000 0.213 223 G C 1.300 176.214 174.900 0.022 0.000 1.142 223 G CA 1.662 46.772 45.100 0.016 0.000 0.793 223 G HN 1.601 nan 8.290 nan 0.000 0.534 224 S N -0.129 115.575 115.700 0.006 0.000 2.552 224 S HA 0.584 5.053 4.470 -0.002 0.000 0.246 224 S C -0.201 174.412 174.600 0.021 0.000 1.019 224 S CA -0.518 57.689 58.200 0.012 0.000 1.045 224 S CB 0.576 63.774 63.200 -0.003 0.000 0.784 224 S HN -0.020 nan 8.310 nan 0.000 0.453 225 V N 1.067 121.007 119.914 0.043 0.000 3.049 225 V HA 0.653 4.772 4.120 -0.002 0.000 0.309 225 V C -0.683 175.473 176.094 0.103 0.000 1.148 225 V CA -0.899 61.431 62.300 0.051 0.000 0.990 225 V CB 2.267 34.116 31.823 0.044 0.000 1.039 225 V HN 0.297 nan 8.190 nan 0.000 0.430 226 R N 0.436 120.979 120.500 0.071 0.000 2.867 226 R HA 0.637 4.976 4.340 -0.002 0.000 0.268 226 R C -1.496 174.817 176.300 0.022 0.000 1.014 226 R CA -0.943 55.236 56.100 0.131 0.000 0.946 226 R CB 2.073 32.440 30.300 0.110 0.000 1.208 226 R HN 0.804 nan 8.270 nan 0.000 0.477 227 H N -0.735 118.349 119.070 0.023 0.000 2.492 227 H HA 0.431 4.986 4.556 -0.002 0.000 0.345 227 H C -0.572 174.657 175.328 -0.165 0.000 1.136 227 H CA -0.438 55.482 56.048 -0.212 0.000 1.202 227 H CB 1.856 31.401 29.762 -0.362 0.000 1.524 227 H HN 0.053 nan 8.280 nan 0.000 0.506 228 V N 3.987 123.615 119.914 -0.477 0.000 2.370 228 V HA 0.178 4.297 4.120 -0.002 0.000 0.279 228 V C -0.202 175.611 176.094 -0.468 0.000 1.029 228 V CA -0.683 61.370 62.300 -0.413 0.000 0.870 228 V CB 0.999 32.348 31.823 -0.789 0.000 0.984 228 V HN 0.656 nan 8.190 nan 0.000 0.451 229 M N 7.290 126.814 119.600 -0.126 0.000 2.066 229 M HA 0.458 4.937 4.480 -0.002 0.000 0.340 229 M C -0.686 175.632 176.300 0.030 0.000 1.053 229 M CA -0.141 55.111 55.300 -0.081 0.000 0.983 229 M CB 0.590 32.979 32.600 -0.352 0.000 1.520 229 M HN 0.546 nan 8.290 nan 0.000 0.428 230 K N 3.953 124.369 120.400 0.028 0.000 2.208 230 K HA 0.964 5.283 4.320 -0.002 0.000 0.247 230 K C -2.019 174.570 176.600 -0.018 0.000 0.953 230 K CA -0.355 55.949 56.287 0.029 0.000 0.837 230 K CB 1.763 34.300 32.500 0.061 0.000 1.131 230 K HN 0.807 nan 8.250 nan 0.000 0.431 231 A N 1.538 124.309 122.820 -0.082 0.000 2.594 231 A HA 0.593 4.912 4.320 -0.002 0.000 0.296 231 A C -0.875 176.737 177.584 0.046 0.000 1.061 231 A CA -0.451 51.498 52.037 -0.145 0.000 0.689 231 A CB 1.403 19.912 19.000 -0.818 0.000 1.280 231 A HN 0.681 nan 8.150 nan 0.000 0.406 232 G N 0.123 109.004 108.800 0.134 0.000 2.371 232 G HA2 0.880 4.839 3.960 -0.002 0.000 0.326 232 G HA3 0.880 4.839 3.960 -0.002 0.000 0.326 232 G C -0.762 174.482 174.900 0.573 0.000 1.127 232 G CA -0.349 44.922 45.100 0.285 0.000 0.885 232 G HN 1.885 nan 8.290 nan 0.000 0.477 233 F N -1.301 118.956 119.950 0.511 0.000 2.714 233 F HA 0.473 4.998 4.527 -0.002 0.000 0.313 233 F C -0.055 175.962 175.800 0.363 0.000 1.104 233 F CA -1.259 56.953 58.000 0.353 0.000 1.005 233 F CB 0.571 39.697 39.000 0.210 0.000 1.268 233 F HN 0.679 nan 8.300 nan 0.000 0.449 234 E N 1.244 121.635 120.200 0.318 0.000 2.759 234 E HA -0.084 4.265 4.350 -0.002 0.000 0.280 234 E C 1.076 177.572 176.600 -0.174 0.000 1.009 234 E CA 0.933 57.406 56.400 0.120 0.000 0.849 234 E CB -1.655 28.173 29.700 0.213 0.000 1.415 234 E HN 2.226 nan 8.360 nan 0.000 0.412 235 G N -0.221 108.408 108.800 -0.286 0.000 2.162 235 G HA2 -0.342 3.617 3.960 -0.002 0.000 0.260 235 G HA3 -0.342 3.617 3.960 -0.002 0.000 0.260 235 G C -0.084 174.397 174.900 -0.700 0.000 0.976 235 G CA 1.048 45.736 45.100 -0.688 0.000 0.655 235 G HN 0.622 nan 8.290 nan 0.000 0.533 236 H N -0.628 118.318 119.070 -0.205 0.000 2.928 236 H HA 0.503 5.058 4.556 -0.002 0.000 0.371 236 H C -1.366 173.814 175.328 -0.247 0.000 1.186 236 H CA -1.193 54.678 56.048 -0.294 0.000 1.134 236 H CB 1.760 31.087 29.762 -0.725 0.000 1.824 236 H HN 0.069 nan 8.280 nan 0.000 0.554 237 D N 1.865 122.116 120.400 -0.249 0.000 2.280 237 D HA 0.111 4.750 4.640 -0.002 0.000 0.236 237 D C -0.902 175.014 176.300 -0.639 0.000 1.082 237 D CA -0.192 53.654 54.000 -0.257 0.000 0.834 237 D CB 0.991 41.785 40.800 -0.009 0.000 1.100 237 D HN 0.258 nan 8.370 nan 0.000 0.486 238 W N 2.613 123.716 121.300 -0.327 0.000 2.736 238 W HA 0.534 5.193 4.660 -0.002 0.000 0.355 238 W C -0.131 176.249 176.519 -0.232 0.000 1.102 238 W CA -1.035 56.106 57.345 -0.340 0.000 1.164 238 W CB 0.476 29.717 29.460 -0.364 0.000 1.422 238 W HN 0.290 nan 8.180 nan 0.000 0.572 239 Y N -1.794 118.484 120.300 -0.037 0.000 2.655 239 Y HA 0.845 5.394 4.550 -0.002 0.000 0.336 239 Y C -0.963 174.976 175.900 0.065 0.000 1.154 239 Y CA -1.693 56.366 58.100 -0.068 0.000 1.055 239 Y CB 1.740 40.059 38.460 -0.236 0.000 1.295 239 Y HN 0.486 nan 8.280 nan 0.000 0.465 240 T N 1.914 116.699 114.554 0.385 0.000 3.193 240 T HA 0.557 4.906 4.350 -0.002 0.000 0.332 240 T C -1.616 173.344 174.700 0.434 0.000 1.208 240 T CA -0.527 61.776 62.100 0.337 0.000 1.080 240 T CB 0.576 69.633 68.868 0.315 0.000 1.180 240 T HN 0.768 nan 8.240 nan 0.000 0.469 241 I N 4.200 124.984 120.570 0.356 0.000 2.395 241 I HA 0.653 4.822 4.170 -0.002 0.000 0.289 241 I C 1.122 177.383 176.117 0.240 0.000 1.023 241 I CA -0.028 61.448 61.300 0.294 0.000 1.350 241 I CB 1.232 39.368 38.000 0.226 0.000 1.409 241 I HN 0.849 nan 8.210 nan 0.000 0.507 242 G N 3.680 112.640 108.800 0.267 0.000 2.782 242 G HA2 0.550 4.509 3.960 -0.002 0.000 0.304 242 G HA3 0.550 4.509 3.960 -0.002 0.000 0.304 242 G C -1.368 173.592 174.900 0.100 0.000 1.315 242 G CA -0.334 44.745 45.100 -0.035 0.000 0.791 242 G HN 0.377 nan 8.290 nan 0.000 0.519 243 T N 0.155 114.685 114.554 -0.041 0.000 2.829 243 T HA 0.538 4.887 4.350 -0.002 0.000 0.280 243 T C -1.663 173.192 174.700 0.259 0.000 0.999 243 T CA -0.077 62.104 62.100 0.135 0.000 0.983 243 T CB 1.443 70.346 68.868 0.058 0.000 0.968 243 T HN 0.444 nan 8.240 nan 0.000 0.446 244 Y N 2.474 122.859 120.300 0.142 0.000 2.377 244 Y HA 0.548 5.097 4.550 -0.002 0.000 0.339 244 Y C -0.347 175.602 175.900 0.082 0.000 1.011 244 Y CA -1.473 56.685 58.100 0.097 0.000 1.093 244 Y CB 1.420 39.676 38.460 -0.341 0.000 1.201 244 Y HN 0.586 nan 8.280 nan 0.000 0.455 245 S N 6.416 121.831 115.700 -0.475 0.000 2.395 245 S HA 0.325 4.794 4.470 -0.002 0.000 0.207 245 S C -2.525 171.702 174.600 -0.620 0.000 1.454 245 S CA -1.355 56.596 58.200 -0.415 0.000 1.211 245 S CB 1.476 64.595 63.200 -0.134 0.000 1.093 245 S HN 0.539 nan 8.310 nan 0.000 0.472 246 P HA -0.224 nan 4.420 nan 0.000 0.219 246 P C 0.956 178.138 177.300 -0.198 0.000 1.158 246 P CA 1.496 64.319 63.100 -0.463 0.000 0.895 246 P CB -0.010 31.550 31.700 -0.234 0.000 0.792 247 D N -1.019 119.298 120.400 -0.139 0.000 2.280 247 D HA -0.181 4.458 4.640 -0.002 0.000 0.206 247 D C 1.326 177.612 176.300 -0.023 0.000 0.988 247 D CA 1.180 55.147 54.000 -0.056 0.000 0.886 247 D CB -0.197 40.586 40.800 -0.029 0.000 0.914 247 D HN 0.468 nan 8.370 nan 0.000 0.473 248 R N -0.398 120.076 120.500 -0.044 0.000 2.538 248 R HA 0.132 4.471 4.340 -0.002 0.000 0.372 248 R C -0.312 175.985 176.300 -0.004 0.000 0.950 248 R CA -0.397 55.717 56.100 0.024 0.000 1.168 248 R CB 0.305 30.629 30.300 0.041 0.000 1.542 248 R HN -0.275 nan 8.270 nan 0.000 0.536 249 E N 1.427 121.566 120.200 -0.101 0.000 2.210 249 E HA -0.242 4.107 4.350 -0.002 0.000 0.201 249 E C -1.120 175.525 176.600 0.074 0.000 1.339 249 E CA 1.002 57.358 56.400 -0.072 0.000 0.699 249 E CB -1.591 27.814 29.700 -0.493 0.000 1.126 249 E HN 0.537 nan 8.360 nan 0.000 0.355 250 N N 0.471 119.235 118.700 0.107 0.000 2.342 250 N HA 0.490 5.229 4.740 -0.002 0.000 0.293 250 N C -1.611 174.096 175.510 0.327 0.000 1.026 250 N CA -0.726 52.430 53.050 0.177 0.000 0.857 250 N CB 0.832 39.377 38.487 0.096 0.000 1.256 250 N HN 0.105 nan 8.380 nan 0.000 0.484 251 F N 4.832 124.897 119.950 0.190 0.000 2.403 251 F HA 0.487 5.013 4.527 -0.002 0.000 0.355 251 F C -1.490 174.415 175.800 0.174 0.000 1.119 251 F CA -0.988 57.159 58.000 0.244 0.000 1.007 251 F CB 0.712 39.868 39.000 0.260 0.000 1.194 251 F HN 0.393 nan 8.300 nan 0.000 0.443 252 L N 9.021 130.008 121.223 -0.394 0.000 2.277 252 L HA 0.485 4.824 4.340 -0.002 0.000 0.284 252 L C -2.356 174.180 176.870 -0.556 0.000 1.028 252 L CA -2.043 52.587 54.840 -0.350 0.000 0.835 252 L CB 1.355 43.332 42.059 -0.137 0.000 1.215 252 L HN 0.446 nan 8.230 nan 0.000 0.425 253 P HA -0.051 nan 4.420 nan 0.000 0.266 253 P C 0.070 177.286 177.300 -0.141 0.000 1.193 253 P CA 0.222 63.136 63.100 -0.309 0.000 0.770 253 P CB 0.692 32.347 31.700 -0.075 0.000 0.836 254 Q N 2.942 122.709 119.800 -0.054 0.000 2.049 254 Q HA -0.207 4.132 4.340 -0.002 0.000 0.198 254 Q C 1.331 177.337 176.000 0.011 0.000 0.971 254 Q CA 2.005 57.806 55.803 -0.004 0.000 0.833 254 Q CB -0.271 28.493 28.738 0.044 0.000 0.896 254 Q HN 0.537 nan 8.270 nan 0.000 0.434 255 N N -1.245 117.472 118.700 0.028 0.000 2.461 255 N HA 0.069 4.808 4.740 -0.002 0.000 0.188 255 N C 0.712 176.235 175.510 0.021 0.000 1.134 255 N CA 0.804 53.873 53.050 0.030 0.000 0.878 255 N CB 0.267 38.781 38.487 0.043 0.000 0.972 255 N HN 0.312 nan 8.380 nan 0.000 0.456 256 G N -0.245 108.560 108.800 0.009 0.000 2.221 256 G HA2 -0.245 3.714 3.960 -0.002 0.000 0.265 256 G HA3 -0.245 3.714 3.960 -0.002 0.000 0.265 256 G C -0.515 174.399 174.900 0.024 0.000 1.041 256 G CA 0.555 45.659 45.100 0.006 0.000 0.807 256 G HN 0.349 nan 8.290 nan 0.000 0.502 257 L N -0.281 120.967 121.223 0.042 0.000 2.354 257 L HA 0.671 5.010 4.340 -0.002 0.000 0.269 257 L C 0.532 177.453 176.870 0.085 0.000 1.005 257 L CA -1.043 53.830 54.840 0.054 0.000 0.819 257 L CB 2.091 44.181 42.059 0.051 0.000 1.311 257 L HN 0.090 nan 8.230 nan 0.000 0.423 258 S N 1.418 117.167 115.700 0.082 0.000 2.601 258 S HA 0.494 4.963 4.470 -0.002 0.000 0.271 258 S C 0.012 174.683 174.600 0.118 0.000 1.305 258 S CA -0.663 57.606 58.200 0.116 0.000 1.022 258 S CB 0.913 64.160 63.200 0.078 0.000 0.940 258 S HN 0.306 nan 8.310 nan 0.000 0.525 259 L N 2.048 123.376 121.223 0.175 0.000 2.485 259 L HA 0.110 4.449 4.340 -0.002 0.000 0.275 259 L C 1.062 177.966 176.870 0.057 0.000 1.207 259 L CA 0.151 55.075 54.840 0.139 0.000 0.855 259 L CB 0.136 42.329 42.059 0.224 0.000 1.114 259 L HN 0.819 nan 8.230 nan 0.000 0.485 260 T N -1.657 112.889 114.554 -0.013 0.000 2.969 260 T HA 0.169 4.518 4.350 -0.002 0.000 0.258 260 T C 1.172 175.781 174.700 -0.152 0.000 0.962 260 T CA 0.297 62.369 62.100 -0.047 0.000 0.903 260 T CB 0.841 69.697 68.868 -0.021 0.000 1.177 260 T HN 0.924 nan 8.240 nan 0.000 0.511 261 G N 2.510 111.020 108.800 -0.484 0.000 2.143 261 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.248 261 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.248 261 G C 0.239 174.941 174.900 -0.331 0.000 0.991 261 G CA 0.387 44.839 45.100 -1.080 0.000 0.689 261 G HN 1.007 nan 8.290 nan 0.000 0.522 262 S N -1.327 114.311 115.700 -0.103 0.000 2.745 262 S HA 0.671 5.140 4.470 -0.002 0.000 0.292 262 S C 1.260 175.962 174.600 0.169 0.000 1.133 262 S CA 0.522 58.762 58.200 0.068 0.000 0.998 262 S CB 1.437 64.661 63.200 0.040 0.000 1.087 262 S HN 1.187 nan 8.310 nan 0.000 0.551 263 T N -0.840 113.808 