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 2e9f_1_A DATA FIRST_RESID 14 DATA SEQUENCE PDALAARFNA SLAFDRALWR EDLWQNRVHA RMLHAVGLLS AEELEAILKG DATA SEQUENCE LDRIEEEIEA GTFPWREELE DVHMNLEARL TELVGPPGGK LHTARSRNDQ DATA SEQUENCE VATDLRLYLR GAIDELLALL LALRRVLVRE AEKHLDPLYV LPGYTHLQRA DATA SEQUENCE QPVLLAHWFL AYYEMLKRDA GRLEDAKERL NESPLGAAAL AGTGFPIDRH DATA SEQUENCE FTARELGFKA PMRNSLDAVA SRDFALEVLS ALNIGMLHLS RMAEELILYS DATA SEQUENCE TEEFGFVEVP DAFATGSSIM PQKKNPDILE LIRAKAGRVL GAFVGLSAVV DATA SEQUENCE KGLPLAYNKD LQEDKEPLLD ALATYRDSLR LLAALLPGLK WRRERMWRAA DATA SEQUENCE EGGYTLATEL ADYLAEKGLP FREAHHVVGR LVRRLVEEGR ALKDLTLEEL DATA SEQUENCE QAHHPLFAED ALPLLRLETA IHRRRSYGGT APEAVRERLE EAKKEVGLD 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 14 P HA 0.000 nan 4.420 nan 0.000 0.216 14 P C 0.000 177.297 177.300 -0.005 0.000 1.155 14 P CA 0.000 63.089 63.100 -0.018 0.000 0.800 14 P CB 0.000 31.688 31.700 -0.020 0.000 0.726 15 D N -1.003 119.396 120.400 -0.001 0.000 4.600 15 D HA -0.245 4.394 4.640 -0.001 0.000 0.165 15 D C 1.278 177.589 176.300 0.018 0.000 0.731 15 D CA 2.104 56.109 54.000 0.009 0.000 1.594 15 D CB -1.818 38.987 40.800 0.008 0.000 0.978 15 D HN 0.553 nan 8.370 nan 0.000 0.494 16 A N 1.143 123.976 122.820 0.020 0.000 2.015 16 A HA 0.045 4.364 4.320 -0.001 0.000 0.219 16 A C 2.394 180.005 177.584 0.045 0.000 1.163 16 A CA 1.667 53.722 52.037 0.031 0.000 0.646 16 A CB -0.464 18.552 19.000 0.027 0.000 0.806 16 A HN 0.436 nan 8.150 nan 0.000 0.448 17 L N -0.521 120.721 121.223 0.032 0.000 1.989 17 L HA -0.222 4.118 4.340 -0.001 0.000 0.211 17 L C 2.855 179.773 176.870 0.080 0.000 1.071 17 L CA 1.623 56.487 54.840 0.039 0.000 0.749 17 L CB -0.480 41.569 42.059 -0.016 0.000 0.890 17 L HN 0.428 nan 8.230 nan 0.000 0.431 18 A N -0.584 122.264 122.820 0.046 0.000 2.076 18 A HA -0.171 4.148 4.320 -0.001 0.000 0.220 18 A C 2.302 179.972 177.584 0.143 0.000 1.160 18 A CA 1.691 53.780 52.037 0.087 0.000 0.653 18 A CB -0.590 18.436 19.000 0.042 0.000 0.801 18 A HN 0.608 nan 8.150 nan 0.000 0.455 19 A N -0.540 122.343 122.820 0.105 0.000 1.878 19 A HA -0.005 4.314 4.320 -0.001 0.000 0.213 19 A C 2.223 179.868 177.584 0.102 0.000 1.192 19 A CA 1.283 53.373 52.037 0.090 0.000 0.619 19 A CB -0.417 18.618 19.000 0.059 0.000 0.837 19 A HN 0.489 nan 8.150 nan 0.000 0.446 20 R N -1.869 118.699 120.500 0.113 0.000 2.115 20 R HA -0.097 4.242 4.340 -0.001 0.000 0.230 20 R C 1.838 178.230 176.300 0.153 0.000 1.111 20 R CA 1.405 57.570 56.100 0.108 0.000 0.976 20 R CB -0.362 29.999 30.300 0.103 0.000 0.870 20 R HN 0.447 nan 8.270 nan 0.000 0.445 21 F N 1.423 121.393 119.950 0.033 0.000 2.171 21 F HA -0.155 4.371 4.527 -0.001 0.000 0.300 21 F C 1.933 177.765 175.800 0.054 0.000 1.090 21 F CA 1.939 59.964 58.000 0.042 0.000 1.293 21 F CB -0.255 38.764 39.000 0.032 0.000 1.013 21 F HN 0.113 nan 8.300 nan 0.000 0.486 22 N N 0.302 119.082 118.700 0.134 0.000 2.368 22 N HA 0.094 4.834 4.740 -0.001 0.000 0.176 22 N C 0.386 175.904 175.510 0.014 0.000 1.021 22 N CA 0.646 53.730 53.050 0.058 0.000 0.888 22 N CB -0.222 38.326 38.487 0.102 0.000 0.995 22 N HN 0.127 nan 8.380 nan 0.000 0.437 23 A N 0.214 123.042 122.820 0.014 0.000 2.566 23 A HA 0.113 4.432 4.320 -0.001 0.000 0.245 23 A C 1.086 178.603 177.584 -0.113 0.000 1.056 23 A CA 0.715 52.729 52.037 -0.037 0.000 0.757 23 A CB -0.186 18.801 19.000 -0.022 0.000 0.979 23 A HN 0.501 nan 8.150 nan 0.000 0.508 24 S N 2.210 117.771 115.700 -0.232 0.000 2.559 24 S HA 0.050 4.519 4.470 -0.001 0.000 0.226 24 S C 1.329 175.386 174.600 -0.906 0.000 1.000 24 S CA 0.342 58.186 58.200 -0.594 0.000 0.948 24 S CB -0.272 62.714 63.200 -0.357 0.000 0.870 24 S HN 0.742 nan 8.310 nan 0.000 0.497 25 L N 2.743 123.682 121.223 -0.474 0.000 2.012 25 L HA 0.124 4.463 4.340 -0.001 0.000 0.210 25 L C 2.668 179.262 176.870 -0.460 0.000 1.073 25 L CA 2.046 56.656 54.840 -0.383 0.000 0.748 25 L CB -1.325 40.639 42.059 -0.160 0.000 0.891 25 L HN 0.390 nan 8.230 nan 0.000 0.431 26 A N -0.329 122.270 122.820 -0.369 0.000 1.985 26 A HA -0.304 4.015 4.320 -0.001 0.000 0.223 26 A C 1.949 179.443 177.584 -0.150 0.000 1.189 26 A CA 2.744 54.659 52.037 -0.204 0.000 0.658 26 A CB -1.164 17.826 19.000 -0.016 0.000 0.820 26 A HN 0.758 nan 8.150 nan 0.000 0.464 27 F N -1.452 118.417 119.950 -0.135 0.000 2.752 27 F HA 0.239 4.766 4.527 -0.001 0.000 0.310 27 F C 1.134 176.842 175.800 -0.152 0.000 1.097 27 F CA 0.161 58.082 58.000 -0.132 0.000 1.238 27 F CB -0.133 38.807 39.000 -0.099 0.000 1.061 27 F HN 0.183 nan 8.300 nan 0.000 0.591 28 D N 1.327 121.434 120.400 -0.490 0.000 2.363 28 D HA -0.090 4.549 4.640 -0.001 0.000 0.226 28 D C 1.440 177.606 176.300 -0.223 0.000 1.020 28 D CA 0.288 54.121 54.000 -0.278 0.000 0.892 28 D CB -0.442 40.133 40.800 -0.375 0.000 0.900 28 D HN 0.366 nan 8.370 nan 0.000 0.531 29 R N 0.764 121.090 120.500 -0.289 0.000 2.120 29 R HA 0.035 4.374 4.340 -0.001 0.000 0.234 29 R C 2.452 178.743 176.300 -0.015 0.000 1.123 29 R CA 1.381 57.288 56.100 -0.322 0.000 0.975 29 R CB -0.554 29.317 30.300 -0.715 0.000 0.866 29 R HN 0.226 nan 8.270 nan 0.000 0.446 30 A N 1.363 124.151 122.820 -0.054 0.000 1.958 30 A HA -0.158 4.161 4.320 -0.001 0.000 0.221 30 A C 1.685 179.206 177.584 -0.104 0.000 1.178 30 A CA 1.403 53.423 52.037 -0.029 0.000 0.642 30 A CB -0.353 18.556 19.000 -0.151 0.000 0.816 30 A HN 0.158 nan 8.150 nan 0.000 0.453 31 L N 0.545 121.676 121.223 -0.154 0.000 2.660 31 L HA -0.004 4.335 4.340 -0.001 0.000 0.238 31 L C 1.984 178.889 176.870 0.058 0.000 1.161 31 L CA 0.117 54.889 54.840 -0.114 0.000 0.937 31 L CB -0.885 41.114 42.059 -0.100 0.000 1.122 31 L HN 0.798 nan 8.230 nan 0.000 0.435 32 W N -0.105 121.201 121.300 0.010 0.000 2.338 32 W HA -0.207 4.452 4.660 -0.001 0.000 0.304 32 W C 1.735 178.307 176.519 0.090 0.000 1.212 32 W CA 0.727 58.110 57.345 0.063 0.000 1.264 32 W CB -0.834 28.679 29.460 0.088 0.000 1.142 32 W HN 0.154 nan 8.180 nan 0.000 0.512 33 R N 0.855 120.920 120.500 -0.725 0.000 2.081 33 R HA -0.147 4.192 4.340 -0.001 0.000 0.235 33 R C 2.161 178.398 176.300 -0.106 0.000 1.131 33 R CA 2.179 57.832 56.100 -0.745 0.000 0.960 33 R CB -0.323 29.366 30.300 -1.018 0.000 0.856 33 R HN 0.102 nan 8.270 nan 0.000 0.436 34 E N 0.562 120.769 120.200 0.012 0.000 2.031 34 E HA -0.182 4.167 4.350 -0.001 0.000 0.193 34 E C 1.609 178.328 176.600 0.199 0.000 0.994 34 E CA 1.286 57.798 56.400 0.187 0.000 0.800 34 E CB -0.329 29.480 29.700 0.182 0.000 0.752 34 E HN 0.174 nan 8.360 nan 0.000 0.447 35 D N -0.078 120.433 120.400 0.184 0.000 2.092 35 D HA -0.158 4.481 4.640 -0.001 0.000 0.193 35 D C 1.931 178.358 176.300 0.212 0.000 0.994 35 D CA 0.695 54.818 54.000 0.204 0.000 0.828 35 D CB -0.240 40.714 40.800 0.258 0.000 0.963 35 D HN 0.070 nan 8.370 nan 0.000 0.450 36 L N -0.160 121.210 121.223 0.245 0.000 2.051 36 L HA -0.186 4.153 4.340 -0.001 0.000 0.214 36 L C 2.150 179.189 176.870 0.282 0.000 1.076 36 L CA 1.723 56.715 54.840 0.254 0.000 0.758 36 L CB -0.483 41.753 42.059 0.295 0.000 0.890 36 L HN 0.284 nan 8.230 nan 0.000 0.433 37 W N 0.560 121.890 121.300 0.050 0.000 2.379 37 W HA -0.221 4.438 4.660 -0.001 0.000 0.307 37 W C 2.688 179.240 176.519 0.055 0.000 1.200 37 W CA 1.780 59.143 57.345 0.031 0.000 1.297 37 W CB -0.834 28.617 29.460 -0.016 0.000 1.140 37 W HN 0.545 nan 8.180 nan 0.000 0.507 38 Q N -0.192 119.654 119.800 0.075 0.000 2.291 38 Q HA -0.182 4.158 4.340 -0.001 0.000 0.205 38 Q C 1.687 177.737 176.000 0.084 0.000 0.970 38 Q CA 1.720 57.488 55.803 -0.058 0.000 0.876 38 Q CB -0.760 27.938 28.738 -0.067 0.000 0.935 38 Q HN 0.126 nan 8.270 nan 0.000 0.455 39 N N 1.186 119.974 118.700 0.147 0.000 2.084 39 N HA -0.102 4.637 4.740 -0.001 0.000 0.190 39 N C 1.688 177.325 175.510 0.210 0.000 1.030 39 N CA 1.546 54.708 53.050 0.186 0.000 0.849 39 N CB -0.189 38.402 38.487 0.173 0.000 1.012 39 N HN 0.365 nan 8.380 nan 0.000 0.423 40 R N 0.444 121.068 120.500 0.207 0.000 2.082 40 R HA -0.044 4.296 4.340 -0.001 0.000 0.234 40 R C 2.223 178.638 176.300 0.191 0.000 1.136 40 R CA 1.240 57.458 56.100 0.197 0.000 0.935 40 R CB -0.768 29.670 30.300 0.230 0.000 0.842 40 R HN 0.029 nan 8.270 nan 0.000 0.430 41 V N 0.836 120.856 119.914 0.175 0.000 2.324 41 V HA -0.315 3.804 4.120 -0.001 0.000 0.250 41 V C 2.417 178.632 176.094 0.201 0.000 1.060 41 V CA 2.054 64.428 62.300 0.123 0.000 1.042 41 V CB -0.912 30.878 31.823 -0.055 0.000 0.650 41 V HN 0.470 nan 8.190 nan 0.000 0.450 42 H N 0.402 119.523 119.070 0.085 0.000 2.293 42 H HA -0.163 4.392 4.556 -0.001 0.000 