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_D 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 0.000 174.537 174.700 -0.271 0.000 1.109 3 T CA 0.000 62.063 62.100 -0.062 0.000 1.349 3 T CB 0.000 68.884 68.868 0.027 0.000 0.612 4 H N 1.384 120.430 119.070 -0.041 0.000 3.058 4 H HA 0.520 5.076 4.556 -0.000 0.000 0.266 4 H C 0.437 175.866 175.328 0.169 0.000 1.135 4 H CA -0.132 55.864 56.048 -0.088 0.000 1.174 4 H CB 0.435 29.933 29.762 -0.439 0.000 1.581 4 H HN 0.384 nan 8.280 nan 0.000 0.553 5 I N 1.882 122.630 120.570 0.297 0.000 2.474 5 I HA 0.082 4.252 4.170 -0.000 0.000 0.287 5 I C -0.205 176.004 176.117 0.153 0.000 1.048 5 I CA 0.202 61.653 61.300 0.251 0.000 1.383 5 I CB 0.938 39.061 38.000 0.205 0.000 1.412 5 I HN 0.134 nan 8.210 nan 0.000 0.531 6 Q N 6.334 126.212 119.800 0.131 0.000 2.347 6 Q HA 0.267 4.607 4.340 -0.000 0.000 0.265 6 Q C -0.697 175.345 176.000 0.071 0.000 1.024 6 Q CA -0.754 55.107 55.803 0.096 0.000 0.731 6 Q CB 2.372 31.172 28.738 0.103 0.000 1.245 6 Q HN 0.447 nan 8.270 nan 0.000 0.472 7 K N 3.542 123.977 120.400 0.058 0.000 2.350 7 K HA 0.255 4.575 4.320 -0.000 0.000 0.279 7 K C -2.138 174.485 176.600 0.039 0.000 1.027 7 K CA -1.296 55.009 56.287 0.030 0.000 0.969 7 K CB 0.499 33.033 32.500 0.058 0.000 0.954 7 K HN 0.217 nan 8.250 nan 0.000 0.474 8 P HA 0.047 nan 4.420 nan 0.000 0.271 8 P C -0.319 177.003 177.300 0.037 0.000 1.216 8 P CA -0.133 62.991 63.100 0.040 0.000 0.771 8 P CB 1.283 33.001 31.700 0.031 0.000 0.864 9 A N 2.968 125.813 122.820 0.041 0.000 2.015 9 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 9 A C 1.623 179.227 177.584 0.034 0.000 1.163 9 A CA 1.779 53.839 52.037 0.038 0.000 0.646 9 A CB -1.110 17.912 19.000 0.036 0.000 0.806 9 A HN 0.597 nan 8.150 nan 0.000 0.448 10 T N -1.092 113.481 114.554 0.032 0.000 3.037 10 T HA 0.311 4.661 4.350 -0.000 0.000 0.251 10 T C 1.123 175.837 174.700 0.024 0.000 1.079 10 T CA 0.304 62.421 62.100 0.027 0.000 1.067 10 T CB -0.038 68.846 68.868 0.027 0.000 0.948 10 T HN 0.448 nan 8.240 nan 0.000 0.496 11 G N 0.979 109.790 108.800 0.019 0.000 2.572 11 G HA2 0.504 4.463 3.960 -0.000 0.000 0.261 11 G HA3 0.504 4.463 3.960 -0.000 0.000 0.261 11 G C -0.674 174.246 174.900 0.032 0.000 1.197 11 G CA -0.393 44.714 45.100 0.011 0.000 0.870 11 G HN 0.279 nan 8.290 nan 0.000 0.548 12 S N 1.088 116.810 115.700 0.037 0.000 2.548 12 S HA 0.655 5.125 4.470 -0.000 0.000 0.286 12 S C -2.626 172.027 174.600 0.088 0.000 1.098 12 S CA -0.812 57.426 58.200 0.063 0.000 0.930 12 S CB 2.755 65.983 63.200 0.046 0.000 1.070 12 S HN 0.583 nan 8.310 nan 0.000 0.480 13 P HA 0.268 nan 4.420 nan 0.000 0.274 13 P C -0.878 176.474 177.300 0.087 0.000 1.231 13 P CA -0.631 62.582 63.100 0.187 0.000 0.790 13 P CB 0.390 32.188 31.700 0.165 0.000 0.951 14 L N 2.158 123.428 121.223 0.078 0.000 2.461 14 L HA 0.264 4.604 4.340 -0.000 0.000 0.272 14 L C 1.343 178.215 176.870 0.005 0.000 1.197 14 L CA 1.065 55.917 54.840 0.021 0.000 0.836 14 L CB -0.383 41.682 42.059 0.010 0.000 1.105 14 L HN 0.606 nan 8.230 nan 0.000 0.477 15 T N 0.701 115.250 114.554 -0.008 0.000 2.887 15 T HA 0.789 5.139 4.350 -0.000 0.000 0.292 15 T C -0.573 174.113 174.700 -0.023 0.000 1.087 15 T CA -0.927 61.163 62.100 -0.016 0.000 1.009 15 T CB 1.375 70.239 68.868 -0.007 0.000 1.203 15 T HN 0.311 nan 8.240 nan 0.000 0.518 16 L N 1.103 122.313 121.223 -0.022 0.000 2.386 16 L HA 0.731 5.071 4.340 -0.000 0.000 0.271 16 L C -1.533 175.331 176.870 -0.010 0.000 0.993 16 L CA -1.160 53.668 54.840 -0.019 0.000 0.819 16 L CB 2.069 44.115 42.059 -0.021 0.000 1.294 16 L HN 0.601 nan 8.230 nan 0.000 0.414 17 L N 3.628 124.846 121.223 -0.007 0.000 2.446 17 L HA 0.439 4.779 4.340 -0.000 0.000 0.268 17 L C -0.162 176.707 176.870 -0.001 0.000 0.975 17 L CA 0.040 54.878 54.840 -0.003 0.000 0.848 17 L CB 1.188 43.245 42.059 -0.003 0.000 1.225 17 L HN 0.653 nan 8.230 nan 0.000 0.410 18 N N 4.167 122.869 118.700 0.003 0.000 2.716 18 N HA -0.200 4.540 4.740 -0.000 0.000 0.250 18 N C 0.974 176.489 175.510 0.008 0.000 1.033 18 N CA 1.007 54.061 53.050 0.006 0.000 0.727 18 N CB -0.927 37.562 38.487 0.004 0.000 0.950 18 N HN 1.271 nan 8.380 nan 0.000 0.541 19 G N -2.704 106.101 108.800 0.009 0.000 2.205 19 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.261 19 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.261 19 G C 0.100 175.000 174.900 0.000 0.000 0.980 19 G CA 0.248 45.356 45.100 0.012 0.000 0.632 19 G HN 0.442 nan 8.290 nan 0.000 0.533 20 V N 1.820 121.730 119.914 -0.007 0.000 2.370 20 V HA 0.615 4.735 4.120 -0.000 0.000 0.279 20 V C 0.610 176.687 176.094 -0.029 0.000 1.029 20 V CA -0.845 61.444 62.300 -0.018 0.000 0.870 20 V CB 1.553 33.368 31.823 -0.012 0.000 0.984 20 V HN 0.388 nan 8.190 nan 0.000 0.451 21 L N 5.926 127.117 121.223 -0.053 0.000 2.410 21 L HA 0.269 4.609 4.340 -0.000 0.000 0.273 21 L C 0.246 177.090 176.870 -0.043 0.000 1.144 21 L CA 0.636 55.438 54.840 -0.063 0.000 0.863 21 L CB 0.635 42.621 42.059 -0.123 0.000 1.140 21 L HN 0.610 nan 8.230 nan 0.000 0.463 22 Q N 5.189 124.972 119.800 -0.028 0.000 2.340 22 Q HA 0.397 4.737 4.340 -0.000 0.000 0.259 22 Q C -1.097 174.898 176.000 -0.007 0.000 0.964 22 Q CA -0.491 55.306 55.803 -0.011 0.000 0.900 22 Q CB 1.887 30.622 28.738 -0.004 0.000 1.228 22 Q HN 0.434 nan 8.270 nan 0.000 0.449 23 V N 4.943 124.863 119.914 0.010 0.000 2.334 23 V HA 0.304 4.424 4.120 -0.000 0.000 0.281 23 V C -2.040 174.103 176.094 0.081 0.000 1.016 23 V CA -1.729 60.581 62.300 0.018 0.000 0.832 23 V CB 1.303 33.121 31.823 -0.009 0.000 0.999 23 V HN 0.581 nan 8.190 nan 0.000 0.439 24 P HA 0.178 nan 4.420 nan 0.000 0.270 24 P C 0.401 177.799 177.300 0.162 0.000 1.223 24 P CA -0.239 62.907 63.100 0.077 0.000 0.785 24 P CB 0.721 32.451 31.700 0.050 0.000 0.923 25 D N 0.104 120.569 120.400 0.108 0.000 2.310 25 D HA -0.099 4.541 4.640 -0.000 0.000 0.212 25 D C 0.307 176.700 176.300 0.156 0.000 0.965 25 D CA 1.359 55.414 54.000 0.092 0.000 0.879 25 D CB 0.122 40.884 40.800 -0.064 0.000 0.921 25 D HN 0.484 nan 8.370 nan 0.000 0.510 26 Q N 0.697 120.563 119.800 0.111 0.000 2.965 26 Q HA 0.232 4.572 4.340 -0.000 0.000 0.288 26 Q C -2.519 173.499 176.000 0.030 0.000 0.974 26 Q CA -1.539 54.311 55.803 0.080 0.000 0.849 26 Q CB 2.253 31.012 28.738 0.035 0.000 1.280 26 Q HN 0.126 nan 8.270 nan 0.000 0.441 27 P HA 0.189 nan 4.420 nan 0.000 0.284 27 P C -0.160 177.051 177.300 -0.148 0.000 1.253 27 P CA -0.247 62.805 63.100 -0.079 0.000 0.800 27 P CB 1.343 32.941 31.700 -0.170 0.000 0.961 28 I N 3.921 124.430 120.570 -0.103 0.000 2.452 28 I HA 0.158 4.328 4.170 -0.000 0.000 0.287 28 I C 0.392 176.393 176.117 -0.195 0.000 1.079 28 I CA 0.023 61.220 61.300 -0.173 0.000 1.387 28 I CB 0.141 38.005 38.000 -0.226 0.000 1.404 28 I HN 0.103 nan 8.210 nan 0.000 0.522 29 I N 8.982 129.417 120.570 -0.225 0.000 2.448 29 I HA 0.348 4.518 4.170 -0.000 0.000 0.281 29 I C -2.380 173.780 176.117 0.071 0.000 1.027 29 I CA -2.574 58.639 61.300 -0.146 0.000 1.111 29 I CB 1.269 39.049 38.000 -0.368 0.000 1.236 29 I HN 0.165 nan 8.210 nan 0.000 0.452 30 P HA 0.238 nan 4.420 nan 0.000 0.269 30 P C -0.852 176.638 177.300 0.317 0.000 1.209 30 P CA 0.240 63.416 63.100 0.128 0.000 0.776 30 P CB 0.375 32.105 31.700 0.050 0.000 0.876 31 F N 0.853 120.860 119.950 0.096 0.000 2.613 31 F HA 0.759 5.286 4.527 -0.000 0.000 0.310 31 F C -1.554 174.210 175.800 -0.059 0.000 1.085 31 F CA -1.328 56.712 58.000 0.067 0.000 0.945 31 F CB 1.274 40.325 39.000 0.084 0.000 1.298 31 F HN 0.039 nan 8.300 nan 0.000 0.455 32 I N 2.804 123.321 120.570 -0.087 0.000 2.418 32 I HA 0.232 4.402 4.170 -0.000 0.000 0.287 32 I C 0.831 176.950 176.117 0.003 0.000 1.008 32 I CA -0.485 60.694 61.300 -0.203 0.000 1.104 32 I CB 2.033 39.972 38.000 -0.102 0.000 1.264 32 I HN 0.986 nan 8.210 nan 0.000 0.438 33 E N 5.179 125.364 120.200 -0.024 0.000 2.038 33 E HA -0.025 4.325 4.350 -0.000 0.000 0.195 33 E C 0.808 177.457 176.600 0.082 0.000 1.000 33 E CA 1.196 57.660 56.400 0.107 0.000 0.803 33 E CB 0.138 29.900 29.700 0.105 0.000 0.750 33 E HN 0.911 nan 8.360 nan 0.000 0.448 34 G N 0.766 109.601 108.800 0.059 0.000 2.675 34 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.686 34 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.686 34 G C -1.105 173.835 174.900 0.067 0.000 1.215 34 G CA -0.276 44.860 45.100 0.061 0.000 0.777 34 G HN 0.233 nan 8.290 nan 0.000 0.638 35 D N 0.485 120.924 120.400 0.065 0.000 2.377 35 D HA 0.547 5.187 4.640 -0.000 0.000 0.245 35 D C 1.609 177.943 176.300 0.057 0.000 1.196 35 D CA 1.403 55.441 54.000 0.062 0.000 0.962 35 D CB 0.771 41.607 40.800 0.060 0.000 1.127 35 D HN 1.672 nan 8.370 nan 0.000 0.471 36 G N 0.937 109.765 108.800 0.046 0.000 2.651 36 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.315 36 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.315 36 G C 1.227 176.147 174.900 0.033 0.000 1.258 36 G CA 0.799 45.919 45.100 0.034 0.000 1.002 36 G HN 0.710 nan 8.290 nan 0.000 0.551 37 I N 0.293 120.880 120.570 0.028 0.000 3.010 37 I HA 0.234 4.404 4.170 -0.000 0.000 0.271 37 I C 2.368 178.515 176.117 0.051 0.000 1.293 37 I CA 1.677 62.988 61.300 0.018 0.000 1.452 37 I CB -0.903 37.077 38.000 -0.034 0.000 1.082 37 I HN 0.600 nan 8.210 nan 0.000 0.484 38 G N 2.016 110.861 108.800 0.076 0.000 2.475 38 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.220 38 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.220 38 G C 1.719 176.656 174.900 0.061 0.000 1.125 38 G CA 1.094 46.244 45.100 0.082 0.000 0.755 38 G HN 0.787 nan 8.290 nan 0.000 0.565 39 C N -0.902 118.427 119.300 0.049 0.000 2.456 39 C HA 0.148 4.608 4.460 -0.000 0.000 0.279 39 C C 1.898 176.901 174.990 0.023 0.000 1.427 39 C CA 0.640 59.682 59.018 0.040 0.000 1.778 39 C CB -0.382 27.380 27.740 0.036 0.000 1.842 39 C HN 0.323 nan 8.230 nan 0.000 0.531 40 D N 1.440 121.851 120.400 0.019 0.000 2.369 40 D HA -0.011 4.629 4.640 -0.000 0.000 0.231 40 D C 2.564 178.871 176.300 0.011 0.000 0.967 40 D CA 1.873 55.877 54.000 0.007 0.000 0.905 40 D CB -0.086 40.710 40.800 -0.006 0.000 1.044 40 D HN 0.575 nan 8.370 nan 0.000 0.487 41 V N -0.652 119.279 119.914 0.027 0.000 2.649 41 V HA -0.035 4.085 4.120 -0.000 0.000 0.248 41 V C 2.142 178.247 176.094 0.017 0.000 1.054 41 V CA 1.361 63.685 62.300 0.041 0.000 1.073 41 V CB -0.774 31.106 31.823 0.095 0.000 0.699 41 V HN -0.039 nan 8.190 nan 0.000 0.463 42 T N 1.462 116.021 114.554 0.009 0.000 2.737 42 T HA 0.006 4.356 4.350 -0.000 0.000 0.265 42 T C 0.003 174.610 174.700 -0.154 0.000 1.038 42 T CA 2.274 64.345 62.100 -0.049 0.000 1.144 42 T CB -1.155 67.726 68.868 0.021 0.000 0.866 42 T HN 0.494 nan 8.240 nan 0.000 0.434 43 P HA 0.008 nan 4.420 nan 0.000 0.216 43 P C 1.433 178.660 177.300 -0.122 0.000 1.150 43 P CA 1.129 64.141 63.100 -0.146 0.000 0.837 43 P CB -0.185 31.471 31.700 -0.073 0.000 0.786 44 A N -0.223 122.560 122.820 -0.062 0.000 1.877 44 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 44 A C 2.217 179.779 177.584 -0.036 0.000 1.186 44 A CA 1.942 53.964 52.037 -0.025 0.000 0.620 44 A CB -1.597 17.421 19.000 0.029 0.000 0.822 44 A HN 0.093 nan 8.150 nan 0.000 0.443 45 M N -0.149 119.419 119.600 -0.054 0.000 2.086 45 M HA -0.152 4.328 4.480 -0.000 0.000 0.261 45 M C 2.133 178.369 176.300 -0.107 0.000 1.067 45 M CA 1.841 57.112 55.300 -0.048 0.000 1.116 45 M CB -0.726 31.846 32.600 -0.046 0.000 1.348 45 M HN 0.443 nan 8.290 nan 0.000 0.407 46 R N -0.418 119.902 120.500 -0.302 0.000 2.096 46 R HA -0.072 4.268 4.340 -0.000 0.000 0.235 46 R C 2.221 178.434 176.300 -0.146 0.000 1.127 46 R CA 1.865 57.694 56.100 -0.453 0.000 0.968 46 R CB -0.392 29.316 30.300 -0.988 0.000 0.861 46 R HN 0.441 nan 8.270 nan 0.000 0.440 47 S N 0.344 115.979 115.700 -0.109 0.000 2.383 47 S HA -0.077 4.393 4.470 -0.000 0.000 0.227 47 S C 2.130 176.771 174.600 0.067 0.000 1.026 47 S CA 1.036 59.225 58.200 -0.017 0.000 0.981 47 S CB -0.145 63.040 63.200 -0.025 0.000 0.818 47 S HN 0.045 nan 8.310 nan 0.000 0.472 48 V N 1.686 121.645 119.914 0.075 0.000 2.295 48 V HA -0.137 3.983 4.120 -0.000 0.000 0.246 48 V C 2.378 178.593 176.094 0.201 0.000 1.049 48 V CA 1.396 63.803 62.300 0.179 0.000 1.024 48 V CB -0.744 31.161 31.823 0.137 0.000 0.648 48 V HN 0.340 nan 8.190 nan 0.000 0.447 49 V N 0.206 120.214 119.914 0.158 0.000 2.295 49 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 49 V C 2.296 178.495 176.094 0.174 0.000 1.049 49 V CA 2.286 64.694 62.300 0.181 0.000 1.024 49 V CB -0.701 31.302 31.823 0.301 0.000 0.648 49 V HN 0.549 nan 8.190 nan 0.000 0.447 50 D N 0.258 120.789 120.400 0.218 0.000 2.117 50 D HA -0.105 4.534 4.640 -0.000 0.000 0.197 50 D C 2.195 178.557 176.300 0.103 0.000 0.987 50 D CA 1.616 55.734 54.000 0.196 0.000 0.829 50 D CB -0.330 40.599 40.800 0.215 0.000 0.961 50 D HN 0.440 nan 8.370 nan 0.000 0.460 51 A N 0.918 123.803 122.820 0.109 0.000 1.898 51 A HA 0.006 4.326 4.320 -0.000 0.000 0.216 51 A C 2.295 179.822 177.584 -0.095 0.000 1.181 51 A CA 2.052 54.151 52.037 0.104 0.000 0.620 51 A CB -0.657 18.499 19.000 0.259 0.000 0.819 51 A HN 0.227 nan 8.150 nan 0.000 0.442 52 A N -0.472 122.155 122.820 -0.322 0.000 1.877 52 A HA -0.005 4.315 4.320 -0.000 0.000 0.216 52 A C 2.222 179.553 177.584 -0.422 0.000 1.186 52 A CA 1.786 53.334 52.037 -0.816 0.000 0.620 52 A CB -1.028 17.479 19.000 -0.822 0.000 0.822 52 A HN 0.393 nan 8.150 nan 0.000 0.443 53 V N 0.016 119.832 119.914 -0.163 0.000 2.332 53 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 53 V C 3.059 179.107 176.094 -0.077 0.000 1.055 53 V CA 2.024 64.298 62.300 -0.043 0.000 1.038 53 V CB -1.304 30.637 31.823 0.196 0.000 0.651 53 V HN 0.627 nan 8.190 nan 0.000 0.450 54 A N -0.400 122.390 122.820 -0.049 0.000 1.902 54 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 54 A C 2.385 179.917 177.584 -0.086 0.000 1.181 54 A CA 2.137 54.153 52.037 -0.035 0.000 0.623 54 A CB -0.476 18.525 19.000 0.002 0.000 0.818 54 A HN 0.437 nan 8.150 nan 0.000 0.443 55 K N -0.088 120.224 120.400 -0.147 0.000 2.001 55 K HA -0.058 4.262 4.320 -0.000 0.000 0.208 55 K C 1.917 178.381 176.600 -0.226 0.000 1.048 55 K CA 1.760 57.954 56.287 -0.155 0.000 0.932 55 K CB -0.468 31.941 32.500 -0.152 0.000 0.715 55 K HN 0.256 nan 8.250 nan 0.000 0.437 56 V N 0.650 120.326 119.914 -0.396 0.000 2.427 56 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 56 V C 1.497 177.266 176.094 -0.541 0.000 1.051 56 V CA 1.455 63.423 62.300 -0.553 0.000 1.048 56 V CB -0.493 30.814 31.823 -0.859 0.000 0.666 56 V HN 0.250 nan 8.190 nan 0.000 0.456 57 Y N 0.012 120.206 120.300 -0.178 0.000 2.467 57 Y HA 0.490 5.039 4.550 -0.000 0.000 0.250 57 Y C 1.888 177.700 175.900 -0.147 0.000 1.155 57 Y CA -0.351 57.629 58.100 -0.199 0.000 1.249 57 Y CB -0.375 37.897 38.460 -0.315 0.000 1.146 57 Y HN 0.265 nan 8.280 nan 0.000 0.524 58 G N 0.649 109.439 108.800 -0.018 0.000 2.321 58 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.287 58 