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_B 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 0.000 174.369 174.700 -0.551 0.000 1.109 3 T CA 0.000 61.951 62.100 -0.248 0.000 1.349 3 T CB 0.000 68.835 68.868 -0.054 0.000 0.612 4 H N 2.388 121.377 119.070 -0.136 0.000 2.750 4 H HA 0.475 5.030 4.556 -0.001 0.000 0.252 4 H C 0.445 175.837 175.328 0.107 0.000 1.176 4 H CA -0.163 55.766 56.048 -0.199 0.000 0.987 4 H CB 0.361 29.703 29.762 -0.700 0.000 1.810 4 H HN 0.636 nan 8.280 nan 0.000 0.630 5 I N -1.348 119.362 120.570 0.233 0.000 2.957 5 I HA 0.585 4.754 4.170 -0.001 0.000 0.310 5 I C -1.342 174.859 176.117 0.140 0.000 1.063 5 I CA -1.286 60.167 61.300 0.255 0.000 1.033 5 I CB 2.432 40.582 38.000 0.249 0.000 1.230 5 I HN -0.070 nan 8.210 nan 0.000 0.447 6 Q N 3.085 122.953 119.800 0.113 0.000 2.285 6 Q HA 0.382 4.721 4.340 -0.001 0.000 0.269 6 Q C -1.206 174.829 176.000 0.058 0.000 1.030 6 Q CA -0.887 54.965 55.803 0.081 0.000 0.788 6 Q CB 2.707 31.491 28.738 0.077 0.000 1.266 6 Q HN 0.529 nan 8.270 nan 0.000 0.438 7 K N 3.286 123.725 120.400 0.065 0.000 2.416 7 K HA 0.174 4.494 4.320 -0.001 0.000 0.283 7 K C -2.059 174.559 176.600 0.030 0.000 1.037 7 K CA -1.240 55.075 56.287 0.048 0.000 0.995 7 K CB 0.304 32.870 32.500 0.110 0.000 0.938 7 K HN 0.343 nan 8.250 nan 0.000 0.475 8 P HA -0.058 nan 4.420 nan 0.000 0.267 8 P C -0.262 177.056 177.300 0.029 0.000 1.201 8 P CA 0.018 63.130 63.100 0.021 0.000 0.775 8 P CB 0.788 32.489 31.700 0.001 0.000 0.854 9 A N 2.023 124.865 122.820 0.036 0.000 1.929 9 A HA -0.080 4.240 4.320 -0.001 0.000 0.216 9 A C 1.618 179.220 177.584 0.030 0.000 1.176 9 A CA 1.987 54.044 52.037 0.035 0.000 0.628 9 A CB -1.267 17.755 19.000 0.036 0.000 0.816 9 A HN 0.633 nan 8.150 nan 0.000 0.444 10 T N -3.390 111.179 114.554 0.027 0.000 3.054 10 T HA 0.429 4.779 4.350 -0.001 0.000 0.255 10 T C 0.858 175.567 174.700 0.015 0.000 1.035 10 T CA 0.338 62.451 62.100 0.022 0.000 0.941 10 T CB 0.198 69.080 68.868 0.022 0.000 1.026 10 T HN 0.410 nan 8.240 nan 0.000 0.533 11 G N 0.597 109.403 108.800 0.009 0.000 2.504 11 G HA2 0.554 4.514 3.960 -0.001 0.000 0.288 11 G HA3 0.554 4.514 3.960 -0.001 0.000 0.288 11 G C -0.904 174.008 174.900 0.020 0.000 1.182 11 G CA -0.549 44.550 45.100 -0.003 0.000 0.894 11 G HN 0.291 nan 8.290 nan 0.000 0.521 12 S N 1.117 116.831 115.700 0.022 0.000 2.536 12 S HA 0.638 5.108 4.470 -0.001 0.000 0.287 12 S C -2.630 172.011 174.600 0.068 0.000 1.101 12 S CA -0.791 57.439 58.200 0.049 0.000 0.950 12 S CB 2.576 65.798 63.200 0.035 0.000 1.056 12 S HN 0.467 nan 8.310 nan 0.000 0.481 13 P HA 0.230 nan 4.420 nan 0.000 0.272 13 P C -0.786 176.562 177.300 0.080 0.000 1.230 13 P CA -0.657 62.551 63.100 0.180 0.000 0.788 13 P CB 0.294 32.087 31.700 0.155 0.000 0.949 14 L N 1.859 123.124 121.223 0.070 0.000 2.456 14 L HA 0.264 4.604 4.340 -0.001 0.000 0.272 14 L C 1.412 178.282 176.870 -0.001 0.000 1.189 14 L CA 1.156 56.001 54.840 0.009 0.000 0.846 14 L CB -0.452 41.601 42.059 -0.009 0.000 1.111 14 L HN 0.609 nan 8.230 nan 0.000 0.475 15 T N 0.342 114.890 114.554 -0.011 0.000 2.645 15 T HA 0.838 5.188 4.350 -0.001 0.000 0.273 15 T C -0.381 174.308 174.700 -0.019 0.000 0.960 15 T CA -0.928 61.164 62.100 -0.013 0.000 1.051 15 T CB 1.015 69.881 68.868 -0.005 0.000 1.366 15 T HN 0.281 nan 8.240 nan 0.000 0.536 16 L N -0.072 121.143 121.223 -0.013 0.000 2.327 16 L HA 0.746 5.085 4.340 -0.001 0.000 0.258 16 L C -1.351 175.516 176.870 -0.006 0.000 1.024 16 L CA -1.236 53.597 54.840 -0.011 0.000 0.825 16 L CB 2.378 44.433 42.059 -0.007 0.000 1.386 16 L HN 0.491 nan 8.230 nan 0.000 0.417 17 L N 2.281 123.501 121.223 -0.004 0.000 2.752 17 L HA 0.282 4.621 4.340 -0.001 0.000 0.257 17 L C -0.910 175.960 176.870 -0.000 0.000 0.968 17 L CA -0.067 54.772 54.840 -0.002 0.000 0.953 17 L CB 1.170 43.228 42.059 -0.002 0.000 1.286 17 L HN 0.863 nan 8.230 nan 0.000 0.443 18 N N 2.888 121.589 118.700 0.002 0.000 2.754 18 N HA -0.196 4.544 4.740 -0.001 0.000 0.248 18 N C 0.926 176.440 175.510 0.006 0.000 1.093 18 N CA 1.053 54.106 53.050 0.004 0.000 0.699 18 N CB -0.672 37.817 38.487 0.003 0.000 1.016 18 N HN 1.085 nan 8.380 nan 0.000 0.552 19 G N -2.350 106.454 108.800 0.007 0.000 2.148 19 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.254 19 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.254 19 G C 0.006 174.910 174.900 0.006 0.000 0.981 19 G CA 0.351 45.457 45.100 0.011 0.000 0.670 19 G HN 0.472 nan 8.290 nan 0.000 0.528 20 V N 0.901 120.814 119.914 -0.002 0.000 2.555 20 V HA 0.631 4.751 4.120 -0.001 0.000 0.302 20 V C 0.649 176.729 176.094 -0.024 0.000 1.038 20 V CA -1.094 61.199 62.300 -0.012 0.000 0.887 20 V CB 1.788 33.606 31.823 -0.009 0.000 0.991 20 V HN 0.370 nan 8.190 nan 0.000 0.434 21 L N 4.949 126.145 121.223 -0.045 0.000 2.584 21 L HA 0.152 4.492 4.340 -0.001 0.000 0.272 21 L C 0.123 176.967 176.870 -0.044 0.000 1.195 21 L CA 0.921 55.726 54.840 -0.059 0.000 0.920 21 L CB 0.191 42.183 42.059 -0.112 0.000 1.173 21 L HN 0.612 nan 8.230 nan 0.000 0.489 22 Q N 4.388 124.169 119.800 -0.031 0.000 2.325 22 Q HA 0.455 4.794 4.340 -0.001 0.000 0.262 22 Q C -1.107 174.883 176.000 -0.017 0.000 0.968 22 Q CA -0.404 55.390 55.803 -0.015 0.000 0.877 22 Q CB 1.963 30.697 28.738 -0.007 0.000 1.253 22 Q HN 0.432 nan 8.270 nan 0.000 0.448 23 V N 5.355 125.269 119.914 -0.001 0.000 2.326 23 V HA 0.339 4.459 4.120 -0.001 0.000 0.281 23 V C -1.996 174.141 176.094 0.072 0.000 1.015 23 V CA -1.649 60.650 62.300 -0.002 0.000 0.823 23 V CB 1.262 33.061 31.823 -0.040 0.000 1.009 23 V HN 0.602 nan 8.190 nan 0.000 0.436 24 P HA 0.192 nan 4.420 nan 0.000 0.271 24 P C 0.345 177.738 177.300 0.155 0.000 1.233 24 P CA -0.244 62.898 63.100 0.069 0.000 0.789 24 P CB 0.851 32.575 31.700 0.039 0.000 0.951 25 D N -0.509 119.951 120.400 0.100 0.000 2.269 25 D HA -0.076 4.563 4.640 -0.001 0.000 0.208 25 D C 0.391 176.779 176.300 0.147 0.000 0.963 25 D CA 1.310 55.362 54.000 0.087 0.000 0.864 25 D CB 0.109 40.879 40.800 -0.050 0.000 0.936 25 D HN 0.456 nan 8.370 nan 0.000 0.505 26 Q N 0.740 120.599 119.800 0.098 0.000 2.849 26 Q HA 0.228 4.568 4.340 -0.001 0.000 0.289 26 Q C -2.507 173.499 176.000 0.010 0.000 1.012 26 Q CA -1.627 54.213 55.803 0.062 0.000 0.899 26 Q CB 2.060 30.812 28.738 0.025 0.000 1.235 26 Q HN 0.100 nan 8.270 nan 0.000 0.457 27 P HA 0.097 nan 4.420 nan 0.000 0.275 27 P C -0.177 177.018 177.300 -0.175 0.000 1.227 27 P CA 0.034 63.065 63.100 -0.115 0.000 0.781 27 P CB 1.090 32.636 31.700 -0.256 0.000 0.906 28 I N 3.825 124.314 120.570 -0.137 0.000 2.337 28 I HA 0.199 4.369 4.170 -0.001 0.000 0.291 28 I C 0.300 176.273 176.117 -0.240 0.000 1.046 28 I CA -0.118 61.054 61.300 -0.213 0.000 1.324 28 I CB 0.210 38.050 38.000 -0.266 0.000 1.409 28 I HN 0.070 nan 8.210 nan 0.000 0.494 29 I N 9.083 129.494 120.570 -0.266 0.000 2.437 29 I HA 0.337 4.507 4.170 -0.001 0.000 0.279 29 I C -2.339 173.797 176.117 0.031 0.000 1.028 29 I CA -2.442 58.750 61.300 -0.179 0.000 1.142 29 I CB 1.154 38.922 38.000 -0.386 0.000 1.266 29 I HN 0.159 nan 8.210 nan 0.000 0.461 30 P HA 0.214 nan 4.420 nan 0.000 0.269 30 P C -0.806 176.651 177.300 0.262 0.000 1.209 30 P CA 0.270 63.414 63.100 0.073 0.000 0.776 30 P CB 0.362 32.071 31.700 0.015 0.000 0.876 31 F N 0.495 120.501 119.950 0.092 0.000 2.599 31 F HA 0.754 5.280 4.527 -0.002 0.000 0.311 31 F C -1.433 174.341 175.800 -0.044 0.000 1.076 31 F CA -1.403 56.642 58.000 0.075 0.000 0.937 31 F CB 1.155 40.214 39.000 0.097 0.000 1.282 31 F HN 0.032 nan 8.300 nan 0.000 0.460 32 I N 2.701 123.273 120.570 0.003 0.000 2.436 32 I HA 0.259 4.428 4.170 -0.001 0.000 0.289 32 I C 0.880 177.050 176.117 0.090 0.000 1.010 32 I CA -0.481 60.755 61.300 -0.108 0.000 1.098 32 I CB 2.001 39.971 38.000 -0.050 0.000 1.266 32 I HN 0.973 nan 8.210 nan 0.000 0.434 33 E N 4.983 125.229 120.200 0.077 0.000 2.038 33 E HA 0.009 4.358 4.350 -0.001 0.000 0.195 33 E C 0.782 177.447 176.600 0.108 0.000 1.000 33 E CA 1.162 57.660 56.400 0.162 0.000 0.803 33 E CB 0.144 29.934 29.700 0.151 0.000 0.750 33 E HN 0.910 nan 8.360 nan 0.000 0.448 34 G N 0.689 109.541 108.800 0.087 0.000 2.629 34 G HA2 -0.130 3.830 3.960 -0.001 0.000 0.686 34 G HA3 -0.130 3.830 3.960 -0.001 0.000 0.686 34 G C -1.155 173.794 174.900 0.082 0.000 1.232 34 G CA -0.295 44.852 45.100 0.079 0.000 0.803 34 G HN 0.212 nan 8.290 nan 0.000 0.638 35 D N 0.396 120.842 120.400 0.077 0.000 2.377 35 D HA 0.543 5.183 4.640 -0.001 0.000 0.245 35 D C 1.644 177.983 176.300 0.065 0.000 1.196 35 D CA 1.370 55.413 54.000 0.072 0.000 0.962 35 D CB 0.725 41.567 40.800 0.069 0.000 1.127 35 D HN 1.656 nan 8.370 nan 0.000 0.471 36 G N 0.955 109.787 108.800 0.053 0.000 2.660 36 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.321 36 G HA3 -0.365 3.594 3.960 -0.001 0.000 0.321 36 G C 1.217 176.141 174.900 0.039 0.000 1.246 36 G CA 0.900 46.024 45.100 0.041 0.000 1.000 36 G HN 0.706 nan 8.290 nan 0.000 0.550 37 I N 0.388 120.979 120.570 0.035 0.000 3.241 37 I HA 0.280 4.449 4.170 -0.001 0.000 0.280 37 I C 2.374 178.523 176.117 0.053 0.000 1.320 37 I CA 1.538 62.852 61.300 0.023 0.000 1.413 37 I CB -0.880 37.106 38.000 -0.023 0.000 1.060 37 I HN 0.560 nan 8.210 nan 0.000 0.500 38 G N 2.104 110.951 108.800 0.078 0.000 2.469 38 G HA2 -0.356 3.604 3.960 -0.001 0.000 0.220 38 G HA3 -0.356 3.604 3.960 -0.001 0.000 0.220 38 G C 1.747 176.682 174.900 0.058 0.000 1.136 38 G CA 1.116 46.266 45.100 0.083 0.000 0.759 38 G HN 0.779 nan 8.290 nan 0.000 0.562 39 C N -0.615 118.715 119.300 0.049 0.000 2.437 39 C HA 0.092 4.551 4.460 -0.001 0.000 0.283 39 C C 1.926 176.926 174.990 0.017 0.000 1.424 39 C CA 0.796 59.836 59.018 0.038 0.000 1.782 39 C CB -0.484 27.279 27.740 0.037 0.000 1.833 39 C HN 0.360 nan 8.230 nan 0.000 0.532 40 D N 1.463 121.871 120.400 0.014 0.000 2.369 40 D HA -0.013 4.627 4.640 -0.001 0.000 0.231 40 D C 2.583 178.883 176.300 0.001 0.000 0.967 40 D CA 1.859 55.860 54.000 0.002 0.000 0.905 40 D CB -0.204 40.592 40.800 -0.007 0.000 1.044 40 D HN 0.583 nan 8.370 nan 0.000 0.487 41 V N -0.396 119.529 119.914 0.018 0.000 2.591 41 V HA -0.078 4.041 4.120 -0.001 0.000 0.249 41 V C 2.216 178.307 176.094 -0.004 0.000 1.053 41 V CA 1.500 63.819 62.300 0.031 0.000 1.068 41 V CB -1.019 30.859 31.823 0.092 0.000 0.689 41 V HN -0.023 nan 8.190 nan 0.000 0.462 42 T N 1.414 115.956 114.554 -0.021 0.000 2.737 42 T HA -0.000 4.349 4.350 -0.001 0.000 0.265 42 T C 0.054 174.615 174.700 -0.231 0.000 1.038 42 T CA 2.336 64.374 62.100 -0.104 0.000 1.144 42 T CB -1.158 67.686 68.868 -0.041 0.000 0.866 42 T HN 0.493 nan 8.240 nan 0.000 0.434 43 P HA 0.031 nan 4.420 nan 0.000 0.218 43 P C 1.361 178.558 177.300 -0.173 0.000 1.149 43 P CA 1.050 64.021 63.100 -0.214 0.000 0.817 43 P CB -0.157 31.473 31.700 -0.117 0.000 0.785 44 A N -0.215 122.546 122.820 -0.099 0.000 1.873 44 A HA -0.190 4.129 4.320 -0.001 0.000 0.215 44 A C 2.198 179.745 177.584 -0.063 0.000 1.186 44 A CA 1.806 53.812 52.037 -0.052 0.000 0.616 44 A CB -1.594 17.410 19.000 0.008 0.000 0.823 44 A HN 0.081 nan 8.150 nan 0.000 0.442 45 M N -0.033 119.518 119.600 -0.082 0.000 2.080 45 M HA -0.171 4.308 4.480 -0.001 0.000 0.260 45 M C 2.111 178.326 176.300 -0.141 0.000 1.068 45 M CA 1.821 57.077 55.300 -0.074 0.000 1.109 45 M CB -0.827 31.731 32.600 -0.069 0.000 1.342 45 M HN 0.421 nan 8.290 nan 0.000 0.405 46 R N -0.491 119.794 120.500 -0.358 0.000 2.081 46 R HA -0.091 4.248 4.340 -0.001 0.000 0.235 46 R C 2.290 178.486 176.300 -0.173 0.000 1.131 46 R CA 1.833 57.619 56.100 -0.524 0.000 0.960 46 R CB -0.600 29.081 30.300 -1.032 0.000 0.856 46 R HN 0.445 nan 8.270 nan 0.000 0.436 47 S N 0.552 116.169 115.700 -0.138 0.000 2.370 47 S HA -0.104 4.366 4.470 -0.001 0.000 0.226 47 S C 2.147 176.773 174.600 0.043 0.000 1.033 47 S CA 1.277 59.456 58.200 -0.036 0.000 1.011 47 S CB -0.170 63.007 63.200 -0.038 0.000 0.852 47 S HN 0.081 nan 8.310 nan 0.000 0.457 48 V N 1.160 121.109 119.914 0.057 0.000 2.358 48 V HA -0.099 4.020 4.120 -0.001 0.000 0.246 48 V C 2.293 178.476 176.094 0.147 0.000 1.047 48 V CA 1.248 63.642 62.300 0.158 0.000 1.035 48 V CB -0.599 31.302 31.823 0.130 0.000 0.658 48 V HN 0.318 nan 8.190 nan 0.000 0.452 49 V N 0.171 120.161 119.914 0.126 0.000 2.295 49 V HA -0.251 3.868 4.120 -0.001 0.000 0.246 49 V C 2.285 178.460 176.094 0.135 0.000 1.049 49 V CA 2.233 64.627 62.300 0.156 0.000 1.024 49 V CB -0.647 31.347 31.823 0.285 0.000 0.648 49 V HN 0.549 nan 8.190 nan 0.000 0.447 50 D N 0.265 120.772 120.400 0.178 0.000 2.144 50 D HA -0.120 4.519 4.640 -0.001 0.000 0.199 50 D C 2.182 178.497 176.300 0.025 0.000 0.984 50 D CA 1.588 55.680 54.000 0.153 0.000 0.834 50 D CB -0.306 40.602 40.800 0.180 0.000 0.955 50 D HN 0.445 nan 8.370 nan 0.000 0.465 51 A N 0.801 123.615 122.820 -0.010 0.000 1.898 51 A HA 0.006 4.326 4.320 -0.001 0.000 0.216 51 A C 2.288 179.611 177.584 -0.436 0.000 1.181 51 A CA 2.041 54.027 52.037 -0.085 0.000 0.620 51 A CB -0.651 18.428 19.000 0.131 0.000 0.819 51 A HN 0.230 nan 8.150 nan 0.000 0.442 52 A N -0.571 121.823 122.820 -0.711 0.000 1.873 52 A HA 0.027 4.346 4.320 -0.001 0.000 0.215 52 A C 2.227 179.537 177.584 -0.457 0.000 1.186 52 A CA 1.717 53.162 52.037 -0.987 0.000 0.616 52 A CB -0.928 17.622 19.000 -0.751 0.000 0.823 52 A HN 0.362 nan 8.150 nan 0.000 0.442 53 V N -0.039 119.766 119.914 -0.182 0.000 2.295 53 V HA -0.254 3.865 4.120 -0.001 0.000 0.246 53 V C 3.074 179.126 176.094 -0.070 0.000 1.049 53 V CA 1.952 64.244 62.300 -0.013 0.000 1.024 53 V CB -1.259 30.680 31.823 0.192 0.000 0.648 53 V HN 0.617 nan 8.190 nan 0.000 0.447 54 A N 0.163 122.936 122.820 -0.078 0.000 1.883 54 A HA -0.298 4.021 4.320 -0.001 0.000 0.217 54 A C 2.227 179.741 177.584 -0.117 0.000 1.186 54 A CA 2.503 54.502 52.037 -0.063 0.000 0.624 54 A CB -0.514 18.462 19.000 -0.039 0.000 0.822 54 A HN 0.505 nan 8.150 nan 0.000 0.444 55 K N 0.134 120.419 120.400 -0.191 0.000 1.985 55 K HA -0.114 4.206 4.320 -0.001 0.000 0.210 55 K C 1.877 178.331 176.600 -0.244 0.000 1.047 55 K CA 2.211 58.383 56.287 -0.191 0.000 0.932 55 K CB -0.808 31.566 32.500 -0.210 0.000 0.716 55 K HN 0.510 nan 8.250 nan 0.000 0.439 56 V N -1.271 118.400 119.914 -0.405 0.000 2.626 56 V HA -0.079 4.040 4.120 -0.001 0.000 0.252 56 V C 1.200 176.930 176.094 -0.607 0.000 1.067 56 V CA 1.238 63.207 62.300 -0.552 0.000 1.081 56 V CB -0.840 30.526 31.823 -0.762 0.000 0.686 56 V HN 0.284 nan 8.190 nan 0.000 0.468 57 Y N 1.627 121.814 120.300 -0.188 0.000 2.507 57 Y HA 0.646 5.197 4.550 0.001 0.000 0.254 57 Y C 2.002 177.808 175.900 -0.157 0.000 1.171 57 Y CA -0.699 57.273 58.100 -0.213 0.000 1.238 57 Y CB -0.207 38.049 38.460 -0.340 0.000 1.148 57 Y HN 0.366 nan 8.280 nan 0.000 0.525 58 G N 0.617 109.391 108.800 -0.043 0.000 2.296 58 G HA2 -0.116 3.843 3.960 -0.001 0.000 0.282 58 G HA3 -0.116 3.843 3.960 -0.001 0.000 0.282 58 G C 1.314 176.201 174.900 -0.022 0.000 1.014 58 G CA 0.655 