0.300 42 H C 2.316 177.709 175.328 0.108 0.000 1.082 42 H CA 1.844 57.943 56.048 0.086 0.000 1.308 42 H CB 0.084 29.874 29.762 0.047 0.000 1.375 42 H HN 0.401 nan 8.280 nan 0.000 0.495 43 A N 1.801 124.655 122.820 0.056 0.000 1.865 43 A HA -0.209 4.111 4.320 -0.001 0.000 0.217 43 A C 2.549 180.153 177.584 0.033 0.000 1.191 43 A CA 1.693 53.725 52.037 -0.008 0.000 0.623 43 A CB -0.623 18.422 19.000 0.075 0.000 0.826 43 A HN 0.485 nan 8.150 nan 0.000 0.444 44 R N -1.325 119.252 120.500 0.129 0.000 2.117 44 R HA -0.173 4.167 4.340 -0.001 0.000 0.243 44 R C 2.264 178.673 176.300 0.182 0.000 1.143 44 R CA 1.587 57.806 56.100 0.198 0.000 0.968 44 R CB -0.487 29.995 30.300 0.302 0.000 0.863 44 R HN 0.599 nan 8.270 nan 0.000 0.444 45 M N 1.057 120.784 119.600 0.211 0.000 2.132 45 M HA -0.108 4.372 4.480 -0.001 0.000 0.263 45 M C 2.031 178.246 176.300 -0.142 0.000 1.065 45 M CA 1.578 56.865 55.300 -0.020 0.000 1.122 45 M CB -0.268 32.479 32.600 0.245 0.000 1.365 45 M HN 0.160 nan 8.290 nan 0.000 0.411 46 L N -0.529 120.607 121.223 -0.146 0.000 2.042 46 L HA -0.282 4.057 4.340 -0.001 0.000 0.210 46 L C 2.623 179.443 176.870 -0.083 0.000 1.076 46 L CA 1.948 56.692 54.840 -0.160 0.000 0.749 46 L CB -1.152 40.782 42.059 -0.209 0.000 0.893 46 L HN 0.435 nan 8.230 nan 0.000 0.432 47 H N 0.022 119.023 119.070 -0.114 0.000 2.353 47 H HA -0.137 4.418 4.556 -0.001 0.000 0.300 47 H C 2.089 177.344 175.328 -0.122 0.000 1.090 47 H CA 1.584 57.580 56.048 -0.087 0.000 1.327 47 H CB 0.066 29.797 29.762 -0.051 0.000 1.383 47 H HN 0.283 nan 8.280 nan 0.000 0.508 48 A N 0.382 123.091 122.820 -0.185 0.000 2.121 48 A HA -0.022 4.297 4.320 -0.001 0.000 0.218 48 A C 2.122 179.540 177.584 -0.277 0.000 1.154 48 A CA 1.465 53.319 52.037 -0.305 0.000 0.679 48 A CB -0.523 18.149 19.000 -0.547 0.000 0.795 48 A HN 0.506 nan 8.150 nan 0.000 0.458 49 V N -5.111 114.671 119.914 -0.220 0.000 3.483 49 V HA 0.592 4.711 4.120 -0.001 0.000 0.301 49 V C 1.264 177.286 176.094 -0.119 0.000 1.389 49 V CA 0.710 62.922 62.300 -0.148 0.000 1.101 49 V CB -0.561 31.203 31.823 -0.099 0.000 0.971 49 V HN 1.253 nan 8.190 nan 0.000 0.434 50 G N 1.247 109.948 108.800 -0.164 0.000 2.317 50 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.227 50 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.227 50 G C 0.707 175.561 174.900 -0.077 0.000 1.042 50 G CA 0.330 45.352 45.100 -0.130 0.000 0.623 50 G HN 0.467 nan 8.290 nan 0.000 0.509 51 L N 0.218 121.412 121.223 -0.049 0.000 2.351 51 L HA 0.161 4.500 4.340 -0.001 0.000 0.220 51 L C 1.114 177.975 176.870 -0.016 0.000 1.127 51 L CA 0.898 55.730 54.840 -0.014 0.000 0.786 51 L CB -0.307 41.734 42.059 -0.030 0.000 0.914 51 L HN 0.277 nan 8.230 nan 0.000 0.443 52 L N -0.681 120.531 121.223 -0.018 0.000 2.410 52 L HA 0.280 4.620 4.340 -0.001 0.000 0.270 52 L C 0.212 177.138 176.870 0.093 0.000 0.983 52 L CA -0.386 54.477 54.840 0.038 0.000 0.822 52 L CB 2.310 44.407 42.059 0.062 0.000 1.285 52 L HN -0.111 nan 8.230 nan 0.000 0.409 53 S N 2.012 117.765 115.700 0.089 0.000 2.564 53 S HA 0.266 4.735 4.470 -0.001 0.000 0.278 53 S C 1.288 176.000 174.600 0.187 0.000 1.333 53 S CA 0.178 58.442 58.200 0.107 0.000 1.048 53 S CB 1.647 64.883 63.200 0.060 0.000 0.900 53 S HN 0.737 nan 8.310 nan 0.000 0.505 54 A N 3.978 126.939 122.820 0.235 0.000 1.948 54 A HA -0.123 4.197 4.320 -0.001 0.000 0.220 54 A C 1.889 179.498 177.584 0.041 0.000 1.177 54 A CA 2.162 54.297 52.037 0.163 0.000 0.636 54 A CB -0.966 18.143 19.000 0.182 0.000 0.815 54 A HN 0.913 nan 8.150 nan 0.000 0.449 55 E N -0.120 120.110 120.200 0.050 0.000 2.152 55 E HA -0.075 4.275 4.350 -0.001 0.000 0.192 55 E C 1.910 178.525 176.600 0.025 0.000 0.983 55 E CA 1.203 57.619 56.400 0.027 0.000 0.818 55 E CB -0.189 29.527 29.700 0.027 0.000 0.758 55 E HN 0.773 nan 8.360 nan 0.000 0.467 56 E N 0.066 120.289 120.200 0.038 0.000 2.072 56 E HA -0.140 4.209 4.350 -0.001 0.000 0.190 56 E C 1.904 178.520 176.600 0.028 0.000 0.982 56 E CA 0.601 57.022 56.400 0.035 0.000 0.803 56 E CB -0.088 29.639 29.700 0.045 0.000 0.755 56 E HN 0.108 nan 8.360 nan 0.000 0.453 57 L N 1.662 122.897 121.223 0.021 0.000 2.046 57 L HA -0.175 4.165 4.340 -0.001 0.000 0.208 57 L C 2.158 179.019 176.870 -0.015 0.000 1.077 57 L CA 1.789 56.624 54.840 -0.009 0.000 0.747 57 L CB -0.309 41.694 42.059 -0.094 0.000 0.896 57 L HN 0.007 nan 8.230 nan 0.000 0.432 58 E N -0.067 120.119 120.200 -0.024 0.000 2.085 58 E HA -0.214 4.136 4.350 -0.001 0.000 0.194 58 E C 2.090 178.693 176.600 0.005 0.000 0.994 58 E CA 1.407 57.799 56.400 -0.014 0.000 0.801 58 E CB -0.178 29.515 29.700 -0.012 0.000 0.743 58 E HN 0.620 nan 8.360 nan 0.000 0.453 59 A N 1.018 123.844 122.820 0.011 0.000 1.855 59 A HA -0.135 4.184 4.320 -0.001 0.000 0.215 59 A C 2.395 179.994 177.584 0.024 0.000 1.191 59 A CA 1.307 53.354 52.037 0.017 0.000 0.613 59 A CB -0.726 18.284 19.000 0.017 0.000 0.829 59 A HN 0.241 nan 8.150 nan 0.000 0.442 60 I N -0.116 120.472 120.570 0.030 0.000 2.118 60 I HA -0.315 3.854 4.170 -0.001 0.000 0.241 60 I C 2.435 178.582 176.117 0.050 0.000 1.070 60 I CA 1.481 62.808 61.300 0.044 0.000 1.327 60 I CB -0.477 37.553 38.000 0.051 0.000 1.034 60 I HN 0.295 nan 8.210 nan 0.000 0.405 61 L N 0.458 121.706 121.223 0.042 0.000 2.083 61 L HA -0.241 4.098 4.340 -0.001 0.000 0.209 61 L C 2.681 179.577 176.870 0.044 0.000 1.083 61 L CA 1.400 56.269 54.840 0.048 0.000 0.752 61 L CB -0.653 41.427 42.059 0.034 0.000 0.899 61 L HN 0.284 nan 8.230 nan 0.000 0.433 62 K N 0.391 120.810 120.400 0.031 0.000 2.057 62 K HA -0.151 4.168 4.320 -0.001 0.000 0.207 62 K C 2.021 178.640 176.600 0.032 0.000 1.049 62 K CA 1.513 57.816 56.287 0.027 0.000 0.931 62 K CB -0.233 32.278 32.500 0.018 0.000 0.714 62 K HN 0.343 nan 8.250 nan 0.000 0.440 63 G N 1.382 110.203 108.800 0.034 0.000 2.402 63 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.216 63 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.216 63 G C 1.542 176.474 174.900 0.053 0.000 1.162 63 G CA 0.414 45.535 45.100 0.036 0.000 0.777 63 G HN 0.213 nan 8.290 nan 0.000 0.539 64 L N 0.560 121.824 121.223 0.068 0.000 2.191 64 L HA -0.066 4.274 4.340 -0.001 0.000 0.212 64 L C 2.306 179.230 176.870 0.091 0.000 1.103 64 L CA 0.985 55.880 54.840 0.091 0.000 0.769 64 L CB -0.320 41.803 42.059 0.106 0.000 0.908 64 L HN 0.106 nan 8.230 nan 0.000 0.438 65 D N -0.304 120.139 120.400 0.071 0.000 2.123 65 D HA -0.166 4.474 4.640 -0.001 0.000 0.200 65 D C 2.189 178.523 176.300 0.056 0.000 0.976 65 D CA 0.811 54.850 54.000 0.064 0.000 0.831 65 D CB -0.096 40.732 40.800 0.047 0.000 0.974 65 D HN 0.077 nan 8.370 nan 0.000 0.469 66 R N 1.010 121.537 120.500 0.045 0.000 2.105 66 R HA -0.058 4.281 4.340 -0.001 0.000 0.239 66 R C 2.028 178.355 176.300 0.045 0.000 1.135 66 R CA 1.062 57.181 56.100 0.033 0.000 0.967 66 R CB -0.725 29.586 30.300 0.019 0.000 0.861 66 R HN 0.198 nan 8.270 nan 0.000 0.442 67 I N 0.403 121.015 120.570 0.069 0.000 2.142 67 I HA -0.254 3.915 4.170 -0.001 0.000 0.240 67 I C 2.532 178.660 176.117 0.019 0.000 1.078 67 I CA 1.937 63.298 61.300 0.102 0.000 1.343 67 I CB -0.547 37.526 38.000 0.122 0.000 1.046 67 I HN 0.407 nan 8.210 nan 0.000 0.405 68 E N 1.278 121.513 120.200 0.059 0.000 2.070 68 E HA -0.282 4.067 4.350 -0.001 0.000 0.197 68 E C 2.050 178.661 176.600 0.018 0.000 1.004 68 E CA 1.746 58.203 56.400 0.094 0.000 0.805 68 E CB 0.001 29.819 29.700 0.197 0.000 0.744 68 E HN 0.490 nan 8.360 nan 0.000 0.451 69 E N 0.147 120.367 120.200 0.034 0.000 2.110 69 E HA -0.220 4.129 4.350 -0.001 0.000 0.193 69 E C 2.118 178.714 176.600 -0.007 0.000 0.988 69 E CA 1.075 57.487 56.400 0.021 0.000 0.804 69 E CB -0.061 29.654 29.700 0.025 0.000 0.745 69 E HN 0.349 nan 8.360 nan 0.000 0.458 70 E N 0.740 120.937 120.200 -0.004 0.000 2.028 70 E HA -0.166 4.183 4.350 -0.001 0.000 0.191 70 E C 2.129 178.714 176.600 -0.025 0.000 0.988 70 E CA 0.791 57.198 56.400 0.012 0.000 0.799 70 E CB 0.021 29.766 29.700 0.075 0.000 0.755 70 E HN 0.180 nan 8.360 nan 0.000 0.447 71 I N 0.742 121.208 120.570 -0.175 0.000 2.127 71 I HA -0.283 3.886 4.170 -0.001 0.000 0.241 71 I C 2.467 178.410 176.117 -0.290 0.000 1.075 71 I CA 1.323 62.379 61.300 -0.408 0.000 1.334 71 I CB -0.271 37.108 38.000 -1.034 0.000 1.040 71 I HN 0.150 nan 8.210 nan 0.000 0.405 72 E N 0.935 120.987 120.200 -0.247 0.000 2.130 72 E HA -0.224 4.126 4.350 -0.001 0.000 0.196 72 E C 2.024 178.614 176.600 -0.016 0.000 0.998 72 E CA 1.638 57.998 56.400 -0.067 0.000 0.806 72 E CB -0.122 29.596 29.700 0.030 0.000 0.738 72 E HN 