114.554 0.157 0.000 3.541 263 T HA 0.091 4.440 4.350 -0.002 0.000 0.255 263 T C 0.806 175.578 174.700 0.119 0.000 1.158 263 T CA 0.197 62.393 62.100 0.160 0.000 1.000 263 T CB -0.608 68.335 68.868 0.124 0.000 1.008 263 T HN 0.376 nan 8.240 nan 0.000 0.568 264 L N 0.438 121.727 121.223 0.110 0.000 2.515 264 L HA 0.426 4.765 4.340 -0.002 0.000 0.223 264 L C 0.559 177.483 176.870 0.089 0.000 1.079 264 L CA 0.645 55.530 54.840 0.075 0.000 0.857 264 L CB 0.144 42.234 42.059 0.050 0.000 1.050 264 L HN 0.246 nan 8.230 nan 0.000 0.476 265 D N -1.107 119.374 120.400 0.136 0.000 2.529 265 D HA 0.405 5.044 4.640 -0.002 0.000 0.273 265 D C -0.330 176.060 176.300 0.150 0.000 1.197 265 D CA -0.376 53.708 54.000 0.140 0.000 1.070 265 D CB 1.375 42.279 40.800 0.174 0.000 1.134 265 D HN -0.125 nan 8.370 nan 0.000 0.590 266 L N 0.032 121.246 121.223 -0.016 0.000 2.342 266 L HA 0.522 4.861 4.340 -0.002 0.000 0.271 266 L C 0.204 176.800 176.870 -0.457 0.000 1.008 266 L CA -0.691 54.003 54.840 -0.244 0.000 0.818 266 L CB 1.719 43.395 42.059 -0.638 0.000 1.296 266 L HN 0.088 nan 8.230 nan 0.000 0.427 267 R N 0.544 120.726 120.500 -0.531 0.000 2.854 267 R HA 0.356 4.695 4.340 -0.002 0.000 0.271 267 R C -0.293 175.758 176.300 -0.416 0.000 0.994 267 R CA -0.792 54.878 56.100 -0.715 0.000 0.945 267 R CB 1.579 31.170 30.300 -1.182 0.000 1.194 267 R HN 0.348 nan 8.270 nan 0.000 0.476 268 Y N 0.175 120.330 120.300 -0.241 0.000 2.130 268 Y HA -0.058 4.491 4.550 -0.002 0.000 0.287 268 Y C 0.903 176.431 175.900 -0.620 0.000 1.124 268 Y CA 1.158 59.133 58.100 -0.209 0.000 1.118 268 Y CB 0.148 38.521 38.460 -0.146 0.000 0.994 268 Y HN 0.479 nan 8.280 nan 0.000 0.497 269 D N -2.022 117.924 120.400 -0.756 0.000 2.498 269 D HA 0.146 4.785 4.640 -0.002 0.000 0.247 269 D C -0.969 174.821 176.300 -0.850 0.000 1.070 269 D CA -0.706 52.754 54.000 -0.901 0.000 0.842 269 D CB 0.928 40.864 40.800 -1.439 0.000 1.361 269 D HN 0.031 nan 8.370 nan 0.000 0.484 270 Y N 1.238 121.283 120.300 -0.425 0.000 2.470 270 Y HA 0.357 4.906 4.550 -0.002 0.000 0.284 270 Y C 1.388 176.984 175.900 -0.507 0.000 1.188 270 Y CA -0.087 57.750 58.100 -0.437 0.000 1.269 270 Y CB 0.887 39.170 38.460 -0.295 0.000 1.094 270 Y HN 0.397 nan 8.280 nan 0.000 0.518 271 G N -1.159 107.352 108.800 -0.482 0.000 3.247 271 G HA2 0.191 4.150 3.960 -0.002 0.000 0.163 271 G HA3 0.191 4.150 3.960 -0.002 0.000 0.163 271 G C -0.613 173.867 174.900 -0.699 0.000 1.206 271 G CA -0.545 44.059 45.100 -0.826 0.000 0.918 271 G HN -0.195 nan 8.290 nan 0.000 0.625 272 Q N 0.369 119.847 119.800 -0.536 0.000 2.369 272 Q HA 0.453 4.792 4.340 -0.002 0.000 0.247 272 Q C -1.811 174.155 176.000 -0.057 0.000 1.083 272 Q CA 0.049 55.675 55.803 -0.294 0.000 0.905 272 Q CB 0.607 29.207 28.738 -0.230 0.000 1.305 272 Q HN 0.303 nan 8.270 nan 0.000 0.465 273 F N 3.721 123.527 119.950 -0.239 0.000 2.749 273 F HA 0.320 4.846 4.527 -0.002 0.000 0.339 273 F C -2.003 173.813 175.800 0.026 0.000 1.211 273 F CA -0.799 57.132 58.000 -0.116 0.000 1.099 273 F CB 1.086 39.999 39.000 -0.145 0.000 1.359 273 F HN 0.377 nan 8.300 nan 0.000 0.549 274 Y N 3.937 124.129 120.300 -0.180 0.000 2.581 274 Y HA 0.561 5.110 4.550 -0.002 0.000 0.337 274 Y C 0.025 175.998 175.900 0.121 0.000 1.108 274 Y CA -0.635 57.448 58.100 -0.028 0.000 1.033 274 Y CB 2.249 40.665 38.460 -0.074 0.000 1.318 274 Y HN 1.040 nan 8.280 nan 0.000 0.459 275 A N 1.919 124.347 122.820 -0.653 0.000 2.925 275 A HA -0.136 4.183 4.320 -0.002 0.000 0.265 275 A C 0.195 177.727 177.584 -0.086 0.000 1.419 275 A CA 0.871 52.696 52.037 -0.353 0.000 0.807 275 A CB -2.510 16.469 19.000 -0.034 0.000 1.043 275 A HN 1.498 nan 8.150 nan 0.000 0.600 276 S N -0.810 114.863 115.700 -0.046 0.000 2.579 276 S HA 0.582 5.051 4.470 -0.002 0.000 0.275 276 S C -0.156 174.551 174.600 0.178 0.000 1.345 276 S CA 0.451 58.696 58.200 0.075 0.000 1.031 276 S CB 1.706 65.019 63.200 0.188 0.000 0.892 276 S HN 1.000 nan 8.310 nan 0.000 0.529 277 K N 0.582 121.113 120.400 0.218 0.000 2.525 277 K HA 0.459 4.778 4.320 -0.002 0.000 0.254 277 K C -0.857 175.924 176.600 0.302 0.000 0.934 277 K CA -0.484 55.962 56.287 0.264 0.000 0.802 277 K CB 1.904 34.541 32.500 0.228 0.000 1.295 277 K HN 0.907 nan 8.250 nan 0.000 0.433 278 S N 2.056 117.911 115.700 0.259 0.000 2.747 278 S HA 0.857 5.326 4.470 -0.002 0.000 0.300 278 S C -0.584 174.225 174.600 0.349 0.000 1.121 278 S CA -0.685 57.605 58.200 0.150 0.000 0.995 278 S CB 0.798 63.870 63.200 -0.212 0.000 1.113 278 S HN 0.581 nan 8.310 nan 0.000 0.547 279 F N -1.953 118.067 119.950 0.118 0.000 2.719 279 F HA 0.728 5.255 4.527 -0.001 0.000 0.309 279 F C -1.860 174.082 175.800 0.237 0.000 1.138 279 F CA -1.701 56.434 58.000 0.225 0.000 0.943 279 F CB 0.796 39.978 39.000 0.305 0.000 1.304 279 F HN 0.588 nan 8.300 nan 0.000 0.445 280 F N 3.081 123.186 119.950 0.258 0.000 2.405 280 F HA 0.388 4.914 4.527 -0.002 0.000 0.355 280 F C -0.097 175.846 175.800 0.238 0.000 1.121 280 F CA -0.618 57.450 58.000 0.113 0.000 1.112 280 F CB 0.710 39.805 39.000 0.158 0.000 1.126 280 F HN 0.623 nan 8.300 nan 0.000 0.481 281 D N 5.954 125.928 120.400 -0.710 0.000 2.479 281 D HA 0.036 4.675 4.640 -0.002 0.000 0.218 281 D C 0.731 176.530 176.300 -0.835 0.000 1.131 281 D CA -0.139 53.614 54.000 -0.410 0.000 0.916 281 D CB 0.313 40.994 40.800 -0.199 0.000 1.022 281 D HN 0.721 nan 8.370 nan 0.000 0.515 282 D N 2.100 122.137 120.400 -0.604 0.000 2.378 282 D HA -0.109 4.530 4.640 -0.002 0.000 0.227 282 D C 1.159 177.400 176.300 -0.098 0.000 1.012 282 D CA 0.058 53.882 54.000 -0.293 0.000 0.905 282 D CB 0.330 41.253 40.800 0.205 0.000 0.895 282 D HN 0.316 nan 8.370 nan 0.000 0.532 283 A N 0.988 123.747 122.820 -0.101 0.000 1.935 283 A HA -0.008 4.311 4.320 -0.002 0.000 0.214 283 A C 2.076 179.637 177.584 -0.037 0.000 1.178 283 A CA 0.514 52.528 52.037 -0.039 0.000 0.640 283 A CB 0.053 19.038 19.000 -0.025 0.000 0.825 283 A HN 0.064 nan 8.150 nan 0.000 0.447 284 K N -0.394 119.967 120.400 -0.066 0.000 2.387 284 K HA 0.132 4.451 4.320 -0.002 0.000 0.203 284 K C -0.567 175.979 176.600 -0.091 0.000 1.030 284 K CA -0.294 55.958 56.287 -0.059 0.000 1.099 284 K CB 0.269 32.748 32.500 -0.036 0.000 0.863 284 K HN 0.401 nan 8.250 nan 0.000 0.529 285 N N 2.824 121.439 118.700 -0.143 0.000 2.642 285 N HA -0.193 4.546 4.740 -0.002 0.000 0.269 285 N C -1.029 174.453 175.510 -0.047 0.000 1.073 285 N CA 1.090 54.106 53.050 -0.057 0.000 0.748 285 N CB -0.525 38.001 38.487 0.065 0.000 0.894 285 N HN 0.493 nan 8.380 nan 0.000 0.548 286 R N -0.962 119.432 120.500 -0.175 0.000 2.643 286 R HA 0.521 4.860 4.340 -0.002 0.000 0.269 286 R C -0.877 175.322 176.300 -0.168 0.000 1.037 286 R CA -1.077 54.965 56.100 -0.095 0.000 0.894 286 R CB 1.690 31.923 30.300 -0.112 0.000 1.238 286 R HN 0.141 nan 8.270 nan 0.000 0.459 287 R N 2.208 122.658 120.500 -0.083 0.000 2.255 287 R HA 0.422 4.761 4.340 -0.002 0.000 0.326 287 R C -1.022 175.064 176.300 -0.357 0.000 0.986 287 R CA -0.544 55.440 56.100 -0.194 0.000 0.847 287 R CB 1.556 31.770 30.300 -0.143 0.000 1.111 287 R HN 0.495 nan 8.270 nan 0.000 0.452 288 V N 5.471 124.987 119.914 -0.663 0.000 2.617 288 V HA 0.372 4.491 4.120 -0.002 0.000 0.298 288 V C -0.635 175.217 176.094 -0.402 0.000 1.048 288 V CA -0.874 61.047 62.300 -0.631 0.000 0.964 288 V CB 1.566 32.834 31.823 -0.924 0.000 1.004 288 V HN 0.595 nan 8.190 nan 0.000 0.466 289 L N 4.409 125.439 121.223 -0.322 0.000 2.372 289 L HA 0.574 4.913 4.340 -0.002 0.000 0.273 289 L C -1.206 175.578 176.870 -0.144 0.000 0.989 289 L CA -0.342 54.388 54.840 -0.183 0.000 0.841 289 L CB 1.082 42.985 42.059 -0.260 0.000 1.225 289 L HN 0.647 nan 8.230 nan 0.000 0.414 290 W N 4.658 125.993 121.300 0.060 0.000 2.448 290 W HA 0.791 5.450 4.660 -0.001 0.000 0.339 290 W C -0.038 176.435 176.519 -0.077 0.000 1.124 290 W CA -0.218 57.144 57.345 0.028 0.000 1.262 290 W CB 1.960 31.524 29.460 0.174 0.000 1.251 290 W HN 0.778 nan 8.180 nan 0.000 0.597 291 A N 2.209 125.087 122.820 0.096 0.000 2.566 291 A HA 0.429 4.748 4.320 -0.002 0.000 0.297 291 A C -2.222 175.306 177.584 -0.092 0.000 1.059 291 A CA -0.801 51.073 52.037 -0.271 0.000 0.691 291 A CB 0.398 18.617 19.000 -1.303 0.000 1.282 291 A HN 0.614 nan 8.150 nan 0.000 0.401 292 W N 2.955 124.122 121.300 -0.222 0.000 2.287 292 W HA 0.544 5.203 4.660 -0.002 0.000 0.313 292 W C -1.166 175.291 176.519 -0.103 0.000 1.267 292 W CA -0.452 56.829 57.345 -0.107 0.000 1.201 292 W CB 1.095 30.524 29.460 -0.053 0.000 1.196 292 W HN 0.462 nan 8.180 nan 0.000 0.536 293 V N 9.713 129.576 119.914 -0.086 0.000 2.304 293 V HA 0.267 4.386 4.120 -0.002 0.000 0.278 293 V C -1.933 173.891 176.094 -0.449 0.000 1.018 293 V CA -2.002 60.128 62.300 -0.283 0.000 0.814 293 V CB 0.907 32.693 31.823 -0.061 0.000 1.021 293 V HN 0.446 nan 8.190 nan 0.000 0.440 294 P HA 0.217 nan 4.420 nan 0.000 0.273 294 P C -0.099 177.081 177.300 -0.200 0.000 1.250 294 P CA -0.337 62.404 63.100 -0.599 0.000 0.793 294 P CB 0.720 31.929 31.700 -0.818 0.000 1.011 295 E N -0.134 120.026 120.200 -0.066 0.000 2.345 295 E HA 0.180 4.529 4.350 -0.002 0.000 0.259 295 E C 0.707 177.323 176.600 0.026 0.000 1.117 295 E CA 0.270 56.678 56.400 0.015 0.000 0.913 295 E CB 0.335 30.019 29.700 -0.026 0.000 1.057 295 E HN 0.479 nan 8.360 nan 0.000 0.432 296 T N -3.457 111.177 114.554 0.133 0.000 3.043 296 T HA 0.034 4.383 4.350 -0.002 0.000 0.272 296 T C 0.191 174.880 174.700 -0.018 0.000 0.990 296 T CA -0.509 61.650 62.100 0.098 0.000 0.897 296 T CB 0.080 69.048 68.868 0.168 0.000 1.111 296 T HN 0.381 nan 8.240 nan 0.000 0.529 297 D N 2.411 122.654 120.400 -0.263 0.000 2.348 297 D HA 0.289 4.928 4.640 -0.002 0.000 0.249 297 D C 0.342 176.473 176.300 -0.283 0.000 1.110 297 D CA -0.382 53.311 54.000 -0.511 0.000 0.967 297 D CB 1.164 41.276 40.800 -1.147 0.000 1.139 297 D HN 0.276 nan 8.370 nan 0.000 0.466 298 S N -0.373 115.185 115.700 -0.238 0.000 2.561 298 S HA -0.139 4.330 4.470 -0.002 0.000 0.294 298 S C 1.165 175.692 174.600 -0.122 0.000 1.294 298 S CA 0.015 58.130 58.200 -0.142 0.000 1.055 298 S CB 0.835 63.962 63.200 -0.123 0.000 0.819 298 S HN 0.651 nan 8.310 nan 0.000 0.503 299 Q N 3.079 122.842 119.800 -0.062 0.000 2.112 299 Q HA -0.206 4.133 4.340 -0.002 0.000 0.206 299 Q C 2.288 178.258 176.000 -0.050 0.000 0.987 299 Q CA 1.794 57.579 55.803 -0.030 0.000 0.858 299 Q CB -0.821 27.917 28.738 -0.001 0.000 0.905 299 Q HN 1.015 nan 8.270 nan 0.000 0.420 300 A N 1.306 124.093 122.820 -0.055 0.000 1.903 300 A HA -0.282 4.037 4.320 -0.002 0.000 0.219 300 A C 1.768 179.305 177.584 -0.078 0.000 1.191 300 A CA 2.050 54.055 52.037 -0.054 0.000 0.638 300 A CB -0.911 18.059 19.000 -0.050 0.000 0.823 300 A HN 0.531 nan 8.150 nan 0.000 0.451 301 D N 0.066 120.391 120.400 -0.124 0.000 2.123 301 D HA -0.137 4.502 4.640 -0.002 0.000 0.196 301 D C 1.444 177.624 176.300 -0.200 0.000 0.992 301 D CA 1.462 55.358 54.000 -0.174 0.000 0.833 301 D CB -0.418 40.214 40.800 -0.281 0.000 0.954 301 D HN 0.451 nan 8.370 nan 0.000 0.455 302 D N 0.472 120.753 120.400 -0.198 0.000 2.117 302 D HA -0.099 4.540 4.640 -0.002 0.000 0.197 302 D C 