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 2d4v_1_C DATA FIRST_RESID 3 DATA SEQUENCE THIQKPATGS PLTLLNGVLQ VPDQPIIPFI EGDGIGCDVT PAMRSVVDAA DATA SEQUENCE VAKVYGGQRQ IAWMELFAGQ KAVQLYGEGQ YLPDETMAAI REYKVAIKGP DATA SEQUENCE LETPVGGGIR SLNVAMRQDL DLYVCLRPVR YFEGTPSPMR HPEKVDMVIF DATA SEQUENCE RENSEDIYAG IEWPAGSPEA EKIIRFLREE MGVTKIRFPD SSAIGIKPVS DATA SEQUENCE TEGSERLIRR TIQYALEHGK PSVSLVHKGN IMKFTEGGFR DWGYALAERE DATA SEQUENCE FAGRVFTWRQ KAAISKAEGK AAGQKAEQQA IADGKLIIKD VIADNFLQQI DATA SEQUENCE LLRPEDYSVV ATLNLNGDYV SDALAAEVGG IGMAPGANLS DTHAIFEATH DATA SEQUENCE GTAPDIAGQG KANPSSLILS AVMMLEHLGW GEAAQAIVAA MNATIAAGEV DATA SEQUENCE TGDLAALRGD VPALSTTEFT AALIRRF 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.417 174.700 -0.472 0.000 1.109 3 T CA 0.000 61.963 62.100 -0.228 0.000 1.349 3 T CB 0.000 68.841 68.868 -0.045 0.000 0.612 4 H N 1.849 120.887 119.070 -0.053 0.000 2.785 4 H HA 0.464 5.020 4.556 -0.000 0.000 0.268 4 H C 0.512 175.935 175.328 0.158 0.000 1.153 4 H CA -0.126 55.864 56.048 -0.097 0.000 1.111 4 H CB 0.320 29.794 29.762 -0.481 0.000 1.633 4 H HN 0.570 nan 8.280 nan 0.000 0.576 5 I N -1.049 119.676 120.570 0.258 0.000 2.648 5 I HA 0.501 4.671 4.170 -0.000 0.000 0.304 5 I C -0.947 175.250 176.117 0.134 0.000 1.009 5 I CA -1.185 60.262 61.300 0.244 0.000 1.114 5 I CB 2.172 40.303 38.000 0.218 0.000 1.293 5 I HN -0.076 nan 8.210 nan 0.000 0.449 6 Q N 4.102 123.965 119.800 0.104 0.000 2.320 6 Q HA 0.336 4.676 4.340 -0.000 0.000 0.268 6 Q C -0.995 175.033 176.000 0.048 0.000 1.023 6 Q CA -0.798 55.049 55.803 0.074 0.000 0.744 6 Q CB 2.659 31.444 28.738 0.077 0.000 1.246 6 Q HN 0.521 nan 8.270 nan 0.000 0.462 7 K N 3.685 124.116 120.400 0.051 0.000 2.447 7 K HA 0.125 4.445 4.320 -0.000 0.000 0.281 7 K C -2.113 174.504 176.600 0.028 0.000 1.031 7 K CA -1.171 55.135 56.287 0.032 0.000 1.019 7 K CB 0.335 32.889 32.500 0.090 0.000 0.918 7 K HN 0.250 nan 8.250 nan 0.000 0.476 8 P HA -0.040 nan 4.420 nan 0.000 0.266 8 P C -0.299 177.021 177.300 0.032 0.000 1.195 8 P CA 0.029 63.146 63.100 0.028 0.000 0.768 8 P CB 0.992 32.703 31.700 0.019 0.000 0.838 9 A N 2.451 125.294 122.820 0.038 0.000 2.014 9 A HA 0.005 4.325 4.320 -0.000 0.000 0.218 9 A C 0.853 178.455 177.584 0.031 0.000 1.163 9 A CA 1.338 53.396 52.037 0.035 0.000 0.652 9 A CB -0.564 18.457 19.000 0.035 0.000 0.808 9 A HN 0.567 nan 8.150 nan 0.000 0.449 10 T N -0.360 114.212 114.554 0.030 0.000 2.829 10 T HA 0.611 4.961 4.350 -0.000 0.000 0.280 10 T C -0.119 174.591 174.700 0.017 0.000 0.999 10 T CA 0.347 62.462 62.100 0.024 0.000 0.983 10 T CB 1.559 70.442 68.868 0.026 0.000 0.968 10 T HN 1.378 nan 8.240 nan 0.000 0.446 11 G N 1.539 110.349 108.800 0.016 0.000 2.402 11 G HA2 0.319 4.279 3.960 -0.000 0.000 0.666 11 G HA3 0.319 4.279 3.960 -0.000 0.000 0.666 11 G C -1.026 173.888 174.900 0.024 0.000 1.402 11 G CA -0.969 44.135 45.100 0.006 0.000 0.920 11 G HN 0.764 nan 8.290 nan 0.000 0.651 12 S N 1.816 117.533 115.700 0.027 0.000 2.570 12 S HA 0.882 5.352 4.470 -0.000 0.000 0.286 12 S C -2.776 171.870 174.600 0.076 0.000 1.099 12 S CA -1.095 57.137 58.200 0.054 0.000 0.913 12 S CB 2.878 66.101 63.200 0.038 0.000 1.085 12 S HN 0.698 nan 8.310 nan 0.000 0.480 13 P HA 0.331 nan 4.420 nan 0.000 0.278 13 P C -0.821 176.529 177.300 0.084 0.000 1.238 13 P CA -0.541 62.676 63.100 0.195 0.000 0.794 13 P CB 0.308 32.117 31.700 0.181 0.000 0.955 14 L N 1.611 122.880 121.223 0.076 0.000 2.461 14 L HA 0.304 4.644 4.340 -0.000 0.000 0.272 14 L C 1.290 178.156 176.870 -0.007 0.000 1.197 14 L CA 0.482 55.327 54.840 0.009 0.000 0.836 14 L CB -0.063 41.992 42.059 -0.007 0.000 1.105 14 L HN 0.517 nan 8.230 nan 0.000 0.477 15 T N 0.007 114.546 114.554 -0.024 0.000 2.864 15 T HA 0.722 5.072 4.350 -0.000 0.000 0.289 15 T C -0.659 174.017 174.700 -0.041 0.000 1.082 15 T CA -0.957 61.122 62.100 -0.034 0.000 1.009 15 T CB 1.587 70.442 68.868 -0.023 0.000 1.234 15 T HN 0.321 nan 8.240 nan 0.000 0.526 16 L N 1.407 122.607 121.223 -0.038 0.000 2.333 16 L HA 0.567 4.907 4.340 -0.000 0.000 0.280 16 L C -0.830 176.031 176.870 -0.015 0.000 1.004 16 L CA -1.059 53.762 54.840 -0.031 0.000 0.820 16 L CB 1.911 43.950 42.059 -0.032 0.000 1.247 16 L HN 0.490 nan 8.230 nan 0.000 0.416 17 L N 5.295 126.511 121.223 -0.012 0.000 2.318 17 L HA 0.399 4.739 4.340 -0.000 0.000 0.277 17 L C -0.065 176.805 176.870 0.000 0.000 1.008 17 L CA -0.112 54.725 54.840 -0.005 0.000 0.846 17 L CB 0.872 42.928 42.059 -0.006 0.000 1.220 17 L HN 0.828 nan 8.230 nan 0.000 0.423 18 N N 4.437 123.140 118.700 0.006 0.000 2.686 18 N HA -0.234 4.506 4.740 -0.000 0.000 0.261 18 N C 1.050 176.569 175.510 0.016 0.000 1.001 18 N CA 0.827 53.883 53.050 0.012 0.000 0.764 18 N CB -0.497 37.996 38.487 0.009 0.000 0.898 18 N HN 1.135 nan 8.380 nan 0.000 0.544 19 G N -1.899 106.912 108.800 0.019 0.000 2.212 19 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.266 19 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.266 19 G C 0.186 175.093 174.900 0.012 0.000 0.978 19 G CA 0.506 45.622 45.100 0.027 0.000 0.632 19 G HN 0.417 nan 8.290 nan 0.000 0.537 20 V N 1.593 121.506 119.914 -0.002 0.000 2.407 20 V HA 0.606 4.726 4.120 -0.000 0.000 0.278 20 V C 0.705 176.777 176.094 -0.037 0.000 1.037 20 V CA -0.846 61.443 62.300 -0.018 0.000 0.900 20 V CB 1.623 33.439 31.823 -0.012 0.000 0.983 20 V HN 0.357 nan 8.190 nan 0.000 0.459 21 L N 5.529 126.711 121.223 -0.068 0.000 2.410 21 L HA 0.274 4.614 4.340 -0.000 0.000 0.273 21 L C 0.231 177.064 176.870 -0.061 0.000 1.144 21 L CA 0.632 55.422 54.840 -0.083 0.000 0.863 21 L CB 0.663 42.630 42.059 -0.153 0.000 1.140 21 L HN 0.613 nan 8.230 nan 0.000 0.463 22 Q N 4.935 124.707 119.800 -0.045 0.000 2.314 22 Q HA 0.408 4.748 4.340 -0.000 0.000 0.259 22 Q C -1.139 174.844 176.000 -0.028 0.000 0.951 22 Q CA -0.453 55.334 55.803 -0.027 0.000 0.909 22 Q CB 1.955 30.683 28.738 -0.017 0.000 1.236 22 Q HN 0.416 nan 8.270 nan 0.000 0.444 23 V N 5.028 124.933 119.914 -0.015 0.000 2.326 23 V HA 0.293 4.412 4.120 -0.000 0.000 0.281 23 V C -2.053 174.073 176.094 0.053 0.000 1.015 23 V CA -1.679 60.611 62.300 -0.016 0.000 0.823 23 V CB 1.277 33.072 31.823 -0.048 0.000 1.009 23 V HN 0.582 nan 8.190 nan 0.000 0.436 24 P HA 0.165 nan 4.420 nan 0.000 0.270 24 P C 0.525 177.917 177.300 0.153 0.000 1.223 24 P CA -0.221 62.918 63.100 0.064 0.000 0.785 24 P CB 0.744 32.466 31.700 0.036 0.000 0.923 25 D N 0.110 120.574 120.400 0.107 0.000 2.263 25 D HA -0.112 4.528 4.640 -0.000 0.000 0.208 25 D C 0.294 176.692 176.300 0.162 0.000 0.971 25 D CA 1.426 55.485 54.000 0.098 0.000 0.867 25 D CB 0.140 40.913 40.800 -0.045 0.000 0.929 25 D HN 0.505 nan 8.370 nan 0.000 0.492 26 Q N 0.660 120.524 119.800 0.106 0.000 2.907 26 Q HA 0.241 4.581 4.340 -0.000 0.000 0.262 26 Q C -2.521 173.488 176.000 0.015 0.000 0.997 26 Q CA -1.563 54.284 55.803 0.073 0.000 0.797 26 Q CB 2.304 31.061 28.738 0.032 0.000 1.228 26 Q HN 0.109 nan 8.270 nan 0.000 0.466 27 P HA 0.188 nan 4.420 nan 0.000 0.284 27 P C -0.203 176.996 177.300 -0.169 0.000 1.253 27 P CA -0.255 62.782 63.100 -0.106 0.000 0.800 27 P CB 1.334 32.900 31.700 -0.223 0.000 0.961 28 I N 3.767 124.262 120.570 -0.124 0.000 2.452 28 I HA 0.161 4.331 4.170 -0.000 0.000 0.287 28 I C 0.410 176.395 176.117 -0.219 0.000 1.079 28 I CA -0.019 61.166 61.300 -0.192 0.000 1.387 28 I CB 0.174 38.035 38.000 -0.231 0.000 1.404 28 I HN 0.092 nan 8.210 nan 0.000 0.522 29 I N 8.968 129.389 120.570 -0.247 0.000 2.420 29 I HA 0.345 4.515 4.170 -0.000 0.000 0.282 29 I C -2.365 173.785 176.117 0.054 0.000 1.019 29 I CA -2.591 58.611 61.300 -0.162 0.000 1.130 29 I CB 1.112 38.878 38.000 -0.391 0.000 1.262 29 I HN 0.161 nan 8.210 nan 0.000 0.454 30 P HA 0.241 nan 4.420 nan 0.000 0.271 30 P C -0.842 176.602 177.300 0.240 0.000 1.218 30 P CA 0.231 63.363 63.100 0.053 0.000 0.780 30 P CB 0.377 32.071 31.700 -0.009 0.000 0.901 31 F N 0.757 120.748 119.950 0.069 0.000 2.601 31 F HA 0.741 5.267 4.527 -0.000 0.000 0.309 31 F C -1.453 174.314 175.800 -0.055 0.000 1.089 31 F CA -1.381 56.655 58.000 0.059 0.000 0.940 31 F CB 1.090 40.144 39.000 0.090 0.000 1.273 31 F HN 0.034 nan 8.300 nan 0.000 0.450 32 I N 2.751 123.340 120.570 0.032 0.000 2.433 32 I HA 0.267 4.437 4.170 -0.000 0.000 0.292 32 I C 0.948 177.134 176.117 0.114 0.000 1.001 32 I CA -0.472 60.776 61.300 -0.086 0.000 1.119 32 I CB 2.036 40.007 38.000 -0.049 0.000 1.289 32 I HN 0.969 nan 8.210 nan 0.000 0.438 33 E N 4.686 124.946 120.200 0.100 0.000 2.031 33 E HA 0.020 4.370 4.350 -0.000 0.000 0.193 33 E C 0.785 177.452 176.600 0.112 0.000 0.994 33 E CA 1.110 57.613 56.400 0.170 0.000 0.800 33 E CB 0.121 29.919 29.700 0.164 0.000 0.752 33 E HN 0.902 nan 8.360 nan 0.000 0.447 34 G N 0.677 109.532 108.800 0.092 0.000 2.663 34 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.686 34 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.686 34 G C -1.120 173.831 174.900 0.084 0.000 1.246 34 G CA -0.294 44.854 45.100 0.081 0.000 0.795 34 G HN 0.220 nan 8.290 nan 0.000 0.627 35 D N 0.479 120.926 120.400 0.078 0.000 2.377 35 D HA 0.551 5.191 4.640 -0.000 0.000 0.245 35 D C 1.587 177.927 176.300 0.065 0.000 1.196 35 D CA 1.440 55.483 54.000 0.072 0.000 0.962 35 D CB 0.744 41.585 40.800 0.069 0.000 1.127 35 D HN 1.700 nan 8.370 nan 0.000 0.471 36 G N 0.932 109.764 108.800 0.053 0.000 2.660 36 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.321 36 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.321 36 G C 1.210 176.134 174.900 0.040 0.000 1.246 36 G CA 0.741 45.866 45.100 0.041 0.000 1.000 36 G HN 0.712 nan 8.290 nan 0.000 0.550 37 I N 0.379 120.971 120.570 0.036 0.000 3.241 37 I HA 0.249 4.419 4.170 -0.000 0.000 0.280 37 I C 2.354 178.505 176.117 0.057 0.000 1.320 37 I CA 1.650 62.965 61.300 0.025 0.000 1.413 37 I CB -0.904 37.083 38.000 -0.021 0.000 1.060 37 I HN 0.610 nan 8.210 nan 0.000 0.500 38 G N 2.098 110.946 108.800 0.081 0.000 2.469 38 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.220 38 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.220 38 G C 1.729 176.665 174.900 0.060 0.000 1.136 38 G CA 1.142 46.292 45.100 0.084 0.000 0.759 38 G HN 0.783 nan 8.290 nan 0.000 0.562 39 C N -0.651 118.680 119.300 0.051 0.000 2.449 39 C HA 0.130 4.590 4.460 -0.000 0.000 0.283 39 C C 1.904 176.905 174.990 0.018 0.000 1.453 39 C CA 0.650 59.692 59.018 0.040 0.000 1.779 39 C CB -0.467 27.298 27.740 0.041 0.000 1.779 39 C HN 0.336 nan 8.230 nan 0.000 0.546 40 D N 1.590 122.000 120.400 0.016 0.000 2.290 40 D HA -0.022 4.618 4.640 -0.000 0.000 0.224 40 D C 2.586 178.886 176.300 0.001 0.000 0.967 40 D CA 1.958 55.959 54.000 0.003 0.000 0.893 40 D CB -0.270 40.527 40.800 -0.005 0.000 1.037 40 D HN 0.574 nan 8.370 nan 0.000 0.477 41 V N -0.507 119.418 119.914 0.019 0.000 2.591 41 V HA -0.069 4.051 4.120 -0.000 0.000 0.249 41 V C 2.209 178.297 176.094 -0.011 0.000 1.053 41 V CA 1.473 63.790 62.300 0.028 0.000 1.068 41 V CB -0.991 30.886 31.823 0.090 0.000 0.689 41 V HN -0.021 nan 8.190 nan 0.000 0.462 42 T N 1.690 116.230 114.554 -0.024 0.000 2.674 42 T HA -0.022 4.328 4.350 -0.000 0.000 0.265 42 T C 0.052 174.611 174.700 -0.236 0.000 1.039 42 T CA 2.393 64.430 62.100 -0.104 0.000 1.150 42 T CB -1.263 67.583 68.868 -0.036 0.000 0.864 42 T HN 0.534 nan 8.240 nan 0.000 0.427 43 P HA 0.034 nan 4.420 nan 0.000 0.218 43 P C 1.331 178.518 177.300 -0.189 0.000 1.149 43 P CA 1.118 64.079 63.100 -0.232 0.000 0.817 43 P CB -0.225 31.398 31.700 -0.128 0.000 0.785 44 A N 0.227 122.982 122.820 -0.108 0.000 1.898 44 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 44 A C 2.248 179.790 177.584 -0.070 0.000 1.181 44 A CA 1.890 53.892 52.037 -0.058 0.000 0.620 44 A CB -1.510 17.492 19.000 0.004 0.000 0.819 44 A HN 0.084 nan 8.150 nan 0.000 0.442 45 M N -0.073 119.468 119.600 -0.099 0.000 2.117 45 M HA -0.142 4.338 4.480 -0.000 0.000 0.262 45 M C 2.077 178.273 176.300 -0.173 0.000 1.065 45 M CA 1.769 57.014 55.300 -0.090 0.000 1.114 45 M CB -0.732 31.815 32.600 -0.089 0.000 1.361 45 M HN 0.440 nan 8.290 nan 0.000 0.408 46 R N -0.564 119.694 120.500 -0.404 0.000 2.092 46 R HA -0.057 4.283 4.340 -0.000 0.000 0.231 46 R C 2.310 178.479 176.300 -0.218 0.000 1.119 46 R CA 1.736 57.475 56.100 -0.602 0.000 0.970 46 R CB -0.412 29.182 30.300 -1.177 0.000 0.864 46 R HN 0.401 nan 8.270 nan 0.000 0.440 47 S N 0.353 115.956 115.700 -0.161 0.000 2.368 47 S HA -0.104 4.366 4.470 -0.000 0.000 0.225 47 S C 2.096 176.717 174.600 0.034 0.000 1.030 47 S CA 1.264 59.434 58.200 -0.050 0.000 0.999 47 S CB -0.115 63.057 63.200 -0.047 0.000 0.844 47 S HN 0.074 nan 8.310 nan 0.000 0.459 48 V N 1.269 121.214 119.914 0.051 0.000 2.307 48 V HA -0.099 4.021 4.120 -0.000 0.000 0.245 48 V C 2.306 178.483 176.094 0.138 0.000 1.045 48 V CA 1.260 63.653 62.300 0.155 0.000 1.024 48 V CB -0.680 31.224 31.823 0.135 0.000 0.651 48 V HN 0.323 nan 8.190 nan 0.000 0.449 49 V N 0.275 120.262 119.914 0.122 0.000 2.343 49 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 49 V C 2.284 178.454 176.094 0.126 0.000 1.051 49 V CA 2.205 64.599 62.300 0.156 0.000 1.036 49 V CB -0.690 31.319 31.823 0.311 0.000 0.654 49 V HN 0.544 nan 8.190 nan 0.000 0.451 50 D N 0.345 120.846 120.400 0.169 0.000 2.144 50 D HA -0.105 4.535 4.640 -0.000 0.000 0.199 50 D C 2.208 178.513 176.300 0.010 0.000 0.984 50 D CA 1.604 55.690 54.000 0.143 0.000 0.834 50 D CB -0.320 40.583 40.800 0.172 0.000 0.955 50 D HN 0.440 nan 8.370 nan 0.000 0.465 51 A N 0.825 123.627 122.820 -0.031 0.000 1.930 51 A HA 0.010 4.330 4.320 -0.000 0.000 0.217 51 A C 2.278 179.560 177.584 -0.503 0.000 1.175 51 A CA 2.014 53.981 52.037 -0.117 0.000 0.627 51 A CB -0.619 18.444 19.000 0.104 0.000 0.815 51 A HN 0.228 nan 8.150 nan 0.000 0.443 52 A N -0.529 121.802 122.820 -0.815 0.000 1.873 52 A HA 0.017 4.337 4.320 -0.000 0.000 0.215 52 A C 2.219 179.507 177.584 -0.493 0.000 1.186 52 A CA 1.717 53.098 52.037 -1.094 0.000 0.616 52 A CB -0.977 17.545 19.000 -0.797 0.000 0.823 52 A HN 0.371 nan 8.150 nan 0.000 0.442 53 V N 0.007 119.793 119.914 -0.214 0.000 2.332 53 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 53 V C 3.062 179.100 176.094 -0.095 0.000 1.055 53 V CA 1.993 64.264 62.300 -0.048 0.000 1.038 53 V CB -1.249 30.672 31.823 0.163 0.000 0.651 53 V HN 0.621 nan 8.190 nan 0.000 0.450 54 A N 0.070 122.831 122.820 -0.098 0.000 1.902 54 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 54 A C 2.229 179.740 177.584 -0.122 0.000 1.181 54 A CA 2.367 54.359 52.037 -0.075 0.000 0.623 54 A CB -0.488 18.484 19.000 -0.047 0.000 0.818 54 A HN 0.475 nan 8.150 nan 0.000 0.443 55 K N 0.236 120.518 120.400 -0.197 0.000 2.001 55 K HA -0.098 4.222 4.320 -0.000 0.000 0.208 55 K C 1.882 178.348 176.600 -0.223 0.000 1.048 55 K CA 2.145 58.325 56.287 -0.178 0.000 0.932 55 K CB -0.862 31.529 32.500 -0.182 0.000 0.715 55 K HN 0.520 nan 8.250 nan 0.000 0.437 56 V N -1.350 118.339 119.914 -0.375 0.000 2.719 56 V HA -0.026 4.093 4.120 -0.000 0.000 0.252 56 V C 1.211 176.972 176.094 -0.555 0.000 1.065 56 V CA 1.126 63.120 62.300 -0.511 0.000 1.086 56 