0.494 nan 8.360 nan 0.000 0.459 73 A N -1.004 121.806 122.820 -0.017 0.000 2.169 73 A HA 0.278 4.597 4.320 -0.001 0.000 0.212 73 A C 1.806 179.400 177.584 0.017 0.000 1.153 73 A CA 0.967 53.007 52.037 0.006 0.000 0.756 73 A CB -0.452 18.552 19.000 0.005 0.000 0.813 73 A HN 0.417 nan 8.150 nan 0.000 0.471 74 G N -1.781 107.032 108.800 0.023 0.000 2.143 74 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.248 74 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.248 74 G C 0.786 175.727 174.900 0.069 0.000 0.991 74 G CA 1.130 46.269 45.100 0.066 0.000 0.689 74 G HN 0.776 nan 8.290 nan 0.000 0.522 75 T N -0.827 113.752 114.554 0.041 0.000 3.040 75 T HA 0.430 4.779 4.350 -0.001 0.000 0.250 75 T C 0.781 175.470 174.700 -0.018 0.000 1.058 75 T CA 0.251 62.358 62.100 0.011 0.000 0.988 75 T CB -0.153 68.711 68.868 -0.006 0.000 0.993 75 T HN 0.556 nan 8.240 nan 0.000 0.519 76 F N 4.667 124.497 119.950 -0.201 0.000 2.459 76 F HA 0.461 4.987 4.527 -0.001 0.000 0.346 76 F C -2.233 173.304 175.800 -0.438 0.000 1.128 76 F CA -2.407 55.373 58.000 -0.367 0.000 1.268 76 F CB 0.863 39.534 39.000 -0.548 0.000 1.161 76 F HN -0.021 nan 8.300 nan 0.000 0.583 77 P HA 0.109 nan 4.420 nan 0.000 0.288 77 P C -1.717 175.176 177.300 -0.679 0.000 1.363 77 P CA -0.164 62.487 63.100 -0.749 0.000 0.837 77 P CB -0.068 31.260 31.700 -0.620 0.000 0.981 78 W N 4.398 125.712 121.300 0.024 0.000 2.342 78 W HA 0.348 5.008 4.660 -0.001 0.000 0.310 78 W C 0.866 177.393 176.519 0.012 0.000 1.128 78 W CA -0.610 56.809 57.345 0.124 0.000 1.322 78 W CB 0.974 30.507 29.460 0.121 0.000 1.251 78 W HN 0.059 nan 8.180 nan 0.000 0.439 79 R N 2.489 123.101 120.500 0.187 0.000 2.265 79 R HA 0.077 4.417 4.340 -0.001 0.000 0.328 79 R C 1.102 177.465 176.300 0.105 0.000 0.969 79 R CA -0.540 55.614 56.100 0.091 0.000 0.832 79 R CB 1.565 31.869 30.300 0.007 0.000 1.139 79 R HN 0.620 nan 8.270 nan 0.000 0.457 80 E N 3.041 123.289 120.200 0.080 0.000 2.204 80 E HA -0.202 4.147 4.350 -0.001 0.000 0.194 80 E C 0.779 177.399 176.600 0.034 0.000 0.989 80 E CA 1.323 57.753 56.400 0.050 0.000 0.824 80 E CB 0.384 30.105 29.700 0.036 0.000 0.756 80 E HN 0.659 nan 8.360 nan 0.000 0.477 81 E N 0.353 120.572 120.200 0.031 0.000 2.267 81 E HA -0.194 4.155 4.350 -0.001 0.000 0.197 81 E C 1.729 178.341 176.600 0.020 0.000 0.998 81 E CA 0.872 57.285 56.400 0.022 0.000 0.830 81 E CB -0.267 29.442 29.700 0.014 0.000 0.751 81 E HN 0.358 nan 8.360 nan 0.000 0.491 82 L N 1.081 122.319 121.223 0.024 0.000 2.611 82 L HA 0.076 4.416 4.340 -0.001 0.000 0.229 82 L C 1.224 178.104 176.870 0.017 0.000 1.137 82 L CA 0.637 55.490 54.840 0.021 0.000 0.901 82 L CB -0.751 41.325 42.059 0.027 0.000 1.098 82 L HN 0.262 nan 8.230 nan 0.000 0.456 83 E N 0.084 120.291 120.200 0.012 0.000 5.279 83 E HA -0.357 3.992 4.350 -0.001 0.000 0.177 83 E C -0.061 176.505 176.600 -0.057 0.000 1.169 83 E CA 1.999 58.392 56.400 -0.011 0.000 1.892 83 E CB -1.657 28.045 29.700 0.004 0.000 1.841 83 E HN 0.679 nan 8.360 nan 0.000 0.361 84 D N -0.447 119.920 120.400 -0.055 0.000 2.714 84 D HA 0.460 5.100 4.640 -0.001 0.000 0.278 84 D C 0.678 176.910 176.300 -0.114 0.000 1.102 84 D CA -0.097 53.818 54.000 -0.142 0.000 1.108 84 D CB 1.283 41.984 40.800 -0.165 0.000 1.444 84 D HN 0.029 nan 8.370 nan 0.000 0.568 85 V N -0.142 119.618 119.914 -0.256 0.000 2.453 85 V HA -0.177 3.942 4.120 -0.001 0.000 0.247 85 V C 1.775 177.835 176.094 -0.057 0.000 1.048 85 V CA 1.888 64.131 62.300 -0.094 0.000 1.049 85 V CB -0.982 30.742 31.823 -0.165 0.000 0.672 85 V HN 0.611 nan 8.190 nan 0.000 0.457 86 H N -0.768 118.328 119.070 0.045 0.000 2.267 86 H HA -0.231 4.324 4.556 -0.001 0.000 0.297 86 H C 2.131 177.444 175.328 -0.025 0.000 1.080 86 H CA 2.237 58.280 56.048 -0.008 0.000 1.278 86 H CB -0.335 29.382 29.762 -0.075 0.000 1.365 86 H HN 0.430 nan 8.280 nan 0.000 0.489 87 M N 0.839 120.478 119.600 0.065 0.000 2.296 87 M HA -0.110 4.369 4.480 -0.001 0.000 0.265 87 M C 1.561 177.888 176.300 0.045 0.000 1.064 87 M CA 1.141 56.453 55.300 0.019 0.000 1.109 87 M CB -0.229 32.373 32.600 0.005 0.000 1.396 87 M HN 0.187 nan 8.290 nan 0.000 0.430 88 N N -0.115 118.640 118.700 0.092 0.000 2.084 88 N HA -0.129 4.611 4.740 -0.001 0.000 0.190 88 N C 1.507 177.117 175.510 0.167 0.000 1.030 88 N CA 1.419 54.554 53.050 0.141 0.000 0.849 88 N CB -0.179 38.484 38.487 0.293 0.000 1.012 88 N HN 0.297 nan 8.380 nan 0.000 0.423 89 L N 1.835 123.163 121.223 0.175 0.000 2.141 89 L HA -0.061 4.278 4.340 -0.001 0.000 0.209 89 L C 2.302 179.237 176.870 0.108 0.000 1.094 89 L CA 1.341 56.285 54.840 0.174 0.000 0.763 89 L CB -0.593 41.549 42.059 0.138 0.000 0.908 89 L HN 0.192 nan 8.230 nan 0.000 0.437 90 E N -0.853 119.387 120.200 0.066 0.000 2.028 90 E HA -0.199 4.151 4.350 -0.001 0.000 0.190 90 E C 2.266 178.873 176.600 0.012 0.000 0.984 90 E CA 0.983 57.403 56.400 0.034 0.000 0.800 90 E CB -0.071 29.628 29.700 -0.001 0.000 0.758 90 E HN 0.444 nan 8.360 nan 0.000 0.448 91 A N 1.344 124.160 122.820 -0.006 0.000 1.903 91 A HA -0.284 4.035 4.320 -0.001 0.000 0.219 91 A C 2.147 179.690 177.584 -0.068 0.000 1.191 91 A CA 2.134 54.149 52.037 -0.037 0.000 0.638 91 A CB -0.630 18.339 19.000 -0.051 0.000 0.823 91 A HN 0.110 nan 8.150 nan 0.000 0.451 92 R N -0.568 119.873 120.500 -0.098 0.000 2.081 92 R HA -0.088 4.252 4.340 -0.001 0.000 0.235 92 R C 1.926 178.186 176.300 -0.066 0.000 1.131 92 R CA 1.684 57.689 56.100 -0.159 0.000 0.960 92 R CB -0.991 29.153 30.300 -0.260 0.000 0.856 92 R HN 0.460 nan 8.270 nan 0.000 0.436 93 L N 0.073 121.295 121.223 -0.002 0.000 1.989 93 L HA -0.153 4.186 4.340 -0.001 0.000 0.211 93 L C 1.839 178.710 176.870 0.002 0.000 1.071 93 L CA 2.441 57.292 54.840 0.019 0.000 0.749 93 L CB -1.151 40.937 42.059 0.048 0.000 0.890 93 L HN 0.258 nan 8.230 nan 0.000 0.431 94 T N -0.510 114.043 114.554 -0.001 0.000 2.746 94 T HA -0.195 4.154 4.350 -0.001 0.000 0.267 94 T C 1.670 176.358 174.700 -0.020 0.000 1.039 94 T CA 1.659 63.757 62.100 -0.003 0.000 1.142 94 T CB -0.309 68.559 68.868 0.000 0.000 0.866 94 T HN 0.474 nan 8.240 nan 0.000 0.444 95 E N 0.426 120.600 120.200 -0.042 0.000 2.209 95 E HA -0.078 4.271 4.350 -0.001 0.000 0.196 95 E C 1.930 178.500 176.600 -0.050 0.000 0.993 95 E CA 0.802 57.168 56.400 -0.057 0.000 0.819 95 E CB -0.162 29.481 29.700 -0.096 0.000 0.745 95 E HN 0.471 nan 8.360 nan 0.000 0.477 96 L N -0.700 120.499 121.223 -0.041 0.000 2.269 96 L HA -0.011 4.328 4.340 -0.001 0.000 0.200 96 L C 2.048 178.910 176.870 -0.013 0.000 1.069 96 L CA 0.280 55.102 54.840 -0.030 0.000 0.804 96 L CB 0.232 42.275 42.059 -0.028 0.000 0.987 96 L HN -0.058 nan 8.230 nan 0.000 0.468 97 V N -0.455 119.457 119.914 -0.004 0.000 3.506 97 V HA 0.329 4.448 4.120 -0.001 0.000 0.263 97 V C 1.139 177.236 176.094 0.005 0.000 1.203 97 V CA 0.636 62.939 62.300 0.005 0.000 1.133 97 V CB -0.628 31.205 31.823 0.016 0.000 0.802 97 V HN 0.609 nan 8.190 nan 0.000 0.459 98 G N 0.383 109.184 108.800 0.001 0.000 2.632 98 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.224 98 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.224 98 G C -1.400 173.506 174.900 0.010 0.000 1.341 98 G CA -0.178 44.924 45.100 0.003 0.000 0.880 98 G HN 0.238 nan 8.290 nan 0.000 0.566 99 P HA -0.134 nan 4.420 nan 0.000 0.222 99 P C -1.121 176.194 177.300 0.024 0.000 1.155 99 P CA 2.947 66.058 63.100 0.018 0.000 0.890 99 P CB -0.597 31.113 31.700 0.017 0.000 0.790 100 P HA -0.176 nan 4.420 nan 0.000 0.216 100 P C 1.656 178.979 177.300 0.038 0.000 1.150 100 P CA 2.206 65.324 63.100 0.031 0.000 0.843 100 P CB -0.912 30.806 31.700 0.029 0.000 0.787 101 G N -0.053 108.768 108.800 0.035 0.000 2.491 101 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.218 101 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.218 101 G C 1.769 176.700 174.900 0.052 0.000 1.180 101 G CA 1.006 46.131 45.100 0.042 0.000 0.774 101 G HN 0.391 nan 8.290 nan 0.000 0.562 102 G N -0.269 108.557 108.800 0.044 0.000 2.564 102 G HA2 -0.080 3.879 3.960 -0.001 0.000 0.216 102 G HA3 -0.080 3.879 3.960 -0.001 0.000 0.216 102 G C 1.637 176.573 174.900 0.061 0.000 1.124 102 G CA 0.922 46.053 45.100 0.052 0.000 0.764 102 G HN 0.487 nan 8.290 nan 0.000 0.550 103 K N -0.713 119.720 120.400 0.056 0.000 2.354 103 K HA 0.331 4.650 4.320 -0.001 0.000 0.194 103 K C 2.118 178.754 176.600 0.059 0.000 1.045 103 K CA -0.418 55.897 56.287 0.045 0.000 1.026 103 K CB 0.019 32.538 32.500 0.032 0.000 0.866 103 K HN 0.238 nan 8.250 nan 0.000 0.530 104 L N 0.977 122.257 121.223 0.096 0.000 1.990 104 L HA -0.228 4.111 4.340 -0.001 0.000 0.213 104 L C 1.624 178.646 176.870 0.253 0.000 1.072 104 L CA 1.723 56.654 54.840 0.152 0.000 0.755 104 L CB -0.236 41.916 42.059 0.154 0.000 0.889 104 L HN 0.303 nan 8.230 nan 0.000 0.432 105 H N 0.297 119.414 119.070 0.080 0.000 2.787 105 H HA 0.097 4.652 4.556 -0.001 0.000 0.302 105 H C -0.363 174.970 175.328 0.008 0.000 1.098 105 H CA -0.085 55.988 56.048 0.041 0.000 1.192 105 H CB -0.789 28.971 29.762 -0.003 0.000 1.316 105 H HN 0.138 nan 8.280 nan 0.000 0.590 106 T N 0.566 115.102 114.554 -0.029 0.000 2.856 106 T HA 0.420 4.769 4.350 -0.001 0.000 0.292 106 T C 0.895 175.343 174.700 -0.420 0.000 0.980 106 T CA 0.128 62.057 62.100 -0.284 0.000 1.091 106 T CB 1.063 69.766 68.868 -0.275 0.000 0.936 106 T HN 0.471 nan 8.240 nan 0.000 0.503 107 A N 2.183 124.524 122.820 -0.798 0.000 2.847 107 A HA -0.187 4.132 4.320 -0.001 0.000 0.263 107 A C 0.568 178.000 177.584 -0.254 0.000 1.391 107 A CA 1.590 53.221 52.037 -0.677 0.000 0.866 107 A CB -1.705 16.897 19.000 -0.663 0.000 1.057 107 A HN 0.792 nan 8.150 nan 0.000 0.673 108 R N -0.664 119.631 120.500 -0.341 0.000 2.771 108 R HA 0.680 5.019 4.340 -0.001 0.000 0.274 108 R C -0.310 175.710 176.300 -0.468 0.000 0.987 108 R CA 0.366 56.259 56.100 -0.345 0.000 0.908 108 R CB 1.667 31.714 30.300 -0.422 0.000 1.213 108 R HN 0.764 nan 8.270 nan 0.000 0.468 109 S N 0.603 116.169 115.700 -0.222 0.000 2.648 109 S HA 0.410 4.880 4.470 -0.001 0.000 0.305 109 S C 0.628 175.223 174.600 -0.007 0.000 1.094 109 S CA -0.769 57.367 58.200 -0.105 0.000 0.983 109 S CB 1.652 64.795 63.200 -0.096 0.000 1.101 109 S HN 0.678 nan 8.310 nan 0.000 0.514 110 R N 1.554 122.046 120.500 -0.013 0.000 2.148 110 R HA 0.012 4.352 4.340 -0.001 0.000 0.223 110 R C 1.359 177.518 176.300 -0.235 0.000 1.088 110 R CA 1.007 57.023 56.100 -0.141 0.000 0.985 110 R CB -1.151 29.074 30.300 -0.126 0.000 0.880 110 R HN 0.614 nan 8.270 nan 0.000 0.451 111 N N 1.568 120.111 118.700 -0.262 0.000 2.043 111 N HA -0.176 4.564 4.740 -0.001 0.000 0.193 111 N C 1.250 176.697 175.510 -0.105 0.000 1.037 111 N CA 1.915 54.808 53.050 -0.261 0.000 0.851 111 N CB -0.507 37.853 38.487 -0.211 0.000 1.027 111 N HN 0.377 nan 8.380 nan 0.000 0.422 112 D N 0.024 120.362 120.400 -0.104 0.000 2.277 112 D HA -0.125 4.514 4.640 -0.001 0.000 0.208 112 D C 1.717 177.942 176.300 -0.125 0.000 0.962 112 D CA 0.603 54.547 54.000 -0.094 0.000 0.865 112 D CB -0.586 40.154 40.800 -0.100 0.000 0.939 112 D HN 0.444 nan 8.370 nan 0.000 0.510 113 Q N 0.464 120.160 119.800 -0.174 0.000 2.049 113 Q HA -0.084 4.255 4.340 -0.001 0.000 0.198 113 Q C 2.105 177.956 176.000 -0.248 0.000 0.971 113 Q CA 1.014 56.671 55.803 -0.244 0.000 0.833 113 Q CB -0.041 28.492 28.738 -0.340 0.000 0.896 113 Q HN 0.156 nan 8.270 nan 0.000 0.434 114 V N 0.705 120.473 119.914 -0.242 0.000 2.427 114 V HA -0.175 3.944 4.120 -0.001 0.000 0.248 114 V C 2.176 178.324 176.094 0.090 0.000 1.051 114 V CA 1.776 64.067 62.300 -0.015 0.000 1.048 114 V CB -0.533 31.384 31.823 0.155 0.000 0.666 114 V HN 0.541 nan 8.190 nan 0.000 0.456 115 A N -0.656 122.201 122.820 0.061 0.000 1.858 115 A HA -0.223 4.097 4.320 -0.001 0.000 0.216 115 A C 2.351 179.960 177.584 0.040 0.000 1.190 115 A CA 2.660 54.754 52.037 0.095 0.000 0.617 115 A CB -1.264 17.771 19.000 0.059 0.000 0.827 115 A HN 0.517 nan 8.150 nan 0.000 0.443 116 T N 0.223 114.766 114.554 -0.017 0.000 2.699 116 T HA -0.161 4.188 4.350 -0.001 0.000 0.268 116 T C 1.565 176.339 174.700 0.124 0.000 1.036 116 T CA 1.630 63.740 62.100 0.017 0.000 1.147 116 T CB -0.463 68.382 68.868 -0.039 0.000 0.862 116 T HN 0.450 nan 8.240 nan 0.000 0.446 117 D N 0.745 121.204 120.400 0.098 0.000 2.078 117 D HA -0.054 4.586 4.640 -0.001 0.000 0.193 117 D C 2.093 178.507 176.300 0.189 0.000 0.990 117 D CA 0.688 54.774 54.000 0.144 0.000 0.827 117 D CB -0.584 40.323 40.800 0.179 0.000 0.975 117 D HN 0.153 nan 8.370 nan 0.000 0.451 118 L N 1.864 123.212 121.223 0.208 0.000 1.971 118 L HA -0.210 4.129 4.340 -0.001 0.000 0.215 118 L C 2.312 179.364 176.870 0.303 0.000 1.072 118 L CA 1.944 56.952 54.840 0.280 0.000 0.758 118 L CB -0.566 41.707 42.059 0.355 0.000 0.889 118 L HN 0.060 nan 8.230 nan 0.000 0.433 119 R N -0.751 119.849 120.500 0.167 0.000 2.189 119 R HA -0.135 4.204 4.340 -0.001 0.000 0.223 119 R C 2.109 178.452 176.300 0.072 0.000 1.092 119 R CA 1.503 57.621 56.100 0.030 0.000 0.989 119 R CB -1.065 29.012 30.300 -0.371 0.000 0.876 119 R HN 0.389 nan 8.270 nan 0.000 0.457 120 L N 0.428 121.714 121.223 0.105 0.000 2.156 120 L HA -0.076 4.263 4.340 -0.001 0.000 0.208 120 L C 2.213 179.122 176.870 0.065 0.000 1.095 120 L CA 1.375 56.192 54.840 -0.039 0.000 0.770 120 L CB -0.511 41.536 42.059 -0.019 0.000 0.914 120 L HN 0.129 nan 8.230 nan 0.000 0.439 121 Y N -0.865 119.455 120.300 0.034 0.000 2.286 121 Y HA -0.067 4.483 4.550 -0.001 0.000 0.293 121 Y C 2.045 177.972 175.900 0.045 0.000 1.124 121 Y CA 1.363 59.489 58.100 0.042 0.000 1.178 121 Y CB -0.057 38.441 38.460 0.063 0.000 1.010 121 Y HN 0.093 nan 8.280 nan 0.000 0.536 122 L N 0.205 121.501 121.223 0.122 0.000 2.362 122 L HA -0.141 4.199 4.340 -0.001 0.000 0.219 122 L C 2.581 179.425 176.870 -0.045 0.000 1.134 122 L CA 1.166 56.029 54.840 0.038 0.000 0.807 122 L CB -0.462 41.718 42.059 0.201 0.000 0.927 122 L HN 0.201 nan 8.230 nan 0.000 0.447 123 R N 0.411 120.877 120.500 -0.057 0.000 2.062 123 R HA -0.098 4.241 4.340 -0.001 0.000 0.229 123 R C 2.297 178.535 176.300 -0.103 0.000 1.128 123 R CA 1.367 57.423 56.100 -0.075 0.000 0.960 123 R CB -0.347 29.884 30.300 -0.116 0.000 0.855 123 R HN 0.314 nan 8.270 nan 0.000 0.432 124 G N -0.074 108.638 108.800 -0.146 0.000 2.402 124 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.216 124 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.216 124 G C 1.504 176.277 174.900 -0.212 0.000 1.162 124 G CA 0.682 45.680 45.100 -0.170 0.000 0.777 124 G HN 0.466 nan 8.290 nan 0.000 0.539 125 A N 0.982 123.604 122.820 -0.330 0.000 1.883 125 A HA 0.018 4.337 4.320 -0.001 0.000 0.217 125 A C 2.362 179.877 177.584 -0.114 0.000 1.186 125 A CA 1.310 53.182 52.037 -0.275 0.000 0.624 125 A CB -0.419 18.372 19.000 -0.349 0.000 0.822 125 A HN 0.364 nan 8.150 nan 0.000 0.444 126 I N -0.234 120.289 120.570 -0.078 0.000 2.567 126 I HA -0.216 3.953 4.170 -0.001 0.000 0.257 126 I C 1.665 177.768 176.117 -0.024 0.000 1.184 126 I CA 1.190 62.478 61.300 -0.019 0.000 1.451 126 I CB -0.358 37.641 38.000 -0.002 0.000 1.089 126 I HN 0.321 nan 8.210 nan 0.000 0.441 127 D N 0.497 120.865 120.400 -0.052 0.000 2.137 127 D HA -0.182 4.457 4.640 -0.001 0.000 0.202 127 D C 1.998 178.272 176.300 -0.044 0.000 0.970 127 D CA 1.019 54.992 54.000 -0.045 0.000 0.837 127 D CB -0.015 40.751 40.800 -0.058 0.000 0.981 127 D HN 0.388 nan 8.370 nan 0.000 0.475 128 E N 0.175 120.339 120.200 -0.059 0.000 2.118 128 E HA -0.179 4.171 4.350 -0.001 0.000 0.195 128 E C 2.034 178.610 176.600 -0.041 0.000 0.992 128 E CA 0.575 56.943 56.400 -0.053 0.000 0.804 128 E CB 0.061 29.721 29.700 -0.065 0.000 0.741 128 E HN 0.021 nan 8.360 nan 0.000 0.458 129 L N 0.555 121.764 121.223 -0.024 0.000 2.156 129 L HA -0.065 4.275 4.340 -0.001 0.000 0.208 129 L C 2.139 179.005 176.870 -0.007 0.000 1.095 129 L CA 1.232 56.068 54.840 -0.006 0.000 0.770 129 L CB -0.297 41.808 42.059 0.078 0.000 0.914 129 L HN 0.259 nan 8.230 nan 0.000 0.439 130 L N -1.504 119.719 121.223 0.000 0.000 2.156 130 L HA -0.129 4.210 4.340 -0.001 0.000 0.208 130 L C 2.515 179.376 176.870 -0.015 0.000 1.095 130 L CA 0.941 55.782 54.840 0.001 0.000 0.770 130 L CB -0.595 41.464 42.059 0.000 0.000 0.914 130 L HN 0.270 nan 8.230 nan 0.000 0.439 131 A N -0.350 122.456 122.820 -0.024 0.000 1.930 131 A HA -0.147 4.172 4.320 -0.001 0.000 0.217 131 A C 2.079 179.643 177.584 -0.034 0.000 1.175 131 A CA 1.169 53.190 52.037 -0.026 0.000 0.627 131 A CB -0.348 18.634 19.000 -0.030 0.000 0.815 131 A HN 0.233 nan 8.150 nan 0.000 0.443 132 L N -0.518 120.675 121.223 -0.050 0.000 2.027 132 L HA -0.037 4.303 4.340 -0.001 0.000 0.206 132 L C 2.471 179.295 176.870 -0.077 0.000 1.074 132 L CA 1.337 56.133 54.840 -0.074 0.000 0.745 132 L CB -1.135 40.856 42.059 -0.115 0.000 0.898 132 L HN 0.346 nan 8.230 nan 0.000 0.433 133 L N -1.427 119.753 121.223 -0.073 0.000 2.046 133 L HA -0.249 4.090 4.340 -0.001 0.000 0.208 133 L C 2.512 179.367 176.870 -0.024 0.000 1.077 133 L CA 0.978 55.786 54.840 -0.053 0.000 0.747 133 L CB -0.452 41.594 42.059 -0.020 0.000 0.896 133 L HN 0.247 nan 8.230 nan 0.000 0.432 134 L N -0.386 