2.312 178.540 176.300 -0.119 0.000 0.987 302 D CA 0.470 54.344 54.000 -0.211 0.000 0.829 302 D CB -0.201 40.544 40.800 -0.092 0.000 0.961 302 D HN 0.317 nan 8.370 nan 0.000 0.460 303 I N 0.908 121.447 120.570 -0.052 0.000 2.493 303 I HA -0.171 3.998 4.170 -0.002 0.000 0.254 303 I C 2.469 178.582 176.117 -0.007 0.000 1.160 303 I CA 0.769 62.064 61.300 -0.008 0.000 1.445 303 I CB -0.134 37.865 38.000 -0.002 0.000 1.086 303 I HN -0.028 nan 8.210 nan 0.000 0.433 304 E N 2.192 122.373 120.200 -0.032 0.000 2.008 304 E HA -0.217 4.132 4.350 -0.002 0.000 0.191 304 E C 2.150 178.758 176.600 0.012 0.000 0.986 304 E CA 1.432 57.825 56.400 -0.011 0.000 0.807 304 E CB 0.014 29.700 29.700 -0.023 0.000 0.766 304 E HN 0.553 nan 8.360 nan 0.000 0.450 305 K N -0.621 119.762 120.400 -0.028 0.000 2.209 305 K HA -0.045 4.273 4.320 -0.002 0.000 0.204 305 K C 1.143 177.832 176.600 0.149 0.000 1.048 305 K CA 1.157 57.472 56.287 0.047 0.000 0.940 305 K CB -0.291 32.155 32.500 -0.090 0.000 0.729 305 K HN 0.209 nan 8.250 nan 0.000 0.451 306 G N 2.012 110.838 108.800 0.044 0.000 2.248 306 G HA2 -0.188 3.771 3.960 -0.002 0.000 0.263 306 G HA3 -0.188 3.771 3.960 -0.002 0.000 0.263 306 G C -0.510 174.574 174.900 0.307 0.000 1.082 306 G CA 0.175 45.366 45.100 0.151 0.000 0.863 306 G HN 0.563 nan 8.290 nan 0.000 0.495 307 W N -2.429 118.919 121.300 0.081 0.000 3.524 307 W HA 0.686 5.345 4.660 -0.002 0.000 0.287 307 W C -0.831 175.746 176.519 0.096 0.000 1.247 307 W CA -1.308 56.086 57.345 0.082 0.000 1.197 307 W CB 0.525 29.993 29.460 0.013 0.000 1.323 307 W HN 1.341 nan 8.180 nan 0.000 0.567 308 A N 1.988 124.977 122.820 0.280 0.000 2.549 308 A HA 0.922 5.241 4.320 -0.002 0.000 0.297 308 A C 0.078 177.725 177.584 0.105 0.000 1.061 308 A CA -0.082 52.012 52.037 0.095 0.000 0.690 308 A CB 1.024 20.144 19.000 0.199 0.000 1.287 308 A HN 2.584 nan 8.150 nan 0.000 0.402 309 G N -0.398 108.476 108.800 0.123 0.000 2.895 309 G HA2 0.306 4.265 3.960 -0.002 0.000 0.686 309 G HA3 0.306 4.265 3.960 -0.002 0.000 0.686 309 G C -1.128 173.899 174.900 0.211 0.000 1.108 309 G CA -0.235 44.977 45.100 0.187 0.000 0.761 309 G HN 1.337 nan 8.290 nan 0.000 0.611 310 L N 1.730 123.087 121.223 0.225 0.000 2.376 310 L HA 0.620 4.959 4.340 -0.002 0.000 0.258 310 L C -0.194 176.806 176.870 0.216 0.000 1.013 310 L CA -1.262 53.664 54.840 0.145 0.000 0.822 310 L CB 2.194 44.314 42.059 0.103 0.000 1.388 310 L HN 0.555 nan 8.230 nan 0.000 0.413 311 Q N 0.898 120.831 119.800 0.222 0.000 2.235 311 Q HA 0.381 4.720 4.340 -0.002 0.000 0.256 311 Q C -0.257 175.941 176.000 0.331 0.000 0.951 311 Q CA -0.365 55.599 55.803 0.268 0.000 0.890 311 Q CB 2.180 31.036 28.738 0.197 0.000 1.279 311 Q HN 0.752 nan 8.270 nan 0.000 0.444 312 S N 1.167 117.030 115.700 0.273 0.000 2.587 312 S HA 0.229 4.698 4.470 -0.002 0.000 0.260 312 S C 0.016 174.828 174.600 0.354 0.000 1.353 312 S CA -0.517 57.890 58.200 0.344 0.000 0.995 312 S CB 0.281 63.639 63.200 0.263 0.000 0.912 312 S HN 0.465 nan 8.310 nan 0.000 0.568 313 F N 3.316 123.391 119.950 0.208 0.000 2.456 313 F HA 0.393 4.919 4.527 -0.002 0.000 0.358 313 F C -1.931 173.768 175.800 -0.169 0.000 1.095 313 F CA -2.317 55.648 58.000 -0.059 0.000 1.216 313 F CB 0.571 39.470 39.000 -0.168 0.000 1.125 313 F HN 0.415 nan 8.300 nan 0.000 0.549 314 P HA -0.053 nan 4.420 nan 0.000 0.260 314 P C -1.271 175.799 177.300 -0.383 0.000 1.172 314 P CA 0.501 63.051 63.100 -0.917 0.000 0.760 314 P CB 0.262 31.078 31.700 -1.472 0.000 0.773 315 R N 2.218 122.573 120.500 -0.242 0.000 2.711 315 R HA 0.731 5.070 4.340 -0.002 0.000 0.284 315 R C -0.171 176.047 176.300 -0.136 0.000 0.968 315 R CA -1.163 54.880 56.100 -0.095 0.000 0.924 315 R CB 1.653 31.977 30.300 0.039 0.000 1.162 315 R HN 0.414 nan 8.270 nan 0.000 0.465 316 A N 2.447 125.253 122.820 -0.024 0.000 2.331 316 A HA 0.430 4.749 4.320 -0.002 0.000 0.283 316 A C -0.717 176.896 177.584 0.047 0.000 1.142 316 A CA -0.479 51.587 52.037 0.047 0.000 0.812 316 A CB 0.505 19.648 19.000 0.239 0.000 1.074 316 A HN 0.520 nan 8.150 nan 0.000 0.497 317 L N 2.813 124.046 121.223 0.018 0.000 2.334 317 L HA 0.927 5.266 4.340 -0.002 0.000 0.276 317 L C -0.984 175.999 176.870 0.189 0.000 1.014 317 L CA -0.062 54.738 54.840 -0.066 0.000 0.815 317 L CB 1.413 43.353 42.059 -0.198 0.000 1.268 317 L HN 0.919 nan 8.230 nan 0.000 0.428 318 W N 4.054 125.345 121.300 -0.015 0.000 3.298 318 W HA 0.470 5.130 4.660 -0.001 0.000 0.302 318 W C -2.010 174.530 176.519 0.036 0.000 1.255 318 W CA -1.151 56.200 57.345 0.009 0.000 1.196 318 W CB -0.059 29.399 29.460 -0.003 0.000 1.364 318 W HN 0.665 nan 8.180 nan 0.000 0.566 319 I N 3.043 123.791 120.570 0.296 0.000 2.638 319 I HA 0.161 4.330 4.170 -0.002 0.000 0.286 319 I C 0.619 176.910 176.117 0.291 0.000 1.088 319 I CA 0.151 61.570 61.300 0.197 0.000 1.397 319 I CB 0.676 38.776 38.000 0.166 0.000 1.414 319 I HN 0.656 nan 8.210 nan 0.000 0.566 320 D N 4.049 124.559 120.400 0.184 0.000 2.354 320 D HA 0.025 4.664 4.640 -0.002 0.000 0.238 320 D C 1.178 177.586 176.300 0.181 0.000 1.250 320 D CA 0.164 54.283 54.000 0.198 0.000 0.911 320 D CB 0.844 41.723 40.800 0.133 0.000 1.163 320 D HN 0.460 nan 8.370 nan 0.000 0.456 321 R N 0.510 121.104 120.500 0.155 0.000 2.091 321 R HA -0.160 4.179 4.340 -0.002 0.000 0.238 321 R C 1.546 177.897 176.300 0.086 0.000 1.136 321 R CA 1.821 57.984 56.100 0.105 0.000 0.959 321 R CB -0.792 29.556 30.300 0.080 0.000 0.856 321 R HN 0.533 nan 8.270 nan 0.000 0.437 322 N N -0.049 118.703 118.700 0.088 0.000 2.467 322 N HA 0.040 4.779 4.740 -0.002 0.000 0.184 322 N C 0.899 176.459 175.510 0.083 0.000 1.106 322 N CA 0.715 53.811 53.050 0.076 0.000 0.892 322 N CB 0.204 38.734 38.487 0.072 0.000 0.969 322 N HN 0.314 nan 8.380 nan 0.000 0.454 323 G N 0.293 109.153 108.800 0.100 0.000 2.249 323 G HA2 -0.328 3.631 3.960 -0.002 0.000 0.273 323 G HA3 -0.328 3.631 3.960 -0.002 0.000 0.273 323 G C 0.557 175.524 174.900 0.111 0.000 1.036 323 G CA 0.754 45.918 45.100 0.106 0.000 0.824 323 G HN 0.521 nan 8.290 nan 0.000 0.504 324 K N -0.888 119.582 120.400 0.117 0.000 2.412 324 K HA 0.149 4.468 4.320 -0.002 0.000 0.202 324 K C 1.049 177.746 176.600 0.161 0.000 1.102 324 K CA 0.940 57.300 56.287 0.121 0.000 1.027 324 K CB 0.760 33.318 32.500 0.096 0.000 0.931 324 K HN 0.821 nan 8.250 nan 0.000 0.557 325 Q N -0.140 119.768 119.800 0.180 0.000 2.590 325 Q HA 0.464 4.803 4.340 -0.002 0.000 0.295 325 Q C -1.416 174.709 176.000 0.208 0.000 0.973 325 Q CA -1.052 54.901 55.803 0.251 0.000 0.768 325 Q CB 1.095 29.962 28.738 0.216 0.000 1.479 325 Q HN -0.200 nan 8.270 nan 0.000 0.419 326 L N 1.090 122.455 121.223 0.237 0.000 2.344 326 L HA 0.546 4.885 4.340 -0.002 0.000 0.272 326 L C -0.627 176.192 176.870 -0.087 0.000 1.035 326 L CA -0.720 54.129 54.840 0.015 0.000 0.807 326 L CB 1.643 43.609 42.059 -0.154 0.000 1.237 326 L HN 0.636 nan 8.230 nan 0.000 0.442 327 I N 1.452 121.790 120.570 -0.386 0.000 2.603 327 I HA 0.506 4.675 4.170 -0.002 0.000 0.300 327 I C -0.329 175.339 176.117 -0.747 0.000 1.017 327 I CA -0.654 60.284 61.300 -0.604 0.000 1.098 327 I CB 1.751 39.115 38.000 -1.060 0.000 1.279 327 I HN 0.599 nan 8.210 nan 0.000 0.437 328 Q N 4.253 123.798 119.800 -0.426 0.000 2.421 328 Q HA 0.545 4.884 4.340 -0.002 0.000 0.280 328 Q C -1.626 174.400 176.000 0.044 0.000 1.085 328 Q CA -0.802 54.860 55.803 -0.235 0.000 0.807 328 Q CB 3.511 32.224 28.738 -0.042 0.000 1.405 328 Q HN 0.669 nan 8.270 nan 0.000 0.419 329 W N 2.876 124.033 121.300 -0.239 0.000 3.800 329 W HA 0.237 4.896 4.660 -0.001 0.000 0.299 329 W C -3.021 173.349 176.519 -0.248 0.000 1.231 329 W CA -1.634 55.531 57.345 -0.300 0.000 1.232 329 W CB 1.746 31.168 29.460 -0.063 0.000 1.291 329 W HN 0.452 nan 8.180 nan 0.000 0.514 330 P HA -0.033 nan 4.420 nan 0.000 0.264 330 P C 0.241 177.454 177.300 -0.146 0.000 1.183 330 P CA 0.489 63.363 63.100 -0.378 0.000 0.763 330 P CB 0.695 31.997 31.700 -0.664 0.000 0.807 331 V N 1.452 121.382 119.914 0.027 0.000 2.788 331 V HA -0.073 4.046 4.120 -0.002 0.000 0.307 331 V C 1.852 177.943 176.094 -0.004 0.000 1.069 331 V CA 0.128 62.433 62.300 0.008 0.000 1.173 331 V CB -0.597 31.174 31.823 -0.086 0.000 0.925 331 V HN 0.720 nan 8.190 nan 0.000 0.492 332 E N 1.710 121.901 120.200 -0.015 0.000 2.187 332 E HA -0.319 4.030 4.350 -0.002 0.000 0.199 332 E C 1.463 178.011 176.600 -0.088 0.000 1.004 332 E CA 1.864 58.232 56.400 -0.053 0.000 0.813 332 E CB -0.300 29.374 29.700 -0.044 0.000 0.736 332 E HN 0.878 nan 8.360 nan 0.000 0.468 333 E N 0.954 121.114 120.200 -0.066 0.000 2.219 333 E HA -0.147 4.202 4.350 -0.002 0.000 0.198 333 E C 1.879 178.435 176.600 -0.074 0.000 0.998 333 E CA 0.956 57.313 56.400 -0.071 0.000 0.818 333 E CB -0.268 29.383 29.700 -0.082 0.000 0.741 333 E HN 0.453 nan 8.360 nan 0.000 0.477 334 I N 0.652 121.183 120.570 -0.065 0.000 2.361 334 I HA -0.302 3.867 4.170 -0.002 0.000 0.251 334 I C 1.736 177.639 176.117 -0.356 0.000 1.133 334 I CA 1.267 62.416 61.300 -0.252 0.000 1.413 334 I CB 0.045 37.632 38.000 -0.687 0.000 1.073 334 I HN 0.131 nan 8.210 nan 0.000 0.424 335 E N 0.464 120.472 120.200 -0.320 0.000 2.130 335 E HA -0.265 4.084 4.350 -0.002 0.000 0.196 335 E C 1.749 178.153 176.600 -0.327 0.000 0.998 335 E CA 1.188 57.362 56.400 -0.378 0.000 0.806 335 E CB -0.052 29.457 29.700 -0.318 0.000 0.738 335 E HN 0.442 nan 8.360 nan 0.000 0.459 336 E N 0.195 120.259 120.200 -0.227 0.000 2.463 336 E HA -0.140 4.209 4.350 -0.002 0.000 0.201 336 E C 1.775 178.273 176.600 -0.169 0.000 1.045 336 E CA 0.576 56.871 56.400 -0.175 0.000 0.872 336 E CB 0.014 29.640 29.700 -0.124 0.000 0.797 336 E HN 0.392 nan 8.360 nan 0.000 0.538 337 L N 0.006 121.099 121.223 -0.217 0.000 2.446 337 L HA 0.040 4.379 4.340 -0.002 0.000 0.219 337 L C 0.877 177.642 176.870 -0.174 0.000 1.116 337 L CA 0.079 54.809 54.840 -0.184 0.000 0.844 337 L CB 0.100 42.011 42.059 -0.246 0.000 0.970 337 L HN -0.144 nan 8.230 nan 0.000 0.457 338 R N 0.529 120.874 120.500 -0.258 0.000 2.484 338 R HA -0.005 4.334 4.340 -0.002 0.000 0.293 338 R C 0.459 176.719 176.300 -0.068 0.000 1.023 338 R CA -0.099 55.861 56.100 -0.233 0.000 1.037 338 R CB 0.653 30.569 30.300 -0.640 0.000 0.951 338 R HN 0.165 nan 8.270 nan 0.000 0.418 339 Q N 1.867 121.704 119.800 0.060 0.000 2.875 339 Q HA 0.089 4.428 4.340 -0.002 0.000 0.285 339 Q C 0.352 176.453 176.000 0.168 0.000 1.123 339 Q CA 0.297 56.151 55.803 0.085 0.000 0.476 339 Q CB -0.195 28.583 28.738 0.066 0.000 4.981 339 Q HN 0.673 nan 8.270 nan 0.000 0.362 340 N N 0.892 119.679 118.700 0.145 0.000 2.463 340 N HA 0.093 4.832 4.740 -0.002 0.000 0.270 340 N C -0.560 175.019 175.510 0.115 0.000 1.205 340 N CA -0.084 53.038 53.050 0.120 0.000 0.974 340 N CB 1.860 40.379 38.487 0.053 0.000 1.197 340 N HN 0.232 nan 8.380 nan 0.000 0.504 341 Q N -0.221 119.567 119.800 -0.020 0.000 2.458 341 Q HA 0.618 4.957 4.340 -0.002 0.000 0.282 341 Q C -1.825 174.035 176.000 -0.233 0.000 1.106 341 Q CA -0.950 54.679 55.803 -0.289 0.000 0.814 341 Q CB 2.013 30.456 28.738 -0.492 0.000 1.425 341 Q HN 0.493 nan 8.270 nan 0.000 0.437 342 V N 2.748 122.474 119.914 -0.313 0.000 2.612 342 V HA 0.408 4.527 4.120 -0.002 0.000 0.301 342 V C -0.680 175.271 176.094 -0.239 0.000 1.059 342 V CA -0.955 61.226 62.300 -0.199 0.000 0.886 342 V CB 1.787 33.535 31.823 -0.126 0.000 1.007 342 V HN 0.741 nan 8.190 nan 0.000 0.426 343 N N 3.094 121.685 118.700 -0.182 0.000 2.518 343 N HA 0.853 5.592 4.740 -0.002 0.000 0.284 343 N C -1.344 174.103 175.510 -0.105 0.000 1.230 343 N CA -0.452 52.498 53.050 -0.168 0.000 0.941 343 N CB 2.160 40.556 38.487 -0.151 0.000 1.219 343 N HN 0.580 nan 8.380 nan 0.000 0.560 344 L N 0.945 122.112 121.223 -0.094 0.000 2.592 344 L HA 0.333 4.672 4.340 -0.002 0.000 0.258 344 L C -1.177 175.654 176.870 -0.064 0.000 0.926 344 L CA -0.524 54.278 54.840 -0.063 0.000 0.885 344 L CB 2.392 44.420 42.059 -0.051 0.000 1.380 344 L HN 0.384 nan 8.230 nan 0.000 0.415 345 Q N 1.844 121.615 119.800 -0.048 0.000 2.340 345 Q HA 0.302 4.641 4.340 -0.002 0.000 0.276 345 Q C -0.826 175.154 176.000 -0.034 0.000 1.048 345 Q CA -1.025 54.751 55.803 -0.046 0.000 0.832 345 Q CB 2.565 31.277 28.738 -0.043 0.000 1.373 345 Q HN 0.613 nan 8.270 nan 0.000 0.409 346 N N 1.871 120.551 118.700 -0.034 0.000 2.671 346 N HA -0.210 4.529 4.740 -0.002 0.000 0.261 346 N C -1.683 173.817 175.510 -0.018 0.000 1.053 346 N CA 0.818 53.852 53.050 -0.026 0.000 0.732 346 N CB -0.253 38.221 38.487 -0.023 0.000 0.887 346 N HN 0.417 nan 8.380 nan 0.000 0.546 347 K N 1.308 121.699 120.400 -0.014 0.000 2.502 347 K HA 0.422 4.741 4.320 -0.002 0.000 0.254 347 K C -0.908 175.697 176.600 0.008 0.000 0.947 347 K CA -0.784 55.502 56.287 -0.000 0.000 0.834 347 K CB 0.517 33.021 32.500 0.007 0.000 1.112 347 K HN 0.213 nan 8.250 nan 0.000 0.427 348 N N 4.300 123.002 118.700 0.004 0.000 2.530 348 N HA 0.201 4.940 4.740 -0.002 0.000 0.273 348 N C -0.648 174.870 175.510 0.013 0.000 1.173 348 N CA -0.072 52.977 53.050 -0.001 0.000 0.967 348 N CB 0.845 39.325 38.487 -0.011 0.000 1.109 348 N HN 0.511 nan 8.380 nan 0.000 0.453 349 L N 2.890 124.117 121.223 0.008 0.000 2.335 349 L HA 0.240 4.579 4.340 -0.002 0.000 0.268 349 L C 0.655 177.523 176.870 -0.004 0.000 1.037 349 L CA -0.826 54.027 54.840 0.022 0.000 0.895 349 L CB 0.418 42.505 42.059 0.045 0.000 1.266 349 L HN 0.349 nan 8.230 nan 0.000 0.439 350 K N 1.761 122.163 120.400 0.003 0.000 2.469 350 K HA 0.185 4.504 4.320 -0.002 0.000 0.274 350 K C -2.479 174.120 176.600 -0.002 0.000 0.983 350 K CA -1.669 54.615 56.287 -0.005 0.000 0.974 350 K CB -0.373 32.127 32.500 -0.000 0.000 0.913 350 K HN 0.105 nan 8.250 nan 0.000 0.493 351 P HA -0.131 nan 4.420 nan 0.000 0.257 351 P C 0.382 177.685 177.300 0.005 0.000 1.153 351 P CA 1.694 64.790 63.100 -0.006 0.000 0.762 351 P CB 0.126 31.819 31.700 -0.011 0.000 0.743 352 G N 2.136 110.946 108.800 0.017 0.000 2.246 352 G HA2 -0.184 3.775 3.960 -0.002 0.000 0.273 352 G HA3 -0.184 3.775 3.960 -0.002 0.000 0.273 352 G C 0.221 175.137 174.900 0.026 0.000 1.055 352 G CA 0.216 45.328 45.100 0.021 0.000 0.851 352 G HN 0.740 nan 8.290 nan 0.000 0.500 353 S N -1.918 113.813 115.700 0.051 0.000 2.718 353 S HA 0.859 5.328 4.470 -0.002 0.000 0.300 353 S C -0.416 174.240 174.600 0.093 0.000 1.117 353 S CA -0.577 57.654 58.200 0.052 0.000 1.002 353 S CB 3.247 66.477 63.200 0.050 0.000 1.092 353 S HN 1.106 nan 8.310 nan 0.000 0.542 354 V N 1.823 121.776 119.914 0.065 0.000 2.509 354 V HA 0.436 4.555 4.120 -0.002 0.000 0.289 354 V C -1.328 174.841 176.094 0.124 0.000 1.026 354 V CA -0.540 61.804 62.300 0.073 0.000 0.872 354 V CB 1.213 32.958 31.823 -0.130 0.000 1.017 354 V HN 0.865 nan 8.190 nan 0.000 0.436 355 L N 4.376 125.728 121.223 0.215 0.000 2.296 355 L HA 0.634 4.973 4.340 -0.002 0.000 0.286 355 L C 0.085 177.150 176.870 0.324 0.000 1.023 355 L CA 0.015 54.989 54.840 0.224 0.000 0.812 355 L CB 1.534 43.693 42.059 0.166 0.000 1.223 355 L HN 0.826 nan 8.230 nan 0.000 0.421 356 E N 5.010 125.390 120.200 0.300 0.000 2.283 356 E HA 0.315 4.664 4.350 -0.002 0.000 0.278 356 E C -0.901 175.603 176.600 -0.161 0.000 1.027 356 E CA -0.756 55.684 56.400 0.066 0.000 0.843 356 E CB 0.871 30.498 29.700 -0.121 0.000 1.062 356 E HN 0.548 nan 8.360 nan 0.000 0.401 357 I N 5.045 125.466 120.570 -0.248 0.000 2.371 357 I HA 0.150 4.319 4.170 -0.002 0.000 0.290 357 I C 0.329 176.277 176.117 -0.282 0.000 1.028 357 I CA -0.195 61.005 61.300 -0.166 0.000 1.345 357 I CB 0.285 38.214 38.000 -0.117 0.000 1.407 357 I HN 0.593 nan 8.210 nan 0.000 0.501 358 H N 3.593 122.632 119.070 -0.053 0.000 2.502 358 H HA 0.391 4.946 4.556 -0.002 0.000 0.338 358 H C 1.121 176.418 175.328 -0.051 0.000 1.155 358 H CA 0.481 56.501 56.048 -0.047 0.000 1.237 358 H CB 2.035 31.784 29.762 -0.022 0.000 1.534 358 H HN 0.851 nan 8.280 nan 0.000 0.523 359 G N 1.867 110.717 108.800 0.084 0.000 2.205 359 G HA2 -0.246 3.713 3.960 -0.002 0.000 0.261 359 G HA3 -0.246 3.713 3.960 -0.002 0.000 0.261 359 G C 0.384 175.280 174.900 -0.007 0.000 0.980 359 G CA 0.027 45.145 45.100 0.030 0.000 0.632 359 G HN 0.437 nan 8.290 nan 0.000 0.533 360 I N 1.180 121.730 120.570 -0.033 0.000 2.834 360 I HA 0.522 4.691 4.170 -0.002 0.000 0.305 360 I C 1.574 177.667 176.117 -0.040 0.000 1.008 360 I CA 0.270 61.551 61.300 -0.032 0.000 1.273 360 I CB 1.285 39.259 38.000 -0.043 0.000 1.432 360 I HN 0.277 nan 8.210 nan 0.000 0.557 361 A N 3.862 126.674 122.820 -0.014 0.000 2.728 361 A HA 0.342 4.661 4.320 -0.002 0.000 0.258 361 A C 1.799 179.358 177.584 -0.040 0.000 1.454 361 A CA 0.504 52.532 52.037 -0.016 0.000 1.146 361 A CB -0.926 18.087 19.000 0.022 0.000 0.985 361 A HN 0.955 nan 8.150 nan 0.000 0.603 362 A N -0.016 122.761 122.820 -0.072 0.000 1.993 362 A HA -0.357 3.962 4.320 -0.002 0.000 0.250 362 A C 2.274 179.820 177.584 -0.064 0.000 2.188 362 A CA 2.644 54.631 52.037 -0.083 0.000 0.760 362 A CB -1.141 17.767 19.000 -0.154 0.000 0.825 362 A HN 0.910 nan 8.150 nan 0.000 0.576 363 S N -2.191 113.450 115.700 -0.099 0.000 2.575 363 S HA 0.205 4.674 4.470 -0.002 0.000 0.215 363 S C 0.658 175.044 174.600 -0.356 0.000 0.966 363 S CA 0.791 58.865 58.200 -0.211 0.000 0.911 363 S CB -0.112 62.946 63.200 -0.235 0.000 0.780 363 S HN 0.684 nan 8.310 nan 0.000 0.514 364 Q N 0.474 120.189 119.800 -0.141 0.000 3.660 364 Q HA 0.586 4.925 4.340 -0.002 0.000 0.194 364 Q C -1.180 174.905 176.000 0.142 0.000 0.872 364 Q CA -0.319 55.482 55.803 -0.002 0.000 0.756 364 Q CB 0.822 29.585 28.738 0.042 0.000 1.443 364 Q HN 0.355 nan 8.270 nan 0.000 0.460 365 A N 1.678 124.597 122.820 0.165 0.000 2.567 365 A HA 0.735 5.054 4.320 -0.002 0.000 0.289 365 A C -1.857 175.811 177.584 0.140 0.000 1.177 365 A CA -0.612 51.510 52.037 0.142 0.000 0.694 365 A CB 1.979 21.032 19.000 0.089 0.000 1.292 365 A HN 0.464 nan 8.150 nan 0.000 0.425 366 D N 0.307 120.778 120.400 0.117 0.000 2.481 366 D HA 0.539 5.178 4.640 -0.002 0.000 0.246 366 D C -1.489 174.917 176.300 0.176 0.000 1.109 366 D CA 0.007 54.064 54.000 0.095 0.000 0.845 366 D CB 1.520 42.319 40.800 -0.001 0.000 1.160 366 D HN 0.312 nan 8.370 nan 0.000 0.534 367 V N 3.451 123.444 119.914 0.132 0.000 2.444 367 V HA 0.496 4.615 4.120 -0.002 0.000 0.294 367 V C 0.277 176.445 176.094 0.124 0.000 1.022 367 V CA -0.697 61.672 62.300 0.115 0.000 0.850 367 V CB 1.710 33.583 31.823 0.083 0.000 0.992 367 V HN 0.542 nan 8.190 nan 0.000 0.426 368 T N 6.280 120.905 114.554 0.119 0.000 2.824 368 T HA 0.779 5.128 4.350 -0.002 0.000 0.280 368 T C -0.495 174.227 174.700 0.037 0.000 0.995 368 T CA -0.284 61.893 62.100 0.128 0.000 1.009 368 T CB 1.773 70.749 68.868 0.181 0.000 0.955 368 T HN 0.625 nan 8.240 nan 0.000 0.452 369 I N 1.249 121.829 120.570 0.016 0.000 2.752 369 I HA 0.617 4.786 4.170 -0.002 0.000 0.295 369 I C -1.298 174.681 176.117 -0.230 0.000 1.219 369 I CA -0.431 60.779 61.300 -0.150 0.000 1.030 369 I CB 2.070 39.947 38.000 -0.204 0.000 1.259 369 I HN 0.628 nan 8.210 nan 0.000 0.423 370 S N 6.107 121.594 115.700 -0.356 0.000 2.647 370 S HA 0.657 5.126 4.470 -0.002 0.000 0.300 370 S C -1.234 173.138 174.600 -0.380 0.000 1.129 370 S CA -0.385 57.653 58.200 -0.271 0.000 1.029 370 S CB 0.648 63.787 63.200 -0.100 0.000 1.007 370 S HN 0.382 nan 8.310 nan 0.000 0.484 371 F N 3.125 123.082 119.950 0.011 0.000 2.399 371 F HA 0.527 5.053 4.527 -0.002 0.000 0.334 371 F C 0.655 176.385 175.800 -0.116 0.000 1.097 371 F CA -0.704 57.248 58.000 -0.080 0.000 1.076 371 F CB 1.184 40.106 39.000 -0.130 0.000 1.162 371 F HN 0.391 nan 8.300 nan 0.000 0.495 372 K N 4.237 124.665 120.400 0.047 0.000 2.389 372 K HA 0.498 4.817 4.320 -0.002 0.000 0.261 372 K C -1.340 175.214 176.600 -0.077 0.000 1.014 372 K CA -0.361 55.912 56.287 -0.023 0.000 0.920 372 K CB 0.609 33.090 32.500 -0.032 0.000 1.149 372 K HN 0.666 nan 8.250 nan 0.000 0.444 373 L N 4.117 125.280 121.223 -0.099 0.000 2.350 373 L HA 0.325 4.664 4.340 -0.002 0.000 0.275 373 L C -0.290 176.512 176.870 -0.113 0.000 1.099 373 L CA -0.378 54.376 54.840 -0.144 0.000 0.808 373 L CB 1.208 43.176 42.059 -0.151 0.000 1.149 373 L HN 0.713 nan 8.230 nan 0.000 0.442 374 E N 0.994 121.127 120.200 -0.111 0.000 2.278 374 E HA 0.603 4.952 4.350 -0.002 0.000 0.272 374 E C -0.220 176.336 176.600 -0.073 0.000 0.890 374 E CA -0.770 55.582 56.400 -0.081 0.000 0.770 374 E CB 1.875 31.537 29.700 -0.064 0.000 1.212 374 E HN 0.692 nan 8.360 nan 0.000 0.415 375 G N 2.636 111.402 108.800 -0.057 0.000 2.638 375 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.269 375 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.269 375 G C 0.219 175.097 174.900 -0.035 0.000 1.141 375 G CA 0.110 45.190 45.100 -0.034 0.000 1.081 375 G HN 0.505 nan 8.290 nan 0.000 0.527 376 L N 0.084 121.276 121.223 -0.053 0.000 2.179 376 L HA -0.026 4.313 4.340 -0.002 0.000 0.208 376 L C 2.988 179.932 176.870 0.124 0.000 1.096 376 L CA 1.759 56.554 54.840 -0.074 0.000 0.779 376 L CB -0.383 41.459 42.059 -0.362 0.000 0.922 376 L HN 0.692 nan 8.230 nan 0.000 0.443 377 K N -0.074 120.411 120.400 0.141 0.000 2.304 377 K HA -0.216 4.103 4.320 -0.002 0.000 0.204 377 K C 1.243 177.917 176.600 0.124 0.000 1.044 377 K CA 1.446 57.830 56.287 0.162 0.000 0.932 377 K CB -0.211 32.347 32.500 0.096 0.000 0.735 377 K HN 0.231 nan 8.250 nan 0.000 0.468 378 E N 0.775 121.027 120.200 0.087 0.000 2.502 378 E HA 0.117 4.466 4.350 -0.002 0.000 0.194 378 E C 0.360 177.006 176.600 0.077 0.000 1.062 378 E CA 0.469 56.907 56.400 0.064 0.000 0.867 378 E CB 0.068 29.786 29.700 0.031 0.000 0.888 378 E HN 0.476 nan 8.360 nan 0.000 0.510 379 A N 1.596 124.491 122.820 0.126 0.000 2.561 379 A HA -0.054 4.265 4.320 -0.002 0.000 0.234 379 A C 0.447 178.109 177.584 0.131 0.000 1.055 379 A CA 0.066 52.183 52.037 0.132 0.000 0.756 379 A CB 0.076 19.241 19.000 0.274 0.000 0.986 379 A HN 0.065 nan 8.150 nan 0.000 0.505 380 E N 0.017 120.285 120.200 0.114 0.000 2.442 380 E HA 0.270 4.619 4.350 -0.002 0.000 0.260 380 E C -0.639 176.113 176.600 0.254 0.000 1.148 380 E CA 0.094 56.606 56.400 0.186 0.000 0.976 380 E CB 0.485 30.338 29.700 0.255 0.000 0.967 380 E HN 0.390 nan 8.360 nan 0.000 0.454 381 V N 3.194 123.229 119.914 0.201 0.000 2.311 381 V HA 0.332 4.451 4.120 -0.002 0.000 0.275 381 V C -0.749 