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 2iqf_1_A DATA FIRST_RESID 1 DATA SEQUENCE MVNKDVKQTT AFGAPVWDDN NVITAGPRGP VLLQSTWFLE KLAAFDRERI DATA SEQUENCE PERVVHAKGS GAYGTFTVTK DITKYTKAKI FSKVGKKTEC FFRFSTVAGE DATA SEQUENCE RGSADAVRDP RGFAMKYYTE EGNWDLVGNN TPVFFIRDAI KFPDFIHTQK DATA SEQUENCE RDPQTNLPNH DXVWDFWSNV PESLYQVTWV XSDRGIPKSF RHMDGFGSHT DATA SEQUENCE FSLINAKGER FWVKFHFHTM QGVKHLTNEE AAEIRKHDPD SNQRDLFDAI DATA SEQUENCE ARGDYPKWKL SIQVMPEEDA KKYRFHPFDV TKIWYTQDYP LXEVGIVELN DATA SEQUENCE KNPENYFAEV EQAAFTPANV VPGIGYSPDR MLQGRLFSYG DTHRYRLGVN DATA SEQUENCE YPQIPVNKPR CPFHSSSRDG YXQNGYYGSL QNYTPSSLPG YKEDKSARDP DATA SEQUENCE KFNLAHIEKE FEVWNWDYRA DDSDYYTQPG DYYRSLPADE KERLHDTIGE DATA SEQUENCE SLAHVTHKEI VDKQLEHFKK ADPKYAEGVK KALEKHQKMM K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.332 176.300 0.053 0.000 1.140 1 M CA 0.000 55.323 55.300 0.039 0.000 0.988 1 M CB 0.000 32.616 32.600 0.026 0.000 1.302 2 V N 0.037 119.984 119.914 0.056 0.000 2.483 2 V HA 0.711 4.831 4.120 0.001 0.000 0.295 2 V C -1.000 175.117 176.094 0.038 0.000 1.035 2 V CA -0.367 61.963 62.300 0.051 0.000 0.896 2 V CB 1.507 33.363 31.823 0.055 0.000 0.986 2 V HN 0.940 nan 8.190 nan 0.000 0.447 3 N N 3.156 121.876 118.700 0.032 0.000 2.408 3 N HA 0.634 5.374 4.740 0.001 0.000 0.280 3 N C -0.829 174.695 175.510 0.023 0.000 1.002 3 N CA -0.596 52.469 53.050 0.026 0.000 0.907 3 N CB 1.789 40.290 38.487 0.023 0.000 1.161 3 N HN 0.882 nan 8.380 nan 0.000 0.488 4 K N 1.241 121.653 120.400 0.020 0.000 2.525 4 K HA 0.254 4.574 4.320 0.001 0.000 0.254 4 K C -1.667 174.941 176.600 0.012 0.000 0.934 4 K CA -0.727 55.570 56.287 0.017 0.000 0.802 4 K CB 1.374 33.884 32.500 0.017 0.000 1.295 4 K HN 0.392 nan 8.250 nan 0.000 0.433 5 D N 2.827 123.233 120.400 0.010 0.000 2.371 5 D HA 0.163 4.804 4.640 0.001 0.000 0.256 5 D C -0.423 175.879 176.300 0.004 0.000 1.193 5 D CA 0.249 54.253 54.000 0.007 0.000 0.881 5 D CB 1.121 41.925 40.800 0.007 0.000 1.143 5 D HN 0.339 nan 8.370 nan 0.000 0.473 6 V N -0.497 119.417 119.914 0.000 0.000 2.925 6 V HA 0.456 4.576 4.120 0.001 0.000 0.311 6 V C -0.272 175.814 176.094 -0.013 0.000 1.104 6 V CA -1.232 61.065 62.300 -0.006 0.000 0.954 6 V CB 2.107 33.925 31.823 -0.008 0.000 1.022 6 V HN 0.208 nan 8.190 nan 0.000 0.427 7 K N 2.878 123.267 120.400 -0.017 0.000 2.378 7 K HA 0.229 4.549 4.320 0.001 0.000 0.288 7 K C -0.115 176.456 176.600 -0.049 0.000 1.057 7 K CA 0.058 56.330 56.287 -0.026 0.000 0.971 7 K CB 0.897 33.385 32.500 -0.020 0.000 0.975 7 K HN 0.840 nan 8.250 nan 0.000 0.475 8 Q N 2.674 122.434 119.800 -0.067 0.000 2.304 8 Q HA 0.077 4.418 4.340 0.001 0.000 0.260 8 Q C -0.410 175.476 176.000 -0.190 0.000 0.965 8 Q CA 0.016 55.746 55.803 -0.121 0.000 0.898 8 Q CB 0.850 29.515 28.738 -0.122 0.000 1.196 8 Q HN 0.739 nan 8.270 nan 0.000 0.402 9 T N -0.367 114.041 114.554 -0.243 0.000 2.838 9 T HA 0.496 4.846 4.350 0.001 0.000 0.292 9 T C 0.122 174.561 174.700 -0.435 0.000 1.113 9 T CA -0.415 61.519 62.100 -0.277 0.000 1.008 9 T CB 1.198 69.984 68.868 -0.137 0.000 1.259 9 T HN 0.672 nan 8.240 nan 0.000 0.520 10 T N -0.975 113.357 114.554 -0.370 0.000 2.701 10 T HA 0.475 4.826 4.350 0.001 0.000 0.303 10 T C 1.842 176.462 174.700 -0.134 0.000 1.030 10 T CA -0.126 61.833 62.100 -0.234 0.000 1.010 10 T CB 0.000 68.902 68.868 0.056 0.000 1.007 10 T HN 1.164 nan 8.240 nan 0.000 0.532 11 A N 0.102 122.823 122.820 -0.165 0.000 2.178 11 A HA 0.131 4.452 4.320 0.001 0.000 0.218 11 A C 1.434 178.712 177.584 -0.510 0.000 1.157 11 A CA 0.765 52.569 52.037 -0.388 0.000 0.689 11 A CB -1.038 17.620 19.000 -0.569 0.000 0.787 11 A HN 0.797 nan 8.150 nan 0.000 0.465 12 F N -1.339 118.620 119.950 0.015 0.000 2.641 12 F HA 0.405 4.933 4.527 0.001 0.000 0.302 12 F C 1.714 177.514 175.800 -0.001 0.000 1.098 12 F CA 0.447 58.456 58.000 0.014 0.000 1.318 12 F CB 0.220 39.237 39.000 0.028 0.000 1.035 12 F HN 0.287 nan 8.300 nan 0.000 0.551 13 G N 0.611 109.458 108.800 0.079 0.000 2.176 13 G HA2 -0.183 3.777 3.960 0.001 0.000 0.253 13 G HA3 -0.183 3.777 3.960 0.001 0.000 0.253 13 G C 0.322 175.243 174.900 0.036 0.000 0.979 13 G CA -0.134 44.989 45.100 0.038 0.000 0.641 13 G HN 0.648 nan 8.290 nan 0.000 0.530 14 A N 0.801 123.656 122.820 0.058 0.000 2.363 14 A HA 0.708 5.029 4.320 0.001 0.000 0.270 14 A C -1.624 175.952 177.584 -0.012 0.000 1.121 14 A CA -1.027 51.040 52.037 0.050 0.000 0.800 14 A CB 0.437 19.493 19.000 0.094 0.000 1.052 14 A HN 0.152 nan 8.150 nan 0.000 0.493 15 P HA 0.139 nan 4.420 nan 0.000 0.265 15 P C -0.526 176.752 177.300 -0.037 0.000 1.193 15 P CA 0.018 63.118 63.100 0.001 0.000 0.765 15 P CB 0.520 32.261 31.700 0.069 0.000 0.823 16 V N 5.471 125.252 119.914 -0.221 0.000 2.432 16 V HA 0.091 4.211 4.120 0.001 0.000 0.271 16 V C 1.071 177.093 176.094 -0.120 0.000 1.046 16 V CA 0.053 62.099 62.300 -0.424 0.000 0.945 16 V CB 0.172 31.571 31.823 -0.708 0.000 0.992 16 V HN 0.766 nan 8.190 nan 0.000 0.471 17 W N 2.336 123.589 121.300 -0.078 0.000 3.013 17 W HA 0.396 5.056 4.660 0.001 0.000 0.280 17 W C 0.047 176.577 176.519 0.020 0.000 1.249 17 W CA -0.183 57.149 57.345 -0.021 0.000 1.577 17 W CB 0.439 29.896 29.460 -0.004 0.000 1.057 17 W HN 0.487 nan 8.180 nan 0.000 0.613 18 D N 1.194 121.543 120.400 -0.085 0.000 2.365 18 D HA 0.051 4.691 4.640 0.001 0.000 0.235 18 D C -0.870 175.457 176.300 0.045 0.000 1.368 18 D CA -0.045 53.960 54.000 0.009 0.000 1.001 18 D CB 1.311 42.145 40.800 0.056 0.000 1.364 18 D HN -0.243 nan 8.370 nan 0.000 0.577 19 D N 1.947 122.409 120.400 0.103 0.000 2.325 19 D HA 0.166 4.806 4.640 0.001 0.000 0.225 19 D C 0.563 176.937 176.300 0.124 0.000 1.096 19 D CA 0.332 54.462 54.000 0.218 0.000 0.844 19 D CB 0.410 41.327 40.800 0.195 0.000 0.925 19 D HN 0.257 nan 8.370 nan 0.000 0.513 20 N N -0.670 118.076 118.700 0.077 0.000 2.266 20 N HA 0.083 4.824 4.740 0.001 0.000 0.217 20 N C -0.553 174.971 175.510 0.023 0.000 1.211 20 N CA -0.022 53.054 53.050 0.043 0.000 0.881 20 N CB 0.696 39.207 38.487 0.040 0.000 1.153 20 N HN 0.062 nan 8.380 nan 0.000 0.489 21 N N 1.501 120.217 118.700 0.025 0.000 2.295 21 N HA 0.207 4.947 4.740 0.001 0.000 0.293 21 N C 0.020 175.520 175.510 -0.016 0.000 1.040 21 N CA -0.311 52.741 53.050 0.003 0.000 0.840 21 N CB 3.294 41.794 38.487 0.023 0.000 1.468 21 N HN -0.170 nan 8.380 nan 0.000 0.478 22 V N -0.458 119.412 119.914 -0.072 0.000 3.546 22 V HA 0.374 4.494 4.120 0.001 0.000 0.296 22 V C 0.453 176.517 176.094 -0.051 0.000 1.082 22 V CA -0.406 61.826 62.300 -0.114 0.000 1.086 22 V CB 0.345 31.985 31.823 -0.306 0.000 1.174 22 V HN 0.400 nan 8.190 nan 0.000 0.464 23 I N 2.447 122.996 120.570 -0.036 0.000 2.365 23 I HA 0.543 4.714 4.170 0.001 0.000 0.291 23 I C 0.482 176.593 176.117 -0.011 0.000 1.004 23 I CA 0.360 61.676 61.300 0.028 0.000 1.311 23 I CB 0.315 38.363 38.000 0.081 0.000 1.401 23 I HN 1.119 nan 8.210 nan 0.000 0.491 24 T N 1.732 116.289 114.554 0.006 0.000 2.896 24 T HA 0.756 5.107 4.350 0.001 0.000 0.297 24 T C -0.350 174.353 174.700 0.005 0.000 1.108 24 T CA -0.992 61.101 62.100 -0.011 0.000 1.004 24 T CB 1.988 70.841 68.868 -0.025 0.000 1.159 24 T HN 0.621 nan 8.240 nan 0.000 0.499 25 A N 1.343 124.162 122.820 -0.002 0.000 2.807 25 A HA 0.717 5.038 4.320 0.001 0.000 0.307 25 A C 1.195 178.780 177.584 0.001 0.000 1.532 25 A CA 0.245 52.284 52.037 0.003 0.000 1.215 25 A CB -1.514 17.487 19.000 0.001 0.000 1.127 25 A HN 2.244 nan 8.150 nan 0.000 0.543 26 G N 3.431 112.234 108.800 0.006 0.000 2.758 26 G HA2 -0.120 3.841 3.960 0.001 0.000 0.686 26 G HA3 -0.120 3.841 3.960 0.001 0.000 0.686 26 G C -1.282 173.619 174.900 0.003 0.000 1.389 26 G CA -0.262 44.841 45.100 0.005 0.000 0.845 26 G HN 0.452 nan 8.290 nan 0.000 0.572 27 P HA -0.065 nan 4.420 nan 0.000 0.220 27 P C 1.216 178.513 177.300 -0.006 0.000 1.148 27 P CA 1.216 64.317 63.100 0.002 0.000 0.803 27 P CB 0.105 31.808 31.700 0.004 0.000 0.782 28 R N -0.586 119.909 120.500 -0.008 0.000 2.472 28 R HA 0.288 4.628 4.340 0.001 0.000 0.279 28 R C 1.290 177.580 176.300 -0.017 0.000 0.953 28 R CA -0.140 55.952 56.100 -0.013 0.000 1.088 28 R CB 0.538 30.832 30.300 -0.010 0.000 1.197 28 R HN 0.135 nan 8.270 nan 0.000 0.536 29 G N 2.478 111.269 108.800 -0.016 0.000 2.616 29 G HA2 0.258 4.218 3.960 0.001 0.000 0.268 29 G HA3 0.258 4.218 3.960 0.001 0.000 0.268 29 G C -2.144 172.739 174.900 -0.029 0.000 1.213 29 G CA -0.886 44.204 45.100 -0.018 0.000 0.926 29 G HN -0.086 nan 8.290 nan 0.000 0.523 30 P HA 0.164 nan 4.420 nan 0.000 0.272 30 P C -0.227 177.042 177.300 -0.052 0.000 1.240 30 P CA -0.308 62.769 63.100 -0.040 0.000 0.791 30 P CB 0.896 32.578 31.700 -0.029 0.000 0.978 31 V N 2.089 121.955 119.914 -0.080 0.000 2.583 31 V HA 0.073 4.194 4.120 0.001 0.000 0.287 31 V C 0.790 176.839 176.094 -0.075 0.000 1.051 31 V CA -0.261 61.971 62.300 -0.114 0.000 1.010 31 V CB 0.443 32.137 31.823 -0.215 0.000 0.988 31 V HN 0.342 nan 8.190 nan 0.000 0.478 32 L N 3.936 125.126 121.223 -0.055 0.000 2.334 32 L HA 0.301 4.642 4.340 0.001 0.000 0.277 32 L C 0.905 177.775 176.870 0.000 0.000 1.075 32 L CA 0.038 54.871 54.840 -0.013 0.000 0.804 32 L CB 1.201 43.269 42.059 0.015 0.000 1.174 32 L HN 0.550 nan 8.230 nan 0.000 0.438 33 L N 2.249 123.486 121.223 0.023 0.000 2.187 33 L HA -0.197 4.144 4.340 0.001 0.000 0.213 33 L C 2.231 179.144 176.870 0.072 0.000 1.100 33 L CA 1.610 56.480 54.840 0.050 0.000 0.765 33 L CB -0.616 41.471 42.059 0.046 0.000 0.904 33 L HN 0.896 nan 8.230 nan 0.000 0.437 34 Q N -1.609 118.233 119.800 0.069 0.000 2.515 34 Q HA -0.014 4.327 4.340 0.001 0.000 0.212 34 Q C 0.433 176.503 176.000 0.116 0.000 0.970 34 Q CA 0.567 56.426 55.803 0.093 0.000 0.941 34 Q CB -0.512 28.282 28.738 0.094 0.000 0.998 34 Q HN 0.421 nan 8.270 nan 0.000 0.518 35 S N 2.208 117.967 115.700 0.098 0.000 3.944 35 S HA -0.005 4.466 4.470 0.001 0.000 0.215 35 S C 1.031 175.731 174.600 0.167 0.000 1.220 35 S CA 0.437 58.701 58.200 0.106 0.000 0.950 35 S CB 0.107 63.326 63.200 0.031 0.000 1.615 35 S HN 0.564 nan 8.310 nan 0.000 0.466 36 T N -1.015 113.630 114.554 0.151 0.000 2.904 36 T HA -0.110 4.241 4.350 0.001 0.000 0.267 36 T C 1.466 176.279 174.700 0.188 0.000 1.059 36 T CA 0.101 62.294 62.100 0.155 0.000 1.137 36 T CB -0.369 68.590 68.868 0.152 0.000 0.879 36 T HN 0.792 nan 8.240 nan 0.000 0.467 37 W N 1.012 122.299 121.300 -0.021 0.000 2.379 37 W HA -0.147 4.514 4.660 0.001 0.000 0.307 37 W C 1.821 178.322 176.519 -0.029 0.000 1.200 37 W CA 0.586 57.896 57.345 -0.058 0.000 1.297 37 W CB -0.489 28.866 29.460 -0.174 0.000 1.140 37 W HN 0.253 nan 8.180 nan 0.000 0.507 38 F N 1.979 121.705 119.950 -0.373 0.000 2.063 38 F HA -0.338 4.190 4.527 0.001 0.000 0.298 38 F C 2.270 177.869 175.800 -0.336 0.000 1.105 38 F CA 2.756 60.499 58.000 -0.428 0.000 1.215 38 F CB -0.996 37.866 39.000 -0.230 0.000 0.972 38 F HN -0.176 nan 8.300 nan 0.000 0.483 39 L N 0.053 121.110 121.223 -0.276 0.000 2.046 39 L HA -0.226 4.114 4.340 0.001 0.000 0.208 39 L C 2.607 179.296 176.870 -0.301 0.000 1.077 39 L CA 2.033 56.700 54.840 -0.288 0.000 0.747 39 L CB -0.945 41.106 42.059 -0.012 0.000 0.896 39 L HN 0.336 nan 8.230 nan 0.000 0.432 40 E N 0.722 120.807 120.200 -0.192 0.000 2.051 40 E HA -0.286 4.065 4.350 0.001 0.000 0.192 40 E C 2.250 178.670 176.600 -0.300 0.000 0.991 40 E CA 1.364 57.706 56.400 -0.097 0.000 0.799 40 E CB 0.057 29.871 29.700 0.189 0.000 0.748 40 E HN 0.298 nan 8.360 nan 0.000 0.449 41 K N 0.067 120.017 120.400 -0.751 0.000 2.026 41 K HA -0.138 4.182 4.320 0.001 0.000 0.208 41 K C 2.219 178.508 176.600 -0.517 0.000 1.048 41 K CA 1.107 56.857 56.287 -0.895 0.000 0.929 41 K CB 0.000 31.582 32.500 -1.531 0.000 0.713 41 K HN 0.179 nan 8.250 nan 0.000 0.439 42 L N 0.564 121.409 121.223 -0.630 0.000 2.109 42 L HA -0.048 4.293 4.340 0.001 0.000 0.207 42 L C 2.535 179.284 176.870 -0.203 0.000 1.086 42 L CA 1.702 56.281 54.840 -0.435 0.000 0.760 42 L CB -1.306 40.324 42.059 -0.715 0.000 0.910 42 L HN 0.286 nan 8.230 nan 0.000 0.437 43 A N -0.140 122.541 122.820 -0.231 0.000 1.933 43 A HA -0.123 4.197 4.320 0.001 0.000 0.218 43 A C 2.515 180.049 177.584 -0.082 0.000 1.175 43 A CA 1.642 53.608 52.037 -0.118 0.000 0.628 43 A CB -0.464 18.483 19.000 -0.088 0.000 0.814 43 A HN 0.394 nan 8.150 nan 0.000 0.444 44 A N -1.001 121.769 122.820 -0.084 0.000 1.873 44 A HA -0.027 4.294 4.320 0.001 0.000 0.215 44 A C 2.047 179.599 177.584 -0.054 0.000 1.186 44 A CA 1.573 53.574 52.037 -0.060 0.000 0.616 44 A CB -0.743 18.230 19.000 -0.043 0.000 0.823 44 A HN 0.733 nan 8.150 nan 0.000 0.442 45 F N 1.476 121.322 119.950 -0.175 0.000 2.134 45 F HA -0.187 4.340 4.527 0.001 0.000 0.299 45 F C 1.502 177.222 175.800 -0.133 0.000 1.097 45 F CA 2.085 59.990 58.000 -0.157 0.000 1.264 45 F CB -0.250 38.645 39.000 -0.176 0.000 1.001 45 F HN 0.229 nan 8.300 nan 0.000 0.479 46 D N 0.219 120.523 120.400 -0.160 0.000 2.309 46 D HA -0.123 4.517 4.640 0.001 0.000 0.212 46 D C 1.581 177.745 176.300 -0.227 0.000 0.968 46 D CA 1.062 54.939 54.000 -0.206 0.000 0.882 46 D CB -0.232 40.526 40.800 -0.070 0.000 0.918 46 D HN 0.424 nan 8.370 nan 0.000 0.503 47 R N -0.042 120.334 120.500 -0.208 0.000 2.577 47 R HA 0.192 4.532 4.340 0.001 0.000 0.344 47 R C 1.236 177.415 176.300 -0.202 0.000 1.037 47 R CA -0.124 55.876 56.100 -0.167 0.000 1.102 47 R CB 0.595 30.832 30.300 -0.106 0.000 1.313 47 R HN 0.129 nan 8.270 nan 0.000 0.561 48 E N 0.800 120.823 120.200 -0.294 0.000 2.150 48 E HA -0.065 4.286 4.350 0.001 0.000 0.193 48 E C 0.256 176.684 176.600 -0.286 0.000 0.985 48 E CA 0.858 57.060 56.400 -0.330 0.000 0.814 48 E CB 0.276 29.748 29.700 -0.381 0.000 0.752 48 E HN 0.071 nan 8.360 nan 0.000 0.466 49 R N 1.305 121.686 120.500 -0.198 0.000 2.357 49 R HA 0.330 4.671 4.340 0.001 0.000 0.296 49 R C 0.421 176.705 176.300 -0.027 0.000 1.052 49 R CA -0.236 55.815 56.100 -0.082 0.000 0.988 49 R CB 0.611 30.858 30.300 -0.088 0.000 1.025 49 R HN 0.174 nan 8.270 nan 0.000 0.469 50 I N -0.612 119.999 120.570 0.069 0.000 2.863 50 I HA 0.599 4.769 4.170 0.001 0.000 0.311 50 I C -2.135 173.975 176.117 -0.012 0.000 1.026 50 I CA -2.958 58.350 61.300 0.014 0.000 1.077 50 I CB 1.566 39.597 38.000 0.052 0.000 1.262 50 I HN 0.240 nan 8.210 nan 0.000 0.461 51 P HA 0.072 nan 4.420 nan 0.000 0.265 51 P C -0.900 176.399 177.300 -0.002 0.000 1.193 51 P CA -0.049 63.033 63.100 -0.030 0.000 0.765 51 P CB 0.385 32.057 31.700 -0.047 0.000 0.823 52 E N 2.821 123.038 120.200 0.028 0.000 2.392 52 E HA 0.158 4.509 4.350 0.001 0.000 0.256 52 E C -0.459 176.164 176.600 0.038 0.000 1.145 52 E CA -0.805 55.616 56.400 0.036 0.000 0.929 52 E CB 0.576 30.304 29.700 0.047 0.000 0.998 52 E HN 0.262 nan 8.360 nan 0.000 0.442 53 R N 0.710 121.234 120.500 0.041 0.000 2.585 53 R HA -0.037 4.303 4.340 0.001 0.000 0.275 53 R C 1.011 177.346 176.300 0.057 0.000 1.018 53 R CA 0.081 56.211 56.100 0.051 0.000 1.072 53 R CB 0.665 31.010 30.300 0.074 0.000 0.953 53 R HN 0.550 nan 8.270 nan 0.000 0.419 54 V N 4.096 124.039 119.914 0.048 0.000 2.626 54 V HA -0.097 4.024 4.120 0.001 0.000 0.252 54 V C 0.514 176.637 176.094 0.048 0.000 1.067 54 V CA 1.623 63.945 62.300 0.038 0.000 1.081 54 V CB 0.233 32.068 31.823 0.020 0.000 0.686 54 V HN 0.535 nan 8.190 nan 0.000 0.468 55 V N -4.189 115.790 119.914 0.109 0.000 3.078 55 V HA 0.591 4.711 4.120 0.001 0.000 0.311 55 V C 0.208 176.459 176.094 0.261 0.000 1.138 55 V CA -0.640 61.757 62.300 0.160 0.000 1.007 55 V CB 1.465 33.469 31.823 0.300 0.000 1.045 55 V HN 0.466 nan 8.190 nan 0.000 0.432 56 H N 0.390 119.515 119.070 0.092 0.000 2.862 56 H HA -0.216 4.341 4.556 0.001 0.000 0.290 56 H C 1.510 176.882 175.328 0.073 0.000 1.211 56 H CA 0.772 56.873 56.048 0.089 0.000 1.140 56 H CB -1.199 28.608 29.762 0.075 0.000 1.341 56 H HN 1.198 nan 8.280 nan 0.000 0.392 57 A N 0.451 123.352 122.820 0.134 0.000 1.972 57 A HA -0.086 4.235 4.320 0.001 0.000 0.219 57 A C 1.488 179.151 177.584 0.132 0.000 1.169 57 A CA 1.467 53.571 52.037 0.111 0.000 0.635 57 A CB 0.071 19.114 19.000 0.073 0.000 0.810 57 A HN 0.232 nan 8.150 nan 0.000 0.446 58 K N -0.226 120.258 120.400 0.139 0.000 2.240 58 K HA 0.540 4.860 4.320 0.001 0.000 0.271 58 K C -0.025 176.708 176.600 0.222 0.000 1.018 58 K CA 0.605 56.992 56.287 0.168 0.000 0.874 58 K CB 0.846 33.429 32.500 0.138 0.000 1.098 58 K HN 0.365 nan 8.250 nan 0.000 0.458 59 G N 0.794 109.753 108.800 0.264 0.000 2.489 59 G HA2 0.492 4.453 3.960 0.001 0.000 0.305 59 G HA3 0.492 4.453 3.960 0.001 0.000 0.305 59 G C -1.532 173.571 174.900 0.339 0.000 1.311 59 G CA -0.773 44.489 45.100 0.269 0.000 0.813 59 G HN 0.486 nan 8.290 nan 0.000 0.480 60 S N -1.742 