V CB -0.759 30.648 31.823 -0.694 0.000 0.700 56 V HN 0.241 nan 8.190 nan 0.000 0.467 57 Y N 1.593 121.788 120.300 -0.174 0.000 2.467 57 Y HA 0.652 5.202 4.550 -0.000 0.000 0.250 57 Y C 2.013 177.825 175.900 -0.147 0.000 1.155 57 Y CA -0.589 57.392 58.100 -0.198 0.000 1.249 57 Y CB -0.099 38.169 38.460 -0.320 0.000 1.146 57 Y HN 0.368 nan 8.280 nan 0.000 0.524 58 G N 0.492 109.275 108.800 -0.029 0.000 2.225 58 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.267 58 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.267 58 G C 1.278 176.169 174.900 -0.015 0.000 1.024 58 G CA 0.592 45.676 45.100 -0.026 0.000 0.784 58 G HN 1.193 nan 8.290 nan 0.000 0.507 59 G N -1.740 107.055 108.800 -0.010 0.000 2.175 59 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.244 59 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.244 59 G C 1.032 175.919 174.900 -0.023 0.000 0.982 59 G CA 1.134 46.228 45.100 -0.010 0.000 0.641 59 G HN 0.913 nan 8.290 nan 0.000 0.527 60 Q N -0.432 119.347 119.800 -0.035 0.000 2.297 60 Q HA 0.074 4.414 4.340 -0.000 0.000 0.204 60 Q C 1.385 177.304 176.000 -0.134 0.000 0.962 60 Q CA 0.772 56.530 55.803 -0.075 0.000 0.879 60 Q CB 0.264 28.951 28.738 -0.086 0.000 0.947 60 Q HN 0.600 nan 8.270 nan 0.000 0.462 61 R N -0.026 120.375 120.500 -0.165 0.000 2.854 61 R HA 0.502 4.842 4.340 -0.000 0.000 0.271 61 R C -1.014 175.258 176.300 -0.048 0.000 0.994 61 R CA -0.473 55.488 56.100 -0.231 0.000 0.945 61 R CB 1.827 31.647 30.300 -0.800 0.000 1.194 61 R HN -0.094 nan 8.270 nan 0.000 0.476 62 Q N 1.933 121.782 119.800 0.082 0.000 2.430 62 Q HA 0.207 4.547 4.340 -0.000 0.000 0.253 62 Q C -1.370 174.683 176.000 0.089 0.000 0.945 62 Q CA -0.587 55.279 55.803 0.105 0.000 0.964 62 Q CB 1.231 30.000 28.738 0.051 0.000 1.460 62 Q HN 0.431 nan 8.270 nan 0.000 0.428 63 I N 2.749 123.311 120.570 -0.014 0.000 2.598 63 I HA 0.193 4.363 4.170 -0.000 0.000 0.284 63 I C 0.392 176.260 176.117 -0.414 0.000 1.140 63 I CA 0.447 61.509 61.300 -0.397 0.000 1.420 63 I CB 0.497 37.926 38.000 -0.952 0.000 1.387 63 I HN 0.743 nan 8.210 nan 0.000 0.553 64 A N 8.159 130.778 122.820 -0.334 0.000 2.621 64 A HA 0.362 4.682 4.320 -0.000 0.000 0.329 64 A C -0.601 176.883 177.584 -0.167 0.000 1.458 64 A CA -0.599 51.341 52.037 -0.162 0.000 1.052 64 A CB -0.353 18.598 19.000 -0.081 0.000 1.142 64 A HN 0.659 nan 8.150 nan 0.000 0.523 65 W N 1.793 123.117 121.300 0.039 0.000 2.190 65 W HA 0.468 5.128 4.660 -0.000 0.000 0.330 65 W C 0.483 177.091 176.519 0.147 0.000 1.299 65 W CA -0.033 57.381 57.345 0.115 0.000 1.215 65 W CB 0.634 30.151 29.460 0.095 0.000 1.147 65 W HN 0.540 nan 8.180 nan 0.000 0.563 66 M N 3.045 122.877 119.600 0.386 0.000 2.151 66 M HA 0.229 4.709 4.480 -0.000 0.000 0.290 66 M C -0.751 175.425 176.300 -0.207 0.000 0.965 66 M CA -0.518 54.828 55.300 0.076 0.000 0.930 66 M CB 1.307 33.827 32.600 -0.132 0.000 1.560 66 M HN 0.519 nan 8.290 nan 0.000 0.438 67 E N 4.801 124.743 120.200 -0.429 0.000 2.316 67 E HA 0.407 4.757 4.350 -0.000 0.000 0.275 67 E C -1.559 174.512 176.600 -0.882 0.000 1.029 67 E CA -0.165 55.569 56.400 -1.111 0.000 0.871 67 E CB 0.845 29.985 29.700 -0.934 0.000 1.022 67 E HN 0.698 nan 8.360 nan 0.000 0.418 68 L N 3.986 124.641 121.223 -0.947 0.000 2.303 68 L HA 0.559 4.899 4.340 -0.000 0.000 0.266 68 L C -0.720 175.614 176.870 -0.893 0.000 1.011 68 L CA -1.086 53.357 54.840 -0.661 0.000 0.818 68 L CB 1.130 43.026 42.059 -0.271 0.000 1.326 68 L HN 0.535 nan 8.230 nan 0.000 0.435 69 F N 0.422 120.349 119.950 -0.038 0.000 2.532 69 F HA 0.812 5.339 4.527 -0.000 0.000 0.321 69 F C 0.194 175.945 175.800 -0.082 0.000 1.089 69 F CA -0.583 57.398 58.000 -0.033 0.000 0.926 69 F CB 2.104 41.151 39.000 0.078 0.000 1.168 69 F HN 0.464 nan 8.300 nan 0.000 0.459 70 A N 1.314 124.213 122.820 0.131 0.000 2.606 70 A HA 0.831 5.151 4.320 -0.000 0.000 0.293 70 A C -0.047 177.601 177.584 0.107 0.000 1.082 70 A CA -0.207 51.873 52.037 0.072 0.000 0.685 70 A CB 1.018 20.042 19.000 0.041 0.000 1.284 70 A HN 1.755 nan 8.150 nan 0.000 0.408 71 G N 0.343 109.229 108.800 0.143 0.000 2.528 71 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.262 71 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.262 71 G C 0.735 175.714 174.900 0.131 0.000 1.200 71 G CA 0.819 46.047 45.100 0.213 0.000 0.951 71 G HN 1.045 nan 8.290 nan 0.000 0.566 72 Q N -0.276 119.595 119.800 0.119 0.000 2.096 72 Q HA -0.073 4.267 4.340 -0.000 0.000 0.204 72 Q C 2.682 178.685 176.000 0.006 0.000 0.982 72 Q CA 1.729 57.559 55.803 0.046 0.000 0.850 72 Q CB -0.134 28.642 28.738 0.065 0.000 0.901 72 Q HN 0.564 nan 8.270 nan 0.000 0.422 73 K N 0.154 120.590 120.400 0.059 0.000 2.097 73 K HA -0.114 4.206 4.320 -0.000 0.000 0.206 73 K C 2.021 178.634 176.600 0.022 0.000 1.049 73 K CA 0.992 57.320 56.287 0.068 0.000 0.933 73 K CB -0.057 32.561 32.500 0.196 0.000 0.717 73 K HN 0.170 nan 8.250 nan 0.000 0.442 74 A N 0.511 123.370 122.820 0.064 0.000 1.898 74 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 74 A C 2.198 179.762 177.584 -0.033 0.000 1.181 74 A CA 1.195 53.255 52.037 0.039 0.000 0.620 74 A CB -0.505 18.465 19.000 -0.050 0.000 0.819 74 A HN 0.115 nan 8.150 nan 0.000 0.442 75 V N 0.101 119.918 119.914 -0.160 0.000 2.332 75 V HA -0.332 3.788 4.120 -0.000 0.000 0.248 75 V C 2.723 178.731 176.094 -0.143 0.000 1.055 75 V CA 2.370 64.530 62.300 -0.233 0.000 1.038 75 V CB -0.769 30.814 31.823 -0.401 0.000 0.651 75 V HN 0.757 nan 8.190 nan 0.000 0.450 76 Q N -0.610 119.115 119.800 -0.125 0.000 2.084 76 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 76 Q C 2.183 178.070 176.000 -0.187 0.000 0.978 76 Q CA 1.784 57.511 55.803 -0.128 0.000 0.844 76 Q CB -0.041 28.634 28.738 -0.104 0.000 0.898 76 Q HN 0.603 nan 8.270 nan 0.000 0.426 77 L N -1.347 119.723 121.223 -0.255 0.000 2.249 77 L HA -0.047 4.293 4.340 -0.000 0.000 0.207 77 L C 1.541 178.021 176.870 -0.649 0.000 1.090 77 L CA 0.471 55.005 54.840 -0.510 0.000 0.802 77 L CB -0.034 41.557 42.059 -0.780 0.000 0.947 77 L HN 0.246 nan 8.230 nan 0.000 0.453 78 Y N -0.141 119.915 120.300 -0.407 0.000 2.479 78 Y HA 0.401 4.951 4.550 -0.000 0.000 0.283 78 Y C 1.286 177.099 175.900 -0.144 0.000 1.109 78 Y CA 0.332 58.276 58.100 -0.259 0.000 1.239 78 Y CB 0.492 38.866 38.460 -0.143 0.000 1.108 78 Y HN 0.108 nan 8.280 nan 0.000 0.548 79 G N 0.446 109.241 108.800 -0.008 0.000 2.340 79 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.527 79 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.527 79 G C -1.210 173.647 174.900 -0.072 0.000 1.381 79 G CA -0.794 44.286 45.100 -0.033 0.000 1.001 79 G HN 0.106 nan 8.290 nan 0.000 0.626 80 E N -0.028 120.134 120.200 -0.064 0.000 2.452 80 E HA 0.388 4.738 4.350 -0.000 0.000 0.261 80 E C 1.454 178.010 176.600 -0.073 0.000 0.987 80 E CA 1.037 57.389 56.400 -0.080 0.000 0.926 80 E CB 0.178 29.858 29.700 -0.033 0.000 0.934 80 E HN 2.501 nan 8.360 nan 0.000 0.452 81 G N 3.691 112.418 108.800 -0.121 0.000 2.212 81 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.266 81 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.266 81 G C 0.263 175.139 174.900 -0.039 0.000 0.978 81 G CA 0.419 45.522 45.100 0.005 0.000 0.632 81 G HN 0.566 nan 8.290 nan 0.000 0.537 82 Q N 0.348 120.042 119.800 -0.178 0.000 3.247 82 Q HA 0.426 4.766 4.340 -0.000 0.000 0.326 82 Q C 0.833 176.715 176.000 -0.196 0.000 1.402 82 Q CA -0.334 55.397 55.803 -0.120 0.000 0.994 82 Q CB -0.446 28.257 28.738 -0.059 0.000 1.647 82 Q HN 0.688 nan 8.270 nan 0.000 0.523 83 Y N -0.038 120.233 120.300 -0.049 0.000 2.373 83 Y HA -0.081 4.469 4.550 -0.000 0.000 0.293 83 Y C 0.914 176.772 175.900 -0.070 0.000 1.129 83 Y CA 0.555 58.628 58.100 -0.045 0.000 1.226 83 Y CB 0.637 39.081 38.460 -0.027 0.000 1.000 83 Y HN 0.209 nan 8.280 nan 0.000 0.549 84 L N 1.181 122.438 121.223 0.057 0.000 2.481 84 L HA 0.477 4.817 4.340 -0.000 0.000 0.255 84 L C -2.826 173.992 176.870 -0.085 0.000 1.192 84 L CA -2.320 52.512 54.840 -0.014 0.000 0.924 84 L CB 0.446 42.519 42.059 0.023 0.000 1.179 84 L HN -0.250 nan 8.230 nan 0.000 0.491 85 P HA 0.107 nan 4.420 nan 0.000 0.266 85 P C 0.316 177.556 177.300 -0.099 0.000 1.195 85 P CA 0.045 62.986 63.100 -0.266 0.000 0.768 85 P CB 0.780 32.045 31.700 -0.725 0.000 0.838 86 D N 2.112 122.495 120.400 -0.029 0.000 2.133 86 D HA -0.205 4.434 4.640 -0.000 0.000 0.195 86 D C 1.598 177.916 176.300 0.030 0.000 0.997 86 D CA 1.530 55.535 54.000 0.009 0.000 0.840 86 D CB -0.148 40.670 40.800 0.030 0.000 0.947 86 D HN 0.680 nan 8.370 nan 0.000 0.452 87 E N 0.233 120.470 120.200 0.063 0.000 2.268 87 E HA -0.122 4.228 4.350 -0.000 0.000 0.195 87 E C 1.636 178.292 176.600 0.093 0.000 0.995 87 E CA 1.132 57.595 56.400 0.106 0.000 0.836 87 E CB -0.265 29.546 29.700 0.184 0.000 0.763 87 E HN 0.019 nan 8.360 nan 0.000 0.491 88 T N 0.924 115.503 114.554 0.042 0.000 2.737 88 T HA -0.072 4.278 4.350 -0.000 0.000 0.265 88 T C 1.739 176.460 174.700 0.036 0.000 1.038 88 T CA 1.474 63.592 62.100 0.030 0.000 1.144 88 T CB -0.035 68.817 68.868 -0.026 0.000 0.866 88 T HN 0.169 nan 8.240 nan 0.000 0.434 89 M N 1.150 120.761 119.600 0.020 0.000 2.175 89 M HA 0.142 4.622 4.480 -0.000 0.000 0.264 89 M C 2.762 179.081 176.300 0.032 0.000 1.063 89 M CA 0.993 56.304 55.300 0.018 0.000 1.119 89 M CB -1.589 31.011 32.600 0.000 0.000 1.377 89 M HN 0.279 nan 8.290 nan 0.000 0.415 90 A N 0.434 123.278 122.820 0.040 0.000 1.902 90 A HA -0.009 4.311 4.320 -0.000 0.000 0.217 90 A C 2.469 180.092 177.584 0.065 0.000 1.181 90 A CA 2.176 54.238 52.037 0.041 0.000 0.623 90 A CB -0.912 18.114 19.000 0.044 0.000 0.818 90 A HN 0.465 nan 8.150 nan 0.000 0.443 91 A N -0.104 122.786 122.820 0.116 0.000 1.902 91 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 91 A C 2.114 179.856 177.584 0.263 0.000 1.181 91 A CA 1.518 53.693 52.037 0.229 0.000 0.623 91 A CB -0.597 18.553 19.000 0.250 0.000 0.818 91 A HN 0.498 nan 8.150 nan 0.000 0.443 92 I N -0.999 119.676 120.570 0.175 0.000 2.286 92 I HA -0.247 3.922 4.170 -0.000 0.000 0.248 92 I C 2.760 179.015 176.117 0.230 0.000 1.115 92 I CA 1.145 62.556 61.300 0.185 0.000 1.392 92 I CB -0.316 37.753 38.000 0.115 0.000 1.065 92 I HN 0.292 nan 8.210 nan 0.000 0.418 93 R N 0.381 120.970 120.500 0.149 0.000 2.096 93 R HA -0.199 4.141 4.340 -0.000 0.000 0.235 93 R C 2.220 178.657 176.300 0.229 0.000 1.127 93 R CA 1.499 57.703 56.100 0.174 0.000 0.968 93 R CB -0.260 30.055 30.300 0.025 0.000 0.861 93 R HN 0.451 nan 8.270 nan 0.000 0.440 94 E N -0.132 120.086 120.200 0.031 0.000 2.072 94 E HA -0.155 4.195 4.350 -0.000 0.000 0.190 94 E C 1.034 177.463 176.600 -0.284 0.000 0.982 94 E CA 0.989 57.276 56.400 -0.187 0.000 0.803 94 E CB 0.096 29.548 29.700 -0.412 0.000 0.755 94 E HN 0.404 nan 8.360 nan 0.000 0.453 95 Y N 0.129 120.460 120.300 0.052 0.000 2.482 95 Y HA 0.088 4.638 4.550 -0.000 0.000 0.270 95 Y C 0.833 176.725 175.900 -0.014 0.000 1.152 95 Y CA 0.105 58.215 58.100 0.016 0.000 1.292 95 Y CB 0.690 39.163 38.460 0.022 0.000 1.070 95 Y HN -0.070 nan 8.280 nan 0.000 0.528 96 K N -1.610 118.829 120.400 0.066 0.000 3.571 96 K HA -0.186 4.134 4.320 -0.000 0.000 0.275 96 K C -0.428 176.180 176.600 0.014 0.000 1.034 96 K CA 1.014 57.209 56.287 -0.154 0.000 1.116 96 K CB -1.997 30.384 32.500 -0.198 0.000 1.386 96 K HN 0.183 nan 8.250 nan 0.000 0.466 97 V N -0.229 119.754 119.914 0.116 0.000 3.049 97 V HA 0.867 4.987 4.120 -0.000 0.000 0.309 97 V C -0.780 175.413 176.094 0.164 0.000 1.148 97 V CA -0.394 61.998 62.300 0.153 0.000 0.990 97 V CB 2.291 34.223 31.823 0.182 0.000 1.039 97 V HN 0.499 nan 8.190 nan 0.000 0.430 98 A N 3.119 126.056 122.820 0.196 0.000 2.608 98 A HA 0.913 5.233 4.320 -0.000 0.000 0.292 98 A C -1.856 175.886 177.584 0.262 0.000 1.066 98 A CA -0.417 51.737 52.037 0.194 0.000 0.676 98 A CB 1.669 20.747 19.000 0.130 0.000 1.277 98 A HN 1.015 nan 8.150 nan 0.000 0.413 99 I N 0.797 121.529 120.570 0.270 0.000 2.533 99 I HA 0.626 4.795 4.170 -0.000 0.000 0.290 99 I C -0.739 175.501 176.117 0.204 0.000 1.056 99 I CA -0.512 60.949 61.300 0.268 0.000 1.057 99 I CB 1.703 39.881 38.000 0.297 0.000 1.240 99 I HN 0.801 nan 8.210 nan 0.000 0.423 100 K N 5.832 126.312 120.400 0.132 0.000 2.375 100 K HA 0.790 5.109 4.320 -0.000 0.000 0.249 100 K C -0.418 176.217 176.600 0.058 0.000 0.942 100 K CA -0.842 55.500 56.287 0.092 0.000 0.806 100 K CB 2.000 34.529 32.500 0.049 0.000 1.227 100 K HN 0.564 nan 8.250 nan 0.000 0.430 101 G N 1.446 110.283 108.800 0.063 0.000 2.588 101 G HA2 0.408 4.367 3.960 -0.000 0.000 0.281 101 G HA3 0.408 4.367 3.960 -0.000 0.000 0.281 101 G C -2.411 172.503 174.900 0.022 0.000 1.236 101 G CA -1.476 43.651 45.100 0.045 0.000 0.969 101 G HN 0.494 nan 8.290 nan 0.000 0.504 102 P HA 0.274 nan 4.420 nan 0.000 0.272 102 P C -0.633 176.693 177.300 0.044 0.000 1.230 102 P CA -0.051 63.062 63.100 0.021 0.000 0.788 102 P CB 1.002 32.746 31.700 0.073 0.000 0.949 103 L N 1.009 122.252 121.223 0.035 0.000 2.386 103 L HA 0.395 4.735 4.340 -0.000 0.000 0.271 103 L C 0.867 177.756 176.870 0.032 0.000 0.993 103 L CA -0.941 53.924 54.840 0.041 0.000 0.819 103 L CB 1.918 43.998 42.059 0.036 0.000 1.294 103 L HN 0.435 nan 8.230 nan 0.000 0.414 104 E N 1.330 121.552 120.200 0.036 0.000 2.313 104 E HA 0.369 4.719 4.350 -0.000 0.000 0.276 104 E C -1.190 175.404 176.600 -0.011 0.000 1.031 104 E CA -0.485 55.927 56.400 0.020 0.000 0.857 104 E CB 1.378 31.095 29.700 0.029 0.000 1.040 104 E HN 0.409 nan 8.360 nan 0.000 0.408 105 T N 5.197 119.737 114.554 -0.024 0.000 2.815 105 T HA 0.327 4.677 4.350 -0.000 0.000 0.289 105 T C -2.312 172.357 174.700 -0.052 0.000 1.000 105 T CA -1.337 60.730 62.100 -0.055 0.000 0.958 105 T CB 1.203 70.038 68.868 -0.055 0.000 0.944 105 T HN 0.487 nan 8.240 nan 0.000 0.442 106 P HA 0.314 nan 4.420 nan 0.000 0.269 106 P C -0.727 176.541 177.300 -0.054 0.000 1.215 106 P CA -0.480 62.590 63.100 -0.051 0.000 0.780 106 P CB 0.520 32.186 31.700 -0.057 0.000 0.898 107 V N 1.299 121.188 119.914 -0.041 0.000 2.472 107 V HA 0.502 4.622 4.120 -0.000 0.000 0.290 107 V C 1.294 177.364 176.094 -0.040 0.000 1.037 107 V CA 0.731 63.006 62.300 -0.042 0.000 0.908 107 V CB 0.498 32.303 31.823 -0.031 0.000 0.985 107 V HN 0.992 nan 8.190 nan 0.000 0.454 108 G N 3.364 112.137 108.800 -0.045 0.000 2.168 108 G HA2 0.035 3.995 3.960 -0.000 0.000 0.263 108 G HA3 0.035 3.995 3.960 -0.000 0.000 0.263 108 G C 0.555 175.432 174.900 -0.039 0.000 0.977 108 G CA 0.236 45.313 45.100 -0.038 0.000 0.659 108 G HN 1.839 nan 8.290 nan 0.000 0.533 109 G N -2.596 106.175 108.800 -0.048 0.000 2.323 109 G HA2 0.695 4.655 3.960 -0.000 0.000 0.291 109 G HA3 0.695 4.655 3.960 -0.000 0.000 0.291 109 G C 0.863 175.727 174.900 -0.059 0.000 1.278 109 G CA 1.250 46.322 45.100 -0.046 0.000 0.860 109 G HN 2.415 nan 8.290 nan 0.000 0.504 110 G N -1.069 107.697 108.800 -0.056 0.000 2.698 110 G HA2 0.241 4.201 3.960 -0.000 0.000 0.233 110 G HA3 0.241 4.201 3.960 -0.000 0.000 0.233 110 G C 0.569 175.402 174.900 -0.113 0.000 1.352 110 G CA 0.439 45.493 45.100 -0.076 0.000 0.879 110 G HN 2.206 nan 8.290 nan 0.000 0.567 