175.419 176.094 0.122 0.000 1.022 381 V CA -0.576 61.810 62.300 0.145 0.000 0.830 381 V CB 0.645 32.514 31.823 0.077 0.000 1.012 381 V HN 0.339 nan 8.190 nan 0.000 0.452 382 L N 4.267 125.551 121.223 0.101 0.000 2.680 382 L HA 0.531 4.870 4.340 -0.002 0.000 0.260 382 L C -0.702 176.119 176.870 -0.083 0.000 0.975 382 L CA -0.200 54.614 54.840 -0.044 0.000 0.920 382 L CB 1.638 43.549 42.059 -0.246 0.000 1.234 382 L HN 0.675 nan 8.230 nan 0.000 0.429 383 D N 1.806 122.166 120.400 -0.067 0.000 2.458 383 D HA 0.239 4.878 4.640 -0.002 0.000 0.243 383 D C 0.864 177.087 176.300 -0.128 0.000 1.146 383 D CA 1.121 55.073 54.000 -0.080 0.000 0.877 383 D CB 1.136 41.898 40.800 -0.064 0.000 1.176 383 D HN 0.673 nan 8.370 nan 0.000 0.461 384 T N -0.635 113.814 114.554 -0.174 0.000 3.174 384 T HA 0.076 4.425 4.350 -0.002 0.000 0.269 384 T C 1.525 176.045 174.700 -0.299 0.000 1.017 384 T CA -0.385 61.551 62.100 -0.275 0.000 0.899 384 T CB 0.164 68.736 68.868 -0.493 0.000 1.077 384 T HN 0.305 nan 8.240 nan 0.000 0.552 385 T N 2.536 116.977 114.554 -0.188 0.000 2.737 385 T HA 0.019 4.368 4.350 -0.002 0.000 0.269 385 T C 1.315 175.942 174.700 -0.120 0.000 1.040 385 T CA 1.222 63.232 62.100 -0.151 0.000 1.142 385 T CB -0.216 68.596 68.868 -0.093 0.000 0.861 385 T HN 0.408 nan 8.240 nan 0.000 0.456 386 L N 0.330 121.499 121.223 -0.090 0.000 2.858 386 L HA 0.275 4.614 4.340 -0.002 0.000 0.251 386 L C -0.059 176.804 176.870 -0.013 0.000 1.149 386 L CA -0.229 54.585 54.840 -0.043 0.000 0.955 386 L CB 0.708 42.752 42.059 -0.025 0.000 1.289 386 L HN 0.012 nan 8.230 nan 0.000 0.542 387 V N 1.030 120.931 119.914 -0.021 0.000 2.585 387 V HA -0.058 4.061 4.120 -0.002 0.000 0.296 387 V C 0.045 176.242 176.094 0.170 0.000 1.035 387 V CA -0.003 62.333 62.300 0.061 0.000 1.084 387 V CB 0.935 32.809 31.823 0.084 0.000 0.953 387 V HN 0.159 nan 8.190 nan 0.000 0.483 388 D N 7.558 128.035 120.400 0.129 0.000 2.428 388 D HA 0.254 4.893 4.640 -0.002 0.000 0.221 388 D C -0.837 175.509 176.300 0.076 0.000 1.123 388 D CA -2.220 51.856 54.000 0.126 0.000 0.869 388 D CB 1.562 42.412 40.800 0.082 0.000 1.032 388 D HN 0.244 nan 8.370 nan 0.000 0.506 389 P HA -0.276 nan 4.420 nan 0.000 0.218 389 P C 1.220 178.417 177.300 -0.171 0.000 1.152 389 P CA 1.273 64.216 63.100 -0.261 0.000 0.857 389 P CB 0.403 31.774 31.700 -0.547 0.000 0.787 390 Q N -0.509 119.243 119.800 -0.081 0.000 2.096 390 Q HA -0.135 4.204 4.340 -0.002 0.000 0.204 390 Q C 2.426 178.406 176.000 -0.033 0.000 0.982 390 Q CA 1.895 57.674 55.803 -0.039 0.000 0.850 390 Q CB -0.591 28.169 28.738 0.038 0.000 0.901 390 Q HN 0.256 nan 8.270 nan 0.000 0.422 391 A N 0.813 123.627 122.820 -0.010 0.000 1.877 391 A HA -0.178 4.141 4.320 -0.002 0.000 0.216 391 A C 2.041 179.615 177.584 -0.016 0.000 1.186 391 A CA 1.111 53.147 52.037 -0.003 0.000 0.620 391 A CB -0.625 18.384 19.000 0.014 0.000 0.822 391 A HN 0.313 nan 8.150 nan 0.000 0.443 392 L N -0.173 121.031 121.223 -0.031 0.000 2.046 392 L HA -0.162 4.177 4.340 -0.002 0.000 0.208 392 L C 2.458 179.318 176.870 -0.017 0.000 1.077 392 L CA 1.982 56.807 54.840 -0.026 0.000 0.747 392 L CB -0.891 41.134 42.059 -0.055 0.000 0.896 392 L HN 0.499 nan 8.230 nan 0.000 0.432 393 c N -0.539 118.019 118.600 -0.070 0.000 2.446 393 c HA -0.038 4.530 4.570 -0.002 0.000 0.279 393 c C 2.436 176.513 174.090 -0.021 0.000 1.366 393 c CA 0.477 56.771 56.329 -0.058 0.000 1.763 393 c CB -1.263 41.146 42.510 -0.168 0.000 1.929 393 c HN 0.573 nan 8.230 nan 0.000 0.509 394 N N 0.395 119.071 118.700 -0.040 0.000 2.457 394 N HA -0.076 4.663 4.740 -0.002 0.000 0.180 394 N C 1.788 177.293 175.510 -0.009 0.000 1.050 394 N CA 0.678 53.706 53.050 -0.037 0.000 0.906 394 N CB -0.118 38.340 38.487 -0.047 0.000 0.968 394 N HN 0.714 nan 8.380 nan 0.000 0.445 395 E N 0.473 120.678 120.200 0.007 0.000 2.162 395 E HA 0.075 4.424 4.350 -0.002 0.000 0.193 395 E C 0.295 176.917 176.600 0.036 0.000 0.953 395 E CA 0.121 56.532 56.400 0.018 0.000 0.849 395 E CB 0.465 30.176 29.700 0.019 0.000 0.810 395 E HN 0.001 nan 8.360 nan 0.000 0.470 396 R N 0.925 121.463 120.500 0.063 0.000 2.423 396 R HA 0.305 4.644 4.340 -0.002 0.000 0.293 396 R C -0.022 176.364 176.300 0.144 0.000 1.196 396 R CA -0.364 55.793 56.100 0.096 0.000 1.262 396 R CB 1.370 31.752 30.300 0.137 0.000 1.116 396 R HN 0.088 nan 8.270 nan 0.000 0.566 397 G N 0.219 109.077 108.800 0.097 0.000 2.508 397 G HA2 0.239 4.198 3.960 -0.002 0.000 0.278 397 G HA3 0.239 4.198 3.960 -0.002 0.000 0.278 397 G C 0.985 175.900 174.900 0.024 0.000 1.389 397 G CA 0.073 45.254 45.100 0.135 0.000 1.050 397 G HN 0.510 nan 8.290 nan 0.000 0.522 398 A N -0.667 122.125 122.820 -0.046 0.000 2.024 398 A HA -0.053 4.266 4.320 -0.002 0.000 0.220 398 A C 2.435 179.877 177.584 -0.238 0.000 1.164 398 A CA 2.624 54.475 52.037 -0.310 0.000 0.643 398 A CB -0.632 18.218 19.000 -0.250 0.000 0.806 398 A HN 1.189 nan 8.150 nan 0.000 0.451 399 S N -1.288 114.329 115.700 -0.139 0.000 2.593 399 S HA 0.193 4.662 4.470 -0.002 0.000 0.217 399 S C 0.732 175.289 174.600 -0.072 0.000 0.966 399 S CA 0.455 58.591 58.200 -0.108 0.000 0.914 399 S CB -0.314 62.835 63.200 -0.084 0.000 0.776 399 S HN 0.357 nan 8.310 nan 0.000 0.523 400 S N 2.331 117.993 115.700 -0.064 0.000 2.409 400 S HA 0.367 4.836 4.470 -0.002 0.000 0.308 400 S C 0.034 174.613 174.600 -0.034 0.000 1.080 400 S CA -0.859 57.326 58.200 -0.025 0.000 1.081 400 S CB 0.011 63.220 63.200 0.016 0.000 1.009 400 S HN 0.451 nan 8.310 nan 0.000 0.502 401 R N 2.989 123.474 120.500 -0.026 0.000 2.438 401 R HA 0.524 4.863 4.340 -0.002 0.000 0.287 401 R C 0.845 177.144 176.300 -0.003 0.000 1.077 401 R CA -0.168 55.918 56.100 -0.023 0.000 1.034 401 R CB 0.892 31.181 30.300 -0.017 0.000 0.993 401 R HN 0.664 nan 8.270 nan 0.000 0.459 402 G N 0.030 108.823 108.800 -0.011 0.000 3.222 402 G HA2 0.493 4.452 3.960 -0.002 0.000 0.263 402 G HA3 0.493 4.452 3.960 -0.002 0.000 0.263 402 G C -0.072 174.822 174.900 -0.009 0.000 1.312 402 G CA 0.001 45.099 45.100 -0.002 0.000 0.934 402 G HN 0.545 nan 8.290 nan 0.000 0.577 403 A N -0.948 121.861 122.820 -0.017 0.000 1.838 403 A HA 0.469 4.788 4.320 -0.002 0.000 0.215 403 A C 0.590 178.165 177.584 -0.015 0.000 1.273 403 A CA 0.939 52.970 52.037 -0.010 0.000 0.602 403 A CB -0.758 18.242 19.000 0.000 0.000 0.934 403 A HN 0.394 nan 8.150 nan 0.000 0.461 404 L N 0.085 121.290 121.223 -0.030 0.000 2.255 404 L HA 0.589 4.928 4.340 -0.002 0.000 0.289 404 L C 0.620 177.528 176.870 0.062 0.000 1.046 404 L CA 1.133 56.000 54.840 0.045 0.000 0.816 404 L CB 0.134 42.219 42.059 0.043 0.000 1.197 404 L HN 0.938 nan 8.230 nan 0.000 0.427 405 G N 4.443 113.372 108.800 0.215 0.000 2.699 405 G HA2 -0.089 3.870 3.960 -0.002 0.000 0.686 405 G HA3 -0.089 3.870 3.960 -0.002 0.000 0.686 405 G C -3.020 171.841 174.900 -0.065 0.000 1.301 405 G CA -1.133 43.975 45.100 0.014 0.000 0.816 405 G HN 0.443 nan 8.290 nan 0.000 0.595 406 P HA 0.488 nan 4.420 nan 0.000 0.276 406 P C -0.638 176.450 177.300 -0.353 0.000 1.253 406 P CA 0.181 63.033 63.100 -0.413 0.000 0.766 406 P CB 0.101 31.224 31.700 -0.961 0.000 0.845 407 F N 1.619 121.330 119.950 -0.398 0.000 2.547 407 F HA 0.877 5.403 4.527 -0.002 0.000 0.316 407 F C 0.086 175.469 175.800 -0.696 0.000 1.121 407 F CA -0.796 56.769 58.000 -0.724 0.000 0.911 407 F CB 1.673 40.285 39.000 -0.647 0.000 1.179 407 F HN 0.607 nan 8.300 nan 0.000 0.443 408 G N 2.158 110.510 108.800 -0.747 0.000 2.593 408 G HA2 0.405 4.364 3.960 -0.002 0.000 0.103 408 G HA3 0.405 4.364 3.960 -0.002 0.000 0.103 408 G C -2.518 172.447 174.900 0.108 0.000 1.103 408 G CA -0.591 44.466 45.100 -0.072 0.000 1.109 408 G HN 0.802 nan 8.290 nan 0.000 0.516 409 L N 0.525 121.960 121.223 0.354 0.000 2.362 409 L HA 0.801 5.140 4.340 -0.002 0.000 0.271 409 L C -0.865 176.335 176.870 0.550 0.000 1.002 409 L CA -0.683 54.433 54.840 0.461 0.000 0.818 409 L CB 1.885 44.123 42.059 0.297 0.000 1.298 409 L HN 0.448 nan 8.230 nan 0.000 0.420 410 L N 4.814 126.329 121.223 0.486 0.000 2.277 410 L HA 0.722 5.061 4.340 -0.002 0.000 0.284 410 L C -0.135 176.902 176.870 0.279 0.000 1.028 410 L CA -0.398 54.638 54.840 0.326 0.000 0.835 410 L CB 1.194 43.419 42.059 0.276 0.000 1.215 410 L HN 0.763 nan 8.230 nan 0.000 0.425 411 A N 3.901 126.844 122.820 0.205 0.000 2.299 411 A HA 0.737 5.056 4.320 -0.002 0.000 0.332 411 A C 0.529 178.213 177.584 0.166 0.000 1.131 411 A CA -0.613 51.518 52.037 0.157 0.000 0.844 411 A CB 1.058 20.128 19.000 0.118 0.000 1.251 411 A HN 0.676 nan 8.150 nan 0.000 0.486 412 M N -1.309 118.387 119.600 0.159 0.000 2.175 412 M HA -0.205 4.274 4.480 -0.002 0.000 0.192 412 M C 0.320 176.861 176.300 0.402 0.000 0.473 412 M CA 1.043 56.484 55.300 0.235 0.000 0.414 412 M CB -2.802 29.871 32.600 0.121 0.000 1.069 412 M HN 1.164 nan 8.290 nan 0.000 0.933 413 A N 0.324 123.369 122.820 0.374 0.000 2.340 413 A HA 0.814 5.133 4.320 -0.002 0.000 0.331 413 A C 0.666 178.255 177.584 0.008 0.000 1.140 413 A CA 0.080 52.309 52.037 0.321 0.000 0.801 413 A CB 1.079 20.275 19.000 0.327 0.000 1.234 413 A HN 0.706 nan 8.150 nan 0.000 0.469 414 S N 0.862 116.412 115.700 -0.249 0.000 2.624 414 S HA 0.229 4.698 4.470 -0.002 0.000 0.263 414 S C 0.980 175.430 174.600 -0.250 0.000 1.287 414 S CA 0.200 57.959 58.200 -0.735 0.000 0.990 414 S CB 0.882 63.814 63.200 -0.448 0.000 0.950 414 S HN 0.788 nan 8.310 nan 0.000 0.561 415 K N 0.426 120.664 120.400 -0.271 0.000 2.148 415 K HA -0.120 4.199 4.320 -0.002 0.000 0.204 415 K C 0.916 177.382 176.600 -0.223 0.000 1.050 415 K CA 1.670 57.706 56.287 -0.419 0.000 0.942 415 K CB -0.295 32.003 32.500 -0.337 0.000 0.724 415 K HN 0.847 nan 8.250 nan 0.000 0.446 416 D N 0.651 120.957 120.400 -0.156 0.000 2.336 416 D HA -0.060 4.579 4.640 -0.002 0.000 0.228 416 D C 0.540 176.766 176.300 -0.124 0.000 1.120 416 D CA -0.024 53.904 54.000 -0.120 0.000 0.839 416 D CB -0.191 40.562 40.800 -0.078 0.000 0.932 416 D HN 0.256 nan 8.370 nan 0.000 0.509 417 L N -0.994 120.150 121.223 -0.132 0.000 4.111 417 L HA -0.310 4.029 4.340 -0.002 0.000 0.428 417 L C 1.619 178.442 176.870 -0.079 0.000 1.149 417 L CA 0.470 55.230 54.840 -0.133 0.000 0.981 417 L CB -1.327 40.579 42.059 -0.255 0.000 1.914 417 L HN 0.063 nan 8.230 nan 0.000 1.016 418 K N 0.774 121.151 120.400 -0.038 0.000 2.155 418 K HA 0.055 4.374 4.320 -0.002 0.000 0.203 418 K C 0.501 177.126 176.600 0.041 0.000 1.052 418 K CA 1.351 57.636 56.287 -0.003 0.000 0.948 418 K CB 0.227 32.737 32.500 0.016 0.000 0.728 418 K HN 0.475 nan 8.250 nan 0.000 0.448 419 E N 0.294 120.555 120.200 0.101 0.000 2.210 419 E HA 0.230 4.579 4.350 -0.002 0.000 0.266 419 E C -1.162 175.548 176.600 0.184 0.000 0.883 419 E CA -0.664 55.843 56.400 0.178 0.000 0.761 419 E CB 1.807 31.717 29.700 0.350 0.000 1.156 419 E HN 0.192 nan 8.360 nan 0.000 0.412 420 Q N 0.150 120.027 119.800 0.127 0.000 2.527 420 Q HA 0.557 4.896 4.340 -0.002 0.000 0.280 420 Q C -1.517 174.530 176.000 0.080 0.000 0.977 420 Q CA -0.967 54.904 55.803 0.114 0.000 0.837 420 Q CB 1.686 30.435 28.738 0.018 0.000 1.454 420 Q HN 0.258 nan 8.270 nan 0.000 0.387 421 S N 0.647 116.406 115.700 0.098 