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.287 58 G C 1.316 176.210 174.900 -0.010 0.000 1.018 58 G CA 0.697 45.785 45.100 -0.020 0.000 0.855 58 G HN 1.159 nan 8.290 nan 0.000 0.507 59 G N -1.612 107.185 108.800 -0.004 0.000 2.194 59 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.236 59 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.236 59 G C 0.951 175.834 174.900 -0.027 0.000 0.987 59 G CA 1.198 46.293 45.100 -0.008 0.000 0.635 59 G HN 1.363 nan 8.290 nan 0.000 0.520 60 Q N 0.246 120.020 119.800 -0.043 0.000 2.224 60 Q HA 0.162 4.502 4.340 -0.000 0.000 0.203 60 Q C 1.451 177.362 176.000 -0.149 0.000 0.970 60 Q CA 1.477 57.224 55.803 -0.094 0.000 0.865 60 Q CB 0.037 28.698 28.738 -0.127 0.000 0.922 60 Q HN 0.706 nan 8.270 nan 0.000 0.445 61 R N -0.494 119.902 120.500 -0.173 0.000 2.854 61 R HA 0.548 4.888 4.340 -0.000 0.000 0.271 61 R C -1.313 174.963 176.300 -0.040 0.000 0.994 61 R CA -0.658 55.303 56.100 -0.232 0.000 0.945 61 R CB 1.884 31.712 30.300 -0.785 0.000 1.194 61 R HN 0.023 nan 8.270 nan 0.000 0.476 62 Q N 2.299 122.147 119.800 0.079 0.000 2.429 62 Q HA 0.200 4.540 4.340 -0.000 0.000 0.247 62 Q C -1.285 174.772 176.000 0.095 0.000 0.915 62 Q CA -0.603 55.265 55.803 0.107 0.000 0.971 62 Q CB 1.327 30.099 28.738 0.057 0.000 1.468 62 Q HN 0.439 nan 8.270 nan 0.000 0.439 63 I N 2.627 123.195 120.570 -0.003 0.000 2.598 63 I HA 0.114 4.284 4.170 -0.000 0.000 0.284 63 I C 0.495 176.372 176.117 -0.400 0.000 1.140 63 I CA 0.525 61.601 61.300 -0.373 0.000 1.420 63 I CB 0.616 38.063 38.000 -0.922 0.000 1.387 63 I HN 0.716 nan 8.210 nan 0.000 0.553 64 A N 8.221 130.852 122.820 -0.316 0.000 2.798 64 A HA 0.303 4.623 4.320 -0.000 0.000 0.316 64 A C -0.507 176.979 177.584 -0.162 0.000 1.506 64 A CA -0.598 51.342 52.037 -0.161 0.000 1.162 64 A CB -0.473 18.478 19.000 -0.082 0.000 1.138 64 A HN 0.665 nan 8.150 nan 0.000 0.532 65 W N 1.696 123.007 121.300 0.018 0.000 2.210 65 W HA 0.411 5.071 4.660 -0.000 0.000 0.330 65 W C 0.524 177.121 176.519 0.131 0.000 1.334 65 W CA 0.033 57.422 57.345 0.074 0.000 1.227 65 W CB 0.548 30.008 29.460 0.000 0.000 1.178 65 W HN 0.537 nan 8.180 nan 0.000 0.560 66 M N 3.345 123.196 119.600 0.419 0.000 2.106 66 M HA 0.208 4.688 4.480 -0.000 0.000 0.288 66 M C -0.649 175.657 176.300 0.011 0.000 0.941 66 M CA -0.465 54.928 55.300 0.155 0.000 0.934 66 M CB 1.067 33.619 32.600 -0.080 0.000 1.551 66 M HN 0.493 nan 8.290 nan 0.000 0.437 67 E N 4.810 124.905 120.200 -0.176 0.000 2.316 67 E HA 0.419 4.769 4.350 -0.000 0.000 0.275 67 E C -1.543 174.562 176.600 -0.824 0.000 1.029 67 E CA -0.198 55.665 56.400 -0.895 0.000 0.871 67 E CB 0.858 30.063 29.700 -0.824 0.000 1.022 67 E HN 0.715 nan 8.360 nan 0.000 0.418 68 L N 3.821 124.486 121.223 -0.929 0.000 2.303 68 L HA 0.575 4.915 4.340 -0.000 0.000 0.266 68 L C -0.706 175.588 176.870 -0.960 0.000 1.011 68 L CA -1.095 53.335 54.840 -0.684 0.000 0.818 68 L CB 1.097 42.993 42.059 -0.272 0.000 1.326 68 L HN 0.535 nan 8.230 nan 0.000 0.435 69 F N 0.242 120.155 119.950 -0.061 0.000 2.546 69 F HA 0.835 5.361 4.527 -0.000 0.000 0.320 69 F C 0.163 175.899 175.800 -0.108 0.000 1.076 69 F CA -0.585 57.377 58.000 -0.063 0.000 0.928 69 F CB 2.133 41.165 39.000 0.054 0.000 1.189 69 F HN 0.487 nan 8.300 nan 0.000 0.465 70 A N 1.103 123.982 122.820 0.098 0.000 2.608 70 A HA 0.794 5.114 4.320 -0.000 0.000 0.292 70 A C -0.120 177.515 177.584 0.085 0.000 1.066 70 A CA -0.215 51.849 52.037 0.046 0.000 0.676 70 A CB 0.873 19.884 19.000 0.019 0.000 1.277 70 A HN 1.853 nan 8.150 nan 0.000 0.413 71 G N 0.262 109.138 108.800 0.127 0.000 2.539 71 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.256 71 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.256 71 G C 0.646 175.626 174.900 0.133 0.000 1.233 71 G CA 0.587 45.804 45.100 0.195 0.000 0.936 71 G HN 1.089 nan 8.290 nan 0.000 0.571 72 Q N -0.075 119.798 119.800 0.121 0.000 2.124 72 Q HA -0.087 4.253 4.340 -0.000 0.000 0.202 72 Q C 2.558 178.561 176.000 0.005 0.000 0.977 72 Q CA 1.984 57.817 55.803 0.051 0.000 0.850 72 Q CB -0.363 28.415 28.738 0.065 0.000 0.901 72 Q HN 0.716 nan 8.270 nan 0.000 0.429 73 K N 0.459 120.888 120.400 0.047 0.000 2.057 73 K HA -0.091 4.229 4.320 -0.000 0.000 0.207 73 K C 2.051 178.651 176.600 0.001 0.000 1.049 73 K CA 1.103 57.419 56.287 0.049 0.000 0.931 73 K CB -0.059 32.536 32.500 0.158 0.000 0.714 73 K HN 0.161 nan 8.250 nan 0.000 0.440 74 A N 0.546 123.395 122.820 0.047 0.000 1.908 74 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 74 A C 2.205 179.759 177.584 -0.049 0.000 1.181 74 A CA 1.622 53.669 52.037 0.017 0.000 0.627 74 A CB -0.646 18.308 19.000 -0.076 0.000 0.818 74 A HN 0.167 nan 8.150 nan 0.000 0.445 75 V N 0.002 119.822 119.914 -0.157 0.000 2.392 75 V HA -0.331 3.789 4.120 -0.000 0.000 0.249 75 V C 2.614 178.627 176.094 -0.136 0.000 1.059 75 V CA 2.265 64.434 62.300 -0.218 0.000 1.051 75 V CB -0.895 30.710 31.823 -0.363 0.000 0.658 75 V HN 0.646 nan 8.190 nan 0.000 0.455 76 Q N -0.721 119.006 119.800 -0.120 0.000 2.170 76 Q HA -0.125 4.215 4.340 -0.000 0.000 0.203 76 Q C 2.191 178.086 176.000 -0.175 0.000 0.976 76 Q CA 1.418 57.148 55.803 -0.120 0.000 0.858 76 Q CB -0.081 28.597 28.738 -0.100 0.000 0.907 76 Q HN 0.568 nan 8.270 nan 0.000 0.433 77 L N -1.983 119.079 121.223 -0.269 0.000 2.316 77 L HA -0.010 4.330 4.340 -0.000 0.000 0.207 77 L C 1.382 177.910 176.870 -0.571 0.000 1.070 77 L CA 0.566 55.072 54.840 -0.557 0.000 0.820 77 L CB 0.036 41.455 42.059 -1.068 0.000 0.992 77 L HN 0.176 nan 8.230 nan 0.000 0.466 78 Y N 0.011 120.079 120.300 -0.387 0.000 2.497 78 Y HA 0.427 4.977 4.550 -0.000 0.000 0.265 78 Y C 1.261 177.104 175.900 -0.096 0.000 1.111 78 Y CA 0.262 58.258 58.100 -0.174 0.000 1.288 78 Y CB 0.490 38.868 38.460 -0.138 0.000 1.082 78 Y HN 0.147 nan 8.280 nan 0.000 0.536 79 G N 0.378 109.185 108.800 0.011 0.000 2.423 79 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.684 79 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.684 79 G C -1.070 173.787 174.900 -0.071 0.000 1.309 79 G CA -1.062 44.024 45.100 -0.023 0.000 0.950 79 G HN 0.003 nan 8.290 nan 0.000 0.587 80 E N 0.178 120.339 120.200 -0.065 0.000 2.465 80 E HA 0.354 4.704 4.350 -0.000 0.000 0.260 80 E C 1.548 178.091 176.600 -0.094 0.000 0.980 80 E CA 1.648 57.995 56.400 -0.087 0.000 0.927 80 E CB 0.140 29.816 29.700 -0.039 0.000 0.934 80 E HN 2.248 nan 8.360 nan 0.000 0.459 81 G N 3.647 112.344 108.800 -0.172 0.000 2.212 81 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.266 81 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.266 81 G C 0.286 175.122 174.900 -0.107 0.000 0.978 81 G CA 0.099 45.156 45.100 -0.072 0.000 0.632 81 G HN 0.542 nan 8.290 nan 0.000 0.537 82 Q N 0.391 120.064 119.800 -0.211 0.000 3.254 82 Q HA 0.374 4.714 4.340 -0.000 0.000 0.315 82 Q C 0.962 176.828 176.000 -0.223 0.000 1.405 82 Q CA -0.255 55.458 55.803 -0.150 0.000 0.966 82 Q CB -0.450 28.238 28.738 -0.084 0.000 1.706 82 Q HN 0.704 nan 8.270 nan 0.000 0.525 83 Y N 0.117 120.382 120.300 -0.058 0.000 2.293 83 Y HA -0.136 4.413 4.550 -0.000 0.000 0.291 83 Y C 1.028 176.876 175.900 -0.086 0.000 1.137 83 Y CA 0.637 58.702 58.100 -0.058 0.000 1.202 83 Y CB 0.490 38.927 38.460 -0.038 0.000 0.990 83 Y HN 0.230 nan 8.280 nan 0.000 0.537 84 L N 1.327 122.575 121.223 0.041 0.000 2.490 84 L HA 0.513 4.853 4.340 -0.000 0.000 0.256 84 L C -2.965 173.844 176.870 -0.102 0.000 1.089 84 L CA -2.461 52.359 54.840 -0.033 0.000 0.916 84 L CB 0.548 42.611 42.059 0.005 0.000 1.188 84 L HN -0.273 nan 8.230 nan 0.000 0.476 85 P HA 0.156 nan 4.420 nan 0.000 0.266 85 P C 0.106 177.339 177.300 -0.111 0.000 1.195 85 P CA 0.033 62.966 63.100 -0.278 0.000 0.768 85 P CB 0.757 32.036 31.700 -0.702 0.000 0.838 86 D N 1.914 122.290 120.400 -0.040 0.000 2.182 86 D HA -0.190 4.450 4.640 -0.000 0.000 0.201 86 D C 1.581 177.895 176.300 0.023 0.000 0.986 86 D CA 1.362 55.362 54.000 -0.001 0.000 0.847 86 D CB -0.191 40.620 40.800 0.019 0.000 0.942 86 D HN 0.673 nan 8.370 nan 0.000 0.467 87 E N 0.266 120.497 120.200 0.053 0.000 2.268 87 E HA -0.121 4.229 4.350 -0.000 0.000 0.195 87 E C 1.534 178.189 176.600 0.090 0.000 0.995 87 E CA 1.091 57.550 56.400 0.099 0.000 0.836 87 E CB -0.313 29.491 29.700 0.173 0.000 0.763 87 E HN 0.026 nan 8.360 nan 0.000 0.491 88 T N 1.190 115.771 114.554 0.044 0.000 2.643 88 T HA -0.108 4.241 4.350 -0.000 0.000 0.264 88 T C 1.749 176.470 174.700 0.034 0.000 1.045 88 T CA 1.632 63.749 62.100 0.029 0.000 1.155 88 T CB -0.068 68.786 68.868 -0.024 0.000 0.863 88 T HN 0.166 nan 8.240 nan 0.000 0.420 89 M N 1.179 120.789 119.600 0.017 0.000 2.229 89 M HA 0.154 4.634 4.480 -0.000 0.000 0.264 89 M C 2.725 179.043 176.300 0.029 0.000 1.063 89 M CA 0.900 56.209 55.300 0.015 0.000 1.114 89 M CB -1.643 30.954 32.600 -0.004 0.000 1.387 89 M HN 0.293 nan 8.290 nan 0.000 0.420 90 A N 0.252 123.095 122.820 0.039 0.000 1.972 90 A HA 0.051 4.371 4.320 -0.000 0.000 0.219 90 A C 2.453 180.081 177.584 0.073 0.000 1.169 90 A CA 1.923 53.986 52.037 0.042 0.000 0.635 90 A CB -0.769 18.258 19.000 0.045 0.000 0.810 90 A HN 0.461 nan 8.150 nan 0.000 0.446 91 A N -0.048 122.846 122.820 0.123 0.000 1.897 91 A HA -0.008 4.312 4.320 -0.000 0.000 0.215 91 A C 2.073 179.820 177.584 0.272 0.000 1.181 91 A CA 1.359 53.536 52.037 0.235 0.000 0.620 91 A CB -0.541 18.607 19.000 0.246 0.000 0.821 91 A HN 0.477 nan 8.150 nan 0.000 0.443 92 I N -1.067 119.609 120.570 0.177 0.000 2.286 92 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 92 I C 2.759 179.009 176.117 0.220 0.000 1.115 92 I CA 1.093 62.505 61.300 0.187 0.000 1.392 92 I CB -0.320 37.748 38.000 0.113 0.000 1.065 92 I HN 0.296 nan 8.210 nan 0.000 0.418 93 R N 0.530 121.106 120.500 0.127 0.000 2.081 93 R HA -0.214 4.126 4.340 -0.000 0.000 0.235 93 R C 2.254 178.675 176.300 0.201 0.000 1.131 93 R CA 1.687 57.852 56.100 0.108 0.000 0.960 93 R CB -0.200 30.093 30.300 -0.012 0.000 0.856 93 R HN 0.416 nan 8.270 nan 0.000 0.436 94 E N -0.569 119.649 120.200 0.030 0.000 2.107 94 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 94 E C 1.010 177.419 176.600 -0.319 0.000 0.982 94 E CA 1.100 57.381 56.400 -0.198 0.000 0.809 94 E CB 0.105 29.557 29.700 -0.413 0.000 0.756 94 E HN 0.418 nan 8.360 nan 0.000 0.459 95 Y N -0.249 120.099 120.300 0.079 0.000 2.462 95 Y HA 0.209 4.759 4.550 -0.000 0.000 0.261 95 Y C 1.132 177.041 175.900 0.014 0.000 1.146 95 Y CA 0.363 58.487 58.100 0.041 0.000 1.283 95 Y CB 0.620 39.105 38.460 0.041 0.000 1.090 95 Y HN -0.059 nan 8.280 nan 0.000 0.526 96 K N -1.335 119.137 120.400 0.120 0.000 3.483 96 K HA -0.188 4.132 4.320 -0.000 0.000 0.288 96 K C -0.492 176.126 176.600 0.029 0.000 0.894 96 K CA 1.179 57.409 56.287 -0.096 0.000 1.245 96 K CB -1.560 30.812 32.500 -0.213 0.000 1.368 96 K HN 0.042 nan 8.250 nan 0.000 0.477 97 V N 0.051 120.034 119.914 0.115 0.000 2.686 97 V HA 0.795 4.915 4.120 -0.000 0.000 0.306 97 V C -0.801 175.388 176.094 0.158 0.000 1.065 97 V CA -0.171 62.211 62.300 0.138 0.000 0.894 97 V CB 1.835 33.753 31.823 0.158 0.000 1.004 97 V HN 0.360 nan 8.190 nan 0.000 0.424 98 A N 4.334 127.266 122.820 0.187 0.000 2.594 98 A HA 0.969 5.288 4.320 -0.000 0.000 0.291 98 A C -1.682 176.062 177.584 0.266 0.000 1.105 98 A CA -0.558 51.598 52.037 0.198 0.000 0.694 98 A CB 1.890 20.974 19.000 0.139 0.000 1.291 98 A HN 0.968 nan 8.150 nan 0.000 0.410 99 I N 0.521 121.256 120.570 0.274 0.000 2.569 99 I HA 0.594 4.764 4.170 -0.000 0.000 0.290 99 I C -0.815 175.425 176.117 0.205 0.000 1.088 99 I CA -0.483 60.979 61.300 0.270 0.000 1.047 99 I CB 1.760 39.939 38.000 0.297 0.000 1.237 99 I HN 0.800 nan 8.210 nan 0.000 0.421 100 K N 5.770 126.249 120.400 0.132 0.000 2.426 100 K HA 0.794 5.114 4.320 -0.000 0.000 0.251 100 K C -0.385 176.250 176.600 0.059 0.000 0.941 100 K CA -0.863 55.476 56.287 0.086 0.000 0.808 100 K CB 1.983 34.507 32.500 0.039 0.000 1.265 100 K HN 0.565 nan 8.250 nan 0.000 0.432 101 G N 1.410 110.246 108.800 0.061 0.000 2.621 101 G HA2 0.395 4.355 3.960 -0.000 0.000 0.271 101 G HA3 0.395 4.355 3.960 -0.000 0.000 0.271 101 G C -2.399 172.515 174.900 0.024 0.000 1.236 101 G CA -1.409 43.721 45.100 0.050 0.000 0.958 101 G HN 0.494 nan 8.290 nan 0.000 0.512 102 P HA 0.302 nan 4.420 nan 0.000 0.272 102 P C -0.660 176.663 177.300 0.038 0.000 1.230 102 P CA -0.108 63.007 63.100 0.025 0.000 0.788 102 P CB 1.051 32.802 31.700 0.085 0.000 0.949 103 L N 0.609 121.847 121.223 0.025 0.000 2.381 103 L HA 0.400 4.740 4.340 -0.000 0.000 0.268 103 L C 0.644 177.523 176.870 0.015 0.000 0.997 103 L CA -0.877 53.979 54.840 0.026 0.000 0.818 103 L CB 2.131 44.201 42.059 0.019 0.000 1.310 103 L HN 0.365 nan 8.230 nan 0.000 0.416 104 E N 1.419 121.629 120.200 0.016 0.000 2.259 104 E HA 0.246 4.596 4.350 -0.000 0.000 0.281 104 E C -1.158 175.415 176.600 -0.044 0.000 1.037 104 E CA -0.240 56.158 56.400 -0.003 0.000 0.854 104 E CB 0.975 30.681 29.700 0.010 0.000 1.051 104 E HN 0.480 nan 8.360 nan 0.000 0.409 105 T N 6.673 121.196 114.554 -0.052 0.000 2.786 105 T HA 0.369 4.719 4.350 -0.000 0.000 0.283 105 T C -2.361 172.293 174.700 -0.077 0.000 0.992 105 T CA -1.350 60.700 62.100 -0.083 0.000 0.954 105 T CB 1.405 70.227 68.868 -0.078 0.000 0.934 105 T HN 0.432 nan 8.240 nan 0.000 0.440 106 P HA 0.384 nan 4.420 nan 0.000 0.274 106 P C -0.808 176.451 177.300 -0.069 0.000 1.231 106 P CA -0.570 62.486 63.100 -0.074 0.000 0.790 106 P CB 0.529 32.179 31.700 -0.083 0.000 0.951 107 V N 1.389 121.270 119.914 -0.054 0.000 2.481 107 V HA 0.499 4.619 4.120 -0.000 0.000 0.286 107 V C 1.360 177.426 176.094 -0.047 0.000 1.042 107 V CA 0.852 63.122 62.300 -0.051 0.000 0.928 107 V CB 0.315 32.115 31.823 -0.039 0.000 0.986 107 V HN 0.995 nan 8.190 nan 0.000 0.462 108 G N 3.316 112.086 108.800 -0.050 0.000 2.205 108 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.261 108 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.261 108 G C 0.541 175.416 174.900 -0.043 0.000 0.980 108 G CA 0.094 45.169 45.100 -0.042 0.000 0.632 108 G HN 1.779 nan 8.290 nan 0.000 0.533 109 G N -2.319 106.449 108.800 -0.052 0.000 2.348 109 G HA2 0.714 4.674 3.960 -0.000 0.000 0.296 109 G HA3 0.714 4.674 3.960 -0.000 0.000 0.296 109 G C 0.889 175.750 174.900 -0.066 0.000 1.258 109 G CA 1.294 46.364 45.100 -0.051 0.000 0.868 109 G HN 2.353 nan 8.290 nan 0.000 0.488 110 G N -0.918 107.845 108.800 -0.062 0.000 2.698 110 G HA2 0.215 4.175 3.960 -0.000 0.000 0.233 110 G HA3 0.215 4.175 3.960 -0.000 0.000 0.233 110 G C 0.568 175.397 174.900 -0.118 0.000 1.352 110 G CA 0.424 45.472 45.100 -0.085 0.000 0.879 110 G HN 2.174 nan 8.290 nan 0.000 0.567 111 I N -1.169 119.289 120.570 -0.187 0.000 2.754 111 I HA 0.529 4.699 4.170 -0.000 0.000 0.285 111 I C 0.901 176.916 176.117 -0.170 0.000 1.166 111 I CA -0.719 60.454 61.300 -0.212 0.000 1.417 111 I CB 0.477 38.239 38.000 -0.396 0.000 1.382 111 I HN 0.496 nan 8.210 nan 0.000 0.588 112 R N 3.749 124.167 120.500 -0.136 0.000 2.590 112 R HA 0.069 4.409 4.340 -0.000 0.000 0.274 