45.733 45.100 -0.036 0.000 0.812 58 G HN 1.179 nan 8.290 nan 0.000 0.508 59 G N -1.794 106.996 108.800 -0.016 0.000 2.195 59 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.246 59 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.246 59 G C 0.970 175.854 174.900 -0.026 0.000 0.984 59 G CA 1.142 46.233 45.100 -0.015 0.000 0.633 59 G HN 0.914 nan 8.290 nan 0.000 0.525 60 Q N -0.429 119.348 119.800 -0.039 0.000 2.297 60 Q HA 0.124 4.464 4.340 -0.001 0.000 0.204 60 Q C 1.411 177.336 176.000 -0.124 0.000 0.962 60 Q CA 0.803 56.563 55.803 -0.073 0.000 0.879 60 Q CB 0.194 28.881 28.738 -0.086 0.000 0.947 60 Q HN 0.587 nan 8.270 nan 0.000 0.462 61 R N 0.060 120.464 120.500 -0.159 0.000 2.807 61 R HA 0.473 4.813 4.340 -0.001 0.000 0.276 61 R C -1.053 175.212 176.300 -0.059 0.000 0.979 61 R CA -0.468 55.492 56.100 -0.233 0.000 0.928 61 R CB 1.848 31.673 30.300 -0.792 0.000 1.191 61 R HN -0.097 nan 8.270 nan 0.000 0.471 62 Q N 2.538 122.377 119.800 0.066 0.000 2.430 62 Q HA 0.232 4.572 4.340 -0.001 0.000 0.253 62 Q C -1.303 174.744 176.000 0.078 0.000 0.945 62 Q CA -0.493 55.369 55.803 0.097 0.000 0.964 62 Q CB 1.502 30.270 28.738 0.050 0.000 1.460 62 Q HN 0.589 nan 8.270 nan 0.000 0.428 63 I N 2.593 123.153 120.570 -0.017 0.000 2.683 63 I HA 0.116 4.285 4.170 -0.001 0.000 0.286 63 I C 0.398 176.277 176.117 -0.396 0.000 1.175 63 I CA 0.259 61.332 61.300 -0.379 0.000 1.429 63 I CB 0.943 38.408 38.000 -0.891 0.000 1.371 63 I HN 0.710 nan 8.210 nan 0.000 0.569 64 A N 7.977 130.600 122.820 -0.328 0.000 2.910 64 A HA 0.294 4.614 4.320 -0.001 0.000 0.316 64 A C -0.673 176.822 177.584 -0.150 0.000 1.493 64 A CA -0.561 51.380 52.037 -0.160 0.000 1.150 64 A CB -0.409 18.538 19.000 -0.088 0.000 1.159 64 A HN 0.700 nan 8.150 nan 0.000 0.526 65 W N 1.572 122.893 121.300 0.036 0.000 2.257 65 W HA 0.319 4.980 4.660 0.002 0.000 0.337 65 W C 0.585 177.195 176.519 0.152 0.000 1.321 65 W CA 0.267 57.684 57.345 0.120 0.000 1.267 65 W CB 0.403 29.913 29.460 0.084 0.000 1.187 65 W HN 0.519 nan 8.180 nan 0.000 0.565 66 M N 3.598 123.420 119.600 0.370 0.000 2.093 66 M HA 0.205 4.684 4.480 -0.001 0.000 0.297 66 M C -0.566 175.627 176.300 -0.179 0.000 0.938 66 M CA -0.520 54.822 55.300 0.070 0.000 0.920 66 M CB 1.086 33.596 32.600 -0.150 0.000 1.517 66 M HN 0.505 nan 8.290 nan 0.000 0.427 67 E N 5.077 125.041 120.200 -0.393 0.000 2.290 67 E HA 0.402 4.752 4.350 -0.001 0.000 0.277 67 E C -1.567 174.523 176.600 -0.851 0.000 1.035 67 E CA -0.219 55.527 56.400 -1.091 0.000 0.873 67 E CB 0.850 29.982 29.700 -0.947 0.000 1.029 67 E HN 0.716 nan 8.360 nan 0.000 0.419 68 L N 3.995 124.686 121.223 -0.887 0.000 2.303 68 L HA 0.562 4.902 4.340 -0.001 0.000 0.266 68 L C -0.696 175.700 176.870 -0.789 0.000 1.011 68 L CA -1.111 53.379 54.840 -0.584 0.000 0.818 68 L CB 1.096 43.016 42.059 -0.231 0.000 1.326 68 L HN 0.551 nan 8.230 nan 0.000 0.435 69 F N 0.375 120.309 119.950 -0.027 0.000 2.532 69 F HA 0.812 5.339 4.527 -0.000 0.000 0.321 69 F C 0.179 175.933 175.800 -0.077 0.000 1.089 69 F CA -0.575 57.411 58.000 -0.022 0.000 0.926 69 F CB 2.092 41.154 39.000 0.103 0.000 1.168 69 F HN 0.467 nan 8.300 nan 0.000 0.459 70 A N 1.307 124.206 122.820 0.132 0.000 2.612 70 A HA 0.824 5.143 4.320 -0.001 0.000 0.293 70 A C -0.108 177.543 177.584 0.110 0.000 1.075 70 A CA -0.209 51.872 52.037 0.073 0.000 0.680 70 A CB 0.981 20.006 19.000 0.041 0.000 1.279 70 A HN 1.822 nan 8.150 nan 0.000 0.411 71 G N 0.239 109.129 108.800 0.149 0.000 2.553 71 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.242 71 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.242 71 G C 0.669 175.667 174.900 0.164 0.000 1.277 71 G CA 0.791 46.017 45.100 0.210 0.000 0.910 71 G HN 1.081 nan 8.290 nan 0.000 0.576 72 Q N -0.279 119.607 119.800 0.143 0.000 2.096 72 Q HA -0.096 4.244 4.340 -0.001 0.000 0.204 72 Q C 2.659 178.678 176.000 0.032 0.000 0.982 72 Q CA 1.809 57.657 55.803 0.075 0.000 0.850 72 Q CB -0.132 28.655 28.738 0.081 0.000 0.901 72 Q HN 0.576 nan 8.270 nan 0.000 0.422 73 K N 0.224 120.672 120.400 0.081 0.000 2.097 73 K HA -0.137 4.183 4.320 -0.001 0.000 0.206 73 K C 1.985 178.618 176.600 0.055 0.000 1.049 73 K CA 1.052 57.397 56.287 0.097 0.000 0.933 73 K CB -0.069 32.561 32.500 0.217 0.000 0.717 73 K HN 0.192 nan 8.250 nan 0.000 0.442 74 A N 0.330 123.199 122.820 0.081 0.000 1.897 74 A HA -0.080 4.240 4.320 -0.001 0.000 0.215 74 A C 2.170 179.735 177.584 -0.031 0.000 1.181 74 A CA 1.210 53.273 52.037 0.044 0.000 0.620 74 A CB -0.445 18.527 19.000 -0.047 0.000 0.821 74 A HN 0.137 nan 8.150 nan 0.000 0.443 75 V N 0.047 119.876 119.914 -0.142 0.000 2.343 75 V HA -0.315 3.804 4.120 -0.001 0.000 0.247 75 V C 2.590 178.599 176.094 -0.142 0.000 1.051 75 V CA 2.328 64.492 62.300 -0.226 0.000 1.036 75 V CB -0.865 30.729 31.823 -0.381 0.000 0.654 75 V HN 0.664 nan 8.190 nan 0.000 0.451 76 Q N -0.824 118.906 119.800 -0.117 0.000 2.230 76 Q HA -0.061 4.278 4.340 -0.001 0.000 0.202 76 Q C 2.164 178.058 176.000 -0.178 0.000 0.963 76 Q CA 1.226 56.958 55.803 -0.118 0.000 0.866 76 Q CB -0.010 28.676 28.738 -0.086 0.000 0.931 76 Q HN 0.585 nan 8.270 nan 0.000 0.452 77 L N -1.389 119.694 121.223 -0.233 0.000 2.221 77 L HA -0.032 4.308 4.340 -0.001 0.000 0.202 77 L C 1.150 177.649 176.870 -0.619 0.000 1.074 77 L CA 0.729 55.283 54.840 -0.476 0.000 0.795 77 L CB 0.233 41.900 42.059 -0.653 0.000 0.960 77 L HN 0.177 nan 8.230 nan 0.000 0.458 78 Y N -0.079 119.966 120.300 -0.425 0.000 2.497 78 Y HA 0.445 4.994 4.550 -0.001 0.000 0.265 78 Y C 1.056 176.868 175.900 -0.147 0.000 1.111 78 Y CA 0.332 58.274 58.100 -0.263 0.000 1.288 78 Y CB 0.469 38.854 38.460 -0.125 0.000 1.082 78 Y HN 0.199 nan 8.280 nan 0.000 0.536 79 G N 0.803 109.591 108.800 -0.021 0.000 2.406 79 G HA2 -0.088 3.872 3.960 -0.001 0.000 0.680 79 G HA3 -0.088 3.872 3.960 -0.001 0.000 0.680 79 G C -0.929 173.920 174.900 -0.086 0.000 1.338 79 G CA -0.744 44.331 45.100 -0.042 0.000 0.941 79 G HN 0.216 nan 8.290 nan 0.000 0.633 80 E N -0.029 120.123 120.200 -0.080 0.000 2.442 80 E HA 0.403 4.753 4.350 -0.001 0.000 0.262 80 E C 1.379 177.917 176.600 -0.105 0.000 1.004 80 E CA 0.682 57.019 56.400 -0.105 0.000 0.928 80 E CB 0.618 30.287 29.700 -0.051 0.000 0.937 80 E HN 2.555 nan 8.360 nan 0.000 0.446 81 G N 3.154 111.852 108.800 -0.170 0.000 2.267 81 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.257 81 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.257 81 G C 0.460 175.305 174.900 -0.092 0.000 0.998 81 G CA 0.407 45.477 45.100 -0.050 0.000 0.620 81 G HN 0.528 nan 8.290 nan 0.000 0.529 82 Q N 0.597 120.275 119.800 -0.204 0.000 3.179 82 Q HA 0.506 4.846 4.340 -0.001 0.000 0.328 82 Q C 1.054 176.920 176.000 -0.223 0.000 1.336 82 Q CA -0.226 55.487 55.803 -0.151 0.000 0.939 82 Q CB -0.789 27.898 28.738 -0.085 0.000 1.658 82 Q HN 0.709 nan 8.270 nan 0.000 0.486 83 Y N -0.394 119.873 120.300 -0.055 0.000 2.373 83 Y HA -0.048 4.502 4.550 -0.001 0.000 0.293 83 Y C 0.775 176.629 175.900 -0.076 0.000 1.129 83 Y CA 0.413 58.483 58.100 -0.051 0.000 1.226 83 Y CB 0.623 39.065 38.460 -0.029 0.000 1.000 83 Y HN 0.215 nan 8.280 nan 0.000 0.549 84 L N 1.273 122.523 121.223 0.044 0.000 2.489 84 L HA 0.493 4.832 4.340 -0.001 0.000 0.257 84 L C -2.921 173.893 176.870 -0.093 0.000 1.215 84 L CA -2.375 52.451 54.840 -0.024 0.000 0.915 84 L CB 0.504 42.573 42.059 0.016 0.000 1.146 84 L HN -0.261 nan 8.230 nan 0.000 0.494 85 P HA 0.149 nan 4.420 nan 0.000 0.266 85 P C 0.156 177.401 177.300 -0.092 0.000 1.195 85 P CA 0.017 62.960 63.100 -0.262 0.000 0.768 85 P CB 0.769 32.048 31.700 -0.702 0.000 0.838 86 D N 1.648 122.033 120.400 -0.025 0.000 2.158 86 D HA -0.210 4.430 4.640 -0.001 0.000 0.197 86 D C 1.588 177.906 176.300 0.030 0.000 0.995 86 D CA 1.395 55.401 54.000 0.009 0.000 0.846 86 D CB -0.249 40.566 40.800 0.025 0.000 0.941 86 D HN 0.680 nan 8.370 nan 0.000 0.456 87 E N 0.175 120.412 120.200 0.061 0.000 2.204 87 E HA -0.151 4.199 4.350 -0.001 0.000 0.195 87 E C 1.483 178.142 176.600 0.098 0.000 0.990 87 E CA 1.299 57.762 56.400 0.106 0.000 0.821 87 E CB -0.077 29.737 29.700 0.190 0.000 0.750 87 E HN 0.062 nan 8.360 nan 0.000 0.477 88 T N 1.018 115.606 114.554 0.057 0.000 2.701 88 T HA -0.113 4.237 4.350 -0.001 0.000 0.263 88 T C 1.752 176.479 174.700 0.045 0.000 1.040 88 T CA 1.599 63.726 62.100 0.046 0.000 1.147 88 T CB -0.065 68.801 68.868 -0.003 0.000 0.865 88 T HN 0.182 nan 8.240 nan 0.000 0.426 89 M N 1.218 120.834 119.600 0.027 0.000 2.175 89 M HA 0.130 4.609 4.480 -0.001 0.000 0.264 89 M C 2.761 179.081 176.300 0.033 0.000 1.063 89 M CA 1.042 56.356 55.300 0.023 0.000 1.119 89 M CB -1.642 30.960 32.600 0.004 0.000 1.377 89 M HN 0.294 nan 8.290 nan 0.000 0.415 90 A N 0.269 123.111 122.820 0.037 0.000 1.933 90 A HA 0.013 4.332 4.320 -0.001 0.000 0.218 90 A C 2.458 180.074 177.584 0.053 0.000 1.175 90 A CA 2.055 54.112 52.037 0.033 0.000 0.628 90 A CB -0.861 18.159 19.000 0.034 0.000 0.814 90 A HN 0.468 nan 8.150 nan 0.000 0.444 91 A N -0.040 122.842 122.820 0.104 0.000 1.902 91 A HA -0.060 4.260 4.320 -0.001 0.000 0.217 91 A C 2.101 179.832 177.584 0.245 0.000 1.181 91 A CA 1.480 53.637 52.037 0.201 0.000 0.623 91 A CB -0.565 18.584 19.000 0.248 0.000 0.818 91 A HN 0.497 nan 8.150 nan 0.000 0.443 92 I N -1.097 119.578 120.570 0.175 0.000 2.315 92 I HA -0.232 3.937 4.170 -0.001 0.000 0.248 92 I C 2.740 178.991 176.117 0.223 0.000 1.117 92 I CA 1.083 62.496 61.300 0.189 0.000 1.404 92 I CB -0.345 37.729 38.000 0.123 0.000 1.071 92 I HN 0.295 nan 8.210 nan 0.000 0.419 93 R N 0.464 121.048 120.500 0.140 0.000 2.096 93 R HA -0.211 4.128 4.340 -0.001 0.000 0.235 93 R C 2.203 178.621 176.300 0.197 0.000 1.127 93 R CA 1.521 57.709 56.100 0.147 0.000 0.968 93 R CB -0.219 30.083 30.300 0.003 0.000 0.861 93 R HN 0.433 nan 8.270 nan 0.000 0.440 94 E N -0.418 119.783 120.200 0.002 0.000 2.107 94 E HA -0.149 4.201 4.350 -0.001 0.000 0.191 94 E C 0.951 177.353 176.600 -0.331 0.000 0.982 94 E CA 0.976 57.236 56.400 -0.233 0.000 0.809 94 E CB 0.149 29.556 29.700 -0.488 0.000 0.756 94 E HN 0.410 nan 8.360 nan 0.000 0.459 95 Y N -0.192 120.140 120.300 0.053 0.000 2.462 95 Y HA 0.203 4.752 4.550 -0.002 0.000 0.261 95 Y C 1.109 176.992 175.900 -0.029 0.000 1.146 95 Y CA 0.209 58.316 58.100 0.011 0.000 1.283 95 Y CB 0.592 39.062 38.460 0.016 0.000 1.090 95 Y HN -0.068 nan 8.280 nan 0.000 0.526 96 K N -0.855 119.572 120.400 0.045 0.000 3.495 96 K HA -0.206 4.113 4.320 -0.001 0.000 0.288 96 K C -0.203 176.371 176.600 -0.044 0.000 0.908 96 K CA 1.287 57.444 56.287 -0.217 0.000 1.231 96 K CB -1.775 30.554 32.500 -0.284 0.000 1.399 96 K HN 0.211 nan 8.250 nan 0.000 0.465 97 V N -3.365 116.592 119.914 0.073 0.000 2.808 97 V HA 0.909 5.029 4.120 -0.001 0.000 0.308 97 V C -0.864 175.314 176.094 0.139 0.000 1.099 97 V CA -0.136 62.230 62.300 0.110 0.000 0.920 97 V CB 2.208 34.120 31.823 0.149 0.000 1.014 97 V HN 0.312 nan 8.190 nan 0.000 0.425 98 A N 4.527 127.450 122.820 0.172 0.000 2.594 98 A HA 0.970 5.289 4.320 -0.001 0.000 0.291 98 A C -1.421 176.320 177.584 0.261 0.000 1.105 98 A CA -0.619 51.532 52.037 0.190 0.000 0.694 98 A CB 1.985 21.064 19.000 0.132 0.000 1.291 98 A HN 1.852 nan 8.150 nan 0.000 0.410 99 I N 0.478 121.215 120.570 0.278 0.000 2.582 99 I HA 0.617 4.787 4.170 -0.001 0.000 0.292 99 I C -0.825 175.417 176.117 0.209 0.000 1.066 99 I CA -0.532 60.932 61.300 0.274 0.000 1.053 99 I CB 1.831 40.015 38.000 0.307 0.000 1.241 99 I HN 0.809 nan 8.210 nan 0.000 0.421 100 K N 5.604 126.085 120.400 0.135 0.000 2.435 100 K HA 0.792 5.111 4.320 -0.001 0.000 0.251 100 K C -0.422 176.216 176.600 0.063 0.000 0.954 100 K CA -0.885 55.459 56.287 0.095 0.000 0.820 100 K CB 1.966 34.496 32.500 0.051 0.000 1.292 100 K HN 0.571 nan 8.250 nan 0.000 0.436 101 G N 1.251 110.091 108.800 0.067 0.000 2.563 101 G HA2 0.414 4.373 3.960 -0.001 0.000 0.283 101 G HA3 0.414 4.373 3.960 -0.001 0.000 0.283 101 G C -2.417 172.498 174.900 0.025 0.000 1.309 101 G CA -1.450 43.681 45.100 0.052 0.000 1.022 101 G HN 0.481 nan 8.290 nan 0.000 0.501 102 P HA 0.293 nan 4.420 nan 0.000 0.272 102 P C -0.645 176.681 177.300 0.042 0.000 1.230 102 P CA -0.045 63.069 63.100 0.024 0.000 0.788 102 P CB 0.952 32.703 31.700 0.085 0.000 0.949 103 L N 0.511 121.752 121.223 0.031 0.000 2.381 103 L HA 0.394 4.734 4.340 -0.001 0.000 0.268 103 L C 0.617 177.502 176.870 0.024 0.000 0.997 103 L CA -0.893 53.969 54.840 0.036 0.000 0.818 103 L CB 2.177 44.253 42.059 0.029 0.000 1.310 103 L HN 0.359 nan 8.230 nan 0.000 0.416 104 E N 1.430 121.645 120.200 0.026 0.000 2.316 104 E HA 0.223 4.573 4.350 -0.001 0.000 0.275 104 E C -1.143 175.437 176.600 -0.034 0.000 1.029 104 E CA -0.127 56.277 56.400 0.006 0.000 0.871 104 E CB 0.953 30.665 29.700 0.019 0.000 1.022 104 E HN 0.479 nan 8.360 nan 0.000 0.418 105 T N 6.849 121.379 114.554 -0.041 0.000 2.815 105 T HA 0.343 4.693 4.350 -0.001 0.000 0.289 105 T C -2.343 172.316 174.700 -0.068 0.000 1.000 105 T CA -1.318 60.739 62.100 -0.072 0.000 0.958 105 T CB 1.384 70.217 68.868 -0.060 0.000 0.944 105 T HN 0.436 nan 8.240 nan 0.000 0.442 106 P HA 0.331 nan 4.420 nan 0.000 0.272 106 P C -0.775 176.487 177.300 -0.064 0.000 1.230 106 P CA -0.481 62.577 63.100 -0.069 0.000 0.788 106 P CB 0.533 32.184 31.700 -0.081 0.000 0.949 107 V N 1.155 121.040 119.914 -0.049 0.000 2.427 107 V HA 0.518 4.637 4.120 -0.001 0.000 0.286 107 V C 1.282 177.349 176.094 -0.044 0.000 1.034 107 V CA 0.736 63.008 62.300 -0.047 0.000 0.893 107 V CB 0.457 32.259 31.823 -0.036 0.000 0.982 107 V HN 0.994 nan 8.190 nan 0.000 0.452 108 G N 3.332 112.103 108.800 -0.048 0.000 2.179 108 G HA2 0.031 3.991 3.960 -0.001 0.000 0.260 108 G HA3 0.031 3.991 3.960 -0.001 0.000 0.260 108 G C 0.559 175.434 174.900 -0.041 0.000 0.977 108 G CA 0.139 45.215 45.100 -0.041 0.000 0.641 108 G HN 1.817 nan 8.290 nan 0.000 0.533 109 G N -2.292 106.477 108.800 -0.051 0.000 2.356 109 G HA2 0.692 4.652 3.960 -0.001 0.000 0.281 109 G HA3 0.692 4.652 3.960 -0.001 0.000 0.281 109 G C 0.947 175.807 174.900 -0.065 0.000 1.246 109 G CA 1.304 46.374 45.100 -0.051 0.000 0.889 109 G HN 2.398 nan 8.290 nan 0.000 0.486 110 G N -0.868 107.895 108.800 -0.061 0.000 2.698 110 G HA2 0.223 4.183 3.960 -0.001 0.000 0.233 110 G HA3 0.223 4.183 3.960 -0.001 0.000 0.233 110 G C 0.603 175.432 174.900 -0.118 0.000 1.352 110 G CA 0.451 45.500 45.100 -0.085 0.000 0.879 110 G HN 2.179 nan 8.290 nan 0.000 0.567 111 I N -1.286 119.171 120.570 -0.190 0.000 2.892 111 I HA 0.497 4.667 4.170 -0.001 0.000 0.287 111 I C 0.941 176.958 176.117 -0.167 0.000 1.205 111 I CA -0.653 60.520 61.300 -0.213 0.000 1.409 111 I CB 0.397 38.153 38.000 -0.407 0.000 1.367 111 I HN 0.506 nan 8.210 nan 0.000 0.597 112 R N 3.452 123.874 120.500 -0.130 0.000 2.643 112 R HA 0.095 4.435 4.340 -0.001 0.000 0.270 112 R C 0.241 176.477 176.300 -0.107 0.000 1.061 112 R CA -0.210 55.824 56.100 -0.110 0.000 1.107 112 R CB 0.660 30.908 