0.000 2.596 421 S HA 0.782 5.251 4.470 -0.002 0.000 0.318 421 S C -1.095 173.567 174.600 0.104 0.000 1.097 421 S CA -0.518 57.727 58.200 0.074 0.000 1.080 421 S CB 1.484 64.722 63.200 0.064 0.000 0.991 421 S HN 0.694 nan 8.310 nan 0.000 0.471 422 A N 3.429 126.320 122.820 0.117 0.000 2.271 422 A HA 0.761 5.080 4.320 -0.002 0.000 0.317 422 A C -0.762 176.996 177.584 0.289 0.000 1.245 422 A CA -0.525 51.663 52.037 0.250 0.000 0.857 422 A CB 0.026 19.167 19.000 0.235 0.000 1.175 422 A HN 0.629 nan 8.150 nan 0.000 0.512 423 I N 3.975 124.701 120.570 0.260 0.000 2.355 423 I HA 0.618 4.787 4.170 -0.002 0.000 0.288 423 I C -0.252 175.889 176.117 0.039 0.000 0.999 423 I CA -0.256 61.054 61.300 0.017 0.000 1.163 423 I CB 0.328 38.318 38.000 -0.018 0.000 1.316 423 I HN 0.623 nan 8.210 nan 0.000 0.454 424 F N 4.232 123.989 119.950 -0.321 0.000 3.016 424 F HA 0.811 5.337 4.527 -0.002 0.000 0.324 424 F C -1.566 173.716 175.800 -0.862 0.000 1.196 424 F CA -1.349 56.337 58.000 -0.524 0.000 0.929 424 F CB 1.042 39.864 39.000 -0.297 0.000 1.440 424 F HN 0.066 nan 8.300 nan 0.000 0.505 425 F N 0.013 119.761 119.950 -0.338 0.000 2.654 425 F HA 0.833 5.360 4.527 -0.002 0.000 0.334 425 F C -0.371 175.141 175.800 -0.479 0.000 1.078 425 F CA -1.066 56.614 58.000 -0.533 0.000 0.986 425 F CB 2.080 40.626 39.000 -0.757 0.000 1.362 425 F HN 0.326 nan 8.300 nan 0.000 0.498 426 R N 0.578 121.008 120.500 -0.117 0.000 2.566 426 R HA 0.625 4.964 4.340 -0.002 0.000 0.271 426 R C -2.157 174.016 176.300 -0.213 0.000 1.071 426 R CA -0.754 55.219 56.100 -0.211 0.000 0.915 426 R CB 2.567 32.772 30.300 -0.158 0.000 1.228 426 R HN 0.420 nan 8.270 nan 0.000 0.449 427 V N 4.247 123.992 119.914 -0.282 0.000 2.448 427 V HA 0.583 4.702 4.120 -0.002 0.000 0.295 427 V C -0.668 175.273 176.094 -0.254 0.000 1.025 427 V CA -0.527 61.703 62.300 -0.117 0.000 0.859 427 V CB 1.303 33.126 31.823 -0.001 0.000 0.988 427 V HN 0.514 nan 8.190 nan 0.000 0.431 428 F N 2.321 122.397 119.950 0.210 0.000 2.618 428 F HA 0.736 5.262 4.527 -0.002 0.000 0.332 428 F C 0.157 176.085 175.800 0.214 0.000 1.061 428 F CA -0.713 57.401 58.000 0.191 0.000 0.974 428 F CB 1.974 41.072 39.000 0.165 0.000 1.310 428 F HN 0.532 nan 8.300 nan 0.000 0.491 429 Q N 1.356 121.360 119.800 0.340 0.000 2.359 429 Q HA 0.445 4.784 4.340 -0.002 0.000 0.274 429 Q C -1.718 174.299 176.000 0.030 0.000 1.074 429 Q CA -1.149 54.704 55.803 0.082 0.000 0.810 429 Q CB 2.458 31.164 28.738 -0.053 0.000 1.342 429 Q HN 0.666 nan 8.270 nan 0.000 0.427 430 N N 1.638 120.305 118.700 -0.054 0.000 2.495 430 N HA 0.018 4.757 4.740 -0.002 0.000 0.280 430 N C 0.498 175.969 175.510 -0.064 0.000 1.168 430 N CA -0.305 52.717 53.050 -0.048 0.000 0.978 430 N CB 1.475 39.927 38.487 -0.058 0.000 1.191 430 N HN 0.828 nan 8.380 nan 0.000 0.497 431 Q N -0.016 119.759 119.800 -0.042 0.000 2.156 431 Q HA -0.094 4.245 4.340 -0.002 0.000 0.211 431 Q C 1.326 177.295 176.000 -0.051 0.000 0.995 431 Q CA 1.701 57.482 55.803 -0.037 0.000 0.877 431 Q CB -0.331 28.391 28.738 -0.026 0.000 0.920 431 Q HN 0.671 nan 8.270 nan 0.000 0.416 432 L N -1.781 119.406 121.223 -0.060 0.000 2.465 432 L HA 0.121 4.460 4.340 -0.002 0.000 0.224 432 L C 1.628 178.441 176.870 -0.095 0.000 1.145 432 L CA 1.609 56.411 54.840 -0.063 0.000 0.834 432 L CB -1.260 40.767 42.059 -0.053 0.000 0.944 432 L HN 0.536 nan 8.230 nan 0.000 0.451 433 G N -0.906 107.804 108.800 -0.150 0.000 2.179 433 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.220 433 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.220 433 G C 0.516 175.155 174.900 -0.434 0.000 0.990 433 G CA -0.391 44.556 45.100 -0.255 0.000 0.646 433 G HN 0.238 nan 8.290 nan 0.000 0.517 434 R N -0.071 120.257 120.500 -0.287 0.000 2.490 434 R HA 0.573 4.912 4.340 -0.002 0.000 0.278 434 R C -0.113 176.017 176.300 -0.283 0.000 1.069 434 R CA -0.281 55.679 56.100 -0.232 0.000 1.080 434 R CB 0.377 30.634 30.300 -0.072 0.000 1.030 434 R HN 0.321 nan 8.270 nan 0.000 0.491 435 Y N -0.448 119.881 120.300 0.048 0.000 2.458 435 Y HA 0.326 4.875 4.550 -0.002 0.000 0.322 435 Y C 0.869 176.821 175.900 0.087 0.000 1.259 435 Y CA -0.383 57.762 58.100 0.075 0.000 1.302 435 Y CB 1.444 39.945 38.460 0.068 0.000 1.314 435 Y HN 0.586 nan 8.280 nan 0.000 0.509 436 S N -0.436 115.463 115.700 0.332 0.000 2.546 436 S HA 0.805 5.274 4.470 -0.002 0.000 0.274 436 S C -1.726 173.089 174.600 0.358 0.000 1.121 436 S CA -0.854 57.517 58.200 0.285 0.000 0.887 436 S CB 1.365 64.695 63.200 0.216 0.000 1.094 436 S HN 0.372 nan 8.310 nan 0.000 0.474 437 V N 2.570 122.686 119.914 0.338 0.000 2.555 437 V HA 0.682 4.801 4.120 -0.002 0.000 0.302 437 V C -0.821 175.485 176.094 0.355 0.000 1.038 437 V CA -0.705 61.767 62.300 0.286 0.000 0.887 437 V CB 1.461 33.374 31.823 0.149 0.000 0.991 437 V HN 0.928 nan 8.190 nan 0.000 0.434 438 L N 5.100 126.470 121.223 0.245 0.000 2.346 438 L HA 0.727 5.066 4.340 -0.002 0.000 0.276 438 L C -0.566 176.277 176.870 -0.046 0.000 1.006 438 L CA -0.287 54.537 54.840 -0.027 0.000 0.817 438 L CB 1.609 43.614 42.059 -0.091 0.000 1.272 438 L HN 0.784 nan 8.230 nan 0.000 0.421 439 M N 4.806 124.292 119.600 -0.192 0.000 2.294 439 M HA 0.559 5.037 4.480 -0.002 0.000 0.335 439 M C -1.567 174.411 176.300 -0.536 0.000 1.079 439 M CA -0.224 54.864 55.300 -0.353 0.000 0.982 439 M CB 1.179 33.667 32.600 -0.187 0.000 1.651 439 M HN 0.782 nan 8.290 nan 0.000 0.437 440 c N 1.355 119.453 118.600 -0.836 0.000 2.779 440 c HA 0.692 5.261 4.570 -0.002 0.000 0.314 440 c C -0.304 173.398 174.090 -0.647 0.000 1.231 440 c CA -0.611 55.217 56.329 -0.836 0.000 1.652 440 c CB 2.346 44.039 42.510 -1.362 0.000 2.198 440 c HN 0.853 nan 8.230 nan 0.000 0.483 441 S N 1.190 116.666 115.700 -0.374 0.000 2.395 441 S HA 0.166 4.635 4.470 -0.002 0.000 0.207 441 S C -0.876 173.633 174.600 -0.150 0.000 1.454 441 S CA -0.203 57.879 58.200 -0.197 0.000 1.211 441 S CB 0.187 63.332 63.200 -0.093 0.000 1.093 441 S HN 0.835 nan 8.310 nan 0.000 0.472 442 D N 2.947 123.324 120.400 -0.039 0.000 2.455 442 D HA 0.157 4.796 4.640 -0.002 0.000 0.234 442 D C 0.592 176.885 176.300 -0.012 0.000 1.224 442 D CA -0.361 53.655 54.000 0.027 0.000 0.999 442 D CB 0.243 41.185 40.800 0.235 0.000 1.072 442 D HN 0.175 nan 8.370 nan 0.000 0.514 443 L N 2.539 123.707 121.223 -0.091 0.000 2.591 443 L HA 0.023 4.362 4.340 -0.002 0.000 0.228 443 L C 2.408 179.242 176.870 -0.061 0.000 1.133 443 L CA 0.445 55.236 54.840 -0.081 0.000 0.880 443 L CB -1.126 40.849 42.059 -0.140 0.000 1.033 443 L HN 0.454 nan 8.230 nan 0.000 0.450 444 S N -0.164 115.502 115.700 -0.056 0.000 2.402 444 S HA -0.213 4.256 4.470 -0.002 0.000 0.233 444 S C 1.826 176.413 174.600 -0.021 0.000 1.030 444 S CA 1.124 59.299 58.200 -0.041 0.000 1.003 444 S CB -0.233 62.947 63.200 -0.034 0.000 0.813 444 S HN 0.520 nan 8.310 nan 0.000 0.477 445 R N 0.722 121.214 120.500 -0.013 0.000 2.613 445 R HA 0.261 4.600 4.340 -0.002 0.000 0.361 445 R C 1.869 178.185 176.300 0.027 0.000 1.072 445 R CA 0.566 56.667 56.100 0.001 0.000 1.089 445 R CB 0.294 30.585 30.300 -0.016 0.000 1.343 445 R HN 0.668 nan 8.270 nan 0.000 0.571 446 S N -0.579 115.135 115.700 0.023 0.000 2.382 446 S HA -0.076 4.393 4.470 -0.002 0.000 0.228 446 S C 1.039 175.679 174.600 0.066 0.000 1.027 446 S CA 1.023 59.249 58.200 0.043 0.000 0.991 446 S CB 0.167 63.373 63.200 0.011 0.000 0.823 446 S HN 0.146 nan 8.310 nan 0.000 0.469 447 T N -0.182 114.407 114.554 0.058 0.000 2.923 447 T HA 0.488 4.837 4.350 -0.002 0.000 0.311 447 T C 0.415 175.151 174.700 0.059 0.000 1.183 447 T CA -0.224 61.920 62.100 0.072 0.000 1.020 447 T CB 1.823 70.741 68.868 0.083 0.000 1.165 447 T HN 0.356 nan 8.240 nan 0.000 0.482 448 V N 1.787 121.743 119.914 0.069 0.000 3.506 448 V HA 0.436 4.555 4.120 -0.002 0.000 0.263 448 V C 1.125 177.241 176.094 0.038 0.000 1.203 448 V CA 0.069 62.399 62.300 0.051 0.000 1.133 448 V CB -0.764 31.096 31.823 0.062 0.000 0.802 448 V HN 0.684 nan 8.190 nan 0.000 0.459 449 R N 1.559 122.083 120.500 0.040 0.000 2.756 449 R HA 0.300 4.639 4.340 -0.002 0.000 0.264 449 R C 0.190 176.490 176.300 0.000 0.000 1.026 449 R CA 0.267 56.379 56.100 0.020 0.000 1.121 449 R CB 0.323 30.632 30.300 0.015 0.000 0.999 449 R HN 0.427 nan 8.270 nan 0.000 0.449 450 S N 1.761 117.454 115.700 -0.011 0.000 2.616 450 S HA 0.166 4.635 4.470 -0.002 0.000 0.277 450 S C 0.390 174.967 174.600 -0.039 0.000 1.234 450 S CA -0.650 57.538 58.200 -0.019 0.000 1.028 450 S CB 0.871 64.062 63.200 -0.015 0.000 0.988 450 S HN 0.715 nan 8.310 nan 0.000 0.522 451 N N 0.093 118.770 118.700 -0.039 0.000 2.882 451 N HA -0.124 4.615 4.740 -0.002 0.000 0.249 451 N C -1.109 174.358 175.510 -0.072 0.000 1.079 451 N CA 0.526 53.545 53.050 -0.052 0.000 0.800 451 N CB -0.996 37.454 38.487 -0.062 0.000 1.124 451 N HN 0.370 nan 8.380 nan 0.000 0.557 452 I N 0.787 121.323 120.570 -0.057 0.000 2.412 452 I HA 0.205 4.374 4.170 -0.002 0.000 0.296 452 I C 0.655 176.764 176.117 -0.014 0.000 0.987 452 I CA -0.681 60.588 61.300 -0.052 0.000 1.180 452 I CB 1.520 39.507 38.000 -0.021 0.000 1.340 452 I HN -0.094 nan 8.210 nan 0.000 0.455 453 D N 4.795 125.197 120.400 0.003 0.000 2.344 453 D HA 0.082 4.721 4.640 -0.002 0.000 0.253 453 D C 0.673 176.979 176.300 0.011 0.000 1.255 453 D CA 0.046 54.052 54.000 0.010 0.000 0.894 453 D CB 0.743 41.560 40.800 0.029 0.000 1.067 453 D HN 0.643 nan 8.370 nan 0.000 0.492 454 T N 0.079 114.618 114.554 -0.025 0.000 3.269 454 T HA 0.156 4.505 4.350 -0.002 0.000 0.269 454 T C 0.688 175.305 174.700 -0.139 0.000 0.993 454 T CA -0.575 61.489 62.100 -0.060 0.000 0.909 454 T CB -0.263 68.583 68.868 -0.037 0.000 1.115 454 T HN 0.137 nan 8.240 nan 0.000 0.543 455 T N 2.957 117.414 114.554 -0.162 0.000 2.903 455 T HA 0.279 4.628 4.350 -0.002 0.000 0.314 455 T C 0.434 174.785 174.700 -0.582 0.000 1.078 455 T CA 0.082 62.029 62.100 -0.255 0.000 1.114 455 T CB 0.719 69.496 68.868 -0.151 0.000 0.987 455 T HN 0.377 nan 8.240 nan 0.000 0.548 456 S N 0.856 116.245 115.700 -0.519 0.000 2.687 456 S HA 0.627 5.096 4.470 -0.002 0.000 0.283 456 S C -1.168 172.988 174.600 -0.739 0.000 1.170 456 S CA -0.648 57.180 58.200 -0.619 0.000 1.008 456 S CB 0.453 63.485 63.200 -0.280 0.000 1.026 456 S HN 0.521 nan 8.310 nan 0.000 0.541 457 Y N -0.238 119.997 120.300 -0.107 0.000 2.485 457 Y HA 0.759 5.308 4.550 -0.002 0.000 0.345 457 Y C 0.603 176.388 175.900 -0.191 0.000 0.998 457 Y CA -1.024 57.000 58.100 -0.127 0.000 1.059 457 Y CB 1.900 40.289 38.460 -0.118 0.000 1.234 457 Y HN 0.835 nan 8.280 nan 0.000 0.461 458 G N -0.112 108.655 108.800 -0.054 0.000 2.677 458 G HA2 0.817 4.776 3.960 -0.002 0.000 0.291 458 G HA3 0.817 4.776 3.960 -0.002 0.000 0.291 458 G C -2.010 172.694 174.900 -0.326 0.000 1.435 458 G CA -0.494 44.468 45.100 -0.229 0.000 0.826 458 G HN 0.921 nan 8.290 nan 0.000 0.491 459 A N -0.275 122.281 122.820 -0.439 0.000 2.605 459 A HA 0.750 5.069 4.320 -0.002 0.000 0.294 459 A C -1.685 175.642 177.584 -0.429 0.000 1.062 459 A CA -0.767 50.929 52.037 -0.567 0.000 0.682 459 A CB 0.837 19.326 19.000 -0.852 0.000 1.278 459 A HN 0.758 nan 8.150 nan 0.000 0.410 460 