112 R C 0.281 176.509 176.300 -0.119 0.000 1.061 112 R CA -0.127 55.901 56.100 -0.119 0.000 1.081 112 R CB 0.631 30.873 30.300 -0.096 0.000 0.984 112 R HN 0.881 nan 8.270 nan 0.000 0.448 113 S N 2.740 118.375 115.700 -0.109 0.000 2.784 113 S HA -0.071 4.399 4.470 -0.000 0.000 0.322 113 S C 1.804 176.366 174.600 -0.063 0.000 1.234 113 S CA -0.270 57.878 58.200 -0.087 0.000 1.064 113 S CB 0.137 63.292 63.200 -0.075 0.000 0.787 113 S HN 0.502 nan 8.310 nan 0.000 0.506 114 L N 4.792 125.980 121.223 -0.058 0.000 2.141 114 L HA -0.097 4.243 4.340 -0.000 0.000 0.209 114 L C 2.310 179.169 176.870 -0.018 0.000 1.094 114 L CA 0.756 55.577 54.840 -0.032 0.000 0.763 114 L CB -0.622 41.428 42.059 -0.015 0.000 0.908 114 L HN 0.616 nan 8.230 nan 0.000 0.437 115 N N 0.225 118.916 118.700 -0.015 0.000 2.084 115 N HA -0.143 4.597 4.740 -0.000 0.000 0.190 115 N C 1.932 177.445 175.510 0.004 0.000 1.030 115 N CA 1.347 54.394 53.050 -0.005 0.000 0.849 115 N CB -0.436 38.052 38.487 0.001 0.000 1.012 115 N HN 0.151 nan 8.380 nan 0.000 0.423 116 V N 1.844 121.767 119.914 0.015 0.000 2.358 116 V HA -0.132 3.987 4.120 -0.000 0.000 0.246 116 V C 2.518 178.620 176.094 0.012 0.000 1.047 116 V CA 1.592 63.914 62.300 0.037 0.000 1.035 116 V CB -0.946 30.911 31.823 0.056 0.000 0.658 116 V HN 0.277 nan 8.190 nan 0.000 0.452 117 A N -0.492 122.324 122.820 -0.006 0.000 1.908 117 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 117 A C 2.257 179.835 177.584 -0.010 0.000 1.181 117 A CA 2.246 54.276 52.037 -0.011 0.000 0.627 117 A CB -0.474 18.515 19.000 -0.019 0.000 0.818 117 A HN 0.491 nan 8.150 nan 0.000 0.445 118 M N -1.333 118.260 119.600 -0.012 0.000 2.132 118 M HA -0.148 4.332 4.480 -0.000 0.000 0.263 118 M C 2.414 178.702 176.300 -0.019 0.000 1.065 118 M CA 1.530 56.820 55.300 -0.016 0.000 1.122 118 M CB -0.318 32.271 32.600 -0.017 0.000 1.365 118 M HN 0.369 nan 8.290 nan 0.000 0.411 119 R N -0.044 120.447 120.500 -0.015 0.000 2.081 119 R HA -0.165 4.175 4.340 -0.000 0.000 0.235 119 R C 2.187 178.487 176.300 -0.000 0.000 1.131 119 R CA 1.486 57.577 56.100 -0.015 0.000 0.960 119 R CB -0.331 29.965 30.300 -0.007 0.000 0.856 119 R HN 0.522 nan 8.270 nan 0.000 0.436 120 Q N 0.102 119.905 119.800 0.005 0.000 2.079 120 Q HA -0.181 4.159 4.340 -0.000 0.000 0.200 120 Q C 1.667 177.665 176.000 -0.003 0.000 0.974 120 Q CA 1.685 57.493 55.803 0.009 0.000 0.840 120 Q CB -0.075 28.668 28.738 0.009 0.000 0.898 120 Q HN 0.336 nan 8.270 nan 0.000 0.430 121 D N -0.057 120.335 120.400 -0.013 0.000 2.117 121 D HA -0.163 4.477 4.640 -0.000 0.000 0.197 121 D C 1.046 177.320 176.300 -0.042 0.000 0.987 121 D CA 0.856 54.841 54.000 -0.024 0.000 0.829 121 D CB 0.206 40.991 40.800 -0.025 0.000 0.961 121 D HN 0.066 nan 8.370 nan 0.000 0.460 122 L N 0.208 121.401 121.223 -0.050 0.000 2.607 122 L HA 0.193 4.533 4.340 -0.000 0.000 0.228 122 L C 0.090 176.935 176.870 -0.043 0.000 1.123 122 L CA 0.330 55.116 54.840 -0.089 0.000 0.890 122 L CB -0.355 41.638 42.059 -0.109 0.000 1.103 122 L HN 0.044 nan 8.230 nan 0.000 0.468 123 D N 0.333 120.734 120.400 0.002 0.000 2.689 123 D HA -0.240 4.399 4.640 -0.000 0.000 0.237 123 D C -0.061 176.311 176.300 0.120 0.000 1.148 123 D CA 0.547 54.586 54.000 0.066 0.000 0.656 123 D CB -0.889 39.952 40.800 0.067 0.000 1.050 123 D HN 0.193 nan 8.370 nan 0.000 0.426 124 L N 1.668 122.917 121.223 0.044 0.000 2.399 124 L HA 0.138 4.478 4.340 -0.000 0.000 0.257 124 L C 1.584 178.437 176.870 -0.028 0.000 1.236 124 L CA -0.652 54.171 54.840 -0.028 0.000 1.144 124 L CB -0.472 41.539 42.059 -0.080 0.000 1.379 124 L HN 0.277 nan 8.230 nan 0.000 0.414 125 Y N 0.554 120.849 120.300 -0.009 0.000 2.561 125 Y HA 0.175 4.725 4.550 -0.000 0.000 0.291 125 Y C 0.554 176.459 175.900 0.008 0.000 1.141 125 Y CA -0.424 57.678 58.100 0.002 0.000 1.303 125 Y CB -0.271 38.203 38.460 0.023 0.000 1.015 125 Y HN 0.116 nan 8.280 nan 0.000 0.547 126 V N 2.179 121.850 119.914 -0.405 0.000 2.394 126 V HA 0.175 4.295 4.120 -0.000 0.000 0.282 126 V C -0.260 175.688 176.094 -0.244 0.000 1.031 126 V CA -1.283 60.858 62.300 -0.265 0.000 0.881 126 V CB 1.086 32.716 31.823 -0.321 0.000 0.982 126 V HN 0.462 nan 8.190 nan 0.000 0.451 127 C N 7.998 127.175 119.300 -0.205 0.000 2.251 127 C HA 0.713 5.172 4.460 -0.000 0.000 0.323 127 C C -0.472 174.320 174.990 -0.330 0.000 1.241 127 C CA -0.670 58.211 59.018 -0.230 0.000 1.601 127 C CB -0.257 27.383 27.740 -0.167 0.000 2.251 127 C HN 0.797 nan 8.230 nan 0.000 0.488 128 L N 7.349 128.330 121.223 -0.402 0.000 2.280 128 L HA 0.643 4.983 4.340 -0.000 0.000 0.287 128 L C -0.176 176.487 176.870 -0.345 0.000 1.023 128 L CA 0.143 54.639 54.840 -0.575 0.000 0.819 128 L CB 0.422 42.092 42.059 -0.649 0.000 1.212 128 L HN 0.708 nan 8.230 nan 0.000 0.420 129 R N 6.445 126.768 120.500 -0.293 0.000 2.472 129 R HA 0.442 4.782 4.340 -0.000 0.000 0.294 129 R C -2.559 173.687 176.300 -0.089 0.000 1.243 129 R CA -1.633 54.384 56.100 -0.138 0.000 1.023 129 R CB 1.455 31.703 30.300 -0.086 0.000 1.157 129 R HN 0.453 nan 8.270 nan 0.000 0.530 130 P HA 0.160 nan 4.420 nan 0.000 0.280 130 P C -0.616 176.719 177.300 0.059 0.000 1.244 130 P CA -0.373 62.731 63.100 0.008 0.000 0.784 130 P CB 1.480 33.202 31.700 0.036 0.000 0.913 131 V N 4.605 124.563 119.914 0.073 0.000 2.483 131 V HA 0.614 4.734 4.120 -0.000 0.000 0.297 131 V C 0.216 176.369 176.094 0.099 0.000 1.027 131 V CA -0.496 61.864 62.300 0.101 0.000 0.855 131 V CB 1.367 33.244 31.823 0.091 0.000 0.995 131 V HN 0.715 nan 8.190 nan 0.000 0.424 132 R N 3.579 124.144 120.500 0.110 0.000 2.764 132 R HA 0.634 4.974 4.340 -0.000 0.000 0.270 132 R C -1.786 174.555 176.300 0.069 0.000 1.014 132 R CA -0.894 55.232 56.100 0.044 0.000 0.904 132 R CB 1.169 31.424 30.300 -0.076 0.000 1.236 132 R HN 0.486 nan 8.270 nan 0.000 0.466 133 Y N 1.585 121.819 120.300 -0.110 0.000 2.326 133 Y HA 0.524 5.074 4.550 -0.000 0.000 0.337 133 Y C -1.350 174.445 175.900 -0.176 0.000 1.023 133 Y CA -1.477 56.603 58.100 -0.034 0.000 1.143 133 Y CB 0.790 39.252 38.460 0.004 0.000 1.183 133 Y HN 0.535 nan 8.280 nan 0.000 0.485 134 F N 4.676 124.332 119.950 -0.490 0.000 2.411 134 F HA 0.243 4.770 4.527 -0.000 0.000 0.355 134 F C 0.588 175.950 175.800 -0.729 0.000 1.117 134 F CA -0.767 56.988 58.000 -0.408 0.000 1.139 134 F CB 0.561 39.441 39.000 -0.199 0.000 1.120 134 F HN 0.390 nan 8.300 nan 0.000 0.493 135 E N 1.815 121.835 120.200 -0.299 0.000 2.529 135 E HA 0.115 4.465 4.350 -0.000 0.000 0.259 135 E C 1.214 177.730 176.600 -0.140 0.000 0.966 135 E CA 1.148 57.427 56.400 -0.202 0.000 0.937 135 E CB 0.461 30.155 29.700 -0.010 0.000 0.923 135 E HN 0.915 nan 8.360 nan 0.000 0.468 136 G N 3.229 112.004 108.800 -0.042 0.000 2.199 136 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.254 136 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.254 136 G C 0.522 175.443 174.900 0.035 0.000 0.982 136 G CA 0.455 45.579 45.100 0.041 0.000 0.632 136 G HN 0.521 nan 8.290 nan 0.000 0.529 137 T N 3.538 118.035 114.554 -0.094 0.000 2.867 137 T HA 0.426 4.776 4.350 -0.000 0.000 0.297 137 T C -1.913 172.899 174.700 0.186 0.000 0.989 137 T CA -0.074 62.040 62.100 0.022 0.000 1.159 137 T CB 1.221 70.072 68.868 -0.030 0.000 0.928 137 T HN 0.152 nan 8.240 nan 0.000 0.538 138 P HA 0.230 nan 4.420 nan 0.000 0.265 138 P C -0.623 176.746 177.300 0.115 0.000 1.193 138 P CA -0.010 63.146 63.100 0.093 0.000 0.765 138 P CB 0.570 32.293 31.700 0.039 0.000 0.823 139 S N 2.854 118.609 115.700 0.091 0.000 2.550 139 S HA 0.532 5.002 4.470 -0.000 0.000 0.270 139 S C -2.280 172.328 174.600 0.013 0.000 1.145 139 S CA -1.282 56.959 58.200 0.068 0.000 0.852 139 S CB 1.325 64.572 63.200 0.078 0.000 1.119 139 S HN 0.237 nan 8.310 nan 0.000 0.465 140 P HA 0.175 nan 4.420 nan 0.000 0.241 140 P C -0.135 177.144 177.300 -0.035 0.000 1.191 140 P CA 0.204 63.294 63.100 -0.017 0.000 0.771 140 P CB 0.058 31.749 31.700 -0.014 0.000 0.929 141 M N -0.429 119.141 119.600 -0.050 0.000 2.314 141 M HA 0.288 4.768 4.480 -0.000 0.000 0.342 141 M C 1.689 177.914 176.300 -0.124 0.000 1.171 141 M CA -0.545 54.711 55.300 -0.073 0.000 1.098 141 M CB 0.978 33.533 32.600 -0.075 0.000 1.559 141 M HN -0.196 nan 8.290 nan 0.000 0.459 142 R N 0.409 120.821 120.500 -0.147 0.000 2.092 142 R HA -0.086 4.253 4.340 -0.000 0.000 0.231 142 R C 0.067 176.047 176.300 -0.533 0.000 1.119 142 R CA 1.318 57.235 56.100 -0.305 0.000 0.970 142 R CB -0.020 30.116 30.300 -0.272 0.000 0.864 142 R HN 0.658 nan 8.270 nan 0.000 0.440 143 H N -0.754 118.256 119.070 -0.101 0.000 2.379 143 H HA 0.150 4.706 4.556 -0.000 0.000 0.229 143 H C -1.855 173.345 175.328 -0.214 0.000 1.423 143 H CA -1.511 54.456 56.048 -0.136 0.000 1.375 143 H CB 1.214 30.926 29.762 -0.083 0.000 1.592 143 H HN 0.060 nan 8.280 nan 0.000 0.507 144 P HA -0.204 nan 4.420 nan 0.000 0.220 144 P C 1.405 178.382 177.300 -0.538 0.000 1.148 144 P CA 1.042 63.856 63.100 -0.477 0.000 0.803 144 P CB 0.564 31.753 31.700 -0.853 0.000 0.782 145 E N 1.738 121.623 120.200 -0.525 0.000 2.401 145 E HA -0.178 4.172 4.350 -0.000 0.000 0.199 145 E C 1.172 177.758 176.600 -0.024 0.000 1.023 145 E CA 1.056 57.359 56.400 -0.161 0.000 0.859 145 E CB -0.643 29.062 29.700 0.008 0.000 0.780 145 E HN 0.309 nan 8.360 nan 0.000 0.523 146 K N 0.768 121.146 120.400 -0.036 0.000 2.444 146 K HA 0.154 4.474 4.320 -0.000 0.000 0.193 146 K C 0.043 176.656 176.600 0.022 0.000 1.024 146 K CA 0.012 56.299 56.287 -0.001 0.000 1.077 146 K CB 0.770 33.265 32.500 -0.008 0.000 0.833 146 K HN -0.054 nan 8.250 nan 0.000 0.517 147 V N 2.557 122.483 119.914 0.020 0.000 2.368 147 V HA 0.097 4.217 4.120 -0.000 0.000 0.266 147 V C -0.610 175.528 176.094 0.073 0.000 1.045 147 V CA -0.378 61.952 62.300 0.050 0.000 0.899 147 V CB 0.959 32.809 31.823 0.046 0.000 1.006 147 V HN 0.108 nan 8.190 nan 0.000 0.470 148 D N 5.914 126.361 120.400 0.079 0.000 2.411 148 D HA 0.472 5.112 4.640 -0.000 0.000 0.239 148 D C -0.708 175.652 176.300 0.099 0.000 1.307 148 D CA -0.198 53.847 54.000 0.076 0.000 0.930 148 D CB 0.696 41.534 40.800 0.062 0.000 1.395 148 D HN 0.405 nan 8.370 nan 0.000 0.536 149 M N 0.930 120.592 119.600 0.103 0.000 2.631 149 M HA 0.587 5.067 4.480 -0.000 0.000 0.288 149 M C -1.033 175.330 176.300 0.105 0.000 1.260 149 M CA -1.224 54.152 55.300 0.126 0.000 0.842 149 M CB 2.835 35.522 32.600 0.144 0.000 1.743 149 M HN -0.105 nan 8.290 nan 0.000 0.461 150 V N 2.902 122.885 119.914 0.115 0.000 2.482 150 V HA 0.438 4.558 4.120 -0.000 0.000 0.295 150 V C -0.871 175.266 176.094 0.073 0.000 1.026 150 V CA -0.742 61.589 62.300 0.052 0.000 0.856 150 V CB 1.925 33.770 31.823 0.038 0.000 1.001 150 V HN 0.568 nan 8.190 nan 0.000 0.424 151 I N 4.767 125.329 120.570 -0.012 0.000 2.331 151 I HA 0.432 4.602 4.170 -0.000 0.000 0.292 151 I C -0.476 175.576 176.117 -0.108 0.000 0.998 151 I CA -0.600 60.704 61.300 0.008 0.000 1.267 151 I CB 0.889 38.882 38.000 -0.012 0.000 1.386 151 I HN 0.401 nan 8.210 nan 0.000 0.476 152 F N 5.871 125.762 119.950 -0.099 0.000 2.332 152 F HA 0.418 4.945 4.527 -0.000 0.000 0.368 152 F C 0.794 176.556 175.800 -0.063 0.000 1.110 152 F CA -0.566 57.377 58.000 -0.095 0.000 1.087 152 F CB 0.769 39.725 39.000 -0.074 0.000 1.235 152 F HN 0.365 nan 8.300 nan 0.000 0.470 153 R N 3.561 124.056 120.500 -0.009 0.000 2.295 153 R HA 0.213 4.553 4.340 -0.000 0.000 0.324 153 R C -0.082 176.197 176.300 -0.035 0.000 0.968 153 R CA -0.615 55.452 56.100 -0.055 0.000 0.837 153 R CB 0.893 31.120 30.300 -0.122 0.000 1.133 153 R HN 0.465 nan 8.270 nan 0.000 0.450 154 E N 3.094 123.289 120.200 -0.009 0.000 2.465 154 E HA -0.130 4.220 4.350 -0.000 0.000 0.260 154 E C -0.645 175.923 176.600 -0.054 0.000 0.980 154 E CA 0.513 56.940 56.400 0.045 0.000 0.927 154 E CB 0.725 30.472 29.700 0.078 0.000 0.934 154 E HN 0.628 nan 8.360 nan 0.000 0.459 155 N N 1.343 120.046 118.700 0.005 0.000 2.197 155 N HA 0.023 4.763 4.740 -0.000 0.000 0.228 155 N C 0.207 175.721 175.510 0.007 0.000 1.212 155 N CA 0.459 53.483 53.050 -0.044 0.000 0.883 155 N CB 0.485 38.944 38.487 -0.048 0.000 1.107 155 N HN 0.328 nan 8.380 nan 0.000 0.519 156 S N -2.129 113.597 115.700 0.043 0.000 2.649 156 S HA 0.211 4.681 4.470 -0.000 0.000 0.246 156 S C 0.581 175.207 174.600 0.043 0.000 1.057 156 S CA -0.375 57.858 58.200 0.055 0.000 1.051 156 S CB 0.498 63.748 63.200 0.084 0.000 1.018 156 S HN 0.374 nan 8.310 nan 0.000 0.569 157 E N 0.263 120.484 120.200 0.034 0.000 2.490 157 E HA 0.599 4.949 4.350 -0.000 0.000 0.176 157 E C -1.121 175.502 176.600 0.038 0.000 0.781 157 E CA -0.743 55.683 56.400 0.044 0.000 0.911 157 E CB -0.056 29.676 29.700 0.053 0.000 2.014 157 E HN -0.038 nan 8.360 nan 0.000 0.388 158 D N -1.046 119.383 120.400 0.049 0.000 6.122 158 D HA -0.189 4.451 4.640 -0.000 0.000 0.318 158 D C 0.709 177.069 176.300 0.099 0.000 2.527 158 D CA 1.184 55.213 54.000 0.048 0.000 1.441 158 D CB -0.457 40.329 40.800 -0.023 0.000 1.140 158 D HN 0.583 nan 8.370 nan 0.000 1.272 159 I N -0.685 119.950 120.570 0.109 0.000 2.953 159 I HA -0.138 4.032 4.170 -0.000 0.000 0.271 159 I C 1.965 178.140 176.117 0.097 0.000 1.286 159 I CA 0.969 62.316 61.300 0.080 0.000 1.449 159 I CB -0.714 37.309 38.000 0.039 0.000 1.086 159 I HN 0.297 nan 8.210 nan 0.000 0.483 160 Y N 1.568 121.835 120.300 -0.055 0.000 2.571 160 Y HA 0.119 4.669 4.550 -0.000 0.000 0.294 160 Y C 2.568 178.436 175.900 -0.053 0.000 1.141 160 Y CA 0.231 58.299 58.100 -0.054 0.000 1.308 160 Y CB -0.721 37.711 38.460 -0.047 0.000 1.002 160 Y HN 0.270 nan 8.280 nan 0.000 0.551 161 A N -0.047 122.825 122.820 0.087 0.000 1.986 161 A HA 0.036 4.356 4.320 -0.000 0.000 0.220 161 A C 2.150 179.710 177.584 -0.041 0.000 1.171 161 A CA 1.526 53.576 52.037 0.023 0.000 0.640 161 A CB -1.163 17.844 19.000 0.012 0.000 0.811 161 A HN 0.698 nan 8.150 nan 0.000 0.451 162 G N -1.554 107.193 108.800 -0.088 0.000 2.165 162 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.226 162 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.226 162 G C -0.099 174.669 174.900 -0.220 0.000 1.035 162 G CA 0.087 45.097 45.100 -0.150 0.000 0.744 162 G HN 0.568 nan 8.290 nan 0.000 0.501 163 I N 1.300 121.723 120.570 -0.245 0.000 2.306 163 I HA 0.574 4.744 4.170 -0.000 0.000 0.288 163 I C 0.294 176.028 176.117 -0.638 0.000 1.036 163 I CA -0.332 60.717 61.300 -0.418 0.000 1.221 163 I CB 0.889 38.746 38.000 -0.237 0.000 1.385 163 I HN 0.508 nan 8.210 nan 0.000 0.472 164 E N 5.658 125.218 120.200 -1.065 0.000 2.392 164 E HA 0.450 4.800 4.350 -0.000 0.000 0.281 164 E C -2.118 173.826 176.600 -1.094 0.000 1.088 164 E CA -1.069 54.785 56.400 -0.910 0.000 0.850 164 E CB 1.521 30.998 29.700 -0.372 0.000 1.267 164 E HN 0.314 nan 8.360 nan 0.000 0.438 165 W N 0.487 121.789 121.300 0.003 0.000 3.022 165 W HA 0.386 5.045 4.660 -0.000 0.000 0.335 165 W C -2.704 173.818 176.519 0.004 0.000 1.133 165 W CA -1.962 55.385 57.345 0.002 0.000 1.219 165 W CB 1.501 30.964 29.460 0.006 0.000 1.409 165 W HN 0.393 nan 8.180 nan 0.000 0.507 166 P HA 