30.300 -0.087 0.000 0.999 112 R HN 0.872 nan 8.270 nan 0.000 0.460 113 S N 2.231 117.878 115.700 -0.089 0.000 2.626 113 S HA -0.051 4.419 4.470 -0.001 0.000 0.303 113 S C 1.743 176.318 174.600 -0.042 0.000 1.256 113 S CA -0.285 57.877 58.200 -0.063 0.000 1.069 113 S CB 0.161 63.340 63.200 -0.035 0.000 0.807 113 S HN 0.493 nan 8.310 nan 0.000 0.500 114 L N 4.748 125.947 121.223 -0.040 0.000 2.217 114 L HA -0.061 4.279 4.340 -0.001 0.000 0.211 114 L C 2.236 179.103 176.870 -0.004 0.000 1.107 114 L CA 0.564 55.394 54.840 -0.017 0.000 0.783 114 L CB -0.565 41.493 42.059 -0.001 0.000 0.919 114 L HN 0.610 nan 8.230 nan 0.000 0.442 115 N N 0.214 118.914 118.700 -0.000 0.000 2.106 115 N HA -0.131 4.608 4.740 -0.001 0.000 0.188 115 N C 1.940 177.457 175.510 0.012 0.000 1.029 115 N CA 1.270 54.322 53.050 0.005 0.000 0.848 115 N CB -0.389 38.104 38.487 0.011 0.000 1.007 115 N HN 0.143 nan 8.380 nan 0.000 0.423 116 V N 1.885 121.818 119.914 0.033 0.000 2.427 116 V HA -0.135 3.985 4.120 -0.001 0.000 0.248 116 V C 2.519 178.626 176.094 0.022 0.000 1.051 116 V CA 1.615 63.946 62.300 0.052 0.000 1.048 116 V CB -0.936 30.945 31.823 0.097 0.000 0.666 116 V HN 0.276 nan 8.190 nan 0.000 0.456 117 A N -0.462 122.362 122.820 0.006 0.000 1.933 117 A HA -0.239 4.080 4.320 -0.001 0.000 0.218 117 A C 2.243 179.825 177.584 -0.004 0.000 1.175 117 A CA 2.202 54.238 52.037 -0.002 0.000 0.628 117 A CB -0.456 18.539 19.000 -0.009 0.000 0.814 117 A HN 0.504 nan 8.150 nan 0.000 0.444 118 M N -1.252 118.344 119.600 -0.006 0.000 2.132 118 M HA -0.133 4.346 4.480 -0.001 0.000 0.263 118 M C 2.377 178.666 176.300 -0.017 0.000 1.065 118 M CA 1.507 56.800 55.300 -0.011 0.000 1.122 118 M CB -0.337 32.256 32.600 -0.012 0.000 1.365 118 M HN 0.346 nan 8.290 nan 0.000 0.411 119 R N 0.118 120.608 120.500 -0.017 0.000 2.091 119 R HA -0.176 4.164 4.340 -0.001 0.000 0.238 119 R C 2.212 178.510 176.300 -0.004 0.000 1.136 119 R CA 1.553 57.641 56.100 -0.021 0.000 0.959 119 R CB -0.390 29.897 30.300 -0.021 0.000 0.856 119 R HN 0.537 nan 8.270 nan 0.000 0.437 120 Q N 0.159 119.961 119.800 0.004 0.000 2.049 120 Q HA -0.177 4.162 4.340 -0.001 0.000 0.198 120 Q C 1.748 177.746 176.000 -0.002 0.000 0.971 120 Q CA 1.562 57.371 55.803 0.009 0.000 0.833 120 Q CB -0.133 28.611 28.738 0.010 0.000 0.896 120 Q HN 0.266 nan 8.270 nan 0.000 0.434 121 D N 0.627 121.021 120.400 -0.010 0.000 2.123 121 D HA -0.152 4.487 4.640 -0.001 0.000 0.196 121 D C 1.327 177.604 176.300 -0.038 0.000 0.992 121 D CA 1.059 55.046 54.000 -0.021 0.000 0.833 121 D CB 0.035 40.823 40.800 -0.020 0.000 0.954 121 D HN 0.145 nan 8.370 nan 0.000 0.455 122 L N -0.603 120.594 121.223 -0.044 0.000 2.628 122 L HA 0.142 4.482 4.340 -0.001 0.000 0.229 122 L C 0.189 177.036 176.870 -0.039 0.000 1.137 122 L CA -0.010 54.782 54.840 -0.079 0.000 0.909 122 L CB 0.004 42.011 42.059 -0.087 0.000 1.137 122 L HN -0.012 nan 8.230 nan 0.000 0.470 123 D N 1.269 121.670 120.400 0.002 0.000 2.689 123 D HA -0.206 4.434 4.640 -0.001 0.000 0.237 123 D C -0.069 176.301 176.300 0.117 0.000 1.148 123 D CA 0.603 54.641 54.000 0.063 0.000 0.656 123 D CB -0.940 39.899 40.800 0.065 0.000 1.050 123 D HN 0.209 nan 8.370 nan 0.000 0.426 124 L N 1.491 122.736 121.223 0.037 0.000 2.395 124 L HA 0.125 4.464 4.340 -0.001 0.000 0.268 124 L C 1.613 178.463 176.870 -0.033 0.000 1.223 124 L CA -0.605 54.214 54.840 -0.036 0.000 1.093 124 L CB -0.537 41.467 42.059 -0.093 0.000 1.349 124 L HN 0.252 nan 8.230 nan 0.000 0.427 125 Y N 0.630 120.920 120.300 -0.016 0.000 2.561 125 Y HA 0.208 4.757 4.550 -0.001 0.000 0.291 125 Y C 0.537 176.439 175.900 0.003 0.000 1.141 125 Y CA -0.461 57.636 58.100 -0.005 0.000 1.303 125 Y CB -0.231 38.239 38.460 0.017 0.000 1.015 125 Y HN 0.138 nan 8.280 nan 0.000 0.547 126 V N 2.241 121.913 119.914 -0.405 0.000 2.370 126 V HA 0.172 4.291 4.120 -0.001 0.000 0.279 126 V C -0.305 175.645 176.094 -0.241 0.000 1.029 126 V CA -1.246 60.900 62.300 -0.257 0.000 0.870 126 V CB 1.038 32.674 31.823 -0.312 0.000 0.984 126 V HN 0.468 nan 8.190 nan 0.000 0.451 127 C N 7.996 127.177 119.300 -0.199 0.000 2.251 127 C HA 0.696 5.155 4.460 -0.001 0.000 0.323 127 C C -0.427 174.370 174.990 -0.322 0.000 1.241 127 C CA -0.694 58.186 59.018 -0.230 0.000 1.601 127 C CB -0.277 27.357 27.740 -0.177 0.000 2.251 127 C HN 0.796 nan 8.230 nan 0.000 0.488 128 L N 7.361 128.344 121.223 -0.399 0.000 2.276 128 L HA 0.628 4.967 4.340 -0.001 0.000 0.286 128 L C -0.117 176.544 176.870 -0.348 0.000 1.024 128 L CA 0.224 54.719 54.840 -0.575 0.000 0.826 128 L CB 0.335 42.012 42.059 -0.637 0.000 1.211 128 L HN 0.698 nan 8.230 nan 0.000 0.422 129 R N 6.263 126.583 120.500 -0.300 0.000 2.407 129 R HA 0.438 4.778 4.340 -0.001 0.000 0.298 129 R C -2.534 173.705 176.300 -0.102 0.000 1.166 129 R CA -1.656 54.356 56.100 -0.146 0.000 1.006 129 R CB 1.317 31.562 30.300 -0.092 0.000 1.145 129 R HN 0.436 nan 8.270 nan 0.000 0.538 130 P HA 0.140 nan 4.420 nan 0.000 0.281 130 P C -0.624 176.705 177.300 0.048 0.000 1.252 130 P CA -0.364 62.733 63.100 -0.006 0.000 0.778 130 P CB 1.391 33.103 31.700 0.020 0.000 0.895 131 V N 5.087 125.040 119.914 0.065 0.000 2.443 131 V HA 0.582 4.702 4.120 -0.001 0.000 0.293 131 V C 0.424 176.577 176.094 0.099 0.000 1.021 131 V CA -0.481 61.876 62.300 0.095 0.000 0.848 131 V CB 1.280 33.156 31.823 0.089 0.000 0.998 131 V HN 0.652 nan 8.190 nan 0.000 0.424 132 R N 3.520 124.086 120.500 0.109 0.000 2.799 132 R HA 0.608 4.947 4.340 -0.001 0.000 0.270 132 R C -1.840 174.533 176.300 0.121 0.000 1.010 132 R CA -0.881 55.261 56.100 0.070 0.000 0.916 132 R CB 1.764 32.038 30.300 -0.044 0.000 1.228 132 R HN 0.476 nan 8.270 nan 0.000 0.469 133 Y N 1.594 121.874 120.300 -0.034 0.000 2.327 133 Y HA 0.407 4.956 4.550 -0.001 0.000 0.336 133 Y C -1.296 174.560 175.900 -0.073 0.000 1.035 133 Y CA -1.154 56.964 58.100 0.029 0.000 1.165 133 Y CB 0.706 39.188 38.460 0.037 0.000 1.181 133 Y HN 0.486 nan 8.280 nan 0.000 0.494 134 F N 4.696 124.353 119.950 -0.489 0.000 2.424 134 F HA 0.234 4.760 4.527 -0.001 0.000 0.356 134 F C 0.633 175.946 175.800 -0.811 0.000 1.110 134 F CA -0.601 57.136 58.000 -0.438 0.000 1.161 134 F CB 0.450 39.309 39.000 -0.236 0.000 1.115 134 F HN 0.473 nan 8.300 nan 0.000 0.507 135 E N 1.711 121.700 120.200 -0.352 0.000 2.502 135 E HA 0.210 4.559 4.350 -0.001 0.000 0.261 135 E C 1.099 177.606 176.600 -0.154 0.000 0.974 135 E CA 1.029 57.295 56.400 -0.223 0.000 0.936 135 E CB 0.301 29.999 29.700 -0.003 0.000 0.926 135 E HN 0.966 nan 8.360 nan 0.000 0.459 136 G N 2.938 111.717 108.800 -0.035 0.000 2.195 136 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.246 136 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.246 136 G C 0.406 175.323 174.900 0.028 0.000 0.984 136 G CA 0.207 45.328 45.100 0.034 0.000 0.633 136 G HN 0.527 nan 8.290 nan 0.000 0.525 137 T N 3.424 117.938 114.554 -0.068 0.000 2.870 137 T HA 0.462 4.811 4.350 -0.001 0.000 0.300 137 T C -1.993 172.811 174.700 0.173 0.000 0.989 137 T CA -0.332 61.781 62.100 0.021 0.000 1.139 137 T CB 1.422 70.274 68.868 -0.026 0.000 0.920 137 T HN 0.112 nan 8.240 nan 0.000 0.537 138 P HA 0.218 nan 4.420 nan 0.000 0.265 138 P C -0.671 176.691 177.300 0.103 0.000 1.193 138 P CA -0.001 63.148 63.100 0.080 0.000 0.765 138 P CB 0.549 32.265 31.700 0.026 0.000 0.823 139 S N 2.992 118.740 115.700 0.081 0.000 2.556 139 S HA 0.560 5.029 4.470 -0.001 0.000 0.271 139 S C -2.183 172.419 174.600 0.005 0.000 1.135 139 S CA -1.441 56.794 58.200 0.058 0.000 0.858 139 S CB 1.327 64.561 63.200 0.057 0.000 1.114 139 S HN 0.232 nan 8.310 nan 0.000 0.468 140 P HA 0.159 nan 4.420 nan 0.000 0.241 140 P C -0.055 177.224 177.300 -0.036 0.000 1.191 140 P CA 0.240 63.328 63.100 -0.020 0.000 0.771 140 P CB 0.079 31.770 31.700 -0.015 0.000 0.929 141 M N -0.451 119.119 119.600 -0.050 0.000 2.359 141 M HA 0.269 4.748 4.480 -0.001 0.000 0.322 141 M C 1.738 177.967 176.300 -0.118 0.000 1.166 141 M CA -0.478 54.780 55.300 -0.071 0.000 1.067 141 M CB 0.673 33.227 32.600 -0.076 0.000 1.523 141 M HN -0.179 nan 8.290 nan 0.000 0.467 142 R N 0.204 120.625 120.500 -0.133 0.000 2.119 142 R HA -0.030 4.309 4.340 -0.001 0.000 0.222 142 R C 0.021 176.002 176.300 -0.531 0.000 1.088 142 R CA 1.114 57.044 56.100 -0.283 0.000 0.984 142 R CB 0.045 30.211 30.300 -0.224 0.000 0.884 142 R HN 0.665 nan 8.270 nan 0.000 0.447 143 H N -0.494 118.513 119.070 -0.106 0.000 2.379 143 H HA 0.153 4.709 4.556 -0.001 0.000 0.229 143 H C -1.880 173.319 175.328 -0.215 0.000 1.423 143 H CA -1.404 54.560 56.048 -0.140 0.000 1.375 143 H CB 1.229 30.942 29.762 -0.082 0.000 1.592 143 H HN 0.042 nan 8.280 nan 0.000 0.507 144 P HA -0.177 nan 4.420 nan 0.000 0.223 144 P C 1.315 178.298 177.300 -0.529 0.000 1.151 144 P CA 0.935 63.759 63.100 -0.460 0.000 0.787 144 P CB 0.571 31.818 31.700 -0.756 0.000 0.788 145 E N 1.601 121.495 120.200 -0.510 0.000 2.409 145 E HA -0.165 4.185 4.350 -0.001 0.000 0.198 145 E C 1.157 177.753 176.600 -0.008 0.000 1.024 145 E CA 0.937 57.253 56.400 -0.141 0.000 0.861 145 E CB -0.601 29.117 29.700 0.031 0.000 0.788 145 E HN 0.287 nan 8.360 nan 0.000 0.521 146 K N 0.753 121.137 120.400 -0.027 0.000 2.487 146 K HA 0.140 4.459 4.320 -0.001 0.000 0.192 146 K C -0.006 176.613 176.600 0.030 0.000 1.027 146 K CA 0.017 56.309 56.287 0.008 0.000 1.054 146 K CB 0.672 33.173 32.500 0.002 0.000 0.824 146 K HN -0.055 nan 8.250 nan 0.000 0.510 147 V N 2.278 122.212 119.914 0.032 0.000 2.364 147 V HA 0.129 4.249 4.120 -0.001 0.000 0.272 147 V C -0.523 175.623 176.094 0.087 0.000 1.036 147 V CA -0.462 61.875 62.300 0.062 0.000 0.880 147 V CB 1.112 32.970 31.823 0.058 0.000 0.991 147 V HN 0.105 nan 8.190 nan 0.000 0.460 148 D N 5.913 126.366 120.400 0.089 0.000 2.337 148 D HA 0.452 5.091 4.640 -0.001 0.000 0.238 148 D C -0.833 175.531 176.300 0.106 0.000 1.331 148 D CA -0.200 53.852 54.000 0.087 0.000 0.967 148 D CB 0.929 41.773 40.800 0.072 0.000 1.382 148 D HN 0.413 nan 8.370 nan 0.000 0.549 149 M N 0.944 120.609 119.600 0.109 0.000 2.631 149 M HA 0.552 5.032 4.480 -0.001 0.000 0.288 149 M C -0.995 175.368 176.300 0.104 0.000 1.260 149 M CA -1.173 54.204 55.300 0.129 0.000 0.842 149 M CB 2.966 35.653 32.600 0.146 0.000 1.743 149 M HN -0.096 nan 8.290 nan 0.000 0.461 150 V N 3.023 123.004 119.914 0.111 0.000 2.482 150 V HA 0.418 4.537 4.120 -0.001 0.000 0.295 150 V C -0.792 175.333 176.094 0.052 0.000 1.026 150 V CA -0.726 61.594 62.300 0.034 0.000 0.856 150 V CB 1.822 33.652 31.823 0.011 0.000 1.001 150 V HN 0.571 nan 8.190 nan 0.000 0.424 151 I N 4.901 125.455 120.570 -0.026 0.000 2.325 151 I HA 0.394 4.564 4.170 -0.001 0.000 0.291 151 I C -0.418 175.631 176.117 -0.113 0.000 1.019 151 I CA -0.290 61.010 61.300 -0.001 0.000 1.302 151 I CB 0.805 38.795 38.000 -0.016 0.000 1.401 151 I HN 0.396 nan 8.210 nan 0.000 0.485 152 F N 5.998 125.884 119.950 -0.106 0.000 2.334 152 F HA 0.398 4.924 4.527 -0.002 0.000 0.367 152 F C 0.862 176.621 175.800 -0.068 0.000 1.115 152 F CA -0.532 57.408 58.000 -0.101 0.000 1.116 152 F CB 0.696 39.647 39.000 -0.080 0.000 1.230 152 F HN 0.368 nan 8.300 nan 0.000 0.484 153 R N 3.657 124.153 120.500 -0.007 0.000 2.265 153 R HA 0.194 4.534 4.340 -0.001 0.000 0.328 153 R C -0.071 176.207 176.300 -0.037 0.000 0.969 153 R CA -0.624 55.443 56.100 -0.055 0.000 0.832 153 R CB 0.823 31.050 30.300 -0.121 0.000 1.139 153 R HN 0.468 nan 8.270 nan 0.000 0.457 154 E N 3.116 123.310 120.200 -0.010 0.000 2.558 154 E HA -0.138 4.211 4.350 -0.001 0.000 0.255 154 E C -0.626 175.942 176.600 -0.054 0.000 0.968 154 E CA 0.547 56.971 56.400 0.040 0.000 0.939 154 E CB 0.680 30.418 29.700 0.064 0.000 0.921 154 E HN 0.611 nan 8.360 nan 0.000 0.477 155 N N 1.378 120.079 118.700 0.000 0.000 2.197 155 N HA 0.022 4.761 4.740 -0.001 0.000 0.228 155 N C 0.228 175.737 175.510 -0.003 0.000 1.212 155 N CA 0.452 53.468 53.050 -0.056 0.000 0.883 155 N CB 0.479 38.931 38.487 -0.059 0.000 1.107 155 N HN 0.332 nan 8.380 nan 0.000 0.519 156 S N -2.094 113.629 115.700 0.040 0.000 2.649 156 S HA 0.207 4.676 4.470 -0.001 0.000 0.246 156 S C 0.606 175.231 174.600 0.043 0.000 1.057 156 S CA -0.349 57.883 58.200 0.052 0.000 1.051 156 S CB 0.521 63.770 63.200 0.083 0.000 1.018 156 S HN 0.373 nan 8.310 nan 0.000 0.569 157 E N 0.273 120.496 120.200 0.039 0.000 2.780 157 E HA 0.547 4.896 4.350 -0.001 0.000 0.152 157 E C -1.060 175.575 176.600 0.058 0.000 0.820 157 E CA -0.646 55.785 56.400 0.051 0.000 0.902 157 E CB -0.261 29.473 29.700 0.056 0.000 2.035 157 E HN -0.026 nan 8.360 nan 0.000 0.384 158 D N -0.932 119.505 120.400 0.063 0.000 5.703 158 D HA -0.228 4.411 4.640 -0.001 0.000 0.317 158 D C 0.241 176.601 176.300 0.100 0.000 2.508 158 D CA 1.005 55.044 54.000 0.066 0.000 1.333 158 D CB -0.477 40.337 40.800 0.024 0.000 1.145 158 D HN 0.558 nan 8.370 nan 0.000 1.293 159 I N 1.055 121.686 120.570 0.102 0.000 3.164 159 I HA -0.151 4.018 4.170 -0.001 0.000 0.278 159 I C 1.403 177.545 176.117 0.042 0.000 1.320 159 I CA 0.997 62.330 61.300 0.054 0.000 1.422 159 I CB -0.292 37.717 38.000 0.016 0.000 1.066 159 I HN 0.365 nan 8.210 nan 0.000 0.503 160 Y N 0.040 120.309 120.300 -0.052 0.000 2.578 160 Y HA 0.145 4.695 4.550 -0.000 0.000 0.297 160 Y C 2.321 178.190 175.900 -0.050 0.000 1.176 160 Y CA 0.488 58.558 58.100 -0.050 0.000 1.315 160 Y CB -0.586 37.849 38.460 -0.042 0.000 1.031 160 Y HN 0.260 nan 8.280 nan 0.000 0.524 161 A N -0.216 122.648 122.820 0.074 0.000 2.070 161 A HA 0.146 4.466 4.320 -0.001 0.000 0.220 161 A C 2.099 179.656 177.584 -0.045 0.000 1.159 161 A CA 1.217 53.266 52.037 0.020 0.000 0.656 161 A CB -1.049 17.956 19.000 0.008 0.000 0.800 161 A HN 0.619 nan 8.150 nan 0.000 0.453 162 G N -1.224 107.518 108.800 -0.096 0.000 2.171 162 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.238 162 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.238 162 G C -0.101 174.664 174.900 -0.225 0.000 1.039 162 G CA 0.166 45.172 45.100 -0.156 0.000 0.759 162 G HN 0.531 nan 8.290 nan 0.000 0.501 163 I N 1.262 121.678 120.570 -0.255 0.000 2.306 163 I HA 0.572 4.741 4.170 -0.001 0.000 0.288 163 I C 0.281 176.009 176.117 -0.647 0.000 1.036 163 I CA -0.314 60.727 61.300 -0.432 0.000 1.221 163 I CB 0.879 38.724 38.000 -0.258 0.000 1.385 163 I HN 0.500 nan 8.210 nan 0.000 0.472 164 E N 5.510 125.092 120.200 -1.030 0.000 2.396 164 E HA 0.459 4.808 4.350 -0.001 0.000 0.280 164 E C -2.101 173.897 176.600 -1.004 0.000 1.065 164 E CA -1.072 54.822 56.400 -0.843 0.000 0.831 164 E CB 1.551 31.037 29.700 -0.356 0.000 1.272 164 E HN 0.298 nan 8.360 nan 0.000 0.443 165 W N 0.704 122.004 121.300 0.000 0.000 3.022 165 W HA 0.374 5.033 4.660 -0.001 0.000 0.335 165 W C -2.698 173.823 176.519 0.003 0.000 1.133 165 W CA -1.941 55.405 57.345 0.001 0.000 1.219 165 W CB 1.574 31.037 29.460 0.005 0.000 1.409 165 W HN 0.403 nan 8.180 nan 0.000 0.507 166 P HA 0.193 nan 4.420 nan 0.000 0.274 166 P C -0.122 177.242 177.300 0.107 0.000 