111 I N -1.281 119.183 120.570 -0.178 0.000 2.836 111 I HA 0.542 4.712 4.170 -0.000 0.000 0.285 111 I C 0.931 176.940 176.117 -0.179 0.000 1.174 111 I CA -0.649 60.516 61.300 -0.226 0.000 1.405 111 I CB 0.418 38.150 38.000 -0.446 0.000 1.385 111 I HN 0.518 nan 8.210 nan 0.000 0.594 112 R N 3.233 123.641 120.500 -0.153 0.000 2.539 112 R HA 0.138 4.478 4.340 -0.000 0.000 0.275 112 R C 0.176 176.401 176.300 -0.125 0.000 1.077 112 R CA -0.357 55.666 56.100 -0.128 0.000 1.097 112 R CB 0.972 31.208 30.300 -0.107 0.000 1.018 112 R HN 0.868 nan 8.270 nan 0.000 0.483 113 S N 2.189 117.827 115.700 -0.104 0.000 2.673 113 S HA -0.064 4.406 4.470 -0.000 0.000 0.308 113 S C 1.747 176.313 174.600 -0.057 0.000 1.246 113 S CA -0.237 57.917 58.200 -0.076 0.000 1.077 113 S CB 0.144 63.312 63.200 -0.054 0.000 0.814 113 S HN 0.496 nan 8.310 nan 0.000 0.503 114 L N 4.866 126.058 121.223 -0.052 0.000 2.156 114 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 114 L C 2.252 179.116 176.870 -0.010 0.000 1.095 114 L CA 0.677 55.501 54.840 -0.026 0.000 0.770 114 L CB -0.518 41.538 42.059 -0.006 0.000 0.914 114 L HN 0.631 nan 8.230 nan 0.000 0.439 115 N N 0.038 118.735 118.700 -0.005 0.000 2.084 115 N HA -0.140 4.600 4.740 -0.000 0.000 0.190 115 N C 1.894 177.408 175.510 0.007 0.000 1.030 115 N CA 1.292 54.343 53.050 0.001 0.000 0.849 115 N CB -0.378 38.113 38.487 0.007 0.000 1.012 115 N HN 0.153 nan 8.380 nan 0.000 0.423 116 V N 1.816 121.744 119.914 0.024 0.000 2.453 116 V HA -0.106 4.014 4.120 -0.000 0.000 0.247 116 V C 2.521 178.625 176.094 0.017 0.000 1.048 116 V CA 1.511 63.839 62.300 0.047 0.000 1.049 116 V CB -0.876 31.000 31.823 0.089 0.000 0.672 116 V HN 0.270 nan 8.190 nan 0.000 0.457 117 A N -0.291 122.527 122.820 -0.002 0.000 1.908 117 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 117 A C 2.243 179.822 177.584 -0.009 0.000 1.181 117 A CA 2.256 54.287 52.037 -0.010 0.000 0.627 117 A CB -0.478 18.511 19.000 -0.019 0.000 0.818 117 A HN 0.493 nan 8.150 nan 0.000 0.445 118 M N -1.177 118.417 119.600 -0.010 0.000 2.117 118 M HA -0.165 4.315 4.480 -0.000 0.000 0.262 118 M C 2.379 178.666 176.300 -0.022 0.000 1.065 118 M CA 1.614 56.905 55.300 -0.016 0.000 1.114 118 M CB -0.350 32.241 32.600 -0.015 0.000 1.361 118 M HN 0.359 nan 8.290 nan 0.000 0.408 119 R N 0.044 120.532 120.500 -0.020 0.000 2.073 119 R HA -0.155 4.185 4.340 -0.000 0.000 0.234 119 R C 2.236 178.531 176.300 -0.008 0.000 1.134 119 R CA 1.510 57.595 56.100 -0.025 0.000 0.952 119 R CB -0.394 29.892 30.300 -0.025 0.000 0.850 119 R HN 0.524 nan 8.270 nan 0.000 0.433 120 Q N 0.349 120.149 119.800 0.001 0.000 2.046 120 Q HA -0.151 4.189 4.340 -0.000 0.000 0.200 120 Q C 1.623 177.620 176.000 -0.004 0.000 0.975 120 Q CA 1.370 57.177 55.803 0.006 0.000 0.836 120 Q CB -0.022 28.720 28.738 0.008 0.000 0.896 120 Q HN 0.300 nan 8.270 nan 0.000 0.428 121 D N 0.669 121.062 120.400 -0.013 0.000 2.123 121 D HA -0.128 4.512 4.640 -0.000 0.000 0.196 121 D C 1.513 177.790 176.300 -0.038 0.000 0.992 121 D CA 1.137 55.124 54.000 -0.022 0.000 0.833 121 D CB 0.012 40.799 40.800 -0.022 0.000 0.954 121 D HN 0.205 nan 8.370 nan 0.000 0.455 122 L N -0.092 121.103 121.223 -0.047 0.000 2.607 122 L HA 0.086 4.426 4.340 -0.000 0.000 0.228 122 L C 0.070 176.911 176.870 -0.048 0.000 1.123 122 L CA -0.132 54.658 54.840 -0.084 0.000 0.890 122 L CB 0.057 42.057 42.059 -0.099 0.000 1.103 122 L HN -0.137 nan 8.230 nan 0.000 0.468 123 D N 1.096 121.494 120.400 -0.003 0.000 2.708 123 D HA -0.207 4.433 4.640 -0.000 0.000 0.236 123 D C -0.095 176.270 176.300 0.109 0.000 1.146 123 D CA 0.623 54.658 54.000 0.059 0.000 0.662 123 D CB -0.865 39.972 40.800 0.062 0.000 1.059 123 D HN 0.206 nan 8.370 nan 0.000 0.428 124 L N 1.503 122.743 121.223 0.028 0.000 2.384 124 L HA 0.127 4.467 4.340 -0.000 0.000 0.258 124 L C 1.588 178.425 176.870 -0.055 0.000 1.266 124 L CA -0.624 54.187 54.840 -0.048 0.000 1.162 124 L CB -0.551 41.448 42.059 -0.099 0.000 1.375 124 L HN 0.257 nan 8.230 nan 0.000 0.420 125 Y N 0.523 120.811 120.300 -0.020 0.000 2.571 125 Y HA 0.184 4.734 4.550 -0.000 0.000 0.294 125 Y C 0.522 176.420 175.900 -0.002 0.000 1.141 125 Y CA -0.425 57.670 58.100 -0.009 0.000 1.308 125 Y CB -0.271 38.197 38.460 0.013 0.000 1.002 125 Y HN 0.123 nan 8.280 nan 0.000 0.551 126 V N 2.194 121.855 119.914 -0.422 0.000 2.370 126 V HA 0.179 4.299 4.120 -0.000 0.000 0.283 126 V C -0.313 175.629 176.094 -0.254 0.000 1.023 126 V CA -1.288 60.847 62.300 -0.275 0.000 0.857 126 V CB 1.064 32.692 31.823 -0.325 0.000 0.985 126 V HN 0.454 nan 8.190 nan 0.000 0.443 127 C N 7.910 127.083 119.300 -0.212 0.000 2.251 127 C HA 0.704 5.164 4.460 -0.000 0.000 0.323 127 C C -0.387 174.401 174.990 -0.337 0.000 1.241 127 C CA -0.671 58.201 59.018 -0.242 0.000 1.601 127 C CB -0.353 27.274 27.740 -0.188 0.000 2.251 127 C HN 0.811 nan 8.230 nan 0.000 0.488 128 L N 7.389 128.366 121.223 -0.411 0.000 2.265 128 L HA 0.635 4.975 4.340 -0.000 0.000 0.289 128 L C -0.128 176.527 176.870 -0.360 0.000 1.033 128 L CA 0.247 54.738 54.840 -0.581 0.000 0.814 128 L CB 0.318 41.990 42.059 -0.645 0.000 1.203 128 L HN 0.704 nan 8.230 nan 0.000 0.423 129 R N 6.443 126.753 120.500 -0.315 0.000 2.467 129 R HA 0.438 4.778 4.340 -0.000 0.000 0.299 129 R C -2.569 173.666 176.300 -0.108 0.000 1.120 129 R CA -1.630 54.375 56.100 -0.157 0.000 0.940 129 R CB 1.421 31.660 30.300 -0.101 0.000 1.161 129 R HN 0.444 nan 8.270 nan 0.000 0.506 130 P HA 0.150 nan 4.420 nan 0.000 0.280 130 P C -0.605 176.729 177.300 0.055 0.000 1.244 130 P CA -0.371 62.729 63.100 -0.001 0.000 0.784 130 P CB 1.485 33.204 31.700 0.031 0.000 0.913 131 V N 4.714 124.671 119.914 0.073 0.000 2.443 131 V HA 0.522 4.641 4.120 -0.000 0.000 0.293 131 V C 0.435 176.594 176.094 0.109 0.000 1.021 131 V CA -0.551 61.811 62.300 0.103 0.000 0.848 131 V CB 1.242 33.120 31.823 0.092 0.000 0.998 131 V HN 0.651 nan 8.190 nan 0.000 0.424 132 R N 3.152 123.727 120.500 0.126 0.000 2.836 132 R HA 0.618 4.958 4.340 -0.000 0.000 0.269 132 R C -1.695 174.681 176.300 0.127 0.000 1.010 132 R CA -0.932 55.212 56.100 0.073 0.000 0.930 132 R CB 2.010 32.278 30.300 -0.053 0.000 1.218 132 R HN 0.483 nan 8.270 nan 0.000 0.473 133 Y N 1.310 121.580 120.300 -0.050 0.000 2.350 133 Y HA 0.391 4.941 4.550 -0.000 0.000 0.340 133 Y C -1.167 174.684 175.900 -0.082 0.000 1.006 133 Y CA -1.312 56.798 58.100 0.016 0.000 1.166 133 Y CB 0.612 39.088 38.460 0.026 0.000 1.168 133 Y HN 0.477 nan 8.280 nan 0.000 0.502 134 F N 4.263 123.933 119.950 -0.467 0.000 2.410 134 F HA 0.178 4.705 4.527 -0.000 0.000 0.348 134 F C 0.735 176.089 175.800 -0.743 0.000 1.106 134 F CA -0.658 57.086 58.000 -0.426 0.000 1.163 134 F CB 0.609 39.481 39.000 -0.214 0.000 1.129 134 F HN 0.498 nan 8.300 nan 0.000 0.516 135 E N 2.320 122.368 120.200 -0.253 0.000 2.868 135 E HA 0.028 4.378 4.350 -0.000 0.000 0.246 135 E C 1.180 177.701 176.600 -0.131 0.000 0.962 135 E CA 0.986 57.295 56.400 -0.150 0.000 0.955 135 E CB -0.021 29.672 29.700 -0.012 0.000 0.903 135 E HN 0.971 nan 8.360 nan 0.000 0.524 136 G N 3.512 112.283 108.800 -0.047 0.000 2.155 136 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.257 136 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.257 136 G C 0.340 175.259 174.900 0.032 0.000 0.983 136 G CA 0.446 45.577 45.100 0.052 0.000 0.676 136 G HN 0.611 nan 8.290 nan 0.000 0.528 137 T N 2.788 117.274 114.554 -0.112 0.000 2.853 137 T HA 0.417 4.767 4.350 -0.000 0.000 0.298 137 T C -1.812 172.988 174.700 0.167 0.000 0.978 137 T CA -0.217 61.878 62.100 -0.008 0.000 1.152 137 T CB 1.188 70.008 68.868 -0.081 0.000 0.914 137 T HN 0.129 nan 8.240 nan 0.000 0.539 138 P HA 0.189 nan 4.420 nan 0.000 0.264 138 P C -0.625 176.742 177.300 0.113 0.000 1.183 138 P CA 0.048 63.200 63.100 0.087 0.000 0.763 138 P CB 0.524 32.242 31.700 0.031 0.000 0.807 139 S N 2.928 118.684 115.700 0.093 0.000 2.556 139 S HA 0.566 5.036 4.470 -0.000 0.000 0.271 139 S C -2.204 172.406 174.600 0.016 0.000 1.135 139 S CA -1.329 56.913 58.200 0.071 0.000 0.858 139 S CB 1.343 64.597 63.200 0.089 0.000 1.114 139 S HN 0.257 nan 8.310 nan 0.000 0.468 140 P HA 0.183 nan 4.420 nan 0.000 0.245 140 P C -0.096 177.185 177.300 -0.032 0.000 1.206 140 P CA 0.171 63.262 63.100 -0.015 0.000 0.781 140 P CB 0.094 31.787 31.700 -0.012 0.000 0.994 141 M N -0.407 119.167 119.600 -0.044 0.000 2.342 141 M HA 0.280 4.760 4.480 -0.000 0.000 0.332 141 M C 1.697 177.929 176.300 -0.113 0.000 1.166 141 M CA -0.491 54.769 55.300 -0.066 0.000 1.086 141 M CB 0.728 33.287 32.600 -0.069 0.000 1.541 141 M HN -0.193 nan 8.290 nan 0.000 0.462 142 R N 0.067 120.487 120.500 -0.134 0.000 2.115 142 R HA -0.021 4.319 4.340 -0.000 0.000 0.226 142 R C 0.131 176.126 176.300 -0.509 0.000 1.100 142 R CA 0.996 56.930 56.100 -0.277 0.000 0.980 142 R CB 0.187 30.345 30.300 -0.236 0.000 0.875 142 R HN 0.536 nan 8.270 nan 0.000 0.445 143 H N -0.526 118.480 119.070 -0.107 0.000 2.439 143 H HA 0.162 4.718 4.556 -0.000 0.000 0.228 143 H C -1.951 173.243 175.328 -0.223 0.000 1.423 143 H CA -1.746 54.215 56.048 -0.146 0.000 1.386 143 H CB 1.358 31.066 29.762 -0.089 0.000 1.641 143 H HN 0.099 nan 8.280 nan 0.000 0.508 144 P HA -0.135 nan 4.420 nan 0.000 0.223 144 P C 1.348 178.333 177.300 -0.525 0.000 1.151 144 P CA 0.854 63.691 63.100 -0.439 0.000 0.787 144 P CB 0.448 31.739 31.700 -0.683 0.000 0.788 145 E N 1.628 121.489 120.200 -0.564 0.000 2.409 145 E HA -0.161 4.189 4.350 -0.000 0.000 0.198 145 E C 1.221 177.802 176.600 -0.032 0.000 1.024 145 E CA 0.900 57.178 56.400 -0.204 0.000 0.861 145 E CB -0.566 29.115 29.700 -0.032 0.000 0.788 145 E HN 0.289 nan 8.360 nan 0.000 0.521 146 K N 0.769 121.143 120.400 -0.043 0.000 2.487 146 K HA 0.122 4.442 4.320 -0.000 0.000 0.192 146 K C 0.127 176.742 176.600 0.024 0.000 1.027 146 K CA 0.083 56.368 56.287 -0.005 0.000 1.054 146 K CB 0.606 33.100 32.500 -0.011 0.000 0.824 146 K HN -0.039 nan 8.250 nan 0.000 0.510 147 V N 2.478 122.408 119.914 0.027 0.000 2.385 147 V HA 0.093 4.213 4.120 -0.000 0.000 0.269 147 V C -0.491 175.653 176.094 0.084 0.000 1.043 147 V CA -0.365 61.972 62.300 0.061 0.000 0.906 147 V CB 1.048 32.907 31.823 0.061 0.000 0.995 147 V HN 0.109 nan 8.190 nan 0.000 0.467 148 D N 5.706 126.159 120.400 0.087 0.000 2.527 148 D HA 0.404 5.044 4.640 -0.000 0.000 0.242 148 D C -0.689 175.674 176.300 0.105 0.000 1.285 148 D CA -0.213 53.838 54.000 0.084 0.000 0.886 148 D CB 0.604 41.445 40.800 0.068 0.000 1.402 148 D HN 0.405 nan 8.370 nan 0.000 0.528 149 M N 0.653 120.319 119.600 0.110 0.000 2.727 149 M HA 0.606 5.086 4.480 -0.000 0.000 0.300 149 M C -0.844 175.521 176.300 0.108 0.000 1.246 149 M CA -1.235 54.144 55.300 0.131 0.000 0.835 149 M CB 2.801 35.490 32.600 0.148 0.000 1.755 149 M HN -0.107 nan 8.290 nan 0.000 0.473 150 V N 2.324 122.309 119.914 0.119 0.000 2.482 150 V HA 0.478 4.598 4.120 -0.000 0.000 0.295 150 V C -0.746 175.386 176.094 0.064 0.000 1.026 150 V CA -0.585 61.745 62.300 0.050 0.000 0.856 150 V CB 1.711 33.562 31.823 0.046 0.000 1.001 150 V HN 0.645 nan 8.190 nan 0.000 0.424 151 I N 4.767 125.319 120.570 -0.030 0.000 2.331 151 I HA 0.425 4.595 4.170 -0.000 0.000 0.292 151 I C -0.802 175.226 176.117 -0.149 0.000 0.998 151 I CA -0.089 61.204 61.300 -0.012 0.000 1.267 151 I CB 1.063 39.048 38.000 -0.024 0.000 1.386 151 I HN 0.417 nan 8.210 nan 0.000 0.476 152 F N 5.915 125.802 119.950 -0.104 0.000 2.325 152 F HA 0.408 4.935 4.527 -0.000 0.000 0.369 152 F C 0.460 176.215 175.800 -0.075 0.000 1.095 152 F CA -0.526 57.412 58.000 -0.104 0.000 1.082 152 F CB 0.850 39.801 39.000 -0.080 0.000 1.289 152 F HN 0.373 nan 8.300 nan 0.000 0.462 153 R N 3.433 123.916 120.500 -0.028 0.000 2.255 153 R HA 0.210 4.549 4.340 -0.000 0.000 0.326 153 R C -0.052 176.217 176.300 -0.052 0.000 0.986 153 R CA -0.583 55.474 56.100 -0.071 0.000 0.847 153 R CB 0.864 31.081 30.300 -0.138 0.000 1.111 153 R HN 0.437 nan 8.270 nan 0.000 0.452 154 E N 3.176 123.355 120.200 -0.036 0.000 2.415 154 E HA -0.098 4.252 4.350 -0.000 0.000 0.263 154 E C -0.645 175.910 176.600 -0.075 0.000 0.995 154 E CA 0.397 56.808 56.400 0.018 0.000 0.915 154 E CB 0.790 30.512 29.700 0.036 0.000 0.951 154 E HN 0.612 nan 8.360 nan 0.000 0.449 155 N N 1.324 120.013 118.700 -0.018 0.000 2.197 155 N HA 0.021 4.761 4.740 -0.000 0.000 0.228 155 N C 0.233 175.735 175.510 -0.013 0.000 1.212 155 N CA 0.397 53.406 53.050 -0.069 0.000 0.883 155 N CB 0.507 38.952 38.487 -0.070 0.000 1.107 155 N HN 0.344 nan 8.380 nan 0.000 0.519 156 S N -2.086 113.632 115.700 0.029 0.000 2.649 156 S HA 0.214 4.684 4.470 -0.000 0.000 0.246 156 S C 0.594 175.215 174.600 0.035 0.000 1.057 156 S CA -0.361 57.867 58.200 0.046 0.000 1.051 156 S CB 0.560 63.808 63.200 0.081 0.000 1.018 156 S HN 0.360 nan 8.310 nan 0.000 0.569 157 E N 0.286 120.502 120.200 0.027 0.000 2.780 157 E HA 0.568 4.918 4.350 -0.000 0.000 0.152 157 E C -1.125 175.498 176.600 0.038 0.000 0.820 157 E CA -0.712 55.711 56.400 0.038 0.000 0.902 157 E CB -0.217 29.511 29.700 0.046 0.000 2.035 157 E HN -0.024 nan 8.360 nan 0.000 0.384 158 D N -0.746 119.680 120.400 0.044 0.000 9.948 158 D HA -0.218 4.422 4.640 -0.000 0.000 0.354 158 D C 0.186 176.538 176.300 0.087 0.000 2.964 158 D CA 0.921 54.948 54.000 0.044 0.000 2.324 158 D CB -0.395 40.396 40.800 -0.015 0.000 1.175 158 D HN 0.613 nan 8.370 nan 0.000 1.063 159 I N 1.181 121.805 120.570 0.090 0.000 3.164 159 I HA -0.240 3.929 4.170 -0.000 0.000 0.278 159 I C 1.120 177.273 176.117 0.060 0.000 1.320 159 I CA 0.707 62.041 61.300 0.057 0.000 1.422 159 I CB -0.236 37.778 38.000 0.023 0.000 1.066 159 I HN 0.328 nan 8.210 nan 0.000 0.503 160 Y N 0.438 120.699 120.300 -0.065 0.000 2.561 160 Y HA -0.003 4.547 4.550 -0.000 0.000 0.291 160 Y C 2.424 178.287 175.900 -0.062 0.000 1.141 160 Y CA 0.606 58.668 58.100 -0.064 0.000 1.303 160 Y CB -0.507 37.917 38.460 -0.059 0.000 1.015 160 Y HN 0.249 nan 8.280 nan 0.000 0.547 161 A N -0.003 122.863 122.820 0.076 0.000 2.032 161 A HA 0.011 4.331 4.320 -0.000 0.000 0.221 161 A C 2.145 179.700 177.584 -0.048 0.000 1.165 161 A CA 1.474 53.521 52.037 0.016 0.000 0.645 161 A CB -1.224 17.778 19.000 0.005 0.000 0.807 161 A HN 0.695 nan 8.150 nan 0.000 0.453 162 G N -1.509 107.231 108.800 -0.100 0.000 2.171 162 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.238 162 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.238 162 G C -0.083 174.680 174.900 -0.227 0.000 1.039 162 G CA 0.151 45.153 45.100 -0.162 0.000 0.759 162 G HN 0.591 nan 8.290 nan 0.000 0.501 163 I N 1.275 121.691 120.570 -0.257 0.000 2.306 163 I HA 0.550 4.720 4.170 -0.000 0.000 0.288 163 I C 0.307 176.028 176.117 -0.660 0.000 1.036 163 I CA -0.330 60.712 61.300 -0.431 0.000 1.221 163 I CB 0.779 38.624 38.000 -0.259 0.000 1.385 163 I HN 0.492 nan 8.210 nan 0.000 0.472 164 E N 5.503 125.085 120.200 -1.030 0.000 2.409 164 E HA 0.491 4.841 4.350 -0.000 0.000 0.280 164 E C -2.041 173.917 176.600 -1.069 0.000 1.079 164 E CA -1.066 54.796 56.400 -0.898 0.000 0.840 164 E CB 1.714 31.188 29.700 -0.377 0.000 1.309 164 E HN 0.279 nan 8.360 nan 