0.185 nan 4.420 nan 0.000 0.274 166 P C -0.143 177.224 177.300 0.111 0.000 1.231 166 P CA -0.072 63.093 63.100 0.108 0.000 0.790 166 P CB 0.530 32.275 31.700 0.075 0.000 0.951 167 A N 2.017 124.882 122.820 0.076 0.000 2.540 167 A HA 0.408 4.727 4.320 -0.000 0.000 0.239 167 A C 1.559 179.175 177.584 0.053 0.000 1.061 167 A CA 0.833 52.909 52.037 0.065 0.000 0.758 167 A CB -1.466 17.559 19.000 0.042 0.000 0.991 167 A HN 0.890 nan 8.150 nan 0.000 0.502 168 G N 1.326 110.156 108.800 0.050 0.000 2.234 168 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.260 168 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.260 168 G C 0.718 175.639 174.900 0.036 0.000 0.987 168 G CA 1.031 46.153 45.100 0.036 0.000 0.625 168 G HN 2.209 nan 8.290 nan 0.000 0.532 169 S N 0.669 116.400 115.700 0.051 0.000 2.593 169 S HA 0.554 5.024 4.470 -0.000 0.000 0.269 169 S C -0.755 173.858 174.600 0.021 0.000 1.334 169 S CA -0.367 57.862 58.200 0.047 0.000 1.015 169 S CB 1.919 65.170 63.200 0.084 0.000 0.912 169 S HN 0.037 nan 8.310 nan 0.000 0.541 170 P HA -0.073 nan 4.420 nan 0.000 0.218 170 P C 1.154 178.413 177.300 -0.068 0.000 1.148 170 P CA 1.194 64.281 63.100 -0.022 0.000 0.822 170 P CB 0.045 31.734 31.700 -0.017 0.000 0.784 171 E N -0.471 119.680 120.200 -0.082 0.000 2.051 171 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 171 E C 2.131 178.556 176.600 -0.291 0.000 0.991 171 E CA 1.245 57.493 56.400 -0.254 0.000 0.799 171 E CB -0.557 28.978 29.700 -0.274 0.000 0.748 171 E HN 0.128 nan 8.360 nan 0.000 0.449 172 A N 1.432 124.209 122.820 -0.071 0.000 1.902 172 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 172 A C 1.911 179.477 177.584 -0.031 0.000 1.181 172 A CA 1.550 53.589 52.037 0.004 0.000 0.623 172 A CB -0.469 18.596 19.000 0.108 0.000 0.818 172 A HN 0.188 nan 8.150 nan 0.000 0.443 173 E N -0.369 119.816 120.200 -0.026 0.000 2.110 173 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 173 E C 2.070 178.648 176.600 -0.037 0.000 0.988 173 E CA 1.409 57.799 56.400 -0.016 0.000 0.804 173 E CB -0.178 29.518 29.700 -0.007 0.000 0.745 173 E HN 0.700 nan 8.360 nan 0.000 0.458 174 K N 1.046 121.394 120.400 -0.087 0.000 2.026 174 K HA -0.166 4.154 4.320 -0.000 0.000 0.208 174 K C 2.219 178.766 176.600 -0.089 0.000 1.048 174 K CA 1.079 57.307 56.287 -0.098 0.000 0.929 174 K CB -0.116 32.285 32.500 -0.165 0.000 0.713 174 K HN 0.056 nan 8.250 nan 0.000 0.439 175 I N 0.844 121.307 120.570 -0.177 0.000 2.353 175 I HA -0.170 4.000 4.170 -0.000 0.000 0.248 175 I C 1.802 177.942 176.117 0.039 0.000 1.119 175 I CA 1.046 62.278 61.300 -0.113 0.000 1.417 175 I CB 0.074 37.915 38.000 -0.266 0.000 1.078 175 I HN 0.216 nan 8.210 nan 0.000 0.421 176 I N 0.349 120.932 120.570 0.023 0.000 2.286 176 I HA -0.275 3.895 4.170 -0.000 0.000 0.248 176 I C 2.657 178.806 176.117 0.052 0.000 1.115 176 I CA 1.263 62.594 61.300 0.052 0.000 1.392 176 I CB -0.425 37.603 38.000 0.047 0.000 1.065 176 I HN 0.225 nan 8.210 nan 0.000 0.418 177 R N 0.569 121.098 120.500 0.049 0.000 2.075 177 R HA -0.211 4.129 4.340 -0.000 0.000 0.232 177 R C 2.408 178.749 176.300 0.068 0.000 1.126 177 R CA 1.546 57.673 56.100 0.046 0.000 0.963 177 R CB -0.339 29.984 30.300 0.039 0.000 0.858 177 R HN 0.230 nan 8.270 nan 0.000 0.435 178 F N 1.225 121.152 119.950 -0.037 0.000 2.134 178 F HA -0.138 4.389 4.527 -0.000 0.000 0.299 178 F C 1.766 177.558 175.800 -0.013 0.000 1.097 178 F CA 1.413 59.395 58.000 -0.030 0.000 1.264 178 F CB -0.200 38.773 39.000 -0.045 0.000 1.001 178 F HN -0.018 nan 8.300 nan 0.000 0.479 179 L N -0.109 121.161 121.223 0.079 0.000 2.012 179 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 179 L C 2.659 179.480 176.870 -0.082 0.000 1.073 179 L CA 1.733 56.573 54.840 -0.000 0.000 0.748 179 L CB -0.621 41.485 42.059 0.078 0.000 0.891 179 L HN 0.084 nan 8.230 nan 0.000 0.431 180 R N -0.322 120.148 120.500 -0.050 0.000 2.062 180 R HA -0.093 4.247 4.340 -0.000 0.000 0.226 180 R C 2.139 178.386 176.300 -0.088 0.000 1.125 180 R CA 1.234 57.303 56.100 -0.052 0.000 0.966 180 R CB -0.139 30.148 30.300 -0.021 0.000 0.861 180 R HN 0.432 nan 8.270 nan 0.000 0.433 181 E N -0.090 120.046 120.200 -0.107 0.000 2.250 181 E HA -0.069 4.281 4.350 -0.000 0.000 0.192 181 E C 1.395 177.883 176.600 -0.185 0.000 0.986 181 E CA 0.589 56.922 56.400 -0.111 0.000 0.849 181 E CB 0.367 30.028 29.700 -0.066 0.000 0.797 181 E HN 0.274 nan 8.360 nan 0.000 0.482 182 E N -0.385 119.599 120.200 -0.360 0.000 2.399 182 E HA 0.117 4.467 4.350 -0.000 0.000 0.205 182 E C 1.566 177.891 176.600 -0.458 0.000 0.906 182 E CA 0.327 56.436 56.400 -0.485 0.000 0.998 182 E CB 0.429 29.610 29.700 -0.865 0.000 1.002 182 E HN 0.179 nan 8.360 nan 0.000 0.501 183 M N -0.409 118.929 119.600 -0.438 0.000 2.371 183 M HA 0.251 4.731 4.480 -0.000 0.000 0.246 183 M C 0.869 177.098 176.300 -0.119 0.000 1.103 183 M CA 0.479 55.635 55.300 -0.240 0.000 1.010 183 M CB 0.303 32.802 32.600 -0.169 0.000 1.457 183 M HN 0.191 nan 8.290 nan 0.000 0.486 184 G N 1.534 110.264 108.800 -0.117 0.000 2.179 184 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.257 184 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.257 184 G C 0.118 174.996 174.900 -0.038 0.000 1.010 184 G CA 0.089 45.150 45.100 -0.065 0.000 0.736 184 G HN 0.347 nan 8.290 nan 0.000 0.513 185 V N 1.188 121.080 119.914 -0.036 0.000 2.521 185 V HA 0.438 4.558 4.120 -0.000 0.000 0.286 185 V C 1.602 177.689 176.094 -0.012 0.000 1.034 185 V CA 1.171 63.465 62.300 -0.010 0.000 1.045 185 V CB 1.130 32.957 31.823 0.007 0.000 0.974 185 V HN 0.729 nan 8.190 nan 0.000 0.480 186 T N 0.562 115.111 114.554 -0.009 0.000 2.975 186 T HA 0.154 4.504 4.350 -0.000 0.000 0.257 186 T C 1.133 175.821 174.700 -0.020 0.000 1.003 186 T CA -0.332 61.758 62.100 -0.016 0.000 0.932 186 T CB 0.153 69.010 68.868 -0.018 0.000 1.087 186 T HN 0.439 nan 8.240 nan 0.000 0.512 187 K N 1.219 121.612 120.400 -0.012 0.000 2.487 187 K HA 0.319 4.639 4.320 -0.000 0.000 0.192 187 K C 0.341 176.928 176.600 -0.022 0.000 1.027 187 K CA -0.021 56.255 56.287 -0.018 0.000 1.054 187 K CB -0.004 32.492 32.500 -0.007 0.000 0.824 187 K HN 0.520 nan 8.250 nan 0.000 0.510 188 I N 2.028 122.590 120.570 -0.012 0.000 2.436 188 I HA 0.004 4.174 4.170 -0.000 0.000 0.289 188 I C 1.702 177.785 176.117 -0.056 0.000 1.083 188 I CA -0.184 61.114 61.300 -0.004 0.000 1.372 188 I CB 0.845 38.861 38.000 0.028 0.000 1.408 188 I HN -0.096 nan 8.210 nan 0.000 0.516 189 R N 5.887 126.326 120.500 -0.102 0.000 2.066 189 R HA -0.023 4.317 4.340 -0.000 0.000 0.232 189 R C -0.003 176.014 176.300 -0.471 0.000 1.131 189 R CA 1.829 57.733 56.100 -0.326 0.000 0.955 189 R CB 0.012 30.061 30.300 -0.418 0.000 0.851 189 R HN 0.470 nan 8.270 nan 0.000 0.432 190 F N 0.552 120.513 119.950 0.018 0.000 2.550 190 F HA 0.390 4.917 4.527 -0.000 0.000 0.348 190 F C -1.720 174.093 175.800 0.021 0.000 1.219 190 F CA -2.615 55.395 58.000 0.018 0.000 1.203 190 F CB 1.903 40.913 39.000 0.017 0.000 1.436 190 F HN 0.026 nan 8.300 nan 0.000 0.541 191 P HA -0.142 nan 4.420 nan 0.000 0.219 191 P C 0.866 178.226 177.300 0.101 0.000 1.146 191 P CA 1.400 64.560 63.100 0.099 0.000 0.808 191 P CB 0.412 32.146 31.700 0.057 0.000 0.779 192 D N -0.876 119.594 120.400 0.116 0.000 2.317 192 D HA -0.026 4.614 4.640 -0.000 0.000 0.211 192 D C 1.215 177.558 176.300 0.071 0.000 0.966 192 D CA 1.106 55.156 54.000 0.083 0.000 0.876 192 D CB -0.080 40.766 40.800 0.078 0.000 0.927 192 D HN 0.297 nan 8.370 nan 0.000 0.519 193 S N -1.337 114.416 115.700 0.089 0.000 2.952 193 S HA 0.239 4.709 4.470 -0.000 0.000 0.251 193 S C 0.222 174.861 174.600 0.064 0.000 1.021 193 S CA -0.620 57.609 58.200 0.049 0.000 1.067 193 S CB 0.386 63.580 63.200 -0.010 0.000 1.002 193 S HN -0.210 nan 8.310 nan 0.000 0.574 194 S N 2.333 118.091 115.700 0.097 0.000 2.499 194 S HA 0.760 5.229 4.470 -0.000 0.000 0.279 194 S C 0.454 175.113 174.600 0.100 0.000 1.219 194 S CA -0.395 57.867 58.200 0.104 0.000 1.062 194 S CB 1.247 64.520 63.200 0.123 0.000 0.978 194 S HN 0.777 nan 8.310 nan 0.000 0.489 195 A N 3.516 126.392 122.820 0.094 0.000 2.304 195 A HA 0.710 5.030 4.320 -0.000 0.000 0.271 195 A C -0.372 177.292 177.584 0.134 0.000 1.091 195 A CA -0.437 51.666 52.037 0.111 0.000 0.812 195 A CB 0.220 19.264 19.000 0.074 0.000 1.056 195 A HN 0.699 nan 8.150 nan 0.000 0.489 196 I N 1.028 121.714 120.570 0.193 0.000 2.499 196 I HA 0.480 4.650 4.170 -0.000 0.000 0.288 196 I C 0.497 176.722 176.117 0.180 0.000 1.048 196 I CA 0.023 61.456 61.300 0.221 0.000 1.062 196 I CB 1.202 39.396 38.000 0.324 0.000 1.238 196 I HN 0.764 nan 8.210 nan 0.000 0.426 197 G N 6.365 115.222 108.800 0.095 0.000 2.453 197 G HA2 0.741 4.701 3.960 -0.000 0.000 0.323 197 G HA3 0.741 4.701 3.960 -0.000 0.000 0.323 197 G C -0.917 174.012 174.900 0.050 0.000 1.198 197 G CA -0.370 44.729 45.100 -0.002 0.000 0.959 197 G HN 0.305 nan 8.290 nan 0.000 0.482 198 I N 0.619 121.190 120.570 0.002 0.000 2.433 198 I HA 0.402 4.572 4.170 -0.000 0.000 0.292 198 I C -0.139 176.003 176.117 0.041 0.000 1.001 198 I CA -0.978 60.360 61.300 0.063 0.000 1.119 198 I CB 1.877 39.933 38.000 0.094 0.000 1.289 198 I HN 0.431 nan 8.210 nan 0.000 0.438 199 K N 8.020 128.459 120.400 0.066 0.000 2.414 199 K HA 0.486 4.806 4.320 -0.000 0.000 0.251 199 K C -2.583 174.068 176.600 0.085 0.000 1.037 199 K CA -1.295 55.030 56.287 0.064 0.000 0.980 199 K CB 1.134 33.668 32.500 0.058 0.000 1.280 199 K HN 0.286 nan 8.250 nan 0.000 0.451 200 P HA 0.246 nan 4.420 nan 0.000 0.297 200 P C -1.141 176.224 177.300 0.109 0.000 1.319 200 P CA -0.599 62.558 63.100 0.095 0.000 0.810 200 P CB 1.618 33.362 31.700 0.073 0.000 0.947 201 V N 2.596 122.604 119.914 0.156 0.000 2.623 201 V HA 0.493 4.613 4.120 -0.000 0.000 0.304 201 V C 0.095 176.353 176.094 0.274 0.000 1.054 201 V CA -0.432 61.995 62.300 0.212 0.000 0.882 201 V CB 1.975 33.944 31.823 0.242 0.000 1.002 201 V HN 0.757 nan 8.190 nan 0.000 0.424 202 S N 1.466 117.280 115.700 0.190 0.000 2.648 202 S HA 0.464 4.934 4.470 -0.000 0.000 0.305 202 S C 1.146 175.588 174.600 -0.264 0.000 1.094 202 S CA 0.151 58.344 58.200 -0.012 0.000 0.983 202 S CB 1.782 64.947 63.200 -0.060 0.000 1.101 202 S HN 0.970 nan 8.310 nan 0.000 0.514 203 T N -0.812 113.267 114.554 -0.792 0.000 2.777 203 T HA -0.094 4.256 4.350 -0.000 0.000 0.266 203 T C 1.268 175.699 174.700 -0.447 0.000 1.040 203 T CA 1.423 62.864 62.100 -1.099 0.000 1.141 203 T CB -0.850 67.279 68.868 -1.231 0.000 0.868 203 T HN 0.724 nan 8.240 nan 0.000 0.444 204 E N 1.112 121.126 120.200 -0.311 0.000 2.051 204 E HA 0.011 4.361 4.350 -0.000 0.000 0.192 204 E C 2.570 179.082 176.600 -0.147 0.000 0.991 204 E CA 0.982 57.261 56.400 -0.201 0.000 0.799 204 E CB -0.609 28.992 29.700 -0.166 0.000 0.748 204 E HN 0.687 nan 8.360 nan 0.000 0.449 205 G N 0.560 109.305 108.800 -0.092 0.000 2.404 205 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.215 205 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.215 205 G C 1.714 176.646 174.900 0.054 0.000 1.174 205 G CA 0.824 45.908 45.100 -0.026 0.000 0.780 205 G HN 0.152 nan 8.290 nan 0.000 0.537 206 S N 0.658 116.429 115.700 0.118 0.000 2.359 206 S HA -0.110 4.360 4.470 -0.000 0.000 0.224 206 S C 2.136 176.734 174.600 -0.004 0.000 1.035 206 S CA 1.508 59.812 58.200 0.173 0.000 1.018 206 S CB -0.274 63.121 63.200 0.325 0.000 0.876 206 S HN 0.568 nan 8.310 nan 0.000 0.448 207 E N 0.952 121.124 120.200 -0.047 0.000 2.077 207 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 207 E C 2.380 178.965 176.600 -0.026 0.000 0.989 207 E CA 1.187 57.551 56.400 -0.060 0.000 0.800 207 E CB -0.159 29.487 29.700 -0.090 0.000 0.746 207 E HN 0.569 nan 8.360 nan 0.000 0.452 208 R N 0.937 121.405 120.500 -0.054 0.000 2.092 208 R HA -0.076 4.263 4.340 -0.000 0.000 0.231 208 R C 2.390 178.799 176.300 0.181 0.000 1.119 208 R CA 0.968 57.041 56.100 -0.046 0.000 0.970 208 R CB -0.516 29.570 30.300 -0.358 0.000 0.864 208 R HN 0.150 nan 8.270 nan 0.000 0.440 209 L N 1.367 122.719 121.223 0.214 0.000 2.044 209 L HA -0.014 4.326 4.340 -0.000 0.000 0.205 209 L C 2.135 179.105 176.870 0.167 0.000 1.075 209 L CA 1.661 56.701 54.840 0.333 0.000 0.747 209 L CB -0.446 41.819 42.059 0.342 0.000 0.903 209 L HN 0.296 nan 8.230 nan 0.000 0.435 210 I N -0.059 120.537 120.570 0.042 0.000 2.315 210 I HA -0.287 3.883 4.170 -0.000 0.000 0.248 210 I C 2.806 178.888 176.117 -0.058 0.000 1.117 210 I CA 0.959 62.211 61.300 -0.080 0.000 1.404 210 I CB -0.343 37.526 38.000 -0.219 0.000 1.071 210 I HN 0.315 nan 8.210 nan 0.000 0.419 211 R N 0.927 121.456 120.500 0.048 0.000 2.083 211 R HA -0.173 4.167 4.340 -0.000 0.000 0.237 211 R C 2.515 178.873 176.300 0.097 0.000 1.137 211 R CA 1.383 57.576 56.100 0.154 0.000 0.951 211 R CB -0.077 30.337 30.300 0.190 0.000 0.851 211 R HN 0.170 nan 8.270 nan 0.000 0.434 212 R N -0.170 120.393 120.500 0.106 0.000 2.091 212 R HA -0.081 4.259 4.340 -0.000 0.000 0.238 212 R C 2.197 178.346 176.300 -0.251 0.000 1.136 212 R CA 1.948 58.101 56.100 0.087 0.000 0.959 212 R CB -0.902 29.547 30.300 0.248 0.000 0.856 212 R HN 0.358 nan 8.270 nan 0.000 0.437 213 T N 1.595 115.814 114.554 -0.558 0.000 2.708 213 T HA -0.070 4.279 4.350 -0.000 0.000 0.266 213 T C 2.063 176.433 174.700 -0.550 0.000 1.037 213 T CA 1.234 62.675 62.100 -1.100 0.000 1.146 213 T CB -0.161 68.283 68.868 -0.707 0.000 0.865 213 T HN 0.163 nan 8.240 nan 0.000 0.435 214 I N 0.904 121.236 120.570 -0.396 0.000 2.315 214 I HA -0.179 3.991 4.170 -0.000 0.000 0.248 214 I C 2.822 178.692 176.117 -0.411 0.000 1.117 214 I CA 1.209 62.225 61.300 -0.474 0.000 1.404 214 I CB -0.412 37.122 38.000 -0.777 0.000 1.071 214 I HN 0.273 nan 8.210 nan 0.000 0.419 215 Q N -0.228 119.426 119.800 -0.243 0.000 2.096 215 Q HA -0.279 4.061 4.340 -0.000 0.000 0.204 215 Q C 2.178 178.201 176.000 0.039 0.000 0.982 215 Q CA 2.155 57.945 55.803 -0.022 0.000 0.850 215 Q CB -0.345 28.475 28.738 0.138 0.000 0.901 215 Q HN 0.529 nan 8.270 nan 0.000 0.422 216 Y N 0.661 120.926 120.300 -0.058 0.000 2.145 216 Y HA -0.227 4.323 4.550 -0.000 0.000 0.286 216 Y C 2.216 178.202 175.900 0.144 0.000 1.145 216 Y CA 1.397 59.575 58.100 0.130 0.000 1.148 216 Y CB -0.485 38.088 38.460 0.189 0.000 0.981 216 Y HN 0.086 nan 8.280 nan 0.000 0.507 217 A N 0.384 123.334 122.820 0.217 0.000 1.908 217 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 217 A C 2.321 179.918 177.584 0.021 0.000 1.181 217 A CA 2.022 54.139 52.037 0.133 0.000 0.627 217 A CB -1.192 17.826 19.000 0.030 0.000 0.818 217 A HN 0.576 nan 8.150 nan 0.000 0.445 218 L N -1.113 120.081 121.223 -0.049 0.000 2.056 218 L HA -0.173 4.167 4.340 -0.000 0.000 0.207 218 L C 2.687 179.513 176.870 -0.073 0.000 1.078 218 L CA 1.756 56.563 54.840 -0.056 0.000 0.749 218 L CB -0.449 41.571 42.059 -0.066 0.000 0.901 218 L HN 0.611 nan 8.230 nan 0.000 0.433 219 E N -0.219 119.906 120.200 -0.125 0.000 2.153 219 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 219 E C 1.418 177.769 176.600 -0.414 