1.231 166 P CA -0.078 63.086 63.100 0.107 0.000 0.790 166 P CB 0.588 32.331 31.700 0.071 0.000 0.951 167 A N 1.809 124.673 122.820 0.073 0.000 2.540 167 A HA 0.408 4.728 4.320 -0.001 0.000 0.239 167 A C 1.545 179.160 177.584 0.051 0.000 1.061 167 A CA 0.799 52.874 52.037 0.062 0.000 0.758 167 A CB -1.468 17.556 19.000 0.041 0.000 0.991 167 A HN 0.898 nan 8.150 nan 0.000 0.502 168 G N 1.193 110.023 108.800 0.048 0.000 2.205 168 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.261 168 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.261 168 G C 0.650 175.572 174.900 0.036 0.000 0.980 168 G CA 1.042 46.163 45.100 0.036 0.000 0.632 168 G HN 2.189 nan 8.290 nan 0.000 0.533 169 S N 0.363 116.094 115.700 0.051 0.000 2.601 169 S HA 0.619 5.089 4.470 -0.001 0.000 0.271 169 S C -0.789 173.824 174.600 0.022 0.000 1.305 169 S CA -0.557 57.672 58.200 0.048 0.000 1.022 169 S CB 2.199 65.450 63.200 0.084 0.000 0.940 169 S HN -0.004 nan 8.310 nan 0.000 0.525 170 P HA -0.107 nan 4.420 nan 0.000 0.216 170 P C 1.152 178.411 177.300 -0.067 0.000 1.150 170 P CA 1.322 64.410 63.100 -0.021 0.000 0.843 170 P CB 0.050 31.739 31.700 -0.018 0.000 0.787 171 E N -0.565 119.582 120.200 -0.088 0.000 2.047 171 E HA -0.142 4.208 4.350 -0.001 0.000 0.191 171 E C 2.157 178.579 176.600 -0.297 0.000 0.987 171 E CA 1.220 57.459 56.400 -0.268 0.000 0.799 171 E CB -0.621 28.879 29.700 -0.334 0.000 0.752 171 E HN 0.113 nan 8.360 nan 0.000 0.449 172 A N 1.497 124.273 122.820 -0.072 0.000 1.908 172 A HA -0.272 4.047 4.320 -0.001 0.000 0.218 172 A C 1.938 179.506 177.584 -0.027 0.000 1.181 172 A CA 1.667 53.710 52.037 0.010 0.000 0.627 172 A CB -0.506 18.563 19.000 0.115 0.000 0.818 172 A HN 0.195 nan 8.150 nan 0.000 0.445 173 E N -0.475 119.710 120.200 -0.025 0.000 2.077 173 E HA -0.231 4.119 4.350 -0.001 0.000 0.193 173 E C 2.105 178.684 176.600 -0.035 0.000 0.989 173 E CA 1.388 57.780 56.400 -0.014 0.000 0.800 173 E CB -0.188 29.507 29.700 -0.008 0.000 0.746 173 E HN 0.705 nan 8.360 nan 0.000 0.452 174 K N 0.915 121.264 120.400 -0.085 0.000 2.002 174 K HA -0.197 4.122 4.320 -0.001 0.000 0.209 174 K C 2.235 178.784 176.600 -0.085 0.000 1.048 174 K CA 1.201 57.429 56.287 -0.098 0.000 0.930 174 K CB -0.147 32.253 32.500 -0.168 0.000 0.714 174 K HN 0.024 nan 8.250 nan 0.000 0.438 175 I N 1.324 121.790 120.570 -0.173 0.000 2.315 175 I HA -0.175 3.995 4.170 -0.001 0.000 0.248 175 I C 1.793 177.941 176.117 0.050 0.000 1.117 175 I CA 1.168 62.406 61.300 -0.103 0.000 1.404 175 I CB -0.032 37.813 38.000 -0.260 0.000 1.071 175 I HN 0.245 nan 8.210 nan 0.000 0.419 176 I N 0.171 120.759 120.570 0.029 0.000 2.226 176 I HA -0.299 3.871 4.170 -0.001 0.000 0.245 176 I C 2.681 178.829 176.117 0.050 0.000 1.100 176 I CA 1.460 62.792 61.300 0.053 0.000 1.374 176 I CB -0.480 37.548 38.000 0.047 0.000 1.057 176 I HN 0.223 nan 8.210 nan 0.000 0.413 177 R N 0.659 121.186 120.500 0.046 0.000 2.081 177 R HA -0.230 4.109 4.340 -0.001 0.000 0.235 177 R C 2.411 178.748 176.300 0.061 0.000 1.131 177 R CA 1.707 57.831 56.100 0.041 0.000 0.960 177 R CB -0.396 29.925 30.300 0.035 0.000 0.856 177 R HN 0.252 nan 8.270 nan 0.000 0.436 178 F N 1.054 120.981 119.950 -0.038 0.000 2.134 178 F HA -0.123 4.404 4.527 -0.001 0.000 0.299 178 F C 1.716 177.508 175.800 -0.014 0.000 1.097 178 F CA 1.398 59.379 58.000 -0.031 0.000 1.264 178 F CB -0.161 38.811 39.000 -0.047 0.000 1.001 178 F HN -0.011 nan 8.300 nan 0.000 0.479 179 L N -0.115 121.141 121.223 0.055 0.000 2.017 179 L HA -0.219 4.121 4.340 -0.001 0.000 0.208 179 L C 2.645 179.455 176.870 -0.099 0.000 1.073 179 L CA 1.652 56.480 54.840 -0.020 0.000 0.745 179 L CB -0.594 41.510 42.059 0.076 0.000 0.894 179 L HN 0.056 nan 8.230 nan 0.000 0.432 180 R N -0.336 120.127 120.500 -0.062 0.000 2.075 180 R HA -0.085 4.255 4.340 -0.001 0.000 0.226 180 R C 2.149 178.392 176.300 -0.095 0.000 1.114 180 R CA 1.148 57.212 56.100 -0.060 0.000 0.972 180 R CB -0.110 30.174 30.300 -0.027 0.000 0.869 180 R HN 0.429 nan 8.270 nan 0.000 0.437 181 E N -0.014 120.116 120.200 -0.117 0.000 2.170 181 E HA -0.080 4.270 4.350 -0.001 0.000 0.191 181 E C 1.403 177.888 176.600 -0.191 0.000 0.981 181 E CA 0.637 56.965 56.400 -0.119 0.000 0.830 181 E CB 0.331 29.986 29.700 -0.074 0.000 0.775 181 E HN 0.269 nan 8.360 nan 0.000 0.470 182 E N -0.366 119.613 120.200 -0.369 0.000 2.372 182 E HA 0.112 4.461 4.350 -0.001 0.000 0.201 182 E C 1.604 177.931 176.600 -0.454 0.000 0.938 182 E CA 0.338 56.450 56.400 -0.480 0.000 0.944 182 E CB 0.399 29.608 29.700 -0.818 0.000 0.937 182 E HN 0.186 nan 8.360 nan 0.000 0.495 183 M N -0.424 118.911 119.600 -0.441 0.000 2.371 183 M HA 0.245 4.724 4.480 -0.001 0.000 0.246 183 M C 0.843 177.069 176.300 -0.125 0.000 1.103 183 M CA 0.497 55.650 55.300 -0.245 0.000 1.010 183 M CB 0.196 32.690 32.600 -0.177 0.000 1.457 183 M HN 0.186 nan 8.290 nan 0.000 0.486 184 G N 1.707 110.434 108.800 -0.123 0.000 2.198 184 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.260 184 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.260 184 G C 0.066 174.941 174.900 -0.042 0.000 1.025 184 G CA 0.061 45.119 45.100 -0.070 0.000 0.769 184 G HN 0.342 nan 8.290 nan 0.000 0.507 185 V N 0.885 120.774 119.914 -0.042 0.000 2.508 185 V HA 0.505 4.624 4.120 -0.001 0.000 0.281 185 V C 1.524 177.608 176.094 -0.016 0.000 1.041 185 V CA 1.041 63.332 62.300 -0.014 0.000 1.016 185 V CB 1.279 33.103 31.823 0.002 0.000 0.984 185 V HN 0.767 nan 8.190 nan 0.000 0.478 186 T N 0.320 114.867 114.554 -0.012 0.000 3.004 186 T HA 0.170 4.519 4.350 -0.001 0.000 0.266 186 T C 1.044 175.731 174.700 -0.022 0.000 0.986 186 T CA -0.386 61.703 62.100 -0.019 0.000 0.902 186 T CB 0.174 69.031 68.868 -0.019 0.000 1.118 186 T HN 0.420 nan 8.240 nan 0.000 0.522 187 K N 1.352 121.744 120.400 -0.013 0.000 2.404 187 K HA 0.370 4.690 4.320 -0.001 0.000 0.194 187 K C 0.411 176.998 176.600 -0.022 0.000 1.023 187 K CA -0.128 56.148 56.287 -0.019 0.000 1.094 187 K CB 0.057 32.553 32.500 -0.007 0.000 0.841 187 K HN 0.531 nan 8.250 nan 0.000 0.523 188 I N 2.230 122.792 120.570 -0.014 0.000 2.494 188 I HA 0.013 4.182 4.170 -0.001 0.000 0.289 188 I C 1.739 177.822 176.117 -0.057 0.000 1.106 188 I CA -0.187 61.110 61.300 -0.005 0.000 1.369 188 I CB 0.744 38.759 38.000 0.025 0.000 1.410 188 I HN -0.094 nan 8.210 nan 0.000 0.523 189 R N 6.038 126.480 120.500 -0.097 0.000 2.066 189 R HA -0.037 4.302 4.340 -0.001 0.000 0.232 189 R C 0.029 176.042 176.300 -0.478 0.000 1.131 189 R CA 1.836 57.750 56.100 -0.310 0.000 0.955 189 R CB -0.015 30.063 30.300 -0.369 0.000 0.851 189 R HN 0.467 nan 8.270 nan 0.000 0.432 190 F N 1.020 120.980 119.950 0.017 0.000 2.550 190 F HA 0.388 4.915 4.527 -0.001 0.000 0.348 190 F C -1.644 174.169 175.800 0.020 0.000 1.219 190 F CA -2.524 55.486 58.000 0.017 0.000 1.203 190 F CB 1.944 40.953 39.000 0.016 0.000 1.436 190 F HN 0.048 nan 8.300 nan 0.000 0.541 191 P HA -0.143 nan 4.420 nan 0.000 0.220 191 P C 0.742 178.102 177.300 0.099 0.000 1.148 191 P CA 1.347 64.504 63.100 0.095 0.000 0.803 191 P CB 0.459 32.190 31.700 0.052 0.000 0.782 192 D N -0.357 120.112 120.400 0.114 0.000 2.347 192 D HA -0.031 4.608 4.640 -0.001 0.000 0.215 192 D C 1.245 177.589 176.300 0.074 0.000 0.976 192 D CA 1.091 55.141 54.000 0.084 0.000 0.884 192 D CB -0.042 40.806 40.800 0.080 0.000 0.915 192 D HN 0.314 nan 8.370 nan 0.000 0.526 193 S N -1.589 114.166 115.700 0.093 0.000 3.082 193 S HA 0.216 4.685 4.470 -0.001 0.000 0.253 193 S C 0.163 174.803 174.600 0.068 0.000 0.961 193 S CA -0.627 57.605 58.200 0.054 0.000 1.129 193 S CB 0.296 63.496 63.200 -0.000 0.000 1.083 193 S HN -0.203 nan 8.310 nan 0.000 0.605 194 S N 2.354 118.113 115.700 0.098 0.000 2.499 194 S HA 0.762 5.231 4.470 -0.001 0.000 0.279 194 S C 0.485 175.143 174.600 0.097 0.000 1.219 194 S CA -0.339 57.923 58.200 0.104 0.000 1.062 194 S CB 1.238 64.510 63.200 0.120 0.000 0.978 194 S HN 0.793 nan 8.310 nan 0.000 0.489 195 A N 3.584 126.458 122.820 0.090 0.000 2.304 195 A HA 0.695 5.015 4.320 -0.001 0.000 0.271 195 A C -0.334 177.325 177.584 0.126 0.000 1.091 195 A CA -0.424 51.677 52.037 0.106 0.000 0.812 195 A CB 0.209 19.250 19.000 0.069 0.000 1.056 195 A HN 0.706 nan 8.150 nan 0.000 0.489 196 I N 1.090 121.769 120.570 0.182 0.000 2.499 196 I HA 0.462 4.632 4.170 -0.001 0.000 0.288 196 I C 0.504 176.718 176.117 0.161 0.000 1.048 196 I CA 0.030 61.454 61.300 0.207 0.000 1.062 196 I CB 1.179 39.364 38.000 0.309 0.000 1.238 196 I HN 0.758 nan 8.210 nan 0.000 0.426 197 G N 6.417 115.265 108.800 0.080 0.000 2.432 197 G HA2 0.730 4.689 3.960 -0.001 0.000 0.331 197 G HA3 0.730 4.689 3.960 -0.001 0.000 0.331 197 G C -0.891 174.032 174.900 0.039 0.000 1.170 197 G CA -0.354 44.739 45.100 -0.012 0.000 0.943 197 G HN 0.307 nan 8.290 nan 0.000 0.483 198 I N 0.708 121.274 120.570 -0.006 0.000 2.433 198 I HA 0.392 4.562 4.170 -0.001 0.000 0.292 198 I C -0.128 176.009 176.117 0.032 0.000 1.001 198 I CA -1.009 60.325 61.300 0.056 0.000 1.119 198 I CB 1.889 39.940 38.000 0.086 0.000 1.289 198 I HN 0.437 nan 8.210 nan 0.000 0.438 199 K N 8.184 128.620 120.400 0.059 0.000 2.404 199 K HA 0.489 4.809 4.320 -0.001 0.000 0.257 199 K C -2.573 174.077 176.600 0.082 0.000 1.026 199 K CA -1.276 55.046 56.287 0.058 0.000 0.951 199 K CB 1.121 33.653 32.500 0.052 0.000 1.203 199 K HN 0.283 nan 8.250 nan 0.000 0.446 200 P HA 0.245 nan 4.420 nan 0.000 0.297 200 P C -1.123 176.243 177.300 0.110 0.000 1.319 200 P CA -0.602 62.554 63.100 0.095 0.000 0.810 200 P CB 1.637 33.380 31.700 0.072 0.000 0.947 201 V N 2.729 122.738 119.914 0.158 0.000 2.577 201 V HA 0.498 4.618 4.120 -0.001 0.000 0.303 201 V C 0.174 176.434 176.094 0.277 0.000 1.042 201 V CA -0.402 62.027 62.300 0.215 0.000 0.872 201 V CB 1.894 33.863 31.823 0.243 0.000 0.998 201 V HN 0.768 nan 8.190 nan 0.000 0.423 202 S N 2.097 117.909 115.700 0.186 0.000 2.648 202 S HA 0.467 4.936 4.470 -0.001 0.000 0.305 202 S C 0.852 175.266 174.600 -0.310 0.000 1.094 202 S CA -0.133 58.053 58.200 -0.023 0.000 0.983 202 S CB 1.827 64.985 63.200 -0.070 0.000 1.101 202 S HN 0.592 nan 8.310 nan 0.000 0.514 203 T N 1.567 115.607 114.554 -0.856 0.000 2.708 203 T HA -0.095 4.255 4.350 -0.001 0.000 0.266 203 T C 1.475 175.893 174.700 -0.470 0.000 1.037 203 T CA 1.951 63.371 62.100 -1.133 0.000 1.146 203 T CB -0.516 67.643 68.868 -1.181 0.000 0.865 203 T HN 0.783 nan 8.240 nan 0.000 0.435 204 E N 0.707 120.714 120.200 -0.321 0.000 2.077 204 E HA -0.040 4.310 4.350 -0.001 0.000 0.193 204 E C 2.615 179.121 176.600 -0.156 0.000 0.989 204 E CA 0.923 57.198 56.400 -0.209 0.000 0.800 204 E CB -0.430 29.167 29.700 -0.171 0.000 0.746 204 E HN 0.532 nan 8.360 nan 0.000 0.452 205 G N 0.902 109.639 108.800 -0.105 0.000 2.421 205 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.216 205 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.216 205 G C 1.728 176.661 174.900 0.055 0.000 1.171 205 G CA 0.921 46.002 45.100 -0.033 0.000 0.775 205 G HN 0.167 nan 8.290 nan 0.000 0.543 206 S N 0.549 116.320 115.700 0.120 0.000 2.368 206 S HA -0.075 4.395 4.470 -0.001 0.000 0.225 206 S C 2.098 176.697 174.600 -0.002 0.000 1.030 206 S CA 1.335 59.653 58.200 0.197 0.000 0.999 206 S CB -0.246 63.158 63.200 0.341 0.000 0.844 206 S HN 0.553 nan 8.310 nan 0.000 0.459 207 E N 1.160 121.330 120.200 -0.050 0.000 2.058 207 E HA -0.222 4.128 4.350 -0.001 0.000 0.194 207 E C 2.396 178.980 176.600 -0.026 0.000 0.997 207 E CA 1.340 57.701 56.400 -0.065 0.000 0.801 207 E CB -0.182 29.458 29.700 -0.101 0.000 0.746 207 E HN 0.570 nan 8.360 nan 0.000 0.450 208 R N 0.851 121.321 120.500 -0.049 0.000 2.148 208 R HA -0.050 4.289 4.340 -0.001 0.000 0.227 208 R C 2.381 178.795 176.300 0.191 0.000 1.103 208 R CA 0.804 56.889 56.100 -0.025 0.000 0.983 208 R CB -0.409 29.701 30.300 -0.316 0.000 0.874 208 R HN 0.155 nan 8.270 nan 0.000 0.451 209 L N 1.403 122.752 121.223 0.211 0.000 2.072 209 L HA -0.001 4.339 4.340 -0.001 0.000 0.205 209 L C 2.104 179.063 176.870 0.148 0.000 1.079 209 L CA 1.614 56.645 54.840 0.319 0.000 0.752 209 L CB -0.410 41.856 42.059 0.346 0.000 0.906 209 L HN 0.274 nan 8.230 nan 0.000 0.436 210 I N -0.154 120.435 120.570 0.032 0.000 2.315 210 I HA -0.280 3.890 4.170 -0.001 0.000 0.248 210 I C 2.770 178.834 176.117 -0.088 0.000 1.117 210 I CA 0.880 62.122 61.300 -0.097 0.000 1.404 210 I CB -0.363 37.490 38.000 -0.244 0.000 1.071 210 I HN 0.302 nan 8.210 nan 0.000 0.419 211 R N 1.077 121.590 120.500 0.022 0.000 2.096 211 R HA -0.197 4.142 4.340 -0.001 0.000 0.240 211 R C 2.490 178.826 176.300 0.060 0.000 1.139 211 R CA 1.549 57.721 56.100 0.119 0.000 0.952 211 R CB -0.107 30.302 30.300 0.180 0.000 0.854 211 R HN 0.189 nan 8.270 nan 0.000 0.436 212 R N -0.258 120.286 120.500 0.074 0.000 2.096 212 R HA -0.076 4.264 4.340 -0.001 0.000 0.235 212 R C 2.185 178.300 176.300 -0.309 0.000 1.127 212 R CA 1.869 58.005 56.100 0.059 0.000 0.968 212 R CB -0.780 29.660 30.300 0.232 0.000 0.861 212 R HN 0.375 nan 8.270 nan 0.000 0.440 213 T N 1.575 115.742 114.554 -0.645 0.000 2.737 213 T HA -0.040 4.310 4.350 -0.001 0.000 0.265 213 T C 2.073 176.431 174.700 -0.570 0.000 1.038 213 T CA 1.108 62.493 62.100 -1.191 0.000 1.144 213 T CB -0.148 68.261 68.868 -0.766 0.000 0.866 213 T HN 0.150 nan 8.240 nan 0.000 0.434 214 I N 1.081 121.397 120.570 -0.424 0.000 2.315 214 I HA -0.197 3.972 4.170 -0.001 0.000 0.248 214 I C 2.790 178.675 176.117 -0.387 0.000 1.117 214 I CA 1.272 62.284 61.300 -0.480 0.000 1.404 214 I CB -0.429 37.075 38.000 -0.826 0.000 1.071 214 I HN 0.292 nan 8.210 nan 0.000 0.419 215 Q N -0.271 119.394 119.800 -0.225 0.000 2.084 215 Q HA -0.264 4.075 4.340 -0.001 0.000 0.202 215 Q C 2.161 178.210 176.000 0.082 0.000 0.978 215 Q CA 1.991 57.802 55.803 0.013 0.000 0.844 215 Q CB -0.359 28.476 28.738 0.161 0.000 0.898 215 Q HN 0.535 nan 8.270 nan 0.000 0.426 216 Y N 0.924 121.209 120.300 -0.026 0.000 2.114 216 Y HA -0.250 4.299 4.550 -0.001 0.000 0.284 216 Y C 2.267 178.260 175.900 0.155 0.000 1.143 216 Y CA 1.473 59.664 58.100 0.152 0.000 1.135 216 Y CB -0.455 38.119 38.460 0.189 0.000 0.980 216 Y HN 0.084 nan 8.280 nan 0.000 0.499 217 A N 0.418 123.365 122.820 0.212 0.000 1.908 217 A HA -0.192 4.128 4.320 -0.001 0.000 0.218 217 A C 2.317 179.920 177.584 0.032 0.000 1.181 217 A CA 2.014 54.129 52.037 0.130 0.000 0.627 217 A CB -1.189 17.832 19.000 0.036 0.000 0.818 217 A HN 0.582 nan 8.150 nan 0.000 0.445 218 L N -0.474 120.739 121.223 -0.017 0.000 2.027 218 L HA -0.208 4.132 4.340 -0.001 0.000 0.206 218 L C 2.770 179.624 176.870 -0.027 0.000 1.074 218 L CA 1.855 56.685 54.840 -0.017 0.000 0.745 218 L CB -0.614 41.437 42.059 -0.012 0.000 0.898 218 L HN 0.747 nan 8.230 nan 0.000 0.433 219 E N -0.523 119.647 120.200 -0.050 0.000 2.268 219 E HA -0.236 4.114 4.350 -0.001 0.000 0.195 219 E C 1.342 177.758 176.600 -0.307 0.000 0.995 219 E CA 1.309 57.618 56.400 -0.153 0.000 0.836 219 E CB -0.170 29.437 