120.828 121.223 -0.014 0.000 1.989 134 L HA -0.288 4.052 4.340 -0.001 0.000 0.211 134 L C 2.770 179.647 176.870 0.011 0.000 1.071 134 L CA 1.780 56.623 54.840 0.006 0.000 0.749 134 L CB -0.415 41.646 42.059 0.004 0.000 0.890 134 L HN 0.309 nan 8.230 nan 0.000 0.431 135 A N -0.161 122.655 122.820 -0.007 0.000 1.873 135 A HA -0.305 4.014 4.320 -0.001 0.000 0.218 135 A C 2.138 179.719 177.584 -0.006 0.000 1.193 135 A CA 2.148 54.179 52.037 -0.009 0.000 0.629 135 A CB -1.040 17.946 19.000 -0.022 0.000 0.826 135 A HN 0.474 nan 8.150 nan 0.000 0.447 136 L N -0.028 121.183 121.223 -0.019 0.000 2.042 136 L HA -0.177 4.163 4.340 -0.001 0.000 0.210 136 L C 2.538 179.425 176.870 0.028 0.000 1.076 136 L CA 2.005 56.834 54.840 -0.017 0.000 0.749 136 L CB -0.602 41.429 42.059 -0.047 0.000 0.893 136 L HN 0.373 nan 8.230 nan 0.000 0.432 137 R N -0.936 119.601 120.500 0.061 0.000 2.081 137 R HA -0.120 4.220 4.340 -0.001 0.000 0.235 137 R C 2.307 178.705 176.300 0.163 0.000 1.131 137 R CA 1.370 57.575 56.100 0.174 0.000 0.960 137 R CB -0.428 29.985 30.300 0.189 0.000 0.856 137 R HN 0.414 nan 8.270 nan 0.000 0.436 138 R N 0.433 120.985 120.500 0.088 0.000 2.103 138 R HA -0.131 4.208 4.340 -0.001 0.000 0.242 138 R C 2.435 178.731 176.300 -0.008 0.000 1.142 138 R CA 1.754 57.876 56.100 0.037 0.000 0.960 138 R CB -0.648 29.663 30.300 0.019 0.000 0.858 138 R HN 0.197 nan 8.270 nan 0.000 0.439 139 V N 0.707 120.611 119.914 -0.015 0.000 2.667 139 V HA -0.096 4.023 4.120 -0.001 0.000 0.252 139 V C 1.816 177.843 176.094 -0.112 0.000 1.065 139 V CA 1.330 63.596 62.300 -0.056 0.000 1.083 139 V CB -0.199 31.596 31.823 -0.046 0.000 0.692 139 V HN 0.247 nan 8.190 nan 0.000 0.468 140 L N -0.343 120.843 121.223 -0.061 0.000 2.072 140 L HA -0.064 4.275 4.340 -0.001 0.000 0.205 140 L C 2.616 179.394 176.870 -0.154 0.000 1.079 140 L CA 1.438 56.221 54.840 -0.095 0.000 0.752 140 L CB -0.558 41.581 42.059 0.133 0.000 0.906 140 L HN 0.264 nan 8.230 nan 0.000 0.436 141 V N 0.671 120.527 119.914 -0.097 0.000 2.427 141 V HA -0.246 3.873 4.120 -0.001 0.000 0.248 141 V C 2.685 178.701 176.094 -0.131 0.000 1.051 141 V CA 2.033 64.247 62.300 -0.144 0.000 1.048 141 V CB -0.756 30.958 31.823 -0.181 0.000 0.666 141 V HN 0.577 nan 8.190 nan 0.000 0.456 142 R N 0.233 120.659 120.500 -0.123 0.000 2.090 142 R HA -0.101 4.239 4.340 -0.001 0.000 0.228 142 R C 1.915 178.125 176.300 -0.150 0.000 1.110 142 R CA 1.410 57.444 56.100 -0.110 0.000 0.973 142 R CB -0.544 29.707 30.300 -0.082 0.000 0.869 142 R HN 0.354 nan 8.270 nan 0.000 0.440 143 E N 1.196 121.242 120.200 -0.256 0.000 2.204 143 E HA -0.092 4.257 4.350 -0.001 0.000 0.195 143 E C 1.974 178.393 176.600 -0.302 0.000 0.990 143 E CA 1.319 57.493 56.400 -0.377 0.000 0.821 143 E CB -0.034 29.169 29.700 -0.828 0.000 0.750 143 E HN 0.535 nan 8.360 nan 0.000 0.477 144 A N 0.996 123.679 122.820 -0.229 0.000 1.872 144 A HA -0.166 4.153 4.320 -0.001 0.000 0.214 144 A C 2.122 179.728 177.584 0.037 0.000 1.187 144 A CA 1.437 53.499 52.037 0.043 0.000 0.614 144 A CB -0.387 18.652 19.000 0.065 0.000 0.826 144 A HN 0.221 nan 8.150 nan 0.000 0.442 145 E N 0.001 120.183 120.200 -0.031 0.000 2.110 145 E HA -0.198 4.151 4.350 -0.001 0.000 0.193 145 E C 2.358 178.933 176.600 -0.042 0.000 0.988 145 E CA 1.794 58.178 56.400 -0.028 0.000 0.804 145 E CB -0.235 29.437 29.700 -0.047 0.000 0.745 145 E HN 0.552 nan 8.360 nan 0.000 0.458 146 K N 0.479 120.821 120.400 -0.096 0.000 1.978 146 K HA -0.190 4.129 4.320 -0.001 0.000 0.214 146 K C 1.630 178.066 176.600 -0.274 0.000 1.049 146 K CA 2.120 58.277 56.287 -0.216 0.000 0.939 146 K CB -1.493 30.802 32.500 -0.341 0.000 0.721 146 K HN 0.404 nan 8.250 nan 0.000 0.441 147 H N -0.236 118.775 119.070 -0.100 0.000 2.607 147 H HA 0.352 4.907 4.556 -0.001 0.000 0.288 147 H C 1.529 176.928 175.328 0.118 0.000 1.058 147 H CA 0.243 56.242 56.048 -0.081 0.000 1.178 147 H CB 0.041 29.553 29.762 -0.416 0.000 1.340 147 H HN 0.308 nan 8.280 nan 0.000 0.591 148 L N -0.711 120.592 121.223 0.133 0.000 2.286 148 L HA -0.024 4.315 4.340 -0.001 0.000 0.203 148 L C 2.076 179.012 176.870 0.110 0.000 1.068 148 L CA 0.696 55.608 54.840 0.121 0.000 0.811 148 L CB 0.193 42.296 42.059 0.072 0.000 0.989 148 L HN 0.353 nan 8.230 nan 0.000 0.467 149 D N 0.157 120.605 120.400 0.081 0.000 2.087 149 D HA -0.121 4.518 4.640 -0.001 0.000 0.201 149 D C -0.501 175.849 176.300 0.083 0.000 0.980 149 D CA 1.108 55.148 54.000 0.067 0.000 0.849 149 D CB -0.963 39.859 40.800 0.037 0.000 1.001 149 D HN 0.115 nan 8.370 nan 0.000 0.452 150 P HA -0.071 nan 4.420 nan 0.000 0.217 150 P C 0.133 177.475 177.300 0.070 0.000 1.148 150 P CA 0.596 63.738 63.100 0.069 0.000 0.834 150 P CB 0.034 31.800 31.700 0.110 0.000 0.783 151 L N -3.315 118.014 121.223 0.176 0.000 2.026 151 L HA -0.146 4.193 4.340 -0.001 0.000 0.664 151 L C -1.395 175.606 176.870 0.219 0.000 1.025 151 L CA 0.053 55.014 54.840 0.202 0.000 1.374 151 L CB -2.007 40.153 42.059 0.168 0.000 2.148 151 L HN -0.066 nan 8.230 nan 0.000 1.004 152 Y N 4.035 124.406 120.300 0.120 0.000 2.313 152 Y HA 0.735 5.285 4.550 -0.001 0.000 0.332 152 Y C 0.535 176.404 175.900 -0.052 0.000 1.071 152 Y CA -0.364 57.778 58.100 0.071 0.000 1.169 152 Y CB 1.647 40.111 38.460 0.006 0.000 1.192 152 Y HN 0.311 nan 8.280 nan 0.000 0.487 153 V N 5.667 125.564 119.914 -0.028 0.000 2.760 153 V HA 0.537 4.656 4.120 -0.001 0.000 0.309 153 V C -0.952 174.921 176.094 -0.370 0.000 1.077 153 V CA -0.828 61.309 62.300 -0.273 0.000 0.910 153 V CB 1.971 33.444 31.823 -0.583 0.000 1.008 153 V HN 0.558 nan 8.190 nan 0.000 0.424 154 L N 2.960 123.952 121.223 -0.385 0.000 2.341 154 L HA 0.866 5.205 4.340 -0.001 0.000 0.254 154 L C -3.006 173.657 176.870 -0.345 0.000 1.040 154 L CA -2.518 52.041 54.840 -0.468 0.000 0.837 154 L CB 1.523 43.220 42.059 -0.602 0.000 1.425 154 L HN 0.350 nan 8.230 nan 0.000 0.414 155 P HA 0.208 nan 4.420 nan 0.000 0.271 155 P C -0.067 177.015 177.300 -0.363 0.000 1.216 155 P CA 0.258 63.142 63.100 -0.359 0.000 0.776 155 P CB 0.812 32.250 31.700 -0.436 0.000 0.881 156 G N 2.195 110.833 108.800 -0.271 0.000 2.415 156 G HA2 0.409 4.368 3.960 -0.001 0.000 0.269 156 G HA3 0.409 4.368 3.960 -0.001 0.000 0.269 156 G C -1.312 173.468 174.900 -0.199 0.000 1.209 156 G CA -0.224 44.826 45.100 -0.085 0.000 0.835 156 G HN 0.356 nan 8.290 nan 0.000 0.534 157 Y N -0.239 120.171 120.300 0.184 0.000 2.446 157 Y HA 0.620 5.170 4.550 -0.001 0.000 0.338 157 Y C 0.633 176.623 175.900 0.149 0.000 1.055 157 Y CA -0.460 57.752 58.100 0.186 0.000 1.101 157 Y CB 2.972 41.583 38.460 0.252 0.000 1.221 157 Y HN 0.447 nan 8.280 nan 0.000 0.460 158 T N 2.018 116.766 114.554 0.324 0.000 3.143 158 T HA 0.285 4.634 4.350 -0.001 0.000 0.312 158 T C -0.917 173.996 174.700 0.355 0.000 0.986 158 T CA -0.873 61.374 62.100 0.245 0.000 1.024 158 T CB 0.237 69.251 68.868 0.243 0.000 1.030 158 T HN 0.840 nan 8.240 nan 0.000 0.448 159 H N 1.978 121.132 119.070 0.140 0.000 3.395 159 H HA -0.152 4.403 4.556 -0.001 0.000 0.222 159 H C 1.086 176.499 175.328 0.143 0.000 1.099 159 H CA 0.818 56.935 56.048 0.115 0.000 1.182 159 H CB -1.464 28.356 29.762 0.097 0.000 1.188 159 H HN 0.645 nan 8.280 nan 0.000 0.317 160 L N -2.046 119.355 121.223 0.297 0.000 4.613 160 L HA -0.282 4.057 4.340 -0.001 0.000 0.409 160 L C -0.162 176.962 176.870 0.424 0.000 1.100 160 L CA 0.749 55.762 54.840 0.288 0.000 1.029 160 L CB -0.454 41.695 42.059 0.151 0.000 2.137 160 L HN 0.388 nan 8.230 nan 0.000 0.713 161 Q N 0.457 120.512 119.800 0.425 0.000 2.266 161 Q HA 0.413 4.752 4.340 -0.001 0.000 0.261 161 Q C -0.009 176.150 176.000 0.266 0.000 0.985 161 Q CA -0.631 55.362 55.803 0.318 0.000 0.873 161 Q CB 1.504 30.352 28.738 0.184 0.000 1.306 161 Q HN 0.202 nan 8.270 nan 0.000 0.447 162 R N 0.774 121.333 120.500 0.098 0.000 2.473 162 R HA 0.080 4.419 4.340 -0.001 0.000 0.315 162 R C 0.541 176.786 176.300 -0.091 0.000 0.972 162 R CA 0.262 56.258 56.100 -0.173 0.000 1.047 162 R CB 0.237 30.455 30.300 -0.137 0.000 0.932 162 R HN 0.688 nan 8.270 nan 0.000 0.411 163 A N 4.075 126.817 122.820 -0.131 0.000 2.179 163 A HA 0.091 4.410 4.320 -0.001 0.000 0.224 163 A C 0.084 177.627 177.584 -0.067 0.000 1.759 163 A CA 0.556 52.569 52.037 -0.039 0.000 0.688 163 A CB 0.431 19.440 19.000 0.015 0.000 1.342 163 A HN 0.651 nan 8.150 nan 0.000 0.543 164 Q N -0.497 119.248 119.800 -0.091 0.000 2.345 164 Q HA 0.398 4.737 4.340 -0.001 0.000 0.275 164 Q C -2.844 173.069 176.000 -0.145 0.000 1.063 164 Q CA -2.331 53.412 55.803 -0.099 0.000 0.819 164 Q CB 2.047 30.750 