0.000 0.988 219 E CA 1.284 57.524 56.400 -0.267 0.000 0.811 219 E CB 0.088 29.573 29.700 -0.359 0.000 0.746 219 E HN 0.603 nan 8.360 nan 0.000 0.466 220 H N -1.511 117.439 119.070 -0.200 0.000 2.529 220 H HA 0.281 4.837 4.556 -0.000 0.000 0.277 220 H C 0.755 176.039 175.328 -0.073 0.000 1.004 220 H CA 0.445 56.385 56.048 -0.179 0.000 1.167 220 H CB 1.126 30.686 29.762 -0.337 0.000 1.445 220 H HN 0.312 nan 8.280 nan 0.000 0.554 221 G N 1.392 110.201 108.800 0.014 0.000 2.221 221 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.265 221 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.265 221 G C -0.082 174.848 174.900 0.051 0.000 1.041 221 G CA -0.162 44.952 45.100 0.024 0.000 0.807 221 G HN 0.144 nan 8.290 nan 0.000 0.502 222 K N 0.006 120.449 120.400 0.072 0.000 2.237 222 K HA 0.282 4.602 4.320 -0.000 0.000 0.270 222 K C -0.747 175.888 176.600 0.057 0.000 1.015 222 K CA -1.477 54.862 56.287 0.086 0.000 0.949 222 K CB 1.315 33.897 32.500 0.136 0.000 0.976 222 K HN 0.166 nan 8.250 nan 0.000 0.472 223 P HA -0.088 nan 4.420 nan 0.000 0.220 223 P C -0.013 177.307 177.300 0.033 0.000 1.152 223 P CA 0.802 63.925 63.100 0.039 0.000 0.812 223 P CB 0.427 32.147 31.700 0.033 0.000 0.792 224 S N -1.898 113.822 115.700 0.034 0.000 2.596 224 S HA 0.529 4.999 4.470 -0.000 0.000 0.270 224 S C -1.171 173.438 174.600 0.015 0.000 1.155 224 S CA -0.796 57.411 58.200 0.012 0.000 0.827 224 S CB 1.989 65.182 63.200 -0.012 0.000 1.130 224 S HN -0.177 nan 8.310 nan 0.000 0.467 225 V N 1.671 121.568 119.914 -0.028 0.000 2.540 225 V HA 0.697 4.817 4.120 -0.000 0.000 0.302 225 V C -0.455 175.598 176.094 -0.068 0.000 1.035 225 V CA -0.482 61.794 62.300 -0.042 0.000 0.873 225 V CB 1.950 33.713 31.823 -0.099 0.000 0.992 225 V HN 0.980 nan 8.190 nan 0.000 0.428 226 S N 5.494 121.173 115.700 -0.035 0.000 2.498 226 S HA 0.600 5.070 4.470 -0.000 0.000 0.317 226 S C -0.438 174.084 174.600 -0.131 0.000 1.090 226 S CA -0.490 57.666 58.200 -0.074 0.000 1.089 226 S CB 0.909 64.147 63.200 0.063 0.000 0.997 226 S HN 0.524 nan 8.310 nan 0.000 0.470 227 L N 3.864 125.006 121.223 -0.135 0.000 2.283 227 L HA 0.398 4.738 4.340 -0.000 0.000 0.287 227 L C -0.541 176.329 176.870 0.000 0.000 1.073 227 L CA -0.585 54.234 54.840 -0.036 0.000 0.822 227 L CB 0.481 42.441 42.059 -0.165 0.000 1.186 227 L HN 0.300 nan 8.230 nan 0.000 0.436 228 V N 3.566 123.405 119.914 -0.124 0.000 2.394 228 V HA 0.448 4.568 4.120 -0.000 0.000 0.282 228 V C -0.368 175.623 176.094 -0.172 0.000 1.031 228 V CA -0.484 61.624 62.300 -0.320 0.000 0.881 228 V CB 1.092 32.477 31.823 -0.730 0.000 0.982 228 V HN 0.923 nan 8.190 nan 0.000 0.451 229 H N 2.247 121.205 119.070 -0.185 0.000 3.014 229 H HA 0.669 5.225 4.556 -0.000 0.000 0.337 229 H C -0.854 174.416 175.328 -0.096 0.000 1.320 229 H CA -1.213 54.742 56.048 -0.156 0.000 1.128 229 H CB 1.558 31.277 29.762 -0.071 0.000 1.862 229 H HN 0.313 nan 8.280 nan 0.000 0.536 230 K N 1.306 121.676 120.400 -0.049 0.000 3.045 230 K HA 0.367 4.687 4.320 -0.000 0.000 0.214 230 K C 0.758 177.399 176.600 0.067 0.000 1.213 230 K CA 0.115 56.373 56.287 -0.049 0.000 1.111 230 K CB -0.134 32.330 32.500 -0.060 0.000 1.454 230 K HN 0.872 nan 8.250 nan 0.000 0.498 231 G N 0.861 109.846 108.800 0.308 0.000 2.920 231 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.208 231 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.208 231 G C 0.913 175.843 174.900 0.051 0.000 1.159 231 G CA 0.214 45.418 45.100 0.173 0.000 0.784 231 G HN 0.592 nan 8.290 nan 0.000 0.535 232 N N 0.767 119.501 118.700 0.056 0.000 2.333 232 N HA -0.015 4.725 4.740 -0.000 0.000 0.178 232 N C 1.639 177.124 175.510 -0.042 0.000 1.018 232 N CA 0.600 53.654 53.050 0.007 0.000 0.882 232 N CB -0.128 38.373 38.487 0.024 0.000 0.984 232 N HN 0.217 nan 8.380 nan 0.000 0.434 233 I N 0.219 120.764 120.570 -0.041 0.000 2.628 233 I HA 0.183 4.353 4.170 -0.000 0.000 0.255 233 I C 0.691 176.749 176.117 -0.098 0.000 1.119 233 I CA 0.549 61.813 61.300 -0.061 0.000 1.448 233 I CB -0.467 37.512 38.000 -0.036 0.000 1.133 233 I HN 0.075 nan 8.210 nan 0.000 0.438 234 M N 1.179 120.726 119.600 -0.087 0.000 2.901 234 M HA 0.183 4.663 4.480 -0.000 0.000 0.294 234 M C 1.051 177.258 176.300 -0.156 0.000 1.255 234 M CA -0.091 55.145 55.300 -0.108 0.000 1.274 234 M CB 0.676 33.246 32.600 -0.051 0.000 1.173 234 M HN -0.035 nan 8.290 nan 0.000 0.525 235 K N 0.500 120.704 120.400 -0.327 0.000 2.148 235 K HA -0.030 4.290 4.320 -0.000 0.000 0.204 235 K C 0.728 177.190 176.600 -0.231 0.000 1.050 235 K CA 1.285 57.351 56.287 -0.369 0.000 0.942 235 K CB 0.181 32.318 32.500 -0.604 0.000 0.724 235 K HN 0.420 nan 8.250 nan 0.000 0.446 236 F N 0.477 120.403 119.950 -0.040 0.000 2.656 236 F HA 0.020 4.547 4.527 -0.000 0.000 0.291 236 F C 2.490 178.264 175.800 -0.043 0.000 1.122 236 F CA 0.677 58.654 58.000 -0.038 0.000 1.427 236 F CB -0.908 38.116 39.000 0.041 0.000 1.125 236 F HN 0.037 nan 8.300 nan 0.000 0.583 237 T N -2.212 112.418 114.554 0.126 0.000 2.914 237 T HA 0.017 4.367 4.350 -0.000 0.000 0.240 237 T C 1.653 176.367 174.700 0.024 0.000 1.025 237 T CA 0.667 62.838 62.100 0.119 0.000 1.198 237 T CB -0.515 68.420 68.868 0.112 0.000 0.892 237 T HN 0.125 nan 8.240 nan 0.000 0.417 238 E N 1.355 121.551 120.200 -0.008 0.000 2.107 238 E HA 0.046 4.396 4.350 -0.000 0.000 0.191 238 E C 2.508 179.078 176.600 -0.049 0.000 0.982 238 E CA 0.891 57.288 56.400 -0.006 0.000 0.809 238 E CB -0.492 29.203 29.700 -0.008 0.000 0.756 238 E HN 0.660 nan 8.360 nan 0.000 0.459 239 G N 1.350 110.080 108.800 -0.117 0.000 2.408 239 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.217 239 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.217 239 G C 1.604 176.260 174.900 -0.407 0.000 1.150 239 G CA 0.802 45.772 45.100 -0.217 0.000 0.776 239 G HN 0.357 nan 8.290 nan 0.000 0.542 240 G N 0.555 109.008 108.800 -0.577 0.000 2.421 240 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 240 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 240 G C 1.591 175.692 174.900 -1.331 0.000 1.171 240 G CA 0.882 45.060 45.100 -1.536 0.000 0.775 240 G HN 0.351 nan 8.290 nan 0.000 0.543 241 F N 1.531 121.114 119.950 -0.612 0.000 2.087 241 F HA -0.172 4.355 4.527 0.000 0.000 0.299 241 F C 2.730 178.367 175.800 -0.272 0.000 1.100 241 F CA 2.382 60.275 58.000 -0.178 0.000 1.226 241 F CB -0.124 38.827 39.000 -0.082 0.000 0.983 241 F HN 0.095 nan 8.300 nan 0.000 0.479 242 R N 0.220 120.572 120.500 -0.247 0.000 2.073 242 R HA -0.167 4.173 4.340 -0.000 0.000 0.234 242 R C 1.918 177.965 176.300 -0.422 0.000 1.134 242 R CA 2.121 57.953 56.100 -0.445 0.000 0.952 242 R CB -0.593 29.291 30.300 -0.693 0.000 0.850 242 R HN 0.268 nan 8.270 nan 0.000 0.433 243 D N -0.426 119.753 120.400 -0.369 0.000 2.117 243 D HA -0.173 4.467 4.640 -0.000 0.000 0.198 243 D C 1.792 178.049 176.300 -0.072 0.000 0.982 243 D CA 0.888 54.775 54.000 -0.189 0.000 0.828 243 D CB -0.325 40.333 40.800 -0.237 0.000 0.967 243 D HN 0.365 nan 8.370 nan 0.000 0.464 244 W N 1.447 122.687 121.300 -0.100 0.000 2.402 244 W HA 0.063 4.723 4.660 -0.000 0.000 0.286 244 W C 2.419 178.835 176.519 -0.171 0.000 1.221 244 W CA 0.852 58.130 57.345 -0.113 0.000 1.257 244 W CB -1.400 27.986 29.460 -0.123 0.000 1.120 244 W HN 0.009 nan 8.180 nan 0.000 0.551 245 G N -0.442 108.279 108.800 -0.132 0.000 2.421 245 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.216 245 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.216 245 G C 1.329 176.157 174.900 -0.120 0.000 1.171 245 G CA 0.978 45.916 45.100 -0.270 0.000 0.775 245 G HN 0.138 nan 8.290 nan 0.000 0.543 246 Y N 1.339 121.593 120.300 -0.077 0.000 2.200 246 Y HA 0.081 4.631 4.550 -0.000 0.000 0.290 246 Y C 3.121 179.014 175.900 -0.010 0.000 1.137 246 Y CA 0.313 58.383 58.100 -0.049 0.000 1.163 246 Y CB -0.752 37.675 38.460 -0.053 0.000 0.988 246 Y HN 0.267 nan 8.280 nan 0.000 0.518 247 A N -0.210 122.717 122.820 0.177 0.000 1.902 247 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 247 A C 2.341 179.984 177.584 0.100 0.000 1.181 247 A CA 1.601 53.712 52.037 0.125 0.000 0.623 247 A CB -1.135 17.945 19.000 0.134 0.000 0.818 247 A HN 0.494 nan 8.150 nan 0.000 0.443 248 L N -0.661 120.619 121.223 0.094 0.000 2.056 248 L HA -0.094 4.246 4.340 -0.000 0.000 0.207 248 L C 2.771 179.733 176.870 0.154 0.000 1.078 248 L CA 1.651 56.543 54.840 0.086 0.000 0.749 248 L CB -0.380 41.717 42.059 0.064 0.000 0.901 248 L HN 0.364 nan 8.230 nan 0.000 0.433 249 A N -0.278 122.644 122.820 0.171 0.000 1.883 249 A HA -0.272 4.048 4.320 -0.000 0.000 0.217 249 A C 2.096 179.824 177.584 0.241 0.000 1.186 249 A CA 2.105 54.293 52.037 0.251 0.000 0.624 249 A CB -0.654 18.429 19.000 0.137 0.000 0.822 249 A HN 0.634 nan 8.150 nan 0.000 0.444 250 E N -0.759 119.528 120.200 0.145 0.000 2.106 250 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 250 E C 2.253 178.895 176.600 0.071 0.000 0.984 250 E CA 1.298 57.756 56.400 0.097 0.000 0.806 250 E CB -0.156 29.576 29.700 0.054 0.000 0.750 250 E HN 0.818 nan 8.360 nan 0.000 0.458 251 R N 0.652 121.182 120.500 0.050 0.000 2.210 251 R HA 0.051 4.391 4.340 -0.000 0.000 0.203 251 R C 1.407 177.676 176.300 -0.051 0.000 1.010 251 R CA 0.874 56.976 56.100 0.004 0.000 1.008 251 R CB 0.110 30.409 30.300 -0.003 0.000 0.923 251 R HN 0.088 nan 8.270 nan 0.000 0.469 252 E N -0.179 119.970 120.200 -0.084 0.000 2.389 252 E HA 0.097 4.447 4.350 -0.000 0.000 0.199 252 E C -0.221 176.014 176.600 -0.608 0.000 0.978 252 E CA 0.285 56.469 56.400 -0.359 0.000 0.912 252 E CB 0.451 29.859 29.700 -0.487 0.000 0.907 252 E HN 0.320 nan 8.360 nan 0.000 0.494 253 F N 0.577 120.533 119.950 0.011 0.000 2.790 253 F HA 0.367 4.894 4.527 -0.000 0.000 0.371 253 F C 0.275 176.090 175.800 0.025 0.000 1.293 253 F CA -0.768 57.242 58.000 0.016 0.000 1.205 253 F CB 0.674 39.684 39.000 0.016 0.000 1.047 253 F HN -0.167 nan 8.300 nan 0.000 0.510 254 A N 0.273 123.164 122.820 0.119 0.000 2.531 254 A HA 0.408 4.728 4.320 -0.000 0.000 0.236 254 A C 1.593 179.236 177.584 0.098 0.000 1.062 254 A CA 1.142 53.237 52.037 0.096 0.000 0.760 254 A CB -0.451 18.579 19.000 0.051 0.000 0.995 254 A HN 1.216 nan 8.150 nan 0.000 0.501 255 G N 1.779 110.641 108.800 0.102 0.000 2.320 255 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.242 255 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.242 255 G C 1.096 176.057 174.900 0.102 0.000 1.033 255 G CA 0.786 45.941 45.100 0.092 0.000 0.620 255 G HN 0.805 nan 8.290 nan 0.000 0.517 256 R N 0.056 120.630 120.500 0.123 0.000 2.334 256 R HA 0.435 4.775 4.340 -0.000 0.000 0.212 256 R C 0.910 177.277 176.300 0.112 0.000 0.897 256 R CA 0.904 57.071 56.100 0.113 0.000 1.056 256 R CB 0.874 31.249 30.300 0.125 0.000 1.046 256 R HN 0.744 nan 8.270 nan 0.000 0.513 257 V N -2.783 117.215 119.914 0.139 0.000 3.074 257 V HA 0.661 4.781 4.120 -0.000 0.000 0.314 257 V C -1.184 175.039 176.094 0.215 0.000 1.117 257 V CA -1.136 61.247 62.300 0.140 0.000 1.014 257 V CB 2.139 34.023 31.823 0.102 0.000 1.057 257 V HN -0.008 nan 8.190 nan 0.000 0.438 258 F N 2.427 122.412 119.950 0.060 0.000 2.585 258 F HA 0.773 5.300 4.527 -0.000 0.000 0.319 258 F C -0.109 175.745 175.800 0.091 0.000 1.165 258 F CA 0.339 58.382 58.000 0.072 0.000 0.949 258 F CB 1.879 40.923 39.000 0.075 0.000 1.218 258 F HN 1.059 nan 8.300 nan 0.000 0.453 259 T N 1.144 115.372 114.554 -0.542 0.000 2.950 259 T HA 0.253 4.603 4.350 -0.000 0.000 0.288 259 T C 0.244 174.675 174.700 -0.448 0.000 1.035 259 T CA -0.450 61.447 62.100 -0.338 0.000 1.028 259 T CB 1.186 69.906 68.868 -0.247 0.000 1.109 259 T HN 0.677 nan 8.240 nan 0.000 0.514 260 W N 0.545 121.576 121.300 -0.448 0.000 2.595 260 W HA 0.196 4.856 4.660 -0.000 0.000 0.257 260 W C 2.606 178.805 176.519 -0.533 0.000 1.267 260 W CA -0.252 56.877 57.345 -0.360 0.000 1.300 260 W CB -0.720 28.689 29.460 -0.085 0.000 1.120 260 W HN 0.799 nan 8.180 nan 0.000 0.618 261 R N 0.465 120.540 120.500 -0.708 0.000 2.075 261 R HA -0.172 4.168 4.340 -0.000 0.000 0.232 261 R C 2.007 178.103 176.300 -0.340 0.000 1.126 261 R CA 1.736 57.502 56.100 -0.556 0.000 0.963 261 R CB -0.307 29.592 30.300 -0.670 0.000 0.858 261 R HN 0.175 nan 8.270 nan 0.000 0.435 262 Q N 0.154 119.710 119.800 -0.407 0.000 2.084 262 Q HA -0.196 4.144 4.340 -0.000 0.000 0.202 262 Q C 2.060 177.905 176.000 -0.259 0.000 0.978 262 Q CA 1.761 57.361 55.803 -0.338 0.000 0.844 262 Q CB -0.048 28.403 28.738 -0.478 0.000 0.898 262 Q HN 0.241 nan 8.270 nan 0.000 0.426 263 K N 0.327 120.527 120.400 -0.334 0.000 2.097 263 K HA -0.151 4.169 4.320 -0.000 0.000 0.206 263 K C 1.997 178.558 176.600 -0.065 0.000 1.049 263 K CA 1.116 57.371 56.287 -0.052 0.000 0.933 263 K CB -0.105 32.406 32.500 0.018 0.000 0.717 263 K HN 0.179 nan 8.250 nan 0.000 0.442 264 A N 0.995 123.744 122.820 -0.119 0.000 1.902 264 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 264 A C 2.307 179.853 177.584 -0.063 0.000 1.181 264 A CA 1.777 53.758 52.037 -0.093 0.000 0.623 264 A CB -0.747 18.197 19.000 -0.094 0.000 0.818 264 A HN 0.463 nan 8.150 nan 0.000 0.443 265 A N -0.207 122.572 122.820 -0.068 0.000 1.933 265 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 265 A C 2.101 179.674 177.584 -0.019 0.000 1.175 265 A CA 1.472 53.484 52.037 -0.042 0.000 0.628 265 A CB -0.548 18.424 19.000 -0.046 0.000 0.814 265 A HN 0.506 nan 8.150 nan 0.000 0.444 266 I N -0.602 119.964 120.570 -0.006 0.000 2.286 266 I HA -0.180 3.990 4.170 -0.000 0.000 0.245 266 I C 2.609 178.730 176.117 0.007 0.000 1.104 266 I CA 1.249 62.562 61.300 0.020 0.000 1.397 266 I CB -0.265 37.776 38.000 0.068 0.000 1.072 266 I HN 0.218 nan 8.210 nan 0.000 0.417 267 S N 0.486 116.182 115.700 -0.007 0.000 2.368 267 S HA -0.174 4.296 4.470 -0.000 0.000 0.225 267 S C 2.057 176.647 174.600 -0.018 0.000 1.030 267 S CA 1.166 59.355 58.200 -0.018 0.000 0.999 267 S CB -0.159 63.017 63.200 -0.040 0.000 0.844 267 S HN 0.266 nan 8.310 nan 0.000 0.459 268 K N 1.555 121.943 120.400 -0.019 0.000 2.002 268 K HA 0.026 4.346 4.320 -0.000 0.000 0.209 268 K C 2.154 178.749 176.600 -0.009 0.000 1.048 268 K CA 1.519 57.796 56.287 -0.015 0.000 0.930 268 K CB -0.585 31.905 32.500 -0.016 0.000 0.714 268 K HN 0.347 nan 8.250 nan 0.000 0.438 269 A N 0.558 123.375 122.820 -0.006 0.000 2.021 269 A HA -0.054 4.266 4.320 -0.000 0.000 0.216 269 A C 1.100 178.684 177.584 -0.001 0.000 1.163 269 A CA 1.099 53.135 52.037 -0.002 0.000 0.676 269 A CB 0.046 19.046 19.000 0.001 0.000 0.818 269 A HN 0.432 nan 8.150 nan 0.000 0.453 270 E N -1.646 118.554 120.200 -0.000 0.000 2.676 270 E HA 0.408 4.758 4.350 -0.000 0.000 0.225 270 E C 0.307 176.906 176.600 -0.003 0.000 0.944 270 E CA 0.110 56.510 56.400 0.000 0.000 1.156 270 E CB 0.902 30.605 29.700 0.005 0.000 1.117 270 E HN 0.633 nan 8.360 nan 0.000 0.523 271 G N 2.000 110.796 108.800 -0.007 0.000 2.697 271 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.686 271 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.686 271 G C 0.069 