29.700 -0.155 0.000 0.763 219 E HN 0.585 nan 8.360 nan 0.000 0.491 220 H N -0.376 118.566 119.070 -0.213 0.000 2.529 220 H HA 0.292 4.848 4.556 -0.000 0.000 0.277 220 H C 0.792 176.066 175.328 -0.089 0.000 1.004 220 H CA 0.485 56.409 56.048 -0.207 0.000 1.167 220 H CB 1.087 30.599 29.762 -0.417 0.000 1.445 220 H HN 0.367 nan 8.280 nan 0.000 0.554 221 G N 1.421 110.228 108.800 0.012 0.000 2.249 221 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.273 221 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.273 221 G C -0.135 174.795 174.900 0.049 0.000 1.036 221 G CA -0.147 44.967 45.100 0.024 0.000 0.824 221 G HN 0.160 nan 8.290 nan 0.000 0.504 222 K N -0.016 120.424 120.400 0.067 0.000 2.185 222 K HA 0.293 4.612 4.320 -0.001 0.000 0.271 222 K C -0.853 175.781 176.600 0.057 0.000 1.013 222 K CA -1.507 54.829 56.287 0.082 0.000 0.943 222 K CB 1.505 34.082 32.500 0.128 0.000 0.998 222 K HN 0.139 nan 8.250 nan 0.000 0.468 223 P HA -0.101 nan 4.420 nan 0.000 0.219 223 P C 0.015 177.336 177.300 0.035 0.000 1.150 223 P CA 0.858 63.982 63.100 0.040 0.000 0.814 223 P CB 0.411 32.131 31.700 0.033 0.000 0.787 224 S N -2.004 113.718 115.700 0.036 0.000 2.588 224 S HA 0.521 4.991 4.470 -0.001 0.000 0.269 224 S C -1.213 173.397 174.600 0.017 0.000 1.157 224 S CA -0.804 57.405 58.200 0.014 0.000 0.824 224 S CB 2.005 65.200 63.200 -0.008 0.000 1.126 224 S HN -0.186 nan 8.310 nan 0.000 0.464 225 V N 1.815 121.712 119.914 -0.029 0.000 2.487 225 V HA 0.650 4.769 4.120 -0.001 0.000 0.298 225 V C -0.484 175.566 176.094 -0.073 0.000 1.028 225 V CA -0.474 61.799 62.300 -0.044 0.000 0.860 225 V CB 1.858 33.616 31.823 -0.108 0.000 0.991 225 V HN 0.975 nan 8.190 nan 0.000 0.427 226 S N 5.952 121.635 115.700 -0.029 0.000 2.433 226 S HA 0.602 5.072 4.470 -0.001 0.000 0.310 226 S C -0.357 174.167 174.600 -0.127 0.000 1.097 226 S CA -0.494 57.667 58.200 -0.065 0.000 1.103 226 S CB 0.847 64.102 63.200 0.092 0.000 0.992 226 S HN 0.524 nan 8.310 nan 0.000 0.469 227 L N 3.874 125.015 121.223 -0.138 0.000 2.283 227 L HA 0.408 4.748 4.340 -0.001 0.000 0.287 227 L C -0.511 176.354 176.870 -0.008 0.000 1.073 227 L CA -0.612 54.204 54.840 -0.039 0.000 0.822 227 L CB 0.441 42.410 42.059 -0.151 0.000 1.186 227 L HN 0.299 nan 8.230 nan 0.000 0.436 228 V N 3.376 123.206 119.914 -0.141 0.000 2.427 228 V HA 0.496 4.616 4.120 -0.001 0.000 0.286 228 V C -0.381 175.609 176.094 -0.173 0.000 1.034 228 V CA -0.472 61.623 62.300 -0.342 0.000 0.893 228 V CB 1.244 32.615 31.823 -0.753 0.000 0.982 228 V HN 0.944 nan 8.190 nan 0.000 0.452 229 H N 2.129 121.092 119.070 -0.179 0.000 3.003 229 H HA 0.650 5.206 4.556 -0.001 0.000 0.327 229 H C -0.888 174.383 175.328 -0.094 0.000 1.353 229 H CA -1.176 54.784 56.048 -0.148 0.000 1.142 229 H CB 1.500 31.225 29.762 -0.062 0.000 1.864 229 H HN 0.312 nan 8.280 nan 0.000 0.529 230 K N 1.054 121.435 120.400 -0.031 0.000 3.082 230 K HA 0.371 4.690 4.320 -0.001 0.000 0.203 230 K C 0.788 177.436 176.600 0.080 0.000 1.177 230 K CA 0.154 56.419 56.287 -0.037 0.000 1.041 230 K CB -0.112 32.352 32.500 -0.059 0.000 1.312 230 K HN 0.861 nan 8.250 nan 0.000 0.526 231 G N 0.737 109.739 108.800 0.338 0.000 2.920 231 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.208 231 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.208 231 G C 0.948 175.874 174.900 0.044 0.000 1.159 231 G CA 0.228 45.426 45.100 0.162 0.000 0.784 231 G HN 0.575 nan 8.290 nan 0.000 0.535 232 N N 1.042 119.780 118.700 0.063 0.000 2.250 232 N HA -0.042 4.697 4.740 -0.001 0.000 0.181 232 N C 1.691 177.174 175.510 -0.046 0.000 1.017 232 N CA 0.792 53.846 53.050 0.007 0.000 0.866 232 N CB -0.211 38.292 38.487 0.026 0.000 0.985 232 N HN 0.238 nan 8.380 nan 0.000 0.429 233 I N -0.029 120.515 120.570 -0.043 0.000 2.731 233 I HA 0.165 4.335 4.170 -0.001 0.000 0.260 233 I C 0.708 176.764 176.117 -0.103 0.000 1.138 233 I CA 0.556 61.817 61.300 -0.064 0.000 1.461 233 I CB -0.453 37.524 38.000 -0.038 0.000 1.128 233 I HN 0.093 nan 8.210 nan 0.000 0.438 234 M N 1.140 120.683 119.600 -0.094 0.000 2.901 234 M HA 0.179 4.659 4.480 -0.001 0.000 0.294 234 M C 1.095 177.290 176.300 -0.175 0.000 1.255 234 M CA -0.102 55.129 55.300 -0.115 0.000 1.274 234 M CB 0.678 33.245 32.600 -0.055 0.000 1.173 234 M HN -0.035 nan 8.290 nan 0.000 0.525 235 K N 0.507 120.691 120.400 -0.360 0.000 2.097 235 K HA -0.056 4.264 4.320 -0.001 0.000 0.205 235 K C 0.734 177.144 176.600 -0.317 0.000 1.050 235 K CA 1.360 57.386 56.287 -0.436 0.000 0.938 235 K CB 0.148 32.224 32.500 -0.707 0.000 0.718 235 K HN 0.426 nan 8.250 nan 0.000 0.442 236 F N 0.427 120.348 119.950 -0.048 0.000 2.619 236 F HA 0.021 4.547 4.527 -0.001 0.000 0.293 236 F C 2.442 178.210 175.800 -0.055 0.000 1.119 236 F CA 0.639 58.605 58.000 -0.056 0.000 1.445 236 F CB -0.935 38.082 39.000 0.027 0.000 1.119 236 F HN 0.046 nan 8.300 nan 0.000 0.573 237 T N -2.186 112.435 114.554 0.111 0.000 2.967 237 T HA 0.015 4.364 4.350 -0.001 0.000 0.238 237 T C 1.665 176.387 174.700 0.036 0.000 1.024 237 T CA 0.601 62.772 62.100 0.118 0.000 1.234 237 T CB -0.537 68.397 68.868 0.110 0.000 0.931 237 T HN 0.113 nan 8.240 nan 0.000 0.417 238 E N 1.424 121.623 120.200 -0.002 0.000 2.106 238 E HA 0.009 4.359 4.350 -0.001 0.000 0.192 238 E C 2.497 179.073 176.600 -0.041 0.000 0.984 238 E CA 1.033 57.435 56.400 0.004 0.000 0.806 238 E CB -0.538 29.163 29.700 0.002 0.000 0.750 238 E HN 0.668 nan 8.360 nan 0.000 0.458 239 G N 1.255 109.981 108.800 -0.124 0.000 2.422 239 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.218 239 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.218 239 G C 1.598 176.257 174.900 -0.402 0.000 1.140 239 G CA 0.762 45.721 45.100 -0.235 0.000 0.775 239 G HN 0.354 nan 8.290 nan 0.000 0.545 240 G N 0.650 109.116 108.800 -0.557 0.000 2.433 240 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.216 240 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.216 240 G C 1.589 175.761 174.900 -1.213 0.000 1.186 240 G CA 0.890 45.108 45.100 -1.470 0.000 0.779 240 G HN 0.335 nan 8.290 nan 0.000 0.543 241 F N 1.567 121.207 119.950 -0.517 0.000 2.087 241 F HA -0.193 4.334 4.527 -0.001 0.000 0.299 241 F C 2.717 178.390 175.800 -0.212 0.000 1.100 241 F CA 2.412 60.349 58.000 -0.106 0.000 1.226 241 F CB -0.107 38.866 39.000 -0.044 0.000 0.983 241 F HN 0.100 nan 8.300 nan 0.000 0.479 242 R N 0.169 120.544 120.500 -0.209 0.000 2.062 242 R HA -0.156 4.184 4.340 -0.001 0.000 0.231 242 R C 1.941 178.015 176.300 -0.376 0.000 1.136 242 R CA 2.053 57.916 56.100 -0.394 0.000 0.948 242 R CB -0.582 29.360 30.300 -0.597 0.000 0.845 242 R HN 0.245 nan 8.270 nan 0.000 0.430 243 D N -0.345 119.854 120.400 -0.334 0.000 2.117 243 D HA -0.181 4.458 4.640 -0.001 0.000 0.198 243 D C 1.796 178.056 176.300 -0.067 0.000 0.982 243 D CA 0.932 54.827 54.000 -0.175 0.000 0.828 243 D CB -0.344 40.296 40.800 -0.266 0.000 0.967 243 D HN 0.358 nan 8.370 nan 0.000 0.464 244 W N 1.408 122.655 121.300 -0.089 0.000 2.363 244 W HA 0.043 4.702 4.660 -0.001 0.000 0.296 244 W C 2.435 178.853 176.519 -0.168 0.000 1.212 244 W CA 0.932 58.213 57.345 -0.107 0.000 1.260 244 W CB -1.397 27.992 29.460 -0.118 0.000 1.131 244 W HN 0.019 nan 8.180 nan 0.000 0.530 245 G N -0.545 108.180 108.800 -0.125 0.000 2.421 245 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.216 245 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.216 245 G C 1.329 176.149 174.900 -0.133 0.000 1.171 245 G CA 0.967 45.902 45.100 -0.275 0.000 0.775 245 G HN 0.141 nan 8.290 nan 0.000 0.543 246 Y N 1.355 121.609 120.300 -0.077 0.000 2.181 246 Y HA 0.062 4.612 4.550 -0.001 0.000 0.288 246 Y C 3.130 179.025 175.900 -0.008 0.000 1.146 246 Y CA 0.359 58.431 58.100 -0.047 0.000 1.164 246 Y CB -0.760 37.671 38.460 -0.049 0.000 0.982 246 Y HN 0.266 nan 8.280 nan 0.000 0.515 247 A N -0.142 122.788 122.820 0.183 0.000 1.877 247 A HA -0.185 4.135 4.320 -0.001 0.000 0.216 247 A C 2.344 179.992 177.584 0.107 0.000 1.186 247 A CA 1.658 53.774 52.037 0.131 0.000 0.620 247 A CB -1.171 17.915 19.000 0.142 0.000 0.822 247 A HN 0.507 nan 8.150 nan 0.000 0.443 248 L N -0.763 120.521 121.223 0.101 0.000 2.083 248 L HA -0.102 4.237 4.340 -0.001 0.000 0.209 248 L C 2.741 179.716 176.870 0.174 0.000 1.083 248 L CA 1.545 56.445 54.840 0.099 0.000 0.752 248 L CB -0.350 41.755 42.059 0.076 0.000 0.899 248 L HN 0.378 nan 8.230 nan 0.000 0.433 249 A N -0.272 122.654 122.820 0.176 0.000 1.883 249 A HA -0.266 4.054 4.320 -0.001 0.000 0.217 249 A C 2.117 179.847 177.584 0.243 0.000 1.186 249 A CA 2.042 54.222 52.037 0.240 0.000 0.624 249 A CB -0.624 18.451 19.000 0.126 0.000 0.822 249 A HN 0.601 nan 8.150 nan 0.000 0.444 250 E N -1.268 119.021 120.200 0.149 0.000 2.152 250 E HA -0.129 4.220 4.350 -0.001 0.000 0.192 250 E C 2.294 178.941 176.600 0.078 0.000 0.983 250 E CA 0.844 57.305 56.400 0.101 0.000 0.818 250 E CB -0.062 29.672 29.700 0.057 0.000 0.758 250 E HN 0.583 nan 8.360 nan 0.000 0.467 251 R N 0.800 121.340 120.500 0.068 0.000 2.075 251 R HA -0.059 4.281 4.340 -0.001 0.000 0.226 251 R C 1.560 177.840 176.300 -0.033 0.000 1.114 251 R CA 1.143 57.255 56.100 0.020 0.000 0.972 251 R CB 0.280 30.590 30.300 0.017 0.000 0.869 251 R HN 0.084 nan 8.270 nan 0.000 0.437 252 E N -1.349 118.819 120.200 -0.054 0.000 2.431 252 E HA 0.015 4.364 4.350 -0.001 0.000 0.200 252 E C -0.130 176.112 176.600 -0.596 0.000 0.995 252 E CA 0.284 56.477 56.400 -0.344 0.000 0.915 252 E CB 0.574 29.992 29.700 -0.470 0.000 0.930 252 E HN 0.257 nan 8.360 nan 0.000 0.496 253 F N 0.539 120.498 119.950 0.015 0.000 2.790 253 F HA 0.366 4.892 4.527 -0.001 0.000 0.371 253 F C 0.249 176.066 175.800 0.030 0.000 1.293 253 F CA -0.788 57.224 58.000 0.021 0.000 1.205 253 F CB 0.645 39.657 39.000 0.021 0.000 1.047 253 F HN -0.165 nan 8.300 nan 0.000 0.510 254 A N 0.203 123.096 122.820 0.121 0.000 2.498 254 A HA 0.435 4.754 4.320 -0.001 0.000 0.239 254 A C 1.558 179.201 177.584 0.097 0.000 1.068 254 A CA 0.933 53.028 52.037 0.098 0.000 0.766 254 A CB -0.392 18.640 19.000 0.053 0.000 1.003 254 A HN 1.246 nan 8.150 nan 0.000 0.497 255 G N 1.758 110.620 108.800 0.103 0.000 2.179 255 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.260 255 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.260 255 G C 0.843 175.805 174.900 0.104 0.000 0.977 255 G CA 0.929 46.085 45.100 0.093 0.000 0.641 255 G HN 0.877 nan 8.290 nan 0.000 0.533 256 R N -0.880 119.700 120.500 0.134 0.000 2.453 256 R HA 0.479 4.818 4.340 -0.001 0.000 0.233 256 R C 0.799 177.175 176.300 0.127 0.000 0.895 256 R CA 0.818 56.996 56.100 0.130 0.000 1.028 256 R CB 1.219 31.618 30.300 0.165 0.000 1.255 256 R HN 0.826 nan 8.270 nan 0.000 0.571 257 V N -2.591 117.413 119.914 0.151 0.000 3.074 257 V HA 0.674 4.794 4.120 -0.001 0.000 0.314 257 V C -1.383 174.846 176.094 0.225 0.000 1.117 257 V CA -1.141 61.250 62.300 0.151 0.000 1.014 257 V CB 2.270 34.156 31.823 0.105 0.000 1.057 257 V HN 0.002 nan 8.190 nan 0.000 0.438 258 F N 2.472 122.463 119.950 0.068 0.000 2.579 258 F HA 0.747 5.273 4.527 -0.001 0.000 0.325 258 F C 0.016 175.879 175.800 0.105 0.000 1.162 258 F CA 0.269 58.318 58.000 0.082 0.000 0.946 258 F CB 1.736 40.785 39.000 0.083 0.000 1.211 258 F HN 1.045 nan 8.300 nan 0.000 0.447 259 T N 1.130 115.433 114.554 -0.418 0.000 2.944 259 T HA 0.213 4.563 4.350 -0.001 0.000 0.284 259 T C 0.321 174.824 174.700 -0.328 0.000 1.010 259 T CA -0.410 61.550 62.100 -0.233 0.000 1.025 259 T CB 1.119 69.884 68.868 -0.171 0.000 1.079 259 T HN 0.678 nan 8.240 nan 0.000 0.516 260 W N 0.463 121.541 121.300 -0.371 0.000 2.800 260 W HA 0.232 4.892 4.660 -0.000 0.000 0.249 260 W C 2.563 178.772 176.519 -0.518 0.000 1.294 260 W CA -0.482 56.673 57.345 -0.318 0.000 1.402 260 W CB -0.733 28.687 29.460 -0.068 0.000 1.126 260 W HN 0.799 nan 8.180 nan 0.000 0.652 261 R N 0.385 120.487 120.500 -0.664 0.000 2.073 261 R HA -0.156 4.183 4.340 -0.001 0.000 0.229 261 R C 1.975 178.074 176.300 -0.335 0.000 1.120 261 R CA 1.652 57.415 56.100 -0.561 0.000 0.967 261 R CB -0.233 29.660 30.300 -0.678 0.000 0.862 261 R HN 0.169 nan 8.270 nan 0.000 0.436 262 Q N 0.186 119.751 119.800 -0.392 0.000 2.084 262 Q HA -0.189 4.150 4.340 -0.001 0.000 0.202 262 Q C 2.054 177.893 176.000 -0.269 0.000 0.978 262 Q CA 1.695 57.292 55.803 -0.344 0.000 0.844 262 Q CB -0.062 28.365 28.738 -0.518 0.000 0.898 262 Q HN 0.239 nan 8.270 nan 0.000 0.426 263 K N 0.604 120.804 120.400 -0.333 0.000 2.063 263 K HA -0.177 4.142 4.320 -0.001 0.000 0.208 263 K C 2.053 178.612 176.600 -0.068 0.000 1.048 263 K CA 1.203 57.456 56.287 -0.058 0.000 0.928 263 K CB -0.165 32.343 32.500 0.014 0.000 0.713 263 K HN 0.178 nan 8.250 nan 0.000 0.442 264 A N 1.060 123.808 122.820 -0.120 0.000 1.908 264 A HA -0.152 4.168 4.320 -0.001 0.000 0.218 264 A C 2.330 179.873 177.584 -0.067 0.000 1.181 264 A CA 2.016 53.994 52.037 -0.098 0.000 0.627 264 A CB -0.843 18.096 19.000 -0.103 0.000 0.818 264 A HN 0.512 nan 8.150 nan 0.000 0.445 265 A N -0.142 122.635 122.820 -0.071 0.000 1.902 265 A HA -0.079 4.241 4.320 -0.001 0.000 0.217 265 A C 2.090 179.662 177.584 -0.019 0.000 1.181 265 A CA 1.557 53.567 52.037 -0.044 0.000 0.623 265 A CB -0.603 18.368 19.000 -0.048 0.000 0.818 265 A HN 0.503 nan 8.150 nan 0.000 0.443 266 I N -0.313 120.256 120.570 -0.002 0.000 2.493 266 I HA -0.167 4.002 4.170 -0.001 0.000 0.254 266 I C 2.382 178.505 176.117 0.009 0.000 1.160 266 I CA 1.144 62.458 61.300 0.024 0.000 1.445 266 I CB -0.099 37.946 38.000 0.075 0.000 1.086 266 I HN 0.190 nan 8.210 nan 0.000 0.433 267 S N 0.163 115.858 115.700 -0.009 0.000 2.436 267 S HA -0.124 4.345 4.470 -0.001 0.000 0.228 267 S C 1.968 176.555 174.600 -0.021 0.000 1.014 267 S CA 0.928 59.115 58.200 -0.021 0.000 0.950 267 S CB -0.015 63.157 63.200 -0.046 0.000 0.784 267 S HN 0.351 nan 8.310 nan 0.000 0.504 268 K N 1.365 121.753 120.400 -0.021 0.000 2.021 268 K HA 0.093 4.413 4.320 -0.001 0.000 0.205 268 K C 2.120 178.714 176.600 -0.010 0.000 1.047 268 K CA 1.044 57.321 56.287 -0.017 0.000 0.943 268 K CB -0.262 32.227 32.500 -0.018 0.000 0.725 268 K HN 0.269 nan 8.250 nan 0.000 0.439 269 A N 0.689 123.505 122.820 -0.007 0.000 2.016 269 A HA -0.057 4.263 4.320 -0.001 0.000 0.217 269 A C 1.158 178.742 177.584 -0.001 0.000 1.162 269 A CA 1.202 53.237 52.037 -0.002 0.000 0.662 269 A CB -0.054 18.946 19.000 0.000 0.000 0.812 269 A HN 0.453 nan 8.150 nan 0.000 0.450 270 E N -1.814 118.386 120.200 -0.000 0.000 2.606 270 E HA 0.398 4.748 4.350 -0.001 0.000 0.224 270 E C 0.514 177.112 176.600 -0.003 0.000 0.930 270 E CA 0.139 56.540 56.400 0.001 0.000 1.125 270 E CB 0.853 30.556 29.700 0.006 0.000 1.123 270 E HN 0.632 nan 8.360 nan 0.000 0.522 271 G N 1.952 110.747 108.800 -0.007 0.000 2.662 271 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.686 271 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.686 271 G C -0.001 174.890 174.900 -0.015 0.000 1.271 271 G CA -0.422 44.671 