F N 0.898 120.718 119.950 -0.217 0.000 2.396 460 F HA 0.479 5.005 4.527 -0.002 0.000 0.343 460 F C 0.548 176.331 175.800 -0.029 0.000 1.104 460 F CA -0.131 57.827 58.000 -0.070 0.000 1.161 460 F CB 1.726 40.700 39.000 -0.043 0.000 1.146 460 F HN 0.295 nan 8.300 nan 0.000 0.522 461 V N 2.149 122.199 119.914 0.227 0.000 2.465 461 V HA 0.090 4.209 4.120 -0.002 0.000 0.279 461 V C -0.299 175.895 176.094 0.167 0.000 1.045 461 V CA -0.700 61.709 62.300 0.181 0.000 0.938 461 V CB 1.454 33.393 31.823 0.192 0.000 0.986 461 V HN 0.609 nan 8.190 nan 0.000 0.467 462 D N 5.497 125.978 120.400 0.136 0.000 2.563 462 D HA 0.443 5.082 4.640 -0.002 0.000 0.222 462 D C -0.173 176.183 176.300 0.094 0.000 1.145 462 D CA -0.047 54.020 54.000 0.111 0.000 1.001 462 D CB -0.150 40.712 40.800 0.103 0.000 1.049 462 D HN 0.584 nan 8.370 nan 0.000 0.515 463 I N -1.988 118.634 120.570 0.087 0.000 3.279 463 I HA 0.601 4.770 4.170 -0.002 0.000 0.315 463 I C -1.172 174.984 176.117 0.066 0.000 1.187 463 I CA -1.267 60.073 61.300 0.066 0.000 0.953 463 I CB 2.189 40.217 38.000 0.047 0.000 1.279 463 I HN -0.232 nan 8.210 nan 0.000 0.465 464 D N 2.327 122.757 120.400 0.050 0.000 2.472 464 D HA 0.460 5.099 4.640 -0.002 0.000 0.234 464 D C -1.952 174.355 176.300 0.012 0.000 1.088 464 D CA -2.147 51.887 54.000 0.055 0.000 0.882 464 D CB 1.659 42.495 40.800 0.059 0.000 1.037 464 D HN 0.226 nan 8.370 nan 0.000 0.520 465 P HA -0.206 nan 4.420 nan 0.000 0.218 465 P C 1.101 178.319 177.300 -0.137 0.000 1.147 465 P CA 1.128 64.167 63.100 -0.101 0.000 0.827 465 P CB 0.280 31.872 31.700 -0.179 0.000 0.778 466 R N -1.098 119.334 120.500 -0.113 0.000 2.062 466 R HA -0.069 4.270 4.340 -0.002 0.000 0.231 466 R C 2.549 178.823 176.300 -0.042 0.000 1.136 466 R CA 1.911 57.960 56.100 -0.085 0.000 0.948 466 R CB -1.080 29.221 30.300 0.001 0.000 0.845 466 R HN 0.200 nan 8.270 nan 0.000 0.430 467 S N 0.462 116.153 115.700 -0.015 0.000 2.371 467 S HA -0.062 4.407 4.470 -0.002 0.000 0.221 467 S C 0.337 174.928 174.600 -0.014 0.000 1.036 467 S CA 0.273 58.469 58.200 -0.008 0.000 0.965 467 S CB 0.133 63.338 63.200 0.008 0.000 0.845 467 S HN 0.359 nan 8.310 nan 0.000 0.475 468 E N 0.806 120.998 120.200 -0.013 0.000 2.212 468 E HA 0.478 4.827 4.350 -0.002 0.000 0.270 468 E C -1.034 175.552 176.600 -0.024 0.000 0.956 468 E CA -0.863 55.529 56.400 -0.014 0.000 0.825 468 E CB 1.215 30.913 29.700 -0.002 0.000 1.167 468 E HN 0.289 nan 8.360 nan 0.000 0.400 469 E N 1.487 121.676 120.200 -0.019 0.000 2.366 469 E HA 0.197 4.546 4.350 -0.002 0.000 0.266 469 E C -0.310 176.280 176.600 -0.018 0.000 1.051 469 E CA -0.426 55.965 56.400 -0.014 0.000 0.884 469 E CB 1.045 30.741 29.700 -0.006 0.000 1.006 469 E HN 0.408 nan 8.360 nan 0.000 0.417 470 I N 2.771 123.328 120.570 -0.022 0.000 2.363 470 I HA 0.018 4.187 4.170 -0.002 0.000 0.292 470 I C 0.195 176.310 176.117 -0.002 0.000 1.075 470 I CA -0.119 61.096 61.300 -0.142 0.000 1.333 470 I CB 0.192 37.957 38.000 -0.391 0.000 1.415 470 I HN 0.346 nan 8.210 nan 0.000 0.502 471 S N 7.327 123.053 115.700 0.044 0.000 2.565 471 S HA 0.818 5.287 4.470 -0.002 0.000 0.290 471 S C -0.670 174.139 174.600 0.348 0.000 1.150 471 S CA -0.854 57.443 58.200 0.162 0.000 1.058 471 S CB 2.440 65.719 63.200 0.131 0.000 1.032 471 S HN 0.496 nan 8.310 nan 0.000 0.510 472 L N 1.618 123.059 121.223 0.364 0.000 2.580 472 L HA 0.564 4.903 4.340 -0.002 0.000 0.266 472 L C -0.704 176.345 176.870 0.299 0.000 0.955 472 L CA -0.403 54.689 54.840 0.419 0.000 0.886 472 L CB 1.827 44.206 42.059 0.534 0.000 1.263 472 L HN 0.921 nan 8.230 nan 0.000 0.406 473 R N 3.794 124.483 120.500 0.316 0.000 2.532 473 R HA 0.624 4.963 4.340 -0.002 0.000 0.295 473 R C -1.248 175.184 176.300 0.219 0.000 0.968 473 R CA -0.581 55.656 56.100 0.227 0.000 0.916 473 R CB 1.239 31.618 30.300 0.131 0.000 1.124 473 R HN 0.744 nan 8.270 nan 0.000 0.463 474 N N 3.887 122.684 118.700 0.161 0.000 2.352 474 N HA 0.268 5.007 4.740 -0.002 0.000 0.291 474 N C -1.606 173.988 175.510 0.139 0.000 1.040 474 N CA -0.598 52.544 53.050 0.152 0.000 0.864 474 N CB 1.978 40.538 38.487 0.121 0.000 1.440 474 N HN 0.311 nan 8.380 nan 0.000 0.483 475 L N 3.322 124.654 121.223 0.181 0.000 2.264 475 L HA 0.511 4.850 4.340 -0.002 0.000 0.287 475 L C -0.144 176.875 176.870 0.250 0.000 1.039 475 L CA -0.225 54.751 54.840 0.227 0.000 0.829 475 L CB 0.431 42.659 42.059 0.283 0.000 1.211 475 L HN 0.436 nan 8.230 nan 0.000 0.427 476 I N 3.359 124.062 120.570 0.223 0.000 2.312 476 I HA 0.267 4.436 4.170 -0.002 0.000 0.290 476 I C -0.360 175.799 176.117 0.069 0.000 1.008 476 I CA -0.226 61.143 61.300 0.115 0.000 1.226 476 I CB 1.273 39.313 38.000 0.066 0.000 1.371 476 I HN 0.426 nan 8.210 nan 0.000 0.468 477 D N 5.434 125.799 120.400 -0.058 0.000 2.429 477 D HA 0.241 4.880 4.640 -0.002 0.000 0.255 477 D C 0.404 176.672 176.300 -0.053 0.000 1.257 477 D CA -0.213 53.684 54.000 -0.173 0.000 0.890 477 D CB 0.244 40.818 40.800 -0.376 0.000 1.267 477 D HN 0.641 nan 8.370 nan 0.000 0.521 478 H N 0.292 119.328 119.070 -0.057 0.000 1.542 478 H HA -0.338 4.217 4.556 -0.002 0.000 0.090 478 H C 1.449 176.765 175.328 -0.020 0.000 0.566 478 H CA 2.952 58.987 56.048 -0.021 0.000 1.893 478 H CB -1.122 28.637 29.762 -0.004 0.000 2.245 478 H HN 0.387 nan 8.280 nan 0.000 0.960 479 S N 0.795 116.556 115.700 0.100 0.000 2.559 479 S HA 0.384 4.853 4.470 -0.002 0.000 0.226 479 S C 0.405 174.876 174.600 -0.215 0.000 1.000 479 S CA 0.137 58.281 58.200 -0.093 0.000 0.948 479 S CB 0.810 63.977 63.200 -0.056 0.000 0.870 479 S HN 0.440 nan 8.310 nan 0.000 0.497 480 I N 0.769 121.233 120.570 -0.177 0.000 2.647 480 I HA 0.605 4.774 4.170 -0.002 0.000 0.295 480 I C -2.010 174.021 176.117 -0.144 0.000 1.078 480 I CA -1.582 59.594 61.300 -0.208 0.000 1.048 480 I CB 2.059 39.856 38.000 -0.338 0.000 1.239 480 I HN 0.136 nan 8.210 nan 0.000 0.421 481 I N 6.493 127.012 120.570 -0.085 0.000 2.500 481 I HA 0.307 4.476 4.170 -0.002 0.000 0.286 481 I C -0.917 175.184 176.117 -0.028 0.000 1.063 481 I CA -0.500 60.787 61.300 -0.022 0.000 1.062 481 I CB 1.987 39.980 38.000 -0.013 0.000 1.223 481 I HN 0.500 nan 8.210 nan 0.000 0.435 482 E N 4.944 125.154 120.200 0.017 0.000 2.055 482 E HA 0.326 4.675 4.350 -0.002 0.000 0.274 482 E C -0.812 175.640 176.600 -0.247 0.000 0.949 482 E CA -0.396 55.928 56.400 -0.127 0.000 0.775 482 E CB 1.386 31.111 29.700 0.041 0.000 1.097 482 E HN 0.433 nan 8.360 nan 0.000 0.404 483 S N 3.371 118.867 115.700 -0.340 0.000 2.422 483 S HA 0.343 4.812 4.470 -0.002 0.000 0.298 483 S C -0.571 173.803 174.600 -0.376 0.000 1.118 483 S CA -0.607 57.457 58.200 -0.225 0.000 1.083 483 S CB 0.104 63.216 63.200 -0.147 0.000 0.971 483 S HN 0.293 nan 8.310 nan 0.000 0.478 484 F N 2.009 121.966 119.950 0.011 0.000 2.361 484 F HA 0.556 5.082 4.527 -0.001 0.000 0.364 484 F C 1.000 176.919 175.800 0.198 0.000 1.117 484 F CA -0.531 57.514 58.000 0.074 0.000 1.071 484 F CB 1.296 40.290 39.000 -0.009 0.000 1.188 484 F HN 0.637 nan 8.300 nan 0.000 0.464 485 G N 1.589 110.594 108.800 0.341 0.000 2.388 485 G HA2 0.511 4.470 3.960 -0.002 0.000 0.330 485 G HA3 0.511 4.470 3.960 -0.002 0.000 0.330 485 G C 0.051 175.164 174.900 0.355 0.000 1.142 485 G CA -0.492 44.844 45.100 0.394 0.000 0.908 485 G HN 1.199 nan 8.290 nan 0.000 0.473 486 A N 0.372 123.382 122.820 0.317 0.000 2.739 486 A HA 0.270 4.589 4.320 -0.002 0.000 0.296 486 A C 1.957 179.648 177.584 0.178 0.000 1.488 486 A CA 1.667 53.822 52.037 0.196 0.000 0.746 486 A CB -1.392 17.698 19.000 0.151 0.000 1.047 486 A HN 3.018 nan 8.150 nan 0.000 0.477 487 G N -2.033 106.906 108.800 0.231 0.000 2.168 487 G HA2 0.261 4.220 3.960 -0.002 0.000 0.257 487 G HA3 0.261 4.220 3.960 -0.002 0.000 0.257 487 G C 1.123 176.129 174.900 0.176 0.000 0.997 487 G CA 1.017 46.141 45.100 0.040 0.000 0.708 487 G HN 3.053 nan 8.290 nan 0.000 0.520 488 G N -1.284 107.773 108.800 0.428 0.000 2.154 488 G HA2 -0.202 3.757 3.960 -0.002 0.000 0.186 488 G HA3 -0.202 3.757 3.960 -0.002 0.000 0.186 488 G C 0.775 175.783 174.900 0.181 0.000 1.000 488 G CA 1.087 46.427 45.100 0.400 0.000 0.664 488 G HN 0.801 nan 8.290 nan 0.000 0.513 489 K N -0.308 120.193 120.400 0.170 0.000 2.366 489 K HA 0.155 4.474 4.320 -0.002 0.000 0.198 489 K C 0.183 176.885 176.600 0.170 0.000 1.044 489 K CA 1.232 57.600 56.287 0.135 0.000 0.973 489 K CB 0.173 32.750 32.500 0.129 0.000 0.767 489 K HN 0.288 nan 8.250 nan 0.000 0.475 490 T N 0.246 114.913 114.554 0.189 0.000 3.578 490 T HA 0.206 4.555 4.350 -0.002 0.000 0.329 490 T C -1.110 173.661 174.700 0.119 0.000 0.913 490 T CA -0.682 61.530 62.100 0.187 0.000 1.029 490 T CB 0.747 69.712 68.868 0.161 0.000 1.045 490 T HN 0.033 nan 8.240 nan 0.000 0.460 491 C N 3.770 123.086 119.300 0.027 0.000 2.391 491 C HA 0.809 5.268 4.460 -0.002 0.000 0.339 491 C C -0.003 174.839 174.990 -0.247 0.000 1.205 491 C CA -0.899 57.992 59.018 -0.212 0.000 1.937 491 C CB 0.045 27.568 27.740 -0.362 0.000 2.341 491 C HN 0.821 nan 8.230 nan 0.000 0.516 492 I N 1.802 122.169 120.570 -0.337 0.000 2.563 492 I HA 0.206 4.375 4.170 -0.002 0.000 0.285 492 I C -0.420 175.547 176.117 -0.251 0.000 1.123 492 I CA 0.221 61.373 61.300 -0.247 0.000 1.059 492 I CB 1.786 39.705 38.000 -0.134 0.000 1.229 492 I HN 0.635 nan 8.210 nan 0.000 0.442 493 T N 4.240 118.656 114.554 -0.231 0.000 2.799 493 T HA 0.515 4.864 4.350 -0.002 0.000 0.286 493 T C -0.100 174.553 174.700 -0.078 0.000 0.973 493 T CA -0.506 61.516 62.100 -0.130 0.000 1.035 493 T CB 1.120 69.976 68.868 -0.020 0.000 0.932 493 T HN 0.575 nan 8.240 nan 0.000 0.469 494 S N 3.374 119.056 115.700 -0.030 0.000 2.536 494 S HA 0.687 5.156 4.470 -0.002 0.000 0.287 494 S C -0.825 173.748 174.600 -0.044 0.000 1.101 494 S CA -1.335 56.891 58.200 0.042 0.000 0.950 494 S CB 1.705 64.953 63.200 0.079 0.000 1.056 494 S HN 0.392 nan 8.310 nan 0.000 0.481 495 R N 2.274 122.742 120.500 -0.053 0.000 2.393 495 R HA 0.619 4.958 4.340 -0.002 0.000 0.310 495 R C -0.492 175.629 176.300 -0.299 0.000 0.968 495 R CA -0.714 55.257 56.100 -0.215 0.000 0.867 495 R CB 1.189 31.380 30.300 -0.182 0.000 1.124 495 R HN 0.821 nan 8.270 nan 0.000 0.450 496 I N -0.547 119.716 120.570 -0.511 0.000 2.802 496 I HA 0.464 4.633 4.170 -0.002 0.000 0.298 496 I C -1.270 174.451 176.117 -0.659 0.000 1.176 496 I CA -1.142 59.912 61.300 -0.410 0.000 1.025 496 I CB 1.949 39.854 38.000 -0.159 0.000 1.243 496 I HN 0.526 nan 8.210 nan 0.000 0.424 497 Y N 4.269 124.508 120.300 -0.101 0.000 2.477 497 Y HA 0.404 4.953 4.550 -0.002 0.000 0.340 497 Y C -2.449 173.470 175.900 0.031 0.000 0.987 497 Y CA -1.959 56.073 58.100 -0.113 0.000 1.127 497 Y CB 0.414 38.597 38.460 -0.462 0.000 1.139 497 Y HN 0.398 nan 8.280 nan 0.000 0.637 498 P HA -0.069 nan 4.420 nan 0.000 0.267 498 P C 0.595 177.852 177.300 -0.071 0.000 1.201 498 P CA 0.154 63.206 63.100 -0.080 0.000 0.775 498 P CB 1.775 33.225 31.700 -0.416 0.000 0.854 499 K N 1.829 122.224 120.400 -0.009 0.000 2.098 499 K HA -0.098 4.221 4.320 -0.002 0.000 0.203 499 K C 2.080 178.687 176.600 0.011 0.000 1.051 499 K CA 0.945 57.259 56.287 0.045 0.000 0.957 499 K CB -0.542 32.016 