28.738 -0.058 0.000 1.356 164 Q HN 0.128 nan 8.270 nan 0.000 0.418 165 P HA -0.071 nan 4.420 nan 0.000 0.261 165 P C -1.070 176.109 177.300 -0.203 0.000 1.173 165 P CA 0.387 63.336 63.100 -0.250 0.000 0.760 165 P CB 0.461 31.976 31.700 -0.308 0.000 0.783 166 V N 5.331 125.129 119.914 -0.193 0.000 2.823 166 V HA 0.378 4.497 4.120 -0.001 0.000 0.312 166 V C -0.497 175.516 176.094 -0.134 0.000 1.072 166 V CA -1.207 61.030 62.300 -0.104 0.000 0.937 166 V CB 2.273 34.109 31.823 0.022 0.000 1.013 166 V HN 0.336 nan 8.190 nan 0.000 0.430 167 L N 4.873 126.050 121.223 -0.076 0.000 2.290 167 L HA 0.344 4.683 4.340 -0.001 0.000 0.284 167 L C 1.191 178.066 176.870 0.009 0.000 1.078 167 L CA -0.124 54.682 54.840 -0.056 0.000 0.815 167 L CB 1.177 43.209 42.059 -0.044 0.000 1.162 167 L HN 0.767 nan 8.230 nan 0.000 0.435 168 L N 4.149 125.319 121.223 -0.089 0.000 2.129 168 L HA -0.245 4.094 4.340 -0.001 0.000 0.212 168 L C 2.284 179.143 176.870 -0.020 0.000 1.087 168 L CA 1.763 56.462 54.840 -0.235 0.000 0.757 168 L CB -0.084 41.668 42.059 -0.512 0.000 0.896 168 L HN 0.947 nan 8.230 nan 0.000 0.434 169 A N -1.458 121.441 122.820 0.132 0.000 1.902 169 A HA -0.286 4.033 4.320 -0.001 0.000 0.217 169 A C 2.164 179.900 177.584 0.253 0.000 1.181 169 A CA 1.585 53.776 52.037 0.257 0.000 0.623 169 A CB -0.915 18.190 19.000 0.174 0.000 0.818 169 A HN 0.593 nan 8.150 nan 0.000 0.443 170 H N -2.795 116.322 119.070 0.077 0.000 2.353 170 H HA -0.231 4.324 4.556 -0.001 0.000 0.300 170 H C 2.026 177.408 175.328 0.089 0.000 1.090 170 H CA 1.839 57.919 56.048 0.054 0.000 1.327 170 H CB -0.179 29.593 29.762 0.017 0.000 1.383 170 H HN 0.729 nan 8.280 nan 0.000 0.508 171 W N 0.996 122.237 121.300 -0.098 0.000 2.335 171 W HA -0.243 4.416 4.660 -0.002 0.000 0.311 171 W C 1.964 178.405 176.519 -0.129 0.000 1.213 171 W CA 2.033 59.268 57.345 -0.183 0.000 1.274 171 W CB -0.859 28.444 29.460 -0.262 0.000 1.148 171 W HN 0.111 nan 8.180 nan 0.000 0.498 172 F N -0.052 120.043 119.950 0.241 0.000 2.171 172 F HA -0.228 4.298 4.527 -0.001 0.000 0.300 172 F C 2.292 178.107 175.800 0.026 0.000 1.090 172 F CA 1.253 59.323 58.000 0.116 0.000 1.293 172 F CB -0.804 38.285 39.000 0.148 0.000 1.013 172 F HN -0.205 nan 8.300 nan 0.000 0.486 173 L N -0.540 120.776 121.223 0.155 0.000 2.201 173 L HA -0.173 4.166 4.340 -0.001 0.000 0.212 173 L C 2.660 179.504 176.870 -0.043 0.000 1.105 173 L CA 0.800 55.685 54.840 0.075 0.000 0.775 173 L CB -0.953 41.114 42.059 0.013 0.000 0.913 173 L HN 0.148 nan 8.230 nan 0.000 0.440 174 A N -0.647 122.019 122.820 -0.256 0.000 1.972 174 A HA -0.216 4.103 4.320 -0.001 0.000 0.219 174 A C 1.893 179.174 177.584 -0.505 0.000 1.169 174 A CA 1.392 53.164 52.037 -0.441 0.000 0.635 174 A CB -0.547 18.080 19.000 -0.622 0.000 0.810 174 A HN 0.371 nan 8.150 nan 0.000 0.446 175 Y N -2.703 117.433 120.300 -0.273 0.000 2.448 175 Y HA -0.024 4.526 4.550 -0.001 0.000 0.289 175 Y C 2.131 177.951 175.900 -0.133 0.000 1.114 175 Y CA 0.676 58.619 58.100 -0.262 0.000 1.235 175 Y CB -0.584 37.700 38.460 -0.293 0.000 1.045 175 Y HN 0.495 nan 8.280 nan 0.000 0.554 176 Y N 1.419 121.713 120.300 -0.010 0.000 2.128 176 Y HA -0.242 4.307 4.550 -0.001 0.000 0.284 176 Y C 2.114 177.989 175.900 -0.041 0.000 1.154 176 Y CA 1.844 59.940 58.100 -0.006 0.000 1.149 176 Y CB -0.110 38.351 38.460 0.002 0.000 0.976 176 Y HN -0.005 nan 8.280 nan 0.000 0.505 177 E N -0.008 120.129 120.200 -0.105 0.000 2.106 177 E HA -0.186 4.163 4.350 -0.001 0.000 0.192 177 E C 2.260 178.734 176.600 -0.209 0.000 0.984 177 E CA 1.588 57.881 56.400 -0.180 0.000 0.806 177 E CB -0.420 29.231 29.700 -0.082 0.000 0.750 177 E HN 0.620 nan 8.360 nan 0.000 0.458 178 M N 0.015 119.460 119.600 -0.257 0.000 2.067 178 M HA -0.175 4.305 4.480 -0.001 0.000 0.260 178 M C 2.177 178.390 176.300 -0.146 0.000 1.069 178 M CA 1.222 56.299 55.300 -0.372 0.000 1.117 178 M CB -0.318 31.778 32.600 -0.840 0.000 1.334 178 M HN 0.046 nan 8.290 nan 0.000 0.407 179 L N 0.294 121.454 121.223 -0.106 0.000 2.201 179 L HA -0.124 4.215 4.340 -0.001 0.000 0.212 179 L C 2.370 179.198 176.870 -0.069 0.000 1.105 179 L CA 1.622 56.462 54.840 -0.001 0.000 0.775 179 L CB -0.829 41.223 42.059 -0.011 0.000 0.913 179 L HN 0.260 nan 8.230 nan 0.000 0.440 180 K N -0.338 119.934 120.400 -0.212 0.000 2.097 180 K HA -0.152 4.167 4.320 -0.001 0.000 0.206 180 K C 2.258 178.796 176.600 -0.104 0.000 1.049 180 K CA 1.230 57.371 56.287 -0.243 0.000 0.933 180 K CB 0.012 32.254 32.500 -0.430 0.000 0.717 180 K HN 0.175 nan 8.250 nan 0.000 0.442 181 R N 0.360 120.824 120.500 -0.060 0.000 2.148 181 R HA -0.067 4.272 4.340 -0.001 0.000 0.223 181 R C 1.594 177.907 176.300 0.022 0.000 1.088 181 R CA 1.257 57.353 56.100 -0.006 0.000 0.985 181 R CB -0.054 30.262 30.300 0.025 0.000 0.880 181 R HN 0.333 nan 8.270 nan 0.000 0.451 182 D N 0.504 120.940 120.400 0.060 0.000 2.178 182 D HA -0.083 4.556 4.640 -0.001 0.000 0.202 182 D C 1.695 178.022 176.300 0.046 0.000 0.974 182 D CA 1.100 55.139 54.000 0.065 0.000 0.841 182 D CB 0.081 40.972 40.800 0.153 0.000 0.953 182 D HN 0.215 nan 8.370 nan 0.000 0.478 183 A N 0.971 123.809 122.820 0.030 0.000 1.897 183 A HA 0.015 4.334 4.320 -0.001 0.000 0.215 183 A C 2.393 179.983 177.584 0.009 0.000 1.181 183 A CA 1.830 53.879 52.037 0.020 0.000 0.620 183 A CB -1.015 17.982 19.000 -0.005 0.000 0.821 183 A HN 0.277 nan 8.150 nan 0.000 0.443 184 G N -0.497 108.302 108.800 -0.002 0.000 2.469 184 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.219 184 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.219 184 G C 1.802 176.703 174.900 0.001 0.000 1.150 184 G CA 1.052 46.150 45.100 -0.002 0.000 0.763 184 G HN 0.548 nan 8.290 nan 0.000 0.561 185 R N -0.958 119.541 120.500 -0.002 0.000 2.073 185 R HA 0.084 4.423 4.340 -0.001 0.000 0.229 185 R C 2.533 178.834 176.300 0.001 0.000 1.120 185 R CA 0.616 56.710 56.100 -0.009 0.000 0.967 185 R CB -0.370 29.910 30.300 -0.032 0.000 0.862 185 R HN 0.262 nan 8.270 nan 0.000 0.436 186 L N 0.847 122.076 121.223 0.009 0.000 2.046 186 L HA -0.160 4.180 4.340 -0.001 0.000 0.208 186 L C 2.223 179.107 176.870 0.023 0.000 1.077 186 L CA 1.713 56.566 54.840 0.022 0.000 0.747 186 L CB -0.518 41.568 42.059 0.045 0.000 0.896 186 L HN 0.085 nan 8.230 nan 0.000 0.432 187 E N -0.272 119.938 120.200 0.017 0.000 2.017 187 E HA -0.220 4.130 4.350 -0.001 0.000 0.193 187 E C 1.838 178.449 176.600 0.018 0.000 0.997 187 E CA 1.569 57.978 56.400 0.014 0.000 0.804 187 E CB -0.111 29.595 29.700 0.009 0.000 0.757 187 E HN 0.367 nan 8.360 nan 0.000 0.448 188 D N -0.352 120.058 120.400 0.016 0.000 2.182 188 D HA -0.156 4.484 4.640 -0.001 0.000 0.201 188 D C 1.635 177.954 176.300 0.031 0.000 0.986 188 D CA 1.365 55.377 54.000 0.020 0.000 0.847 188 D CB -0.342 40.467 40.800 0.015 0.000 0.942 188 D HN 0.308 nan 8.370 nan 0.000 0.467 189 A N 0.683 123.524 122.820 0.035 0.000 1.897 189 A HA -0.157 4.163 4.320 -0.001 0.000 0.215 189 A C 2.056 179.680 177.584 0.067 0.000 1.181 189 A CA 1.502 53.573 52.037 0.056 0.000 0.620 189 A CB -0.394 18.639 19.000 0.055 0.000 0.821 189 A HN 0.160 nan 8.150 nan 0.000 0.443 190 K N 0.016 120.445 120.400 0.048 0.000 2.009 190 K HA -0.265 4.054 4.320 -0.001 0.000 0.210 190 K C 1.988 178.608 176.600 0.033 0.000 1.049 190 K CA 2.045 58.355 56.287 0.039 0.000 0.929 190 K CB -0.206 32.305 32.500 0.018 0.000 0.714 190 K HN 0.376 nan 8.250 nan 0.000 0.440 191 E N 0.910 121.127 120.200 0.029 0.000 2.209 191 E HA -0.208 4.141 4.350 -0.001 0.000 0.196 191 E C 1.967 178.589 176.600 0.036 0.000 0.993 191 E CA 1.414 57.831 56.400 0.027 0.000 0.819 191 E CB -0.101 29.612 29.700 0.022 0.000 0.745 191 E HN 0.327 nan 8.360 nan 0.000 0.477 192 R N -0.253 120.274 120.500 0.046 0.000 2.161 192 R HA 0.007 4.346 4.340 -0.001 0.000 0.213 192 R C 1.990 178.321 176.300 0.052 0.000 1.055 192 R CA 1.051 57.182 56.100 0.051 0.000 0.996 192 R CB -0.168 30.170 30.300 0.063 0.000 0.901 192 R HN 0.382 nan 8.270 nan 0.000 0.456 193 L N -1.557 119.700 121.223 0.056 0.000 2.529 193 L HA 0.275 4.614 4.340 -0.001 0.000 0.223 193 L C 0.717 177.598 176.870 0.017 0.000 1.113 193 L CA 0.747 55.583 54.840 -0.007 0.000 0.861 193 L CB -0.392 41.669 42.059 0.004 0.000 1.012 193 L HN -0.127 nan 8.230 nan 0.000 0.461 194 N N 1.668 120.418 118.700 0.084 0.000 3.115 194 N HA 0.048 4.788 4.740 -0.001 0.000 0.305 194 N C -0.647 175.054 175.510 0.319 0.000 1.305 194 N CA 0.202 53.379 53.050 0.212 0.000 1.154 194 N CB -0.295 38.234 38.487 0.069 0.000 1.454 194 N HN 0.542 nan 8.380 nan 0.000 0.551 195 E N -0.783 119.508 120.200 0.152 0.000 2.227 195 E HA 0.273 4.622 4.350 -0.001 0.000 0.268 195 E C -1.126 175.040 176.600 -0.724 0.000 0.907 195 E CA -0.721 55.596 56.400 -0.137 0.000 0.786 195 E CB 1.507 31.115 29.700 -0.153 0.000 1.191 195 E HN 0.097 nan 8.360 nan 0.000 0.411 196 S N 2.586 117.710 115.700 -0.960 0.000 2.457 196 S HA 0.310 4.780 4.470 -0.001 0.000 0.289 196 S C -1.871 172.313 174.600 -0.692 0.000 1.163 196 S CA -1.602 55.733 58.200 -1.441 0.000 1.078 196 S CB 0.900 63.430 63.200 -1.117 0.000 0.987 196 S HN 0.394 nan 8.310 nan 0.000 0.482 197 P HA 0.136 nan 4.420 nan 0.000 0.252 197 P C 0.371 177.533 177.300 -0.229 0.000 1.218 197 P CA -0.203 62.714 63.100 -0.305 0.000 0.807 197 P CB 0.097 31.656 31.700 -0.235 0.000 1.072 198 L N 1.150 122.218 121.223 -0.259 0.000 2.485 198 L HA 0.373 4.712 4.340 -0.001 0.000 0.275 198 L C 1.307 178.105 176.870 -0.120 0.000 1.207 198 L CA 1.864 56.603 54.840 -0.167 0.000 0.855 198 L CB -0.728 41.245 42.059 -0.143 0.000 1.114 198 L HN 0.377 nan 8.230 nan 0.000 0.485 199 G N 2.782 111.538 108.800 -0.074 0.000 2.141 199 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.231 199 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.231 199 G C 0.550 175.429 174.900 -0.035 0.000 0.984 199 G CA 0.300 45.383 45.100 -0.029 0.000 0.660 199 G HN 1.311 nan 8.290 nan 0.000 0.525 200 A N -0.840 121.946 122.820 -0.056 0.000 2.390 200 A HA 0.905 5.224 4.320 -0.001 0.000 0.232 200 A C 1.870 179.437 177.584 -0.029 0.000 1.233 200 A CA 1.686 53.698 52.037 -0.041 0.000 0.907 200 A CB -0.270 18.697 19.000 -0.054 0.000 0.967 200 A HN 2.609 nan 8.150 nan 0.000 0.512 201 A N -0.843 121.952 122.820 -0.041 0.000 5.581 201 A HA -0.075 4.245 4.320 -0.001 0.000 0.286 201 A C 1.900 179.456 177.584 -0.045 0.000 2.048 201 A CA 1.551 53.563 52.037 -0.042 0.000 0.715 201 A CB -1.860 17.137 19.000 -0.004 0.000 1.192 201 A HN 1.841 nan 8.150 nan 0.000 0.364 202 A N -1.515 121.290 122.820 -0.025 0.000 1.984 202 A HA 0.481 4.800 4.320 -0.001 0.000 0.214 202 A C 1.824 179.415 177.584 0.012 0.000 1.173 202 A CA 2.511 54.536 52.037 -0.020 0.000 0.673 202 A CB -0.464 18.531 19.000 -0.009 0.000 0.830 202 A HN 2.183 nan 8.150 nan 0.000 0.453 203 L N -6.215 115.018 121.223 0.017 0.000 1.967 203 L HA 0.550 4.889 4.340 -0.001 0.000 0.222 203 L C 0.780 177.661 176.870 0.018 0.000 1.189 203 L CA 0.179 55.035 54.840 0.028 0.000 1.303 203 L CB -0.288 41.797 42.059 0.043 0.000 2.607 203 L HN 0.092 nan 8.230 nan 0.000 0.524 204 A N 1.206 124.037 122.820 0.017 0.000 2.247 204 A HA 0.811 5.130 4.320 -0.001 0.000 0.313 204 A C 0.778 178.370 177.584 0.014 0.000 1.109 204 A CA 0.221 52.267 52.037 0.015 0.000 0.890 204 A CB 0.253 19.263 19.000 0.017 0.000 1.239 204 A HN 0.316 nan 8.150 nan 0.000 0.506 205 G N -1.294 107.516 108.800 0.017 0.000 2.529 205 G HA2 0.443 4.402 3.960 -0.001 0.000 0.234 205 G HA3 0.443 4.402 3.960 -0.001 0.000 0.234 205 G C 0.169 175.094 174.900 0.041 0.000 1.527 205 G CA 0.779 45.893 45.100 0.023 0.000 1.062 205 G HN 1.018 nan 8.290 nan 0.000 0.558 206 T N -3.012 111.580 114.554 0.064 0.000 2.865 206 T HA 0.540 4.890 4.350 -0.001 0.000 0.294 206 T C 1.107 175.863 174.700 0.094 0.000 1.119 206 T CA 0.485 62.654 62.100 0.115 0.000 1.007 206 T CB 1.410 70.396 68.868 0.196 0.000 1.225 206 T HN 0.622 nan 8.240 nan 0.000 0.515 207 G N 0.567 109.413 108.800 0.076 0.000 2.595 207 G HA2 0.201 4.160 3.960 -0.001 0.000 0.213 207 G HA3 0.201 4.160 3.960 -0.001 0.000 0.213 207 G C 0.250 175.127 174.900 -0.039 0.000 1.141 207 G CA -0.218 44.859 45.100 -0.039 0.000 0.806 207 G HN 0.563 nan 8.290 nan 0.000 0.530 208 F N 1.746 121.686 119.950 -0.016 0.000 2.595 208 F HA 0.183 4.709 4.527 -0.001 0.000 0.359 208 F C -0.867 174.922 175.800 -0.019 0.000 1.147 208 F CA -1.619 56.370 58.000 -0.019 0.000 1.341 208 F CB 0.602 39.590 39.000 -0.019 0.000 1.104 208 F HN -0.020 nan 8.300 nan 0.000 0.603 209 P HA 0.012 nan 4.420 nan 0.000 0.277 209 P C 0.036 177.375 177.300 0.065 0.000 1.617 209 P CA 0.269 63.413 63.100 0.073 0.000 0.829 209 P CB -0.336 31.385 31.700 0.034 0.000 1.774 210 I N 1.476 122.104 120.570 0.096 0.000 2.754 210 I HA 0.045 4.214 4.170 -0.001 0.000 0.285 210 I C 0.555 176.708 176.117 0.061 0.000 1.166 210 I CA 0.367 61.703 61.300 0.060 0.000 1.417 210 I CB 0.198 38.239 38.000 0.070 0.000 1.382 210 I HN -0.081 nan 8.210 nan 0.000 0.588 211 D N 5.529 125.967 120.400 0.065 0.000 2.440 211 D HA 0.332 4.971 4.640 -0.001 0.000 0.239 211 D C 0.608 177.009 176.300 0.169 0.000 1.084 211 D CA -0.382 53.686 54.000 0.114 0.000 0.843 211 D CB 0.918 41.774 40.800 0.092 0.000 1.097 211 D HN 0.426 nan 8.370 nan 0.000 0.531 212 R N 1.925 122.522 120.500 0.161 0.000 2.161 212 R HA -0.007 4.332 4.340 -0.001 0.000 0.213 212 R C 1.038 177.362 176.300 0.041 0.000 1.055 212 R CA 0.618 56.763 56.100 0.075 0.000 0.996 212 R CB 0.074 30.367 30.300 -0.012 0.000 0.901 212 R HN 0.540 nan 8.270 nan 0.000 0.456 213 H N -0.591 118.522 119.070 0.073 0.000 2.423 213 H HA -0.092 4.464 4.556 -0.001 0.000 0.297 213 H C 1.469 176.862 175.328 0.108 0.000 1.075 213 H CA 1.369 57.459 56.048 0.070 0.000 1.342 213 H CB -0.132 29.672 29.762 0.069 0.000 1.395 213 H HN 0.107 nan 8.280 nan 0.000 0.530 214 F N 1.378 121.403 119.950 0.124 0.000 2.102 214 F HA -0.239 4.287 4.527 -0.001 0.000 0.298 214 F C 2.550 178.381 175.800 0.052 0.000 1.105 214 F CA 1.863 59.911 58.000 0.079 0.000 1.239 214 F CB -0.672 38.365 39.000 0.062 0.000 0.991 214 F HN 0.232 nan 8.300 nan 0.000 0.474 215 T N -1.032 113.581 114.554 0.099 0.000 2.701 215 T HA -0.097 4.252 4.350 -0.001 0.000 0.263 215 T C 2.220 176.875 174.700 -0.076 0.000 1.040 215 T CA 1.206 63.289 62.100 -0.029 0.000 1.147 215 T CB -1.351 67.560 68.868 0.070 0.000 0.865 215 T HN 0.295 nan 8.240 nan 0.000 0.426 216 A N 2.814 125.604 122.820 -0.050 0.000 1.869 216 A HA -0.217 4.102 4.320 -0.001 0.000 0.218 216 A C 2.539 180.138 177.584 0.025 0.000 1.203 216 A CA 2.712 54.742 52.037 -0.012 0.000 0.638 216 A CB -1.065 17.862 19.000 -0.123 0.000 0.831 216 A HN 0.687 nan 8.150 nan 0.000 0.450 217 R N -0.555 119.925 120.500 -0.033 0.000 2.080 217 R HA -0.180 4.159 4.340 -0.001 0.000 0.236 217 R C 1.978 178.217 176.300 -0.102 0.000 1.137 217 R CA 1.922 57.995 56.100 -0.044 0.000 0.943 217 R CB -0.401 29.884 30.300 -0.026 0.000 0.846 217 R HN 0.531 nan 8.270 nan 0.000 0.431 218 E N 0.621 120.684 120.200 -0.228 0.000 2.153 218 E HA -0.162 4.187 4.350 -0.001 0.000 0.194 218 E C 1.860 178.375 176.600 -0.142 0.000 0.988 218 E CA 0.967 57.231 56.400 -0.226 0.000 0.811 218 E CB -0.037 29.394 29.700 -0.450 0.000 0.746 218 E HN 0.481 nan 8.360 nan 0.000 0.466 219 L N -0.266 120.803 121.223 -0.256 0.000 2.627 219 L HA 0.051 4.390 4.340 -0.001 0.000 0.233 219 L C 1.420 177.976 176.870 -0.523 0.000 1.144 219 L CA 0.468 54.959 54.840 -0.581 0.000 0.892 219 L CB -0.114 41.660 42.059 -0.475 0.000 1.039 219 L HN 0.265 nan 8.230 nan 0.000 0.442 220 G N -0.569 108.118 108.800 -0.188 0.000 2.253 220 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.251 220 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.251 220 G C 0.299 175.091 174.900 -0.181 0.000 0.998 220 G CA -0.311 44.704 45.100 -0.142 0.000 0.621 220 G HN 0.167 nan 8.290 nan 0.000 0.524 221 F N 1.116 120.987 119.950 -0.132 0.000 2.539 221 F HA 0.375 4.902 4.527 -0.001 0.000 0.340 221 F C 1.861 177.610 175.800 -0.085 0.000 1.185 221 F CA 0.877 58.807 58.000 -0.117 0.000 1.333 221 F CB 0.652 39.560 39.000 -0.153 0.000 1.152 221 F HN 0.109 nan 8.300 nan 0.000 0.602 222 K N 1.213 121.708 120.400 0.159 0.000 2.025 222 K HA 0.235 4.554 4.320 -0.001 0.000 0.207 222 K C 0.130 176.756 176.600 0.043 0.000 1.049 222 K CA 1.397 57.726 56.287 0.071 0.000 0.933 222 K CB 0.075 32.607 32.500 0.053 0.000 0.714 222 K HN 0.733 nan 8.250 nan 0.000 0.438 223 A N -0.195 122.633 122.820 0.012 0.000 2.540 223 A HA 0.498 4.817 4.320 -0.001 0.000 0.291 223 A C -2.917 174.556 177.584 -0.184 0.000 1.083 223 A CA -1.337 50.654 52.037 -0.076 0.000 0.650 223 A CB 1.113 20.085 19.000 -0.047 0.000 1.292 223 A HN 0.002 nan 8.150 nan 0.000 0.435 224 P HA 0.383 nan 4.420 nan 0.000 0.275 224 P C -0.403 176.756 177.300 -0.235 0.000 1.228 224 P CA -0.012 62.886 63.100 -0.337 0.000 0.786 224 P CB 0.455 31.876 31.700 -0.466 0.000 0.927 225 M N 3.360 122.822 119.600 -0.230 0.000 2.219 225 M HA 0.095 4.574 4.480 -0.001 0.000 0.353 225 M C 1.589 177.826 176.300 -0.104 0.000 1.304 225 M CA 0.186 55.392 55.300 -0.156 0.000 1.115 225 M CB 0.705 33.206 32.600 -0.165 0.000 1.664 225 