45.100 -0.012 0.000 0.816 271 G HN 0.008 nan 8.290 nan 0.000 0.608 272 K N 0.385 120.771 120.400 -0.023 0.000 2.211 272 K HA 0.075 4.395 4.320 -0.001 0.000 0.203 272 K C 2.894 179.478 176.600 -0.026 0.000 1.050 272 K CA 1.589 57.857 56.287 -0.032 0.000 0.945 272 K CB -0.105 32.370 32.500 -0.042 0.000 0.732 272 K HN 0.739 nan 8.250 nan 0.000 0.451 273 A N 1.641 124.450 122.820 -0.019 0.000 1.898 273 A HA -0.089 4.231 4.320 -0.001 0.000 0.216 273 A C 2.379 179.956 177.584 -0.011 0.000 1.181 273 A CA 1.731 53.759 52.037 -0.016 0.000 0.620 273 A CB -0.535 18.457 19.000 -0.013 0.000 0.819 273 A HN 0.310 nan 8.150 nan 0.000 0.442 274 A N -0.527 122.289 122.820 -0.006 0.000 1.930 274 A HA 0.182 4.501 4.320 -0.001 0.000 0.217 274 A C 2.355 179.948 177.584 0.015 0.000 1.175 274 A CA 1.759 53.798 52.037 0.003 0.000 0.627 274 A CB -1.229 17.775 19.000 0.007 0.000 0.815 274 A HN 0.670 nan 8.150 nan 0.000 0.443 275 G N -0.732 108.077 108.800 0.015 0.000 2.402 275 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.216 275 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.216 275 G C 1.598 176.520 174.900 0.038 0.000 1.162 275 G CA 0.928 46.052 45.100 0.041 0.000 0.777 275 G HN 0.626 nan 8.290 nan 0.000 0.539 276 Q N -0.071 119.726 119.800 -0.004 0.000 2.119 276 Q HA -0.060 4.279 4.340 -0.001 0.000 0.201 276 Q C 2.451 178.436 176.000 -0.026 0.000 0.972 276 Q CA 1.344 57.138 55.803 -0.014 0.000 0.847 276 Q CB -0.146 28.577 28.738 -0.025 0.000 0.903 276 Q HN 0.518 nan 8.270 nan 0.000 0.433 277 K N 0.811 121.194 120.400 -0.028 0.000 2.026 277 K HA -0.150 4.170 4.320 -0.001 0.000 0.208 277 K C 2.076 178.624 176.600 -0.088 0.000 1.048 277 K CA 1.191 57.451 56.287 -0.045 0.000 0.929 277 K CB -0.164 32.319 32.500 -0.029 0.000 0.713 277 K HN 0.159 nan 8.250 nan 0.000 0.439 278 A N 1.177 123.948 122.820 -0.082 0.000 1.908 278 A HA -0.234 4.085 4.320 -0.001 0.000 0.218 278 A C 2.044 179.302 177.584 -0.544 0.000 1.181 278 A CA 1.912 53.840 52.037 -0.182 0.000 0.627 278 A CB -0.598 18.413 19.000 0.019 0.000 0.818 278 A HN 0.621 nan 8.150 nan 0.000 0.445 279 E N -0.468 119.495 120.200 -0.395 0.000 2.072 279 E HA -0.226 4.124 4.350 -0.001 0.000 0.191 279 E C 2.167 178.609 176.600 -0.264 0.000 0.985 279 E CA 1.151 57.293 56.400 -0.431 0.000 0.801 279 E CB -0.164 29.578 29.700 0.070 0.000 0.750 279 E HN 0.757 nan 8.360 nan 0.000 0.452 280 Q N -0.130 119.579 119.800 -0.151 0.000 2.061 280 Q HA -0.199 4.140 4.340 -0.001 0.000 0.204 280 Q C 2.357 178.285 176.000 -0.119 0.000 0.984 280 Q CA 1.316 57.063 55.803 -0.095 0.000 0.846 280 Q CB -0.030 28.671 28.738 -0.061 0.000 0.902 280 Q HN 0.252 nan 8.270 nan 0.000 0.421 281 Q N -0.341 119.364 119.800 -0.159 0.000 2.167 281 Q HA -0.068 4.271 4.340 -0.001 0.000 0.202 281 Q C 2.003 177.906 176.000 -0.162 0.000 0.970 281 Q CA 1.274 56.995 55.803 -0.137 0.000 0.855 281 Q CB -0.128 28.536 28.738 -0.123 0.000 0.911 281 Q HN 0.373 nan 8.270 nan 0.000 0.438 282 A N 0.547 123.191 122.820 -0.293 0.000 1.898 282 A HA -0.131 4.188 4.320 -0.001 0.000 0.216 282 A C 2.103 179.623 177.584 -0.107 0.000 1.181 282 A CA 0.969 52.853 52.037 -0.256 0.000 0.620 282 A CB -0.557 18.106 19.000 -0.561 0.000 0.819 282 A HN 0.324 nan 8.150 nan 0.000 0.442 283 I N -0.409 120.102 120.570 -0.098 0.000 2.315 283 I HA -0.233 3.936 4.170 -0.001 0.000 0.248 283 I C 2.874 178.976 176.117 -0.025 0.000 1.117 283 I CA 0.912 62.194 61.300 -0.031 0.000 1.404 283 I CB -0.182 37.808 38.000 -0.016 0.000 1.071 283 I HN 0.360 nan 8.210 nan 0.000 0.419 284 A N 0.083 122.878 122.820 -0.041 0.000 1.929 284 A HA -0.191 4.129 4.320 -0.001 0.000 0.216 284 A C 1.843 179.415 177.584 -0.020 0.000 1.176 284 A CA 1.594 53.614 52.037 -0.028 0.000 0.628 284 A CB -0.415 18.564 19.000 -0.035 0.000 0.816 284 A HN 0.288 nan 8.150 nan 0.000 0.444 285 D N -0.863 119.521 120.400 -0.027 0.000 2.371 285 D HA 0.165 4.804 4.640 -0.001 0.000 0.221 285 D C 1.339 177.642 176.300 0.004 0.000 0.986 285 D CA 1.217 55.210 54.000 -0.012 0.000 0.899 285 D CB -0.146 40.646 40.800 -0.014 0.000 0.902 285 D HN 0.621 nan 8.370 nan 0.000 0.530 286 G N 0.823 109.626 108.800 0.005 0.000 2.149 286 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.235 286 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.235 286 G C 0.202 175.120 174.900 0.031 0.000 1.018 286 G CA -0.202 44.908 45.100 0.016 0.000 0.728 286 G HN 0.138 nan 8.290 nan 0.000 0.508 287 K N -0.307 120.116 120.400 0.037 0.000 2.144 287 K HA 0.519 4.839 4.320 -0.001 0.000 0.270 287 K C 0.339 176.984 176.600 0.075 0.000 1.005 287 K CA -0.968 55.361 56.287 0.069 0.000 0.932 287 K CB 1.922 34.484 32.500 0.103 0.000 1.021 287 K HN 0.313 nan 8.250 nan 0.000 0.462 288 L N 3.587 124.855 121.223 0.074 0.000 2.360 288 L HA 0.178 4.518 4.340 -0.001 0.000 0.276 288 L C -0.454 176.470 176.870 0.089 0.000 1.121 288 L CA -0.087 54.786 54.840 0.055 0.000 0.845 288 L CB 0.237 42.301 42.059 0.009 0.000 1.143 288 L HN 0.339 nan 8.230 nan 0.000 0.452 289 I N 6.568 127.190 120.570 0.086 0.000 2.441 289 I HA 0.196 4.366 4.170 -0.001 0.000 0.287 289 I C 0.048 176.170 176.117 0.009 0.000 1.049 289 I CA -0.256 61.113 61.300 0.114 0.000 1.381 289 I CB 0.817 38.887 38.000 0.116 0.000 1.409 289 I HN 0.425 nan 8.210 nan 0.000 0.523 290 I N 7.098 127.673 120.570 0.008 0.000 2.354 290 I HA 0.334 4.504 4.170 -0.001 0.000 0.286 290 I C 0.380 176.419 176.117 -0.130 0.000 1.007 290 I CA -0.571 60.708 61.300 -0.036 0.000 1.167 290 I CB 0.795 38.840 38.000 0.074 0.000 1.320 290 I HN 0.612 nan 8.210 nan 0.000 0.458 291 K N 5.565 125.729 120.400 -0.394 0.000 2.279 291 K HA 0.767 5.087 4.320 -0.001 0.000 0.238 291 K C -1.176 175.202 176.600 -0.370 0.000 1.084 291 K CA -0.837 54.920 56.287 -0.883 0.000 0.885 291 K CB 2.708 34.076 32.500 -1.887 0.000 1.319 291 K HN 0.526 nan 8.250 nan 0.000 0.494 292 D N -0.676 119.581 120.400 -0.239 0.000 2.661 292 D HA 0.431 5.071 4.640 -0.001 0.000 0.228 292 D C -1.210 175.217 176.300 0.211 0.000 1.210 292 D CA -0.672 53.375 54.000 0.078 0.000 0.826 292 D CB 2.250 43.198 40.800 0.246 0.000 1.542 292 D HN 0.290 nan 8.370 nan 0.000 0.447 293 V N 1.063 121.049 119.914 0.120 0.000 2.777 293 V HA 0.298 4.417 4.120 -0.001 0.000 0.306 293 V C 0.273 176.240 176.094 -0.212 0.000 1.112 293 V CA -0.913 61.442 62.300 0.092 0.000 0.917 293 V CB 1.811 33.760 31.823 0.211 0.000 1.018 293 V HN 0.578 nan 8.190 nan 0.000 0.426 294 I N 3.095 123.554 120.570 -0.185 0.000 2.648 294 I HA 0.131 4.301 4.170 -0.001 0.000 0.284 294 I C 1.881 177.898 176.117 -0.166 0.000 1.153 294 I CA 0.418 61.517 61.300 -0.335 0.000 1.426 294 I CB 1.209 39.130 38.000 -0.131 0.000 1.381 294 I HN 0.891 nan 8.210 nan 0.000 0.571 295 A N 5.432 128.126 122.820 -0.211 0.000 1.927 295 A HA -0.272 4.048 4.320 -0.001 0.000 0.220 295 A C 1.902 179.507 177.584 0.035 0.000 1.185 295 A CA 2.284 54.271 52.037 -0.084 0.000 0.639 295 A CB -0.592 18.342 19.000 -0.110 0.000 0.820 295 A HN 0.918 nan 8.150 nan 0.000 0.451 296 D N -0.246 120.161 120.400 0.012 0.000 2.103 296 D HA -0.176 4.464 4.640 -0.001 0.000 0.199 296 D C 1.596 177.922 176.300 0.044 0.000 0.978 296 D CA 1.491 55.511 54.000 0.035 0.000 0.829 296 D CB -1.032 39.781 40.800 0.021 0.000 0.981 296 D HN 0.437 nan 8.370 nan 0.000 0.464 297 N N -0.380 118.348 118.700 0.047 0.000 2.223 297 N HA -0.185 4.555 4.740 -0.001 0.000 0.185 297 N C 1.467 177.019 175.510 0.070 0.000 1.016 297 N CA 0.658 53.743 53.050 0.059 0.000 0.863 297 N CB -0.609 37.924 38.487 0.077 0.000 0.983 297 N HN 0.177 nan 8.380 nan 0.000 0.429 298 F N 0.867 120.770 119.950 -0.079 0.000 2.134 298 F HA -0.004 4.522 4.527 -0.001 0.000 0.299 298 F C 1.889 177.609 175.800 -0.134 0.000 1.097 298 F CA 1.098 59.008 58.000 -0.149 0.000 1.264 298 F CB -0.318 38.573 39.000 -0.183 0.000 1.001 298 F HN 0.063 nan 8.300 nan 0.000 0.479 299 L N -0.034 121.170 121.223 -0.032 0.000 2.083 299 L HA -0.259 4.081 4.340 -0.001 0.000 0.209 299 L C 2.622 179.406 176.870 -0.143 0.000 1.083 299 L CA 1.855 56.633 54.840 -0.103 0.000 0.752 299 L CB -0.822 41.242 42.059 0.009 0.000 0.899 299 L HN 0.313 nan 8.230 nan 0.000 0.433 300 Q N -0.468 119.279 119.800 -0.088 0.000 2.079 300 Q HA -0.224 4.116 4.340 -0.001 0.000 0.200 300 Q C 2.218 178.161 176.000 -0.095 0.000 0.974 300 Q CA 1.226 56.990 55.803 -0.064 0.000 0.840 300 Q CB 0.089 28.817 28.738 -0.017 0.000 0.898 300 Q HN 0.454 nan 8.270 nan 0.000 0.430 301 Q N 0.737 120.456 119.800 -0.135 0.000 2.119 301 Q HA -0.136 4.203 4.340 -0.001 0.000 0.201 301 Q C 2.230 178.114 176.000 -0.193 0.000 0.972 301 Q CA 1.480 57.223 55.803 -0.099 0.000 0.847 301 Q CB -0.401 28.330 28.738 -0.012 0.000 0.903 301 Q HN 0.718 nan 8.270 nan 0.000 0.433 302 I N -3.129 117.152 120.570 -0.483 0.000 3.001 302 I HA -0.110 4.059 4.170 -0.001 0.000 0.268 302 I C 1.722 177.735 176.117 -0.174 0.000 1.267 302 I CA 0.772 61.825 61.300 -0.412 0.000 1.472 302 I CB -0.254 37.374 38.000 -0.620 0.000 1.089 302 I HN 0.005 nan 8.210 nan 0.000 0.468 303 L N 0.212 121.355 121.223 -0.134 0.000 2.253 303 L HA 0.109 4.448 4.340 -0.001 0.000 0.205 303 L C 2.449 179.301 176.870 -0.030 0.000 1.078 303 L CA 0.542 55.341 54.840 -0.068 0.000 0.805 303 L CB -0.132 41.891 42.059 -0.060 0.000 0.963 303 L HN 0.231 nan 8.230 nan 0.000 0.459 304 L N 0.063 121.273 121.223 -0.021 0.000 2.095 304 L HA -0.026 4.313 4.340 -0.001 0.000 0.204 304 L C 0.898 177.782 176.870 0.024 0.000 1.080 304 L CA 0.823 55.667 54.840 0.007 0.000 0.759 304 L CB -0.083 41.985 42.059 0.016 0.000 0.914 304 L HN 0.332 nan 8.230 nan 0.000 0.439 305 R N -1.139 119.390 120.500 0.048 0.000 2.754 305 R HA 0.255 4.595 4.340 -0.001 0.000 0.255 305 R C -2.590 173.790 176.300 0.134 0.000 1.723 305 R CA -1.223 54.918 56.100 0.068 0.000 1.596 305 R CB 0.213 30.550 30.300 0.061 0.000 1.424 305 R HN -0.119 nan 8.270 nan 0.000 0.662 306 P HA -0.216 nan 4.420 nan 0.000 0.220 306 P C 1.000 178.397 177.300 0.161 0.000 1.148 306 P CA 1.170 64.358 63.100 0.147 0.000 0.803 306 P CB 0.240 31.972 31.700 0.053 0.000 0.782 307 E N 0.258 120.501 120.200 0.072 0.000 2.331 307 E HA -0.196 4.154 4.350 -0.001 0.000 0.199 307 E C 0.368 176.960 176.600 -0.015 0.000 1.008 307 E CA 1.142 57.560 56.400 0.030 0.000 0.843 307 E CB -0.960 28.740 29.700 -0.000 0.000 0.761 307 E HN 0.209 nan 8.360 nan 0.000 0.507 308 D N -0.416 119.935 120.400 -0.083 0.000 2.340 308 D HA 0.105 4.744 4.640 -0.001 0.000 0.220 308 D C -0.645 175.287 176.300 -0.613 0.000 1.039 308 D CA 0.301 54.102 54.000 -0.332 0.000 0.866 308 D CB -0.056 40.471 40.800 -0.454 0.000 0.913 308 D HN 0.198 nan 8.370 nan 0.000 0.523 309 Y N -1.069 119.271 120.300 0.067 0.000 2.536 309 Y HA 0.464 5.013 4.550 -0.001 0.000 0.347 309 Y C 1.050 177.005 175.900 0.091 0.000 1.000 309 Y CA -0.770 57.389 58.100 0.098 0.000 1.051 309 Y CB 2.124 40.669 38.460 0.141 0.000 1.259 309 Y HN -0.324 nan 8.280 nan 0.000 0.468 310 S N 0.038 115.886 115.700 0.246 0.000 3.884 310 S HA 0.371 4.840 4.470 -0.001 0.000 0.174 310 S C -0.733 173.984 174.600 0.195 0.000 0.872 310 S CA 0.062 58.370 58.200 0.180 0.000 1.015 310 S CB -0.128 63.148 63.200 0.128 0.000 1.395 310 S HN 0.247 nan 8.310 nan 0.000 0.737 311 V N 2.682 122.701 119.914 0.174 0.000 2.539 311 V HA 0.676 4.795 4.120 -0.001 0.000 0.292 311 V C -0.676 175.498 176.094 0.135 0.000 1.045 311 V CA -0.458 61.943 62.300 0.167 0.000 0.945 311 V CB 1.414 33.326 31.823 0.148 0.000 0.993 311 V HN 0.409 nan 8.190 nan 0.000 0.464 312 V N 3.179 123.175 119.914 0.137 0.000 2.656 312 V HA 0.815 4.935 4.120 -0.001 0.000 0.307 312 V C 0.067 176.206 176.094 0.075 0.000 1.051 312 V CA -0.571 61.766 62.300 0.062 0.000 0.893 312 V CB 1.873 33.723 31.823 0.044 0.000 0.999 312 V HN 1.002 nan 8.190 nan 0.000 0.426 313 A N 3.024 125.861 122.820 0.028 0.000 2.304 313 A HA 0.892 5.211 4.320 -0.001 0.000 0.314 313 A C -0.288 177.384 177.584 0.145 0.000 1.187 313 A CA -0.407 51.708 52.037 0.129 0.000 0.810 313 A CB 1.705 20.764 19.000 0.099 0.000 1.183 313 A HN 0.813 nan 8.150 nan 0.000 0.487 314 T N 1.472 116.048 114.554 0.037 0.000 2.762 314 T HA 0.571 4.920 4.350 -0.001 0.000 0.301 314 T C -0.688 173.706 174.700 -0.511 0.000 1.299 314 T CA -0.431 61.468 62.100 -0.335 0.000 1.005 314 T CB 0.428 69.120 68.868 -0.293 0.000 1.377 314 T HN 0.474 nan 8.240 nan 0.000 0.504 315 L N 2.420 123.207 121.223 -0.727 0.000 2.479 315 L HA 0.426 4.766 4.340 -0.001 0.000 0.248 315 L C 2.150 178.824 176.870 -0.326 0.000 1.205 315 L CA -0.227 54.292 54.840 -0.535 0.000 0.817 315 L CB 0.156 41.913 42.059 -0.504 0.000 1.162 315 L HN 0.633 nan 8.230 nan 0.000 0.486 316 N N 0.057 118.586 118.700 -0.285 0.000 2.025 316 N HA -0.193 4.547 4.740 -0.001 0.000 0.194 316 N C 1.655 176.901 175.510 -0.440 0.000 1.044 316 N CA 1.678 54.486 53.050 -0.403 0.000 0.851 316 N CB -0.253 37.952 38.487 -0.471 0.000 1.036 316 N HN 0.596 nan 8.380 nan 0.000 0.422 317 L N 0.966 122.027 121.223 -0.269 0.000 2.017 317 L HA -0.161 4.179 4.340 -0.001 0.000 0.208 317 L C 1.740 178.400 176.870 -0.351 0.000 1.073 317 L CA 1.377 56.111 54.840 -0.177 0.000 0.745 317 L CB -0.463 41.511 42.059 -0.141 0.000 0.894 317 L HN 0.148 nan 8.230 nan 0.000 0.432 318 N N 0.517 119.024 118.700 -0.321 0.000 2.104 318 N HA -0.162 4.578 4.740 -0.001 0.000 0.190 318 N C 1.726 177.155 175.510 -0.135 0.000 1.024 318 N CA 1.505 54.400 53.050 -0.258 0.000 0.853 318 N CB -0.897 37.440 38.487 -0.250 0.000 1.008 318 N HN 0.528 nan 8.380 nan 0.000 0.424 319 G N 0.595 109.298 108.800 -0.161 0.000 2.440 319 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.218 319 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.218 319 G C 1.353 176.239 174.900 -0.023 0.000 1.154 319 G CA 1.211 46.251 45.100 -0.100 0.000 0.767 319 G HN 0.360 nan 8.290 nan 0.000 0.552 320 D N -0.608 119.784 120.400 -0.013 0.000 2.097 320 D HA -0.148 4.492 4.640 -0.001 0.000 0.195 320 D C 2.147 178.616 176.300 0.281 0.000 0.989 320 D CA 0.908 54.984 54.000 0.127 0.000 0.827 320 D CB -0.245 40.691 40.800 0.226 0.000 0.966 320 D HN 0.299 nan 8.370 nan 0.000 0.456 321 Y N 0.192 120.499 120.300 0.012 0.000 2.200 321 Y HA -0.051 4.498 4.550 -0.001 0.000 0.290 321 Y C 2.662 178.576 175.900 0.023 0.000 1.137 321 Y CA 0.310 58.422 58.100 0.019 0.000 1.163 321 Y CB -1.024 37.447 38.460 0.019 0.000 0.988 321 Y HN -0.064 nan 8.280 nan 0.000 0.518 322 V N -0.809 119.226 119.914 0.202 0.000 2.407 322 V HA -0.270 3.849 4.120 -0.001 0.000 0.248 322 V C 2.298 178.455 176.094 0.105 0.000 1.055 322 V CA 2.026 64.420 62.300 0.156 0.000 1.049 322 V CB -0.876 31.057 31.823 0.183 0.000 0.662 322 V HN 0.345 nan 8.190 nan 0.000 0.455 323 S N -0.020 115.730 115.700 0.084 0.000 2.368 323 S HA -0.236 4.233 4.470 -0.001 0.000 0.225 323 S C 1.679 176.310 174.600 0.052 0.000 1.030 323 S CA 1.861 60.095 58.200 0.056 0.000 0.999 323 S CB -0.383 62.838 63.200 0.035 0.000 0.844 323 S HN 0.658 nan 8.310 nan 0.000 0.459 324 D N 1.283 121.714 120.400 0.051 0.000 2.149 324 