114.086 115.700 0.213 0.000 2.541 60 S HA 0.883 5.354 4.470 0.001 0.000 0.271 60 S C -0.157 174.435 174.600 -0.013 0.000 1.133 60 S CA -0.113 58.254 58.200 0.279 0.000 0.876 60 S CB 1.953 65.447 63.200 0.490 0.000 1.105 60 S HN 1.590 nan 8.310 nan 0.000 0.470 61 G N 0.036 108.832 108.800 -0.007 0.000 2.642 61 G HA2 0.870 4.831 3.960 0.001 0.000 0.293 61 G HA3 0.870 4.831 3.960 0.001 0.000 0.293 61 G C -1.563 173.190 174.900 -0.246 0.000 1.341 61 G CA -0.539 44.341 45.100 -0.367 0.000 0.916 61 G HN 1.057 nan 8.290 nan 0.000 0.474 62 A N -0.448 122.028 122.820 -0.572 0.000 2.604 62 A HA 0.748 5.069 4.320 0.001 0.000 0.295 62 A C -1.744 175.581 177.584 -0.431 0.000 1.067 62 A CA -0.758 51.108 52.037 -0.285 0.000 0.683 62 A CB 0.798 19.739 19.000 -0.097 0.000 1.281 62 A HN 0.679 nan 8.150 nan 0.000 0.407 63 Y N 0.316 120.627 120.300 0.018 0.000 2.307 63 Y HA 0.637 5.187 4.550 0.001 0.000 0.324 63 Y C 1.250 177.076 175.900 -0.123 0.000 1.238 63 Y CA 1.000 59.119 58.100 0.033 0.000 1.280 63 Y CB 1.701 40.227 38.460 0.110 0.000 1.248 63 Y HN 1.078 nan 8.280 nan 0.000 0.508 64 G N -0.391 108.432 108.800 0.037 0.000 2.650 64 G HA2 0.585 4.545 3.960 0.001 0.000 0.310 64 G HA3 0.585 4.545 3.960 0.001 0.000 0.310 64 G C -1.582 173.326 174.900 0.014 0.000 1.270 64 G CA -0.924 44.129 45.100 -0.078 0.000 0.810 64 G HN 0.410 nan 8.290 nan 0.000 0.493 65 T N 0.335 114.905 114.554 0.026 0.000 2.971 65 T HA 0.511 4.862 4.350 0.001 0.000 0.304 65 T C -1.660 173.177 174.700 0.228 0.000 1.038 65 T CA -0.225 61.952 62.100 0.128 0.000 1.007 65 T CB 1.729 70.638 68.868 0.068 0.000 1.055 65 T HN 0.573 nan 8.240 nan 0.000 0.451 66 F N 2.646 122.719 119.950 0.205 0.000 2.420 66 F HA 0.664 5.191 4.527 0.001 0.000 0.342 66 F C -0.321 175.597 175.800 0.197 0.000 1.113 66 F CA -0.228 57.932 58.000 0.266 0.000 1.059 66 F CB 1.330 40.571 39.000 0.400 0.000 1.128 66 F HN 0.437 nan 8.300 nan 0.000 0.475 67 T N 5.880 120.024 114.554 -0.684 0.000 2.840 67 T HA 0.373 4.724 4.350 0.001 0.000 0.287 67 T C -0.812 173.432 174.700 -0.759 0.000 0.991 67 T CA -0.569 61.240 62.100 -0.486 0.000 0.964 67 T CB 1.348 70.101 68.868 -0.191 0.000 0.954 67 T HN 0.407 nan 8.240 nan 0.000 0.438 68 V N 4.156 123.800 119.914 -0.449 0.000 2.585 68 V HA 0.179 4.300 4.120 0.001 0.000 0.296 68 V C 1.673 177.712 176.094 -0.093 0.000 1.035 68 V CA 0.505 62.705 62.300 -0.167 0.000 1.084 68 V CB 0.838 32.731 31.823 0.117 0.000 0.953 68 V HN 1.172 nan 8.190 nan 0.000 0.483 69 T N 0.878 115.401 114.554 -0.051 0.000 2.969 69 T HA 0.292 4.642 4.350 0.001 0.000 0.250 69 T C 0.483 175.183 174.700 0.000 0.000 1.021 69 T CA -0.186 61.899 62.100 -0.024 0.000 1.003 69 T CB 0.519 69.374 68.868 -0.021 0.000 1.040 69 T HN 0.422 nan 8.240 nan 0.000 0.492 70 K N 1.585 121.992 120.400 0.012 0.000 2.477 70 K HA 0.477 4.798 4.320 0.001 0.000 0.255 70 K C -1.845 174.762 176.600 0.011 0.000 0.952 70 K CA -0.619 55.671 56.287 0.006 0.000 0.826 70 K CB 2.059 34.557 32.500 -0.003 0.000 1.331 70 K HN 0.042 nan 8.250 nan 0.000 0.437 71 D N 2.473 122.872 120.400 -0.001 0.000 2.380 71 D HA 0.196 4.837 4.640 0.001 0.000 0.230 71 D C 0.470 176.749 176.300 -0.035 0.000 1.154 71 D CA -0.420 53.577 54.000 -0.006 0.000 0.859 71 D CB 0.261 41.052 40.800 -0.015 0.000 1.045 71 D HN 0.543 nan 8.370 nan 0.000 0.495 72 I N 1.146 121.695 120.570 -0.036 0.000 3.877 72 I HA 0.169 4.340 4.170 0.001 0.000 0.332 72 I C 1.288 177.363 176.117 -0.070 0.000 1.525 72 I CA -0.406 60.865 61.300 -0.048 0.000 1.146 72 I CB 0.099 38.070 38.000 -0.048 0.000 1.137 72 I HN 0.150 nan 8.210 nan 0.000 0.424 73 T N -2.125 112.391 114.554 -0.062 0.000 3.051 73 T HA -0.135 4.215 4.350 0.001 0.000 0.269 73 T C 1.665 176.286 174.700 -0.130 0.000 1.127 73 T CA 1.214 63.288 62.100 -0.043 0.000 1.107 73 T CB -0.259 68.603 68.868 -0.011 0.000 0.898 73 T HN 0.580 nan 8.240 nan 0.000 0.517 74 K N 0.129 120.346 120.400 -0.306 0.000 2.152 74 K HA -0.136 4.185 4.320 0.001 0.000 0.206 74 K C 1.446 177.712 176.600 -0.557 0.000 1.048 74 K CA 1.413 57.402 56.287 -0.497 0.000 0.933 74 K CB -0.222 31.791 32.500 -0.811 0.000 0.721 74 K HN 0.638 nan 8.250 nan 0.000 0.447 75 Y N -1.039 119.085 120.300 -0.294 0.000 2.522 75 Y HA 0.106 4.657 4.550 0.000 0.000 0.277 75 Y C 0.845 176.709 175.900 -0.061 0.000 1.104 75 Y CA -0.020 57.815 58.100 -0.443 0.000 1.260 75 Y CB 1.119 39.260 38.460 -0.532 0.000 1.151 75 Y HN -0.079 nan 8.280 nan 0.000 0.539 76 T N 0.288 114.910 114.554 0.112 0.000 2.952 76 T HA 0.213 4.563 4.350 0.001 0.000 0.305 76 T C -0.120 174.638 174.700 0.097 0.000 1.064 76 T CA -0.891 61.285 62.100 0.126 0.000 1.008 76 T CB 1.251 70.215 68.868 0.159 0.000 1.078 76 T HN 0.305 nan 8.240 nan 0.000 0.459 77 K N 2.746 123.187 120.400 0.069 0.000 2.417 77 K HA 0.565 4.886 4.320 0.001 0.000 0.196 77 K C 0.739 177.352 176.600 0.023 0.000 1.023 77 K CA -0.344 55.969 56.287 0.043 0.000 1.122 77 K CB 0.238 32.753 32.500 0.024 0.000 0.850 77 K HN 0.486 nan 8.250 nan 0.000 0.521 78 A N 2.131 124.965 122.820 0.024 0.000 2.520 78 A HA 0.047 4.368 4.320 0.001 0.000 0.245 78 A C 0.773 178.307 177.584 -0.084 0.000 1.072 78 A CA -0.384 51.600 52.037 -0.088 0.000 0.761 78 A CB 0.405 19.273 19.000 -0.219 0.000 1.004 78 A HN 0.159 nan 8.150 nan 0.000 0.499 79 K N 2.367 122.705 120.400 -0.102 0.000 2.152 79 K HA -0.164 4.156 4.320 0.001 0.000 0.206 79 K C 1.628 178.181 176.600 -0.078 0.000 1.048 79 K CA 1.530 57.783 56.287 -0.057 0.000 0.933 79 K CB -0.574 31.905 32.500 -0.034 0.000 0.721 79 K HN 0.855 nan 8.250 nan 0.000 0.447 80 I N -0.028 120.398 120.570 -0.239 0.000 2.335 80 I HA -0.243 3.928 4.170 0.001 0.000 0.251 80 I C 0.735 176.769 176.117 -0.140 0.000 1.129 80 I CA 1.323 62.446 61.300 -0.296 0.000 1.402 80 I CB 0.095 37.715 38.000 -0.634 0.000 1.069 80 I HN -0.077 nan 8.210 nan 0.000 0.424 81 F N 0.150 120.147 119.950 0.079 0.000 2.664 81 F HA 0.162 4.690 4.527 0.001 0.000 0.303 81 F C 2.490 178.331 175.800 0.068 0.000 1.092 81 F CA 0.313 58.379 58.000 0.110 0.000 1.305 81 F CB -0.795 38.241 39.000 0.061 0.000 1.054 81 F HN 0.108 nan 8.300 nan 0.000 0.565 82 S N -0.588 115.219 115.700 0.179 0.000 2.481 82 S HA 0.020 4.491 4.470 0.001 0.000 0.231 82 S C 0.653 175.306 174.600 0.089 0.000 0.996 82 S CA 0.478 58.745 58.200 0.111 0.000 0.942 82 S CB -0.139 63.098 63.200 0.063 0.000 0.768 82 S HN 0.169 nan 8.310 nan 0.000 0.520 83 K N 0.830 121.290 120.400 0.100 0.000 2.498 83 K HA 0.452 4.772 4.320 0.001 0.000 0.254 83 K C -1.377 175.270 176.600 0.077 0.000 0.933 83 K CA -0.731 55.599 56.287 0.071 0.000 0.806 83 K CB 2.531 35.063 32.500 0.053 0.000 1.301 83 K HN -0.031 nan 8.250 nan 0.000 0.432 84 V N 1.519 121.464 119.914 0.052 0.000 2.585 84 V HA 0.147 4.267 4.120 0.001 0.000 0.296 84 V C 1.392 177.501 176.094 0.025 0.000 1.035 84 V CA 1.753 64.075 62.300 0.037 0.000 1.084 84 V CB 0.465 32.300 31.823 0.021 0.000 0.953 84 V HN 1.159 nan 8.190 nan 0.000 0.483 85 G N 3.852 112.657 108.800 0.009 0.000 2.217 85 G HA2 -0.262 3.699 3.960 0.001 0.000 0.246 85 G HA3 -0.262 3.699 3.960 0.001 0.000 0.246 85 G C 0.389 175.296 174.900 0.011 0.000 0.990 85 G CA 0.286 45.388 45.100 0.002 0.000 0.627 85 G HN 0.716 nan 8.290 nan 0.000 0.522 86 K N 1.378 121.800 120.400 0.036 0.000 2.416 86 K HA 0.416 4.737 4.320 0.001 0.000 0.283 86 K C 0.227 176.867 176.600 0.067 0.000 1.037 86 K CA 0.091 56.416 56.287 0.063 0.000 0.995 86 K CB 0.183 32.742 32.500 0.097 0.000 0.938 86 K HN 0.260 nan 8.250 nan 0.000 0.475 87 K N 2.417 122.863 120.400 0.076 0.000 2.159 87 K HA 0.278 4.598 4.320 0.001 0.000 0.266 87 K C -0.962 175.739 176.600 0.169 0.000 0.975 87 K CA -0.607 55.741 56.287 0.103 0.000 0.865 87 K CB 2.027 34.569 32.500 0.070 0.000 1.087 87 K HN 0.475 nan 8.250 nan 0.000 0.446 88 T N 2.098 116.812 114.554 0.267 0.000 2.881 88 T HA 0.179 4.529 4.350 0.001 0.000 0.290 88 T C -0.789 174.111 174.700 0.333 0.000 1.000 88 T CA -0.911 61.369 62.100 0.301 0.000 0.978 88 T CB 1.409 70.491 68.868 0.357 0.000 0.997 88 T HN 0.351 nan 8.240 nan 0.000 0.443 89 E N 1.509 121.883 120.200 0.291 0.000 2.390 89 E HA 0.410 4.761 4.350 0.001 0.000 0.261 89 E C 0.197 177.039 176.600 0.404 0.000 1.076 89 E CA -0.237 56.347 56.400 0.307 0.000 0.905 89 E CB 0.806 30.654 29.700 0.248 0.000 0.984 89 E HN 0.859 nan 8.360 nan 0.000 0.427 90 C N 0.531 120.013 119.300 0.303 0.000 3.236 90 C HA 0.811 5.272 4.460 0.001 0.000 0.312 90 C C -0.946 174.158 174.990 0.189 0.000 1.374 90 C CA -1.172 57.889 59.018 0.070 0.000 1.455 90 C CB 0.871 28.491 27.740 -0.200 0.000 1.834 90 C HN 0.665 nan 8.230 nan 0.000 0.460 91 F N 1.344 121.202 119.950 -0.154 0.000 2.557 91 F HA 0.802 5.330 4.527 0.001 0.000 0.316 91 F C -1.838 173.929 175.800 -0.056 0.000 1.141 91 F CA -1.057 56.832 58.000 -0.185 0.000 0.922 91 F CB 1.293 40.140 39.000 -0.254 0.000 1.194 91 F HN 0.633 nan 8.300 nan 0.000 0.443 92 F N 5.004 124.172 119.950 -1.304 0.000 2.508 92 F HA 0.629 5.157 4.527 0.001 0.000 0.325 92 F C -0.286 174.537 175.800 -1.630 0.000 1.090 92 F CA -1.029 56.159 58.000 -1.353 0.000 0.945 92 F CB 2.049 40.209 39.000 -1.399 0.000 1.156 92 F HN 0.473 nan 8.300 nan 0.000 0.463 93 R N 3.195 122.952 120.500 -1.237 0.000 2.513 93 R HA 0.620 4.961 4.340 0.001 0.000 0.301 93 R C -1.848 173.785 176.300 -1.111 0.000 0.968 93 R CA -0.377 55.139 56.100 -0.973 0.000 0.872 93 R CB 1.015 31.093 30.300 -0.369 0.000 1.177 93 R HN 0.512 nan 8.270 nan 0.000 0.444 94 F N 2.018 121.536 119.950 -0.721 0.000 2.458 94 F HA 0.573 5.100 4.527 0.001 0.000 0.330 94 F C 0.398 175.814 175.800 -0.639 0.000 1.082 94 F CA -0.443 57.003 58.000 -0.922 0.000 0.995 94 F CB 2.235 40.184 39.000 -1.752 0.000 1.170 94 F HN 0.615 nan 8.300 nan 0.000 0.478 95 S N -0.997 114.634 115.700 -0.115 0.000 2.611 95 S HA 0.606 5.077 4.470 0.001 0.000 0.268 95 S C -0.629 174.146 174.600 0.292 0.000 1.156 95 S CA -0.965 57.333 58.200 0.164 0.000 0.817 95 S CB 1.286 64.619 63.200 0.223 0.000 1.122 95 S HN 0.704 nan 8.310 nan 0.000 0.466 96 T N -1.138 113.565 114.554 0.249 0.000 2.865 96 T HA 0.673 5.023 4.350 0.001 0.000 0.302 96 T C 0.896 175.547 174.700 -0.083 0.000 1.078 96 T CA -0.061 62.129 62.100 0.150 0.000 0.942 96 T CB 0.169 69.118 68.868 0.135 0.000 1.387 96 T HN 0.653 nan 8.240 nan 0.000 0.557 97 V N -0.421 119.405 119.914 -0.146 0.000 2.950 97 V HA 0.351 4.471 4.120 0.001 0.000 0.231 97 V C 2.681 178.678 176.094 -0.161 0.000 1.205 97 V CA 0.694 62.786 62.300 -0.347 0.000 1.239 97 V CB -0.807 30.919 31.823 -0.161 0.000 1.050 97 V HN 0.999 nan 8.190 nan 0.000 0.498 98 A N 0.503 123.261 122.820 -0.103 0.000 1.984 98 A HA 0.398 4.718 4.320 0.001 0.000 0.214 98 A C 1.560 179.088 177.584 -0.092 0.000 1.173 98 A CA 0.928 52.885 52.037 -0.134 0.000 0.673 98 A CB -0.743 18.148 19.000 -0.182 0.000 0.830 98 A HN 0.546 nan 8.150 nan 0.000 0.453 99 G N 0.346 109.117 108.800 -0.049 0.000 2.491 99 G HA2 0.431 4.391 3.960 0.001 0.000 0.242 99 G HA3 0.431 4.391 3.960 0.001 0.000 0.242 99 G C -0.272 174.625 174.900 -0.005 0.000 1.266 99 G CA -0.252 44.833 45.100 -0.024 0.000 0.844 99 G HN 0.421 nan 8.290 nan 0.000 0.571 100 E N 0.302 120.498 120.200 -0.006 0.000 2.385 100 E HA 0.263 4.613 4.350 0.001 0.000 0.254 100 E C 1.771 178.391 176.600 0.033 0.000 1.228 100 E CA -0.561 55.845 56.400 0.009 0.000 0.956 100 E CB 0.673 30.371 29.700 -0.004 0.000 1.116 100 E HN 0.465 nan 8.360 nan 0.000 0.507 101 R N 0.032 120.558 120.500 0.044 0.000 2.198 101 R HA -0.197 4.143 4.340 0.001 0.000 0.258 101 R C 1.355 177.683 176.300 0.046 0.000 1.173 101 R CA 1.683 57.818 56.100 0.059 0.000 0.991 101 R CB -0.386 29.954 30.300 0.066 0.000 0.879 101 R HN 0.609 nan 8.270 nan 0.000 0.460 102 G N -0.248 108.569 108.800 0.028 0.000 3.453 102 G HA2 0.039 3.999 3.960 0.001 0.000 0.263 102 G HA3 0.039 3.999 3.960 0.001 0.000 0.263 102 G C 0.034 174.945 174.900 0.017 0.000 1.060 102 G CA -0.118 44.993 45.100 0.019 0.000 0.793 102 G HN 0.282 nan 8.290 nan 0.000 0.532 103 S N 0.104 115.817 115.700 0.023 0.000 2.589 103 S HA 0.642 5.113 4.470 0.001 0.000 0.265 103 S C 0.593 175.212 174.600 0.031 0.000 1.342 103 S CA 0.025 58.237 58.200 0.019 0.000 1.005 103 S CB 1.562 64.771 63.200 0.015 0.000 0.909 103 S HN 0.689 nan 8.310 nan 0.000 0.555 104 A N 0.928 123.763 122.820 0.026 0.000 2.388 104 A HA 0.338 4.658 4.320 0.001 0.000 0.257 104 A C 0.752 178.363 177.584 0.046 0.000 1.095 104 A CA -0.552 51.502 52.037 0.029 0.000 0.791 104 A CB -0.171 18.839 19.000 0.017 0.000 1.029 104 A HN 0.876 nan 8.150 nan 0.000 0.489 105 D N 1.815 122.240 120.400 0.042 0.000 2.117 105 D HA -0.037 4.604 4.640 0.001 0.000 0.198 105 D C 1.270 177.581 176.300 0.020 0.000 0.982 105 D CA 2.034 56.057 54.000 0.039 0.000 0.828 105 D CB -0.192 40.597 40.800 -0.020 0.000 0.967 105 D HN 0.637 nan 8.370 nan 0.000 0.464 106 A N 1.216 124.040 122.820 0.007 0.000 3.091 106 A HA 0.422 4.742 4.320 0.001 0.000 0.264 106 A C 0.286 177.894 177.584 0.040 0.000 1.673 106 A CA -0.346 51.698 52.037 0.012 0.000 1.362 106 A CB -0.732 18.268 19.000 0.000 0.000 1.137 106 A HN 0.052 nan 8.150 nan 0.000 0.617 107 V N -1.462 118.490 119.914 0.063 0.000 3.074 107 V HA 0.658 4.778 4.120 0.001 0.000 0.314 107 V C -0.026 176.132 176.094 0.107 0.000 1.117 107 V CA -1.452 60.893 62.300 0.075 0.000 1.014 107 V CB 1.589 33.451 31.823 0.065 0.000 1.057 107 V HN 0.598 nan 8.190 nan 0.000 0.438 108 R N 1.599 122.168 120.500 0.116 0.000 2.216 108 R HA 0.591 4.932 4.340 0.001 0.000 0.332 108 R C -1.236 175.167 176.300 0.171 0.000 1.056 108 R CA 0.166 56.358 56.100 0.152 0.000 0.901 108 R CB 0.117 30.512 30.300 0.158 0.000 1.039 108 R HN 1.019 nan 8.270 nan 0.000 0.456 109 D N 3.884 124.412 120.400 0.213 0.000 2.783 109 D HA 0.245 4.886 4.640 0.001 0.000 0.253 109 D C -2.849 173.631 176.300 0.300 0.000 1.206 109 D CA -1.222 52.921 54.000 0.238 0.000 0.740 109 D CB 1.987 42.886 40.800 0.167 0.000 1.313 109 D HN 0.216 nan 8.370 nan 0.000 0.427 110 P HA 0.336 nan 4.420 nan 0.000 0.272 110 P C -0.701 176.801 177.300 0.336 0.000 1.240 110 P CA -0.416 62.910 63.100 0.376 0.000 0.791 110 P CB 0.500 32.467 31.700 0.445 0.000 0.978 111 R N 0.721 121.444 120.500 0.371 0.000 2.494 111 R HA 0.533 4.873 4.340 0.001 0.000 0.305 111 R C 0.399 176.924 176.300 0.376 0.000 0.959 111 R CA -0.703 55.621 56.100 0.374 0.000 0.864 111 R CB 1.312 31.862 30.300 0.417 0.000 1.159 111 R HN 0.622 nan 8.270 nan 0.000 0.446 112 G N 1.024 110.051 108.800 0.377 0.000 2.483 112 G HA2 0.279 4.240 3.960 0.001 0.000 0.248 112 G HA3 0.279 4.240 3.960 0.001 0.000 0.248 112 G C -0.879 174.057 174.900 0.059 0.000 1.248 112 G CA -0.039 45.183 45.100 0.203 0.000 0.838 112 G HN 0.454 nan 8.290 nan 0.000 0.566 113 F N 2.079 121.853 119.950 -0.294 0.000 2.708 113 F HA 0.554 5.082 4.527 0.001 0.000 0.344 113 F C 0.419 175.680 175.800 -0.899 0.000 1.447 113 F CA -1.148 56.564 58.000 -0.480 0.000 1.140 113 F CB 0.568 39.373 39.000 -0.324 0.000 1.657 113 F HN 0.651 nan 8.300 nan 0.000 0.598 114 A N 4.191 126.411 122.820 -1.001 0.000 2.328 114 A HA 0.788 5.108 4.320 0.001 0.000 0.284 114 A C -0.489 176.117 177.584 -1.631 0.000 1.160 114 A CA -0.221 50.990 52.037 -1.376 0.000 0.818 114 A CB 0.448 18.329 19.000 -1.864 0.000 1.087 114 A HN 0.576 nan 8.150 nan 0.000 0.504 115 M N 2.364 121.156 119.600 -1.347 0.000 2.327 115 M HA 0.408 4.889 4.480 0.001 0.000 0.298 115 M C -0.454 175.426 176.300 -0.700 0.000 1.065 115 M CA -0.240 54.278 55.300 -1.305 0.000 0.916 115 M CB 2.514 34.103 32.600 -1.685 0.000 1.630 115 M HN 0.687 nan 8.290 nan 0.000 0.442 116 K N 2.914 123.015 120.400 -0.498 0.000 2.450 116 K HA 0.496 4.817 4.320 0.001 0.000 0.257 116 K C -2.090 174.054 176.600 -0.759 0.000 0.953 116 K CA -0.410 55.596 56.287 -0.469 0.000 0.844 116 K CB 1.143 33.429 32.500 -0.357 0.000 1.103 116 K HN 0.619 nan 8.250 nan 0.000 0.429 117 Y N 3.002 123.089 120.300 -0.354 0.000 2.331 117 Y HA 0.240 4.791 4.550 0.001 0.000 0.338 117 Y C -0.621 175.176 175.900 -0.171 0.000 0.976 117 Y CA -0.770 57.209 58.100 -0.201 0.000 1.137 117 Y CB 0.956 39.383 38.460 -0.055 0.000 1.172 117 Y HN 0.434 nan 8.280 nan 0.000 0.478 118 Y N 2.091 122.496 120.300 0.176 0.000 2.636 118 Y HA 0.144 4.694 4.550 0.001 0.000 0.334 118 Y C 1.063 177.027 175.900 0.106 0.000 1.286 118 Y CA -0.993 57.168 58.100 0.101 0.000 1.688 118 Y CB -0.519 37.978 38.460 0.063 0.000 1.662 118 Y HN 0.536 nan 8.280 nan 0.000 0.465 119 T N -2.864 111.813 114.554 0.205 0.000 2.816 119 T HA 0.155 4.506 4.350 0.001 0.000 0.282 119 T C 1.035 175.794 174.700 0.098 0.000 0.993 119 T CA -0.640 61.536 62.100 0.128 0.000 0.994 119 T CB 1.032 69.931 68.868 0.052 0.000 1.025 119 T HN 0.595 nan 8.240 nan 0.000 