174.960 174.900 -0.015 0.000 1.179 271 G CA -0.544 44.549 45.100 -0.011 0.000 0.765 271 G HN 0.001 nan 8.290 nan 0.000 0.649 272 K N 0.661 121.048 120.400 -0.022 0.000 2.211 272 K HA -0.042 4.278 4.320 -0.000 0.000 0.204 272 K C 2.894 179.478 176.600 -0.028 0.000 1.047 272 K CA 1.788 58.055 56.287 -0.032 0.000 0.935 272 K CB -0.097 32.380 32.500 -0.038 0.000 0.728 272 K HN 0.788 nan 8.250 nan 0.000 0.452 273 A N 1.814 124.622 122.820 -0.020 0.000 1.902 273 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 273 A C 2.437 180.013 177.584 -0.014 0.000 1.181 273 A CA 1.781 53.807 52.037 -0.018 0.000 0.623 273 A CB -0.602 18.390 19.000 -0.014 0.000 0.818 273 A HN 0.324 nan 8.150 nan 0.000 0.443 274 A N -0.478 122.337 122.820 -0.008 0.000 1.898 274 A HA 0.152 4.472 4.320 -0.000 0.000 0.216 274 A C 2.424 180.014 177.584 0.010 0.000 1.181 274 A CA 1.876 53.912 52.037 -0.000 0.000 0.620 274 A CB -1.408 17.595 19.000 0.005 0.000 0.819 274 A HN 0.724 nan 8.150 nan 0.000 0.442 275 G N -0.746 108.062 108.800 0.012 0.000 2.440 275 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.218 275 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.218 275 G C 1.606 176.525 174.900 0.032 0.000 1.154 275 G CA 1.038 46.162 45.100 0.039 0.000 0.767 275 G HN 0.642 nan 8.290 nan 0.000 0.552 276 Q N -0.262 119.532 119.800 -0.010 0.000 2.084 276 Q HA -0.078 4.262 4.340 -0.000 0.000 0.202 276 Q C 2.548 178.529 176.000 -0.031 0.000 0.978 276 Q CA 1.108 56.899 55.803 -0.021 0.000 0.844 276 Q CB -0.162 28.558 28.738 -0.030 0.000 0.898 276 Q HN 0.238 nan 8.270 nan 0.000 0.426 277 K N 1.089 121.470 120.400 -0.032 0.000 2.057 277 K HA -0.094 4.226 4.320 -0.000 0.000 0.207 277 K C 1.920 178.467 176.600 -0.089 0.000 1.049 277 K CA 1.428 57.686 56.287 -0.048 0.000 0.931 277 K CB -0.328 32.153 32.500 -0.032 0.000 0.714 277 K HN 0.176 nan 8.250 nan 0.000 0.440 278 A N 1.171 123.943 122.820 -0.081 0.000 1.902 278 A HA -0.196 4.123 4.320 -0.000 0.000 0.217 278 A C 2.160 179.434 177.584 -0.517 0.000 1.181 278 A CA 1.984 53.917 52.037 -0.172 0.000 0.623 278 A CB -0.532 18.481 19.000 0.023 0.000 0.818 278 A HN 0.593 nan 8.150 nan 0.000 0.443 279 E N -0.441 119.524 120.200 -0.391 0.000 2.077 279 E HA -0.248 4.102 4.350 -0.000 0.000 0.193 279 E C 2.187 178.604 176.600 -0.305 0.000 0.989 279 E CA 1.308 57.427 56.400 -0.469 0.000 0.800 279 E CB -0.180 29.548 29.700 0.046 0.000 0.746 279 E HN 0.749 nan 8.360 nan 0.000 0.452 280 Q N -0.094 119.605 119.800 -0.169 0.000 2.061 280 Q HA -0.259 4.081 4.340 -0.000 0.000 0.204 280 Q C 2.265 178.186 176.000 -0.132 0.000 0.984 280 Q CA 1.789 57.526 55.803 -0.110 0.000 0.846 280 Q CB -0.128 28.568 28.738 -0.070 0.000 0.902 280 Q HN 0.172 nan 8.270 nan 0.000 0.421 281 Q N 0.257 119.958 119.800 -0.165 0.000 2.084 281 Q HA -0.107 4.233 4.340 -0.000 0.000 0.202 281 Q C 1.816 177.717 176.000 -0.164 0.000 0.978 281 Q CA 1.722 57.442 55.803 -0.138 0.000 0.844 281 Q CB -0.405 28.260 28.738 -0.122 0.000 0.898 281 Q HN 0.384 nan 8.270 nan 0.000 0.426 282 A N 0.186 122.825 122.820 -0.301 0.000 1.883 282 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 282 A C 2.155 179.665 177.584 -0.123 0.000 1.186 282 A CA 1.630 53.506 52.037 -0.268 0.000 0.624 282 A CB -0.821 17.821 19.000 -0.596 0.000 0.822 282 A HN 0.463 nan 8.150 nan 0.000 0.444 283 I N -0.327 120.173 120.570 -0.117 0.000 2.226 283 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 283 I C 2.953 179.050 176.117 -0.032 0.000 1.100 283 I CA 1.004 62.279 61.300 -0.042 0.000 1.374 283 I CB -0.314 37.670 38.000 -0.025 0.000 1.057 283 I HN 0.373 nan 8.210 nan 0.000 0.413 284 A N 0.313 123.104 122.820 -0.048 0.000 1.933 284 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 284 A C 1.765 179.335 177.584 -0.024 0.000 1.175 284 A CA 2.018 54.036 52.037 -0.032 0.000 0.628 284 A CB -0.565 18.412 19.000 -0.039 0.000 0.814 284 A HN 0.332 nan 8.150 nan 0.000 0.444 285 D N -1.152 119.229 120.400 -0.030 0.000 2.378 285 D HA 0.250 4.890 4.640 -0.000 0.000 0.227 285 D C 1.356 177.657 176.300 0.001 0.000 1.012 285 D CA 1.198 55.189 54.000 -0.015 0.000 0.905 285 D CB -0.178 40.611 40.800 -0.017 0.000 0.895 285 D HN 0.624 nan 8.370 nan 0.000 0.532 286 G N 0.607 109.408 108.800 0.002 0.000 2.136 286 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.242 286 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.242 286 G C 0.252 175.168 174.900 0.026 0.000 0.989 286 G CA -0.090 45.018 45.100 0.013 0.000 0.682 286 G HN 0.315 nan 8.290 nan 0.000 0.522 287 K N -0.429 119.991 120.400 0.033 0.000 2.185 287 K HA 0.542 4.862 4.320 -0.000 0.000 0.271 287 K C 0.413 177.055 176.600 0.069 0.000 1.013 287 K CA -0.849 55.477 56.287 0.064 0.000 0.943 287 K CB 1.324 33.885 32.500 0.102 0.000 0.998 287 K HN 0.196 nan 8.250 nan 0.000 0.468 288 L N 4.106 125.369 121.223 0.066 0.000 2.360 288 L HA 0.165 4.505 4.340 -0.000 0.000 0.276 288 L C -0.657 176.266 176.870 0.089 0.000 1.121 288 L CA 0.010 54.880 54.840 0.049 0.000 0.845 288 L CB 0.310 42.368 42.059 -0.002 0.000 1.143 288 L HN 0.397 nan 8.230 nan 0.000 0.452 289 I N 6.522 127.143 120.570 0.087 0.000 2.441 289 I HA 0.209 4.379 4.170 -0.000 0.000 0.287 289 I C 0.061 176.184 176.117 0.009 0.000 1.049 289 I CA -0.232 61.139 61.300 0.118 0.000 1.381 289 I CB 0.816 38.889 38.000 0.120 0.000 1.409 289 I HN 0.431 nan 8.210 nan 0.000 0.523 290 I N 7.070 127.644 120.570 0.005 0.000 2.355 290 I HA 0.365 4.535 4.170 -0.000 0.000 0.288 290 I C 0.302 176.348 176.117 -0.118 0.000 0.999 290 I CA -0.594 60.687 61.300 -0.033 0.000 1.163 290 I CB 1.118 39.156 38.000 0.064 0.000 1.316 290 I HN 0.620 nan 8.210 nan 0.000 0.454 291 K N 5.403 125.590 120.400 -0.354 0.000 2.261 291 K HA 0.777 5.097 4.320 -0.000 0.000 0.242 291 K C -1.321 175.089 176.600 -0.316 0.000 1.083 291 K CA -0.872 54.939 56.287 -0.793 0.000 0.880 291 K CB 2.742 34.121 32.500 -1.868 0.000 1.353 291 K HN 0.533 nan 8.250 nan 0.000 0.486 292 D N -0.561 119.735 120.400 -0.174 0.000 2.661 292 D HA 0.416 5.056 4.640 -0.000 0.000 0.228 292 D C -1.191 175.233 176.300 0.207 0.000 1.210 292 D CA -0.656 53.394 54.000 0.085 0.000 0.826 292 D CB 2.238 43.173 40.800 0.224 0.000 1.542 292 D HN 0.288 nan 8.370 nan 0.000 0.447 293 V N 1.100 121.083 119.914 0.115 0.000 2.733 293 V HA 0.325 4.445 4.120 -0.000 0.000 0.306 293 V C 0.334 176.306 176.094 -0.205 0.000 1.084 293 V CA -0.923 61.432 62.300 0.093 0.000 0.905 293 V CB 1.784 33.727 31.823 0.199 0.000 1.010 293 V HN 0.563 nan 8.190 nan 0.000 0.424 294 I N 2.996 123.452 120.570 -0.189 0.000 2.648 294 I HA 0.157 4.327 4.170 -0.000 0.000 0.284 294 I C 1.856 177.879 176.117 -0.156 0.000 1.153 294 I CA 0.373 61.468 61.300 -0.342 0.000 1.426 294 I CB 1.150 39.063 38.000 -0.146 0.000 1.381 294 I HN 0.871 nan 8.210 nan 0.000 0.571 295 A N 5.309 128.012 122.820 -0.194 0.000 1.892 295 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 295 A C 1.915 179.528 177.584 0.048 0.000 1.188 295 A CA 2.237 54.238 52.037 -0.059 0.000 0.631 295 A CB -0.628 18.317 19.000 -0.093 0.000 0.822 295 A HN 0.921 nan 8.150 nan 0.000 0.447 296 D N 0.036 120.447 120.400 0.018 0.000 2.097 296 D HA -0.211 4.429 4.640 -0.000 0.000 0.195 296 D C 1.590 177.916 176.300 0.042 0.000 0.989 296 D CA 1.635 55.656 54.000 0.036 0.000 0.827 296 D CB -1.045 39.769 40.800 0.022 0.000 0.966 296 D HN 0.461 nan 8.370 nan 0.000 0.456 297 N N -0.399 118.330 118.700 0.047 0.000 2.166 297 N HA -0.191 4.549 4.740 -0.000 0.000 0.186 297 N C 1.514 177.066 175.510 0.070 0.000 1.019 297 N CA 0.710 53.795 53.050 0.060 0.000 0.856 297 N CB -0.623 37.911 38.487 0.080 0.000 0.993 297 N HN 0.174 nan 8.380 nan 0.000 0.426 298 F N 0.529 120.435 119.950 -0.073 0.000 2.126 298 F HA -0.091 4.436 4.527 -0.000 0.000 0.299 298 F C 1.766 177.485 175.800 -0.135 0.000 1.096 298 F CA 0.994 58.910 58.000 -0.140 0.000 1.255 298 F CB -0.473 38.424 39.000 -0.172 0.000 0.997 298 F HN 0.050 nan 8.300 nan 0.000 0.479 299 L N 0.390 121.562 121.223 -0.084 0.000 2.079 299 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 299 L C 2.589 179.356 176.870 -0.171 0.000 1.081 299 L CA 1.955 56.706 54.840 -0.149 0.000 0.752 299 L CB -1.331 40.718 42.059 -0.017 0.000 0.896 299 L HN 0.331 nan 8.230 nan 0.000 0.433 300 Q N -1.146 118.590 119.800 -0.106 0.000 2.046 300 Q HA -0.219 4.121 4.340 -0.000 0.000 0.200 300 Q C 2.116 178.054 176.000 -0.104 0.000 0.975 300 Q CA 1.276 57.034 55.803 -0.074 0.000 0.836 300 Q CB 0.064 28.790 28.738 -0.021 0.000 0.896 300 Q HN 0.464 nan 8.270 nan 0.000 0.428 301 Q N 0.567 120.283 119.800 -0.140 0.000 2.119 301 Q HA -0.140 4.200 4.340 -0.000 0.000 0.201 301 Q C 2.191 178.080 176.000 -0.186 0.000 0.972 301 Q CA 1.415 57.165 55.803 -0.088 0.000 0.847 301 Q CB -0.376 28.378 28.738 0.026 0.000 0.903 301 Q HN 0.698 nan 8.270 nan 0.000 0.433 302 I N -3.210 117.065 120.570 -0.493 0.000 2.830 302 I HA -0.119 4.051 4.170 -0.000 0.000 0.263 302 I C 1.762 177.768 176.117 -0.185 0.000 1.230 302 I CA 0.807 61.847 61.300 -0.433 0.000 1.480 302 I CB -0.261 37.340 38.000 -0.665 0.000 1.095 302 I HN -0.002 nan 8.210 nan 0.000 0.455 303 L N 0.224 121.360 121.223 -0.145 0.000 2.253 303 L HA 0.111 4.451 4.340 -0.000 0.000 0.205 303 L C 2.454 179.306 176.870 -0.031 0.000 1.078 303 L CA 0.542 55.338 54.840 -0.074 0.000 0.805 303 L CB -0.153 41.865 42.059 -0.068 0.000 0.963 303 L HN 0.226 nan 8.230 nan 0.000 0.459 304 L N 0.110 121.320 121.223 -0.021 0.000 2.095 304 L HA -0.040 4.299 4.340 -0.000 0.000 0.204 304 L C 0.821 177.709 176.870 0.029 0.000 1.080 304 L CA 0.885 55.731 54.840 0.010 0.000 0.759 304 L CB -0.091 41.979 42.059 0.018 0.000 0.914 304 L HN 0.344 nan 8.230 nan 0.000 0.439 305 R N -1.297 119.235 120.500 0.052 0.000 2.754 305 R HA 0.248 4.587 4.340 -0.000 0.000 0.255 305 R C -2.547 173.837 176.300 0.140 0.000 1.723 305 R CA -1.192 54.953 56.100 0.076 0.000 1.596 305 R CB 0.086 30.431 30.300 0.075 0.000 1.424 305 R HN -0.121 nan 8.270 nan 0.000 0.662 306 P HA -0.220 nan 4.420 nan 0.000 0.222 306 P C 0.981 178.379 177.300 0.163 0.000 1.147 306 P CA 1.186 64.372 63.100 0.143 0.000 0.790 306 P CB 0.260 31.991 31.700 0.052 0.000 0.780 307 E N 0.275 120.521 120.200 0.077 0.000 2.267 307 E HA -0.200 4.150 4.350 -0.000 0.000 0.197 307 E C 0.517 177.116 176.600 -0.002 0.000 0.998 307 E CA 1.162 57.583 56.400 0.034 0.000 0.830 307 E CB -1.041 28.658 29.700 -0.002 0.000 0.751 307 E HN 0.218 nan 8.360 nan 0.000 0.491 308 D N -0.385 119.982 120.400 -0.056 0.000 2.340 308 D HA 0.086 4.725 4.640 -0.000 0.000 0.220 308 D C -0.594 175.357 176.300 -0.582 0.000 1.039 308 D CA 0.363 54.179 54.000 -0.307 0.000 0.866 308 D CB -0.068 40.476 40.800 -0.428 0.000 0.913 308 D HN 0.214 nan 8.370 nan 0.000 0.523 309 Y N -1.077 119.267 120.300 0.072 0.000 2.499 309 Y HA 0.424 4.974 4.550 -0.000 0.000 0.347 309 Y C 0.970 176.925 175.900 0.093 0.000 0.987 309 Y CA -0.750 57.411 58.100 0.103 0.000 1.044 309 Y CB 2.141 40.696 38.460 0.157 0.000 1.245 309 Y HN -0.344 nan 8.280 nan 0.000 0.461 310 S N 0.381 116.228 115.700 0.245 0.000 3.517 310 S HA 0.396 4.866 4.470 -0.000 0.000 0.173 310 S C -0.612 174.104 174.600 0.194 0.000 0.785 310 S CA 0.049 58.356 58.200 0.180 0.000 0.932 310 S CB -0.029 63.248 63.200 0.128 0.000 1.213 310 S HN 0.252 nan 8.310 nan 0.000 0.772 311 V N 2.723 122.740 119.914 0.171 0.000 2.481 311 V HA 0.647 4.767 4.120 -0.000 0.000 0.286 311 V C -0.662 175.510 176.094 0.129 0.000 1.042 311 V CA -0.472 61.925 62.300 0.162 0.000 0.928 311 V CB 1.358 33.262 31.823 0.135 0.000 0.986 311 V HN 0.402 nan 8.190 nan 0.000 0.462 312 V N 3.229 123.223 119.914 0.133 0.000 2.604 312 V HA 0.827 4.947 4.120 -0.000 0.000 0.305 312 V C 0.111 176.249 176.094 0.073 0.000 1.043 312 V CA -0.575 61.759 62.300 0.056 0.000 0.888 312 V CB 1.866 33.712 31.823 0.039 0.000 0.995 312 V HN 1.006 nan 8.190 nan 0.000 0.429 313 A N 2.934 125.772 122.820 0.030 0.000 2.304 313 A HA 0.882 5.202 4.320 -0.000 0.000 0.314 313 A C -0.298 177.373 177.584 0.146 0.000 1.187 313 A CA -0.410 51.709 52.037 0.137 0.000 0.810 313 A CB 1.728 20.796 19.000 0.114 0.000 1.183 313 A HN 0.797 nan 8.150 nan 0.000 0.487 314 T N 1.430 116.005 114.554 0.034 0.000 2.787 314 T HA 0.591 4.941 4.350 -0.000 0.000 0.297 314 T C -0.652 173.727 174.700 -0.535 0.000 1.221 314 T CA -0.400 61.484 62.100 -0.359 0.000 1.006 314 T CB 0.477 69.157 68.868 -0.314 0.000 1.328 314 T HN 0.466 nan 8.240 nan 0.000 0.509 315 L N 2.310 123.076 121.223 -0.762 0.000 2.482 315 L HA 0.446 4.786 4.340 -0.000 0.000 0.242 315 L C 2.136 178.787 176.870 -0.365 0.000 1.210 315 L CA -0.262 54.246 54.840 -0.554 0.000 0.819 315 L CB 0.170 41.911 42.059 -0.531 0.000 1.203 315 L HN 0.619 nan 8.230 nan 0.000 0.495 316 N N -0.060 118.431 118.700 -0.348 0.000 2.025 316 N HA -0.188 4.552 4.740 -0.000 0.000 0.194 316 N C 1.642 176.785 175.510 -0.611 0.000 1.044 316 N CA 1.633 54.370 53.050 -0.523 0.000 0.851 316 N CB -0.207 37.890 38.487 -0.650 0.000 1.036 316 N HN 0.566 nan 8.380 nan 0.000 0.422 317 L N 0.963 121.914 121.223 -0.452 0.000 1.994 317 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 317 L C 1.747 178.360 176.870 -0.429 0.000 1.071 317 L CA 1.318 55.976 54.840 -0.303 0.000 0.745 317 L CB -0.469 41.475 42.059 -0.192 0.000 0.892 317 L HN 0.182 nan 8.230 nan 0.000 0.431 318 N N 0.479 118.956 118.700 -0.371 0.000 2.061 318 N HA -0.173 4.567 4.740 -0.000 0.000 0.193 318 N C 1.699 177.103 175.510 -0.176 0.000 1.030 318 N CA 1.572 54.447 53.050 -0.291 0.000 0.856 318 N CB -0.900 37.424 38.487 -0.271 0.000 1.023 318 N HN 0.480 nan 8.380 nan 0.000 0.424 319 G N 0.465 109.146 108.800 -0.199 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 1.350 176.221 174.900 -0.048 0.000 1.141 319 G CA 1.195 46.221 45.100 -0.122 0.000 0.763 319 G HN 0.365 nan 8.290 nan 0.000 0.554 320 D N -0.598 119.767 120.400 -0.059 0.000 2.084 320 D HA -0.151 4.489 4.640 -0.000 0.000 0.194 320 D C 2.148 178.599 176.300 0.253 0.000 0.990 320 D CA 0.912 54.968 54.000 0.092 0.000 0.826 320 D CB -0.240 40.665 40.800 0.175 0.000 0.971 320 D HN 0.288 nan 8.370 nan 0.000 0.453 321 Y N 0.265 120.574 120.300 0.014 0.000 2.163 321 Y HA -0.051 4.498 4.550 -0.000 0.000 0.288 321 Y C 2.702 178.615 175.900 0.022 0.000 1.136 321 Y CA 0.272 58.384 58.100 0.020 0.000 1.147 321 Y CB -1.092 37.379 38.460 0.018 0.000 0.987 321 Y HN -0.064 nan 8.280 nan 0.000 0.509 322 V N -0.679 119.355 119.914 0.200 0.000 2.392 322 V HA -0.279 3.841 4.120 -0.000 0.000 0.249 322 V C 2.342 178.499 176.094 0.106 0.000 1.059 322 V CA 1.974 64.368 62.300 0.156 0.000 1.051 322 V CB -0.887 31.053 31.823 0.194 0.000 0.658 322 V HN 0.343 nan 8.190 nan 0.000 0.455 323 S N -0.024 115.729 115.700 0.088 0.000 2.359 323 S HA -0.246 4.224 4.470 -0.000 0.000 0.224 323 S C 1.710 176.346 174.600 0.059 0.000 1.035 323 S CA 1.936 60.173 58.200 0.061 0.000 1.018 323 S CB -0.403 62.823 63.200 0.043 0.000 0.876 323 S HN 0.654 nan 8.310 nan 0.000 0.448 324 D N 1.151 121.589 120.400 0.065 0.000 2.149 324 D HA 0.110 