D HA 0.125 4.764 4.640 -0.001 0.000 0.201 324 D C 2.115 178.426 176.300 0.018 0.000 0.972 324 D CA 1.015 55.032 54.000 0.028 0.000 0.835 324 D CB -0.281 40.521 40.800 0.002 0.000 0.966 324 D HN 0.362 nan 8.370 nan 0.000 0.476 325 A N 0.233 123.065 122.820 0.020 0.000 1.898 325 A HA -0.096 4.224 4.320 -0.001 0.000 0.216 325 A C 2.172 179.759 177.584 0.005 0.000 1.181 325 A CA 0.855 52.894 52.037 0.003 0.000 0.620 325 A CB -0.747 18.252 19.000 -0.001 0.000 0.819 325 A HN 0.193 nan 8.150 nan 0.000 0.442 326 L N -0.801 120.434 121.223 0.019 0.000 2.046 326 L HA -0.193 4.147 4.340 -0.001 0.000 0.208 326 L C 3.130 180.028 176.870 0.045 0.000 1.077 326 L CA 1.022 55.877 54.840 0.025 0.000 0.747 326 L CB -0.528 41.557 42.059 0.043 0.000 0.896 326 L HN 0.454 nan 8.230 nan 0.000 0.432 327 A N 0.058 122.908 122.820 0.051 0.000 1.908 327 A HA -0.243 4.077 4.320 -0.001 0.000 0.218 327 A C 2.514 180.132 177.584 0.057 0.000 1.181 327 A CA 1.852 53.928 52.037 0.064 0.000 0.627 327 A CB -0.763 18.272 19.000 0.059 0.000 0.818 327 A HN 0.432 nan 8.150 nan 0.000 0.445 328 A N -0.169 122.672 122.820 0.034 0.000 1.940 328 A HA -0.212 4.107 4.320 -0.001 0.000 0.219 328 A C 1.871 179.474 177.584 0.031 0.000 1.176 328 A CA 1.685 53.736 52.037 0.023 0.000 0.631 328 A CB -0.573 18.429 19.000 0.003 0.000 0.814 328 A HN 0.674 nan 8.150 nan 0.000 0.446 329 E N -0.433 119.785 120.200 0.031 0.000 2.153 329 E HA -0.115 4.235 4.350 -0.001 0.000 0.194 329 E C 1.308 177.949 176.600 0.069 0.000 0.988 329 E CA 1.515 57.931 56.400 0.025 0.000 0.811 329 E CB -0.237 29.468 29.700 0.008 0.000 0.746 329 E HN 0.673 nan 8.360 nan 0.000 0.466 330 V N -3.496 116.498 119.914 0.133 0.000 3.043 330 V HA 0.568 4.687 4.120 -0.001 0.000 0.357 330 V C 0.809 177.034 176.094 0.218 0.000 1.372 330 V CA 0.227 62.689 62.300 0.269 0.000 1.214 330 V CB 0.156 32.181 31.823 0.336 0.000 1.224 330 V HN 0.248 nan 8.190 nan 0.000 0.507 331 G N -1.566 107.310 108.800 0.127 0.000 2.211 331 G HA2 0.334 4.294 3.960 -0.001 0.000 0.201 331 G HA3 0.334 4.294 3.960 -0.001 0.000 0.201 331 G C 1.015 175.930 174.900 0.026 0.000 0.997 331 G CA 0.037 45.179 45.100 0.071 0.000 0.652 331 G HN 2.346 nan 8.290 nan 0.000 0.500 332 G N -0.620 108.201 108.800 0.036 0.000 2.462 332 G HA2 0.247 4.206 3.960 -0.001 0.000 0.685 332 G HA3 0.247 4.206 3.960 -0.001 0.000 0.685 332 G C 0.678 175.594 174.900 0.028 0.000 1.295 332 G CA -0.039 45.071 45.100 0.016 0.000 0.941 332 G HN 1.564 nan 8.290 nan 0.000 0.554 333 I N -1.251 119.337 120.570 0.029 0.000 3.550 333 I HA 0.343 4.513 4.170 -0.001 0.000 0.295 333 I C 1.735 177.906 176.117 0.091 0.000 1.291 333 I CA 1.124 62.466 61.300 0.070 0.000 1.298 333 I CB -0.377 37.677 38.000 0.090 0.000 1.026 333 I HN 0.681 nan 8.210 nan 0.000 0.491 334 G N 1.350 110.151 108.800 0.003 0.000 2.920 334 G HA2 0.133 4.092 3.960 -0.001 0.000 0.208 334 G HA3 0.133 4.092 3.960 -0.001 0.000 0.208 334 G C 0.954 175.841 174.900 -0.022 0.000 1.159 334 G CA -0.009 45.064 45.100 -0.044 0.000 0.784 334 G HN 0.313 nan 8.290 nan 0.000 0.535 335 M N 1.019 120.626 119.600 0.013 0.000 3.075 335 M HA 0.490 4.970 4.480 -0.001 0.000 0.340 335 M C -0.198 176.159 176.300 0.095 0.000 1.329 335 M CA -0.631 54.677 55.300 0.013 0.000 0.778 335 M CB 0.747 33.354 32.600 0.012 0.000 1.389 335 M HN 0.082 nan 8.290 nan 0.000 0.499 336 A N 2.247 125.126 122.820 0.099 0.000 2.745 336 A HA 0.728 5.048 4.320 -0.001 0.000 0.301 336 A C -2.740 174.891 177.584 0.077 0.000 1.188 336 A CA -0.899 51.197 52.037 0.098 0.000 0.746 336 A CB 1.269 20.319 19.000 0.083 0.000 1.207 336 A HN 0.124 nan 8.150 nan 0.000 0.432 337 P HA 0.632 nan 4.420 nan 0.000 0.278 337 P C 0.241 177.562 177.300 0.035 0.000 1.266 337 P CA -0.043 63.099 63.100 0.069 0.000 0.807 337 P CB 1.969 33.731 31.700 0.103 0.000 1.094 338 G N -1.452 107.370 108.800 0.036 0.000 2.646 338 G HA2 0.619 4.579 3.960 -0.001 0.000 0.291 338 G HA3 0.619 4.579 3.960 -0.001 0.000 0.291 338 G C -2.113 172.790 174.900 0.005 0.000 1.445 338 G CA -0.456 44.635 45.100 -0.014 0.000 0.814 338 G HN 0.577 nan 8.290 nan 0.000 0.495 339 A N 0.549 123.297 122.820 -0.120 0.000 2.455 339 A HA 0.778 5.097 4.320 -0.001 0.000 0.300 339 A C -0.937 176.432 177.584 -0.360 0.000 1.040 339 A CA -0.861 50.990 52.037 -0.309 0.000 0.697 339 A CB 1.499 20.300 19.000 -0.333 0.000 1.265 339 A HN 0.514 nan 8.150 nan 0.000 0.407 340 N N 1.895 120.346 118.700 -0.415 0.000 2.437 340 N HA 0.559 5.298 4.740 -0.001 0.000 0.259 340 N C -1.339 173.950 175.510 -0.369 0.000 0.983 340 N CA -0.037 52.823 53.050 -0.318 0.000 0.937 340 N CB 1.504 39.853 38.487 -0.229 0.000 1.122 340 N HN 0.559 nan 8.380 nan 0.000 0.499 341 L N 1.045 122.072 121.223 -0.327 0.000 2.386 341 L HA 0.437 4.777 4.340 -0.001 0.000 0.271 341 L C 0.754 177.442 176.870 -0.304 0.000 0.993 341 L CA -0.624 54.038 54.840 -0.297 0.000 0.819 341 L CB 1.926 43.825 42.059 -0.267 0.000 1.294 341 L HN 0.493 nan 8.230 nan 0.000 0.414 342 S N -0.510 115.099 115.700 -0.151 0.000 2.618 342 S HA 0.367 4.837 4.470 -0.001 0.000 0.284 342 S C 0.235 174.846 174.600 0.017 0.000 1.102 342 S CA -0.588 57.574 58.200 -0.064 0.000 0.984 342 S CB 1.071 64.332 63.200 0.101 0.000 1.280 342 S HN 0.587 nan 8.310 nan 0.000 0.525 343 D N 0.638 121.146 120.400 0.180 0.000 2.348 343 D HA 0.132 4.771 4.640 -0.001 0.000 0.211 343 D C 1.508 177.904 176.300 0.159 0.000 0.998 343 D CA 1.430 55.535 54.000 0.176 0.000 0.873 343 D CB 0.100 41.025 40.800 0.208 0.000 0.925 343 D HN 0.763 nan 8.370 nan 0.000 0.524 344 T N -3.682 110.990 114.554 0.197 0.000 2.980 344 T HA 0.124 4.474 4.350 -0.001 0.000 0.252 344 T C 0.526 175.312 174.700 0.144 0.000 0.962 344 T CA -0.091 62.132 62.100 0.206 0.000 0.932 344 T CB 0.630 69.687 68.868 0.315 0.000 1.188 344 T HN -0.076 nan 8.240 nan 0.000 0.500 345 H N 0.949 120.045 119.070 0.044 0.000 2.771 345 H HA 0.885 5.441 4.556 0.000 0.000 0.367 345 H C -0.710 174.564 175.328 -0.090 0.000 1.172 345 H CA -0.347 55.708 56.048 0.011 0.000 1.186 345 H CB 1.951 31.712 29.762 -0.002 0.000 1.790 345 H HN 0.508 nan 8.280 nan 0.000 0.556 346 A N 1.652 124.431 122.820 -0.069 0.000 2.488 346 A HA 0.577 4.897 4.320 -0.001 0.000 0.295 346 A C -1.396 175.968 177.584 -0.368 0.000 1.045 346 A CA -0.516 51.289 52.037 -0.387 0.000 0.703 346 A CB 0.867 19.417 19.000 -0.750 0.000 1.271 346 A HN 0.574 nan 8.150 nan 0.000 0.400 347 I N 2.487 122.782 120.570 -0.459 0.000 2.410 347 I HA 0.371 4.540 4.170 -0.001 0.000 0.286 347 I C -1.166 174.690 176.117 -0.436 0.000 1.009 347 I CA -0.311 60.820 61.300 -0.282 0.000 1.111 347 I CB 1.348 39.270 38.000 -0.130 0.000 1.262 347 I HN 0.584 nan 8.210 nan 0.000 0.443 348 F N 4.779 124.697 119.950 -0.053 0.000 2.384 348 F HA 0.490 5.016 4.527 -0.002 0.000 0.338 348 F C 0.514 176.294 175.800 -0.032 0.000 1.103 348 F CA -0.194 57.776 58.000 -0.050 0.000 1.157 348 F CB 1.013 39.993 39.000 -0.033 0.000 1.167 348 F HN 0.434 nan 8.300 nan 0.000 0.529 349 E N 1.832 122.083 120.200 0.086 0.000 2.422 349 E HA 0.568 4.918 4.350 -0.001 0.000 0.289 349 E C -1.618 174.953 176.600 -0.048 0.000 0.985 349 E CA -0.866 55.534 56.400 0.001 0.000 0.812 349 E CB 1.492 31.164 29.700 -0.046 0.000 1.226 349 E HN 0.746 nan 8.360 nan 0.000 0.419 350 A N 2.467 125.210 122.820 -0.129 0.000 2.406 350 A HA 0.225 4.544 4.320 -0.001 0.000 0.243 350 A C 1.006 178.457 177.584 -0.223 0.000 1.082 350 A CA 0.471 52.382 52.037 -0.210 0.000 0.786 350 A CB 0.457 19.158 19.000 -0.497 0.000 1.029 350 A HN 0.740 nan 8.150 nan 0.000 0.495 351 T N 0.542 115.021 114.554 -0.126 0.000 2.915 351 T HA -0.027 4.322 4.350 -0.001 0.000 0.269 351 T C 0.834 175.502 174.700 -0.054 0.000 1.071 351 T CA 1.972 64.035 62.100 -0.062 0.000 1.132 351 T CB -0.624 68.248 68.868 0.007 0.000 0.878 351 T HN 0.941 nan 8.240 nan 0.000 0.479 352 H N -0.198 118.878 119.070 0.011 0.000 2.597 352 H HA 0.621 5.177 4.556 -0.001 0.000 0.370 352 H C 0.811 176.144 175.328 0.009 0.000 1.281 352 H CA -0.582 55.470 56.048 0.006 0.000 1.422 352 H CB 0.149 29.909 29.762 -0.003 0.000 1.524 352 H HN 0.062 nan 8.280 nan 0.000 0.607 353 G N -1.102 107.842 108.800 0.240 0.000 2.641 353 G HA2 0.256 4.216 3.960 -0.001 0.000 0.239 353 G HA3 0.256 4.216 3.960 -0.001 0.000 0.239 353 G C 0.701 175.730 174.900 0.215 0.000 1.402 353 G CA -0.269 44.928 45.100 0.161 0.000 1.046 353 G HN 0.900 nan 8.290 nan 0.000 0.565 354 T N -2.641 111.978 114.554 0.108 0.000 3.113 354 T HA 0.346 4.696 4.350 -0.001 0.000 0.256 354 T C 1.450 176.176 174.700 0.044 0.000 1.131 354 T CA 1.211 63.361 62.100 0.083 0.000 1.074 354 T CB -0.273 68.628 68.868 0.055 0.000 0.944 354 T HN 2.022 nan 8.240 nan 0.000 0.516 355 A N 2.863 125.699 122.820 0.028 0.000 2.312 355 A HA -0.082 4.238 4.320 -0.001 0.000 0.286 355 A C -0.414 177.163 177.584 -0.012 0.000 1.425 355 A CA 0.492 52.522 52.037 -0.012 0.000 0.748 355 A CB -1.670 17.294 19.000 -0.060 0.000 1.126 355 A HN 0.516 nan 8.150 nan 0.000 0.368 356 P HA -0.195 nan 4.420 nan 0.000 0.219 356 P C 0.927 178.220 177.300 -0.011 0.000 1.146 356 P CA 1.595 64.693 63.100 -0.003 0.000 0.808 356 P CB -0.114 31.586 31.700 -0.000 0.000 0.779 357 D N 0.621 121.011 120.400 -0.018 0.000 2.312 357 D HA -0.129 4.510 4.640 -0.001 0.000 0.211 357 D C 1.647 177.931 176.300 -0.026 0.000 0.964 357 D CA 0.791 54.778 54.000 -0.022 0.000 0.877 357 D CB -0.973 39.812 40.800 -0.025 0.000 0.924 357 D HN 0.391 nan 8.370 nan 0.000 0.515 358 I N -4.347 116.204 120.570 -0.031 0.000 4.338 358 I HA 0.512 4.682 4.170 -0.001 0.000 0.329 358 I C 0.520 176.620 176.117 -0.029 0.000 1.378 358 I CA -0.832 60.447 61.300 -0.035 0.000 1.170 358 I CB 0.341 38.310 38.000 -0.052 0.000 1.206 358 I HN -0.078 nan 8.210 nan 0.000 0.432 359 A N 1.698 124.506 122.820 -0.020 0.000 2.498 359 A HA 0.476 4.796 4.320 -0.001 0.000 0.239 359 A C 1.556 179.135 177.584 -0.007 0.000 1.068 359 A CA 0.839 52.870 52.037 -0.010 0.000 0.766 359 A CB -0.459 18.542 19.000 0.001 0.000 1.003 359 A HN 1.258 nan 8.150 nan 0.000 0.497 360 G N 1.007 109.805 108.800 -0.004 0.000 2.179 360 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.260 360 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.260 360 G C 0.502 175.398 174.900 -0.007 0.000 0.977 360 G CA 0.783 45.882 45.100 -0.002 0.000 0.641 360 G HN 0.839 nan 8.290 nan 0.000 0.533 361 Q N -0.455 119.338 119.800 -0.013 0.000 2.247 361 Q HA 0.429 4.769 4.340 -0.001 0.000 0.211 361 Q C 1.663 177.652 176.000 -0.018 0.000 0.861 361 Q CA 0.244 56.038 55.803 -0.016 0.000 0.949 361 Q CB 0.848 29.573 28.738 -0.021 0.000 1.115 361 Q HN 1.418 nan 8.270 nan 0.000 0.507 362 G N 2.144 110.934 108.800 -0.017 0.000 2.356 362 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.296 362 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.296 362 G C 0.520 175.406 174.900 -0.024 0.000 1.022 362 G CA 0.969 46.059 45.100 -0.016 0.000 0.961 362 G HN 0.320 nan 8.290 nan 0.000 0.510 363 K N -0.462 119.915 120.400 -0.039 0.000 2.399 363 K HA 0.493 4.812 4.320 -0.001 0.000 0.196 363 K C 1.660 178.209 176.600 -0.086 0.000 1.103 363 K CA 0.353 56.606 56.287 -0.057 0.000 0.986 363 K CB 0.566 33.031 32.500 -0.058 0.000 0.952 363 K HN 0.602 nan 8.250 nan 0.000 0.541 364 A N 2.450 125.217 122.820 -0.089 0.000 2.565 364 A HA -0.051 4.268 4.320 -0.001 0.000 0.237 364 A C 0.038 177.533 177.584 -0.148 0.000 1.053 364 A CA -0.007 51.950 52.037 -0.132 0.000 0.755 364 A CB -0.095 18.827 19.000 -0.131 0.000 0.980 364 A HN 0.213 nan 8.150 nan 0.000 0.506 365 N N 2.945 121.519 118.700 -0.209 0.000 2.416 365 N HA 0.166 4.906 4.740 -0.001 0.000 0.265 365 N C -1.658 173.772 175.510 -0.135 0.000 1.195 365 N CA -1.846 51.055 53.050 -0.249 0.000 0.943 365 N CB 0.987 39.301 38.487 -0.288 0.000 1.115 365 N HN 0.370 nan 8.380 nan 0.000 0.481 366 P HA 0.091 nan 4.420 nan 0.000 0.255 366 P C 0.622 177.984 177.300 0.104 0.000 1.248 366 P CA 0.134 63.276 63.100 0.069 0.000 0.807 366 P CB 0.420 32.187 31.700 0.112 0.000 1.150 367 S N 0.333 116.072 115.700 0.066 0.000 2.370 367 S HA -0.127 4.343 4.470 -0.001 0.000 0.226 367 S C 2.096 176.726 174.600 0.049 0.000 1.033 367 S CA 1.693 59.926 58.200 0.056 0.000 1.011 367 S CB -0.794 62.364 63.200 -0.070 0.000 0.852 367 S HN 0.283 nan 8.310 nan 0.000 0.457 368 S N 1.491 117.239 115.700 0.080 0.000 2.359 368 S HA -0.077 4.393 4.470 -0.001 0.000 0.224 368 S C 1.805 176.466 174.600 0.101 0.000 1.035 368 S CA 1.123 59.393 58.200 0.116 0.000 1.018 368 S CB -0.463 62.870 63.200 0.222 0.000 0.876 368 S HN 0.316 nan 8.310 nan 0.000 0.448 369 L N 1.523 122.819 121.223 0.122 0.000 2.093 369 L HA 0.119 4.458 4.340 -0.001 0.000 0.208 369 L C 1.892 178.808 176.870 0.078 0.000 1.085 369 L CA 1.333 56.225 54.840 0.087 0.000 0.755 369 L CB -0.553 41.560 42.059 0.091 0.000 0.904 369 L HN 0.274 nan 8.230 nan 0.000 0.435 370 I N -1.086 119.533 120.570 0.081 0.000 2.226 370 I HA -0.331 3.839 4.170 -0.001 0.000 0.245 370 I C 2.201 178.367 176.117 0.082 0.000 1.100 370 I CA 1.330 62.677 61.300 0.078 0.000 1.374 370 I CB -0.240 37.811 38.000 0.085 0.000 1.057 370 I HN 0.220 nan 8.210 nan 0.000 0.413 371 L N -0.514 120.762 121.223 0.088 0.000 2.291 371 L HA -0.113 4.226 4.340 -0.001 0.000 0.214 371 L C 2.512 179.439 176.870 0.096 0.000 1.120 371 L CA 0.669 55.575 54.840 0.110 0.000 0.799 371 L CB -0.390 41.752 42.059 0.138 0.000 0.925 371 L HN 0.159 nan 8.230 nan 0.000 0.446 372 S N 0.146 115.899 115.700 0.089 0.000 2.387 372 S HA -0.096 4.374 4.470 -0.001 0.000 0.226 372 S C 2.209 176.813 174.600 0.006 0.000 1.026 372 S CA 1.100 59.365 58.200 0.109 0.000 0.972 372 S CB -0.140 63.141 63.200 0.135 0.000 0.814 372 S HN 0.490 nan 8.310 nan 0.000 0.477 373 A N 1.054 123.877 122.820 0.003 0.000 2.015 373 A HA 0.010 4.330 4.320 -0.001 0.000 0.219 373 A C 2.256 179.785 177.584 -0.091 0.000 1.163 373 A CA 1.008 53.009 52.037 -0.059 0.000 0.646 373 A CB -0.725 18.309 19.000 0.057 0.000 0.806 373 A HN 0.329 nan 8.150 nan 0.000 0.448 374 V N 0.080 119.990 119.914 -0.007 0.000 2.343 374 V HA -0.344 3.775 4.120 -0.001 0.000 0.247 374 V C 2.637 178.713 176.094 -0.031 0.000 1.051 374 V CA 2.361 64.675 62.300 0.024 0.000 1.036 374 V CB -0.692 31.185 31.823 0.090 0.000 0.654 374 V HN 0.607 nan 8.190 nan 0.000 0.451 375 M N -1.284 118.282 119.600 -0.057 0.000 2.117 375 M HA -0.252 4.228 4.480 -0.001 0.000 0.262 375 M C 2.288 178.353 176.300 -0.391 0.000 1.065 375 M CA 2.183 57.450 55.300 -0.056 0.000 1.114 375 M CB -0.459 32.216 32.600 0.125 0.000 1.361 375 M HN 0.358 nan 8.290 nan 0.000 0.408 376 M N 0.799 119.823 119.600 -0.960 0.000 2.086 376 M HA -0.213 4.266 4.480 -0.001 0.000 0.261 376 M C 1.984 178.013 176.300 -0.451 0.000 1.067 376 M CA 1.791 56.295 55.300 -1.326 0.000 1.116 376 M CB -0.099 31.820 32.600 -1.135 0.000 1.348 376 M HN 0.218 nan 8.290 nan 0.000 0.407 377 L N -0.019 121.052 121.223 -0.254 0.000 2.042 377 L HA -0.221 4.118 4.340 -0.001 0.000 0.210 377 L C 2.545 179.418 176.870 0.005 0.000 