0.529 120 E N -0.070 120.168 120.200 0.063 0.000 2.418 120 E HA -0.015 4.336 4.350 0.001 0.000 0.197 120 E C 0.982 177.608 176.600 0.043 0.000 1.026 120 E CA 0.670 57.102 56.400 0.053 0.000 0.862 120 E CB 0.110 29.834 29.700 0.040 0.000 0.799 120 E HN 0.713 nan 8.360 nan 0.000 0.518 121 E N 0.221 120.439 120.200 0.029 0.000 2.869 121 E HA 0.281 4.631 4.350 0.001 0.000 0.207 121 E C -0.124 176.494 176.600 0.030 0.000 0.986 121 E CA -0.289 56.125 56.400 0.023 0.000 1.131 121 E CB 1.147 30.844 29.700 -0.006 0.000 1.098 121 E HN 0.203 nan 8.360 nan 0.000 0.459 122 G N 1.327 110.158 108.800 0.053 0.000 2.440 122 G HA2 -0.166 3.795 3.960 0.001 0.000 0.684 122 G HA3 -0.166 3.795 3.960 0.001 0.000 0.684 122 G C -1.051 173.898 174.900 0.081 0.000 1.309 122 G CA -1.191 43.944 45.100 0.058 0.000 0.931 122 G HN 0.076 nan 8.290 nan 0.000 0.612 123 N N -0.003 118.735 118.700 0.063 0.000 2.420 123 N HA 0.322 5.063 4.740 0.001 0.000 0.262 123 N C -0.414 175.167 175.510 0.119 0.000 1.144 123 N CA -0.129 52.949 53.050 0.046 0.000 0.952 123 N CB 0.774 39.230 38.487 -0.051 0.000 1.081 123 N HN 0.590 nan 8.380 nan 0.000 0.480 124 W N 3.791 125.053 121.300 -0.063 0.000 2.387 124 W HA 0.234 4.895 4.660 0.001 0.000 0.310 124 W C -0.894 175.597 176.519 -0.045 0.000 1.181 124 W CA -0.871 56.437 57.345 -0.062 0.000 1.333 124 W CB 0.135 29.529 29.460 -0.109 0.000 1.286 124 W HN 0.353 nan 8.180 nan 0.000 0.455 125 D N 6.153 126.511 120.400 -0.071 0.000 2.280 125 D HA 0.157 4.798 4.640 0.001 0.000 0.243 125 D C -0.868 175.125 176.300 -0.512 0.000 1.129 125 D CA -0.286 53.567 54.000 -0.245 0.000 0.848 125 D CB 1.673 42.453 40.800 -0.033 0.000 1.107 125 D HN 0.344 nan 8.370 nan 0.000 0.471 126 L N 3.971 124.702 121.223 -0.820 0.000 2.301 126 L HA 0.250 4.590 4.340 0.001 0.000 0.278 126 L C -0.911 175.571 176.870 -0.647 0.000 1.022 126 L CA -0.675 53.672 54.840 -0.821 0.000 0.854 126 L CB 1.389 42.725 42.059 -1.205 0.000 1.226 126 L HN 0.075 nan 8.230 nan 0.000 0.429 127 V N 5.992 125.632 119.914 -0.456 0.000 2.222 127 V HA 0.510 4.630 4.120 0.001 0.000 0.253 127 V C 1.128 177.000 176.094 -0.370 0.000 1.210 127 V CA -0.045 61.968 62.300 -0.478 0.000 1.079 127 V CB -0.238 31.313 31.823 -0.455 0.000 1.265 127 V HN 0.837 nan 8.190 nan 0.000 0.494 128 G N 2.705 111.254 108.800 -0.419 0.000 2.557 128 G HA2 0.510 4.471 3.960 0.001 0.000 0.292 128 G HA3 0.510 4.471 3.960 0.001 0.000 0.292 128 G C -0.492 174.307 174.900 -0.168 0.000 1.237 128 G CA -0.460 44.470 45.100 -0.284 0.000 0.978 128 G HN 0.503 nan 8.290 nan 0.000 0.498 129 N N -1.118 117.542 118.700 -0.067 0.000 2.629 129 N HA 0.205 4.946 4.740 0.001 0.000 0.279 129 N C 0.178 175.799 175.510 0.185 0.000 1.344 129 N CA -0.772 52.331 53.050 0.088 0.000 0.789 129 N CB 1.490 40.022 38.487 0.075 0.000 1.508 129 N HN 0.513 nan 8.380 nan 0.000 0.516 130 N N -0.941 117.954 118.700 0.325 0.000 2.375 130 N HA 0.011 4.751 4.740 0.001 0.000 0.220 130 N C -0.579 175.242 175.510 0.519 0.000 1.170 130 N CA 0.023 53.362 53.050 0.482 0.000 0.833 130 N CB -0.026 38.781 38.487 0.534 0.000 1.069 130 N HN 0.390 nan 8.380 nan 0.000 0.479 131 T N -0.359 114.223 114.554 0.047 0.000 2.916 131 T HA 0.381 4.731 4.350 0.001 0.000 0.305 131 T C -2.556 171.415 174.700 -1.215 0.000 1.119 131 T CA -1.590 59.908 62.100 -1.003 0.000 1.008 131 T CB 2.180 70.380 68.868 -1.114 0.000 1.129 131 T HN -0.165 nan 8.240 nan 0.000 0.480 132 P HA 0.153 nan 4.420 nan 0.000 0.241 132 P C 0.417 177.160 177.300 -0.928 0.000 1.191 132 P CA 0.339 62.625 63.100 -1.356 0.000 0.771 132 P CB -0.058 30.790 31.700 -1.421 0.000 0.929 133 V N -4.598 114.716 119.914 -0.999 0.000 3.155 133 V HA 0.717 4.838 4.120 0.001 0.000 0.313 133 V C -0.804 174.986 176.094 -0.505 0.000 1.162 133 V CA -1.349 60.497 62.300 -0.757 0.000 1.048 133 V CB 2.215 33.449 31.823 -0.983 0.000 1.092 133 V HN -0.097 nan 8.190 nan 0.000 0.447 134 F N -0.963 118.640 119.950 -0.579 0.000 2.675 134 F HA 0.637 5.165 4.527 0.001 0.000 0.324 134 F C 0.360 175.879 175.800 -0.469 0.000 1.106 134 F CA -0.973 56.721 58.000 -0.509 0.000 0.970 134 F CB 2.158 41.012 39.000 -0.243 0.000 1.385 134 F HN 0.478 nan 8.300 nan 0.000 0.489 135 F N 2.151 121.583 119.950 -0.864 0.000 2.558 135 F HA 0.158 4.686 4.527 0.001 0.000 0.298 135 F C 0.448 176.064 175.800 -0.306 0.000 1.119 135 F CA 0.459 58.079 58.000 -0.632 0.000 1.451 135 F CB -0.113 38.312 39.000 -0.959 0.000 1.091 135 F HN 0.099 nan 8.300 nan 0.000 0.563 136 I N -2.129 118.477 120.570 0.059 0.000 2.969 136 I HA 0.497 4.668 4.170 0.001 0.000 0.307 136 I C 0.440 176.619 176.117 0.103 0.000 1.149 136 I CA -1.071 60.301 61.300 0.121 0.000 1.008 136 I CB 2.405 40.567 38.000 0.269 0.000 1.232 136 I HN -0.043 nan 8.210 nan 0.000 0.435 137 R N 0.459 120.950 120.500 -0.015 0.000 2.531 137 R HA 0.382 4.723 4.340 0.001 0.000 0.316 137 R C -0.751 175.591 176.300 0.069 0.000 0.955 137 R CA -0.325 55.737 56.100 -0.064 0.000 1.120 137 R CB 0.515 30.592 30.300 -0.371 0.000 1.361 137 R HN 0.693 nan 8.270 nan 0.000 0.534 138 D N 0.571 121.038 120.400 0.113 0.000 2.629 138 D HA 0.329 4.970 4.640 0.001 0.000 0.250 138 D C 0.456 176.859 176.300 0.172 0.000 1.126 138 D CA -0.377 53.729 54.000 0.177 0.000 0.852 138 D CB 2.263 43.187 40.800 0.206 0.000 1.335 138 D HN 0.085 nan 8.370 nan 0.000 0.518 139 A N 4.203 127.109 122.820 0.143 0.000 2.076 139 A HA -0.140 4.181 4.320 0.001 0.000 0.220 139 A C 2.113 179.806 177.584 0.182 0.000 1.160 139 A CA 0.657 52.781 52.037 0.146 0.000 0.653 139 A CB -0.475 18.566 19.000 0.069 0.000 0.801 139 A HN 0.762 nan 8.150 nan 0.000 0.455 140 I N -1.144 119.517 120.570 0.150 0.000 2.567 140 I HA -0.192 3.979 4.170 0.001 0.000 0.257 140 I C 1.299 177.509 176.117 0.155 0.000 1.184 140 I CA 1.170 62.550 61.300 0.132 0.000 1.451 140 I CB 0.088 38.145 38.000 0.095 0.000 1.089 140 I HN 0.083 nan 8.210 nan 0.000 0.441 141 K N -0.107 120.420 120.400 0.212 0.000 2.426 141 K HA -0.024 4.296 4.320 0.001 0.000 0.193 141 K C 1.579 178.337 176.600 0.263 0.000 1.028 141 K CA 0.442 56.881 56.287 0.253 0.000 1.047 141 K CB -0.469 32.235 32.500 0.339 0.000 0.821 141 K HN 0.320 nan 8.250 nan 0.000 0.513 142 F N 2.890 122.916 119.950 0.127 0.000 2.095 142 F HA -0.138 4.389 4.527 0.001 0.000 0.298 142 F C -0.895 174.900 175.800 -0.009 0.000 1.104 142 F CA 1.377 59.459 58.000 0.137 0.000 1.232 142 F CB -0.582 38.486 39.000 0.113 0.000 0.987 142 F HN 0.052 nan 8.300 nan 0.000 0.475 143 P HA -0.161 nan 4.420 nan 0.000 0.216 143 P C 1.032 177.912 177.300 -0.701 0.000 1.150 143 P CA 1.858 64.676 63.100 -0.469 0.000 0.837 143 P CB -0.100 31.390 31.700 -0.349 0.000 0.786 144 D N -1.200 118.961 120.400 -0.399 0.000 2.084 144 D HA -0.172 4.468 4.640 0.001 0.000 0.194 144 D C 1.869 177.754 176.300 -0.690 0.000 0.990 144 D CA 1.073 54.853 54.000 -0.365 0.000 0.826 144 D CB -0.910 39.880 40.800 -0.016 0.000 0.971 144 D HN 0.182 nan 8.370 nan 0.000 0.453 145 F N 1.684 121.038 119.950 -0.994 0.000 2.069 145 F HA -0.224 4.303 4.527 0.001 0.000 0.298 145 F C 2.230 177.507 175.800 -0.871 0.000 1.113 145 F CA 1.132 58.343 58.000 -1.314 0.000 1.214 145 F CB 0.001 38.553 39.000 -0.746 0.000 0.978 145 F HN -0.181 nan 8.300 nan 0.000 0.474 146 I N 0.703 120.665 120.570 -1.015 0.000 2.163 146 I HA -0.332 3.839 4.170 0.001 0.000 0.243 146 I C 2.410 178.163 176.117 -0.607 0.000 1.085 146 I CA 1.821 62.568 61.300 -0.920 0.000 1.347 146 I CB -1.870 35.645 38.000 -0.809 0.000 1.044 146 I HN 0.356 nan 8.210 nan 0.000 0.408 147 H N 0.438 119.171 119.070 -0.561 0.000 2.357 147 H HA -0.193 4.364 4.556 0.001 0.000 0.296 147 H C 2.273 177.308 175.328 -0.487 0.000 1.108 147 H CA 1.996 57.787 56.048 -0.429 0.000 1.273 147 H CB -0.008 29.565 29.762 -0.315 0.000 1.367 147 H HN 0.468 nan 8.280 nan 0.000 0.498 148 T N -1.124 113.121 114.554 -0.516 0.000 2.951 148 T HA -0.102 4.249 4.350 0.001 0.000 0.268 148 T C 1.809 176.115 174.700 -0.656 0.000 1.073 148 T CA 0.657 62.423 62.100 -0.557 0.000 1.134 148 T CB 0.081 68.573 68.868 -0.627 0.000 0.884 148 T HN 0.243 nan 8.240 nan 0.000 0.479 149 Q N 0.769 120.072 119.800 -0.829 0.000 2.378 149 Q HA 0.226 4.566 4.340 0.001 0.000 0.205 149 Q C 1.191 176.898 176.000 -0.488 0.000 0.954 149 Q CA 0.754 56.101 55.803 -0.761 0.000 0.901 149 Q CB 0.177 28.327 28.738 -0.979 0.000 0.981 149 Q HN 0.644 nan 8.270 nan 0.000 0.483 150 K N 0.070 120.223 120.400 -0.412 0.000 2.660 150 K HA 0.363 4.683 4.320 0.001 0.000 0.262 150 K C 0.200 176.651 176.600 -0.248 0.000 0.981 150 K CA -0.649 55.466 56.287 -0.288 0.000 1.532 150 K CB 0.551 32.906 32.500 -0.243 0.000 2.490 150 K HN -0.147 nan 8.250 nan 0.000 0.886 151 R N 1.547 121.924 120.500 -0.206 0.000 2.540 151 R HA 0.129 4.470 4.340 0.001 0.000 0.287 151 R C -0.571 175.624 176.300 -0.175 0.000 0.980 151 R CA -0.655 55.341 56.100 -0.174 0.000 0.966 151 R CB 0.810 31.028 30.300 -0.137 0.000 1.106 151 R HN 0.533 nan 8.270 nan 0.000 0.480 152 D N 3.540 123.853 120.400 -0.144 0.000 2.493 152 D HA -0.028 4.612 4.640 0.001 0.000 0.240 152 D C -1.298 174.928 176.300 -0.124 0.000 1.142 152 D CA -1.161 52.765 54.000 -0.125 0.000 0.872 152 D CB 1.154 41.903 40.800 -0.086 0.000 1.173 152 D HN 0.277 nan 8.370 nan 0.000 0.467 153 P HA -0.150 nan 4.420 nan 0.000 0.220 153 P C 1.151 178.396 177.300 -0.092 0.000 1.148 153 P CA 1.081 64.103 63.100 -0.131 0.000 0.803 153 P CB 0.385 31.998 31.700 -0.144 0.000 0.782 154 Q N 0.153 119.910 119.800 -0.072 0.000 2.107 154 Q HA -0.048 4.293 4.340 0.001 0.000 0.195 154 Q C 2.074 178.045 176.000 -0.048 0.000 0.964 154 Q CA 1.923 57.695 55.803 -0.053 0.000 0.833 154 Q CB -0.210 28.505 28.738 -0.039 0.000 0.910 154 Q HN 0.226 nan 8.270 nan 0.000 0.465 155 T N -2.292 112.233 114.554 -0.049 0.000 3.081 155 T HA 0.035 4.386 4.350 0.001 0.000 0.255 155 T C 0.700 175.371 174.700 -0.049 0.000 1.113 155 T CA 0.692 62.767 62.100 -0.041 0.000 1.082 155 T CB -0.056 68.792 68.868 -0.033 0.000 0.939 155 T HN 0.485 nan 8.240 nan 0.000 0.506 156 N N 0.088 118.749 118.700 -0.065 0.000 2.708 156 N HA -0.126 4.615 4.740 0.001 0.000 0.251 156 N C -0.879 174.588 175.510 -0.072 0.000 1.123 156 N CA 0.554 53.561 53.050 -0.072 0.000 0.739 156 N CB -1.949 36.503 38.487 -0.059 0.000 1.113 156 N HN 0.661 nan 8.380 nan 0.000 0.561 157 L N -0.137 121.042 121.223 -0.073 0.000 2.330 157 L HA 0.653 4.993 4.340 0.001 0.000 0.271 157 L C -1.822 174.985 176.870 -0.104 0.000 1.013 157 L CA -2.065 52.731 54.840 -0.074 0.000 0.816 157 L CB 1.416 43.445 42.059 -0.050 0.000 1.287 157 L HN -0.112 nan 8.230 nan 0.000 0.435 158 P HA 0.049 nan 4.420 nan 0.000 0.269 158 P C -1.197 176.001 177.300 -0.169 0.000 1.215 158 P CA -0.174 62.816 63.100 -0.184 0.000 0.780 158 P CB 0.480 32.054 31.700 -0.210 0.000 0.898 159 N N 0.461 119.031 118.700 -0.217 0.000 2.571 159 N HA 0.110 4.851 4.740 0.001 0.000 0.286 159 N C 0.223 175.659 175.510 -0.123 0.000 1.138 159 N CA -0.266 52.716 53.050 -0.114 0.000 0.859 159 N CB 0.348 38.782 38.487 -0.087 0.000 1.414 159 N HN 0.240 nan 8.380 nan 0.000 0.529 160 H N 0.348 119.411 119.070 -0.011 0.000 2.423 160 H HA 0.060 4.617 4.556 0.001 0.000 0.297 160 H C 0.024 175.475 175.328 0.205 0.000 1.075 160 H CA 1.054 57.169 56.048 0.113 0.000 1.342 160 H CB 0.242 30.153 29.762 0.248 0.000 1.395 160 H HN 0.561 nan 8.280 nan 0.000 0.530 164 W N 1.250 122.535 121.300 -0.025 0.000 2.576 164 W HA 0.094 4.754 4.660 0.001 0.000 0.270 164 W C 2.012 178.611 176.519 0.133 0.000 1.255 164 W CA 1.207 58.651 57.345 0.165 0.000 1.314 164 W CB 0.057 29.648 29.460 0.218 0.000 1.101 164 W HN 0.371 nan 8.180 nan 0.000 0.595 165 D N 0.266 120.818 120.400 0.254 0.000 2.104 165 D HA -0.274 4.367 4.640 0.001 0.000 0.194 165 D C 1.820 178.210 176.300 0.150 0.000 0.994 165 D CA 1.471 55.568 54.000 0.162 0.000 0.830 165 D CB -0.500 40.355 40.800 0.092 0.000 0.959 165 D HN 0.123 nan 8.370 nan 0.000 0.452 166 F N -0.307 119.620 119.950 -0.039 0.000 2.084 166 F HA -0.136 4.392 4.527 0.001 0.000 0.296 166 F C 2.002 177.863 175.800 0.102 0.000 1.111 166 F CA 1.424 59.399 58.000 -0.042 0.000 1.224 166 F CB -0.290 38.600 39.000 -0.182 0.000 0.991 166 F HN 0.028 nan 8.300 nan 0.000 0.471 167 W N 0.988 122.371 121.300 0.138 0.000 2.338 167 W HA -0.189 4.471 4.660 0.001 0.000 0.304 167 W C 3.062 179.621 176.519 0.065 0.000 1.212 167 W CA 1.767 59.144 57.345 0.055 0.000 1.264 167 W CB -1.822 27.670 29.460 0.054 0.000 1.142 167 W HN 0.265 nan 8.180 nan 0.000 0.512 168 S N -0.326 115.602 115.700 0.379 0.000 2.423 168 S HA -0.129 4.341 4.470 0.001 0.000 0.231 168 S C 1.397 176.123 174.600 0.210 0.000 1.014 168 S CA 1.169 59.541 58.200 0.286 0.000 0.965 168 S CB -0.605 62.707 63.200 0.186 0.000 0.785 168 S HN 0.235 nan 8.310 nan 0.000 0.495 169 N N 0.629 119.352 118.700 0.039 0.000 2.280 169 N HA 0.180 4.920 4.740 0.001 0.000 0.192 169 N C -0.614 174.764 175.510 -0.220 0.000 1.109 169 N CA 0.294 53.303 53.050 -0.069 0.000 0.855 169 N CB 1.087 39.517 38.487 -0.095 0.000 0.974 169 N HN 0.264 nan 8.380 nan 0.000 0.482 170 V N 3.177 122.917 119.914 -0.290 0.000 2.384 170 V HA 0.184 4.305 4.120 0.001 0.000 0.257 170 V C -1.715 174.135 176.094 -0.406 0.000 0.969 170 V CA -0.952 61.103 62.300 -0.408 0.000 0.910 170 V CB 1.917 33.373 31.823 -0.612 0.000 1.150 170 V HN -0.043 nan 8.190 nan 0.000 0.481 171 P HA -0.148 nan 4.420 nan 0.000 0.223 171 P C 1.339 178.165 177.300 -0.790 0.000 1.151 171 P CA 1.003 63.568 63.100 -0.891 0.000 0.787 171 P CB 0.413 31.337 31.700 -1.294 0.000 0.788 172 E N 1.168 120.915 120.200 -0.754 0.000 2.333 172 E HA -0.136 4.214 4.350 0.001 0.000 0.198 172 E C 1.610 178.091 176.600 -0.199 0.000 1.007 172 E CA 1.482 57.699 56.400 -0.305 0.000 0.845 172 E CB -1.126 28.473 29.700 -0.168 0.000 0.766 172 E HN 0.347 nan 8.360 nan 0.000 0.507 173 S N 0.597 116.176 115.700 -0.201 0.000 2.507 173 S HA -0.101 4.370 4.470 0.001 0.000 0.235 173 S C 1.909 176.420 174.600 -0.148 0.000 0.988 173 S CA 0.553 58.675 58.200 -0.130 0.000 0.944 173 S CB -0.425 62.762 63.200 -0.023 0.000 0.762 173 S HN 0.193 nan 8.310 nan 0.000 0.526 174 L N 0.868 122.035 121.223 -0.094 0.000 2.042 174 L HA -0.068 4.273 4.340 0.001 0.000 0.210 174 L C 2.293 179.261 176.870 0.163 0.000 1.076 174 L CA 1.804 56.673 54.840 0.049 0.000 0.749 174 L CB -1.290 40.834 42.059 0.110 0.000 0.893 174 L HN 0.378 nan 8.230 nan 0.000 0.432 175 Y N 0.061 120.338 120.300 -0.038 0.000 2.128 175 Y HA -0.289 4.261 4.550 0.001 0.000 0.284 175 Y C 2.779 178.592 175.900 -0.146 0.000 1.154 175 Y CA 2.134 60.208 58.100 -0.043 0.000 1.149 175 Y CB -0.633 37.754 38.460 -0.122 0.000 0.976 175 Y HN 0.426 nan 8.280 nan 0.000 0.505 176 Q N -0.259 119.416 119.800 -0.210 0.000 2.172 176 Q HA -0.063 4.278 4.340 0.001 0.000 0.200 176 Q C 2.180 177.969 176.000 -0.353 0.000 0.964 176 Q CA 1.504 56.967 55.803 -0.566 0.000 0.855 176 Q CB -0.594 27.363 28.738 -1.302 0.000 0.918 176 Q HN 0.312 nan 8.270 nan 0.000 0.444 177 V N 0.206 119.994 119.914 -0.210 0.000 2.287 177 V HA -0.313 3.808 4.120 0.001 0.000 0.248 177 V C 2.095 178.304 176.094 0.192 0.000 1.053 177 V CA 2.304 64.541 62.300 -0.104 0.000 1.027 177 V CB -0.971 30.683 31.823 -0.280 0.000 0.646 177 V HN 0.472 nan 8.190 nan 0.000 0.447 178 T N -1.091 113.661 114.554 0.331 0.000 2.746 178 T HA -0.225 4.125 4.350 0.001 0.000 0.267 178 T C 1.542 176.516 174.700 0.457 0.000 1.039 178 T CA 1.631 64.021 62.100 0.483 0.000 1.142 178 T CB -0.314 68.927 68.868 0.622 0.000 0.866 178 T HN 0.682 nan 8.240 nan 0.000 0.444 179 W N 2.180 123.576 121.300 0.160 0.000 2.354 179 W HA 0.022 4.682 4.660 0.001 0.000 0.315 179 W C 1.265 177.844 176.519 0.099 0.000 1.206 179 W CA 0.562 57.944 57.345 0.062 0.000 1.290 179 W CB -0.793 28.521 29.460 -0.243 0.000 1.152 179 W HN 0.003 nan 8.180 nan 0.000 0.489 183 D N 0.723 120.976 120.400 -0.245 0.000 2.218 183 D HA -0.010 4.630 4.640 0.001 0.000 0.204 183 D C 1.837 178.048 176.300 -0.149 0.000 0.976 183 D CA 0.800 54.602 54.000 -0.331 0.000 0.853 183 D CB -0.243 40.148 40.800 -0.681 0.000 0.939 183 D HN 0.330 nan 8.370 nan 0.000 0.481 184 R N 0.447 120.829 120.500 -0.196 0.000 2.159 184 R HA -0.068 4.272 4.340 0.001 0.000 0.237 184 R C 2.228 178.563 176.300 0.058 0.000 1.131 184 R CA 0.948 56.957 56.100 -0.152 0.000 0.982 184 R CB -1.001 28.897 30.300 -0.671 0.000 0.868 184 R HN 0.242 nan 8.270 nan 0.000 0.453 185 G N 1.059 109.901 108.800 0.070 0.000 2.432 185 G HA2 -0.132 3.829 3.960 0.001 0.000 0.219 185 G HA3 -0.132 3.829 3.960 0.001 0.000 0.219 185 G C 0.828 175.834 174.900 0.178 0.000 1.135 185 G CA 0.370 45.573 45.100 0.170 0.000 0.767 185 G HN 0.272 nan 8.290 nan 0.000 0.550 186 I N 1.957 122.616 120.570 0.149 