0.000 0.447 165 W N 0.372 121.671 121.300 -0.001 0.000 3.022 165 W HA 0.383 5.043 4.660 -0.000 0.000 0.335 165 W C -2.729 173.792 176.519 0.003 0.000 1.133 165 W CA -2.003 55.342 57.345 -0.000 0.000 1.219 165 W CB 1.493 30.955 29.460 0.004 0.000 1.409 165 W HN 0.391 nan 8.180 nan 0.000 0.507 166 P HA 0.188 nan 4.420 nan 0.000 0.274 166 P C -0.160 177.205 177.300 0.108 0.000 1.231 166 P CA -0.087 63.077 63.100 0.106 0.000 0.790 166 P CB 0.548 32.294 31.700 0.075 0.000 0.951 167 A N 2.212 125.077 122.820 0.075 0.000 2.540 167 A HA 0.407 4.727 4.320 -0.000 0.000 0.239 167 A C 1.542 179.158 177.584 0.053 0.000 1.061 167 A CA 0.768 52.844 52.037 0.065 0.000 0.758 167 A CB -1.485 17.541 19.000 0.044 0.000 0.991 167 A HN 0.897 nan 8.150 nan 0.000 0.502 168 G N 1.431 110.262 108.800 0.051 0.000 2.184 168 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.264 168 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.264 168 G C 0.599 175.520 174.900 0.036 0.000 0.975 168 G CA 1.016 46.138 45.100 0.037 0.000 0.642 168 G HN 2.180 nan 8.290 nan 0.000 0.536 169 S N 0.042 115.773 115.700 0.051 0.000 2.601 169 S HA 0.621 5.091 4.470 -0.000 0.000 0.271 169 S C -0.765 173.847 174.600 0.020 0.000 1.305 169 S CA -0.610 57.618 58.200 0.047 0.000 1.022 169 S CB 2.233 65.485 63.200 0.086 0.000 0.940 169 S HN -0.018 nan 8.310 nan 0.000 0.525 170 P HA -0.109 nan 4.420 nan 0.000 0.216 170 P C 0.983 178.241 177.300 -0.071 0.000 1.150 170 P CA 1.316 64.401 63.100 -0.025 0.000 0.843 170 P CB 0.021 31.709 31.700 -0.021 0.000 0.787 171 E N -0.423 119.721 120.200 -0.093 0.000 2.072 171 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 171 E C 2.158 178.579 176.600 -0.298 0.000 0.985 171 E CA 1.485 57.717 56.400 -0.279 0.000 0.801 171 E CB -1.210 28.283 29.700 -0.345 0.000 0.750 171 E HN 0.135 nan 8.360 nan 0.000 0.452 172 A N 1.080 123.865 122.820 -0.058 0.000 1.933 172 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 172 A C 1.942 179.514 177.584 -0.020 0.000 1.175 172 A CA 1.596 53.647 52.037 0.023 0.000 0.628 172 A CB -0.459 18.618 19.000 0.129 0.000 0.814 172 A HN 0.213 nan 8.150 nan 0.000 0.444 173 E N -0.412 119.773 120.200 -0.024 0.000 2.106 173 E HA -0.200 4.150 4.350 -0.000 0.000 0.192 173 E C 2.052 178.631 176.600 -0.034 0.000 0.984 173 E CA 1.304 57.696 56.400 -0.013 0.000 0.806 173 E CB -0.130 29.566 29.700 -0.007 0.000 0.750 173 E HN 0.694 nan 8.360 nan 0.000 0.458 174 K N 0.906 121.253 120.400 -0.089 0.000 2.057 174 K HA -0.168 4.152 4.320 -0.000 0.000 0.206 174 K C 2.163 178.709 176.600 -0.090 0.000 1.050 174 K CA 0.961 57.187 56.287 -0.101 0.000 0.935 174 K CB -0.053 32.345 32.500 -0.170 0.000 0.715 174 K HN 0.029 nan 8.250 nan 0.000 0.439 175 I N 1.282 121.748 120.570 -0.173 0.000 2.353 175 I HA -0.149 4.021 4.170 -0.000 0.000 0.248 175 I C 1.761 177.912 176.117 0.056 0.000 1.119 175 I CA 1.048 62.288 61.300 -0.100 0.000 1.417 175 I CB 0.022 37.870 38.000 -0.254 0.000 1.078 175 I HN 0.215 nan 8.210 nan 0.000 0.421 176 I N 0.159 120.751 120.570 0.037 0.000 2.226 176 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 176 I C 2.672 178.822 176.117 0.055 0.000 1.100 176 I CA 1.348 62.684 61.300 0.060 0.000 1.374 176 I CB -0.493 37.539 38.000 0.053 0.000 1.057 176 I HN 0.216 nan 8.210 nan 0.000 0.413 177 R N 0.763 121.291 120.500 0.047 0.000 2.083 177 R HA -0.247 4.093 4.340 -0.000 0.000 0.237 177 R C 2.442 178.778 176.300 0.060 0.000 1.137 177 R CA 1.878 58.003 56.100 0.042 0.000 0.951 177 R CB -0.458 29.863 30.300 0.035 0.000 0.851 177 R HN 0.238 nan 8.270 nan 0.000 0.434 178 F N 1.231 121.159 119.950 -0.036 0.000 2.102 178 F HA -0.152 4.375 4.527 -0.000 0.000 0.298 178 F C 1.837 177.630 175.800 -0.010 0.000 1.105 178 F CA 1.530 59.512 58.000 -0.029 0.000 1.239 178 F CB -0.252 38.721 39.000 -0.045 0.000 0.991 178 F HN -0.005 nan 8.300 nan 0.000 0.474 179 L N -0.117 121.150 121.223 0.073 0.000 2.046 179 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 179 L C 2.655 179.475 176.870 -0.084 0.000 1.077 179 L CA 1.597 56.434 54.840 -0.005 0.000 0.747 179 L CB -0.618 41.491 42.059 0.083 0.000 0.896 179 L HN 0.060 nan 8.230 nan 0.000 0.432 180 R N -0.232 120.237 120.500 -0.051 0.000 2.062 180 R HA -0.088 4.252 4.340 -0.000 0.000 0.226 180 R C 2.135 178.381 176.300 -0.090 0.000 1.125 180 R CA 1.228 57.297 56.100 -0.053 0.000 0.966 180 R CB -0.178 30.109 30.300 -0.021 0.000 0.861 180 R HN 0.459 nan 8.270 nan 0.000 0.433 181 E N 0.070 120.203 120.200 -0.112 0.000 2.170 181 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 181 E C 1.591 178.076 176.600 -0.191 0.000 0.981 181 E CA 0.626 56.955 56.400 -0.117 0.000 0.830 181 E CB 0.283 29.938 29.700 -0.074 0.000 0.775 181 E HN 0.273 nan 8.360 nan 0.000 0.470 182 E N -0.143 119.836 120.200 -0.368 0.000 2.290 182 E HA 0.095 4.445 4.350 -0.000 0.000 0.197 182 E C 1.798 178.144 176.600 -0.423 0.000 0.948 182 E CA 0.426 56.539 56.400 -0.477 0.000 0.895 182 E CB 0.264 29.435 29.700 -0.882 0.000 0.865 182 E HN 0.193 nan 8.360 nan 0.000 0.486 183 M N -0.427 118.915 119.600 -0.429 0.000 2.502 183 M HA 0.216 4.696 4.480 -0.000 0.000 0.243 183 M C 0.929 177.161 176.300 -0.114 0.000 1.130 183 M CA 0.678 55.842 55.300 -0.227 0.000 1.055 183 M CB 0.007 32.516 32.600 -0.152 0.000 1.457 183 M HN 0.221 nan 8.290 nan 0.000 0.488 184 G N 1.411 110.142 108.800 -0.115 0.000 2.147 184 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.244 184 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.244 184 G C 0.092 174.971 174.900 -0.036 0.000 1.005 184 G CA 0.058 45.119 45.100 -0.064 0.000 0.713 184 G HN 0.338 nan 8.290 nan 0.000 0.515 185 V N 1.045 120.939 119.914 -0.033 0.000 2.572 185 V HA 0.467 4.587 4.120 -0.000 0.000 0.291 185 V C 1.589 177.677 176.094 -0.010 0.000 1.039 185 V CA 1.224 63.520 62.300 -0.007 0.000 1.055 185 V CB 1.227 33.056 31.823 0.010 0.000 0.969 185 V HN 0.791 nan 8.190 nan 0.000 0.482 186 T N 0.185 114.735 114.554 -0.007 0.000 3.004 186 T HA 0.171 4.521 4.350 -0.000 0.000 0.266 186 T C 0.980 175.669 174.700 -0.018 0.000 0.986 186 T CA -0.368 61.724 62.100 -0.014 0.000 0.902 186 T CB 0.174 69.033 68.868 -0.015 0.000 1.118 186 T HN 0.461 nan 8.240 nan 0.000 0.522 187 K N 1.327 121.721 120.400 -0.010 0.000 2.417 187 K HA 0.362 4.682 4.320 -0.000 0.000 0.196 187 K C 0.248 176.835 176.600 -0.022 0.000 1.023 187 K CA -0.109 56.167 56.287 -0.018 0.000 1.122 187 K CB 0.175 32.671 32.500 -0.007 0.000 0.850 187 K HN 0.519 nan 8.250 nan 0.000 0.521 188 I N 2.016 122.578 120.570 -0.013 0.000 2.436 188 I HA 0.024 4.194 4.170 -0.000 0.000 0.289 188 I C 1.723 177.803 176.117 -0.062 0.000 1.083 188 I CA -0.218 61.078 61.300 -0.007 0.000 1.372 188 I CB 0.869 38.883 38.000 0.025 0.000 1.408 188 I HN -0.106 nan 8.210 nan 0.000 0.516 189 R N 5.862 126.296 120.500 -0.110 0.000 2.066 189 R HA -0.008 4.332 4.340 -0.000 0.000 0.232 189 R C 0.061 176.070 176.300 -0.484 0.000 1.131 189 R CA 1.811 57.713 56.100 -0.331 0.000 0.955 189 R CB -0.024 30.044 30.300 -0.387 0.000 0.851 189 R HN 0.477 nan 8.270 nan 0.000 0.432 190 F N 1.201 121.162 119.950 0.019 0.000 2.531 190 F HA 0.392 4.919 4.527 -0.000 0.000 0.333 190 F C -1.651 174.162 175.800 0.022 0.000 1.292 190 F CA -2.520 55.491 58.000 0.018 0.000 1.184 190 F CB 1.898 40.908 39.000 0.018 0.000 1.426 190 F HN 0.056 nan 8.300 nan 0.000 0.559 191 P HA -0.152 nan 4.420 nan 0.000 0.220 191 P C 0.677 178.040 177.300 0.105 0.000 1.148 191 P CA 1.365 64.528 63.100 0.104 0.000 0.803 191 P CB 0.466 32.203 31.700 0.061 0.000 0.782 192 D N -0.156 120.315 120.400 0.119 0.000 2.348 192 D HA -0.037 4.603 4.640 -0.000 0.000 0.216 192 D C 1.275 177.618 176.300 0.072 0.000 0.970 192 D CA 1.139 55.189 54.000 0.085 0.000 0.889 192 D CB -0.064 40.784 40.800 0.079 0.000 0.912 192 D HN 0.325 nan 8.370 nan 0.000 0.524 193 S N -1.432 114.322 115.700 0.090 0.000 3.021 193 S HA 0.246 4.716 4.470 -0.000 0.000 0.252 193 S C 0.162 174.803 174.600 0.069 0.000 0.996 193 S CA -0.644 57.587 58.200 0.051 0.000 1.084 193 S CB 0.376 63.571 63.200 -0.008 0.000 1.021 193 S HN -0.207 nan 8.310 nan 0.000 0.566 194 S N 2.266 118.026 115.700 0.099 0.000 2.525 194 S HA 0.774 5.244 4.470 -0.000 0.000 0.278 194 S C 0.426 175.086 174.600 0.100 0.000 1.234 194 S CA -0.413 57.850 58.200 0.106 0.000 1.058 194 S CB 1.300 64.573 63.200 0.122 0.000 0.983 194 S HN 0.784 nan 8.310 nan 0.000 0.495 195 A N 3.486 126.361 122.820 0.093 0.000 2.304 195 A HA 0.718 5.038 4.320 -0.000 0.000 0.271 195 A C -0.387 177.271 177.584 0.124 0.000 1.091 195 A CA -0.453 51.647 52.037 0.105 0.000 0.812 195 A CB 0.226 19.266 19.000 0.067 0.000 1.056 195 A HN 0.707 nan 8.150 nan 0.000 0.489 196 I N 1.092 121.766 120.570 0.173 0.000 2.533 196 I HA 0.489 4.659 4.170 -0.000 0.000 0.290 196 I C 0.463 176.663 176.117 0.139 0.000 1.056 196 I CA 0.013 61.431 61.300 0.197 0.000 1.057 196 I CB 1.247 39.433 38.000 0.310 0.000 1.240 196 I HN 0.761 nan 8.210 nan 0.000 0.423 197 G N 6.399 115.239 108.800 0.067 0.000 2.453 197 G HA2 0.730 4.690 3.960 -0.000 0.000 0.323 197 G HA3 0.730 4.690 3.960 -0.000 0.000 0.323 197 G C -0.931 173.984 174.900 0.025 0.000 1.198 197 G CA -0.368 44.716 45.100 -0.027 0.000 0.959 197 G HN 0.306 nan 8.290 nan 0.000 0.482 198 I N 0.865 121.423 120.570 -0.019 0.000 2.378 198 I HA 0.388 4.558 4.170 -0.000 0.000 0.291 198 I C -0.078 176.055 176.117 0.027 0.000 0.992 198 I CA -0.949 60.378 61.300 0.045 0.000 1.154 198 I CB 1.785 39.828 38.000 0.071 0.000 1.315 198 I HN 0.439 nan 8.210 nan 0.000 0.448 199 K N 8.349 128.782 120.400 0.056 0.000 2.414 199 K HA 0.483 4.803 4.320 -0.000 0.000 0.251 199 K C -2.581 174.066 176.600 0.079 0.000 1.037 199 K CA -1.290 55.030 56.287 0.055 0.000 0.980 199 K CB 1.116 33.647 32.500 0.051 0.000 1.280 199 K HN 0.278 nan 8.250 nan 0.000 0.451 200 P HA 0.224 nan 4.420 nan 0.000 0.297 200 P C -1.124 176.238 177.300 0.102 0.000 1.331 200 P CA -0.573 62.580 63.100 0.088 0.000 0.803 200 P CB 1.546 33.285 31.700 0.066 0.000 0.929 201 V N 2.792 122.796 119.914 0.149 0.000 2.577 201 V HA 0.488 4.608 4.120 -0.000 0.000 0.303 201 V C 0.178 176.429 176.094 0.261 0.000 1.042 201 V CA -0.429 61.991 62.300 0.200 0.000 0.872 201 V CB 1.944 33.903 31.823 0.227 0.000 0.998 201 V HN 0.739 nan 8.190 nan 0.000 0.423 202 S N 2.200 118.005 115.700 0.175 0.000 2.648 202 S HA 0.455 4.925 4.470 -0.000 0.000 0.305 202 S C 0.833 175.276 174.600 -0.261 0.000 1.094 202 S CA -0.157 58.033 58.200 -0.016 0.000 0.983 202 S CB 1.833 64.995 63.200 -0.062 0.000 1.101 202 S HN 0.591 nan 8.310 nan 0.000 0.514 203 T N 1.453 115.544 114.554 -0.771 0.000 2.777 203 T HA -0.064 4.286 4.350 -0.000 0.000 0.266 203 T C 1.488 175.907 174.700 -0.468 0.000 1.040 203 T CA 1.791 63.206 62.100 -1.142 0.000 1.141 203 T CB -0.454 67.673 68.868 -1.235 0.000 0.868 203 T HN 0.764 nan 8.240 nan 0.000 0.444 204 E N 0.509 120.519 120.200 -0.317 0.000 2.072 204 E HA -0.042 4.308 4.350 -0.000 0.000 0.191 204 E C 2.569 179.083 176.600 -0.144 0.000 0.985 204 E CA 0.926 57.204 56.400 -0.203 0.000 0.801 204 E CB -0.333 29.266 29.700 -0.170 0.000 0.750 204 E HN 0.523 nan 8.360 nan 0.000 0.452 205 G N 0.466 109.211 108.800 -0.091 0.000 2.394 205 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.215 205 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.215 205 G C 1.695 176.636 174.900 0.068 0.000 1.165 205 G CA 0.705 45.788 45.100 -0.027 0.000 0.784 205 G HN 0.138 nan 8.290 nan 0.000 0.535 206 S N 0.508 116.289 115.700 0.134 0.000 2.368 206 S HA -0.069 4.401 4.470 -0.000 0.000 0.224 206 S C 2.137 176.763 174.600 0.044 0.000 1.029 206 S CA 1.305 59.653 58.200 0.246 0.000 0.988 206 S CB -0.183 63.276 63.200 0.431 0.000 0.838 206 S HN 0.552 nan 8.310 nan 0.000 0.462 207 E N 1.068 121.255 120.200 -0.022 0.000 2.072 207 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 207 E C 2.393 178.983 176.600 -0.017 0.000 0.985 207 E CA 1.075 57.447 56.400 -0.047 0.000 0.801 207 E CB -0.150 29.501 29.700 -0.081 0.000 0.750 207 E HN 0.547 nan 8.360 nan 0.000 0.452 208 R N 1.051 121.525 120.500 -0.044 0.000 2.096 208 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 208 R C 2.398 178.806 176.300 0.180 0.000 1.127 208 R CA 0.984 57.061 56.100 -0.037 0.000 0.968 208 R CB -0.552 29.538 30.300 -0.350 0.000 0.861 208 R HN 0.153 nan 8.270 nan 0.000 0.440 209 L N 1.495 122.849 121.223 0.219 0.000 2.027 209 L HA -0.051 4.289 4.340 -0.000 0.000 0.206 209 L C 2.171 179.136 176.870 0.157 0.000 1.074 209 L CA 1.731 56.765 54.840 0.323 0.000 0.745 209 L CB -0.513 41.756 42.059 0.350 0.000 0.898 209 L HN 0.298 nan 8.230 nan 0.000 0.433 210 I N -0.110 120.485 120.570 0.043 0.000 2.315 210 I HA -0.286 3.884 4.170 -0.000 0.000 0.248 210 I C 2.798 178.863 176.117 -0.087 0.000 1.117 210 I CA 1.008 62.251 61.300 -0.095 0.000 1.404 210 I CB -0.383 37.464 38.000 -0.256 0.000 1.071 210 I HN 0.319 nan 8.210 nan 0.000 0.419 211 R N 1.072 121.586 120.500 0.024 0.000 2.083 211 R HA -0.190 4.150 4.340 -0.000 0.000 0.237 211 R C 2.491 178.830 176.300 0.064 0.000 1.137 211 R CA 1.487 57.660 56.100 0.123 0.000 0.951 211 R CB -0.107 30.298 30.300 0.176 0.000 0.851 211 R HN 0.184 nan 8.270 nan 0.000 0.434 212 R N -0.214 120.330 120.500 0.073 0.000 2.096 212 R HA -0.078 4.262 4.340 -0.000 0.000 0.235 212 R C 2.180 178.287 176.300 -0.323 0.000 1.127 212 R CA 1.873 58.001 56.100 0.046 0.000 0.968 212 R CB -0.790 29.640 30.300 0.217 0.000 0.861 212 R HN 0.363 nan 8.270 nan 0.000 0.440 213 T N 1.606 115.788 114.554 -0.619 0.000 2.737 213 T HA -0.031 4.319 4.350 -0.000 0.000 0.265 213 T C 2.061 176.422 174.700 -0.564 0.000 1.038 213 T CA 1.067 62.483 62.100 -1.140 0.000 1.144 213 T CB -0.129 68.321 68.868 -0.697 0.000 0.866 213 T HN 0.145 nan 8.240 nan 0.000 0.434 214 I N 0.981 121.302 120.570 -0.415 0.000 2.226 214 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 214 I C 2.833 178.730 176.117 -0.367 0.000 1.100 214 I CA 1.321 62.336 61.300 -0.475 0.000 1.374 214 I CB -0.456 37.051 38.000 -0.821 0.000 1.057 214 I HN 0.305 nan 8.210 nan 0.000 0.413 215 Q N -0.109 119.572 119.800 -0.199 0.000 2.045 215 Q HA -0.303 4.037 4.340 -0.000 0.000 0.206 215 Q C 2.228 178.278 176.000 0.082 0.000 0.991 215 Q CA 2.468 58.291 55.803 0.034 0.000 0.851 215 Q CB -0.454 28.377 28.738 0.155 0.000 0.911 215 Q HN 0.518 nan 8.270 nan 0.000 0.418 216 Y N 0.567 120.855 120.300 -0.019 0.000 2.128 216 Y HA -0.283 4.267 4.550 -0.000 0.000 0.284 216 Y C 2.186 178.185 175.900 0.165 0.000 1.154 216 Y CA 1.500 59.695 58.100 0.158 0.000 1.149 216 Y CB -0.456 38.123 38.460 0.199 0.000 0.976 216 Y HN 0.125 nan 8.280 nan 0.000 0.505 217 A N 0.240 123.176 122.820 0.194 0.000 1.883 217 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 217 A C 2.299 179.903 177.584 0.033 0.000 1.186 217 A CA 2.003 54.112 52.037 0.119 0.000 0.624 217 A CB -1.164 17.846 19.000 0.018 0.000 0.822 217 A HN 0.564 nan 8.150 nan 0.000 0.444 218 L N -1.191 120.022 121.223 -0.016 0.000 2.056 218 L HA -0.173 4.167 4.340 -0.000 0.000 0.207 218 L C 2.651 179.507 176.870 -0.025 0.000 1.078 218 L CA 1.738 56.569 54.840 -0.015 0.000 0.749 