4.750 4.640 -0.000 0.000 0.201 324 D C 2.086 178.401 176.300 0.025 0.000 0.972 324 D CA 1.020 55.045 54.000 0.042 0.000 0.835 324 D CB -0.283 40.534 40.800 0.028 0.000 0.966 324 D HN 0.361 nan 8.370 nan 0.000 0.476 325 A N 0.223 123.057 122.820 0.024 0.000 1.873 325 A HA -0.092 4.228 4.320 -0.000 0.000 0.215 325 A C 2.196 179.780 177.584 0.001 0.000 1.186 325 A CA 0.822 52.860 52.037 0.001 0.000 0.616 325 A CB -0.748 18.246 19.000 -0.009 0.000 0.823 325 A HN 0.193 nan 8.150 nan 0.000 0.442 326 L N -0.777 120.454 121.223 0.013 0.000 2.046 326 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 326 L C 3.140 180.036 176.870 0.044 0.000 1.077 326 L CA 1.083 55.934 54.840 0.019 0.000 0.747 326 L CB -0.571 41.510 42.059 0.037 0.000 0.896 326 L HN 0.464 nan 8.230 nan 0.000 0.432 327 A N 0.055 122.907 122.820 0.053 0.000 1.908 327 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 327 A C 2.505 180.126 177.584 0.062 0.000 1.181 327 A CA 1.861 53.939 52.037 0.069 0.000 0.627 327 A CB -0.725 18.314 19.000 0.064 0.000 0.818 327 A HN 0.444 nan 8.150 nan 0.000 0.445 328 A N -0.202 122.640 122.820 0.037 0.000 1.978 328 A HA -0.203 4.116 4.320 -0.000 0.000 0.220 328 A C 1.868 179.472 177.584 0.033 0.000 1.170 328 A CA 1.654 53.707 52.037 0.026 0.000 0.636 328 A CB -0.552 18.450 19.000 0.005 0.000 0.810 328 A HN 0.672 nan 8.150 nan 0.000 0.448 329 E N -0.416 119.802 120.200 0.031 0.000 2.204 329 E HA -0.106 4.244 4.350 -0.000 0.000 0.195 329 E C 1.318 177.959 176.600 0.068 0.000 0.990 329 E CA 1.443 57.857 56.400 0.024 0.000 0.821 329 E CB -0.207 29.497 29.700 0.005 0.000 0.750 329 E HN 0.667 nan 8.360 nan 0.000 0.477 330 V N -3.636 116.357 119.914 0.132 0.000 3.177 330 V HA 0.560 4.680 4.120 -0.000 0.000 0.342 330 V C 0.843 177.072 176.094 0.225 0.000 1.379 330 V CA 0.261 62.720 62.300 0.266 0.000 1.191 330 V CB 0.191 32.208 31.823 0.323 0.000 1.167 330 V HN 0.242 nan 8.190 nan 0.000 0.471 331 G N -1.527 107.355 108.800 0.136 0.000 2.255 331 G HA2 0.336 4.296 3.960 -0.000 0.000 0.196 331 G HA3 0.336 4.296 3.960 -0.000 0.000 0.196 331 G C 1.044 175.966 174.900 0.037 0.000 0.998 331 G CA 0.077 45.227 45.100 0.084 0.000 0.656 331 G HN 2.305 nan 8.290 nan 0.000 0.490 332 G N -0.509 108.318 108.800 0.046 0.000 2.498 332 G HA2 0.233 4.193 3.960 -0.000 0.000 0.651 332 G HA3 0.233 4.193 3.960 -0.000 0.000 0.651 332 G C 0.716 175.638 174.900 0.038 0.000 1.284 332 G CA 0.007 45.123 45.100 0.026 0.000 0.950 332 G HN 1.572 nan 8.290 nan 0.000 0.511 333 I N -1.233 119.360 120.570 0.038 0.000 3.444 333 I HA 0.339 4.509 4.170 -0.000 0.000 0.287 333 I C 1.734 177.915 176.117 0.107 0.000 1.302 333 I CA 1.217 62.565 61.300 0.080 0.000 1.368 333 I CB -0.414 37.645 38.000 0.098 0.000 1.048 333 I HN 0.687 nan 8.210 nan 0.000 0.487 334 G N 1.282 110.095 108.800 0.021 0.000 2.880 334 G HA2 0.146 4.106 3.960 -0.000 0.000 0.209 334 G HA3 0.146 4.106 3.960 -0.000 0.000 0.209 334 G C 0.954 175.847 174.900 -0.012 0.000 1.157 334 G CA -0.041 45.045 45.100 -0.023 0.000 0.779 334 G HN 0.301 nan 8.290 nan 0.000 0.539 335 M N 1.126 120.737 119.600 0.019 0.000 3.036 335 M HA 0.500 4.980 4.480 -0.000 0.000 0.323 335 M C -0.190 176.165 176.300 0.092 0.000 1.248 335 M CA -0.687 54.624 55.300 0.017 0.000 0.819 335 M CB 0.686 33.310 32.600 0.040 0.000 1.361 335 M HN 0.083 nan 8.290 nan 0.000 0.510 336 A N 2.235 125.111 122.820 0.093 0.000 2.745 336 A HA 0.733 5.053 4.320 -0.000 0.000 0.301 336 A C -2.739 174.887 177.584 0.069 0.000 1.188 336 A CA -0.891 51.203 52.037 0.095 0.000 0.746 336 A CB 1.305 20.356 19.000 0.085 0.000 1.207 336 A HN 0.130 nan 8.150 nan 0.000 0.432 337 P HA 0.662 nan 4.420 nan 0.000 0.279 337 P C 0.245 177.565 177.300 0.033 0.000 1.276 337 P CA -0.073 63.063 63.100 0.060 0.000 0.801 337 P CB 2.018 33.775 31.700 0.094 0.000 1.127 338 G N -1.567 107.253 108.800 0.033 0.000 2.623 338 G HA2 0.617 4.577 3.960 -0.000 0.000 0.290 338 G HA3 0.617 4.577 3.960 -0.000 0.000 0.290 338 G C -2.140 172.753 174.900 -0.012 0.000 1.437 338 G CA -0.395 44.694 45.100 -0.019 0.000 0.798 338 G HN 0.583 nan 8.290 nan 0.000 0.488 339 A N 0.284 123.016 122.820 -0.146 0.000 2.486 339 A HA 0.786 5.106 4.320 -0.000 0.000 0.300 339 A C -0.974 176.389 177.584 -0.368 0.000 1.048 339 A CA -0.859 50.967 52.037 -0.353 0.000 0.696 339 A CB 1.511 20.236 19.000 -0.458 0.000 1.278 339 A HN 0.531 nan 8.150 nan 0.000 0.405 340 N N 1.794 120.249 118.700 -0.408 0.000 2.444 340 N HA 0.561 5.301 4.740 -0.000 0.000 0.262 340 N C -1.333 173.968 175.510 -0.349 0.000 0.974 340 N CA -0.089 52.778 53.050 -0.306 0.000 0.933 340 N CB 1.566 39.927 38.487 -0.209 0.000 1.137 340 N HN 0.550 nan 8.380 nan 0.000 0.498 341 L N 0.963 121.997 121.223 -0.316 0.000 2.381 341 L HA 0.458 4.798 4.340 -0.000 0.000 0.268 341 L C 0.750 177.448 176.870 -0.286 0.000 0.997 341 L CA -0.616 54.051 54.840 -0.288 0.000 0.818 341 L CB 1.966 43.862 42.059 -0.271 0.000 1.310 341 L HN 0.512 nan 8.230 nan 0.000 0.416 342 S N -0.817 114.799 115.700 -0.140 0.000 2.618 342 S HA 0.357 4.827 4.470 -0.000 0.000 0.284 342 S C 0.237 174.847 174.600 0.018 0.000 1.102 342 S CA -0.621 57.544 58.200 -0.058 0.000 0.984 342 S CB 1.096 64.367 63.200 0.118 0.000 1.280 342 S HN 0.599 nan 8.310 nan 0.000 0.525 343 D N 0.738 121.248 120.400 0.184 0.000 2.347 343 D HA 0.118 4.758 4.640 -0.000 0.000 0.213 343 D C 1.388 177.776 176.300 0.147 0.000 0.985 343 D CA 1.487 55.593 54.000 0.177 0.000 0.879 343 D CB 0.135 41.063 40.800 0.214 0.000 0.919 343 D HN 0.769 nan 8.370 nan 0.000 0.526 344 T N -3.645 111.014 114.554 0.174 0.000 3.010 344 T HA 0.108 4.458 4.350 -0.000 0.000 0.253 344 T C 0.528 175.235 174.700 0.012 0.000 0.939 344 T CA -0.150 62.025 62.100 0.126 0.000 0.910 344 T CB 0.644 69.624 68.868 0.186 0.000 1.226 344 T HN -0.067 nan 8.240 nan 0.000 0.508 345 H N 1.070 120.165 119.070 0.043 0.000 2.710 345 H HA 0.886 5.442 4.556 -0.000 0.000 0.361 345 H C -0.622 174.655 175.328 -0.085 0.000 1.175 345 H CA -0.253 55.801 56.048 0.011 0.000 1.206 345 H CB 1.903 31.665 29.762 0.000 0.000 1.750 345 H HN 0.512 nan 8.280 nan 0.000 0.553 346 A N 1.624 124.417 122.820 -0.046 0.000 2.488 346 A HA 0.548 4.868 4.320 -0.000 0.000 0.295 346 A C -1.402 175.987 177.584 -0.325 0.000 1.045 346 A CA -0.501 51.324 52.037 -0.354 0.000 0.703 346 A CB 0.782 19.367 19.000 -0.691 0.000 1.271 346 A HN 0.587 nan 8.150 nan 0.000 0.400 347 I N 2.735 123.057 120.570 -0.413 0.000 2.411 347 I HA 0.355 4.525 4.170 -0.000 0.000 0.284 347 I C -1.106 174.781 176.117 -0.383 0.000 1.012 347 I CA -0.328 60.824 61.300 -0.246 0.000 1.119 347 I CB 1.180 39.113 38.000 -0.111 0.000 1.261 347 I HN 0.581 nan 8.210 nan 0.000 0.448 348 F N 4.941 124.857 119.950 -0.058 0.000 2.399 348 F HA 0.460 4.987 4.527 -0.000 0.000 0.342 348 F C 0.604 176.383 175.800 -0.034 0.000 1.106 348 F CA -0.116 57.852 58.000 -0.054 0.000 1.196 348 F CB 0.794 39.770 39.000 -0.040 0.000 1.163 348 F HN 0.446 nan 8.300 nan 0.000 0.547 349 E N 1.772 122.025 120.200 0.088 0.000 2.400 349 E HA 0.591 4.941 4.350 -0.000 0.000 0.285 349 E C -1.754 174.816 176.600 -0.049 0.000 1.005 349 E CA -0.951 55.451 56.400 0.004 0.000 0.816 349 E CB 1.498 31.174 29.700 -0.040 0.000 1.220 349 E HN 0.731 nan 8.360 nan 0.000 0.426 350 A N 2.231 124.968 122.820 -0.139 0.000 2.366 350 A HA 0.291 4.611 4.320 -0.000 0.000 0.249 350 A C 0.970 178.414 177.584 -0.233 0.000 1.084 350 A CA 0.405 52.303 52.037 -0.230 0.000 0.794 350 A CB 0.579 19.256 19.000 -0.538 0.000 1.034 350 A HN 0.727 nan 8.150 nan 0.000 0.491 351 T N 0.587 115.059 114.554 -0.136 0.000 2.867 351 T HA -0.034 4.316 4.350 -0.000 0.000 0.268 351 T C 0.857 175.528 174.700 -0.049 0.000 1.057 351 T CA 1.993 64.056 62.100 -0.062 0.000 1.136 351 T CB -0.632 68.241 68.868 0.008 0.000 0.874 351 T HN 0.942 nan 8.240 nan 0.000 0.466 352 H N -0.062 119.016 119.070 0.013 0.000 2.660 352 H HA 0.584 5.140 4.556 -0.000 0.000 0.374 352 H C 0.871 176.205 175.328 0.009 0.000 1.291 352 H CA -0.484 55.569 56.048 0.008 0.000 1.437 352 H CB 0.054 29.814 29.762 -0.002 0.000 1.509 352 H HN 0.083 nan 8.280 nan 0.000 0.614 353 G N -1.029 107.917 108.800 0.242 0.000 2.695 353 G HA2 0.254 4.213 3.960 -0.000 0.000 0.213 353 G HA3 0.254 4.213 3.960 -0.000 0.000 0.213 353 G C 0.695 175.721 174.900 0.210 0.000 1.406 353 G CA -0.237 44.958 45.100 0.160 0.000 1.049 353 G HN 0.905 nan 8.290 nan 0.000 0.573 354 T N -2.787 111.829 114.554 0.103 0.000 3.100 354 T HA 0.377 4.727 4.350 -0.000 0.000 0.253 354 T C 1.406 176.128 174.700 0.037 0.000 1.118 354 T CA 1.207 63.354 62.100 0.078 0.000 1.058 354 T CB -0.171 68.728 68.868 0.050 0.000 0.953 354 T HN 2.022 nan 8.240 nan 0.000 0.515 355 A N 2.838 125.670 122.820 0.020 0.000 2.362 355 A HA -0.079 4.241 4.320 -0.000 0.000 0.290 355 A C -0.450 177.123 177.584 -0.017 0.000 1.441 355 A CA 0.498 52.524 52.037 -0.019 0.000 0.743 355 A CB -1.772 17.185 19.000 -0.071 0.000 1.125 355 A HN 0.511 nan 8.150 nan 0.000 0.378 356 P HA -0.197 nan 4.420 nan 0.000 0.219 356 P C 0.993 178.285 177.300 -0.014 0.000 1.146 356 P CA 1.564 64.661 63.100 -0.006 0.000 0.808 356 P CB -0.121 31.577 31.700 -0.003 0.000 0.779 357 D N 0.804 121.192 120.400 -0.020 0.000 2.264 357 D HA -0.146 4.494 4.640 -0.000 0.000 0.208 357 D C 1.637 177.921 176.300 -0.027 0.000 0.966 357 D CA 0.939 54.925 54.000 -0.023 0.000 0.864 357 D CB -0.975 39.809 40.800 -0.026 0.000 0.933 357 D HN 0.390 nan 8.370 nan 0.000 0.499 358 I N -4.352 116.199 120.570 -0.033 0.000 4.338 358 I HA 0.500 4.670 4.170 -0.000 0.000 0.329 358 I C 0.558 176.656 176.117 -0.031 0.000 1.378 358 I CA -0.806 60.472 61.300 -0.037 0.000 1.170 358 I CB 0.304 38.271 38.000 -0.054 0.000 1.206 358 I HN -0.066 nan 8.210 nan 0.000 0.432 359 A N 1.866 124.672 122.820 -0.023 0.000 2.520 359 A HA 0.454 4.774 4.320 -0.000 0.000 0.245 359 A C 1.568 179.147 177.584 -0.008 0.000 1.072 359 A CA 0.830 52.860 52.037 -0.013 0.000 0.761 359 A CB -0.602 18.397 19.000 -0.002 0.000 1.004 359 A HN 1.266 nan 8.150 nan 0.000 0.499 360 G N 1.399 110.196 108.800 -0.005 0.000 2.162 360 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.260 360 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.260 360 G C 0.462 175.357 174.900 -0.007 0.000 0.976 360 G CA 0.799 45.897 45.100 -0.002 0.000 0.655 360 G HN 0.869 nan 8.290 nan 0.000 0.533 361 Q N -0.643 119.149 119.800 -0.014 0.000 2.247 361 Q HA 0.425 4.765 4.340 -0.000 0.000 0.211 361 Q C 1.678 177.668 176.000 -0.018 0.000 0.861 361 Q CA 0.218 56.012 55.803 -0.016 0.000 0.949 361 Q CB 0.904 29.630 28.738 -0.020 0.000 1.115 361 Q HN 1.431 nan 8.270 nan 0.000 0.507 362 G N 2.137 110.926 108.800 -0.017 0.000 2.273 362 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.280 362 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.280 362 G C 0.566 175.451 174.900 -0.025 0.000 1.047 362 G CA 0.925 46.015 45.100 -0.016 0.000 0.869 362 G HN 0.314 nan 8.290 nan 0.000 0.502 363 K N -0.371 120.005 120.400 -0.040 0.000 2.365 363 K HA 0.507 4.827 4.320 -0.000 0.000 0.195 363 K C 1.730 178.278 176.600 -0.088 0.000 1.079 363 K CA 0.370 56.622 56.287 -0.057 0.000 0.979 363 K CB 0.438 32.904 32.500 -0.058 0.000 0.929 363 K HN 0.634 nan 8.250 nan 0.000 0.523 364 A N 2.532 125.296 122.820 -0.093 0.000 2.587 364 A HA -0.072 4.248 4.320 -0.000 0.000 0.233 364 A C 0.066 177.555 177.584 -0.160 0.000 1.049 364 A CA 0.039 51.992 52.037 -0.139 0.000 0.754 364 A CB -0.083 18.835 19.000 -0.136 0.000 0.977 364 A HN 0.225 nan 8.150 nan 0.000 0.509 365 N N 2.535 121.104 118.700 -0.219 0.000 2.411 365 N HA 0.212 4.952 4.740 -0.000 0.000 0.259 365 N C -1.723 173.694 175.510 -0.155 0.000 1.103 365 N CA -1.974 50.914 53.050 -0.268 0.000 0.954 365 N CB 1.102 39.413 38.487 -0.295 0.000 1.085 365 N HN 0.353 nan 8.380 nan 0.000 0.485 366 P HA 0.085 nan 4.420 nan 0.000 0.249 366 P C 0.647 177.995 177.300 0.081 0.000 1.229 366 P CA 0.176 63.307 63.100 0.052 0.000 0.788 366 P CB 0.445 32.210 31.700 0.108 0.000 1.072 367 S N 0.323 116.037 115.700 0.022 0.000 2.370 367 S HA -0.123 4.347 4.470 -0.000 0.000 0.226 367 S C 2.101 176.712 174.600 0.019 0.000 1.033 367 S CA 1.676 59.889 58.200 0.021 0.000 1.011 367 S CB -0.806 62.336 63.200 -0.097 0.000 0.852 367 S HN 0.278 nan 8.310 nan 0.000 0.457 368 S N 1.550 117.285 115.700 0.058 0.000 2.359 368 S HA -0.098 4.372 4.470 -0.000 0.000 0.224 368 S C 1.810 176.457 174.600 0.079 0.000 1.035 368 S CA 1.195 59.451 58.200 0.094 0.000 1.018 368 S CB -0.485 62.834 63.200 0.199 0.000 0.876 368 S HN 0.324 nan 8.310 nan 0.000 0.448 369 L N 1.481 122.768 121.223 0.107 0.000 2.093 369 L HA 0.112 4.452 4.340 -0.000 0.000 0.208 369 L C 1.895 178.805 176.870 0.067 0.000 1.085 369 L CA 1.356 56.241 54.840 0.076 0.000 0.755 369 L CB -0.510 41.602 42.059 0.088 0.000 0.904 369 L HN 0.281 nan 8.230 nan 0.000 0.435 370 I N -1.152 119.460 120.570 0.069 0.000 2.226 370 I HA -0.319 3.851 4.170 -0.000 0.000 0.245 370 I C 2.204 178.356 176.117 0.058 0.000 1.100 370 I CA 1.232 62.571 61.300 0.065 0.000 1.374 370 I CB -0.222 37.824 38.000 0.076 0.000 1.057 370 I HN 0.227 nan 8.210 nan 0.000 0.413 371 L N -0.444 120.810 121.223 0.052 0.000 2.217 371 L HA -0.124 4.216 4.340 -0.000 0.000 0.211 371 L C 2.528 179.444 176.870 0.076 0.000 1.107 371 L CA 0.771 55.652 54.840 0.069 0.000 0.783 371 L CB -0.406 41.696 42.059 0.072 0.000 0.919 371 L HN 0.161 nan 8.230 nan 0.000 0.442 372 S N 0.117 115.862 115.700 0.075 0.000 2.402 372 S HA -0.095 4.375 4.470 -0.000 0.000 0.229 372 S C 2.191 176.793 174.600 0.002 0.000 1.021 372 S CA 1.066 59.327 58.200 0.101 0.000 0.974 372 S CB -0.132 63.144 63.200 0.127 0.000 0.800 372 S HN 0.490 nan 8.310 nan 0.000 0.484 373 A N 1.069 123.886 122.820 -0.004 0.000 1.969 373 A HA 0.024 4.344 4.320 -0.000 0.000 0.218 373 A C 2.259 179.786 177.584 -0.095 0.000 1.169 373 A CA 0.991 52.990 52.037 -0.063 0.000 0.635 373 A CB -0.697 18.330 19.000 0.045 0.000 0.810 373 A HN 0.332 nan 8.150 nan 0.000 0.445 374 V N 0.071 119.975 119.914 -0.017 0.000 2.295 374 V HA -0.341 3.779 4.120 -0.000 0.000 0.246 374 V C 2.627 178.699 176.094 -0.037 0.000 1.049 374 V CA 2.340 64.645 62.300 0.010 0.000 1.024 374 V CB -0.730 31.138 31.823 0.075 0.000 0.648 374 V HN 0.599 nan 8.190 nan 0.000 0.447 375 M N -1.144 118.428 119.600 -0.048 0.000 2.149 375 M HA -0.268 4.211 4.480 -0.000 0.000 0.261 375 M C 2.283 178.368 176.300 -0.358 0.000 1.064 375 M CA 2.238 57.517 55.300 -0.035 0.000 1.102 375 M CB -0.452 32.245 32.600 0.162 0.000 1.369 375 M HN 0.364 nan 8.290 nan 0.000 0.408 376 M N 0.543 119.588 119.600 -0.924 0.000 2.132 376 M HA -0.184 4.296 4.480 -0.000 0.000 0.263 376 M C 1.920 177.942 176.300 -0.464 0.000 1.065 376 M CA 1.675 56.200 55.300 -1.293 0.000 1.122 376 M CB -0.034 31.848 32.600 -1.197 0.000 1.365 376 M HN 0.224 nan 8.290 nan 0.000 0.411 377 L N 0.068 121.129 121.223 -0.271 0.000 2.083 377 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 377 L C 2.267 179.126 176.870 -0.019 0.000 1.083 377 L CA 1.481 56.251 54.840 -0.117 0.000 0.752 377 L CB -0.727 41.355 42.059 0.038 0.000 0.899 377 L HN 0.367 nan 8.230 nan 0.000 0.433 378 E N -0.901 119.306 120.200 0.013 0.000 2.077 378 E HA -0.285 4.064 4.350 -0.000 0.000 0.193 378 E C 2.049 178.706 176.600 0.095 0.000 0.989 378 E CA 1.377 57.827 56.400 0.084 0.000 0.800 378 E CB -0.188 29.580 29.700 0.113 0.000 0.746 378 E HN 0.500 nan 8.360 nan 0.000 0.452 379 H N 0.614 119.676 119.070 -0.014 0.000 2.387 379 H HA -0.054 4.502 4.556 -0.000 0.000 0.299 379 H C 1.758 177.068 175.328 -0.031 0.000 1.099 379 H CA 1.312 57.386 56.048 0.043 0.000 1.315 379 H CB 0.018 29.873 29.762 0.156 0.000 1.380 379 H HN 0.046 nan 8.280 nan 0.000 0.513 380 L N -1.006 120.167 121.223 -0.082 0.000 2.554 380 L HA 0.140 4.480 4.340 -0.000 0.000 0.226 380 L C 1.699 178.498 176.870 -0.118 0.000 1.137 380 L CA 0.539 55.228 54.840 -0.251 0.000 0.863 380 L CB 0.016 41.688 42.059 -0.645 0.000 0.985 380 L HN 0.634 nan 8.230 nan 0.000 0.451 381 G N -1.373 107.441 108.800 0.023 0.000 2.148 381 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.254 381 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.254 381 G C -0.249 174.858 174.900 0.345 0.000 0.981 381 G CA -0.350 44.839 45.100 0.148 0.000 0.670 381 G HN 0.307 nan 8.290 nan 0.000 0.528 382 W N 1.659 122.966 121.300 0.012 0.000 1.611 382 W HA 0.621 5.281 4.660 -0.000 0.000 0.395 382 W C 1.413 178.007 176.519 0.124 0.000 0.698 382 W CA -1.167 56.224 57.345 0.076 0.000 1.845 382 W CB -0.104 29.407 29.460 0.085 0.000 1.818 382 W HN 0.213 nan 8.180 nan 0.000 0.270 383 G N 0.272 109.241 108.800 0.282 0.000 2.408 383 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 383 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 383 G C 1.364 176.348 174.900 0.141 0.000 1.150 383 G CA 0.644 45.852 45.100 0.180 0.000 0.776 383 G HN 0.343 nan 8.290 nan 0.000 0.542 384 E N 0.516 120.807 120.200 0.151 0.000 2.077 384 E HA -0.075 4.275 4.350 -0.000 0.000 0.193 384 E C 2.926 179.474 176.600 -0.087 0.000 0.989 384 E CA 0.810 57.221 56.400 0.018 0.000 0.800 384 E CB -0.152 29.535 29.700 -0.022 0.000 0.746 384 E HN 0.418 nan 8.360 nan 0.000 0.452 385 A N 1.502 124.289 122.820 -0.055 0.000 1.898 385 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 385 A C 2.396 179.973 177.584 -0.012 0.000 1.181 385 A CA 1.515 53.480 52.037 -0.120 0.000 0.620 385 A CB -0.529 18.511 19.000 0.066 0.000 0.819 385 A HN 0.282 nan 8.150 nan 0.000 0.442 386 A N -1.009 121.863 122.820 0.086 0.000 1.883 386 A HA -0.201 4.118 4.320 -0.000 0.000 0.217 386 A C 2.095 179.720 177.584 0.070 0.000 1.186 386 A CA 1.841 53.928 52.037 0.083 0.000 0.624 386 A CB -0.492 18.570 19.000 0.102 0.000 0.822 386 A HN 0.445 nan 8.150 nan 0.000 0.444 387 Q N -0.445 119.389 119.800 0.056 0.000 2.167 387 Q HA -0.029 4.311 4.340 -0.000 0.000 0.202 387 Q C 2.332 178.364 176.000 0.053 0.000 0.970 387 Q CA 1.566 57.404 55.803 0.058 0.000 0.855 387 Q CB -0.934 27.831 28.738 0.045 0.000 0.911 387 Q HN 0.664 nan 8.270 nan 0.000 0.438 388 A N 0.519 123.341 122.820 0.003 0.000 1.930 388 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 388 A C 2.167 179.844 177.584 0.156 0.000 1.175 388 A CA 1.026 53.069 52.037 0.010 0.000 0.627 388 A CB -0.572 18.321 19.000 -0.178 0.000 0.815 388 A HN 0.324 nan 8.150 nan 0.000 0.443 389 I N -0.520 120.125 120.570 0.126 0.000 2.252 389 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 389 I C 2.305 178.535 176.117 0.189 0.000 1.102 389 I CA 0.992 62.441 61.300 0.247 0.000 1.385 389 I CB -0.309 37.787 38.000 0.160 0.000 1.064 389 I HN 0.139 nan 8.210 nan 0.000 0.414 390 V N 1.123 121.133 119.914 0.160 0.000 2.343 390 V HA -0.287 3.832 4.120 -0.000 0.000 0.247 390 V C 2.718 178.918 176.094 0.176 0.000 1.051 390 V CA 1.984 64.400 62.300 0.194 0.000 1.036 390 V CB -0.982 30.959 31.823 0.196 0.000 0.654 390 V HN 0.488 nan 8.190 nan 0.000 0.451 391 A N -0.008 122.895 122.820 0.139 0.000 1.902 391 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 391 A C 2.430 180.067 177.584 0.089 0.000 1.181 391 A CA 2.021 54.123 52.037 0.109 0.000 0.623 391 A CB -0.764 18.290 19.000 0.090 0.000 0.818 391 A HN 0.560 nan 8.150 nan 0.000 0.443 392 A N -0.916 121.965 122.820 0.101 0.000 1.902 392 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 392 A C 2.186 179.738 177.584 -0.054 0.000 1.181 392 A CA 2.244 54.275 52.037 -0.010 0.000 0.623 392 A CB -0.509 18.436 19.000 -0.091 0.000 0.818 392 A HN 0.590 nan 8.150 nan 0.000 0.443 393 M N 0.602 120.201 119.600 -0.002 0.000 2.080 393 M HA -0.155 4.325 4.480 -0.000 0.000 0.260 393 M C 1.561 177.888 176.300 0.045 0.000 1.068 393 M CA 2.019 57.305 55.300 -0.024 0.000 1.109 393 M CB -0.703 31.867 32.600 -0.049 0.000 1.342 393 M HN 0.402 nan 8.290 nan 0.000 0.405 394 N N 0.493 119.278 118.700 0.141 0.000 2.069 394 N HA -0.118 4.622 4.740 -0.000 0.000 0.191 394 N C 1.681 177.233 175.510 0.069 0.000 1.031 394 N CA 1.974 55.120 53.050 0.158 0.000 0.852 394 N CB -0.638 37.936 38.487 0.145 0.000 1.018 394 N HN 0.558 nan 8.380 nan 0.000 0.423 395 A N 0.096 122.935 122.820 0.032 0.000 2.014 395 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 395 A C 2.328 179.902 177.584 -0.017 0.000 1.163 395 A CA 1.546 53.585 52.037 0.003 0.000 0.652 395 A CB -0.661 18.332 19.000 -0.012 0.000 0.808 395 A HN 0.288 nan 8.150 nan 0.000 0.449 396 T N 0.320 114.849 114.554 -0.042 0.000 2.732 396 T HA -0.027 4.323 4.350 -0.000 0.000 0.261 396 T C 1.804 176.525 174.700 0.034 0.000 1.040 396 T CA 1.440 63.505 62.100 -0.059 0.000 1.145 396 T CB -0.359 68.398 68.868 -0.186 0.000 0.866 396 T HN 0.409 nan 8.240 nan 0.000 0.427 397 I N 1.575 122.187 120.570 0.069 0.000 2.286 397 I HA -0.143 4.027 4.170 -0.000 0.000 0.248 397 I C 2.880 179.024 176.117 0.044 0.000 1.115 397 I CA 1.007 62.355 61.300 0.079 0.000 1.392 397 I CB -0.439 37.597 38.000 0.060 0.000 1.065 397 I HN 0.183 nan 8.210 nan 0.000 0.418 398 A N 0.637 123.478 122.820 0.035 0.000 2.019 398 A HA -0.041 4.279 4.320 -0.000 0.000 0.219 398 A C 2.356 179.955 177.584 0.024 0.000 1.164 398 A CA 1.593 53.647 52.037 0.028 0.000 0.644 398 A CB -0.574 18.442 19.000 0.027 0.000 0.805 398 A HN 0.429 nan 8.150 nan 0.000 0.449 399 A N -1.800 121.031 122.820 0.018 0.000 2.238 399 A HA 0.416 4.736 4.320 -0.000 0.000 0.208 399 A C 1.737 179.332 177.584 0.019 0.000 1.177 399 A CA 1.134 53.178 52.037 0.012 0.000 0.804 399 A CB -0.868 18.130 19.000 -0.004 0.000 0.823 399 A HN 1.834 nan 8.150 nan 0.000 0.482 400 G N -0.500 108.318 108.800 0.031 0.000 2.136 400 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.242 400 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.242 400 G C -0.232 174.694 174.900 0.043 0.000 0.989 400 G CA 0.266 45.386 45.100 0.032 0.000 0.682 400 G HN 0.630 nan 8.290 nan 0.000 0.522 401 E N 0.299 120.539 120.200 0.066 0.000 2.014 401 E HA 0.494 4.844 4.350 -0.000 0.000 0.275 401 E C 0.357 177.097 176.600 0.234 0.000 0.997 401 E CA -0.124 56.341 56.400 0.107 0.000 0.804 401 E CB 1.508 31.243 29.700 0.058 0.000 1.090 401 E HN 0.830 nan 8.360 nan 0.000 0.401 402 V N -0.341 119.657 119.914 0.141 0.000 3.159 402 V HA 0.571 4.691 4.120 -0.000 0.000 0.308 402 V C 0.239 176.260 176.094 -0.122 0.000 1.190 402 V CA -1.173 61.117 62.300 -0.017 0.000 1.037 402 V CB 1.599 33.383 31.823 -0.065 0.000 1.060 402 V HN 0.567 nan 8.190 nan 0.000 0.437 403 T N -0.462 113.882 114.554 -0.350 0.000 2.754 403 T HA 0.480 4.830 4.350 -0.000 0.000 0.286 403 T C 1.452 176.052 174.700 -0.165 0.000 0.997 403 T CA 0.217 62.161 62.100 -0.260 0.000 0.982 403 T CB 0.895 69.542 68.868 -0.368 0.000 1.027 403 T HN 1.540 nan 8.240 nan 0.000 0.529 404 G N 0.680 109.406 108.800 -0.123 0.000 2.450 404 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.220 404 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.220 404 G C 1.264 176.112 174.900 -0.087 0.000 1.130 404 G CA 0.977 46.025 45.100 -0.087 0.000 0.760 404 G HN 0.947 nan 8.290 nan 0.000 0.557 405 D N 0.903 121.236 120.400 -0.112 0.000 2.144 405 D HA -0.117 4.523 4.640 -0.000 0.000 0.199 405 D C 2.403 178.655 176.300 -0.080 0.000 0.984 405 D CA 0.683 54.626 54.000 -0.096 0.000 0.834 405 D CB -0.570 40.161 40.800 -0.115 0.000 0.955 405 D HN 0.415 nan 8.370 nan 0.000 0.465 406 L N 0.340 121.504 121.223 -0.098 0.000 2.127 406 L HA 0.117 4.457 4.340 -0.000 0.000 0.203 406 L C 2.884 179.727 176.870 -0.046 0.000 1.080 406 L CA 0.767 55.566 54.840 -0.069 0.000 0.768 406 L CB -0.459 41.544 42.059 -0.093 0.000 0.924 406 L HN 0.022 nan 8.230 nan 0.000 0.444 407 A N 0.520 123.307 122.820 -0.055 0.000 1.978 407 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 407 A C 2.458 180.026 177.584 -0.027 0.000 1.170 407 A CA 1.734 53.751 52.037 -0.034 0.000 0.636 407 A CB -0.602 18.376 19.000 -0.036 0.000 0.810 407 A HN 0.396 nan 8.150 nan 0.000 0.448 408 A N -0.487 122.313 122.820 -0.033 0.000 2.125 408 A HA 0.068 4.388 4.320 -0.000 0.000 0.219 408 A C 1.925 179.497 177.584 -0.020 0.000 1.156 408 A CA 1.221 53.241 52.037 -0.027 0.000 0.671 408 A CB -0.479 18.501 19.000 -0.033 0.000 0.794 408 A HN 0.499 nan 8.150 nan 0.000 0.459 409 L N -1.963 119.250 121.223 -0.016 0.000 2.492 409 L HA 0.149 4.489 4.340 -0.000 0.000 0.223 409 L C 1.035 177.902 176.870 -0.004 0.000 1.132 409 L CA 0.238 55.073 54.840 -0.008 0.000 0.850 409 L CB -0.161 41.898 42.059 0.000 0.000 0.966 409 L HN 0.177 nan 8.230 nan 0.000 0.454 410 R N -0.451 120.047 120.500 -0.004 0.000 2.837 410 R HA 0.578 4.918 4.340 -0.000 0.000 0.271 410 R C -0.422 175.876 176.300 -0.004 0.000 0.993 410 R CA -0.467 55.633 56.100 -0.000 0.000 0.931 410 R CB 1.695 31.999 30.300 0.007 0.000 1.206 410 R HN -0.061 nan 8.270 nan 0.000 0.474 411 G N 0.602 109.400 108.800 -0.003 0.000 2.372 411 G HA2 0.370 4.330 3.960 -0.000 0.000 0.283 411 G HA3 0.370 4.330 3.960 -0.000 0.000 0.283 411 G C -0.833 174.066 174.900 -0.002 0.000 1.177 411 G CA -0.063 45.034 45.100 -0.004 0.000 0.842 411 G HN 0.796 nan 8.290 nan 0.000 0.503 412 D N -0.861 119.537 120.400 -0.003 0.000 2.746 412 D HA -0.179 4.461 4.640 -0.000 0.000 0.236 412 D C -0.148 176.152 176.300 -0.000 0.000 1.129 412 D CA 0.809 54.808 54.000 -0.002 0.000 0.691 412 D CB -0.923 39.877 40.800 -0.001 0.000 1.077 412 D HN 0.320 nan 8.370 nan 0.000 0.432 413 V N 0.840 120.753 119.914 -0.002 0.000 2.444 413 V HA 0.523 4.643 4.120 -0.000 0.000 0.294 413 V C -1.766 174.325 176.094 -0.005 0.000 1.022 413 V CA -1.425 60.874 62.300 -0.001 0.000 0.850 413 V CB 1.850 33.673 31.823 -0.000 0.000 0.992 413 V HN 0.007 nan 8.190 nan 0.000 0.426 414 P HA 0.402 nan 4.420 nan 0.000 0.271 414 P C -0.694 176.602 177.300 -0.006 0.000 1.218 414 P CA -0.164 62.934 63.100 -0.003 0.000 0.780 414 P CB 0.806 32.507 31.700 0.002 0.000 0.901 415 A N 3.585 126.397 122.820 -0.012 0.000 2.249 415 A HA 0.499 4.819 4.320 -0.000 0.000 0.314 415 A C -0.098 177.480 177.584 -0.011 0.000 1.290 415 A CA -0.700 51.324 52.037 -0.022 0.000 0.893 415 A CB -0.132 18.849 19.000 -0.033 0.000 1.165 415 A HN 0.504 nan 8.150 nan 0.000 0.530 416 L N 2.480 123.703 121.223 0.001 0.000 2.375 416 L HA 0.369 4.709 4.340 -0.000 0.000 0.271 416 L C 1.243 178.120 176.870 0.011 0.000 1.107 416 L CA -0.498 54.359 54.840 0.028 0.000 0.806 416 L CB 1.461 43.580 42.059 0.099 0.000 1.146 416 L HN 0.892 nan 8.230 nan 0.000 0.447 417 S N 0.250 115.961 115.700 0.019 0.000 2.608 417 S HA 0.090 4.560 4.470 -0.000 0.000 0.261 417 S C 1.096 175.717 174.600 0.036 0.000 1.314 417 S CA -0.319 57.886 58.200 0.008 0.000 0.992 417 S CB 1.068 64.272 63.200 0.007 0.000 0.935 417 S HN 0.656 nan 8.310 nan 0.000 0.564 418 T N 1.642 116.206 114.554 0.017 0.000 2.684 418 T HA -0.140 4.210 4.350 -0.000 0.000 0.267 418 T C 2.122 176.876 174.700 0.089 0.000 1.036 418 T CA 2.192 64.321 62.100 0.048 0.000 1.148 418 T CB -1.232 67.645 68.868 0.015 0.000 0.863 418 T HN 0.952 nan 8.240 nan 0.000 0.436 419 T N 0.811 115.392 114.554 0.045 0.000 2.857 419 T HA -0.003 4.347 4.350 -0.000 0.000 0.266 419 T C 1.773 176.488 174.700 0.025 0.000 1.048 419 T CA 1.009 63.126 62.100 0.028 0.000 1.139 419 T CB -0.319 68.553 68.868 0.007 0.000 0.874 419 T HN 0.446 nan 8.240 nan 0.000 0.455 420 E N 0.326 120.549 120.200 0.039 0.000 2.106 420 E HA 0.011 4.361 4.350 -0.000 0.000 0.192 420 E C 1.697 178.323 176.600 0.044 0.000 0.984 420 E CA 0.921 57.338 56.400 0.028 0.000 0.806 420 E CB -0.303 29.417 29.700 0.033 0.000 0.750 420 E HN 0.538 nan 8.360 nan 0.000 0.458 421 F N 1.617 121.533 119.950 -0.057 0.000 2.102 421 F HA -0.212 4.315 4.527 -0.000 0.000 0.298 421 F C 2.290 178.042 175.800 -0.080 0.000 1.105 421 F CA 1.664 59.623 58.000 -0.068 0.000 1.239 421 F CB -0.520 38.440 39.000 -0.066 0.000 0.991 421 F HN -0.120 nan 8.300 nan 0.000 0.474 422 T N 0.708 115.221 114.554 -0.068 0.000 2.684 422 T HA -0.215 4.135 4.350 -0.000 0.000 0.267 422 T C 2.206 176.766 174.700 -0.233 0.000 1.036 422 T CA 1.595 63.593 62.100 -0.172 0.000 1.148 422 T CB -0.917 67.932 68.868 -0.031 0.000 0.863 422 T HN 0.383 nan 8.240 nan 0.000 0.436 423 A N 1.337 124.064 122.820 -0.155 0.000 1.933 423 A HA 0.134 4.454 4.320 -0.000 0.000 0.218 423 A C 2.629 180.082 177.584 -0.218 0.000 1.175 423 A CA 1.865 53.811 52.037 -0.152 0.000 0.628 423 A CB -1.044 17.902 19.000 -0.089 0.000 0.814 423 A HN 0.520 nan 8.150 nan 0.000 0.444 424 A N -0.567 122.103 122.820 -0.249 0.000 1.930 424 A HA -0.008 4.312 4.320 -0.000 0.000 0.217 424 A C 2.201 179.557 177.584 -0.380 0.000 1.175 424 A CA 1.447 53.324 52.037 -0.266 0.000 0.627 424 A CB -0.546 18.316 19.000 -0.229 0.000 0.815 424 A HN 0.555 nan 8.150 nan 0.000 0.443 425 L N -0.467 120.431 121.223 -0.541 0.000 2.005 425 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 425 L C 2.386 178.825 176.870 -0.718 0.000 1.072 425 L CA 1.519 55.996 54.840 -0.606 0.000 0.744 425 L CB -0.231 41.427 42.059 -0.668 0.000 0.895 425 L HN 0.413 nan 8.230 nan 0.000 0.433 426 I N -0.019 120.167 120.570 -0.640 0.000 2.286 426 I HA -0.308 3.862 4.170 -0.000 0.000 0.248 426 I C 2.610 178.395 176.117 -0.552 0.000 1.115 426 I CA 1.472 62.323 61.300 -0.748 0.000 1.392 426 I CB -0.379 37.455 38.000 -0.277 0.000 1.065 426 I HN 0.376 nan 8.210 nan 0.000 0.418 427 R N 1.428 121.721 120.500 -0.345 0.000 2.293 427 R HA -0.114 4.226 4.340 -0.000 0.000 0.219 427 R C 1.867 178.041 176.300 -0.209 0.000 1.091 427 R CA 1.052 57.026 56.100 -0.210 0.000 1.004 427 R CB -0.424 29.787 30.300 -0.149 0.000 0.865 427 R HN 0.312 nan 8.270 nan 0.000 0.469 428 R N 0.048 120.350 120.500 -0.330 0.000 2.299 428 R HA 0.160 4.500 4.340 -0.000 0.000 0.197 428 R C 0.196 176.435 176.300 -0.101 0.000 0.971 428 R CA 0.044 56.011 56.100 -0.222 0.000 1.030 428 R CB -0.020 30.151 30.300 -0.216 0.000 0.932 428 R HN 0.131 nan 8.270 nan 0.000 0.477 429 F N 0.000 119.914 119.950 -0.059 0.000 2.286 429 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 429 F CA 0.000 57.966 58.000 -0.056 0.000 1.383 429 F CB 0.000 38.965 39.000 -0.059 0.000 1.145 429 F HN 0.000 nan 8.300 nan 0.000 0.574