32.500 0.095 0.000 0.738 499 K HN 0.413 nan 8.250 nan 0.000 0.447 500 F N 1.660 121.662 119.950 0.086 0.000 2.225 500 F HA -0.175 4.351 4.527 -0.002 0.000 0.302 500 F C 1.517 177.346 175.800 0.049 0.000 1.068 500 F CA 1.016 59.056 58.000 0.066 0.000 1.327 500 F CB -1.484 37.562 39.000 0.077 0.000 1.043 500 F HN -0.121 nan 8.300 nan 0.000 0.506 501 V N -0.829 118.864 119.914 -0.368 0.000 3.330 501 V HA -0.170 3.949 4.120 -0.002 0.000 0.273 501 V C 1.511 177.564 176.094 -0.068 0.000 1.179 501 V CA 1.956 64.148 62.300 -0.180 0.000 1.174 501 V CB -1.797 29.809 31.823 -0.362 0.000 0.794 501 V HN 0.436 nan 8.190 nan 0.000 0.527 502 N N 0.683 119.366 118.700 -0.028 0.000 2.368 502 N HA 0.063 4.802 4.740 -0.002 0.000 0.176 502 N C 1.505 177.037 175.510 0.036 0.000 1.021 502 N CA 1.374 54.410 53.050 -0.023 0.000 0.888 502 N CB -0.019 38.460 38.487 -0.013 0.000 0.995 502 N HN 0.647 nan 8.380 nan 0.000 0.437 503 N N -0.474 118.281 118.700 0.092 0.000 2.724 503 N HA 0.048 4.787 4.740 -0.002 0.000 0.226 503 N C -0.355 175.224 175.510 0.115 0.000 1.030 503 N CA 0.182 53.287 53.050 0.092 0.000 1.038 503 N CB 0.237 38.777 38.487 0.088 0.000 1.475 503 N HN 0.233 nan 8.380 nan 0.000 0.472 504 E N 1.025 121.327 120.200 0.170 0.000 2.342 504 E HA 0.230 4.579 4.350 -0.002 0.000 0.257 504 E C -0.656 176.060 176.600 0.193 0.000 1.150 504 E CA -0.395 56.093 56.400 0.148 0.000 0.926 504 E CB 1.248 31.009 29.700 0.101 0.000 1.074 504 E HN 0.125 nan 8.360 nan 0.000 0.449 505 E N -0.331 119.920 120.200 0.084 0.000 2.318 505 E HA 0.397 4.746 4.350 -0.002 0.000 0.265 505 E C -0.774 175.811 176.600 -0.026 0.000 1.069 505 E CA -0.538 55.885 56.400 0.038 0.000 0.893 505 E CB 1.236 30.896 29.700 -0.067 0.000 1.076 505 E HN 0.574 nan 8.360 nan 0.000 0.414 506 A N 2.856 125.698 122.820 0.037 0.000 2.287 506 A HA 0.317 4.636 4.320 -0.002 0.000 0.273 506 A C -0.649 176.741 177.584 -0.324 0.000 1.091 506 A CA -0.184 51.879 52.037 0.045 0.000 0.817 506 A CB 0.469 19.607 19.000 0.229 0.000 1.069 506 A HN 0.662 nan 8.150 nan 0.000 0.492 507 H N -0.936 118.061 119.070 -0.123 0.000 2.865 507 H HA 0.601 5.156 4.556 -0.002 0.000 0.372 507 H C -1.654 173.468 175.328 -0.342 0.000 1.173 507 H CA -0.532 55.338 56.048 -0.296 0.000 1.147 507 H CB 1.856 31.398 29.762 -0.366 0.000 1.805 507 H HN 0.484 nan 8.280 nan 0.000 0.553 508 L N 2.206 123.141 121.223 -0.480 0.000 2.409 508 L HA 0.469 4.808 4.340 -0.002 0.000 0.272 508 L C -1.838 174.698 176.870 -0.557 0.000 0.980 508 L CA -0.334 54.300 54.840 -0.342 0.000 0.826 508 L CB 0.742 42.693 42.059 -0.179 0.000 1.268 508 L HN 0.365 nan 8.230 nan 0.000 0.407 509 F N 3.593 123.591 119.950 0.080 0.000 2.588 509 F HA 0.738 5.264 4.527 -0.002 0.000 0.314 509 F C -0.289 175.627 175.800 0.194 0.000 1.069 509 F CA -0.971 57.089 58.000 0.100 0.000 0.931 509 F CB 2.224 41.276 39.000 0.087 0.000 1.260 509 F HN 0.102 nan 8.300 nan 0.000 0.465 510 V N 2.633 122.798 119.914 0.417 0.000 2.581 510 V HA 0.654 4.773 4.120 -0.002 0.000 0.303 510 V C -0.792 175.562 176.094 0.433 0.000 1.041 510 V CA -0.779 61.744 62.300 0.373 0.000 0.907 510 V CB 1.684 33.657 31.823 0.249 0.000 0.994 510 V HN 0.652 nan 8.190 nan 0.000 0.442 511 F N 2.171 122.260 119.950 0.231 0.000 2.686 511 F HA 0.768 5.294 4.527 -0.001 0.000 0.311 511 F C -1.182 174.692 175.800 0.123 0.000 1.128 511 F CA -0.965 57.114 58.000 0.133 0.000 0.946 511 F CB 2.123 41.153 39.000 0.049 0.000 1.336 511 F HN 0.367 nan 8.300 nan 0.000 0.457 512 N N 1.878 120.633 118.700 0.091 0.000 2.533 512 N HA 0.247 4.986 4.740 -0.002 0.000 0.289 512 N C -1.538 174.052 175.510 0.134 0.000 1.103 512 N CA -0.344 52.699 53.050 -0.012 0.000 0.877 512 N CB 1.332 39.800 38.487 -0.032 0.000 1.419 512 N HN 0.826 nan 8.380 nan 0.000 0.517 513 N N 1.612 120.398 118.700 0.145 0.000 2.214 513 N HA 0.201 4.940 4.740 -0.002 0.000 0.214 513 N C 0.466 175.988 175.510 0.019 0.000 1.132 513 N CA -0.049 53.060 53.050 0.099 0.000 0.856 513 N CB 0.584 39.130 38.487 0.099 0.000 1.020 513 N HN 0.682 nan 8.380 nan 0.000 0.509 514 G N -0.670 108.136 108.800 0.010 0.000 2.508 514 G HA2 0.140 4.099 3.960 -0.002 0.000 0.278 514 G HA3 0.140 4.099 3.960 -0.002 0.000 0.278 514 G C 0.944 175.841 174.900 -0.005 0.000 1.389 514 G CA 0.440 45.539 45.100 -0.001 0.000 1.050 514 G HN 0.236 nan 8.290 nan 0.000 0.522 515 T N -3.218 111.331 114.554 -0.008 0.000 2.990 515 T HA 0.218 4.567 4.350 -0.002 0.000 0.250 515 T C 0.673 175.363 174.700 -0.016 0.000 1.041 515 T CA 0.222 62.316 62.100 -0.009 0.000 1.010 515 T CB 0.294 69.160 68.868 -0.004 0.000 1.003 515 T HN 0.250 nan 8.240 nan 0.000 0.499 516 Q N 2.366 122.151 119.800 -0.025 0.000 2.256 516 Q HA 0.368 4.707 4.340 -0.002 0.000 0.257 516 Q C -0.501 175.458 176.000 -0.069 0.000 0.936 516 Q CA -0.486 55.292 55.803 -0.041 0.000 0.903 516 Q CB 1.522 30.235 28.738 -0.042 0.000 1.263 516 Q HN 0.355 nan 8.270 nan 0.000 0.440 517 N N 1.338 119.996 118.700 -0.070 0.000 2.492 517 N HA 0.158 4.897 4.740 -0.002 0.000 0.260 517 N C -0.747 174.675 175.510 -0.146 0.000 1.215 517 N CA 0.185 53.184 53.050 -0.085 0.000 0.923 517 N CB 0.797 39.249 38.487 -0.059 0.000 1.092 517 N HN 0.387 nan 8.380 nan 0.000 0.448 518 V N -0.143 119.662 119.914 -0.181 0.000 3.040 518 V HA 0.651 4.770 4.120 -0.002 0.000 0.312 518 V C -0.595 175.421 176.094 -0.129 0.000 1.115 518 V CA -1.023 61.113 62.300 -0.272 0.000 0.998 518 V CB 1.938 33.392 31.823 -0.614 0.000 1.042 518 V HN 0.645 nan 8.190 nan 0.000 0.433 519 K N 2.172 122.525 120.400 -0.077 0.000 2.318 519 K HA 0.668 4.987 4.320 -0.002 0.000 0.249 519 K C -1.260 175.373 176.600 0.056 0.000 0.942 519 K CA -0.995 55.288 56.287 -0.007 0.000 0.808 519 K CB 2.174 34.657 32.500 -0.029 0.000 1.189 519 K HN 0.848 nan 8.250 nan 0.000 0.428 520 I N 3.495 124.082 120.570 0.028 0.000 2.281 520 I HA -0.008 4.161 4.170 -0.002 0.000 0.293 520 I C 1.388 177.461 176.117 -0.074 0.000 1.085 520 I CA -0.116 61.152 61.300 -0.053 0.000 1.257 520 I CB 1.392 39.356 38.000 -0.060 0.000 1.430 520 I HN 0.752 nan 8.210 nan 0.000 0.489 521 S N 4.922 120.569 115.700 -0.090 0.000 2.356 521 S HA -0.096 4.373 4.470 -0.002 0.000 0.223 521 S C 0.679 175.233 174.600 -0.076 0.000 1.032 521 S CA 1.375 59.533 58.200 -0.069 0.000 1.005 521 S CB 0.148 63.312 63.200 -0.061 0.000 0.867 521 S HN 0.762 nan 8.310 nan 0.000 0.449 522 E N -0.597 119.539 120.200 -0.106 0.000 2.378 522 E HA 0.315 4.664 4.350 -0.002 0.000 0.283 522 E C -1.811 174.714 176.600 -0.125 0.000 0.979 522 E CA -0.485 55.857 56.400 -0.096 0.000 0.795 522 E CB 1.314 30.973 29.700 -0.067 0.000 1.221 522 E HN 0.233 nan 8.360 nan 0.000 0.428 523 M N 3.264 122.793 119.600 -0.120 0.000 2.060 523 M HA 0.343 4.822 4.480 -0.002 0.000 0.275 523 M C -1.725 174.480 176.300 -0.158 0.000 0.919 523 M CA -0.296 54.928 55.300 -0.126 0.000 0.970 523 M CB 1.171 33.704 32.600 -0.111 0.000 1.670 523 M HN 0.342 nan 8.290 nan 0.000 0.440 524 S N 3.210 118.803 115.700 -0.178 0.000 2.422 524 S HA 0.855 5.324 4.470 -0.002 0.000 0.308 524 S C -0.408 173.966 174.600 -0.378 0.000 1.097 524 S CA -0.526 57.446 58.200 -0.380 0.000 1.099 524 S CB 1.006 63.950 63.200 -0.427 0.000 0.976 524 S HN 0.697 nan 8.310 nan 0.000 0.471 525 A N 4.279 126.818 122.820 -0.469 0.000 2.356 525 A HA 0.747 5.066 4.320 -0.002 0.000 0.310 525 A C -1.197 176.198 177.584 -0.316 0.000 1.075 525 A CA -0.657 51.233 52.037 -0.245 0.000 0.746 525 A CB 1.041 19.965 19.000 -0.127 0.000 1.221 525 A HN 0.806 nan 8.150 nan 0.000 0.443 526 W N 1.393 122.673 121.300 -0.033 0.000 2.736 526 W HA 0.446 5.105 4.660 -0.002 0.000 0.335 526 W C -0.312 176.185 176.519 -0.038 0.000 1.059 526 W CA -0.569 56.752 57.345 -0.041 0.000 1.226 526 W CB 2.480 31.902 29.460 -0.062 0.000 1.416 526 W HN 0.634 nan 8.180 nan 0.000 0.505 527 S N 3.370 119.195 115.700 0.209 0.000 2.523 527 S HA 0.373 4.842 4.470 -0.002 0.000 0.275 527 S C 0.226 174.893 174.600 0.111 0.000 1.281 527 S CA -0.473 57.799 58.200 0.121 0.000 1.050 527 S CB 0.523 63.772 63.200 0.081 0.000 0.937 527 S HN 0.156 nan 8.310 nan 0.000 0.492 528 M N 3.947 123.604 119.600 0.095 0.000 2.180 528 M HA 0.291 4.770 4.480 -0.002 0.000 0.350 528 M C 0.185 176.550 176.300 0.109 0.000 1.125 528 M CA -0.581 54.751 55.300 0.054 0.000 1.031 528 M CB 1.141 33.760 32.600 0.032 0.000 1.623 528 M HN 0.627 nan 8.290 nan 0.000 0.451 529 K N 2.038 122.477 120.400 0.064 0.000 2.090 529 K HA 0.409 4.728 4.320 -0.002 0.000 0.250 529 K C -0.474 176.205 176.600 0.131 0.000 1.004 529 K CA -0.655 55.682 56.287 0.084 0.000 0.919 529 K CB 0.658 33.182 32.500 0.040 0.000 1.045 529 K HN 0.420 nan 8.250 nan 0.000 0.471 530 N N 0.051 118.832 118.700 0.134 0.000 2.416 530 N HA 0.147 4.886 4.740 -0.002 0.000 0.246 530 N C -0.761 174.821 175.510 0.121 0.000 1.260 530 N CA -0.056 53.094 53.050 0.165 0.000 0.897 530 N CB 0.636 39.206 38.487 0.138 0.000 1.110 530 N HN 0.741 nan 8.380 nan 0.000 0.439 531 A N 0.951 123.860 122.820 0.148 0.000 2.327 531 A HA 0.294 4.613 4.320 -0.002 0.000 0.283 531 A C -0.141 177.357 177.584 -0.143 0.000 1.127 531 A CA -0.633 51.392 52.037 -0.020 0.000 0.810 531 A CB 0.321 19.303 19.000 -0.030 0.000 1.066 531 A HN 0.594 nan 8.150 nan 0.000 0.492 532 K N 1.011 121.270 120.400 -0.234 0.000 2.297 532 K HA 0.375 4.694 4.320 -0.002 0.000 0.286 532 K C -1.660 174.734 176.600 -0.345 0.000 1.053 532 K CA 0.532 56.715 56.287 -0.173 0.000 0.940 532 K CB 0.501 32.937 32.500 -0.106 0.000 1.019 532 K HN 0.510 nan 8.250 nan 0.000 0.475 533 F N 2.638 122.586 119.950 -0.004 0.000 2.552 533 F HA 0.189 4.715 4.527 -0.001 0.000 0.369 533 F C -0.145 175.617 175.800 -0.063 0.000 1.112 533 F CA -0.894 57.067 58.000 -0.065 0.000 1.129 533 F CB 0.922 39.876 39.000 -0.078 0.000 1.360 533 F HN 0.121 nan 8.300 nan 0.000 0.473 534 V N 3.208 123.167 119.914 0.074 0.000 2.834 534 V HA 0.443 4.562 4.120 -0.002 0.000 0.301 534 V C -0.044 176.087 176.094 0.062 0.000 1.066 534 V CA -0.668 61.665 62.300 0.056 0.000 1.052 534 V CB 1.786 33.621 31.823 0.019 0.000 1.021 534 V HN 0.288 nan 8.190 nan 0.000 0.480 535 V N 2.754 122.719 119.914 0.084 0.000 2.444 535 V HA 0.443 4.562 4.120 -0.002 0.000 0.294 535 V C -0.681 175.456 176.094 0.072 0.000 1.022 535 V CA -0.396 61.967 62.300 0.105 0.000 0.850 535 V CB 1.673 33.568 31.823 0.120 0.000 0.992 535 V HN 0.961 nan 8.190 nan 0.000 0.426 536 D N 3.735 124.173 120.400 0.064 0.000 2.400 536 D HA 0.390 5.029 4.640 -0.002 0.000 0.272 536 D C 0.201 176.544 176.300 0.072 0.000 1.220 536 D CA -0.144 53.895 54.000 0.064 0.000 0.897 536 D CB 1.185 42.020 40.800 0.059 0.000 1.134 536 D HN 0.582 nan 8.370 nan 0.000 0.507 537 Q N 0.824 120.668 119.800 0.073 0.000 2.451 537 Q HA 0.312 4.651 4.340 -0.002 0.000 0.189 537 Q C 0.119 176.160 176.000 0.068 0.000 0.862 537 Q CA -0.371 55.477 55.803 0.075 0.000 0.786 537 Q CB 0.117 28.895 28.738 0.068 0.000 1.295 537 Q HN 0.413 nan 8.270 nan 0.000 0.580 538 S N 0.000 115.733 115.700 0.054 0.000 2.498 538 S HA 0.000 4.469 4.470 -0.002 0.000 0.327 538 S CA 0.000 58.227 58.200 0.046 0.000 1.107 538 S CB 0.000 63.229 63.200 0.048 0.000 0.593 538 S HN 0.000 nan 8.310 nan 0.000 0.517