218 L CB -0.496 41.558 42.059 -0.010 0.000 0.901 218 L HN 0.555 nan 8.230 nan 0.000 0.433 219 E N -0.235 119.937 120.200 -0.046 0.000 2.118 219 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 219 E C 1.370 177.789 176.600 -0.302 0.000 0.992 219 E CA 1.421 57.725 56.400 -0.160 0.000 0.804 219 E CB 0.097 29.692 29.700 -0.175 0.000 0.741 219 E HN 0.571 nan 8.360 nan 0.000 0.458 220 H N -1.665 117.286 119.070 -0.199 0.000 2.517 220 H HA 0.290 4.846 4.556 -0.000 0.000 0.282 220 H C 0.620 175.900 175.328 -0.080 0.000 1.023 220 H CA 0.474 56.411 56.048 -0.184 0.000 1.169 220 H CB 1.060 30.614 29.762 -0.347 0.000 1.454 220 H HN 0.297 nan 8.280 nan 0.000 0.556 221 G N 1.462 110.274 108.800 0.020 0.000 2.305 221 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.287 221 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.287 221 G C -0.106 174.824 174.900 0.050 0.000 1.036 221 G CA -0.106 45.010 45.100 0.027 0.000 0.887 221 G HN 0.148 nan 8.290 nan 0.000 0.505 222 K N -0.039 120.402 120.400 0.068 0.000 2.185 222 K HA 0.304 4.624 4.320 -0.000 0.000 0.271 222 K C -0.826 175.808 176.600 0.057 0.000 1.013 222 K CA -1.722 54.614 56.287 0.081 0.000 0.943 222 K CB 1.504 34.080 32.500 0.126 0.000 0.998 222 K HN 0.124 nan 8.250 nan 0.000 0.468 223 P HA -0.099 nan 4.420 nan 0.000 0.221 223 P C -0.029 177.290 177.300 0.032 0.000 1.150 223 P CA 0.832 63.954 63.100 0.037 0.000 0.800 223 P CB 0.417 32.135 31.700 0.030 0.000 0.787 224 S N -2.107 113.613 115.700 0.034 0.000 2.565 224 S HA 0.501 4.971 4.470 -0.000 0.000 0.269 224 S C -1.272 173.338 174.600 0.017 0.000 1.153 224 S CA -0.808 57.399 58.200 0.012 0.000 0.835 224 S CB 1.928 65.122 63.200 -0.009 0.000 1.122 224 S HN -0.190 nan 8.310 nan 0.000 0.462 225 V N 1.902 121.799 119.914 -0.029 0.000 2.487 225 V HA 0.664 4.784 4.120 -0.000 0.000 0.298 225 V C -0.482 175.567 176.094 -0.074 0.000 1.028 225 V CA -0.489 61.785 62.300 -0.044 0.000 0.860 225 V CB 1.872 33.631 31.823 -0.108 0.000 0.991 225 V HN 0.976 nan 8.190 nan 0.000 0.427 226 S N 5.981 121.661 115.700 -0.032 0.000 2.433 226 S HA 0.618 5.088 4.470 -0.000 0.000 0.310 226 S C -0.387 174.136 174.600 -0.129 0.000 1.097 226 S CA -0.514 57.644 58.200 -0.069 0.000 1.103 226 S CB 0.907 64.155 63.200 0.081 0.000 0.992 226 S HN 0.523 nan 8.310 nan 0.000 0.469 227 L N 3.609 124.749 121.223 -0.138 0.000 2.278 227 L HA 0.438 4.778 4.340 -0.000 0.000 0.287 227 L C -0.594 176.284 176.870 0.012 0.000 1.072 227 L CA -0.629 54.187 54.840 -0.041 0.000 0.819 227 L CB 0.534 42.484 42.059 -0.182 0.000 1.176 227 L HN 0.305 nan 8.230 nan 0.000 0.435 228 V N 3.418 123.283 119.914 -0.082 0.000 2.370 228 V HA 0.481 4.601 4.120 -0.000 0.000 0.283 228 V C -0.445 175.571 176.094 -0.130 0.000 1.023 228 V CA -0.530 61.601 62.300 -0.282 0.000 0.857 228 V CB 1.165 32.552 31.823 -0.727 0.000 0.985 228 V HN 0.942 nan 8.190 nan 0.000 0.443 229 H N 2.349 121.328 119.070 -0.150 0.000 3.014 229 H HA 0.713 5.269 4.556 -0.000 0.000 0.337 229 H C -0.829 174.456 175.328 -0.072 0.000 1.320 229 H CA -1.217 54.759 56.048 -0.120 0.000 1.128 229 H CB 1.689 31.430 29.762 -0.035 0.000 1.862 229 H HN 0.296 nan 8.280 nan 0.000 0.536 230 K N 1.130 121.513 120.400 -0.029 0.000 3.082 230 K HA 0.361 4.681 4.320 -0.000 0.000 0.203 230 K C 0.756 177.406 176.600 0.084 0.000 1.177 230 K CA 0.112 56.377 56.287 -0.038 0.000 1.041 230 K CB -0.121 32.352 32.500 -0.045 0.000 1.312 230 K HN 0.872 nan 8.250 nan 0.000 0.526 231 G N 0.803 109.810 108.800 0.344 0.000 2.920 231 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.208 231 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.208 231 G C 0.925 175.861 174.900 0.060 0.000 1.159 231 G CA 0.203 45.418 45.100 0.192 0.000 0.784 231 G HN 0.580 nan 8.290 nan 0.000 0.535 232 N N 0.944 119.684 118.700 0.066 0.000 2.300 232 N HA -0.032 4.708 4.740 -0.000 0.000 0.179 232 N C 1.669 177.154 175.510 -0.042 0.000 1.016 232 N CA 0.705 53.761 53.050 0.009 0.000 0.876 232 N CB -0.153 38.349 38.487 0.025 0.000 0.979 232 N HN 0.246 nan 8.380 nan 0.000 0.432 233 I N 0.039 120.586 120.570 -0.039 0.000 2.927 233 I HA 0.178 4.348 4.170 -0.000 0.000 0.268 233 I C 0.706 176.768 176.117 -0.093 0.000 1.153 233 I CA 0.566 61.831 61.300 -0.057 0.000 1.459 233 I CB -0.337 37.644 38.000 -0.031 0.000 1.149 233 I HN 0.078 nan 8.210 nan 0.000 0.443 234 M N 1.191 120.742 119.600 -0.082 0.000 2.741 234 M HA 0.195 4.675 4.480 -0.000 0.000 0.283 234 M C 1.046 177.257 176.300 -0.149 0.000 1.176 234 M CA -0.121 55.120 55.300 -0.097 0.000 1.139 234 M CB 0.788 33.365 32.600 -0.038 0.000 1.234 234 M HN -0.027 nan 8.290 nan 0.000 0.497 235 K N 0.443 120.648 120.400 -0.325 0.000 2.057 235 K HA -0.059 4.261 4.320 -0.000 0.000 0.206 235 K C 0.863 177.307 176.600 -0.260 0.000 1.050 235 K CA 1.381 57.434 56.287 -0.389 0.000 0.935 235 K CB 0.128 32.219 32.500 -0.680 0.000 0.715 235 K HN 0.402 nan 8.250 nan 0.000 0.439 236 F N 0.662 120.590 119.950 -0.037 0.000 2.473 236 F HA -0.014 4.513 4.527 -0.000 0.000 0.294 236 F C 2.557 178.334 175.800 -0.039 0.000 1.103 236 F CA 0.830 58.806 58.000 -0.039 0.000 1.442 236 F CB -1.035 37.988 39.000 0.038 0.000 1.097 236 F HN 0.073 nan 8.300 nan 0.000 0.547 237 T N -2.259 112.381 114.554 0.144 0.000 2.914 237 T HA 0.011 4.361 4.350 -0.000 0.000 0.240 237 T C 1.664 176.393 174.700 0.048 0.000 1.025 237 T CA 0.672 62.854 62.100 0.136 0.000 1.198 237 T CB -0.528 68.415 68.868 0.125 0.000 0.892 237 T HN 0.148 nan 8.240 nan 0.000 0.417 238 E N 1.348 121.554 120.200 0.009 0.000 2.107 238 E HA 0.049 4.399 4.350 -0.000 0.000 0.191 238 E C 2.507 179.086 176.600 -0.035 0.000 0.982 238 E CA 0.863 57.270 56.400 0.013 0.000 0.809 238 E CB -0.471 29.238 29.700 0.015 0.000 0.756 238 E HN 0.658 nan 8.360 nan 0.000 0.459 239 G N 1.345 110.080 108.800 -0.108 0.000 2.408 239 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.217 239 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.217 239 G C 1.593 176.258 174.900 -0.391 0.000 1.150 239 G CA 0.776 45.748 45.100 -0.212 0.000 0.776 239 G HN 0.353 nan 8.290 nan 0.000 0.542 240 G N 0.636 109.111 108.800 -0.541 0.000 2.446 240 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 240 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 240 G C 1.595 175.762 174.900 -1.222 0.000 1.168 240 G CA 0.928 45.154 45.100 -1.456 0.000 0.771 240 G HN 0.342 nan 8.290 nan 0.000 0.551 241 F N 1.590 121.223 119.950 -0.528 0.000 2.087 241 F HA -0.167 4.360 4.527 -0.000 0.000 0.299 241 F C 2.726 178.388 175.800 -0.230 0.000 1.100 241 F CA 2.372 60.300 58.000 -0.122 0.000 1.226 241 F CB -0.167 38.800 39.000 -0.056 0.000 0.983 241 F HN 0.096 nan 8.300 nan 0.000 0.479 242 R N 0.183 120.546 120.500 -0.227 0.000 2.073 242 R HA -0.169 4.171 4.340 -0.000 0.000 0.234 242 R C 1.907 177.966 176.300 -0.402 0.000 1.134 242 R CA 2.147 57.987 56.100 -0.432 0.000 0.952 242 R CB -0.605 29.299 30.300 -0.660 0.000 0.850 242 R HN 0.263 nan 8.270 nan 0.000 0.433 243 D N -0.440 119.747 120.400 -0.355 0.000 2.117 243 D HA -0.170 4.470 4.640 -0.000 0.000 0.198 243 D C 1.793 178.035 176.300 -0.096 0.000 0.982 243 D CA 0.923 54.802 54.000 -0.201 0.000 0.828 243 D CB -0.347 40.284 40.800 -0.282 0.000 0.967 243 D HN 0.361 nan 8.370 nan 0.000 0.464 244 W N 1.397 122.642 121.300 -0.092 0.000 2.402 244 W HA 0.076 4.736 4.660 -0.000 0.000 0.286 244 W C 2.390 178.806 176.519 -0.171 0.000 1.221 244 W CA 0.869 58.151 57.345 -0.106 0.000 1.257 244 W CB -1.381 28.016 29.460 -0.105 0.000 1.120 244 W HN 0.014 nan 8.180 nan 0.000 0.551 245 G N -0.408 108.308 108.800 -0.140 0.000 2.421 245 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.216 245 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.216 245 G C 1.324 176.138 174.900 -0.144 0.000 1.171 245 G CA 0.959 45.885 45.100 -0.291 0.000 0.775 245 G HN 0.136 nan 8.290 nan 0.000 0.543 246 Y N 1.363 121.608 120.300 -0.092 0.000 2.181 246 Y HA 0.057 4.607 4.550 -0.000 0.000 0.288 246 Y C 3.143 179.034 175.900 -0.015 0.000 1.146 246 Y CA 0.396 58.461 58.100 -0.058 0.000 1.164 246 Y CB -0.770 37.655 38.460 -0.058 0.000 0.982 246 Y HN 0.265 nan 8.280 nan 0.000 0.515 247 A N -0.111 122.812 122.820 0.173 0.000 1.902 247 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 247 A C 2.350 179.997 177.584 0.105 0.000 1.181 247 A CA 1.719 53.831 52.037 0.126 0.000 0.623 247 A CB -1.179 17.904 19.000 0.138 0.000 0.818 247 A HN 0.514 nan 8.150 nan 0.000 0.443 248 L N -0.732 120.551 121.223 0.099 0.000 2.046 248 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 248 L C 2.751 179.724 176.870 0.171 0.000 1.077 248 L CA 1.683 56.581 54.840 0.097 0.000 0.747 248 L CB -0.395 41.706 42.059 0.070 0.000 0.896 248 L HN 0.365 nan 8.230 nan 0.000 0.432 249 A N -0.215 122.707 122.820 0.170 0.000 1.883 249 A HA -0.273 4.047 4.320 -0.000 0.000 0.217 249 A C 2.102 179.835 177.584 0.248 0.000 1.186 249 A CA 2.113 54.292 52.037 0.236 0.000 0.624 249 A CB -0.671 18.394 19.000 0.107 0.000 0.822 249 A HN 0.637 nan 8.150 nan 0.000 0.444 250 E N -0.940 119.350 120.200 0.150 0.000 2.152 250 E HA -0.174 4.176 4.350 -0.000 0.000 0.192 250 E C 2.313 178.963 176.600 0.084 0.000 0.983 250 E CA 1.165 57.627 56.400 0.104 0.000 0.818 250 E CB -0.128 29.605 29.700 0.054 0.000 0.758 250 E HN 0.782 nan 8.360 nan 0.000 0.467 251 R N 1.008 121.550 120.500 0.069 0.000 2.090 251 R HA -0.001 4.339 4.340 -0.000 0.000 0.219 251 R C 1.553 177.833 176.300 -0.032 0.000 1.100 251 R CA 1.069 57.181 56.100 0.020 0.000 0.991 251 R CB -0.057 30.249 30.300 0.011 0.000 0.893 251 R HN 0.059 nan 8.270 nan 0.000 0.443 252 E N -0.270 119.893 120.200 -0.060 0.000 2.299 252 E HA -0.008 4.342 4.350 -0.000 0.000 0.193 252 E C 0.206 176.462 176.600 -0.573 0.000 0.998 252 E CA 0.676 56.871 56.400 -0.342 0.000 0.851 252 E CB 0.256 29.666 29.700 -0.482 0.000 0.795 252 E HN 0.365 nan 8.360 nan 0.000 0.492 253 F N 0.211 120.168 119.950 0.012 0.000 2.764 253 F HA 0.351 4.878 4.527 -0.000 0.000 0.310 253 F C 0.412 176.227 175.800 0.025 0.000 1.124 253 F CA -0.734 57.276 58.000 0.017 0.000 1.252 253 F CB 0.468 39.478 39.000 0.018 0.000 1.010 253 F HN -0.193 nan 8.300 nan 0.000 0.518 254 A N 0.542 123.432 122.820 0.117 0.000 2.584 254 A HA 0.356 4.676 4.320 -0.000 0.000 0.239 254 A C 1.569 179.207 177.584 0.090 0.000 1.043 254 A CA 1.329 53.421 52.037 0.091 0.000 0.756 254 A CB -0.685 18.343 19.000 0.045 0.000 0.963 254 A HN 1.145 nan 8.150 nan 0.000 0.511 255 G N 2.250 111.110 108.800 0.100 0.000 2.279 255 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.223 255 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.223 255 G C 1.060 176.024 174.900 0.105 0.000 1.015 255 G CA 0.565 45.719 45.100 0.090 0.000 0.621 255 G HN 0.786 nan 8.290 nan 0.000 0.506 256 R N 0.111 120.691 120.500 0.133 0.000 2.308 256 R HA 0.453 4.793 4.340 -0.000 0.000 0.202 256 R C 0.861 177.235 176.300 0.123 0.000 0.898 256 R CA 0.977 57.155 56.100 0.129 0.000 1.046 256 R CB 1.003 31.398 30.300 0.158 0.000 1.026 256 R HN 0.751 nan 8.270 nan 0.000 0.512 257 V N -2.913 117.088 119.914 0.145 0.000 3.074 257 V HA 0.640 4.760 4.120 -0.000 0.000 0.314 257 V C -1.256 174.967 176.094 0.215 0.000 1.117 257 V CA -1.188 61.197 62.300 0.141 0.000 1.014 257 V CB 2.185 34.065 31.823 0.096 0.000 1.057 257 V HN -0.010 nan 8.190 nan 0.000 0.438 258 F N 2.434 122.421 119.950 0.062 0.000 2.579 258 F HA 0.749 5.276 4.527 -0.000 0.000 0.325 258 F C 0.020 175.879 175.800 0.099 0.000 1.162 258 F CA 0.266 58.312 58.000 0.077 0.000 0.946 258 F CB 1.708 40.756 39.000 0.079 0.000 1.211 258 F HN 1.044 nan 8.300 nan 0.000 0.447 259 T N 1.098 115.399 114.554 -0.421 0.000 2.944 259 T HA 0.215 4.565 4.350 -0.000 0.000 0.284 259 T C 0.366 174.867 174.700 -0.332 0.000 1.010 259 T CA -0.421 61.537 62.100 -0.236 0.000 1.025 259 T CB 1.088 69.850 68.868 -0.176 0.000 1.079 259 T HN 0.673 nan 8.240 nan 0.000 0.516 260 W N 0.452 121.521 121.300 -0.384 0.000 2.595 260 W HA 0.202 4.862 4.660 -0.000 0.000 0.257 260 W C 2.582 178.776 176.519 -0.541 0.000 1.267 260 W CA -0.353 56.787 57.345 -0.341 0.000 1.300 260 W CB -0.755 28.659 29.460 -0.077 0.000 1.120 260 W HN 0.796 nan 8.180 nan 0.000 0.618 261 R N 0.399 120.479 120.500 -0.699 0.000 2.073 261 R HA -0.155 4.185 4.340 -0.000 0.000 0.229 261 R C 1.984 178.081 176.300 -0.339 0.000 1.120 261 R CA 1.621 57.392 56.100 -0.549 0.000 0.967 261 R CB -0.271 29.648 30.300 -0.634 0.000 0.862 261 R HN 0.168 nan 8.270 nan 0.000 0.436 262 Q N 0.216 119.774 119.800 -0.403 0.000 2.084 262 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 262 Q C 2.069 177.900 176.000 -0.283 0.000 0.978 262 Q CA 1.712 57.300 55.803 -0.357 0.000 0.844 262 Q CB -0.052 28.358 28.738 -0.546 0.000 0.898 262 Q HN 0.240 nan 8.270 nan 0.000 0.426 263 K N 0.443 120.632 120.400 -0.351 0.000 2.032 263 K HA -0.169 4.151 4.320 -0.000 0.000 0.209 263 K C 2.053 178.608 176.600 -0.074 0.000 1.048 263 K CA 1.191 57.441 56.287 -0.063 0.000 0.927 263 K CB -0.159 32.348 32.500 0.011 0.000 0.712 263 K HN 0.182 nan 8.250 nan 0.000 0.441 264 A N 0.916 123.659 122.820 -0.128 0.000 1.940 264 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 264 A C 2.260 179.802 177.584 -0.070 0.000 1.176 264 A CA 1.953 53.928 52.037 -0.102 0.000 0.631 264 A CB -0.676 18.261 19.000 -0.105 0.000 0.814 264 A HN 0.491 nan 8.150 nan 0.000 0.446 265 A N -0.212 122.564 122.820 -0.074 0.000 1.930 265 A HA 0.003 4.323 4.320 -0.000 0.000 0.217 265 A C 2.076 179.648 177.584 -0.021 0.000 1.175 265 A CA 1.378 53.387 52.037 -0.046 0.000 0.627 265 A CB -0.514 18.455 19.000 -0.051 0.000 0.815 265 A HN 0.494 nan 8.150 nan 0.000 0.443 266 I N -0.387 120.180 120.570 -0.005 0.000 2.315 266 I HA -0.175 3.995 4.170 -0.000 0.000 0.248 266 I C 2.551 178.673 176.117 0.007 0.000 1.117 266 I CA 1.175 62.489 61.300 0.022 0.000 1.404 266 I CB -0.211 37.833 38.000 0.073 0.000 1.071 266 I HN 0.200 nan 8.210 nan 0.000 0.419 267 S N 0.511 116.206 115.700 -0.008 0.000 2.368 267 S HA -0.197 4.272 4.470 -0.000 0.000 0.224 267 S C 2.025 176.613 174.600 -0.020 0.000 1.029 267 S CA 1.240 59.427 58.200 -0.021 0.000 0.988 267 S CB -0.182 62.992 63.200 -0.045 0.000 0.838 267 S HN 0.344 nan 8.310 nan 0.000 0.462 268 K N 1.141 121.527 120.400 -0.022 0.000 2.057 268 K HA -0.076 4.244 4.320 -0.000 0.000 0.207 268 K C 2.155 178.748 176.600 -0.011 0.000 1.049 268 K CA 1.195 57.471 56.287 -0.018 0.000 0.931 268 K CB -0.265 32.223 32.500 -0.020 0.000 0.714 268 K HN 0.310 nan 8.250 nan 0.000 0.440 269 A N 1.246 124.062 122.820 -0.008 0.000 1.835 269 A HA -0.108 4.212 4.320 -0.000 0.000 0.213 269 A C 1.500 179.083 177.584 -0.002 0.000 1.210 269 A CA 1.447 53.483 52.037 -0.003 0.000 0.605 269 A CB -0.271 18.730 19.000 0.001 0.000 0.860 269 A HN 0.432 nan 8.150 nan 0.000 0.447 270 E N -1.114 119.086 120.200 0.000 0.000 2.481 270 E HA 0.409 4.759 4.350 -0.000 0.000 0.198 270 E C 0.587 177.185 176.600 -0.004 0.000 1.027 270 E CA 0.149 56.550 56.400 0.000 0.000 0.900 270 E CB 0.298 30.002 29.700 0.006 0.000 0.993 270 E HN 0.756 nan 8.360 nan 0.000 0.482 271 G N 1.772 110.568 108.800 -0.008 0.000 2.662 