0.000 2.495 186 I HA 0.276 4.447 4.170 0.001 0.000 0.277 186 I C -2.526 173.687 176.117 0.160 0.000 1.045 186 I CA -2.319 59.071 61.300 0.149 0.000 1.135 186 I CB 2.392 40.467 38.000 0.124 0.000 1.241 186 I HN -0.135 nan 8.210 nan 0.000 0.469 187 P HA 0.073 nan 4.420 nan 0.000 0.272 187 P C 0.437 177.794 177.300 0.095 0.000 1.223 187 P CA -0.385 62.817 63.100 0.169 0.000 0.784 187 P CB 1.411 33.241 31.700 0.217 0.000 0.923 188 K N 1.015 121.457 120.400 0.071 0.000 2.097 188 K HA -0.049 4.272 4.320 0.001 0.000 0.206 188 K C 0.560 177.176 176.600 0.026 0.000 1.049 188 K CA 1.247 57.527 56.287 -0.011 0.000 0.933 188 K CB 0.056 32.459 32.500 -0.163 0.000 0.717 188 K HN 0.681 nan 8.250 nan 0.000 0.442 189 S N -2.852 112.914 115.700 0.110 0.000 2.636 189 S HA 0.187 4.658 4.470 0.001 0.000 0.268 189 S C 0.436 175.045 174.600 0.015 0.000 1.159 189 S CA -0.937 57.254 58.200 -0.015 0.000 0.815 189 S CB -0.290 62.959 63.200 0.082 0.000 1.130 189 S HN 0.085 nan 8.310 nan 0.000 0.471 190 F N 1.012 120.942 119.950 -0.033 0.000 2.269 190 F HA 0.013 4.540 4.527 0.001 0.000 0.301 190 F C 2.608 178.292 175.800 -0.194 0.000 1.082 190 F CA 0.738 58.573 58.000 -0.274 0.000 1.360 190 F CB -0.148 38.469 39.000 -0.638 0.000 1.041 190 F HN 0.395 nan 8.300 nan 0.000 0.512 191 R N -0.659 119.863 120.500 0.037 0.000 2.280 191 R HA -0.059 4.281 4.340 0.001 0.000 0.207 191 R C 0.184 176.255 176.300 -0.382 0.000 1.043 191 R CA 0.796 56.792 56.100 -0.174 0.000 1.006 191 R CB -0.360 29.735 30.300 -0.341 0.000 0.885 191 R HN 0.400 nan 8.270 nan 0.000 0.467 192 H N -0.233 118.897 119.070 0.101 0.000 2.467 192 H HA 0.232 4.788 4.556 0.001 0.000 0.275 192 H C -0.067 175.378 175.328 0.195 0.000 1.131 192 H CA -0.383 55.722 56.048 0.096 0.000 0.989 192 H CB 0.294 30.086 29.762 0.049 0.000 1.696 192 H HN 0.087 nan 8.280 nan 0.000 0.574 193 M N -1.698 118.135 119.600 0.387 0.000 2.619 193 M HA 0.544 5.024 4.480 0.001 0.000 0.297 193 M C -1.451 175.227 176.300 0.629 0.000 1.229 193 M CA -1.085 54.494 55.300 0.465 0.000 0.860 193 M CB 2.699 35.577 32.600 0.464 0.000 1.741 193 M HN -0.237 nan 8.290 nan 0.000 0.462 194 D N 0.777 121.488 120.400 0.518 0.000 2.432 194 D HA 0.730 5.371 4.640 0.001 0.000 0.258 194 D C -0.370 175.923 176.300 -0.011 0.000 1.146 194 D CA 0.096 54.309 54.000 0.355 0.000 1.015 194 D CB 1.797 42.729 40.800 0.220 0.000 1.107 194 D HN 0.876 nan 8.370 nan 0.000 0.529 195 G N -0.527 107.802 108.800 -0.784 0.000 2.563 195 G HA2 0.637 4.597 3.960 0.001 0.000 0.302 195 G HA3 0.637 4.597 3.960 0.001 0.000 0.302 195 G C -1.570 172.618 174.900 -1.187 0.000 1.301 195 G CA -0.533 43.636 45.100 -1.552 0.000 0.965 195 G HN 0.248 nan 8.290 nan 0.000 0.480 196 F N -0.460 119.244 119.950 -0.409 0.000 2.619 196 F HA 0.498 5.025 4.527 0.001 0.000 0.308 196 F C 1.141 176.818 175.800 -0.205 0.000 1.097 196 F CA -0.459 57.393 58.000 -0.246 0.000 0.953 196 F CB 2.428 41.221 39.000 -0.344 0.000 1.287 196 F HN 0.617 nan 8.300 nan 0.000 0.446 197 G N 0.158 109.042 108.800 0.140 0.000 2.534 197 G HA2 0.135 4.095 3.960 0.001 0.000 0.217 197 G HA3 0.135 4.095 3.960 0.001 0.000 0.217 197 G C 0.910 175.876 174.900 0.110 0.000 1.128 197 G CA 0.925 46.141 45.100 0.193 0.000 0.784 197 G HN 0.735 nan 8.290 nan 0.000 0.542 198 S N -0.772 114.891 115.700 -0.061 0.000 1.694 198 S HA -0.253 4.218 4.470 0.001 0.000 0.236 198 S C 0.822 175.218 174.600 -0.340 0.000 0.821 198 S CA 1.412 59.413 58.200 -0.332 0.000 1.530 198 S CB -1.320 61.577 63.200 -0.505 0.000 1.703 198 S HN 0.695 nan 8.310 nan 0.000 0.517 199 H N 2.746 121.771 119.070 -0.075 0.000 2.871 199 H HA 0.236 4.792 4.556 0.001 0.000 0.355 199 H C 0.547 175.766 175.328 -0.182 0.000 1.092 199 H CA 0.953 56.870 56.048 -0.217 0.000 1.420 199 H CB -0.132 29.337 29.762 -0.488 0.000 1.400 199 H HN 0.411 nan 8.280 nan 0.000 0.604 200 T N 4.195 118.697 114.554 -0.087 0.000 2.867 200 T HA 0.110 4.461 4.350 0.001 0.000 0.297 200 T C 0.402 175.077 174.700 -0.041 0.000 0.989 200 T CA 0.410 62.501 62.100 -0.015 0.000 1.159 200 T CB -0.256 68.697 68.868 0.141 0.000 0.928 200 T HN 0.250 nan 8.240 nan 0.000 0.538 201 F N 0.731 120.847 119.950 0.277 0.000 2.629 201 F HA 0.637 5.164 4.527 0.001 0.000 0.386 201 F C 0.932 176.993 175.800 0.435 0.000 1.135 201 F CA -0.989 57.233 58.000 0.371 0.000 1.116 201 F CB 1.145 40.427 39.000 0.471 0.000 1.426 201 F HN 0.514 nan 8.300 nan 0.000 0.501 202 S N 0.379 116.409 115.700 0.551 0.000 2.542 202 S HA 0.811 5.281 4.470 0.001 0.000 0.293 202 S C -1.359 173.359 174.600 0.196 0.000 1.089 202 S CA -0.835 57.552 58.200 0.312 0.000 0.961 202 S CB 1.542 64.807 63.200 0.108 0.000 1.062 202 S HN 0.508 nan 8.310 nan 0.000 0.483 203 L N 2.246 123.555 121.223 0.143 0.000 2.346 203 L HA 0.618 4.959 4.340 0.001 0.000 0.274 203 L C -0.975 175.988 176.870 0.155 0.000 1.007 203 L CA -1.020 53.907 54.840 0.145 0.000 0.818 203 L CB 1.610 43.764 42.059 0.158 0.000 1.284 203 L HN 0.576 nan 8.230 nan 0.000 0.424 204 I N 2.675 123.308 120.570 0.105 0.000 2.436 204 I HA 0.298 4.469 4.170 0.001 0.000 0.289 204 I C -0.359 175.828 176.117 0.117 0.000 1.010 204 I CA -0.643 60.702 61.300 0.075 0.000 1.098 204 I CB 1.562 39.556 38.000 -0.010 0.000 1.266 204 I HN 0.632 nan 8.210 nan 0.000 0.434 205 N N 4.742 123.542 118.700 0.167 0.000 2.491 205 N HA 0.402 5.143 4.740 0.001 0.000 0.279 205 N C 0.773 176.324 175.510 0.069 0.000 1.236 205 N CA -0.471 52.660 53.050 0.135 0.000 0.982 205 N CB 0.603 39.205 38.487 0.192 0.000 1.194 205 N HN 0.522 nan 8.380 nan 0.000 0.582 206 A N -0.496 122.353 122.820 0.048 0.000 2.070 206 A HA -0.132 4.189 4.320 0.001 0.000 0.220 206 A C 1.425 179.022 177.584 0.023 0.000 1.159 206 A CA 1.046 53.099 52.037 0.027 0.000 0.656 206 A CB -0.510 18.500 19.000 0.018 0.000 0.800 206 A HN 0.598 nan 8.150 nan 0.000 0.453 207 K N -1.129 119.290 120.400 0.031 0.000 2.486 207 K HA 0.125 4.446 4.320 0.001 0.000 0.194 207 K C 1.195 177.800 176.600 0.008 0.000 1.033 207 K CA 0.761 57.060 56.287 0.020 0.000 1.004 207 K CB -0.629 31.887 32.500 0.027 0.000 0.798 207 K HN 0.912 nan 8.250 nan 0.000 0.495 208 G N 1.882 110.687 108.800 0.009 0.000 2.132 208 G HA2 -0.261 3.700 3.960 0.001 0.000 0.234 208 G HA3 -0.261 3.700 3.960 0.001 0.000 0.234 208 G C -0.533 174.335 174.900 -0.053 0.000 0.989 208 G CA -0.049 45.042 45.100 -0.016 0.000 0.676 208 G HN 0.426 nan 8.290 nan 0.000 0.522 209 E N -0.052 120.113 120.200 -0.057 0.000 2.331 209 E HA 0.480 4.830 4.350 0.001 0.000 0.272 209 E C 0.458 176.850 176.600 -0.347 0.000 1.036 209 E CA -0.613 55.659 56.400 -0.213 0.000 0.864 209 E CB 1.237 30.807 29.700 -0.216 0.000 1.035 209 E HN 0.367 nan 8.360 nan 0.000 0.408 210 R N 2.900 123.063 120.500 -0.562 0.000 2.393 210 R HA 0.395 4.735 4.340 0.001 0.000 0.310 210 R C -1.442 174.274 176.300 -0.972 0.000 0.968 210 R CA -0.410 55.337 56.100 -0.589 0.000 0.867 210 R CB 0.581 30.556 30.300 -0.543 0.000 1.124 210 R HN 0.382 nan 8.270 nan 0.000 0.450 211 F N 2.902 122.665 119.950 -0.312 0.000 2.540 211 F HA 0.422 4.949 4.527 0.000 0.000 0.317 211 F C -0.611 175.034 175.800 -0.258 0.000 1.104 211 F CA -0.735 57.086 58.000 -0.300 0.000 0.913 211 F CB 1.127 40.039 39.000 -0.147 0.000 1.170 211 F HN 0.447 nan 8.300 nan 0.000 0.450 212 W N 2.549 123.967 121.300 0.195 0.000 2.218 212 W HA 0.602 5.262 4.660 0.000 0.000 0.326 212 W C -0.445 176.261 176.519 0.311 0.000 1.276 212 W CA -0.802 56.703 57.345 0.268 0.000 1.210 212 W CB 1.019 30.656 29.460 0.294 0.000 1.143 212 W HN 0.297 nan 8.180 nan 0.000 0.563 213 V N 4.110 124.302 119.914 0.464 0.000 2.925 213 V HA 0.505 4.626 4.120 0.001 0.000 0.311 213 V C -0.958 174.968 176.094 -0.281 0.000 1.104 213 V CA -1.172 61.140 62.300 0.020 0.000 0.954 213 V CB 2.019 33.693 31.823 -0.247 0.000 1.022 213 V HN 0.390 nan 8.190 nan 0.000 0.427 214 K N 4.940 125.038 120.400 -0.504 0.000 2.324 214 K HA 0.536 4.857 4.320 0.001 0.000 0.253 214 K C -1.456 174.928 176.600 -0.360 0.000 0.932 214 K CA -0.196 55.812 56.287 -0.464 0.000 0.799 214 K CB 1.961 34.139 32.500 -0.536 0.000 1.154 214 K HN 0.539 nan 8.250 nan 0.000 0.425 215 F N 2.331 122.301 119.950 0.034 0.000 2.408 215 F HA 0.321 4.848 4.527 0.002 0.000 0.344 215 F C 0.911 176.647 175.800 -0.106 0.000 1.112 215 F CA -0.370 57.630 58.000 0.000 0.000 1.096 215 F CB 0.983 40.016 39.000 0.056 0.000 1.129 215 F HN 0.259 nan 8.300 nan 0.000 0.486 216 H N 3.600 122.593 119.070 -0.129 0.000 2.589 216 H HA 0.376 4.933 4.556 0.001 0.000 0.351 216 H C -1.449 173.537 175.328 -0.570 0.000 1.074 216 H CA -0.733 55.151 56.048 -0.275 0.000 1.203 216 H CB 2.008 31.620 29.762 -0.250 0.000 1.558 216 H HN 0.423 nan 8.280 nan 0.000 0.522 217 F N 2.074 121.791 119.950 -0.388 0.000 2.445 217 F HA 0.245 4.773 4.527 0.001 0.000 0.348 217 F C 0.369 176.222 175.800 0.088 0.000 1.125 217 F CA -0.502 57.403 58.000 -0.158 0.000 0.983 217 F CB 0.975 39.781 39.000 -0.324 0.000 1.198 217 F HN 0.460 nan 8.300 nan 0.000 0.436 218 H N 0.837 120.091 119.070 0.307 0.000 2.519 218 H HA 0.208 4.764 4.556 0.001 0.000 0.316 218 H C 0.253 175.757 175.328 0.293 0.000 1.065 218 H CA -0.858 55.354 56.048 0.272 0.000 1.264 218 H CB 1.649 31.512 29.762 0.168 0.000 1.413 218 H HN 0.491 nan 8.280 nan 0.000 0.465 219 T N 3.285 118.038 114.554 0.333 0.000 2.867 219 T HA -0.025 4.326 4.350 0.001 0.000 0.297 219 T C 1.265 175.886 174.700 -0.131 0.000 0.989 219 T CA -0.191 61.793 62.100 -0.193 0.000 1.159 219 T CB 0.298 69.091 68.868 -0.125 0.000 0.928 219 T HN 0.630 nan 8.240 nan 0.000 0.538 220 M N 3.638 123.090 119.600 -0.247 0.000 2.618 220 M HA 0.061 4.541 4.480 0.001 0.000 0.240 220 M C 1.544 177.769 176.300 -0.126 0.000 1.123 220 M CA 0.496 55.728 55.300 -0.114 0.000 1.060 220 M CB 0.141 32.699 32.600 -0.069 0.000 1.535 220 M HN 0.593 nan 8.290 nan 0.000 0.507 221 Q N 0.215 119.890 119.800 -0.208 0.000 2.356 221 Q HA 0.307 4.648 4.340 0.001 0.000 0.205 221 Q C 0.480 176.513 176.000 0.054 0.000 0.901 221 Q CA 0.283 56.004 55.803 -0.136 0.000 0.938 221 Q CB 0.753 29.266 28.738 -0.375 0.000 1.081 221 Q HN 0.481 nan 8.270 nan 0.000 0.517 222 G N -0.343 108.488 108.800 0.051 0.000 2.895 222 G HA2 -0.146 3.814 3.960 0.001 0.000 0.686 222 G HA3 -0.146 3.814 3.960 0.001 0.000 0.686 222 G C -0.749 174.267 174.900 0.193 0.000 1.108 222 G CA -0.719 44.452 45.100 0.119 0.000 0.761 222 G HN 0.035 nan 8.290 nan 0.000 0.611 223 V N 3.186 123.188 119.914 0.146 0.000 2.521 223 V HA 0.500 4.620 4.120 0.001 0.000 0.286 223 V C 0.754 176.929 176.094 0.135 0.000 1.034 223 V CA 0.457 62.860 62.300 0.172 0.000 1.045 223 V CB 0.896 32.805 31.823 0.144 0.000 0.974 223 V HN 0.772 nan 8.190 nan 0.000 0.480 224 K N 4.400 124.884 120.400 0.139 0.000 2.532 224 K HA 0.590 4.910 4.320 0.001 0.000 0.265 224 K C -1.105 175.534 176.600 0.064 0.000 0.948 224 K CA -0.899 55.396 56.287 0.013 0.000 0.842 224 K CB 2.742 35.105 32.500 -0.229 0.000 1.392 224 K HN 0.955 nan 8.250 nan 0.000 0.436 225 H N 0.786 119.839 119.070 -0.029 0.000 2.894 225 H HA 0.557 5.114 4.556 0.001 0.000 0.368 225 H C -1.316 173.999 175.328 -0.021 0.000 1.181 225 H CA -1.007 55.037 56.048 -0.007 0.000 1.146 225 H CB 1.252 31.009 29.762 -0.009 0.000 1.839 225 H HN 0.357 nan 8.280 nan 0.000 0.557 226 L N 1.745 123.016 121.223 0.081 0.000 2.334 226 L HA 0.319 4.660 4.340 0.001 0.000 0.276 226 L C 0.810 177.801 176.870 0.202 0.000 1.014 226 L CA -1.009 53.858 54.840 0.045 0.000 0.815 226 L CB 2.084 44.163 42.059 0.032 0.000 1.268 226 L HN 0.829 nan 8.230 nan 0.000 0.428 227 T N -2.323 112.327 114.554 0.161 0.000 2.828 227 T HA 0.109 4.459 4.350 0.001 0.000 0.290 227 T C 1.093 175.851 174.700 0.096 0.000 1.019 227 T CA -0.661 61.527 62.100 0.147 0.000 1.031 227 T CB 0.727 69.660 68.868 0.109 0.000 1.001 227 T HN 0.508 nan 8.240 nan 0.000 0.531 228 N N 1.400 120.154 118.700 0.090 0.000 2.069 228 N HA -0.172 4.568 4.740 0.001 0.000 0.196 228 N C 1.672 177.221 175.510 0.065 0.000 1.024 228 N CA 1.908 55.007 53.050 0.081 0.000 0.869 228 N CB -0.471 38.067 38.487 0.086 0.000 1.035 228 N HN 0.737 nan 8.380 nan 0.000 0.434 229 E N 0.844 121.080 120.200 0.060 0.000 2.072 229 E HA -0.079 4.272 4.350 0.001 0.000 0.191 229 E C 1.940 178.560 176.600 0.033 0.000 0.985 229 E CA 0.823 57.251 56.400 0.047 0.000 0.801 229 E CB -0.176 29.552 29.700 0.046 0.000 0.750 229 E HN 0.487 nan 8.360 nan 0.000 0.452 230 E N 0.392 120.612 120.200 0.033 0.000 2.077 230 E HA -0.147 4.203 4.350 0.001 0.000 0.193 230 E C 2.018 178.628 176.600 0.017 0.000 0.989 230 E CA 1.036 57.447 56.400 0.018 0.000 0.800 230 E CB -0.158 29.545 29.700 0.006 0.000 0.746 230 E HN 0.281 nan 8.360 nan 0.000 0.452 231 A N 1.429 124.266 122.820 0.028 0.000 1.877 231 A HA -0.172 4.149 4.320 0.001 0.000 0.216 231 A C 2.423 180.017 177.584 0.016 0.000 1.186 231 A CA 1.828 53.881 52.037 0.026 0.000 0.620 231 A CB -0.913 18.114 19.000 0.046 0.000 0.822 231 A HN 0.310 nan 8.150 nan 0.000 0.443 232 A N -0.495 122.336 122.820 0.019 0.000 1.917 232 A HA -0.214 4.106 4.320 0.001 0.000 0.219 232 A C 1.944 179.513 177.584 -0.026 0.000 1.182 232 A CA 1.943 53.981 52.037 0.003 0.000 0.633 232 A CB -0.472 18.537 19.000 0.015 0.000 0.819 232 A HN 0.493 nan 8.150 nan 0.000 0.448 233 E N -0.190 119.999 120.200 -0.018 0.000 2.072 233 E HA -0.118 4.232 4.350 0.001 0.000 0.191 233 E C 2.009 178.590 176.600 -0.033 0.000 0.985 233 E CA 0.999 57.379 56.400 -0.033 0.000 0.801 233 E CB -0.410 29.293 29.700 0.004 0.000 0.750 233 E HN 0.747 nan 8.360 nan 0.000 0.452 234 I N 0.790 121.358 120.570 -0.003 0.000 2.179 234 I HA -0.269 3.901 4.170 0.001 0.000 0.242 234 I C 2.625 178.740 176.117 -0.004 0.000 1.088 234 I CA 1.033 62.341 61.300 0.014 0.000 1.357 234 I CB -0.229 37.777 38.000 0.010 0.000 1.051 234 I HN 0.008 nan 8.210 nan 0.000 0.409 235 R N 1.302 121.790 120.500 -0.021 0.000 2.103 235 R HA -0.231 4.110 4.340 0.001 0.000 0.242 235 R C 2.269 178.536 176.300 -0.055 0.000 1.142 235 R CA 1.906 57.992 56.100 -0.024 0.000 0.960 235 R CB -0.473 29.816 30.300 -0.019 0.000 0.858 235 R HN 0.500 nan 8.270 nan 0.000 0.439 236 K N -0.357 119.963 120.400 -0.134 0.000 2.283 236 K HA -0.149 4.172 4.320 0.001 0.000 0.202 236 K C 0.830 177.263 176.600 -0.278 0.000 1.048 236 K CA 1.758 57.906 56.287 -0.231 0.000 0.948 236 K CB -0.057 32.244 32.500 -0.331 0.000 0.742 236 K HN 0.439 nan 8.250 nan 0.000 0.458 237 H N -1.067 118.006 119.070 0.005 0.000 2.874 237 H HA 0.189 4.746 4.556 0.001 0.000 0.264 237 H C -0.637 174.691 175.328 0.001 0.000 1.007 237 H CA -0.219 55.831 56.048 0.003 0.000 1.207 237 H CB 0.918 30.681 29.762 0.002 0.000 1.487 237 H HN 0.168 nan 8.280 nan 0.000 0.505 238 D N 0.105 120.557 120.400 0.088 0.000 2.351 238 D HA 0.066 4.706 4.640 0.001 0.000 0.235 238 D C -2.317 173.998 176.300 0.024 0.000 1.331 238 D CA -1.766 52.266 54.000 0.053 0.000 0.959 238 D CB 1.398 42.230 40.800 0.053 0.000 1.432 238 D HN -0.051 nan 8.370 nan 0.000 0.544 239 P HA 0.121 nan 4.420 nan 0.000 0.242 239 P C -0.221 177.088 177.300 0.015 0.000 1.197 239 P CA 0.401 63.509 63.100 0.013 0.000 0.765 239 P CB 0.494 32.201 31.700 0.012 0.000 0.936 240 D N -0.583 119.824 120.400 0.011 0.000 2.670 240 D HA 0.037 4.678 4.640 0.001 0.000 0.255 240 D C 1.424 177.728 176.300 0.007 0.000 1.286 240 D CA 0.192 54.200 54.000 0.012 0.000 0.830 240 D CB 0.462 41.261 40.800 -0.003 0.000 1.065 240 D HN 0.188 nan 8.370 nan 0.000 0.486 241 S N 0.527 116.221 115.700 -0.010 0.000 2.399 241 S HA -0.165 4.305 4.470 0.001 0.000 0.231 241 S C 1.613 176.176 174.600 -0.061 0.000 1.022 241 S CA 0.820 59.006 58.200 -0.023 0.000 0.983 241 S CB 0.030 63.214 63.200 -0.028 0.000 0.803 241 S HN 0.105 nan 8.310 nan 0.000 0.480 242 N N 1.297 119.909 118.700 -0.146 0.000 2.333 242 N HA 0.026 4.767 4.740 0.001 0.000 0.178 242 N C 1.844 177.331 175.510 -0.038 0.000 1.018 242 N CA 1.132 53.981 53.050 -0.334 0.000 0.882 242 N CB -0.575 37.274 38.487 -1.063 0.000 0.984 242 N HN 0.560 nan 8.380 nan 0.000 0.434 243 Q N 1.807 121.679 119.800 0.121 0.000 2.050 243 Q HA -0.044 4.297 4.340 0.001 0.000 0.202 243 Q C 2.075 178.201 176.000 0.209 0.000 0.980 243 Q CA 1.512 57.461 55.803 0.243 0.000 0.840 243 Q CB -0.198 28.642 28.738 0.170 0.000 0.898 243 Q HN 0.246 nan 8.270 nan 0.000 0.424 244 R N 0.201 120.772 120.500 0.119 0.000 2.083 244 R HA -0.184 4.157 4.340 0.001 0.000 0.237 244 R C 2.095 178.495 176.300 0.166 0.000 1.137 244 R CA 1.889 58.062 56.100 0.123 0.000 0.951 244 R CB -0.680 29.657 30.300 0.061 0.000 0.851 244 R HN 0.566 nan 8.270 nan 0.000 0.434 245 D N 0.221 120.687 120.400 0.110 0.000 2.106 245 D HA -0.225 4.416 4.640 0.001 0.000 0.191 245 D C 1.940 178.332 176.300 0.154 0.000 0.997 245 D