1.076 377 L CA 1.173 55.962 54.840 -0.086 0.000 0.749 377 L CB -0.923 41.175 42.059 0.066 0.000 0.893 377 L HN 0.324 nan 8.230 nan 0.000 0.432 378 E N -0.624 119.595 120.200 0.032 0.000 2.110 378 E HA -0.271 4.078 4.350 -0.001 0.000 0.193 378 E C 2.036 178.697 176.600 0.101 0.000 0.988 378 E CA 1.382 57.840 56.400 0.096 0.000 0.804 378 E CB -0.312 29.462 29.700 0.124 0.000 0.745 378 E HN 0.570 nan 8.360 nan 0.000 0.458 379 H N 0.485 119.547 119.070 -0.013 0.000 2.387 379 H HA 0.012 4.569 4.556 0.002 0.000 0.299 379 H C 1.904 177.214 175.328 -0.030 0.000 1.090 379 H CA 1.141 57.215 56.048 0.043 0.000 1.332 379 H CB -0.061 29.794 29.762 0.155 0.000 1.386 379 H HN 0.022 nan 8.280 nan 0.000 0.516 380 L N -0.744 120.435 121.223 -0.073 0.000 2.599 380 L HA 0.138 4.477 4.340 -0.001 0.000 0.230 380 L C 1.586 178.374 176.870 -0.137 0.000 1.141 380 L CA 0.511 55.200 54.840 -0.252 0.000 0.877 380 L CB -0.061 41.626 42.059 -0.620 0.000 1.009 380 L HN 0.630 nan 8.230 nan 0.000 0.447 381 G N -1.120 107.687 108.800 0.012 0.000 2.153 381 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.252 381 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.252 381 G C -0.240 174.873 174.900 0.354 0.000 0.994 381 G CA -0.246 44.937 45.100 0.138 0.000 0.698 381 G HN 0.350 nan 8.290 nan 0.000 0.521 382 W N 1.387 122.695 121.300 0.013 0.000 1.705 382 W HA 0.613 5.270 4.660 -0.005 0.000 0.361 382 W C 1.443 178.045 176.519 0.137 0.000 0.690 382 W CA -1.281 56.114 57.345 0.083 0.000 1.989 382 W CB -0.055 29.446 29.460 0.069 0.000 1.903 382 W HN 0.207 nan 8.180 nan 0.000 0.364 383 G N 0.665 109.640 108.800 0.291 0.000 2.422 383 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.218 383 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.218 383 G C 1.305 176.297 174.900 0.152 0.000 1.146 383 G CA 0.998 46.212 45.100 0.190 0.000 0.769 383 G HN 0.276 nan 8.290 nan 0.000 0.547 384 E N 0.863 121.154 120.200 0.152 0.000 2.077 384 E HA 0.056 4.405 4.350 -0.001 0.000 0.193 384 E C 2.786 179.351 176.600 -0.058 0.000 0.989 384 E CA 1.181 57.589 56.400 0.013 0.000 0.800 384 E CB -0.376 29.274 29.700 -0.083 0.000 0.746 384 E HN 0.378 nan 8.360 nan 0.000 0.452 385 A N 1.055 123.866 122.820 -0.015 0.000 1.930 385 A HA -0.013 4.307 4.320 -0.001 0.000 0.217 385 A C 2.351 179.974 177.584 0.064 0.000 1.175 385 A CA 1.607 53.626 52.037 -0.031 0.000 0.627 385 A CB -0.790 18.308 19.000 0.163 0.000 0.815 385 A HN 0.279 nan 8.150 nan 0.000 0.443 386 A N -0.449 122.450 122.820 0.131 0.000 1.858 386 A HA -0.241 4.078 4.320 -0.001 0.000 0.216 386 A C 2.116 179.765 177.584 0.108 0.000 1.190 386 A CA 1.736 53.843 52.037 0.118 0.000 0.617 386 A CB -0.703 18.370 19.000 0.121 0.000 0.827 386 A HN 0.622 nan 8.150 nan 0.000 0.443 387 Q N -0.709 119.146 119.800 0.092 0.000 2.181 387 Q HA -0.113 4.227 4.340 -0.001 0.000 0.205 387 Q C 2.362 178.418 176.000 0.094 0.000 0.980 387 Q CA 1.282 57.136 55.803 0.085 0.000 0.862 387 Q CB -0.401 28.376 28.738 0.064 0.000 0.905 387 Q HN 0.706 nan 8.270 nan 0.000 0.429 388 A N 0.865 123.733 122.820 0.080 0.000 1.902 388 A HA -0.171 4.148 4.320 -0.001 0.000 0.217 388 A C 2.011 179.779 177.584 0.305 0.000 1.181 388 A CA 1.127 53.249 52.037 0.142 0.000 0.623 388 A CB -0.557 18.459 19.000 0.027 0.000 0.818 388 A HN 0.308 nan 8.150 nan 0.000 0.443 389 I N -0.443 120.290 120.570 0.272 0.000 2.226 389 I HA -0.203 3.967 4.170 -0.001 0.000 0.245 389 I C 2.315 178.550 176.117 0.197 0.000 1.100 389 I CA 0.998 62.487 61.300 0.315 0.000 1.374 389 I CB -0.312 37.826 38.000 0.230 0.000 1.057 389 I HN 0.147 nan 8.210 nan 0.000 0.413 390 V N 1.110 121.131 119.914 0.178 0.000 2.295 390 V HA -0.304 3.816 4.120 -0.001 0.000 0.246 390 V C 2.745 178.936 176.094 0.162 0.000 1.049 390 V CA 2.042 64.458 62.300 0.193 0.000 1.024 390 V CB -1.029 30.893 31.823 0.165 0.000 0.648 390 V HN 0.501 nan 8.190 nan 0.000 0.447 391 A N -0.051 122.842 122.820 0.122 0.000 1.933 391 A HA -0.119 4.200 4.320 -0.001 0.000 0.218 391 A C 2.403 180.008 177.584 0.036 0.000 1.175 391 A CA 2.114 54.200 52.037 0.080 0.000 0.628 391 A CB -0.731 18.311 19.000 0.071 0.000 0.814 391 A HN 0.579 nan 8.150 nan 0.000 0.444 392 A N -1.143 121.680 122.820 0.005 0.000 1.930 392 A HA -0.039 4.281 4.320 -0.001 0.000 0.217 392 A C 2.157 179.662 177.584 -0.131 0.000 1.175 392 A CA 2.098 54.037 52.037 -0.163 0.000 0.627 392 A CB -0.448 18.277 19.000 -0.458 0.000 0.815 392 A HN 0.567 nan 8.150 nan 0.000 0.443 393 M N 0.519 120.098 119.600 -0.035 0.000 2.099 393 M HA -0.107 4.373 4.480 -0.001 0.000 0.262 393 M C 1.515 177.855 176.300 0.066 0.000 1.067 393 M CA 1.931 57.219 55.300 -0.021 0.000 1.124 393 M CB -0.687 31.924 32.600 0.019 0.000 1.353 393 M HN 0.372 nan 8.290 nan 0.000 0.410 394 N N 0.763 119.572 118.700 0.181 0.000 2.061 394 N HA -0.139 4.600 4.740 -0.001 0.000 0.193 394 N C 1.740 177.298 175.510 0.080 0.000 1.030 394 N CA 2.101 55.269 53.050 0.198 0.000 0.856 394 N CB -0.860 37.708 38.487 0.136 0.000 1.023 394 N HN 0.550 nan 8.380 nan 0.000 0.424 395 A N 0.068 122.902 122.820 0.025 0.000 1.898 395 A HA -0.099 4.221 4.320 -0.001 0.000 0.216 395 A C 2.375 179.943 177.584 -0.026 0.000 1.181 395 A CA 1.997 54.028 52.037 -0.011 0.000 0.620 395 A CB -1.038 17.938 19.000 -0.041 0.000 0.819 395 A HN 0.333 nan 8.150 nan 0.000 0.442 396 T N 0.430 114.951 114.554 -0.055 0.000 2.777 396 T HA -0.068 4.281 4.350 -0.001 0.000 0.266 396 T C 1.780 176.499 174.700 0.031 0.000 1.040 396 T CA 1.353 63.417 62.100 -0.060 0.000 1.141 396 T CB -0.238 68.521 68.868 -0.181 0.000 0.868 396 T HN 0.306 nan 8.240 nan 0.000 0.444 397 I N 1.690 122.291 120.570 0.052 0.000 2.252 397 I HA -0.029 4.141 4.170 -0.001 0.000 0.245 397 I C 2.909 179.044 176.117 0.030 0.000 1.102 397 I CA 0.953 62.286 61.300 0.054 0.000 1.385 397 I CB -1.607 36.406 38.000 0.022 0.000 1.064 397 I HN 0.174 nan 8.210 nan 0.000 0.414 398 A N 0.823 123.660 122.820 0.027 0.000 2.019 398 A HA -0.011 4.308 4.320 -0.001 0.000 0.219 398 A C 2.409 180.003 177.584 0.017 0.000 1.164 398 A CA 1.543 53.592 52.037 0.021 0.000 0.644 398 A CB -0.550 18.463 19.000 0.022 0.000 0.805 398 A HN 0.406 nan 8.150 nan 0.000 0.449 399 A N -1.761 121.067 122.820 0.012 0.000 2.167 399 A HA 0.387 4.706 4.320 -0.001 0.000 0.214 399 A C 1.822 179.414 177.584 0.014 0.000 1.151 399 A CA 1.274 53.315 52.037 0.007 0.000 0.735 399 A CB -0.836 18.160 19.000 -0.007 0.000 0.802 399 A HN 1.862 nan 8.150 nan 0.000 0.467 400 G N -0.703 108.110 108.800 0.022 0.000 2.132 400 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.234 400 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.234 400 G C -0.252 174.666 174.900 0.031 0.000 0.989 400 G CA 0.223 45.336 45.100 0.022 0.000 0.676 400 G HN 0.610 nan 8.290 nan 0.000 0.522 401 E N 0.334 120.569 120.200 0.058 0.000 1.993 401 E HA 0.495 4.845 4.350 -0.001 0.000 0.271 401 E C 0.382 177.098 176.600 0.194 0.000 1.008 401 E CA -0.155 56.305 56.400 0.100 0.000 0.814 401 E CB 1.561 31.307 29.700 0.077 0.000 1.098 401 E HN 0.822 nan 8.360 nan 0.000 0.407 402 V N -0.286 119.673 119.914 0.075 0.000 3.159 402 V HA 0.596 4.715 4.120 -0.001 0.000 0.308 402 V C 0.230 176.206 176.094 -0.197 0.000 1.190 402 V CA -1.090 61.143 62.300 -0.112 0.000 1.037 402 V CB 1.651 33.394 31.823 -0.132 0.000 1.060 402 V HN 0.545 nan 8.190 nan 0.000 0.437 403 T N -0.575 113.728 114.554 -0.418 0.000 2.788 403 T HA 0.495 4.845 4.350 -0.001 0.000 0.280 403 T C 1.425 176.012 174.700 -0.189 0.000 0.984 403 T CA 0.185 62.109 62.100 -0.293 0.000 0.972 403 T CB 0.899 69.537 68.868 -0.383 0.000 1.039 403 T HN 1.509 nan 8.240 nan 0.000 0.530 404 G N 0.760 109.478 108.800 -0.137 0.000 2.450 404 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.220 404 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.220 404 G C 1.267 176.108 174.900 -0.098 0.000 1.130 404 G CA 1.010 46.051 45.100 -0.098 0.000 0.760 404 G HN 0.948 nan 8.290 nan 0.000 0.557 405 D N 0.956 121.283 120.400 -0.122 0.000 2.144 405 D HA -0.130 4.510 4.640 -0.001 0.000 0.199 405 D C 2.419 178.664 176.300 -0.092 0.000 0.984 405 D CA 0.748 54.685 54.000 -0.105 0.000 0.834 405 D CB -0.599 40.126 40.800 -0.125 0.000 0.955 405 D HN 0.419 nan 8.370 nan 0.000 0.465 406 L N 0.376 121.531 121.223 -0.114 0.000 2.127 406 L HA 0.105 4.444 4.340 -0.001 0.000 0.203 406 L C 2.891 179.725 176.870 -0.061 0.000 1.080 406 L CA 0.793 55.582 54.840 -0.086 0.000 0.768 406 L CB -0.493 41.497 42.059 -0.116 0.000 0.924 406 L HN 0.022 nan 8.230 nan 0.000 0.444 407 A N 0.487 123.265 122.820 -0.071 0.000 2.024 407 A HA -0.169 4.151 4.320 -0.001 0.000 0.220 407 A C 2.430 179.992 177.584 -0.037 0.000 1.164 407 A CA 1.670 53.678 52.037 -0.048 0.000 0.643 407 A CB -0.552 18.418 19.000 -0.050 0.000 0.806 407 A HN 0.399 nan 8.150 nan 0.000 0.451 408 A N -0.570 122.225 122.820 -0.042 0.000 2.121 408 A HA 0.149 4.468 4.320 -0.001 0.000 0.218 408 A C 1.832 179.400 177.584 -0.026 0.000 1.154 408 A CA 1.038 53.055 52.037 -0.034 0.000 0.679 408 A CB -0.424 18.553 19.000 -0.038 0.000 0.795 408 A HN 0.489 nan 8.150 nan 0.000 0.458 409 L N -1.333 119.876 121.223 -0.023 0.000 2.558 409 L HA 0.187 4.527 4.340 -0.001 0.000 0.225 409 L C 0.339 177.204 176.870 -0.009 0.000 1.128 409 L CA 0.114 54.946 54.840 -0.014 0.000 0.868 409 L CB -0.136 41.919 42.059 -0.007 0.000 1.006 409 L HN 0.145 nan 8.230 nan 0.000 0.454 410 R N -0.216 120.277 120.500 -0.010 0.000 2.566 410 R HA 0.400 4.739 4.340 -0.001 0.000 0.271 410 R C -0.443 175.851 176.300 -0.009 0.000 1.071 410 R CA -0.444 55.651 56.100 -0.007 0.000 0.915 410 R CB 1.739 32.039 30.300 0.001 0.000 1.228 410 R HN -0.016 nan 8.270 nan 0.000 0.449 411 G N 0.384 109.179 108.800 -0.008 0.000 2.569 411 G HA2 0.275 4.235 3.960 -0.001 0.000 0.249 411 G HA3 0.275 4.235 3.960 -0.001 0.000 0.249 411 G C -0.403 174.493 174.900 -0.006 0.000 1.216 411 G CA 0.135 45.230 45.100 -0.008 0.000 0.845 411 G HN 0.671 nan 8.290 nan 0.000 0.568 412 D N -2.514 117.882 120.400 -0.007 0.000 3.041 412 D HA -0.195 4.445 4.640 -0.001 0.000 0.220 412 D C 0.031 176.328 176.300 -0.005 0.000 1.157 412 D CA 1.395 55.392 54.000 -0.005 0.000 0.876 412 D CB -1.497 39.301 40.800 -0.003 0.000 1.107 412 D HN 0.709 nan 8.370 nan 0.000 0.422 413 V N -0.624 119.285 119.914 -0.007 0.000 2.376 413 V HA 0.662 4.781 4.120 -0.001 0.000 0.287 413 V C -2.343 173.744 176.094 -0.013 0.000 1.015 413 V CA -1.623 60.672 62.300 -0.008 0.000 0.834 413 V CB 1.716 33.534 31.823 -0.008 0.000 1.001 413 V HN -0.153 nan 8.190 nan 0.000 0.428 414 P HA 0.456 nan 4.420 nan 0.000 0.272 414 P C -0.681 176.609 177.300 -0.018 0.000 1.230 414 P CA -0.137 62.956 63.100 -0.012 0.000 0.788 414 P CB 0.914 32.611 31.700 -0.006 0.000 0.949 415 A N 2.228 125.035 122.820 -0.022 0.000 2.288 415 A HA 0.578 4.897 4.320 -0.001 0.000 0.320 415 A C -0.321 177.251 177.584 -0.020 0.000 1.217 415 A CA -0.730 51.287 52.037 -0.033 0.000 0.840 415 A CB 0.136 19.111 19.000 -0.042 0.000 1.179 415 A HN 0.475 nan 8.150 nan 0.000 0.504 416 L N 2.237 123.451 121.223 -0.015 0.000 2.357 416 L HA 0.434 4.774 4.340 -0.001 0.000 0.273 416 L C 1.196 178.067 176.870 0.001 0.000 1.080 416 L CA -0.572 54.278 54.840 0.016 0.000 0.803 416 L CB 1.742 43.850 42.059 0.080 0.000 1.174 416 L HN 0.917 nan 8.230 nan 0.000 0.443 417 S N 0.125 115.834 115.700 0.014 0.000 2.617 417 S HA 0.092 4.562 4.470 -0.001 0.000 0.259 417 S C 1.069 175.690 174.600 0.035 0.000 1.301 417 S CA -0.282 57.921 58.200 0.006 0.000 0.984 417 S CB 1.066 64.270 63.200 0.006 0.000 0.954 417 S HN 0.655 nan 8.310 nan 0.000 0.572 418 T N 1.457 116.023 114.554 0.020 0.000 2.684 418 T HA -0.113 4.236 4.350 -0.001 0.000 0.267 418 T C 1.911 176.662 174.700 0.086 0.000 1.036 418 T CA 2.165 64.297 62.100 0.053 0.000 1.148 418 T CB -1.030 67.849 68.868 0.018 0.000 0.863 418 T HN 0.775 nan 8.240 nan 0.000 0.436 419 T N 1.721 116.301 114.554 0.043 0.000 2.746 419 T HA -0.082 4.268 4.350 -0.001 0.000 0.267 419 T C 1.996 176.713 174.700 0.028 0.000 1.039 419 T CA 1.229 63.344 62.100 0.026 0.000 1.142 419 T CB -0.248 68.625 68.868 0.009 0.000 0.866 419 T HN 0.528 nan 8.240 nan 0.000 0.444 420 E N 0.006 120.232 120.200 0.043 0.000 2.072 420 E HA -0.079 4.271 4.350 -0.001 0.000 0.191 420 E C 1.840 178.476 176.600 0.061 0.000 0.985 420 E CA 0.894 57.317 56.400 0.039 0.000 0.801 420 E CB -0.223 29.502 29.700 0.041 0.000 0.750 420 E HN 0.440 nan 8.360 nan 0.000 0.452 421 F N 1.620 121.540 119.950 -0.051 0.000 2.134 421 F HA -0.191 4.335 4.527 -0.001 0.000 0.299 421 F C 2.257 178.017 175.800 -0.066 0.000 1.097 421 F CA 1.513 59.476 58.000 -0.063 0.000 1.264 421 F CB -0.454 38.506 39.000 -0.067 0.000 1.001 421 F HN -0.109 nan 8.300 nan 0.000 0.479 422 T N 0.559 115.081 114.554 -0.054 0.000 2.684 422 T HA -0.194 4.155 4.350 -0.001 0.000 0.267 422 T C 2.237 176.829 174.700 -0.181 0.000 1.036 422 T CA 1.566 63.582 62.100 -0.140 0.000 1.148 422 T CB -0.867 67.984 68.868 -0.028 0.000 0.863 422 T HN 0.359 nan 8.240 nan 0.000 0.436 423 A N 1.382 124.132 122.820 -0.116 0.000 1.902 423 A HA 0.147 4.466 4.320 -0.001 0.000 0.217 423 A C 2.643 180.126 177.584 -0.168 0.000 1.181 423 A CA 1.854 53.827 52.037 -0.107 0.000 0.623 423 A CB -1.090 17.874 19.000 -0.060 0.000 0.818 423 A HN 0.512 nan 8.150 nan 0.000 0.443 424 A N -0.268 122.427 122.820 -0.207 0.000 1.902 424 A HA -0.047 4.273 4.320 -0.001 0.000 0.217 424 A C 2.181 179.552 177.584 -0.355 0.000 1.181 424 A CA 1.494 53.388 52.037 -0.239 0.000 0.623 424 A CB -0.567 18.313 19.000 -0.200 0.000 0.818 424 A HN 0.479 nan 8.150 nan 0.000 0.443 425 L N -0.717 120.199 121.223 -0.511 0.000 2.017 425 L HA -0.160 4.179 4.340 -0.001 0.000 0.208 425 L C 2.453 178.946 176.870 -0.629 0.000 1.073 425 L CA 1.375 55.870 54.840 -0.575 0.000 0.745 425 L CB -0.507 41.195 42.059 -0.595 0.000 0.894 425 L HN 0.355 nan 8.230 nan 0.000 0.432 426 I N 0.113 120.424 120.570 -0.432 0.000 2.454 426 I HA -0.277 3.892 4.170 -0.001 0.000 0.254 426 I C 2.647 178.600 176.117 -0.272 0.000 1.156 426 I CA 1.074 62.189 61.300 -0.308 0.000 1.433 426 I CB -0.328 37.663 38.000 -0.015 0.000 1.082 426 I HN 0.357 nan 8.210 nan 0.000 0.432 427 R N 0.837 121.189 120.500 -0.246 0.000 2.316 427 R HA -0.081 4.259 4.340 -0.001 0.000 0.202 427 R C 1.876 178.064 176.300 -0.188 0.000 1.029 427 R CA 0.814 56.818 56.100 -0.159 0.000 1.018 427 R CB -0.179 30.050 30.300 -0.119 0.000 0.888 427 R HN 0.123 nan 8.270 nan 0.000 0.471 428 R N 0.068 120.359 120.500 -0.348 0.000 2.240 428 R HA 0.224 4.564 4.340 -0.001 0.000 0.203 428 R C 0.051 176.241 176.300 -0.182 0.000 1.011 428 R CA 0.473 56.400 56.100 -0.289 0.000 1.007 428 R CB -0.157 29.925 30.300 -0.364 0.000 0.911 428 R HN 0.131 nan 8.270 nan 0.000 0.468 429 F N 0.000 119.918 119.950 -0.053 0.000 2.286 429 F HA 0.000 4.527 4.527 0.000 0.000 0.279 429 F CA 0.000 57.970 58.000 -0.050 0.000 1.383 429 F CB 0.000 38.970 39.000 -0.050 0.000 1.145 429 F HN 0.000 nan 8.300 nan 0.000 0.574