271 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.686 271 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.686 271 G C 0.150 175.040 174.900 -0.017 0.000 1.271 271 G CA -0.377 44.715 45.100 -0.012 0.000 0.816 271 G HN 0.011 nan 8.290 nan 0.000 0.608 272 K N 0.340 120.726 120.400 -0.024 0.000 2.044 272 K HA -0.122 4.198 4.320 -0.000 0.000 0.210 272 K C 3.077 179.660 176.600 -0.027 0.000 1.049 272 K CA 2.149 58.416 56.287 -0.033 0.000 0.927 272 K CB -0.314 32.164 32.500 -0.038 0.000 0.713 272 K HN 0.884 nan 8.250 nan 0.000 0.443 273 A N 1.608 124.415 122.820 -0.021 0.000 1.908 273 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 273 A C 2.395 179.971 177.584 -0.013 0.000 1.181 273 A CA 2.033 54.060 52.037 -0.018 0.000 0.627 273 A CB -0.678 18.313 19.000 -0.014 0.000 0.818 273 A HN 0.380 nan 8.150 nan 0.000 0.445 274 A N -0.655 122.160 122.820 -0.008 0.000 1.969 274 A HA 0.175 4.495 4.320 -0.000 0.000 0.218 274 A C 2.361 179.952 177.584 0.013 0.000 1.169 274 A CA 1.789 53.826 52.037 0.001 0.000 0.635 274 A CB -1.235 17.768 19.000 0.006 0.000 0.810 274 A HN 0.696 nan 8.150 nan 0.000 0.445 275 G N -0.577 108.230 108.800 0.012 0.000 2.421 275 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.216 275 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.216 275 G C 1.586 176.506 174.900 0.033 0.000 1.171 275 G CA 0.959 46.081 45.100 0.037 0.000 0.775 275 G HN 0.637 nan 8.290 nan 0.000 0.543 276 Q N -0.022 119.773 119.800 -0.009 0.000 2.124 276 Q HA -0.047 4.292 4.340 -0.000 0.000 0.202 276 Q C 2.430 178.410 176.000 -0.033 0.000 0.977 276 Q CA 1.354 57.145 55.803 -0.019 0.000 0.850 276 Q CB -0.143 28.578 28.738 -0.028 0.000 0.901 276 Q HN 0.512 nan 8.270 nan 0.000 0.429 277 K N 0.862 121.243 120.400 -0.032 0.000 2.026 277 K HA -0.148 4.172 4.320 -0.000 0.000 0.208 277 K C 2.092 178.638 176.600 -0.089 0.000 1.048 277 K CA 1.190 57.449 56.287 -0.047 0.000 0.929 277 K CB -0.177 32.305 32.500 -0.030 0.000 0.713 277 K HN 0.175 nan 8.250 nan 0.000 0.439 278 A N 1.143 123.914 122.820 -0.082 0.000 1.902 278 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 278 A C 2.046 179.310 177.584 -0.534 0.000 1.181 278 A CA 1.909 53.845 52.037 -0.167 0.000 0.623 278 A CB -0.614 18.408 19.000 0.036 0.000 0.818 278 A HN 0.607 nan 8.150 nan 0.000 0.443 279 E N -0.923 119.012 120.200 -0.441 0.000 2.072 279 E HA -0.225 4.125 4.350 -0.000 0.000 0.191 279 E C 2.136 178.536 176.600 -0.332 0.000 0.985 279 E CA 1.154 57.224 56.400 -0.551 0.000 0.801 279 E CB -0.090 29.608 29.700 -0.003 0.000 0.750 279 E HN 0.532 nan 8.360 nan 0.000 0.452 280 Q N 0.293 119.984 119.800 -0.182 0.000 2.084 280 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 280 Q C 2.081 178.001 176.000 -0.133 0.000 0.978 280 Q CA 1.294 57.028 55.803 -0.114 0.000 0.844 280 Q CB -0.477 28.220 28.738 -0.068 0.000 0.898 280 Q HN 0.229 nan 8.270 nan 0.000 0.426 281 Q N 0.506 120.209 119.800 -0.162 0.000 2.096 281 Q HA -0.080 4.260 4.340 -0.000 0.000 0.204 281 Q C 1.863 177.769 176.000 -0.156 0.000 0.982 281 Q CA 1.965 57.688 55.803 -0.134 0.000 0.850 281 Q CB -0.554 28.110 28.738 -0.123 0.000 0.901 281 Q HN 0.350 nan 8.270 nan 0.000 0.422 282 A N -0.047 122.603 122.820 -0.284 0.000 1.902 282 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 282 A C 2.164 179.681 177.584 -0.112 0.000 1.181 282 A CA 1.537 53.426 52.037 -0.246 0.000 0.623 282 A CB -0.726 17.945 19.000 -0.548 0.000 0.818 282 A HN 0.458 nan 8.150 nan 0.000 0.443 283 I N -0.341 120.162 120.570 -0.112 0.000 2.315 283 I HA -0.244 3.926 4.170 -0.000 0.000 0.248 283 I C 2.933 179.030 176.117 -0.032 0.000 1.117 283 I CA 0.881 62.156 61.300 -0.041 0.000 1.404 283 I CB -0.319 37.664 38.000 -0.028 0.000 1.071 283 I HN 0.361 nan 8.210 nan 0.000 0.419 284 A N 0.484 123.275 122.820 -0.049 0.000 1.902 284 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 284 A C 1.737 179.307 177.584 -0.023 0.000 1.181 284 A CA 1.939 53.956 52.037 -0.033 0.000 0.623 284 A CB -0.512 18.464 19.000 -0.040 0.000 0.818 284 A HN 0.330 nan 8.150 nan 0.000 0.443 285 D N -1.017 119.367 120.400 -0.027 0.000 2.363 285 D HA 0.259 4.899 4.640 -0.000 0.000 0.226 285 D C 1.318 177.621 176.300 0.005 0.000 1.020 285 D CA 1.066 55.060 54.000 -0.010 0.000 0.892 285 D CB -0.231 40.563 40.800 -0.009 0.000 0.900 285 D HN 0.625 nan 8.370 nan 0.000 0.531 286 G N 0.966 109.769 108.800 0.005 0.000 2.143 286 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.248 286 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.248 286 G C 0.276 175.194 174.900 0.030 0.000 0.991 286 G CA -0.052 45.058 45.100 0.016 0.000 0.689 286 G HN 0.316 nan 8.290 nan 0.000 0.522 287 K N -0.449 119.973 120.400 0.037 0.000 2.237 287 K HA 0.523 4.842 4.320 -0.000 0.000 0.270 287 K C 0.386 177.029 176.600 0.072 0.000 1.015 287 K CA -0.843 55.486 56.287 0.069 0.000 0.949 287 K CB 1.322 33.885 32.500 0.106 0.000 0.976 287 K HN 0.187 nan 8.250 nan 0.000 0.472 288 L N 4.121 125.387 121.223 0.070 0.000 2.360 288 L HA 0.171 4.511 4.340 -0.000 0.000 0.276 288 L C -0.634 176.287 176.870 0.086 0.000 1.121 288 L CA -0.010 54.860 54.840 0.050 0.000 0.845 288 L CB 0.326 42.387 42.059 0.003 0.000 1.143 288 L HN 0.403 nan 8.230 nan 0.000 0.452 289 I N 6.557 127.176 120.570 0.082 0.000 2.416 289 I HA 0.186 4.356 4.170 -0.000 0.000 0.288 289 I C 0.016 176.135 176.117 0.004 0.000 1.051 289 I CA -0.245 61.120 61.300 0.109 0.000 1.375 289 I CB 0.845 38.908 38.000 0.106 0.000 1.407 289 I HN 0.420 nan 8.210 nan 0.000 0.516 290 I N 7.303 127.877 120.570 0.006 0.000 2.354 290 I HA 0.338 4.508 4.170 -0.000 0.000 0.286 290 I C 0.361 176.406 176.117 -0.121 0.000 1.007 290 I CA -0.595 60.684 61.300 -0.035 0.000 1.167 290 I CB 0.805 38.848 38.000 0.071 0.000 1.320 290 I HN 0.607 nan 8.210 nan 0.000 0.458 291 K N 5.549 125.726 120.400 -0.372 0.000 2.261 291 K HA 0.799 5.119 4.320 -0.000 0.000 0.242 291 K C -1.258 175.137 176.600 -0.342 0.000 1.083 291 K CA -0.898 54.889 56.287 -0.834 0.000 0.880 291 K CB 2.670 33.991 32.500 -1.966 0.000 1.353 291 K HN 0.501 nan 8.250 nan 0.000 0.486 292 D N -0.542 119.747 120.400 -0.186 0.000 2.661 292 D HA 0.419 5.059 4.640 -0.000 0.000 0.228 292 D C -1.195 175.245 176.300 0.234 0.000 1.210 292 D CA -0.651 53.409 54.000 0.100 0.000 0.826 292 D CB 2.207 43.149 40.800 0.236 0.000 1.542 292 D HN 0.297 nan 8.370 nan 0.000 0.447 293 V N 1.101 121.100 119.914 0.141 0.000 2.808 293 V HA 0.325 4.445 4.120 -0.000 0.000 0.308 293 V C 0.342 176.336 176.094 -0.167 0.000 1.099 293 V CA -0.929 61.444 62.300 0.121 0.000 0.920 293 V CB 1.856 33.819 31.823 0.234 0.000 1.014 293 V HN 0.576 nan 8.190 nan 0.000 0.425 294 I N 2.931 123.399 120.570 -0.170 0.000 2.648 294 I HA 0.144 4.314 4.170 -0.000 0.000 0.284 294 I C 1.841 177.866 176.117 -0.153 0.000 1.153 294 I CA 0.375 61.471 61.300 -0.340 0.000 1.426 294 I CB 1.254 39.162 38.000 -0.153 0.000 1.381 294 I HN 0.884 nan 8.210 nan 0.000 0.571 295 A N 5.235 127.944 122.820 -0.186 0.000 1.917 295 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 295 A C 1.914 179.533 177.584 0.059 0.000 1.182 295 A CA 2.134 54.143 52.037 -0.047 0.000 0.633 295 A CB -0.577 18.380 19.000 -0.072 0.000 0.819 295 A HN 0.918 nan 8.150 nan 0.000 0.448 296 D N 0.078 120.494 120.400 0.026 0.000 2.097 296 D HA -0.208 4.432 4.640 -0.000 0.000 0.197 296 D C 1.601 177.928 176.300 0.045 0.000 0.984 296 D CA 1.617 55.642 54.000 0.041 0.000 0.826 296 D CB -1.067 39.749 40.800 0.026 0.000 0.973 296 D HN 0.432 nan 8.370 nan 0.000 0.460 297 N N -0.289 118.440 118.700 0.048 0.000 2.149 297 N HA -0.205 4.535 4.740 -0.000 0.000 0.188 297 N C 1.551 177.101 175.510 0.067 0.000 1.019 297 N CA 0.830 53.916 53.050 0.059 0.000 0.857 297 N CB -0.679 37.855 38.487 0.079 0.000 0.997 297 N HN 0.183 nan 8.380 nan 0.000 0.426 298 F N 0.898 120.808 119.950 -0.068 0.000 2.126 298 F HA -0.074 4.453 4.527 -0.000 0.000 0.299 298 F C 1.902 177.626 175.800 -0.127 0.000 1.096 298 F CA 1.218 59.137 58.000 -0.135 0.000 1.255 298 F CB -0.317 38.583 39.000 -0.166 0.000 0.997 298 F HN 0.087 nan 8.300 nan 0.000 0.479 299 L N -0.256 120.926 121.223 -0.069 0.000 2.083 299 L HA -0.246 4.094 4.340 -0.000 0.000 0.209 299 L C 2.630 179.404 176.870 -0.159 0.000 1.083 299 L CA 1.697 56.459 54.840 -0.131 0.000 0.752 299 L CB -0.844 41.209 42.059 -0.009 0.000 0.899 299 L HN 0.276 nan 8.230 nan 0.000 0.433 300 Q N -0.341 119.402 119.800 -0.094 0.000 2.050 300 Q HA -0.244 4.096 4.340 -0.000 0.000 0.202 300 Q C 2.279 178.222 176.000 -0.096 0.000 0.980 300 Q CA 1.493 57.256 55.803 -0.067 0.000 0.840 300 Q CB 0.093 28.820 28.738 -0.017 0.000 0.898 300 Q HN 0.460 nan 8.270 nan 0.000 0.424 301 Q N 0.451 120.172 119.800 -0.132 0.000 2.124 301 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 301 Q C 2.160 178.060 176.000 -0.167 0.000 0.977 301 Q CA 1.382 57.136 55.803 -0.082 0.000 0.850 301 Q CB -0.416 28.326 28.738 0.007 0.000 0.901 301 Q HN 0.690 nan 8.270 nan 0.000 0.429 302 I N -3.262 117.032 120.570 -0.460 0.000 3.001 302 I HA -0.102 4.068 4.170 -0.000 0.000 0.268 302 I C 1.695 177.710 176.117 -0.170 0.000 1.267 302 I CA 0.764 61.823 61.300 -0.401 0.000 1.472 302 I CB -0.234 37.382 38.000 -0.640 0.000 1.089 302 I HN 0.009 nan 8.210 nan 0.000 0.468 303 L N 0.255 121.398 121.223 -0.134 0.000 2.316 303 L HA 0.110 4.450 4.340 -0.000 0.000 0.207 303 L C 2.453 179.306 176.870 -0.028 0.000 1.070 303 L CA 0.542 55.341 54.840 -0.068 0.000 0.820 303 L CB -0.137 41.884 42.059 -0.063 0.000 0.992 303 L HN 0.226 nan 8.230 nan 0.000 0.466 304 L N 0.096 121.308 121.223 -0.018 0.000 2.131 304 L HA -0.041 4.299 4.340 -0.000 0.000 0.206 304 L C 0.874 177.762 176.870 0.029 0.000 1.087 304 L CA 0.864 55.711 54.840 0.011 0.000 0.767 304 L CB -0.082 41.988 42.059 0.019 0.000 0.917 304 L HN 0.340 nan 8.230 nan 0.000 0.441 305 R N -1.495 119.037 120.500 0.054 0.000 2.837 305 R HA 0.248 4.588 4.340 -0.000 0.000 0.245 305 R C -2.576 173.805 176.300 0.136 0.000 1.712 305 R CA -1.164 54.980 56.100 0.073 0.000 1.539 305 R CB 0.069 30.410 30.300 0.068 0.000 1.490 305 R HN -0.133 nan 8.270 nan 0.000 0.667 306 P HA -0.224 nan 4.420 nan 0.000 0.220 306 P C 1.000 178.397 177.300 0.161 0.000 1.148 306 P CA 1.211 64.400 63.100 0.148 0.000 0.803 306 P CB 0.251 31.985 31.700 0.057 0.000 0.782 307 E N 0.201 120.443 120.200 0.070 0.000 2.401 307 E HA -0.193 4.157 4.350 -0.000 0.000 0.199 307 E C 0.520 177.111 176.600 -0.016 0.000 1.023 307 E CA 1.120 57.537 56.400 0.028 0.000 0.859 307 E CB -1.052 28.645 29.700 -0.005 0.000 0.780 307 E HN 0.201 nan 8.360 nan 0.000 0.523 308 D N -0.400 119.951 120.400 -0.082 0.000 2.349 308 D HA 0.084 4.724 4.640 -0.000 0.000 0.224 308 D C -0.552 175.375 176.300 -0.622 0.000 1.029 308 D CA 0.371 54.165 54.000 -0.343 0.000 0.879 308 D CB -0.039 40.477 40.800 -0.473 0.000 0.906 308 D HN 0.208 nan 8.370 nan 0.000 0.528 309 Y N -1.222 119.118 120.300 0.067 0.000 2.524 309 Y HA 0.465 5.015 4.550 -0.000 0.000 0.344 309 Y C 1.067 177.022 175.900 0.092 0.000 1.012 309 Y CA -0.773 57.387 58.100 0.100 0.000 1.068 309 Y CB 2.070 40.621 38.460 0.151 0.000 1.249 309 Y HN -0.342 nan 8.280 nan 0.000 0.468 310 S N -0.112 115.741 115.700 0.256 0.000 3.884 310 S HA 0.373 4.843 4.470 -0.000 0.000 0.174 310 S C -0.742 173.977 174.600 0.199 0.000 0.872 310 S CA 0.064 58.375 58.200 0.184 0.000 1.015 310 S CB -0.099 63.178 63.200 0.129 0.000 1.395 310 S HN 0.250 nan 8.310 nan 0.000 0.737 311 V N 2.608 122.630 119.914 0.180 0.000 2.532 311 V HA 0.703 4.823 4.120 -0.000 0.000 0.295 311 V C -0.733 175.447 176.094 0.143 0.000 1.041 311 V CA -0.479 61.928 62.300 0.179 0.000 0.926 311 V CB 1.454 33.377 31.823 0.167 0.000 0.992 311 V HN 0.399 nan 8.190 nan 0.000 0.457 312 V N 2.985 122.988 119.914 0.148 0.000 2.588 312 V HA 0.808 4.928 4.120 -0.000 0.000 0.304 312 V C 0.030 176.177 176.094 0.088 0.000 1.042 312 V CA -0.590 61.750 62.300 0.067 0.000 0.877 312 V CB 1.908 33.755 31.823 0.041 0.000 0.996 312 V HN 1.005 nan 8.190 nan 0.000 0.425 313 A N 2.977 125.820 122.820 0.039 0.000 2.287 313 A HA 0.884 5.204 4.320 -0.000 0.000 0.317 313 A C -0.266 177.411 177.584 0.155 0.000 1.220 313 A CA -0.403 51.721 52.037 0.146 0.000 0.835 313 A CB 1.615 20.688 19.000 0.121 0.000 1.180 313 A HN 0.802 nan 8.150 nan 0.000 0.500 314 T N 1.545 116.121 114.554 0.037 0.000 2.787 314 T HA 0.570 4.920 4.350 -0.000 0.000 0.297 314 T C -0.607 173.790 174.700 -0.505 0.000 1.221 314 T CA -0.424 61.486 62.100 -0.317 0.000 1.006 314 T CB 0.449 69.147 68.868 -0.285 0.000 1.328 314 T HN 0.451 nan 8.240 nan 0.000 0.509 315 L N 2.480 123.268 121.223 -0.725 0.000 2.482 315 L HA 0.420 4.760 4.340 -0.000 0.000 0.242 315 L C 2.154 178.810 176.870 -0.356 0.000 1.210 315 L CA -0.116 54.396 54.840 -0.547 0.000 0.819 315 L CB 0.124 41.874 42.059 -0.514 0.000 1.203 315 L HN 0.626 nan 8.230 nan 0.000 0.495 316 N N -0.137 118.366 118.700 -0.328 0.000 2.025 316 N HA -0.180 4.560 4.740 -0.000 0.000 0.194 316 N C 1.667 176.865 175.510 -0.519 0.000 1.044 316 N CA 1.576 54.347 53.050 -0.466 0.000 0.851 316 N CB -0.239 37.916 38.487 -0.554 0.000 1.036 316 N HN 0.562 nan 8.380 nan 0.000 0.422 317 L N 1.011 122.018 121.223 -0.360 0.000 1.994 317 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 317 L C 1.773 178.368 176.870 -0.458 0.000 1.071 317 L CA 1.352 56.015 54.840 -0.295 0.000 0.745 317 L CB -0.475 41.453 42.059 -0.219 0.000 0.892 317 L HN 0.191 nan 8.230 nan 0.000 0.431 318 N N 0.423 118.901 118.700 -0.370 0.000 2.061 318 N HA -0.177 4.563 4.740 -0.000 0.000 0.193 318 N C 1.693 177.101 175.510 -0.170 0.000 1.030 318 N CA 1.584 54.466 53.050 -0.280 0.000 0.856 318 N CB -0.921 37.420 38.487 -0.243 0.000 1.023 318 N HN 0.493 nan 8.380 nan 0.000 0.424 319 G N 0.495 109.178 108.800 -0.196 0.000 2.442 319 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.219 319 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.219 319 G C 1.346 176.210 174.900 -0.060 0.000 1.141 319 G CA 1.207 46.232 45.100 -0.126 0.000 0.763 319 G HN 0.374 nan 8.290 nan 0.000 0.554 320 D N -0.612 119.741 120.400 -0.078 0.000 2.084 320 D HA -0.150 4.489 4.640 -0.000 0.000 0.194 320 D C 2.135 178.575 176.300 0.232 0.000 0.990 320 D CA 0.878 54.913 54.000 0.058 0.000 0.826 320 D CB -0.251 40.610 40.800 0.101 0.000 0.971 320 D HN 0.283 nan 8.370 nan 0.000 0.453 321 Y N 0.276 120.582 120.300 0.010 0.000 2.181 321 Y HA -0.058 4.492 4.550 -0.000 0.000 0.288 321 Y C 2.701 178.615 175.900 0.023 0.000 1.146 321 Y CA 0.296 58.407 58.100 0.019 0.000 1.164 321 Y CB -1.080 37.391 38.460 0.018 0.000 0.982 321 Y HN -0.057 nan 8.280 nan 0.000 0.515 322 V N -0.771 119.264 119.914 0.202 0.000 2.407 322 V HA -0.270 3.849 4.120 -0.000 0.000 0.248 322 V C 2.365 178.525 176.094 0.109 0.000 1.055 322 V CA 1.977 64.373 62.300 0.160 0.000 1.049 322 V CB -0.866 31.069 31.823 0.188 0.000 0.662 322 V HN 0.337 nan 8.190 nan 0.000 0.455 323 S N -0.009 115.742 115.700 0.086 0.000 2.359 323 S HA -0.247 4.223 4.470 -0.000 0.000 0.224 323 S C 1.695 176.330 174.600 0.059 0.000 1.035 323 S CA 1.970 60.205 58.200 0.058 0.000 1.018 323 S CB -0.400 62.821 63.200 0.034 0.000 0.876 323 S HN 0.663 nan 8.310 nan 0.000 0.448 324 D N 1.182 121.622 120.400 0.067 0.000 2.149 324 D HA 0.113 4.753 4.640 -0.000 0.000 0.201 324 D C 2.104 178.422 176.300 0.030 0.000 0.972 324 D CA 1.040 55.067 54.000 0.046 0.000 0.835 324 D CB -0.319 40.503 40.800 0.036 0.000 0.966 324 D HN 0.361 nan 8.370 nan 0.000 0.476 325 A N 0.278 123.115 122.820 0.029 0.000 1.898 325 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 325 A C 2.195 179.783 177.584 0.007 0.000 1.181 325 A CA 0.853 52.894 52.037 0.006 0.000 0.620 325 A CB -0.745 18.254 19.000 -0.003 0.000 0.819 325 A HN 0.194 nan 8.150 nan 0.000 0.442 326 L N -0.826 120.409 121.223 0.020 0.000 2.056 326 L HA -0.195 4.145 4.340 -0.000 0.000 0.207 326 L C 3.141 180.039 176.870 0.046 0.000 1.078 326 L CA 1.045 55.900 54.840 0.024 0.000 0.749 326 L CB -0.561 41.523 42.059 0.042 0.000 0.901 326 L HN 0.458 nan 8.230 nan 0.000 0.433 327 A N 0.086 122.938 122.820 0.053 0.000 1.917 327 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 327 A C 2.509 180.129 177.584 0.060 0.000 1.182 327 A CA 1.898 53.975 52.037 0.066 0.000 0.633 327 A CB -0.757 18.280 19.000 0.061 0.000 0.819 327 A HN 0.445 nan 8.150 nan 0.000 0.448 328 A N -0.143 122.699 122.820 0.037 0.000 1.940 328 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 328 A C 1.862 179.468 177.584 0.036 0.000 1.176 328 A CA 1.698 53.751 52.037 0.027 0.000 0.631 328 A CB -0.587 18.417 19.000 0.007 0.000 0.814 328 A HN 0.680 nan 8.150 nan 0.000 0.446 329 E N -0.384 119.836 120.200 0.035 0.000 2.204 329 E HA -0.112 4.238 4.350 -0.000 0.000 0.195 329 E C 1.319 177.968 176.600 0.080 0.000 0.990 329 E CA 1.461 57.880 56.400 0.032 0.000 0.821 329 E CB -0.254 29.454 29.700 0.013 0.000 0.750 329 E HN 0.675 nan 8.360 nan 0.000 0.477 330 V N -3.524 116.473 119.914 0.138 0.000 3.177 330 V HA 0.556 4.676 4.120 -0.000 0.000 0.342 330 V C 0.877 177.097 176.094 0.211 0.000 1.379 330 V CA 0.233 62.694 62.300 0.268 0.000 1.191 330 V CB 0.145 32.158 31.823 0.317 0.000 1.167 330 V HN 0.246 nan 8.190 nan 0.000 0.471 331 G N -1.578 107.299 108.800 0.128 0.000 2.229 331 G HA2 0.333 4.293 3.960 -0.000 0.000 0.189 331 G HA3 0.333 4.293 3.960 -0.000 0.000 0.189 331 G C 1.001 175.918 174.900 0.028 0.000 1.000 331 G CA 0.038 45.181 45.100 0.073 0.000 0.663 331 G HN 2.304 nan 8.290 nan 0.000 0.493 332 G N -0.524 108.299 108.800 0.038 0.000 2.525 332 G HA2 0.219 4.179 3.960 -0.000 0.000 0.685 332 G HA3 0.219 4.179 3.960 -0.000 0.000 0.685 332 G C 0.736 175.653 174.900 0.028 0.000 1.290 332 G CA -0.007 45.104 45.100 0.019 0.000 0.915 332 G HN 1.570 nan 8.290 nan 0.000 0.548 333 I N -1.158 119.429 120.570 0.030 0.000 3.334 333 I HA 0.307 4.477 4.170 -0.000 0.000 0.282 333 I C 1.775 177.946 176.117 0.090 0.000 1.313 333 I CA 1.272 62.614 61.300 0.070 0.000 1.396 333 I CB -0.504 37.553 38.000 0.095 0.000 1.054 333 I HN 0.691 nan 8.210 nan 0.000 0.495 334 G N 1.369 110.171 108.800 0.003 0.000 2.813 334 G HA2 0.095 4.055 3.960 -0.000 0.000 0.209 334 G HA3 0.095 4.055 3.960 -0.000 0.000 0.209 334 G C 1.008 175.892 174.900 -0.027 0.000 1.150 334 G CA 0.049 45.121 45.100 -0.047 0.000 0.785 334 G HN 0.322 nan 8.290 nan 0.000 0.535 335 M N 0.927 120.531 119.600 0.007 0.000 3.004 335 M HA 0.490 4.970 4.480 -0.000 0.000 0.365 335 M C -0.194 176.150 176.300 0.074 0.000 1.317 335 M CA -0.687 54.615 55.300 0.004 0.000 0.821 335 M CB 0.735 33.344 32.600 0.016 0.000 1.387 335 M HN 0.083 nan 8.290 nan 0.000 0.501 336 A N 2.216 125.085 122.820 0.081 0.000 2.651 336 A HA 0.774 5.094 4.320 -0.000 0.000 0.290 336 A C -2.747 174.875 177.584 0.064 0.000 1.185 336 A CA -0.940 51.148 52.037 0.085 0.000 0.746 336 A CB 1.353 20.398 19.000 0.076 0.000 1.213 336 A HN 0.092 nan 8.150 nan 0.000 0.429 337 P HA 0.659 nan 4.420 nan 0.000 0.278 337 P C 0.217 177.531 177.300 0.024 0.000 1.266 337 P CA -0.107 63.026 63.100 0.055 0.000 0.807 337 P CB 2.047 33.801 31.700 0.090 0.000 1.094 338 G N -1.312 107.500 108.800 0.020 0.000 2.660 338 G HA2 0.639 4.599 3.960 -0.000 0.000 0.290 338 G HA3 0.639 4.599 3.960 -0.000 0.000 0.290 338 G C -2.117 172.766 174.900 -0.028 0.000 1.432 338 G CA -0.530 44.550 45.100 -0.034 0.000 0.807 338 G HN 0.575 nan 8.290 nan 0.000 0.485 339 A N 0.398 123.123 122.820 -0.159 0.000 2.455 339 A HA 0.769 5.089 4.320 -0.000 0.000 0.300 339 A C -1.027 176.326 177.584 -0.386 0.000 1.040 339 A CA -0.843 50.974 52.037 -0.367 0.000 0.697 339 A CB 1.512 20.253 19.000 -0.433 0.000 1.265 339 A HN 0.502 nan 8.150 nan 0.000 0.407 340 N N 2.086 120.529 118.700 -0.429 0.000 2.469 340 N HA 0.525 5.265 4.740 -0.000 0.000 0.253 340 N C -1.301 173.990 175.510 -0.365 0.000 0.970 340 N CA -0.062 52.795 53.050 -0.322 0.000 0.940 340 N CB 1.467 39.817 38.487 -0.228 0.000 1.128 340 N HN 0.565 nan 8.380 nan 0.000 0.503 341 L N 1.142 122.164 121.223 -0.335 0.000 2.365 341 L HA 0.457 4.797 4.340 -0.000 0.000 0.273 341 L C 0.899 177.584 176.870 -0.307 0.000 1.000 341 L CA -0.634 54.024 54.840 -0.303 0.000 0.819 341 L CB 1.842 43.736 42.059 -0.275 0.000 1.284 341 L HN 0.475 nan 8.230 nan 0.000 0.418 342 S N -0.375 115.235 115.700 -0.150 0.000 2.561 342 S HA 0.333 4.803 4.470 -0.000 0.000 0.282 342 S C 0.284 174.890 174.600 0.010 0.000 1.123 342 S CA -0.600 57.561 58.200 -0.066 0.000 1.011 342 S CB 0.953 64.219 63.200 0.110 0.000 1.244 342 S HN 0.581 nan 8.310 nan 0.000 0.503 343 D N 0.819 121.331 120.400 0.187 0.000 2.323 343 D HA 0.115 4.755 4.640 -0.000 0.000 0.209 343 D C 1.637 178.032 176.300 0.157 0.000 0.973 343 D CA 1.526 55.635 54.000 0.183 0.000 0.874 343 D CB -0.025 40.904 40.800 0.216 0.000 0.930 343 D HN 0.764 nan 8.370 nan 0.000 0.521 344 T N -3.637 111.030 114.554 0.188 0.000 3.010 344 T HA 0.121 4.471 4.350 -0.000 0.000 0.252 344 T C 0.591 175.358 174.700 0.110 0.000 0.963 344 T CA -0.091 62.111 62.100 0.170 0.000 0.952 344 T CB 0.532 69.541 68.868 0.235 0.000 1.182 344 T HN -0.067 nan 8.240 nan 0.000 0.495 345 H N 1.075 120.176 119.070 0.052 0.000 2.651 345 H HA 0.876 5.432 4.556 -0.000 0.000 0.353 345 H C -0.585 174.701 175.328 -0.070 0.000 1.178 345 H CA -0.212 55.852 56.048 0.026 0.000 1.224 345 H CB 1.839 31.605 29.762 0.008 0.000 1.702 345 H HN 0.544 nan 8.280 nan 0.000 0.550 346 A N 1.689 124.500 122.820 -0.016 0.000 2.459 346 A HA 0.565 4.885 4.320 -0.000 0.000 0.296 346 A C -1.348 176.053 177.584 -0.304 0.000 1.039 346 A CA -0.539 51.299 52.037 -0.333 0.000 0.698 346 A CB 0.878 19.468 19.000 -0.684 0.000 1.261 346 A HN 0.590 nan 8.150 nan 0.000 0.405 347 I N 2.508 122.835 120.570 -0.406 0.000 2.411 347 I HA 0.357 4.527 4.170 -0.000 0.000 0.284 347 I C -1.118 174.759 176.117 -0.401 0.000 1.012 347 I CA -0.318 60.836 61.300 -0.243 0.000 1.119 347 I CB 1.266 39.200 38.000 -0.110 0.000 1.261 347 I HN 0.578 nan 8.210 nan 0.000 0.448 348 F N 4.758 124.676 119.950 -0.054 0.000 2.399 348 F HA 0.460 4.987 4.527 -0.000 0.000 0.342 348 F C 0.557 176.335 175.800 -0.037 0.000 1.106 348 F CA -0.103 57.865 58.000 -0.053 0.000 1.196 348 F CB 0.855 39.834 39.000 -0.035 0.000 1.163 348 F HN 0.443 nan 8.300 nan 0.000 0.547 349 E N 1.695 121.940 120.200 0.077 0.000 2.422 349 E HA 0.568 4.917 4.350 -0.000 0.000 0.289 349 E C -1.569 174.999 176.600 -0.053 0.000 0.985 349 E CA -0.834 55.562 56.400 -0.006 0.000 0.812 349 E CB 1.462 31.130 29.700 -0.054 0.000 1.226 349 E HN 0.742 nan 8.360 nan 0.000 0.419 350 A N 2.406 125.147 122.820 -0.132 0.000 2.386 350 A HA 0.239 4.559 4.320 -0.000 0.000 0.246 350 A C 0.989 178.443 177.584 -0.217 0.000 1.089 350 A CA 0.411 52.319 52.037 -0.214 0.000 0.790 350 A CB 0.521 19.216 19.000 -0.509 0.000 1.042 350 A HN 0.736 nan 8.150 nan 0.000 0.497 351 T N 0.380 114.857 114.554 -0.128 0.000 2.904 351 T HA -0.010 4.340 4.350 -0.000 0.000 0.267 351 T C 0.840 175.515 174.700 -0.041 0.000 1.059 351 T CA 1.931 63.997 62.100 -0.057 0.000 1.137 351 T CB -0.587 68.288 68.868 0.011 0.000 0.879 351 T HN 0.936 nan 8.240 nan 0.000 0.467 352 H N -0.203 118.874 119.070 0.011 0.000 2.597 352 H HA 0.620 5.176 4.556 -0.000 0.000 0.370 352 H C 0.801 176.136 175.328 0.011 0.000 1.281 352 H CA -0.566 55.487 56.048 0.008 0.000 1.422 352 H CB 0.112 29.873 29.762 -0.001 0.000 1.524 352 H HN 0.071 nan 8.280 nan 0.000 0.607 353 G N -1.171 107.786 108.800 0.261 0.000 2.641 353 G HA2 0.261 4.221 3.960 -0.000 0.000 0.239 353 G HA3 0.261 4.221 3.960 -0.000 0.000 0.239 353 G C 0.675 175.705 174.900 0.216 0.000 1.402 353 G CA -0.285 44.917 45.100 0.170 0.000 1.046 353 G HN 0.905 nan 8.290 nan 0.000 0.565 354 T N -2.593 112.028 114.554 0.111 0.000 3.113 354 T HA 0.348 4.698 4.350 -0.000 0.000 0.256 354 T C 1.416 176.143 174.700 0.045 0.000 1.131 354 T CA 1.182 63.333 62.100 0.085 0.000 1.074 354 T CB -0.300 68.603 68.868 0.058 0.000 0.944 354 T HN 2.030 nan 8.240 nan 0.000 0.516 355 A N 2.451 125.288 122.820 0.029 0.000 2.203 355 A HA -0.067 4.253 4.320 -0.000 0.000 0.279 355 A C -0.795 176.782 177.584 -0.012 0.000 1.396 355 A CA 0.392 52.421 52.037 -0.013 0.000 0.747 355 A CB -1.830 17.131 19.000 -0.066 0.000 1.151 355 A HN 0.456 nan 8.150 nan 0.000 0.345 356 P HA -0.181 nan 4.420 nan 0.000 0.217 356 P C 1.148 178.442 177.300 -0.010 0.000 1.148 356 P CA 1.600 64.699 63.100 -0.001 0.000 0.828 356 P CB -0.056 31.644 31.700 0.001 0.000 0.783 357 D N -0.047 120.344 120.400 -0.016 0.000 2.310 357 D HA -0.133 4.507 4.640 -0.000 0.000 0.212 357 D C 1.478 177.763 176.300 -0.024 0.000 0.965 357 D CA 0.929 54.917 54.000 -0.020 0.000 0.879 357 D CB -0.854 39.932 40.800 -0.023 0.000 0.921 357 D HN 0.362 nan 8.370 nan 0.000 0.510 358 I N -4.526 116.027 120.570 -0.029 0.000 4.442 358 I HA 0.499 4.669 4.170 -0.000 0.000 0.331 358 I C 0.551 176.651 176.117 -0.027 0.000 1.364 358 I CA -0.799 60.481 61.300 -0.033 0.000 1.207 358 I CB 0.281 38.251 38.000 -0.050 0.000 1.298 358 I HN -0.079 nan 8.210 nan 0.000 0.463 359 A N 1.791 124.600 122.820 -0.019 0.000 2.540 359 A HA 0.437 4.757 4.320 -0.000 0.000 0.239 359 A C 1.606 179.186 177.584 -0.006 0.000 1.061 359 A CA 0.963 52.995 52.037 -0.009 0.000 0.758 359 A CB -0.538 18.463 19.000 0.002 0.000 0.991 359 A HN 1.277 nan 8.150 nan 0.000 0.502 360 G N 1.036 109.834 108.800 -0.003 0.000 2.179 360 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.260 360 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.260 360 G C 0.600 175.496 174.900 -0.006 0.000 0.977 360 G CA 0.817 45.916 45.100 -0.001 0.000 0.641 360 G HN 0.852 nan 8.290 nan 0.000 0.533 361 Q N -0.208 119.585 119.800 -0.012 0.000 2.319 361 Q HA 0.408 4.748 4.340 -0.000 0.000 0.202 361 Q C 1.692 177.683 176.000 -0.016 0.000 0.896 361 Q CA 0.285 56.079 55.803 -0.014 0.000 0.942 361 Q CB 0.664 29.391 28.738 -0.019 0.000 1.083 361 Q HN 1.452 nan 8.270 nan 0.000 0.510 362 G N 2.200 110.991 108.800 -0.015 0.000 2.323 362 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.292 362 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.292 362 G C 0.502 175.390 174.900 -0.021 0.000 1.040 362 G CA 0.921 46.013 45.100 -0.014 0.000 0.942 362 G HN 0.321 nan 8.290 nan 0.000 0.506 363 K N -0.484 119.894 120.400 -0.036 0.000 2.399 363 K HA 0.496 4.815 4.320 -0.000 0.000 0.196 363 K C 1.708 178.259 176.600 -0.082 0.000 1.117 363 K CA 0.350 56.606 56.287 -0.052 0.000 0.965 363 K CB 0.523 32.991 32.500 -0.054 0.000 0.983 363 K HN 0.625 nan 8.250 nan 0.000 0.531 364 A N 2.428 125.196 122.820 -0.087 0.000 2.561 364 A HA -0.057 4.263 4.320 -0.000 0.000 0.234 364 A C 0.047 177.542 177.584 -0.148 0.000 1.055 364 A CA 0.039 51.997 52.037 -0.131 0.000 0.756 364 A CB -0.070 18.854 19.000 -0.125 0.000 0.986 364 A HN 0.222 nan 8.150 nan 0.000 0.505 365 N N 2.650 121.226 118.700 -0.206 0.000 2.420 365 N HA 0.189 4.929 4.740 -0.000 0.000 0.262 365 N C -1.706 173.719 175.510 -0.142 0.000 1.144 365 N CA -1.883 51.017 53.050 -0.250 0.000 0.952 365 N CB 1.082 39.401 38.487 -0.279 0.000 1.081 365 N HN 0.360 nan 8.380 nan 0.000 0.480 366 P HA 0.089 nan 4.420 nan 0.000 0.255 366 P C 0.716 178.060 177.300 0.072 0.000 1.248 366 P CA 0.147 63.276 63.100 0.048 0.000 0.807 366 P CB 0.454 32.211 31.700 0.096 0.000 1.150 367 S N 0.315 116.026 115.700 0.017 0.000 2.370 367 S HA -0.129 4.341 4.470 -0.000 0.000 0.226 367 S C 2.106 176.712 174.600 0.010 0.000 1.033 367 S CA 1.711 59.914 58.200 0.005 0.000 1.011 367 S CB -0.784 62.344 63.200 -0.119 0.000 0.852 367 S HN 0.276 nan 8.310 nan 0.000 0.457 368 S N 1.283 117.014 115.700 0.051 0.000 2.359 368 S HA -0.066 4.404 4.470 -0.000 0.000 0.224 368 S C 1.790 176.433 174.600 0.073 0.000 1.035 368 S CA 1.067 59.320 58.200 0.088 0.000 1.018 368 S CB -0.404 62.916 63.200 0.200 0.000 0.876 368 S HN 0.309 nan 8.310 nan 0.000 0.448 369 L N 1.439 122.717 121.223 0.092 0.000 2.109 369 L HA 0.136 4.476 4.340 -0.000 0.000 0.207 369 L C 1.894 178.800 176.870 0.060 0.000 1.086 369 L CA 1.315 56.193 54.840 0.064 0.000 0.760 369 L CB -0.487 41.612 42.059 0.066 0.000 0.910 369 L HN 0.277 nan 8.230 nan 0.000 0.437 370 I N -1.043 119.563 120.570 0.061 0.000 2.226 370 I HA -0.336 3.834 4.170 -0.000 0.000 0.245 370 I C 2.182 178.338 176.117 0.064 0.000 1.100 370 I CA 1.376 62.714 61.300 0.063 0.000 1.374 370 I CB -0.239 37.804 38.000 0.072 0.000 1.057 370 I HN 0.222 nan 8.210 nan 0.000 0.413 371 L N -0.440 120.817 121.223 0.056 0.000 2.291 371 L HA -0.118 4.222 4.340 -0.000 0.000 0.214 371 L C 2.493 179.415 176.870 0.087 0.000 1.120 371 L CA 0.675 55.562 54.840 0.079 0.000 0.799 371 L CB -0.394 41.712 42.059 0.079 0.000 0.925 371 L HN 0.152 nan 8.230 nan 0.000 0.446 372 S N 0.067 115.815 115.700 0.081 0.000 2.387 372 S HA -0.075 4.394 4.470 -0.000 0.000 0.226 372 S C 2.209 176.825 174.600 0.026 0.000 1.026 372 S CA 1.036 59.303 58.200 0.112 0.000 0.972 372 S CB -0.113 63.166 63.200 0.131 0.000 0.814 372 S HN 0.490 nan 8.310 nan 0.000 0.477 373 A N 1.078 123.904 122.820 0.009 0.000 2.015 373 A HA 0.021 4.340 4.320 -0.000 0.000 0.219 373 A C 2.249 179.786 177.584 -0.078 0.000 1.163 373 A CA 0.980 52.986 52.037 -0.052 0.000 0.646 373 A CB -0.699 18.336 19.000 0.058 0.000 0.806 373 A HN 0.329 nan 8.150 nan 0.000 0.448 374 V N 0.095 120.012 119.914 0.005 0.000 2.295 374 V HA -0.341 3.779 4.120 -0.000 0.000 0.246 374 V C 2.625 178.715 176.094 -0.008 0.000 1.049 374 V CA 2.362 64.685 62.300 0.039 0.000 1.024 374 V CB -0.723 31.163 31.823 0.104 0.000 0.648 374 V HN 0.608 nan 8.190 nan 0.000 0.447 375 M N -1.248 118.342 119.600 -0.017 0.000 2.202 375 M HA -0.254 4.226 4.480 -0.000 0.000 0.262 375 M C 2.258 178.388 176.300 -0.283 0.000 1.063 375 M CA 2.083 57.388 55.300 0.008 0.000 1.097 375 M CB -0.440 32.282 32.600 0.204 0.000 1.382 375 M HN 0.348 nan 8.290 nan 0.000 0.413 376 M N 0.521 119.621 119.600 -0.834 0.000 2.132 376 M HA -0.168 4.312 4.480 -0.000 0.000 0.263 376 M C 1.935 177.975 176.300 -0.433 0.000 1.065 376 M CA 1.626 56.187 55.300 -1.232 0.000 1.122 376 M CB 0.006 31.920 32.600 -1.144 0.000 1.365 376 M HN 0.233 nan 8.290 nan 0.000 0.411 377 L N -0.064 121.016 121.223 -0.238 0.000 2.083 377 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 377 L C 2.194 179.076 176.870 