CA 1.616 55.678 54.000 0.103 0.000 0.834 245 D CB 0.001 40.826 40.800 0.041 0.000 0.956 245 D HN 0.245 nan 8.370 nan 0.000 0.448 246 L N -0.024 121.325 121.223 0.210 0.000 2.027 246 L HA -0.079 4.262 4.340 0.001 0.000 0.206 246 L C 2.384 179.401 176.870 0.246 0.000 1.074 246 L CA 1.447 56.442 54.840 0.258 0.000 0.745 246 L CB -1.039 41.254 42.059 0.390 0.000 0.898 246 L HN 0.059 nan 8.230 nan 0.000 0.433 247 F N 0.597 120.649 119.950 0.170 0.000 2.095 247 F HA -0.256 4.271 4.527 0.001 0.000 0.298 247 F C 2.159 178.035 175.800 0.126 0.000 1.104 247 F CA 2.122 60.214 58.000 0.153 0.000 1.232 247 F CB -0.358 38.727 39.000 0.141 0.000 0.987 247 F HN 0.212 nan 8.300 nan 0.000 0.475 248 D N 0.345 120.938 120.400 0.322 0.000 2.117 248 D HA -0.146 4.494 4.640 0.001 0.000 0.197 248 D C 2.388 178.736 176.300 0.079 0.000 0.987 248 D CA 1.433 55.552 54.000 0.198 0.000 0.829 248 D CB -0.785 40.124 40.800 0.182 0.000 0.961 248 D HN 0.375 nan 8.370 nan 0.000 0.460 249 A N 0.710 123.579 122.820 0.082 0.000 1.883 249 A HA -0.162 4.158 4.320 0.001 0.000 0.217 249 A C 2.376 179.983 177.584 0.039 0.000 1.186 249 A CA 1.099 53.165 52.037 0.049 0.000 0.624 249 A CB -0.761 18.279 19.000 0.066 0.000 0.822 249 A HN 0.207 nan 8.150 nan 0.000 0.444 250 I N -0.380 120.226 120.570 0.061 0.000 2.252 250 I HA -0.222 3.948 4.170 0.001 0.000 0.245 250 I C 2.943 179.087 176.117 0.046 0.000 1.102 250 I CA 0.879 62.259 61.300 0.134 0.000 1.385 250 I CB -0.321 37.723 38.000 0.073 0.000 1.064 250 I HN 0.345 nan 8.210 nan 0.000 0.414 251 A N 1.681 124.427 122.820 -0.123 0.000 1.948 251 A HA -0.240 4.081 4.320 0.001 0.000 0.220 251 A C 2.291 179.859 177.584 -0.026 0.000 1.177 251 A CA 2.113 54.082 52.037 -0.112 0.000 0.636 251 A CB -0.674 18.260 19.000 -0.110 0.000 0.815 251 A HN 0.599 nan 8.150 nan 0.000 0.449 252 R N -1.721 118.760 120.500 -0.032 0.000 2.334 252 R HA 0.358 4.699 4.340 0.001 0.000 0.216 252 R C 1.063 177.278 176.300 -0.141 0.000 0.905 252 R CA 0.828 56.896 56.100 -0.053 0.000 1.064 252 R CB -0.399 29.882 30.300 -0.031 0.000 1.046 252 R HN 0.820 nan 8.270 nan 0.000 0.508 253 G N 1.381 110.036 108.800 -0.242 0.000 2.141 253 G HA2 -0.265 3.695 3.960 0.001 0.000 0.242 253 G HA3 -0.265 3.695 3.960 0.001 0.000 0.242 253 G C -0.489 173.906 174.900 -0.841 0.000 0.982 253 G CA 0.210 44.904 45.100 -0.677 0.000 0.662 253 G HN 0.477 nan 8.290 nan 0.000 0.527 254 D N 0.636 120.785 120.400 -0.418 0.000 2.639 254 D HA 0.367 5.008 4.640 0.001 0.000 0.233 254 D C 0.358 176.597 176.300 -0.102 0.000 1.161 254 D CA -0.537 53.319 54.000 -0.240 0.000 1.003 254 D CB -0.679 40.056 40.800 -0.107 0.000 1.034 254 D HN 0.446 nan 8.370 nan 0.000 0.514 255 Y N 2.743 123.033 120.300 -0.017 0.000 2.480 255 Y HA 0.218 4.768 4.550 0.001 0.000 0.341 255 Y C -1.366 174.513 175.900 -0.034 0.000 1.031 255 Y CA -2.332 55.763 58.100 -0.008 0.000 1.295 255 Y CB 0.445 38.909 38.460 0.006 0.000 1.162 255 Y HN 0.234 nan 8.280 nan 0.000 0.523 256 P HA 0.126 nan 4.420 nan 0.000 0.271 256 P C -1.090 176.157 177.300 -0.088 0.000 1.216 256 P CA -0.293 62.740 63.100 -0.111 0.000 0.776 256 P CB 1.265 32.881 31.700 -0.140 0.000 0.881 257 K N 2.045 122.265 120.400 -0.299 0.000 2.385 257 K HA 0.585 4.906 4.320 0.001 0.000 0.248 257 K C -0.809 175.677 176.600 -0.191 0.000 0.955 257 K CA -0.528 55.740 56.287 -0.031 0.000 0.816 257 K CB 2.356 34.879 32.500 0.039 0.000 1.250 257 K HN 0.512 nan 8.250 nan 0.000 0.434 258 W N 1.572 123.039 121.300 0.278 0.000 3.022 258 W HA 0.330 4.991 4.660 0.001 0.000 0.335 258 W C -0.531 176.181 176.519 0.322 0.000 1.133 258 W CA -0.734 56.827 57.345 0.361 0.000 1.219 258 W CB 2.173 31.982 29.460 0.582 0.000 1.409 258 W HN 0.416 nan 8.180 nan 0.000 0.507 259 K N 3.031 123.686 120.400 0.424 0.000 2.234 259 K HA 0.356 4.677 4.320 0.001 0.000 0.277 259 K C -0.775 175.886 176.600 0.101 0.000 1.038 259 K CA -0.658 55.777 56.287 0.248 0.000 0.888 259 K CB 1.164 33.754 32.500 0.150 0.000 1.091 259 K HN 0.385 nan 8.250 nan 0.000 0.467 260 L N 3.496 124.738 121.223 0.031 0.000 2.290 260 L HA 0.314 4.655 4.340 0.001 0.000 0.284 260 L C -1.128 175.622 176.870 -0.200 0.000 1.078 260 L CA 0.703 55.339 54.840 -0.341 0.000 0.815 260 L CB 1.156 43.065 42.059 -0.250 0.000 1.162 260 L HN 0.602 nan 8.230 nan 0.000 0.435 261 S N 5.561 121.092 115.700 -0.283 0.000 2.599 261 S HA 0.779 5.250 4.470 0.001 0.000 0.287 261 S C -0.635 173.868 174.600 -0.163 0.000 1.105 261 S CA -0.628 57.455 58.200 -0.195 0.000 0.899 261 S CB 1.738 64.808 63.200 -0.217 0.000 1.100 261 S HN 0.680 nan 8.310 nan 0.000 0.482 262 I N -0.671 119.806 120.570 -0.154 0.000 2.785 262 I HA 0.626 4.797 4.170 0.001 0.000 0.302 262 I C -1.012 175.027 176.117 -0.131 0.000 1.069 262 I CA -1.025 60.179 61.300 -0.160 0.000 1.045 262 I CB 1.725 39.565 38.000 -0.268 0.000 1.236 262 I HN 0.437 nan 8.210 nan 0.000 0.429 263 Q N 2.957 122.715 119.800 -0.070 0.000 2.222 263 Q HA 0.686 5.026 4.340 0.001 0.000 0.252 263 Q C -1.226 174.822 176.000 0.080 0.000 0.926 263 Q CA -0.958 54.890 55.803 0.075 0.000 0.899 263 Q CB 2.950 31.856 28.738 0.280 0.000 1.250 263 Q HN 0.564 nan 8.270 nan 0.000 0.441 264 V N 3.041 122.989 119.914 0.057 0.000 2.443 264 V HA 0.389 4.509 4.120 0.001 0.000 0.293 264 V C -0.670 175.400 176.094 -0.041 0.000 1.021 264 V CA -0.597 61.648 62.300 -0.092 0.000 0.848 264 V CB 1.561 33.014 31.823 -0.616 0.000 0.998 264 V HN 0.781 nan 8.190 nan 0.000 0.424 265 M N 7.744 127.274 119.600 -0.116 0.000 2.167 265 M HA 0.574 5.054 4.480 0.001 0.000 0.333 265 M C -2.772 173.523 176.300 -0.007 0.000 1.030 265 M CA -1.881 53.176 55.300 -0.405 0.000 0.963 265 M CB 2.442 34.274 32.600 -1.279 0.000 1.589 265 M HN 0.323 nan 8.290 nan 0.000 0.431 266 P HA 0.026 nan 4.420 nan 0.000 0.269 266 P C 0.066 177.358 177.300 -0.014 0.000 1.209 266 P CA 0.085 63.232 63.100 0.079 0.000 0.776 266 P CB 0.489 32.252 31.700 0.105 0.000 0.876 267 E N 1.597 121.667 120.200 -0.217 0.000 2.114 267 E HA -0.267 4.084 4.350 0.001 0.000 0.199 267 E C 0.799 177.506 176.600 0.180 0.000 1.008 267 E CA 1.638 57.921 56.400 -0.196 0.000 0.810 267 E CB 0.099 29.621 29.700 -0.296 0.000 0.739 267 E HN 0.543 nan 8.360 nan 0.000 0.456 268 E N -0.176 120.033 120.200 0.015 0.000 2.476 268 E HA -0.062 4.289 4.350 0.001 0.000 0.191 268 E C 0.655 177.285 176.600 0.051 0.000 1.064 268 E CA -0.037 56.358 56.400 -0.008 0.000 0.866 268 E CB 0.290 29.892 29.700 -0.162 0.000 0.952 268 E HN 0.171 nan 8.360 nan 0.000 0.492 269 D N 0.052 120.500 120.400 0.079 0.000 2.317 269 D HA -0.029 4.612 4.640 0.001 0.000 0.211 269 D C 1.713 178.049 176.300 0.060 0.000 0.966 269 D CA 0.552 54.589 54.000 0.061 0.000 0.876 269 D CB 0.073 40.891 40.800 0.030 0.000 0.927 269 D HN 0.194 nan 8.370 nan 0.000 0.519 270 A N 0.580 123.476 122.820 0.127 0.000 2.015 270 A HA -0.163 4.158 4.320 0.001 0.000 0.219 270 A C 2.073 179.703 177.584 0.077 0.000 1.163 270 A CA 1.106 53.178 52.037 0.058 0.000 0.646 270 A CB -0.199 18.950 19.000 0.249 0.000 0.806 270 A HN -0.076 nan 8.150 nan 0.000 0.448 271 K N -0.175 120.297 120.400 0.120 0.000 2.097 271 K HA -0.052 4.269 4.320 0.001 0.000 0.206 271 K C 0.912 177.527 176.600 0.023 0.000 1.049 271 K CA 1.271 57.605 56.287 0.079 0.000 0.933 271 K CB 0.016 32.568 32.500 0.086 0.000 0.717 271 K HN 0.286 nan 8.250 nan 0.000 0.442 272 K N -1.052 119.368 120.400 0.033 0.000 2.438 272 K HA 0.058 4.378 4.320 0.001 0.000 0.206 272 K C -0.149 176.468 176.600 0.028 0.000 1.081 272 K CA -0.490 55.803 56.287 0.010 0.000 1.053 272 K CB 0.009 32.514 32.500 0.009 0.000 0.908 272 K HN -0.008 nan 8.250 nan 0.000 0.556 273 Y N 3.494 123.740 120.300 -0.089 0.000 2.712 273 Y HA -0.137 4.413 4.550 0.000 0.000 0.333 273 Y C 1.511 177.322 175.900 -0.147 0.000 1.225 273 Y CA 0.090 58.129 58.100 -0.102 0.000 1.499 273 Y CB 0.717 39.101 38.460 -0.127 0.000 1.288 273 Y HN 0.109 nan 8.280 nan 0.000 0.575 274 R N 3.087 123.145 120.500 -0.737 0.000 2.285 274 R HA 0.040 4.380 4.340 0.001 0.000 0.213 274 R C -0.667 175.086 176.300 -0.911 0.000 1.068 274 R CA 0.845 56.481 56.100 -0.774 0.000 1.004 274 R CB -0.311 29.475 30.300 -0.856 0.000 0.873 274 R HN 0.385 nan 8.270 nan 0.000 0.467 275 F N 1.349 120.840 119.950 -0.764 0.000 2.458 275 F HA 0.219 4.746 4.527 0.001 0.000 0.336 275 F C 0.526 176.275 175.800 -0.085 0.000 1.114 275 F CA -1.634 56.148 58.000 -0.363 0.000 0.987 275 F CB 1.107 39.895 39.000 -0.353 0.000 1.130 275 F HN 0.022 nan 8.300 nan 0.000 0.458 276 H N 5.619 124.758 119.070 0.115 0.000 3.237 276 H HA -0.001 4.555 4.556 0.001 0.000 0.270 276 H C -1.918 173.452 175.328 0.071 0.000 0.900 276 H CA -1.513 54.589 56.048 0.090 0.000 1.415 276 H CB 0.910 30.767 29.762 0.159 0.000 1.484 276 H HN 0.310 nan 8.280 nan 0.000 0.540 277 P HA -0.034 nan 4.420 nan 0.000 0.233 277 P C 0.027 177.179 177.300 -0.247 0.000 1.167 277 P CA 0.924 63.927 63.100 -0.162 0.000 0.770 277 P CB 0.091 31.262 31.700 -0.881 0.000 0.837 278 F N -1.757 118.417 119.950 0.373 0.000 2.735 278 F HA 0.267 4.795 4.527 0.001 0.000 0.308 278 F C 0.443 176.245 175.800 0.003 0.000 1.112 278 F CA -0.971 57.106 58.000 0.129 0.000 1.235 278 F CB -0.011 39.028 39.000 0.065 0.000 1.027 278 F HN -0.215 nan 8.300 nan 0.000 0.528 279 D N 1.295 121.700 120.400 0.008 0.000 2.359 279 D HA 0.083 4.723 4.640 0.001 0.000 0.230 279 D C 0.830 177.096 176.300 -0.057 0.000 1.118 279 D CA 0.236 54.158 54.000 -0.130 0.000 0.844 279 D CB 1.885 42.522 40.800 -0.271 0.000 1.059 279 D HN 0.077 nan 8.370 nan 0.000 0.493 280 V N 3.931 123.820 119.914 -0.041 0.000 3.510 280 V HA -0.098 4.022 4.120 0.001 0.000 0.270 280 V C 1.889 177.874 176.094 -0.182 0.000 1.201 280 V CA 2.000 64.235 62.300 -0.110 0.000 1.166 280 V CB -0.639 31.142 31.823 -0.070 0.000 0.825 280 V HN 0.776 nan 8.190 nan 0.000 0.484 281 T N -2.490 111.972 114.554 -0.155 0.000 3.148 281 T HA 0.157 4.508 4.350 0.001 0.000 0.253 281 T C 0.571 175.202 174.700 -0.116 0.000 1.134 281 T CA 0.143 62.142 62.100 -0.168 0.000 1.051 281 T CB -0.131 68.661 68.868 -0.127 0.000 0.959 281 T HN 0.485 nan 8.240 nan 0.000 0.525 282 K N 0.817 121.138 120.400 -0.131 0.000 2.443 282 K HA 0.710 5.031 4.320 0.001 0.000 0.251 282 K C -0.475 176.038 176.600 -0.145 0.000 0.972 282 K CA -1.192 55.051 56.287 -0.074 0.000 0.833 282 K CB 2.506 34.988 32.500 -0.030 0.000 1.317 282 K HN 0.289 nan 8.250 nan 0.000 0.441 283 I N -2.982 117.548 120.570 -0.066 0.000 3.100 283 I HA 0.581 4.752 4.170 0.001 0.000 0.312 283 I C -1.013 175.259 176.117 0.259 0.000 1.063 283 I CA -0.967 60.325 61.300 -0.015 0.000 1.031 283 I CB 1.093 39.116 38.000 0.038 0.000 1.243 283 I HN 0.400 nan 8.210 nan 0.000 0.483 284 W N 1.669 123.067 121.300 0.164 0.000 2.361 284 W HA 0.382 5.043 4.660 0.002 0.000 0.309 284 W C -0.652 176.149 176.519 0.470 0.000 1.122 284 W CA -0.943 56.593 57.345 0.319 0.000 1.208 284 W CB -0.163 29.370 29.460 0.121 0.000 1.246 284 W HN 0.306 nan 8.180 nan 0.000 0.490 285 Y N 2.132 122.812 120.300 0.633 0.000 2.526 285 Y HA -0.043 4.508 4.550 0.000 0.000 0.330 285 Y C 2.137 178.266 175.900 0.381 0.000 1.156 285 Y CA -0.143 58.220 58.100 0.438 0.000 1.419 285 Y CB 0.037 38.757 38.460 0.434 0.000 1.250 285 Y HN 0.445 nan 8.280 nan 0.000 0.540 286 T N -1.355 113.443 114.554 0.406 0.000 2.962 286 T HA -0.229 4.121 4.350 0.001 0.000 0.270 286 T C 1.431 176.249 174.700 0.197 0.000 1.088 286 T CA 1.263 63.525 62.100 0.271 0.000 1.127 286 T CB -0.197 68.779 68.868 0.179 0.000 0.883 286 T HN 0.751 nan 8.240 nan 0.000 0.493 287 Q N 1.166 121.088 119.800 0.204 0.000 2.226 287 Q HA -0.159 4.182 4.340 0.001 0.000 0.204 287 Q C 1.306 177.357 176.000 0.085 0.000 0.975 287 Q CA 1.705 57.592 55.803 0.140 0.000 0.866 287 Q CB -0.299 28.532 28.738 0.155 0.000 0.915 287 Q HN 0.433 nan 8.270 nan 0.000 0.440 288 D N -0.513 119.954 120.400 0.111 0.000 2.262 288 D HA 0.015 4.656 4.640 0.001 0.000 0.212 288 D C -0.309 175.596 176.300 -0.659 0.000 0.964 288 D CA 0.795 54.674 54.000 -0.202 0.000 0.875 288 D CB 0.339 41.133 40.800 -0.010 0.000 0.996 288 D HN 0.266 nan 8.370 nan 0.000 0.497 289 Y N 0.404 120.761 120.300 0.096 0.000 2.445 289 Y HA 0.336 4.887 4.550 0.002 0.000 0.332 289 Y C -2.407 173.552 175.900 0.098 0.000 1.037 289 Y CA -2.350 55.794 58.100 0.073 0.000 1.296 289 Y CB 1.926 40.450 38.460 0.108 0.000 1.099 289 Y HN -0.185 nan 8.280 nan 0.000 0.496 290 P HA 0.194 nan 4.420 nan 0.000 0.274 290 P C 0.057 177.384 177.300 0.045 0.000 1.237 290 P CA -0.296 62.855 63.100 0.085 0.000 0.793 290 P CB 1.222 32.951 31.700 0.049 0.000 0.977 294 V N 1.785 121.686 119.914 -0.022 0.000 3.090 294 V HA 0.566 4.687 4.120 0.001 0.000 0.237 294 V C 0.796 176.954 176.094 0.105 0.000 1.209 294 V CA 0.738 63.038 62.300 0.000 0.000 1.209 294 V CB 0.973 32.743 31.823 -0.089 0.000 0.971 294 V HN 0.716 nan 8.190 nan 0.000 0.477 295 G N -0.450 108.439 108.800 0.148 0.000 2.488 295 G HA2 0.626 4.586 3.960 0.001 0.000 0.301 295 G HA3 0.626 4.586 3.960 0.001 0.000 0.301 295 G C -2.163 172.799 174.900 0.104 0.000 1.339 295 G CA -0.573 44.555 45.100 0.047 0.000 0.803 295 G HN 0.028 nan 8.290 nan 0.000 0.482 296 I N 0.087 120.626 120.570 -0.051 0.000 2.545 296 I HA 0.561 4.731 4.170 0.001 0.000 0.292 296 I C -0.518 175.735 176.117 0.227 0.000 1.040 296 I CA -1.193 60.194 61.300 0.145 0.000 1.068 296 I CB 2.221 40.272 38.000 0.084 0.000 1.251 296 I HN 0.381 nan 8.210 nan 0.000 0.424 297 V N 6.183 126.388 119.914 0.486 0.000 2.581 297 V HA 0.527 4.648 4.120 0.001 0.000 0.303 297 V C -0.705 175.597 176.094 0.347 0.000 1.041 297 V CA -0.082 62.510 62.300 0.486 0.000 0.907 297 V CB 1.889 34.083 31.823 0.618 0.000 0.994 297 V HN 0.883 nan 8.190 nan 0.000 0.442 298 E N 5.652 125.961 120.200 0.183 0.000 2.234 298 E HA 0.485 4.836 4.350 0.001 0.000 0.266 298 E C -1.713 174.879 176.600 -0.013 0.000 0.877 298 E CA -0.781 55.696 56.400 0.128 0.000 0.758 298 E CB 1.886 31.637 29.700 0.085 0.000 1.170 298 E HN 0.753 nan 8.360 nan 0.000 0.415 299 L N 4.673 125.908 121.223 0.020 0.000 2.264 299 L HA 0.373 4.714 4.340 0.001 0.000 0.289 299 L C 0.216 176.999 176.870 -0.145 0.000 1.044 299 L CA -0.453 54.334 54.840 -0.088 0.000 0.807 299 L CB 0.586 42.635 42.059 -0.018 0.000 1.192 299 L HN 0.622 nan 8.230 nan 0.000 0.425 300 N N 1.209 119.717 118.700 -0.319 0.000 2.116 300 N HA 0.115 4.855 4.740 0.001 0.000 0.230 300 N C -0.421 174.853 175.510 -0.393 0.000 1.326 300 N CA -0.518 52.050 53.050 -0.803 0.000 0.867 300 N CB 0.661 38.498 38.487 -1.082 0.000 1.174 300 N HN 0.439 nan 8.380 nan 0.000 0.506 301 K N 0.471 120.806 120.400 -0.108 0.000 2.588 301 K HA 0.312 4.633 4.320 0.001 0.000 0.250 301 K C -1.490 175.192 176.600 0.137 0.000 0.972 301 K CA -0.563 55.734 56.287 0.017 0.000 0.821 301 K CB 0.988 33.505 32.500 0.028 0.000 1.249 301 K HN -0.056 nan 8.250 nan 0.000 0.442 302 N N 4.108 122.850 118.700 0.069 0.000 2.497 302 N HA 0.229 4.969 4.740 0.001 0.000 0.271 302 N C -2.519 173.162 175.510 0.284 0.000 1.142 302 N CA -1.291 51.830 53.050 0.118 0.000 0.965 302 N CB 0.828 39.224 38.487 -0.152 0.000 1.077 302 N HN 0.385 nan 8.380 nan 0.000 0.462 303 P HA 0.042 nan 4.420 nan 0.000 0.267 303 P C 0.725 178.213 177.300 0.313 0.000 1.200 303 P CA -0.101 63.245 63.100 0.409 0.000 0.772 303 P CB 0.921 32.821 31.700 0.333 0.000 0.855 304 E N 0.743 121.081 120.200 0.231 0.000 2.107 304 E HA -0.071 4.280 4.350 0.001 0.000 0.191 304 E C 0.469 177.182 176.600 0.189 0.000 0.982 304 E CA 1.297 57.807 56.400 0.183 0.000 0.809 304 E CB -0.076 29.690 29.700 0.111 0.000 0.756 304 E HN 0.444 nan 8.360 nan 0.000 0.459 305 N N -0.645 118.164 118.700 0.182 0.000 2.461 305 N HA -0.006 4.735 4.740 0.001 0.000 0.284 305 N C -0.071 175.564 175.510 0.209 0.000 1.049 305 N CA -0.152 53.011 53.050 0.190 0.000 0.889 305 N CB 1.101 39.677 38.487 0.148 0.000 1.365 305 N HN -0.126 nan 8.380 nan 0.000 0.499 306 Y N 4.582 124.973 120.300 0.151 0.000 2.097 306 Y HA -0.225 4.325 4.550 0.001 0.000 0.282 306 Y C 1.794 177.772 175.900 0.130 0.000 1.152 306 Y CA 1.873 60.060 58.100 0.145 0.000 1.136 306 Y CB -0.210 38.330 38.460 0.134 0.000 0.975 306 Y HN 0.666 nan 8.280 nan 0.000 0.498 307 F N 0.453 120.499 119.950 0.160 0.000 2.102 307 F HA -0.169 4.359 4.527 0.001 0.000 0.298 307 F C 2.307 178.066 175.800 -0.069 0.000 1.105 307 F CA 1.885 59.917 58.000 0.053 0.000 1.239 307 F CB -0.833 38.220 39.000 0.089 0.000 0.991 307 F HN 0.069 nan 8.300 nan 0.000 0.474 308 A N -0.468 122.431 122.820 0.132 0.000 1.969 308 A HA -0.111 4.210 4.320 0.001 0.000 0.218 308 A C 2.023 179.499 177.584 -0.181 0.000 1.169 308 A CA 1.853 53.902 52.037 0.021 0.000 0.635 308 A CB -0.561 18.507 19.000 0.112 0.000 0.810 308 A HN 0.600 nan 8.150 nan 0.000 0.445 309 E N -1.333 118.750 120.200 -0.195 0.000 2.330 309 E HA 0.085 4.435 4.350 0.001 0.000 0.200 309 E C 1.674 178.002 176.600 -0.452 0.000 0.922 309 E CA 0.626 56.845 56.400 -0.301 0.000 0.935 309 E CB 0.332 29.956 29.700 -0.125 0.000 0.917 309 E HN 0.364 nan 8.360 nan 0.000 0.491 310 V N 0.878 120.543 119.914 -0.414 0.000 2.490 310 V HA -0.085 4.036 4.120 0.001 0.000 0.238 310 V C 2.169 177.991 176.094 -0.453 0.000 1.056 310 V CA 1.308 63.364 62.300 -0.406 0.000 1.075 310 V CB -0.129 31.247 31.823 -0.745 0.000 0.746 310 V HN 0.065 nan 8.190 nan 0.000 0.479 311 E N 0.828 120.665 120.200 -0.605 0.000 2.110 311 E HA -0.232 4.118 4.350 0.001 0.000 0.193 311 E C 2.122 178.439 176.600 -0.472 0.000 0.988 311 E CA 1.600 57.736 56.400 -0.440 0.000 0.804 311 E CB -0.208 29.231 29.700 -0.436 0.000 0.745 311 E HN 0.620 nan 8.360 nan 0.000 0.458 312 Q N -0.405 119.044 119.800 -0.585 0.000 2.403 312 Q HA 0.245 4.586 4.340 0.001 0.000 0.203 312 Q C -0.057 175.704 176.000 -0.399 0.000 0.932 312 Q CA 0.211 55.721 55.803 -0.487 0.000 0.945 312 Q CB 0.415 28.866 28.738 -0.478 0.000 1.045 312 Q HN 0.230 nan 8.270 nan 0.000 0.511 313 A N 1.035 123.612 122.820 -0.406 0.000 2.511 313 A HA 0.468 4.789 4.320 0.001 0.000 0.242 313 A C -0.199 177.105 177.584 -0.465 0.000 1.069 313 A CA 0.229 51.973 52.037 -0.489 0.000 0.763 313 A CB 0.251 19.027 19.000 -0.373 0.000 1.001 313 A HN 0.264 nan 8.150 nan 0.000 0.498 314 A N 2.056 124.479 122.820 -0.661 0.000 2.359 314 A HA 0.770 5.091 4.320 0.001 0.000 0.303 314 A C -1.015 176.166 177.584 -0.672 0.000 1.066 314 A CA -0.417 51.187 52.037 -0.721 0.000 0.730 314 A CB 0.639 19.060 19.000 -0.965 0.000 1.211 314 A HN 0.705 nan 8.150 nan 0.000 0.439 315 F N 0.587 120.475 119.950 -0.103 0.000 2.540 315 F HA 0.739 5.267 4.527 0.001 0.000 0.317 315 F C 0.522 176.446 175.800 0.205 0.000 1.104 315 F CA -0.458 57.534 58.000 -0.014 0.000 0.913 315 F CB 2.799 41.706 39.000 -0.154 0.000 1.170 315 F HN 0.469 nan 8.300 nan 0.000 0.450 316 T N 2.615 117.322 114.554 0.254 0.000 2.881 316 T HA 0.405 4.756 4.350 0.001 0.000 0.290 316 T C -2.341 172.294 174.700 -0.108 0.000 1.000 316 T CA -2.224 59.896 62.100 0.033 0.000 0.978 316 T CB 1.865 70.832 68.868 0.165 0.000 0.997 316 T HN 0.227 nan 8.240 nan 0.000 0.443 317 P HA 0.018 nan 4.420 nan 0.000 0.221 317 P C 1.254 178.629 177.300 0.126 0.000 1.145 317 P CA 0.851 63.898 63.100 -0.089 0.000 0.795 317 P CB 0.053 31.642 31.700 -0.185 0.000 0.775 318 A N -0.848 122.003 122.820 0.052 0.000 2.070 318 A HA -0.132 4.189 4.320 0.001 0.000 0.220 318 A C 1.231 179.001 177.584 0.311 0.000 1.159 318 A CA 1.087 53.224 52.037 0.166 0.000 0.656 318 A CB -1.087 17.957 19.000 0.073 0.000 0.800 318 A HN 0.144 nan 8.150 nan 0.000 0.453 319 N N 0.845 119.678 118.700 0.221 0.000 2.739 319 N HA 0.308 5.048 4.740 0.001 0.000 0.266 319 N C -0.051 175.625 175.510 0.276 0.000 1.168 319 N CA 0.286 53.457 53.050 0.201 0.000 1.055 319 N CB 0.541 39.106 38.487 0.130 0.000 1.393 319 N HN 0.366 nan 8.380 nan 0.000 0.514 320 V N -0.739 119.313 119.914 0.231 0.000 3.406 320 V HA 0.784 4.905 4.120 0.001 0.000 0.305 320 V C 0.520 176.602 176.094 -0.019 0.000 1.136 320 V CA -0.857 61.505 62.300 0.104 0.000 1.011 320 V CB 1.446 33.251 31.823 -0.030 0.000 1.221 320 V HN 0.124 nan 8.190 nan 0.000 0.454 321 V N -4.397 115.408 119.914 -0.181 0.000 3.078 321 V HA 0.719 4.840 4.120 0.001 0.000 0.311 321 V C -2.964 173.029 176.094 -0.169 0.000 1.138 321 V CA -2.756 59.454 62.300 -0.151 0.000 1.007 321 V CB 1.230 32.943 31.823 -0.183 0.000 1.045 321 V HN 0.797 nan 8.190 nan 0.000 0.432 322 P HA 0.298 nan 4.420 nan 0.000 0.261 322 P C 0.999 178.236 177.300 -0.105 0.000 1.173 322 P CA 2.060 65.108 63.100 -0.087 0.000 0.760 322 P CB 0.554 32.225 31.700 -0.049 0.000 0.783 323 G N 2.177 110.928 108.800 -0.082 0.000 2.195 323 G HA2 -0.202 3.759 3.960 0.001 0.000 0.246 323 G HA3 -0.202 3.759 3.960 0.001 0.000 0.246 323 G C -0.005 174.852 174.900 -0.071 0.000 0.984 323 G CA -0.259 44.809 45.100 -0.054 0.000 0.633 323 G HN 0.506 nan 8.290 nan 0.000 0.525 324 I N 0.402 120.882 120.570 -0.152 0.000 2.582 324 I HA 0.684 4.854 4.170 0.001 0.000 0.292 324 I C 0.577 176.606 176.117 -0.146 0.000 1.066 324 I CA -0.431 60.779 61.300 -0.150 0.000 1.053 324 I CB 2.069 39.827 38.000 -0.404 0.000 1.241 324 I HN 0.262 nan 8.210 nan 0.000 0.421 325 G N 3.811 112.582 108.800 -0.047 0.000 2.975 325 G HA2 0.626 4.587 3.960 0.001 0.000 0.291 325 G HA3 0.626 4.587 3.960 0.001 0.000 0.291 325 G C -1.523 173.410 174.900 0.055 0.000 1.334 325 G CA -0.483 44.493 45.100 -0.206 0.000 0.843 325 G HN 0.459 nan 8.290 nan 0.000 0.548 326 Y N -0.266 120.160 120.300 0.210 0.000 2.534 326 Y HA 0.673 5.224 4.550 0.001 0.000 0.338 326 Y C 1.063 177.046 175.900 0.138 0.000 1.279 326 Y CA -0.134 58.065 58.100 0.165 0.000 1.436 326 Y CB 1.628 40.125 38.460 0.062 0.000 1.573 326 Y HN 0.690 nan 8.280 nan 0.000 0.567 327 S N -0.473 115.324 115.700 0.162 0.000 2.607 327 S HA 0.385 4.855 4.470 0.001 0.000 0.273 327 S C -2.868 171.599 174.600 -0.221 0.000 1.148 327 S CA -1.462 56.712 58.200 -0.045 0.000 0.833 327 S CB 1.824 64.985 63.200 -0.065 0.000 1.130 327 S HN 0.375 nan 8.310 nan 0.000 0.470 328 P HA 0.169 nan 4.420 nan 0.000 0.249 328 P C -0.539 176.598 177.300 -0.272 0.000 1.593 328 P CA 0.024 62.910 63.100 -0.357 0.000 0.896 328 P CB -0.685 30.781 31.700 -0.390 0.000 1.581 329 D N 1.022 121.316 120.400 -0.178 0.000 2.382 329 D HA -0.007 4.634 4.640 0.001 0.000 0.259 329 D C 1.234 177.491 176.300 -0.072 0.000 1.224 329 D CA 0.062 54.047 54.000 -0.025 0.000 0.894 329 D CB 0.798 41.575 40.800 -0.038 0.000 1.127 329 D HN 0.026 nan 8.370 nan 0.000 0.487 330 R N 3.270 123.790 120.500 0.033 0.000 2.120 330 R HA -0.116 4.225 4.340 0.001 0.000 0.234 330 R C 1.994 178.291 176.300 -0.004 0.000 1.123 330 R CA 0.911 57.035 56.100 0.039 0.000 0.975 330 R CB 0.008 30.399 30.300 0.151 0.000 0.866 330 R HN 0.558 nan 8.270 nan 0.000 0.446 331 M N 0.231 119.827 119.600 -0.005 0.000 2.077 331 M HA -0.135 4.346 4.480 0.001 0.000 0.261 331 M C 2.311 178.452 176.300 -0.264 0.000 1.070 331 M CA 1.194 56.471 55.300 -0.037 0.000 1.125 331 M CB -0.854 31.825 32.600 0.131 0.000 1.339 331 M HN 0.147 nan 8.290 nan 0.000 0.409 332 L N 1.198 122.041 121.223 -0.634 0.000 2.013 332 L HA -0.229 4.111 4.340 0.001 0.000 0.212 332 L C 2.488 179.117 176.870 -0.402 0.000 1.073 332 L CA 1.958 56.300 54.840 -0.830 0.000 0.753 332 L CB -0.977 40.505 42.059 -0.962 0.000 0.890 332 L HN 0.335 nan 8.230 nan 0.000 0.432 333 Q N -0.362 119.269 119.800 -0.283 0.000 2.096 333 Q HA -0.172 4.169 4.340 0.001 0.000 0.204 333 Q C 2.104 178.035 176.000 -0.115 0.000 0.982 333 Q CA 1.797 57.486 55.803 -0.190 0.000 0.850 333 Q CB -0.796 27.874 28.738 -0.113 0.000 0.901 333 Q HN 0.715 nan 8.270 nan 0.000 0.422 334 G N 0.792 109.550 108.800 -0.070 0.000 2.408 334 G HA2 -0.240 3.720 3.960 0.001 0.000 0.217 334 G HA3 -0.240 3.720 3.960 0.001 0.000 0.217 334 G C 1.500 176.417 174.900 0.028 0.000 1.150 334 G CA 0.364 45.473 45.100 0.015 0.000 0.776 334 G HN 0.264 nan 8.290 nan 0.000 0.542 335 R N -0.088 120.384 120.500 -0.046 0.000 2.127 335 R HA 0.050 4.391 4.340 0.001 0.000 0.238 335 R C 2.498 178.805 176.300 0.012 0.000 1.134 335 R CA 0.691 56.811 56.100 0.033 0.000 0.975 335 R CB -0.429 29.832 30.300 -0.066 0.000 0.865 335 R HN 0.347 nan 8.270 nan 0.000 0.447 336 L N -0.367 120.799 121.223 -0.096 0.000 2.127 336 L HA -0.199 4.142 4.340 0.001 0.000 0.211 336 L C 2.238 179.121 176.870 0.022 0.000 1.089 336 L CA 1.091 55.861 54.840 -0.118 0.000 0.757 336 L CB -0.429 41.472 42.059 -0.263 0.000 0.899 336 L HN 0.169 nan 8.230 nan 0.000 0.434 337 F N 0.003 119.917 119.950 -0.059 0.000 2.147 337 F HA -0.115 4.412 4.527 0.001 0.000 0.291 337 F C 2.783 178.567 175.800 -0.026 0.000 1.093 337 F CA 1.470 59.450 58.000 -0.033 0.000 1.263 337 F CB -0.557 38.422 39.000 -0.034 0.000 1.036 337 F HN -0.087 nan 8.300 nan 0.000 0.481 338 S N -0.729 114.741 115.700 -0.384 0.000 2.382 338 S HA -0.224 4.246 4.470 0.001 0.000 0.228 338 S C 2.082 176.361 174.600 -0.535 0.000 1.027 338 S CA 1.632 59.481 58.200 -0.585 0.000 0.991 338 S CB -0.750 62.266 63.200 -0.306 0.000 0.823 338 S HN 0.541 nan 8.310 nan 0.000 0.469 339 Y N 1.171 121.188 120.300 -0.471 0.000 2.153 339 Y HA 0.073 4.623 4.550 0.001 0.000 0.289 339 Y C 2.917 178.204 175.900 -1.022 0.000 1.127 339 Y CA 0.958 58.683 58.100 -0.625 0.000 1.131 339 Y CB -1.037 37.169 38.460 -0.424 0.000 0.995 339 Y HN 0.395 nan 8.280 nan 0.000 0.505 340 G N -0.355 108.189 108.800 -0.426 0.000 2.469 340 G HA2 -0.378 3.583 3.960 0.001 0.000 0.219 340 G HA3 -0.378 3.583 3.960 0.001 0.000 0.219 340 G C 1.174 175.936 174.900 -0.230 0.000 1.150 340 G CA 1.562 46.544 45.100 -0.198 0.000 0.763 340 G HN 0.424 nan 8.290 nan 0.000 0.561 341 D N -0.550 119.626 120.400 -0.372 0.000 2.092 341 D HA -0.127 4.514 4.640 0.001 0.000 0.193 341 D C 2.487 178.639 176.300 -0.247 0.000 0.994 341 D CA 1.879 55.662 54.000 -0.361 0.000 0.828 341 D CB -0.449 39.849 40.800 -0.836 0.000 0.963 341 D HN 0.191 nan 8.370 nan 0.000 0.450 342 T N -1.785 112.570 114.554 -0.331 0.000 2.904 342 T HA -0.109 4.242 4.350 0.001 0.000 0.267 342 T C 1.547 176.193 174.700 -0.090 0.000 1.059 342 T CA 1.381 63.376 62.100 -0.175 0.000 1.137 342 T CB -0.419 68.319 68.868 -0.217 0.000 0.879 342 T HN 0.347 nan 8.240 nan 0.000 0.467 343 H N 0.320 119.220 119.070 -0.283 0.000 2.319 343 H HA -0.026 4.530 4.556 0.001 0.000 0.299 343 H C 2.716 177.748 175.328 -0.493 0.000 1.092 343 H CA 1.270 56.977 56.048 -0.568 0.000 1.302 343 H CB 0.062 29.151 29.762 -1.122 0.000 1.373 343 H HN 0.264 nan 8.280 nan 0.000 0.497 344 R N -0.075 120.360 120.500 -0.108 0.000 2.096 344 R HA -0.186 4.154 4.340 0.001 0.000 0.235 344 R C 2.140 178.465 176.300 0.042 0.000 1.127 344 R CA 1.599 57.728 56.100 0.049 0.000 0.968 344 R CB -0.370 30.009 30.300 0.131 0.000 0.861 344 R HN 0.394 nan 8.270 nan 0.000 0.440 345 Y N 1.323 121.579 120.300 -0.074 0.000 2.133 345 Y HA -0.156 4.395 4.550 0.001 0.000 0.287 345 Y C 2.462 178.312 175.900 -0.083 0.000 1.134 345 Y CA 1.481 59.539 58.100 -0.070 0.000 1.133 345 Y CB -0.153 38.264 38.460 -0.073 0.000 0.987 345 Y HN -0.169 nan 8.280 nan 0.000 0.502 346 R N -0.334 120.025 120.500 -0.235 0.000 2.115 346 R HA -0.027 4.314 4.340 0.001 0.000 0.226 346 R C 1.412 177.547 176.300 -0.275 0.000 1.100 346 R CA 1.800 57.715 56.100 -0.309 0.000 0.980 346 R CB -0.106 30.123 30.300 -0.118 0.000 0.875 346 R HN 0.502 nan 8.270 nan 0.000 0.445 347 L N -1.364 119.723 121.223 -0.225 0.000 2.840 347 L HA 0.388 4.728 4.340 0.001 0.000 0.249 347 L C 0.392 177.220 176.870 -0.069 0.000 1.119 347 L CA 0.097 54.840 54.840 -0.162 0.000 0.930 347 L CB 1.286 43.225 42.059 -0.201 0.000 1.295 347 L HN 0.399 nan 8.230 nan 0.000 0.534 348 G N -0.053 108.714 108.800 -0.055 0.000 2.663 348 G HA2 -0.193 3.768 3.960 0.001 0.000 0.686 348 G HA3 -0.193 3.768 3.960 0.001 0.000 0.686 348 G C 0.123 175.137 174.900 0.189 0.000 1.246 348 G CA -0.338 44.782 45.100 0.034 0.000 0.795 348 G HN -0.245 nan 8.290 nan 0.000 0.627 349 V N 0.646 120.680 119.914 0.201 0.000 2.469 349 V HA -0.100 4.020 4.120 0.001 0.000 0.251 349 V C 1.897 178.124 176.094 0.221 0.000 1.064 349 V CA 2.493 64.942 62.300 0.247 0.000 1.066 349 V CB -0.327 31.612 31.823 0.194 0.000 0.667 349 V HN 0.667 nan 8.190 nan 0.000 0.461 350 N N -0.163 118.640 118.700 0.171 0.000 2.375 350 N HA 0.027 4.767 4.740 0.001 0.000 0.220 350 N C 1.195 176.724 175.510 0.032 0.000 1.170 350 N CA 0.614 53.713 53.050 0.082 0.000 0.833 350 N CB -0.248 38.306 38.487 0.112 0.000 1.069 350 N HN 0.885 nan 8.380 nan 0.000 0.479 351 Y N 0.586 120.868 120.300 -0.029 0.000 2.315 351 Y HA 0.029 4.580 4.550 0.001 0.000 0.288 351 Y C -1.106 174.708 175.900 -0.142 0.000 1.154 351 Y CA 0.469 58.510 58.100 -0.097 0.000 1.229 351 Y CB -1.595 36.791 38.460 -0.124 0.000 0.980 351 Y HN 0.001 nan 8.280 nan 0.000 0.540 352 P HA -0.085 nan 4.420 nan 0.000 0.234 352 P C 0.722 177.807 177.300 -0.357 0.000 1.167 352 P CA 1.425 64.208 63.100 -0.529 0.000 0.763 352 P CB -0.032 31.318 31.700 -0.583 0.000 0.835 353 Q N -0.947 118.716 119.800 -0.229 0.000 2.424 353 Q HA 0.105 4.446 4.340 0.001 0.000 0.204 353 Q C 0.567 176.492 176.000 -0.125 0.000 0.933 353 Q CA -0.026 55.682 55.803 -0.157 0.000 0.929 353 Q CB -0.044 28.663 28.738 -0.052 0.000 1.037 353 Q HN 0.329 nan 8.270 nan 0.000 0.511 354 I N 2.495 122.990 120.570 -0.125 0.000 2.598 354 I HA -0.041 4.130 4.170 0.001 0.000 0.284 354 I C -1.578 174.446 176.117 -0.155 0.000 1.140 354 I CA -1.532 59.698 61.300 -0.117 0.000 1.420 354 I CB 0.744 38.672 38.000 -0.119 0.000 1.387 354 I HN -0.092 nan 8.210 nan 0.000 0.553 355 P HA -0.218 nan 4.420 nan 0.000 0.216 355 P C 1.708 178.903 177.300 -0.175 0.000 1.154 355 P CA 1.007 64.018 63.100 -0.149 0.000 0.865 355 P CB 0.207 31.835 31.700 -0.120 0.000 0.789 356 V N -0.264 119.527 119.914 -0.204 0.000 2.626 356 V HA -0.168 3.952 4.120 0.001 0.000 0.252 356 V C 1.497 177.471 176.094 -0.201 0.000 1.067 356 V CA 1.945 64.094 62.300 -0.251 0.000 1.081 356 V CB -0.941 30.560 31.823 -0.537 0.000 0.686 356 V HN 0.111 nan 8.190 nan 0.000 0.468 357 N N -0.251 118.308 118.700 -0.235 0.000 2.353 357 N HA 0.060 4.801 4.740 0.001 0.000 0.185 357 N C 0.570 175.967 175.510 -0.189 0.000 1.098 357 N CA 0.225 53.136 53.050 -0.231 0.000 0.872 357 N CB 0.048 38.385 38.487 -0.251 0.000 0.970 357 N HN 0.519 nan 8.380 nan 0.000 0.467 358 K N 2.130 122.418 120.400 -0.187 0.000 2.326 358 K HA 0.160 4.480 4.320 0.001 0.000 0.275 358 K C -2.222 174.280 176.600 -0.163 0.000 1.018 358 K CA -1.290 54.839 56.287 -0.264 0.000 0.962 358 K CB 0.449 32.797 32.500 -0.255 0.000 0.953 358 K HN 0.029 nan 8.250 nan 0.000 0.475 359 P HA 0.155 nan 4.420 nan 0.000 0.274 359 P C -0.339 176.935 177.300 -0.044 0.000 1.237 359 P CA -0.278 62.778 63.100 -0.073 0.000 0.793 359 P CB 0.831 32.454 31.700 -0.129 0.000 0.977 360 R N -0.067 120.448 120.500 0.025 0.000 2.362 360 R HA 0.159 4.499 4.340 0.001 0.000 0.227 360 R C 0.518 176.835 176.300 0.028 0.000 0.905 360 R CA 0.272 56.355 56.100 -0.027 0.000 1.067 360 R CB -1.172 29.079 30.300 -0.081 0.000 1.078 360 R HN 0.636 nan 8.270 nan 0.000 0.516 361 C N -1.418 117.923 119.300 0.068 0.000 2.354 361 C HA 0.738 5.199 4.460 0.001 0.000 0.381 361 C C -2.212 172.839 174.990 0.101 0.000 1.240 361 C CA -2.654 56.408 59.018 0.073 0.000 2.089 361 C CB 1.218 29.004 27.740 0.077 0.000 2.234 361 C HN 0.088 nan 8.230 nan 0.000 0.544 362 P HA 0.426 nan 4.420 nan 0.000 0.269 362 P C -0.861 176.441 177.300 0.004 0.000 1.209 362 P CA 0.266 63.351 63.100 -0.025 0.000 0.776 362 P CB 0.078 31.791 31.700 0.022 0.000 0.876 363 F N -0.566 119.159 119.950 -0.375 0.000 2.601 363 F HA 0.653 5.181 4.527 0.001 0.000 0.309 363 F C -0.895 174.535 175.800 -0.618 0.000 1.089 363 F CA -0.736 57.069 58.000 -0.326 0.000 0.940 363 F CB 1.747 40.614 39.000 -0.223 0.000 1.273 363 F HN 0.261 nan 8.300 nan 0.000 0.450 364 H N 1.476 120.685 119.070 0.231 0.000 3.059 364 H HA 0.252 4.809 4.556 0.001 0.000 0.302 364 H C -1.304 174.264 175.328 0.400 0.000 1.264 364 H CA -0.553 55.699 56.048 0.339 0.000 1.615 364 H CB 1.579 31.520 29.762 0.298 0.000 1.795 364 H HN 0.783 nan 8.280 nan 0.000 0.556 365 S N 1.163 117.168 115.700 0.508 0.000 2.541 365 S HA 0.174 4.645 4.470 0.001 0.000 0.283 365 S C 1.326 175.953 174.600 0.045 0.000 1.196 365 S CA -0.179 58.158 58.200 0.229 0.000 1.062 365 S CB 0.951 64.300 63.200 0.248 0.000 1.009 365 S HN 0.631 nan 8.310 nan 0.000 0.502 366 S N 2.933 118.436 115.700 -0.328 0.000 2.607 366 S HA 0.096 4.567 4.470 0.001 0.000 0.224 366 S C 0.656 175.158 174.600 -0.163 0.000 0.969 366 S CA -0.252 57.702 58.200 -0.410 0.000 0.927 366 S CB -0.306 62.532 63.200 -0.604 0.000 0.772 366 S HN 0.523 nan 8.310 nan 0.000 0.533 367 S N 2.366 118.028 115.700 -0.064 0.000 2.579 367 S HA 0.452 4.922 4.470 0.001 0.000 0.275 367 S C 0.243 174.812 174.600 -0.051 0.000 1.345 367 S CA -0.381 57.812 58.200 -0.012 0.000 1.031 367 S CB 0.365 63.602 63.200 0.062 0.000 0.892 367 S HN 0.380 nan 8.310 nan 0.000 0.529 368 R N 1.209 121.692 120.500 -0.029 0.000 2.774 368 R HA 0.444 4.784 4.340 0.001 0.000 0.272 368 R C -0.471 175.884 176.300 0.091 0.000 1.000 368 R CA -0.541 55.531 56.100 -0.047 0.000 0.906 368 R CB 1.158 31.366 30.300 -0.154 0.000 1.227 368 R HN 0.748 nan 8.270 nan 0.000 0.468 369 D N -0.082 120.423 120.400 0.176 0.000 3.507 369 D HA -0.201 4.439 4.640 0.001 0.000 0.195 369 D C 0.423 176.800 176.300 0.127 0.000 1.323 369 D CA 1.927 56.007 54.000 0.134 0.000 