0.019 0.000 1.083 377 L CA 1.435 56.228 54.840 -0.077 0.000 0.752 377 L CB -0.675 41.428 42.059 0.075 0.000 0.899 377 L HN 0.356 nan 8.230 nan 0.000 0.433 378 E N -0.914 119.315 120.200 0.048 0.000 2.077 378 E HA -0.284 4.066 4.350 -0.000 0.000 0.193 378 E C 2.043 178.718 176.600 0.126 0.000 0.989 378 E CA 1.341 57.811 56.400 0.117 0.000 0.800 378 E CB -0.137 29.652 29.700 0.148 0.000 0.746 378 E HN 0.473 nan 8.360 nan 0.000 0.452 379 H N 0.397 119.472 119.070 0.009 0.000 2.421 379 H HA -0.009 4.547 4.556 -0.000 0.000 0.298 379 H C 1.690 177.004 175.328 -0.023 0.000 1.087 379 H CA 1.141 57.223 56.048 0.057 0.000 1.330 379 H CB 0.068 29.927 29.762 0.162 0.000 1.388 379 H HN 0.054 nan 8.280 nan 0.000 0.526 380 L N -1.046 120.121 121.223 -0.093 0.000 2.554 380 L HA 0.141 4.480 4.340 -0.000 0.000 0.226 380 L C 1.630 178.416 176.870 -0.139 0.000 1.137 380 L CA 0.563 55.238 54.840 -0.274 0.000 0.863 380 L CB -0.037 41.621 42.059 -0.668 0.000 0.985 380 L HN 0.610 nan 8.230 nan 0.000 0.451 381 G N -1.253 107.555 108.800 0.014 0.000 2.143 381 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.248 381 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.248 381 G C -0.278 174.836 174.900 0.357 0.000 0.991 381 G CA -0.353 44.834 45.100 0.145 0.000 0.689 381 G HN 0.310 nan 8.290 nan 0.000 0.522 382 W N 1.533 122.846 121.300 0.022 0.000 1.714 382 W HA 0.613 5.273 4.660 -0.000 0.000 0.363 382 W C 1.427 178.038 176.519 0.154 0.000 0.724 382 W CA -1.171 56.228 57.345 0.090 0.000 1.804 382 W CB -0.000 29.510 29.460 0.083 0.000 1.900 382 W HN 0.215 nan 8.180 nan 0.000 0.296 383 G N 0.255 109.240 108.800 0.307 0.000 2.422 383 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.218 383 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.218 383 G C 1.364 176.363 174.900 0.164 0.000 1.146 383 G CA 0.721 45.943 45.100 0.203 0.000 0.769 383 G HN 0.350 nan 8.290 nan 0.000 0.547 384 E N 0.445 120.743 120.200 0.164 0.000 2.077 384 E HA -0.090 4.260 4.350 -0.000 0.000 0.193 384 E C 2.932 179.495 176.600 -0.061 0.000 0.989 384 E CA 0.817 57.225 56.400 0.014 0.000 0.800 384 E CB -0.159 29.484 29.700 -0.094 0.000 0.746 384 E HN 0.424 nan 8.360 nan 0.000 0.452 385 A N 1.463 124.274 122.820 -0.016 0.000 1.898 385 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 385 A C 2.397 180.023 177.584 0.069 0.000 1.181 385 A CA 1.596 53.618 52.037 -0.026 0.000 0.620 385 A CB -0.623 18.488 19.000 0.185 0.000 0.819 385 A HN 0.293 nan 8.150 nan 0.000 0.442 386 A N -0.400 122.504 122.820 0.140 0.000 1.883 386 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 386 A C 2.123 179.781 177.584 0.122 0.000 1.186 386 A CA 1.881 53.996 52.037 0.130 0.000 0.624 386 A CB -0.720 18.362 19.000 0.137 0.000 0.822 386 A HN 0.650 nan 8.150 nan 0.000 0.444 387 Q N -0.617 119.246 119.800 0.105 0.000 2.124 387 Q HA -0.053 4.287 4.340 -0.000 0.000 0.202 387 Q C 2.364 178.427 176.000 0.106 0.000 0.977 387 Q CA 1.380 57.242 55.803 0.098 0.000 0.850 387 Q CB -0.433 28.349 28.738 0.073 0.000 0.901 387 Q HN 0.689 nan 8.270 nan 0.000 0.429 388 A N 0.859 123.732 122.820 0.088 0.000 1.933 388 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 388 A C 2.044 179.812 177.584 0.307 0.000 1.175 388 A CA 1.195 53.318 52.037 0.143 0.000 0.628 388 A CB -0.580 18.441 19.000 0.034 0.000 0.814 388 A HN 0.320 nan 8.150 nan 0.000 0.444 389 I N -0.550 120.187 120.570 0.278 0.000 2.252 389 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 389 I C 2.299 178.542 176.117 0.209 0.000 1.102 389 I CA 0.941 62.439 61.300 0.331 0.000 1.385 389 I CB -0.280 37.864 38.000 0.240 0.000 1.064 389 I HN 0.144 nan 8.210 nan 0.000 0.414 390 V N 1.135 121.169 119.914 0.200 0.000 2.343 390 V HA -0.303 3.817 4.120 -0.000 0.000 0.247 390 V C 2.718 178.933 176.094 0.201 0.000 1.051 390 V CA 2.024 64.469 62.300 0.242 0.000 1.036 390 V CB -1.052 30.904 31.823 0.223 0.000 0.654 390 V HN 0.494 nan 8.190 nan 0.000 0.451 391 A N -0.010 122.894 122.820 0.140 0.000 1.898 391 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 391 A C 2.439 180.050 177.584 0.045 0.000 1.181 391 A CA 2.006 54.098 52.037 0.092 0.000 0.620 391 A CB -0.782 18.264 19.000 0.076 0.000 0.819 391 A HN 0.561 nan 8.150 nan 0.000 0.442 392 A N -0.836 121.989 122.820 0.008 0.000 1.902 392 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 392 A C 2.202 179.705 177.584 -0.135 0.000 1.181 392 A CA 2.301 54.240 52.037 -0.164 0.000 0.623 392 A CB -0.519 18.208 19.000 -0.456 0.000 0.818 392 A HN 0.601 nan 8.150 nan 0.000 0.443 393 M N 0.450 120.021 119.600 -0.049 0.000 2.086 393 M HA -0.135 4.345 4.480 -0.000 0.000 0.261 393 M C 1.607 177.937 176.300 0.050 0.000 1.067 393 M CA 1.951 57.225 55.300 -0.044 0.000 1.116 393 M CB -0.659 31.896 32.600 -0.076 0.000 1.348 393 M HN 0.410 nan 8.290 nan 0.000 0.407 394 N N 0.297 119.099 118.700 0.169 0.000 2.120 394 N HA -0.094 4.646 4.740 -0.000 0.000 0.188 394 N C 1.674 177.223 175.510 0.065 0.000 1.024 394 N CA 1.771 54.930 53.050 0.182 0.000 0.852 394 N CB -0.396 38.186 38.487 0.158 0.000 1.003 394 N HN 0.541 nan 8.380 nan 0.000 0.424 395 A N 0.347 123.177 122.820 0.016 0.000 1.930 395 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 395 A C 2.400 179.965 177.584 -0.033 0.000 1.175 395 A CA 1.729 53.756 52.037 -0.017 0.000 0.627 395 A CB -0.866 18.106 19.000 -0.046 0.000 0.815 395 A HN 0.259 nan 8.150 nan 0.000 0.443 396 T N 0.502 115.019 114.554 -0.063 0.000 2.737 396 T HA -0.073 4.277 4.350 -0.000 0.000 0.265 396 T C 1.818 176.531 174.700 0.022 0.000 1.038 396 T CA 1.391 63.447 62.100 -0.073 0.000 1.144 396 T CB -0.261 68.488 68.868 -0.198 0.000 0.866 396 T HN 0.303 nan 8.240 nan 0.000 0.434 397 I N 1.810 122.414 120.570 0.057 0.000 2.226 397 I HA -0.106 4.064 4.170 -0.000 0.000 0.245 397 I C 2.955 179.093 176.117 0.035 0.000 1.100 397 I CA 1.161 62.502 61.300 0.068 0.000 1.374 397 I CB -1.610 36.417 38.000 0.044 0.000 1.057 397 I HN 0.182 nan 8.210 nan 0.000 0.413 398 A N 0.933 123.769 122.820 0.026 0.000 1.978 398 A HA -0.086 4.234 4.320 -0.000 0.000 0.220 398 A C 2.406 180.001 177.584 0.019 0.000 1.170 398 A CA 1.759 53.808 52.037 0.021 0.000 0.636 398 A CB -0.633 18.379 19.000 0.021 0.000 0.810 398 A HN 0.428 nan 8.150 nan 0.000 0.448 399 A N -1.802 121.025 122.820 0.012 0.000 2.206 399 A HA 0.390 4.710 4.320 -0.000 0.000 0.211 399 A C 1.762 179.355 177.584 0.014 0.000 1.158 399 A CA 1.248 53.289 52.037 0.006 0.000 0.761 399 A CB -0.945 18.049 19.000 -0.011 0.000 0.801 399 A HN 1.931 nan 8.150 nan 0.000 0.473 400 G N -0.696 108.119 108.800 0.025 0.000 2.132 400 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.228 400 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.228 400 G C -0.296 174.629 174.900 0.041 0.000 1.000 400 G CA 0.193 45.310 45.100 0.028 0.000 0.693 400 G HN 0.608 nan 8.290 nan 0.000 0.515 401 E N 0.179 120.420 120.200 0.068 0.000 2.035 401 E HA 0.513 4.863 4.350 -0.000 0.000 0.271 401 E C 0.303 177.051 176.600 0.247 0.000 0.953 401 E CA -0.282 56.189 56.400 0.119 0.000 0.777 401 E CB 1.772 31.518 29.700 0.077 0.000 1.104 401 E HN 0.825 nan 8.360 nan 0.000 0.408 402 V N -0.290 119.703 119.914 0.131 0.000 3.159 402 V HA 0.593 4.713 4.120 -0.000 0.000 0.308 402 V C 0.189 176.189 176.094 -0.157 0.000 1.190 402 V CA -1.105 61.158 62.300 -0.061 0.000 1.037 402 V CB 1.631 33.401 31.823 -0.089 0.000 1.060 402 V HN 0.554 nan 8.190 nan 0.000 0.437 403 T N -0.334 113.986 114.554 -0.389 0.000 2.788 403 T HA 0.493 4.843 4.350 -0.000 0.000 0.280 403 T C 1.441 176.037 174.700 -0.173 0.000 0.984 403 T CA 0.170 62.105 62.100 -0.275 0.000 0.972 403 T CB 0.945 69.587 68.868 -0.377 0.000 1.039 403 T HN 1.505 nan 8.240 nan 0.000 0.530 404 G N 0.788 109.513 108.800 -0.125 0.000 2.450 404 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.220 404 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.220 404 G C 1.260 176.107 174.900 -0.088 0.000 1.130 404 G CA 1.000 46.047 45.100 -0.088 0.000 0.760 404 G HN 0.946 nan 8.290 nan 0.000 0.557 405 D N 0.884 121.217 120.400 -0.112 0.000 2.144 405 D HA -0.117 4.523 4.640 -0.000 0.000 0.199 405 D C 2.422 178.673 176.300 -0.082 0.000 0.984 405 D CA 0.692 54.634 54.000 -0.097 0.000 0.834 405 D CB -0.554 40.176 40.800 -0.117 0.000 0.955 405 D HN 0.421 nan 8.370 nan 0.000 0.465 406 L N 0.414 121.576 121.223 -0.102 0.000 2.127 406 L HA 0.103 4.443 4.340 -0.000 0.000 0.203 406 L C 2.897 179.736 176.870 -0.051 0.000 1.080 406 L CA 0.826 55.621 54.840 -0.075 0.000 0.768 406 L CB -0.496 41.501 42.059 -0.103 0.000 0.924 406 L HN 0.017 nan 8.230 nan 0.000 0.444 407 A N 0.469 123.254 122.820 -0.059 0.000 1.978 407 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 407 A C 2.459 180.025 177.584 -0.030 0.000 1.170 407 A CA 1.630 53.644 52.037 -0.038 0.000 0.636 407 A CB -0.602 18.375 19.000 -0.040 0.000 0.810 407 A HN 0.395 nan 8.150 nan 0.000 0.448 408 A N -0.435 122.363 122.820 -0.036 0.000 2.125 408 A HA 0.049 4.369 4.320 -0.000 0.000 0.219 408 A C 1.884 179.455 177.584 -0.022 0.000 1.156 408 A CA 1.242 53.261 52.037 -0.029 0.000 0.671 408 A CB -0.481 18.498 19.000 -0.034 0.000 0.794 408 A HN 0.502 nan 8.150 nan 0.000 0.459 409 L N -1.625 119.587 121.223 -0.019 0.000 2.558 409 L HA 0.153 4.493 4.340 -0.000 0.000 0.225 409 L C 0.507 177.373 176.870 -0.006 0.000 1.128 409 L CA 0.249 55.083 54.840 -0.011 0.000 0.868 409 L CB -0.153 41.904 42.059 -0.003 0.000 1.006 409 L HN 0.239 nan 8.230 nan 0.000 0.454 410 R N -1.235 119.261 120.500 -0.007 0.000 2.548 410 R HA 0.276 4.616 4.340 -0.000 0.000 0.280 410 R C 0.570 176.866 176.300 -0.006 0.000 1.061 410 R CA -0.227 55.870 56.100 -0.004 0.000 0.915 410 R CB 1.560 31.861 30.300 0.003 0.000 1.210 410 R HN -0.089 nan 8.270 nan 0.000 0.442 411 G N 0.898 109.695 108.800 -0.006 0.000 2.598 411 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.215 411 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.215 411 G C 0.558 175.455 174.900 -0.004 0.000 1.131 411 G CA 0.560 45.657 45.100 -0.006 0.000 0.785 411 G HN 0.695 nan 8.290 nan 0.000 0.539 412 D N -0.262 120.137 120.400 -0.002 0.000 2.368 412 D HA 0.132 4.772 4.640 -0.000 0.000 0.218 412 D C 0.109 176.410 176.300 0.002 0.000 1.112 412 D CA -0.344 53.656 54.000 0.001 0.000 0.834 412 D CB 0.299 41.100 40.800 0.003 0.000 0.953 412 D HN 0.054 nan 8.370 nan 0.000 0.505 413 V N 1.955 121.869 119.914 -0.000 0.000 2.482 413 V HA 0.391 4.511 4.120 -0.000 0.000 0.295 413 V C -2.307 173.784 176.094 -0.006 0.000 1.026 413 V CA -1.452 60.848 62.300 -0.000 0.000 0.856 413 V CB 2.160 33.983 31.823 0.000 0.000 1.001 413 V HN 0.017 nan 8.190 nan 0.000 0.424 414 P HA 0.508 nan 4.420 nan 0.000 0.276 414 P C -0.712 176.582 177.300 -0.009 0.000 1.252 414 P CA -0.384 62.712 63.100 -0.006 0.000 0.802 414 P CB 1.268 32.967 31.700 -0.002 0.000 1.035 415 A N 1.971 124.783 122.820 -0.014 0.000 2.301 415 A HA 0.595 4.915 4.320 -0.000 0.000 0.312 415 A C -0.167 177.412 177.584 -0.008 0.000 1.182 415 A CA -0.714 51.309 52.037 -0.022 0.000 0.826 415 A CB 0.018 18.998 19.000 -0.033 0.000 1.134 415 A HN 0.490 nan 8.150 nan 0.000 0.501 416 L N 2.072 123.295 121.223 0.000 0.000 2.334 416 L HA 0.451 4.791 4.340 -0.000 0.000 0.275 416 L C 1.074 177.953 176.870 0.014 0.000 1.036 416 L CA -0.632 54.226 54.840 0.030 0.000 0.807 416 L CB 1.923 44.041 42.059 0.099 0.000 1.231 416 L HN 0.929 nan 8.230 nan 0.000 0.438 417 S N 0.128 115.841 115.700 0.021 0.000 2.617 417 S HA 0.103 4.573 4.470 -0.000 0.000 0.259 417 S C 1.042 175.665 174.600 0.038 0.000 1.301 417 S CA -0.263 57.943 58.200 0.011 0.000 0.984 417 S CB 1.082 64.288 63.200 0.009 0.000 0.954 417 S HN 0.654 nan 8.310 nan 0.000 0.572 418 T N 1.564 116.131 114.554 0.022 0.000 2.684 418 T HA -0.126 4.223 4.350 -0.000 0.000 0.267 418 T C 2.166 176.917 174.700 0.084 0.000 1.036 418 T CA 2.166 64.296 62.100 0.049 0.000 1.148 418 T CB -1.212 67.665 68.868 0.014 0.000 0.863 418 T HN 0.964 nan 8.240 nan 0.000 0.436 419 T N 0.739 115.319 114.554 0.044 0.000 2.867 419 T HA -0.012 4.338 4.350 -0.000 0.000 0.268 419 T C 1.752 176.470 174.700 0.029 0.000 1.057 419 T CA 1.056 63.173 62.100 0.028 0.000 1.136 419 T CB -0.337 68.536 68.868 0.009 0.000 0.874 419 T HN 0.452 nan 8.240 nan 0.000 0.466 420 E N 0.226 120.452 120.200 0.043 0.000 2.077 420 E HA -0.007 4.343 4.350 -0.000 0.000 0.193 420 E C 1.703 178.335 176.600 0.054 0.000 0.989 420 E CA 1.071 57.493 56.400 0.037 0.000 0.800 420 E CB -0.290 29.434 29.700 0.040 0.000 0.746 420 E HN 0.570 nan 8.360 nan 0.000 0.452 421 F N 1.433 121.354 119.950 -0.048 0.000 2.146 421 F HA -0.150 4.377 4.527 -0.000 0.000 0.298 421 F C 2.283 178.044 175.800 -0.064 0.000 1.096 421 F CA 1.401 59.365 58.000 -0.059 0.000 1.275 421 F CB -0.371 38.592 39.000 -0.063 0.000 1.008 421 F HN -0.138 nan 8.300 nan 0.000 0.480 422 T N 0.574 115.098 114.554 -0.049 0.000 2.746 422 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 422 T C 2.211 176.807 174.700 -0.173 0.000 1.039 422 T CA 1.459 63.483 62.100 -0.127 0.000 1.142 422 T CB -0.775 68.084 68.868 -0.015 0.000 0.866 422 T HN 0.362 nan 8.240 nan 0.000 0.444 423 A N 1.309 124.061 122.820 -0.114 0.000 1.933 423 A HA 0.175 4.495 4.320 -0.000 0.000 0.218 423 A C 2.633 180.118 177.584 -0.165 0.000 1.175 423 A CA 1.788 53.763 52.037 -0.104 0.000 0.628 423 A CB -1.048 17.916 19.000 -0.059 0.000 0.814 423 A HN 0.504 nan 8.150 nan 0.000 0.444 424 A N -0.285 122.405 122.820 -0.216 0.000 1.902 424 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 424 A C 2.185 179.545 177.584 -0.374 0.000 1.181 424 A CA 1.528 53.411 52.037 -0.258 0.000 0.623 424 A CB -0.571 18.286 19.000 -0.238 0.000 0.818 424 A HN 0.471 nan 8.150 nan 0.000 0.443 425 L N -0.750 120.152 121.223 -0.535 0.000 2.027 425 L HA -0.140 4.200 4.340 -0.000 0.000 0.206 425 L C 2.464 178.975 176.870 -0.599 0.000 1.074 425 L CA 1.254 55.743 54.840 -0.586 0.000 0.745 425 L CB -0.419 41.278 42.059 -0.604 0.000 0.898 425 L HN 0.363 nan 8.230 nan 0.000 0.433 426 I N 0.064 120.411 120.570 -0.373 0.000 2.361 426 I HA -0.255 3.915 4.170 -0.000 0.000 0.251 426 I C 2.316 178.321 176.117 -0.187 0.000 1.133 426 I CA 1.048 62.225 61.300 -0.206 0.000 1.413 426 I CB -0.278 37.736 38.000 0.023 0.000 1.073 426 I HN 0.346 nan 8.210 nan 0.000 0.424 427 R N 1.121 121.507 120.500 -0.189 0.000 2.328 427 R HA 0.027 4.367 4.340 -0.000 0.000 0.206 427 R C 1.460 177.667 176.300 -0.155 0.000 0.990 427 R CA 0.338 56.366 56.100 -0.120 0.000 1.085 427 R CB -0.313 29.933 30.300 -0.090 0.000 0.998 427 R HN 0.363 nan 8.270 nan 0.000 0.484 428 R N -0.029 120.291 120.500 -0.299 0.000 2.308 428 R HA 0.209 4.549 4.340 -0.000 0.000 0.202 428 R C 0.160 176.354 176.300 -0.176 0.000 0.898 428 R CA -0.126 55.820 56.100 -0.257 0.000 1.046 428 R CB 0.143 30.250 30.300 -0.322 0.000 1.026 428 R HN 0.105 nan 8.270 nan 0.000 0.512 429 F N 0.000 119.918 119.950 -0.053 0.000 2.286 429 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 429 F CA 0.000 57.970 58.000 -0.050 0.000 1.383 429 F CB 0.000 38.970 39.000 -0.050 0.000 1.145 429 F HN 0.000 nan 8.300 nan 0.000 0.574