1.106 369 D CB -1.149 39.694 40.800 0.072 0.000 0.619 369 D HN 0.897 nan 8.370 nan 0.000 0.732 370 G N -1.724 107.129 108.800 0.088 0.000 2.787 370 G HA2 -0.099 3.861 3.960 0.001 0.000 0.685 370 G HA3 -0.099 3.861 3.960 0.001 0.000 0.685 370 G C -0.154 174.807 174.900 0.102 0.000 1.437 370 G CA -0.021 45.148 45.100 0.115 0.000 0.872 370 G HN 0.554 nan 8.290 nan 0.000 0.566 374 N N 2.311 121.031 118.700 0.033 0.000 2.409 374 N HA 0.127 4.867 4.740 0.001 0.000 0.179 374 N C 1.003 176.455 175.510 -0.097 0.000 1.032 374 N CA 1.086 54.138 53.050 0.002 0.000 0.898 374 N CB 0.096 38.611 38.487 0.045 0.000 0.971 374 N HN 1.239 nan 8.380 nan 0.000 0.441 375 G N 0.355 108.980 108.800 -0.292 0.000 2.221 375 G HA2 -0.376 3.585 3.960 0.001 0.000 0.265 375 G HA3 -0.376 3.585 3.960 0.001 0.000 0.265 375 G C 0.455 174.951 174.900 -0.673 0.000 1.041 375 G CA 0.551 45.277 45.100 -0.622 0.000 0.807 375 G HN 0.710 nan 8.290 nan 0.000 0.502 376 Y N -0.729 119.232 120.300 -0.565 0.000 2.193 376 Y HA -0.194 4.357 4.550 0.001 0.000 0.285 376 Y C 2.381 178.158 175.900 -0.205 0.000 1.166 376 Y CA 1.856 59.783 58.100 -0.289 0.000 1.181 376 Y CB -0.889 37.475 38.460 -0.160 0.000 0.976 376 Y HN 0.632 nan 8.280 nan 0.000 0.520 377 Y N 0.426 120.308 120.300 -0.697 0.000 2.571 377 Y HA 0.368 4.918 4.550 0.001 0.000 0.294 377 Y C 1.783 177.568 175.900 -0.191 0.000 1.141 377 Y CA -0.677 57.135 58.100 -0.479 0.000 1.308 377 Y CB -1.267 36.783 38.460 -0.683 0.000 1.002 377 Y HN 0.394 nan 8.280 nan 0.000 0.551 378 G N 0.608 109.413 108.800 0.007 0.000 2.611 378 G HA2 -0.374 3.587 3.960 0.001 0.000 0.301 378 G HA3 -0.374 3.587 3.960 0.001 0.000 0.301 378 G C 1.047 176.020 174.900 0.122 0.000 1.233 378 G CA 0.797 45.929 45.100 0.053 0.000 0.993 378 G HN 0.467 nan 8.290 nan 0.000 0.553 379 S N 0.285 116.019 115.700 0.057 0.000 2.701 379 S HA 0.284 4.755 4.470 0.001 0.000 0.220 379 S C 0.841 175.447 174.600 0.011 0.000 0.954 379 S CA 0.433 58.656 58.200 0.037 0.000 0.936 379 S CB -0.057 63.153 63.200 0.017 0.000 0.777 379 S HN 0.698 nan 8.310 nan 0.000 0.518 380 L N 3.845 125.071 121.223 0.004 0.000 2.485 380 L HA 0.112 4.452 4.340 0.001 0.000 0.275 380 L C 0.769 177.592 176.870 -0.077 0.000 1.207 380 L CA -0.150 54.651 54.840 -0.065 0.000 0.855 380 L CB 0.359 42.372 42.059 -0.077 0.000 1.114 380 L HN 0.252 nan 8.230 nan 0.000 0.485 381 Q N 3.301 123.027 119.800 -0.123 0.000 2.414 381 Q HA -0.082 4.258 4.340 0.001 0.000 0.288 381 Q C -0.406 175.595 176.000 0.002 0.000 1.086 381 Q CA 0.505 56.252 55.803 -0.094 0.000 0.943 381 Q CB -0.039 28.538 28.738 -0.269 0.000 1.282 381 Q HN 0.830 nan 8.270 nan 0.000 0.438 382 N N 0.707 119.469 118.700 0.104 0.000 2.235 382 N HA 0.116 4.856 4.740 0.001 0.000 0.231 382 N C -0.867 174.762 175.510 0.199 0.000 1.177 382 N CA -0.325 52.807 53.050 0.138 0.000 0.874 382 N CB 0.023 38.533 38.487 0.039 0.000 1.097 382 N HN 0.632 nan 8.380 nan 0.000 0.518 383 Y N -2.072 118.299 120.300 0.118 0.000 2.615 383 Y HA 0.832 5.382 4.550 0.001 0.000 0.341 383 Y C -0.587 175.387 175.900 0.124 0.000 1.089 383 Y CA -1.190 56.951 58.100 0.069 0.000 1.049 383 Y CB 1.024 39.504 38.460 0.034 0.000 1.296 383 Y HN 0.024 nan 8.280 nan 0.000 0.470 384 T N -0.154 114.496 114.554 0.160 0.000 2.896 384 T HA 0.722 5.072 4.350 0.001 0.000 0.297 384 T C -2.714 172.096 174.700 0.183 0.000 1.108 384 T CA -1.399 60.772 62.100 0.119 0.000 1.004 384 T CB 1.440 70.349 68.868 0.068 0.000 1.159 384 T HN 0.837 nan 8.240 nan 0.000 0.499 385 P HA 0.681 nan 4.420 nan 0.000 0.279 385 P C -0.830 176.561 177.300 0.152 0.000 1.282 385 P CA -0.531 62.636 63.100 0.110 0.000 0.788 385 P CB 1.111 32.859 31.700 0.080 0.000 1.139 386 S N -1.951 113.799 115.700 0.083 0.000 2.547 386 S HA 0.337 4.808 4.470 0.001 0.000 0.270 386 S C 0.569 175.198 174.600 0.048 0.000 1.150 386 S CA -0.495 57.759 58.200 0.091 0.000 0.850 386 S CB 1.050 64.228 63.200 -0.037 0.000 1.118 386 S HN 0.324 nan 8.310 nan 0.000 0.461 387 S N 1.730 117.464 115.700 0.056 0.000 2.501 387 S HA 0.306 4.777 4.470 0.001 0.000 0.220 387 S C 0.518 175.124 174.600 0.010 0.000 0.997 387 S CA 0.137 58.355 58.200 0.030 0.000 0.919 387 S CB -0.346 62.875 63.200 0.034 0.000 0.778 387 S HN 0.527 nan 8.310 nan 0.000 0.523 388 L N 1.465 122.690 121.223 0.003 0.000 2.400 388 L HA 0.439 4.779 4.340 0.001 0.000 0.264 388 L C -2.376 174.460 176.870 -0.057 0.000 1.061 388 L CA -2.590 52.237 54.840 -0.021 0.000 0.799 388 L CB -0.400 41.651 42.059 -0.014 0.000 1.240 388 L HN -0.136 nan 8.230 nan 0.000 0.461 389 P HA 0.245 nan 4.420 nan 0.000 0.266 389 P C -0.215 176.992 177.300 -0.155 0.000 1.193 389 P CA 0.092 63.134 63.100 -0.098 0.000 0.770 389 P CB 0.644 32.287 31.700 -0.094 0.000 0.836 390 G N 0.331 109.023 108.800 -0.179 0.000 2.428 390 G HA2 0.260 4.220 3.960 0.001 0.000 0.305 390 G HA3 0.260 4.220 3.960 0.001 0.000 0.305 390 G C -1.596 173.156 174.900 -0.247 0.000 1.260 390 G CA -0.758 44.181 45.100 -0.269 0.000 0.853 390 G HN 0.279 nan 8.290 nan 0.000 0.480 391 Y N 1.612 121.836 120.300 -0.126 0.000 2.721 391 Y HA 0.278 4.829 4.550 0.001 0.000 0.329 391 Y C 0.843 176.710 175.900 -0.055 0.000 1.211 391 Y CA 0.361 58.413 58.100 -0.081 0.000 1.512 391 Y CB 0.655 39.078 38.460 -0.062 0.000 1.249 391 Y HN -0.079 nan 8.280 nan 0.000 0.549 392 K N 4.435 124.901 120.400 0.111 0.000 2.307 392 K HA 0.269 4.589 4.320 0.001 0.000 0.263 392 K C -0.426 176.223 176.600 0.082 0.000 0.973 392 K CA -0.648 55.678 56.287 0.065 0.000 0.846 392 K CB 1.546 34.059 32.500 0.022 0.000 1.100 392 K HN 0.691 nan 8.250 nan 0.000 0.438 393 E N 1.113 121.352 120.200 0.064 0.000 2.383 393 E HA -0.020 4.331 4.350 0.001 0.000 0.264 393 E C -0.424 176.203 176.600 0.045 0.000 1.050 393 E CA -0.126 56.307 56.400 0.055 0.000 0.896 393 E CB 0.606 30.331 29.700 0.042 0.000 0.982 393 E HN 0.263 nan 8.360 nan 0.000 0.424 394 D N 2.073 122.500 120.400 0.044 0.000 2.479 394 D HA 0.051 4.692 4.640 0.001 0.000 0.218 394 D C 0.055 176.370 176.300 0.026 0.000 1.131 394 D CA -0.108 53.913 54.000 0.034 0.000 0.916 394 D CB 0.415 41.238 40.800 0.037 0.000 1.022 394 D HN 0.257 nan 8.370 nan 0.000 0.515 395 K N 0.878 121.291 120.400 0.021 0.000 2.432 395 K HA -0.063 4.257 4.320 0.001 0.000 0.196 395 K C 1.798 178.405 176.600 0.012 0.000 1.038 395 K CA 0.410 56.707 56.287 0.017 0.000 0.986 395 K CB 0.218 32.728 32.500 0.016 0.000 0.782 395 K HN 0.349 nan 8.250 nan 0.000 0.485 396 S N 0.684 116.391 115.700 0.011 0.000 2.447 396 S HA -0.077 4.394 4.470 0.001 0.000 0.233 396 S C 1.981 176.582 174.600 0.003 0.000 1.006 396 S CA 0.872 59.076 58.200 0.007 0.000 0.957 396 S CB -0.043 63.162 63.200 0.008 0.000 0.773 396 S HN 0.256 nan 8.310 nan 0.000 0.507 397 A N 1.157 123.979 122.820 0.004 0.000 2.238 397 A HA 0.283 4.604 4.320 0.001 0.000 0.208 397 A C 1.156 178.734 177.584 -0.009 0.000 1.177 397 A CA -0.366 51.668 52.037 -0.005 0.000 0.804 397 A CB -0.536 18.464 19.000 0.001 0.000 0.823 397 A HN 0.571 nan 8.150 nan 0.000 0.482 398 R N 1.143 121.642 120.500 -0.001 0.000 2.537 398 R HA -0.043 4.298 4.340 0.001 0.000 0.281 398 R C -0.993 175.301 176.300 -0.011 0.000 0.988 398 R CA 0.059 56.159 56.100 0.000 0.000 1.077 398 R CB 0.119 30.422 30.300 0.006 0.000 0.932 398 R HN 0.237 nan 8.270 nan 0.000 0.409 399 D N 5.332 125.725 120.400 -0.011 0.000 2.348 399 D HA 0.177 4.818 4.640 0.001 0.000 0.253 399 D C -2.075 174.222 176.300 -0.006 0.000 1.161 399 D CA -1.524 52.462 54.000 -0.023 0.000 0.876 399 D CB 0.990 41.779 40.800 -0.019 0.000 1.160 399 D HN 0.325 nan 8.370 nan 0.000 0.459 400 P HA 0.037 nan 4.420 nan 0.000 0.268 400 P C -0.300 177.019 177.300 0.031 0.000 1.208 400 P CA -0.142 62.954 63.100 -0.006 0.000 0.777 400 P CB 0.409 32.090 31.700 -0.032 0.000 0.875 401 K N 0.994 121.415 120.400 0.034 0.000 2.586 401 K HA -0.005 4.316 4.320 0.001 0.000 0.280 401 K C -0.350 176.328 176.600 0.131 0.000 0.972 401 K CA 0.738 57.057 56.287 0.054 0.000 1.040 401 K CB -0.068 32.438 32.500 0.010 0.000 0.870 401 K HN 0.351 nan 8.250 nan 0.000 0.497 402 F N 4.248 124.165 119.950 -0.055 0.000 2.445 402 F HA 0.248 4.775 4.527 0.001 0.000 0.348 402 F C -0.591 175.137 175.800 -0.121 0.000 1.125 402 F CA -1.556 56.411 58.000 -0.056 0.000 0.983 402 F CB 0.763 39.772 39.000 0.015 0.000 1.198 402 F HN 0.356 nan 8.300 nan 0.000 0.436 403 N N 6.616 125.028 118.700 -0.479 0.000 2.414 403 N HA 0.194 4.934 4.740 0.001 0.000 0.256 403 N C 0.804 175.759 175.510 -0.925 0.000 1.029 403 N CA -0.114 52.510 53.050 -0.710 0.000 0.948 403 N CB 0.869 38.881 38.487 -0.793 0.000 1.102 403 N HN 0.871 nan 8.380 nan 0.000 0.496 404 L N 2.568 123.336 121.223 -0.759 0.000 2.275 404 L HA -0.077 4.263 4.340 0.001 0.000 0.215 404 L C 2.136 178.974 176.870 -0.053 0.000 1.119 404 L CA 0.781 55.318 54.840 -0.506 0.000 0.790 404 L CB -0.369 41.548 42.059 -0.236 0.000 0.919 404 L HN 0.576 nan 8.230 nan 0.000 0.443 405 A N -0.427 122.331 122.820 -0.104 0.000 2.076 405 A HA -0.230 4.091 4.320 0.001 0.000 0.220 405 A C 1.864 179.585 177.584 0.228 0.000 1.160 405 A CA 1.377 53.515 52.037 0.168 0.000 0.653 405 A CB -0.923 18.096 19.000 0.032 0.000 0.801 405 A HN 0.558 nan 8.150 nan 0.000 0.455 406 H N -1.032 118.072 119.070 0.058 0.000 2.559 406 H HA 0.118 4.675 4.556 0.002 0.000 0.273 406 H C 1.652 177.107 175.328 0.212 0.000 1.000 406 H CA 0.940 57.075 56.048 0.145 0.000 1.195 406 H CB -0.032 29.861 29.762 0.218 0.000 1.368 406 H HN 0.779 nan 8.280 nan 0.000 0.592 407 I N -2.073 118.659 120.570 0.270 0.000 4.730 407 I HA 0.266 4.436 4.170 0.001 0.000 0.332 407 I C -0.044 176.118 176.117 0.074 0.000 1.299 407 I CA -0.336 61.112 61.300 0.246 0.000 1.294 407 I CB 0.925 39.115 38.000 0.317 0.000 1.317 407 I HN 0.040 nan 8.210 nan 0.000 0.457 408 E N 1.131 121.342 120.200 0.017 0.000 2.437 408 E HA 0.419 4.770 4.350 0.001 0.000 0.280 408 E C -1.061 175.399 176.600 -0.234 0.000 1.044 408 E CA -0.931 55.374 56.400 -0.158 0.000 0.826 408 E CB 1.438 30.965 29.700 -0.288 0.000 1.358 408 E HN -0.000 nan 8.360 nan 0.000 0.459 409 K N -0.197 119.954 120.400 -0.415 0.000 2.380 409 K HA 0.221 4.541 4.320 0.001 0.000 0.198 409 K C -0.332 175.734 176.600 -0.890 0.000 1.070 409 K CA 0.200 56.210 56.287 -0.462 0.000 1.040 409 K CB 0.801 33.164 32.500 -0.228 0.000 0.903 409 K HN 0.368 nan 8.250 nan 0.000 0.549 410 E N -0.102 119.468 120.200 -1.050 0.000 2.212 410 E HA 0.310 4.661 4.350 0.001 0.000 0.268 410 E C -0.689 175.216 176.600 -1.157 0.000 0.902 410 E CA -0.498 55.336 56.400 -0.944 0.000 0.779 410 E CB 1.185 30.565 29.700 -0.532 0.000 1.172 410 E HN 0.011 nan 8.360 nan 0.000 0.409 411 F N 0.003 119.909 119.950 -0.075 0.000 2.856 411 F HA 0.192 4.720 4.527 0.001 0.000 0.338 411 F C 0.240 176.099 175.800 0.098 0.000 1.100 411 F CA -0.546 57.426 58.000 -0.047 0.000 1.150 411 F CB 0.710 39.674 39.000 -0.061 0.000 1.101 411 F HN 0.285 nan 8.300 nan 0.000 0.548 412 E N 1.248 121.669 120.200 0.368 0.000 2.398 412 E HA 0.178 4.528 4.350 0.001 0.000 0.263 412 E C -0.105 176.793 176.600 0.497 0.000 1.046 412 E CA -0.162 56.451 56.400 0.354 0.000 0.908 412 E CB 0.963 30.785 29.700 0.204 0.000 0.963 412 E HN -0.122 nan 8.360 nan 0.000 0.431 413 V N 3.697 123.794 119.914 0.306 0.000 2.479 413 V HA 0.159 4.280 4.120 0.001 0.000 0.281 413 V C -0.567 175.729 176.094 0.336 0.000 1.031 413 V CA 0.235 62.726 62.300 0.317 0.000 1.038 413 V CB -0.480 31.452 31.823 0.182 0.000 0.981 413 V HN 0.586 nan 8.190 nan 0.000 0.478 414 W N 4.536 125.879 121.300 0.071 0.000 2.926 414 W HA 0.348 5.008 4.660 0.001 0.000 0.361 414 W C -0.948 175.469 176.519 -0.169 0.000 1.195 414 W CA -1.336 55.849 57.345 -0.268 0.000 1.177 414 W CB 1.262 30.170 29.460 -0.919 0.000 1.453 414 W HN 0.540 nan 8.180 nan 0.000 0.571 415 N N 2.204 120.622 118.700 -0.469 0.000 2.663 415 N HA 0.112 4.853 4.740 0.001 0.000 0.250 415 N C -1.067 174.084 175.510 -0.599 0.000 1.129 415 N CA -0.109 52.691 53.050 -0.417 0.000 0.995 415 N CB -0.204 38.043 38.487 -0.399 0.000 1.324 415 N HN 0.298 nan 8.380 nan 0.000 0.512 416 W N 1.152 122.354 121.300 -0.164 0.000 2.388 416 W HA 0.158 4.819 4.660 0.001 0.000 0.308 416 W C 0.708 177.179 176.519 -0.080 0.000 1.263 416 W CA -0.616 56.684 57.345 -0.075 0.000 1.286 416 W CB 0.508 30.006 29.460 0.063 0.000 1.294 416 W HN 0.330 nan 8.180 nan 0.000 0.493 417 D N 2.857 123.308 120.400 0.086 0.000 2.412 417 D HA -0.155 4.486 4.640 0.001 0.000 0.257 417 D C 0.794 177.233 176.300 0.231 0.000 1.217 417 D CA 0.426 54.493 54.000 0.111 0.000 0.897 417 D CB 0.339 41.174 40.800 0.059 0.000 1.132 417 D HN 0.523 nan 8.370 nan 0.000 0.493 418 Y N 4.037 124.410 120.300 0.122 0.000 2.256 418 Y HA -0.222 4.329 4.550 0.001 0.000 0.288 418 Y C 2.189 178.166 175.900 0.128 0.000 1.155 418 Y CA 1.123 59.303 58.100 0.133 0.000 1.203 418 Y CB 0.335 38.859 38.460 0.108 0.000 0.980 418 Y HN 0.428 nan 8.280 nan 0.000 0.530 419 R N -0.611 120.089 120.500 0.333 0.000 2.148 419 R HA -0.111 4.229 4.340 0.001 0.000 0.227 419 R C 2.352 178.760 176.300 0.180 0.000 1.103 419 R CA 0.831 57.082 56.100 0.253 0.000 0.983 419 R CB -0.340 30.090 30.300 0.217 0.000 0.874 419 R HN 0.322 nan 8.270 nan 0.000 0.451 420 A N 0.929 123.854 122.820 0.175 0.000 1.968 420 A HA -0.168 4.153 4.320 0.001 0.000 0.217 420 A C 1.667 179.329 177.584 0.130 0.000 1.169 420 A CA 1.568 53.693 52.037 0.146 0.000 0.638 420 A CB -0.188 18.913 19.000 0.170 0.000 0.812 420 A HN 0.260 nan 8.150 nan 0.000 0.446 421 D N -0.968 119.519 120.400 0.146 0.000 2.183 421 D HA -0.036 4.604 4.640 0.001 0.000 0.205 421 D C 0.069 176.434 176.300 0.108 0.000 0.962 421 D CA 0.925 54.978 54.000 0.088 0.000 0.849 421 D CB 0.218 41.031 40.800 0.022 0.000 0.978 421 D HN 0.298 nan 8.370 nan 0.000 0.488 422 D N -0.993 119.517 120.400 0.183 0.000 2.891 422 D HA 0.105 4.745 4.640 0.001 0.000 0.224 422 D C -1.020 175.260 176.300 -0.033 0.000 1.321 422 D CA -0.285 53.793 54.000 0.130 0.000 0.929 422 D CB 1.558 42.550 40.800 0.320 0.000 1.551 422 D HN 0.031 nan 8.370 nan 0.000 0.574 423 S N 1.982 117.521 115.700 -0.269 0.000 2.843 423 S HA 0.127 4.598 4.470 0.001 0.000 0.249 423 S C 0.018 173.994 174.600 -1.041 0.000 1.047 423 S CA -0.666 57.043 58.200 -0.819 0.000 1.042 423 S CB 0.238 63.209 63.200 -0.381 0.000 0.936 423 S HN 0.297 nan 8.310 nan 0.000 0.531 424 D N 1.566 121.611 120.400 -0.591 0.000 2.619 424 D HA 0.243 4.883 4.640 0.001 0.000 0.224 424 D C 0.184 176.288 176.300 -0.327 0.000 1.133 424 D CA -0.587 53.219 54.000 -0.324 0.000 1.017 424 D CB -0.454 40.307 40.800 -0.065 0.000 1.077 424 D HN 0.505 nan 8.370 nan 0.000 0.503 425 Y N -0.025 120.045 120.300 -0.382 0.000 2.475 425 Y HA -0.011 4.540 4.550 0.001 0.000 0.289 425 Y C 0.893 176.444 175.900 -0.581 0.000 1.121 425 Y CA 0.318 58.026 58.100 -0.652 0.000 1.257 425 Y CB 0.153 37.886 38.460 -1.211 0.000 1.026 425 Y HN 0.325 nan 8.280 nan 0.000 0.555 426 Y N -2.362 118.026 120.300 0.146 0.000 2.483 426 Y HA 0.039 4.589 4.550 0.001 0.000 0.258 426 Y C 2.204 178.165 175.900 0.102 0.000 1.083 426 Y CA 0.138 58.308 58.100 0.117 0.000 1.283 426 Y CB -0.158 38.370 38.460 0.113 0.000 1.178 426 Y HN -0.112 nan 8.280 nan 0.000 0.515 427 T N 0.541 115.234 114.554 0.232 0.000 2.652 427 T HA -0.232 4.119 4.350 0.001 0.000 0.267 427 T C 1.733 176.542 174.700 0.182 0.000 1.039 427 T CA 1.923 64.161 62.100 0.229 0.000 1.153 427 T CB -0.249 68.793 68.868 0.291 0.000 0.863 427 T HN 0.391 nan 8.240 nan 0.000 0.428 428 Q N 0.171 120.011 119.800 0.067 0.000 2.046 428 Q HA -0.039 4.301 4.340 0.001 0.000 0.200 428 Q C -0.422 175.352 176.000 -0.377 0.000 0.975 428 Q CA 1.241 56.985 55.803 -0.097 0.000 0.836 428 Q CB -1.100 27.537 28.738 -0.168 0.000 0.896 428 Q HN 0.435 nan 8.270 nan 0.000 0.428 429 P HA -0.162 nan 4.420 nan 0.000 0.216 429 P C 1.337 178.733 177.300 0.160 0.000 1.153 429 P CA 1.933 64.946 63.100 -0.145 0.000 0.858 429 P CB -0.415 31.363 31.700 0.131 0.000 0.789 430 G N 0.032 108.950 108.800 0.198 0.000 2.446 430 G HA2 -0.260 3.700 3.960 0.001 0.000 0.217 430 G HA3 -0.260 3.700 3.960 0.001 0.000 0.217 430 G C 1.239 176.268 174.900 0.215 0.000 1.168 430 G CA 1.036 46.282 45.100 0.244 0.000 0.771 430 G HN 0.178 nan 8.290 nan 0.000 0.551 431 D N -0.601 119.891 120.400 0.154 0.000 2.117 431 D HA -0.125 4.516 4.640 0.001 0.000 0.197 431 D C 1.956 178.306 176.300 0.084 0.000 0.987 431 D CA 0.897 54.963 54.000 0.110 0.000 0.829 431 D CB -0.345 40.521 40.800 0.110 0.000 0.961 431 D HN 0.396 nan 8.370 nan 0.000 0.460 432 Y N 0.364 120.640 120.300 -0.040 0.000 2.163 432 Y HA -0.269 4.281 4.550 0.001 0.000 0.288 432 Y C 2.310 178.220 175.900 0.017 0.000 1.136 432 Y CA 1.254 59.353 58.100 -0.001 0.000 1.147 432 Y CB -0.754 37.712 38.460 0.010 0.000 0.987 432 Y HN -0.006 nan 8.280 nan 0.000 0.509 433 Y N 1.114 121.324 120.300 -0.150 0.000 2.097 433 Y HA -0.246 4.304 4.550 0.001 0.000 0.282 433 Y C 2.482 178.220 175.900 -0.270 0.000 1.152 433 Y CA 2.275 60.196 58.100 -0.299 0.000 1.136 433 Y CB -0.495 37.850 38.460 -0.192 0.000 0.975 433 Y HN 0.011 nan 8.280 nan 0.000 0.498 434 R N -0.067 120.381 120.500 -0.087 0.000 2.193 434 R HA -0.127 4.214 4.340 0.001 0.000 0.229 434 R C 2.492 178.656 176.300 -0.227 0.000 1.110 434 R CA 1.253 57.264 56.100 -0.148 0.000 0.988 434 R CB -0.485 29.840 30.300 0.041 0.000 0.871 434 R HN 0.520 nan 8.270 nan 0.000 0.458 435 S N 0.338 115.898 115.700 -0.234 0.000 2.481 435 S HA -0.001 4.470 4.470 0.001 0.000 0.231 435 S C 0.908 175.316 174.600 -0.320 0.000 0.996 435 S CA 0.229 58.293 58.200 -0.226 0.000 0.942 435 S CB -0.148 62.958 63.200 -0.158 0.000 0.768 435 S HN 0.111 nan 8.310 nan 0.000 0.520 436 L N 2.352 123.287 121.223 -0.480 0.000 2.349 436 L HA 0.419 4.760 4.340 0.001 0.000 0.275 436 L C -2.320 174.321 176.870 -0.380 0.000 1.115 436 L CA -2.449 52.096 54.840 -0.492 0.000 0.820 436 L CB 0.317 41.986 42.059 -0.649 0.000 1.135 436 L HN 0.039 nan 8.230 nan 0.000 0.445 437 P HA 0.004 nan 4.420 nan 0.000 0.269 437 P C 0.145 177.297 177.300 -0.247 0.000 1.215 437 P CA -0.130 62.838 63.100 -0.220 0.000 0.780 437 P CB 0.762 32.363 31.700 -0.165 0.000 0.898 438 A N 2.788 125.493 122.820 -0.192 0.000 1.978 438 A HA -0.212 4.108 4.320 0.001 0.000 0.220 438 A C 1.741 179.216 177.584 -0.181 0.000 1.170 438 A CA 1.986 53.912 52.037 -0.184 0.000 0.636 438 A CB -1.214 17.718 19.000 -0.113 0.000 0.810 438 A HN 0.689 nan 8.150 nan 0.000 0.448 439 D N -0.161 120.149 120.400 -0.149 0.000 2.144 439 D HA -0.219 4.421 4.640 0.001 0.000 0.200 439 D C 1.739 177.936 176.300 -0.173 0.000 0.978 439 D CA 1.429 55.354 54.000 -0.126 0.000 0.833 439 D CB -0.725 40.026 40.800 -0.082 0.000 0.961 439 D HN 0.675 nan 8.370 nan 0.000 0.470 440 E N 1.277 121.345 120.200 -0.220 0.000 2.051 440 E HA -0.198 4.153 4.350 0.001 0.000 0.192 440 E C 2.046 178.439 176.600 -0.345 0.000 0.991 440 E CA 1.000 57.233 56.400 -0.279 0.000 0.799 440 E CB 0.064 29.577 29.700 -0.312 0.000 0.748 440 E HN 0.165 nan 8.360 nan 0.000 0.449 441 K N 0.116 120.257 120.400 -0.432 0.000 2.113 441 K HA -0.192 4.129 4.320 0.001 0.000 0.208 441 K C 2.134 178.265 176.600 -0.782 0.000 1.047 441 K CA 1.498 57.415 56.287 -0.617 0.000 0.928 441 K CB -0.037 32.090 32.500 -0.620 0.000 0.716 441 K HN 0.146 nan 8.250 nan 0.000 0.446 442 E N 0.492 120.418 120.200 -0.456 0.000 2.107 442 E HA -0.106 4.245 4.350 0.001 0.000 0.191 442 E C 1.990 178.497 176.600 -0.156 0.000 0.982 442 E CA 0.920 57.156 56.400 -0.273 0.000 0.809 442 E CB -0.023 29.629 29.700 -0.079 0.000 0.756 442 E HN 0.285 nan 8.360 nan 0.000 0.459 443 R N 0.357 120.766 120.500 -0.153 0.000 2.081 443 R HA -0.110 4.230 4.340 0.001 0.000 0.235 443 R C 2.429 178.693 176.300 -0.059 0.000 1.131 443 R CA 0.834 56.888 56.100 -0.077 0.000 0.960 443 R CB -0.482 29.762 30.300 -0.092 0.000 0.856 443 R HN 0.087 nan 8.270 nan 0.000 0.436 444 L N 0.690 121.828 121.223 -0.142 0.000 2.012 444 L HA -0.211 4.129 4.340 0.001 0.000 0.210 444 L C 1.882 178.780 176.870 0.046 0.000 1.073 444 L CA 1.923 56.719 54.840 -0.074 0.000 0.748 444 L CB -0.684 41.272 42.059 -0.173 0.000 0.891 444 L HN 0.219 nan 8.230 nan 0.000 0.431 445 H N -1.610 117.473 119.070 0.023 0.000 2.352 445 H HA -0.198 4.359 4.556 0.001 0.000 0.299 445 H C 1.872 177.237 175.328 0.062 0.000 1.097 445 H CA 1.196 57.268 56.048 0.040 0.000 1.311 445 H CB -0.001 29.785 29.762 0.041 0.000 1.377 445 H HN 0.475 nan 8.280 nan 0.000 0.504 446 D N -0.270 120.248 120.400 0.197 0.000 2.097 446 D HA -0.113 4.528 4.640 0.001 0.000 0.197 446 D C 2.069 178.439 176.300 0.118 0.000 0.984 446 D CA 1.537 55.646 54.000 0.183 0.000 0.826 446 D CB -0.114 40.791 40.800 0.176 0.000 0.973 446 D HN 0.153 nan 8.370 nan 0.000 0.460 447 T N 0.244 114.867 114.554 0.115 0.000 2.665 447 T HA -0.153 4.198 4.350 0.001 0.000 0.268 447 T C 2.077 176.888 174.700 0.185 0.000 1.035 447 T CA 1.299 63.477 62.100 0.130 0.000 1.151 447 T CB -0.318 68.636 68.868 0.143 0.000 0.862 447 T HN 0.200 nan 8.240 nan 0.000 0.438 448 I N 0.938 121.640 120.570 0.220 0.000 2.202 448 I HA -0.089 4.081 4.170 0.001 0.000 0.242 448 I C 2.943 179.147 176.117 0.145 0.000 1.091 448 I CA 1.318 62.786 61.300 0.280 0.000 1.368 448 I CB -0.815 37.328 38.000 0.238 0.000 1.058 448 I HN 0.320 nan 8.210 nan 0.000 0.410 449 G N 0.278 109.130 108.800 0.086 0.000 2.418 449 G HA2 -0.277 3.684 3.960 0.001 0.000 0.217 449 G HA3 -0.277 3.684 3.960 0.001 0.000 0.217 449 G C 1.601 176.470 174.900 -0.050 0.000 1.158 449 G CA 0.563 45.688 45.100 0.042 0.000 0.771 449 G HN 0.319 nan 8.290 nan 0.000 0.545 450 E N 0.910 120.976 120.200 -0.224 0.000 2.051 450 E HA -0.149 4.202 4.350 0.001 0.000 0.192 450 E C 2.641 179.195 176.600 -0.076 0.000 0.991 450 E CA 1.371 57.474 56.400 -0.495 0.000 0.799 450 E CB -0.521 28.828 29.700 -0.586 0.000 0.748 450 E HN 0.325 nan 8.360 nan 0.000 0.449 451 S N 0.141 115.941 115.700 0.165 0.000 2.348 451 S HA -0.097 4.374 4.470 0.001 0.000 0.221 451 S C 2.253 177.031 174.600 0.297 0.000 1.033 451 S CA 1.155 59.627 58.200 0.454 0.000 1.010 451 S CB -0.303 63.372 63.200 0.792 0.000 0.891 451 S HN 0.329 nan 8.310 nan 0.000 0.442 452 L N 1.056 122.282 121.223 0.004 0.000 2.191 452 L HA -0.059 4.282 4.340 0.001 0.000 0.212 452 L C 2.709 179.497 176.870 -0.137 0.000 1.103 452 L CA 0.984 55.656 54.840 -0.280 0.000 0.769 452 L CB -0.560 41.264 42.059 -0.391 0.000 0.908 452 L HN 0.428 nan 8.230 nan 0.000 0.438 453 A N -1.348 121.395 122.820 -0.128 0.000 2.121 453 A HA -0.185 4.135 4.320 0.001 0.000 0.218 453 A C 1.873 179.302 177.584 -0.259 0.000 1.154 453 A CA 0.993 52.927 52.037 -0.171 0.000 0.679 453 A CB -0.629 18.275 19.000 -0.160 0.000 0.795 453 A HN 0.450 nan 8.150 nan 0.000 0.458 454 H N -0.936 118.030 119.070 -0.173 0.000 2.548 454 H HA 0.120 4.676 4.556 0.001 0.000 0.268 454 H C 0.125 175.429 175.328 -0.040 0.000 0.975 454 H CA 0.412 56.346 56.048 -0.190 0.000 1.195 454 H CB -0.039 29.375 29.762 -0.581 0.000 1.397 454 H HN 0.208 nan 8.280 nan 0.000 0.572 455 V N 2.737 122.714 119.914 0.106 0.000 2.521 455 V HA -0.049 4.071 4.120 0.001 0.000 0.286 455 V C 1.620 177.728 176.094 0.024 0.000 1.034 455 V CA 0.677 63.054 62.300 0.128 0.000 1.045 455 V CB 1.367 33.262 31.823 0.120 0.000 0.974 455 V HN 0.453 nan 8.190 nan 0.000 0.480 456 T N 0.655 115.189 114.554 -0.032 0.000 3.086 456 T HA 0.105 4.455 4.350 0.001 0.000 0.250 456 T C 0.521 175.001 174.700 -0.366 0.000 1.074 456 T CA 0.223 62.198 62.100 -0.209 0.000 0.988 456 T CB -0.220 68.481 68.868 -0.278 0.000 0.988 456 T HN 0.677 nan 8.240 nan 0.000 0.530 457 H N 1.219 120.310 119.070 0.034 0.000 2.685 457 H HA 0.387 4.944 4.556 0.001 0.000 0.307 457 H C 0.731 176.063 175.328 0.008 0.000 1.017 457 H CA -0.598 55.464 56.048 0.023 0.000 1.237 457 H CB 1.997 31.779 29.762 0.034 0.000 1.409 457 H HN 0.184 nan 8.280 nan 0.000 0.488 458 K N 2.540 122.984 120.400 0.073 0.000 2.147 458 K HA -0.167 4.154 4.320 0.001 0.000 0.205 458 K C 0.887 177.501 176.600 0.023 0.000 1.049 458 K CA 1.398 57.700 56.287 0.025 0.000 0.936 458 K CB 0.452 32.954 32.500 0.003 0.000 0.722 458 K HN 0.401 nan 8.250 nan 0.000 0.446 459 E N 0.834 121.061 120.200 0.045 0.000 2.097 459 E HA -0.213 4.138 4.350 0.001 0.000 0.196 459 E C 1.820 178.424 176.600 0.008 0.000 1.000 459 E CA 1.665 58.076 56.400 0.019 0.000 0.804 459 E CB -0.188 29.528 29.700 0.026 0.000 0.740 459 E HN 0.382 nan 8.360 nan 0.000 0.454 460 I N 0.016 120.616 120.570 0.050 0.000 2.202 460 I HA -0.237 3.933 4.170 0.001 0.000 0.242 460 I C 2.080 178.198 176.117 0.001 0.000 1.091 460 I CA 0.732 62.066 61.300 0.057 0.000 1.368 460 I CB -0.228 37.857 38.000 0.142 0.000 1.058 460 I HN 0.014 nan 8.210 nan 0.000 0.410 461 V N 0.801 120.702 119.914 -0.021 0.000 2.295 461 V HA -0.297 3.823 4.120 0.001 0.000 0.246 461 V C 2.093 178.117 176.094 -0.117 0.000 1.049 461 V CA 2.000 64.242 62.300 -0.097 0.000 1.024 461 V CB -0.729 31.040 31.823 -0.090 0.000 0.648 461 V HN 0.389 nan 8.190 nan 0.000 0.447 462 D N -0.015 120.332 120.400 -0.090 0.000 2.104 462 D HA -0.197 4.443 4.640 0.001 0.000 0.194 462 D C 2.165 178.361 176.300 -0.174 0.000 0.994 462 D CA 1.503 55.440 54.000 -0.106 0.000 0.830 462 D CB -0.268 40.489 40.800 -0.073 0.000 0.959 462 D HN 0.400 nan 8.370 nan 0.000 0.452 463 K N 0.168 120.455 120.400 -0.189 0.000 2.097 463 K HA -0.208 4.113 4.320 0.001 0.000 0.206 463 K C 2.074 178.316 176.600 -0.596 0.000 1.049 463 K CA 1.153 57.246 56.287 -0.324 0.000 0.933 463 K CB 0.091 32.466 32.500 -0.209 0.000 0.717 463 K HN -0.087 nan 8.250 nan 0.000 0.442 464 Q N 0.934 120.492 119.800 -0.404 0.000 2.079 464 Q HA -0.053 4.287 4.340 0.001 0.000 0.200 464 Q C 1.934 177.557 176.000 -0.627 0.000 0.974 464 Q CA 1.338 56.844 55.803 -0.495 0.000 0.840 464 Q CB -0.135 28.419 28.738 -0.307 0.000 0.898 464 Q HN 0.349 nan 8.270 nan 0.000 0.430 465 L N 0.326 121.354 121.223 -0.326 0.000 2.042 465 L HA -0.192 4.149 4.340 0.001 0.000 0.210 465 L C 2.478 179.245 176.870 -0.173 0.000 1.076 465 L CA 1.350 56.118 54.840 -0.120 0.000 0.749 465 L CB -0.554 41.471 42.059 -0.058 0.000 0.893 465 L HN 0.273 nan 8.230 nan 0.000 0.432 466 E N -0.322 119.724 120.200 -0.256 0.000 2.097 466 E HA -0.234 4.116 4.350 0.001 0.000 0.196 466 E C 2.187 178.646 176.600 -0.235 0.000 1.000 466 E CA 1.378 57.637 56.400 -0.235 0.000 0.804 466 E CB -0.143 29.406 29.700 -0.252 0.000 0.740 466 E HN 0.551 nan 8.360 nan 0.000 0.454 467 H N -0.565 118.337 119.070 -0.281 0.000 2.357 467 H HA -0.061 4.496 4.556 0.001 0.000 0.301 467 H C 2.204 177.362 175.328 -0.284 0.000 1.082 467 H CA 0.883 56.760 56.048 -0.286 0.000 1.342 467 H CB -0.885 28.786 29.762 -0.151 0.000 1.389 467 H HN 0.243 nan 8.280 nan 0.000 0.511 468 F N 1.196 121.045 119.950 -0.168 0.000 2.126 468 F HA -0.223 4.304 4.527 0.001 0.000 0.299 468 F C 2.687 178.282 175.800 -0.341 0.000 1.096 468 F CA 1.104 58.820 58.000 -0.474 0.000 1.255 468 F CB -0.020 38.589 39.000 -0.651 0.000 0.997 468 F HN 0.102 nan 8.300 nan 0.000 0.479 469 K N 1.151 121.513 120.400 -0.062 0.000 2.057 469 K HA -0.186 4.134 4.320 0.001 0.000 0.207 469 K C 1.813 178.349 176.600 -0.106 0.000 1.049 469 K CA 1.408 57.648 56.287 -0.078 0.000 0.931 469 K CB -0.066 32.385 32.500 -0.081 0.000 0.714 469 K HN 0.130 nan 8.250 nan 0.000 0.440 470 K N -0.139 120.127 120.400 -0.223 0.000 2.211 470 K HA -0.073 4.247 4.320 0.001 0.000 0.203 470 K C 2.095 178.630 176.600 -0.109 0.000 1.050 470 K CA 0.993 57.100 56.287 -0.300 0.000 0.945 470 K CB -0.028 31.968 32.500 -0.839 0.000 0.732 470 K HN 0.226 nan 8.250 nan 0.000 0.451 471 A N 1.081 123.898 122.820 -0.005 0.000 1.854 471 A HA -0.093 4.228 4.320 0.001 0.000 0.214 471 A C 0.753 178.416 177.584 0.132 0.000 1.192 471 A CA 1.106 53.243 52.037 0.167 0.000 0.611 471 A CB 0.178 19.336 19.000 0.263 0.000 0.832 471 A HN 0.260 nan 8.150 nan 0.000 0.442 472 D N -3.210 117.233 120.400 0.071 0.000 2.871 472 D HA 0.249 4.890 4.640 0.001 0.000 0.209 472 D C -2.681 173.627 176.300 0.013 0.000 1.292 472 D CA -1.094 52.942 54.000 0.059 0.000 0.869 472 D CB 1.525 42.381 40.800 0.093 0.000 1.663 472 D HN -0.176 nan 8.370 nan 0.000 0.557 473 P HA -0.067 nan 4.420 nan 0.000 0.218 473 P C 1.013 178.320 177.300 0.011 0.000 1.148 473 P CA 1.136 64.240 63.100 0.007 0.000 0.822 473 P CB 0.467 32.176 31.700 0.014 0.000 0.784 474 K N -1.672 118.762 120.400 0.057 0.000 2.148 474 K HA -0.157 4.163 4.320 0.001 0.000 0.204 474 K C 2.206 178.841 176.600 0.060 0.000 1.050 474 K CA 1.048 57.392 56.287 0.094 0.000 0.942 474 K CB -0.600 32.030 32.500 0.216 0.000 0.724 474 K HN 0.223 nan 8.250 nan 0.000 0.446 475 Y N 0.947 121.071 120.300 -0.293 0.000 2.097 475 Y HA -0.341 4.210 4.550 0.001 0.000 0.282 475 Y C 2.345 178.015 175.900 -0.384 0.000 1.152 475 Y CA 1.017 58.773 58.100 -0.574 0.000 1.136 475 Y CB -0.022 37.827 38.460 -1.020 0.000 0.975 475 Y HN 0.108 nan 8.280 nan 0.000 0.498 476 A N 0.432 123.202 122.820 -0.083 0.000 1.883 476 A HA -0.246 4.074 4.320 0.001 0.000 0.217 476 A C 1.929 179.452 177.584 -0.101 0.000 1.186 476 A CA 2.021 54.012 52.037 -0.077 0.000 0.624 476 A CB -0.805 18.178 19.000 -0.028 0.000 0.822 476 A HN 0.657 nan 8.150 nan 0.000 0.444 477 E N -0.756 119.383 120.200 -0.101 0.000 2.077 477 E HA -0.136 4.215 4.350 0.001 0.000 0.193 477 E C 2.182 178.659 176.600 -0.205 0.000 0.989 477 E CA 0.810 57.144 56.400 -0.111 0.000 0.800 477 E CB -0.422 29.236 29.700 -0.071 0.000 0.746 477 E HN 0.617 nan 8.360 nan 0.000 0.452 478 G N 1.079 109.629 108.800 -0.415 0.000 2.446 478 G HA2 -0.262 3.698 3.960 0.001 0.000 0.217 478 G HA3 -0.262 3.698 3.960 0.001 0.000 0.217 478 G C 1.762 176.355 174.900 -0.511 0.000 1.168 478 G CA 0.980 45.540 45.100 -0.900 0.000 0.771 478 G HN 0.134 nan 8.290 nan 0.000 0.551 479 V N 0.691 120.396 119.914 -0.348 0.000 2.358 479 V HA -0.129 3.992 4.120 0.001 0.000 0.246 479 V C 2.666 178.718 176.094 -0.069 0.000 1.047 479 V CA 2.196 64.418 62.300 -0.129 0.000 1.035 479 V CB -0.427 31.271 31.823 -0.209 0.000 0.658 479 V HN 0.386 nan 8.190 nan 0.000 0.452 480 K N 0.357 120.709 120.400 -0.081 0.000 2.032 480 K HA -0.265 4.056 4.320 0.001 0.000 0.209 480 K C 2.326 178.904 176.600 -0.037 0.000 1.048 480 K CA 1.993 58.252 56.287 -0.048 0.000 0.927 480 K CB -0.170 32.300 32.500 -0.049 0.000 0.712 480 K HN 0.385 nan 8.250 nan 0.000 0.441 481 K N 0.007 120.377 120.400 -0.049 0.000 2.057 481 K HA -0.135 4.186 4.320 0.001 0.000 0.207 481 K C 1.944 178.543 176.600 -0.001 0.000 1.049 481 K CA 1.306 57.575 56.287 -0.030 0.000 0.931 481 K CB -0.164 32.315 32.500 -0.035 0.000 0.714 481 K HN 0.203 nan 8.250 nan 0.000 0.440 482 A N 1.342 124.179 122.820 0.030 0.000 1.898 482 A HA -0.138 4.183 4.320 0.001 0.000 0.216 482 A C 2.043 179.719 177.584 0.154 0.000 1.181 482 A CA 1.324 53.431 52.037 0.115 0.000 0.620 482 A CB -0.621 18.483 19.000 0.172 0.000 0.819 482 A HN 0.410 nan 8.150 nan 0.000 0.442 483 L N 0.275 121.543 121.223 0.075 0.000 1.989 483 L HA -0.202 4.139 4.340 0.001 0.000 0.211 483 L C 2.150 179.037 176.870 0.029 0.000 1.071 483 L CA 2.688 57.554 54.840 0.043 0.000 0.749 483 L CB -0.857 41.195 42.059 -0.012 0.000 0.890 483 L HN 0.534 nan 8.230 nan 0.000 0.431 484 E N -0.270 119.930 120.200 0.001 0.000 2.085 484 E HA -0.315 4.035 4.350 0.001 0.000 0.194 484 E C 2.097 178.679 176.600 -0.029 0.000 0.994 484 E CA 1.749 58.139 56.400 -0.018 0.000 0.801 484 E CB -0.244 29.441 29.700 -0.025 0.000 0.743 484 E HN 0.652 nan 8.360 nan 0.000 0.453 485 K N 0.360 120.735 120.400 -0.041 0.000 2.097 485 K HA -0.161 4.160 4.320 0.001 0.000 0.205 485 K C 1.860 178.356 176.600 -0.173 0.000 1.050 485 K CA 1.457 57.677 56.287 -0.112 0.000 0.938 485 K CB -0.106 32.307 32.500 -0.145 0.000 0.718 485 K HN 0.186 nan 8.250 nan 0.000 0.442 486 H N 0.524 119.569 119.070 -0.041 0.000 2.502 486 H HA 0.032 4.588 4.556 0.001 0.000 0.283 486 H C 1.695 176.968 175.328 -0.092 0.000 1.015 486 H CA 1.152 57.163 56.048 -0.062 0.000 1.298 486 H CB 0.358 30.081 29.762 -0.066 0.000 1.411 486 H HN 0.480 nan 8.280 nan 0.000 0.556 487 Q N 0.456 120.261 119.800 0.008 0.000 2.187 487 Q HA -0.023 4.317 4.340 0.001 0.000 0.199 487 Q C 1.677 177.653 176.000 -0.040 0.000 0.957 487 Q CA 0.592 56.374 55.803 -0.035 0.000 0.857 487 Q CB 0.334 29.049 28.738 -0.039 0.000 0.929 487 Q HN 0.235 nan 8.270 nan 0.000 0.453 488 K N -0.164 120.210 120.400 -0.043 0.000 2.487 488 K HA 0.028 4.349 4.320 0.001 0.000 0.192 488 K C 1.158 177.729 176.600 -0.048 0.000 1.027 488 K CA 0.313 56.573 56.287 -0.045 0.000 1.054 488 K CB 0.230 32.702 32.500 -0.047 0.000 0.824 488 K HN 0.139 nan 8.250 nan 0.000 0.510 489 M N 0.344 119.913 119.600 -0.051 0.000 2.382 489 M HA 0.109 4.589 4.480 0.001 0.000 0.247 489 M C 0.406 176.692 176.300 -0.023 0.000 1.104 489 M CA 0.676 55.951 55.300 -0.041 0.000 1.030 489 M CB 0.502 33.070 32.600 -0.053 0.000 1.424 489 M HN 0.011 nan 8.290 nan 0.000 0.486 490 M N -1.415 118.167 119.600 -0.029 0.000 4.145 490 M HA 0.477 4.958 4.480 0.001 0.000 0.493 490 M C -0.857 175.424 176.300 -0.033 0.000 1.957 490 M CA -0.407 54.875 55.300 -0.029 0.000 0.584 490 M CB 0.421 32.995 32.600 -0.044 0.000 1.446 490 M HN -0.325 nan 8.290 nan 0.000 0.557 491 K N 0.000 120.383 120.400 -0.028 0.000 2.780 491 K HA 0.000 4.321 4.320 0.001 0.000 0.191 491 K CA 0.000 56.272 56.287 -0.025 0.000 0.838 491 K CB 0.000 32.489 32.500 -0.019 0.000 1.064 491 K HN 0.000 nan 8.250 nan 0.000 0.543