M HN 0.265 nan 8.290 nan 0.000 0.459 226 R N 1.601 122.063 120.500 -0.064 0.000 2.404 226 R HA 0.138 4.477 4.340 -0.001 0.000 0.236 226 R C -0.443 175.844 176.300 -0.021 0.000 1.044 226 R CA 0.094 56.175 56.100 -0.032 0.000 1.133 226 R CB -0.547 29.745 30.300 -0.012 0.000 1.142 226 R HN 0.550 nan 8.270 nan 0.000 0.512 227 N N 1.061 119.744 118.700 -0.028 0.000 2.599 227 N HA -0.027 4.712 4.740 -0.001 0.000 0.283 227 N C 0.296 175.796 175.510 -0.017 0.000 1.160 227 N CA 0.078 53.119 53.050 -0.015 0.000 0.869 227 N CB 1.905 40.388 38.487 -0.007 0.000 1.448 227 N HN 0.108 nan 8.380 nan 0.000 0.535 228 S N 3.136 118.828 115.700 -0.013 0.000 2.387 228 S HA -0.153 4.316 4.470 -0.001 0.000 0.230 228 S C 1.949 176.550 174.600 0.002 0.000 1.035 228 S CA 0.739 58.932 58.200 -0.012 0.000 1.014 228 S CB -0.231 62.967 63.200 -0.004 0.000 0.836 228 S HN 0.569 nan 8.310 nan 0.000 0.466 229 L N 1.444 122.673 121.223 0.010 0.000 1.976 229 L HA -0.131 4.209 4.340 -0.001 0.000 0.209 229 L C 2.784 179.669 176.870 0.025 0.000 1.071 229 L CA 2.119 56.971 54.840 0.021 0.000 0.746 229 L CB -0.943 41.127 42.059 0.018 0.000 0.890 229 L HN 0.367 nan 8.230 nan 0.000 0.432 230 D N -0.034 120.375 120.400 0.016 0.000 2.103 230 D HA -0.239 4.400 4.640 -0.001 0.000 0.190 230 D C 2.154 178.471 176.300 0.028 0.000 0.997 230 D CA 1.648 55.661 54.000 0.022 0.000 0.833 230 D CB 0.044 40.851 40.800 0.012 0.000 0.961 230 D HN 0.276 nan 8.370 nan 0.000 0.447 231 A N -0.125 122.695 122.820 0.000 0.000 1.971 231 A HA -0.211 4.108 4.320 -0.001 0.000 0.222 231 A C 2.338 179.930 177.584 0.013 0.000 1.182 231 A CA 2.530 54.553 52.037 -0.023 0.000 0.649 231 A CB -0.935 18.026 19.000 -0.067 0.000 0.818 231 A HN 0.519 nan 8.150 nan 0.000 0.458 232 V N -5.436 114.504 119.914 0.043 0.000 3.578 232 V HA 0.669 4.788 4.120 -0.001 0.000 0.290 232 V C 1.627 177.808 176.094 0.144 0.000 1.376 232 V CA 1.041 63.396 62.300 0.092 0.000 1.083 232 V CB -0.067 31.805 31.823 0.082 0.000 0.911 232 V HN 0.509 nan 8.190 nan 0.000 0.433 233 A N -0.054 122.827 122.820 0.102 0.000 2.108 233 A HA 0.430 4.750 4.320 -0.001 0.000 0.206 233 A C 1.419 179.045 177.584 0.071 0.000 1.212 233 A CA 0.520 52.603 52.037 0.077 0.000 0.843 233 A CB -0.015 19.012 19.000 0.045 0.000 0.902 233 A HN 0.439 nan 8.150 nan 0.000 0.477 234 S N 1.258 117.019 115.700 0.103 0.000 2.505 234 S HA 0.370 4.840 4.470 -0.001 0.000 0.276 234 S C 0.522 175.260 174.600 0.230 0.000 1.274 234 S CA -0.288 57.988 58.200 0.127 0.000 1.053 234 S CB 0.404 63.686 63.200 0.137 0.000 0.919 234 S HN 0.351 nan 8.310 nan 0.000 0.490 235 R N 1.822 122.332 120.500 0.016 0.000 2.629 235 R HA 0.094 4.433 4.340 -0.001 0.000 0.408 235 R C 0.380 176.379 176.300 -0.502 0.000 1.057 235 R CA -0.125 55.768 56.100 -0.346 0.000 1.119 235 R CB -0.046 30.093 30.300 -0.268 0.000 1.403 235 R HN 0.712 nan 8.270 nan 0.000 0.576 236 D N 0.425 120.722 120.400 -0.171 0.000 2.219 236 D HA -0.186 4.454 4.640 -0.001 0.000 0.205 236 D C 1.595 177.841 176.300 -0.091 0.000 0.970 236 D CA 0.774 54.712 54.000 -0.103 0.000 0.851 236 D CB -0.460 40.350 40.800 0.017 0.000 0.943 236 D HN 0.288 nan 8.370 nan 0.000 0.488 237 F N 1.207 121.173 119.950 0.026 0.000 2.171 237 F HA 0.208 4.734 4.527 -0.001 0.000 0.300 237 F C 2.558 178.385 175.800 0.045 0.000 1.090 237 F CA 0.536 58.560 58.000 0.039 0.000 1.293 237 F CB -1.140 37.890 39.000 0.049 0.000 1.013 237 F HN 0.072 nan 8.300 nan 0.000 0.486 238 A N 1.356 123.622 122.820 -0.923 0.000 1.908 238 A HA -0.078 4.242 4.320 -0.001 0.000 0.218 238 A C 2.006 179.473 177.584 -0.196 0.000 1.181 238 A CA 1.879 53.620 52.037 -0.494 0.000 0.627 238 A CB -1.168 17.445 19.000 -0.645 0.000 0.818 238 A HN 0.402 nan 8.150 nan 0.000 0.445 239 L N -0.322 120.778 121.223 -0.206 0.000 2.291 239 L HA -0.031 4.309 4.340 -0.001 0.000 0.214 239 L C 2.250 179.198 176.870 0.130 0.000 1.120 239 L CA 1.619 56.422 54.840 -0.062 0.000 0.799 239 L CB -0.609 41.349 42.059 -0.169 0.000 0.925 239 L HN 0.515 nan 8.230 nan 0.000 0.446 240 E N -0.560 119.681 120.200 0.070 0.000 2.230 240 E HA -0.087 4.263 4.350 -0.001 0.000 0.192 240 E C 2.062 178.700 176.600 0.064 0.000 0.987 240 E CA 0.584 57.037 56.400 0.089 0.000 0.841 240 E CB 0.377 30.129 29.700 0.086 0.000 0.783 240 E HN 0.321 nan 8.360 nan 0.000 0.481 241 V N 1.112 121.065 119.914 0.064 0.000 2.379 241 V HA -0.184 3.935 4.120 -0.001 0.000 0.243 241 V C 2.389 178.490 176.094 0.011 0.000 1.035 241 V CA 0.952 63.277 62.300 0.042 0.000 1.035 241 V CB -0.363 31.506 31.823 0.077 0.000 0.673 241 V HN 0.283 nan 8.190 nan 0.000 0.457 242 L N 0.455 121.712 121.223 0.057 0.000 2.187 242 L HA -0.178 4.161 4.340 -0.001 0.000 0.213 242 L C 2.688 179.576 176.870 0.030 0.000 1.100 242 L CA 1.745 56.632 54.840 0.079 0.000 0.765 242 L CB -0.515 41.650 42.059 0.177 0.000 0.904 242 L HN 0.453 nan 8.230 nan 0.000 0.437 243 S N -0.290 115.422 115.700 0.021 0.000 2.371 243 S HA -0.116 4.354 4.470 -0.001 0.000 0.224 243 S C 2.132 176.574 174.600 -0.263 0.000 1.029 243 S CA 1.057 59.091 58.200 -0.276 0.000 0.978 243 S CB 0.019 63.116 63.200 -0.172 0.000 0.833 243 S HN 0.415 nan 8.310 nan 0.000 0.466 244 A N 1.679 124.396 122.820 -0.172 0.000 1.873 244 A HA 0.130 4.449 4.320 -0.001 0.000 0.215 244 A C 2.228 179.614 177.584 -0.330 0.000 1.186 244 A CA 1.337 53.253 52.037 -0.201 0.000 0.616 244 A CB -0.897 18.031 19.000 -0.120 0.000 0.823 244 A HN 0.568 nan 8.150 nan 0.000 0.442 245 L N -0.046 120.974 121.223 -0.338 0.000 2.013 245 L HA -0.281 4.059 4.340 -0.001 0.000 0.212 245 L C 2.602 179.169 176.870 -0.505 0.000 1.073 245 L CA 1.946 56.454 54.840 -0.553 0.000 0.753 245 L CB -0.774 41.106 42.059 -0.298 0.000 0.890 245 L HN 0.660 nan 8.230 nan 0.000 0.432 246 N N 0.833 119.336 118.700 -0.328 0.000 2.013 246 N HA -0.228 4.511 4.740 -0.001 0.000 0.195 246 N C 2.024 177.351 175.510 -0.304 0.000 1.051 246 N CA 1.590 54.471 53.050 -0.282 0.000 0.851 246 N CB -0.090 38.216 38.487 -0.301 0.000 1.044 246 N HN 0.215 nan 8.380 nan 0.000 0.422 247 I N 0.724 121.089 120.570 -0.342 0.000 2.335 247 I HA -0.192 3.978 4.170 -0.001 0.000 0.251 247 I C 2.462 178.324 176.117 -0.426 0.000 1.129 247 I CA 1.222 62.292 61.300 -0.384 0.000 1.402 247 I CB -0.596 37.185 38.000 -0.366 0.000 1.069 247 I HN 0.344 nan 8.210 nan 0.000 0.424 248 G N 0.423 108.994 108.800 -0.382 0.000 2.394 248 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.215 248 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.215 248 G C 1.661 176.567 174.900 0.009 0.000 1.165 248 G CA 0.232 45.185 45.100 -0.245 0.000 0.784 248 G HN 0.095 nan 8.290 nan 0.000 0.535 249 M N 0.217 119.737 119.600 -0.134 0.000 2.175 249 M HA 0.166 4.645 4.480 -0.001 0.000 0.264 249 M C 2.614 178.930 176.300 0.028 0.000 1.063 249 M CA 0.776 56.110 55.300 0.056 0.000 1.119 249 M CB -0.872 31.724 32.600 -0.006 0.000 1.377 249 M HN 0.181 nan 8.290 nan 0.000 0.415 250 L N -1.403 119.783 121.223 -0.061 0.000 2.131 250 L HA -0.263 4.076 4.340 -0.001 0.000 0.210 250 L C 2.326 179.234 176.870 0.064 0.000 1.092 250 L CA 1.257 56.071 54.840 -0.044 0.000 0.759 250 L CB -0.697 41.285 42.059 -0.129 0.000 0.903 250 L HN 0.421 nan 8.230 nan 0.000 0.435 251 H N -0.599 118.487 119.070 0.027 0.000 2.357 251 H HA -0.100 4.455 4.556 -0.001 0.000 0.301 251 H C 2.334 177.706 175.328 0.073 0.000 1.082 251 H CA 0.866 56.960 56.048 0.076 0.000 1.342 251 H CB 0.158 29.973 29.762 0.088 0.000 1.389 251 H HN 0.236 nan 8.280 nan 0.000 0.511 252 L N 0.592 121.923 121.223 0.180 0.000 2.191 252 L HA -0.161 4.179 4.340 -0.001 0.000 0.212 252 L C 2.621 179.495 176.870 0.007 0.000 1.103 252 L CA 1.162 56.035 54.840 0.054 0.000 0.769 252 L CB -0.415 41.690 42.059 0.077 0.000 0.908 252 L HN 0.373 nan 8.230 nan 0.000 0.438 253 S N -0.231 115.492 115.700 0.037 0.000 2.406 253 S HA -0.109 4.360 4.470 -0.001 0.000 0.228 253 S C 2.013 176.619 174.600 0.009 0.000 1.020 253 S CA 0.301 58.506 58.200 0.009 0.000 0.965 253 S CB -0.218 62.988 63.200 0.008 0.000 0.798 253 S HN 0.404 nan 8.310 nan 0.000 0.488 254 R N 0.274 120.811 120.500 0.061 0.000 2.115 254 R HA 0.182 4.521 4.340 -0.001 0.000 0.226 254 R C 2.460 178.803 176.300 0.071 0.000 1.100 254 R CA 1.359 57.516 56.100 0.096 0.000 0.980 254 R CB -0.375 30.036 30.300 0.186 0.000 0.875 254 R HN 0.493 nan 8.270 nan 0.000 0.445 255 M N 0.323 119.868 119.600 -0.091 0.000 2.160 255 M HA -0.010 4.469 4.480 -0.001 0.000 0.264 255 M C 2.228 178.451 176.300 -0.128 0.000 1.073 255 M CA 1.511 56.607 55.300 -0.340 0.000 1.142 255 M CB -0.027 32.102 32.600 -0.787 0.000 1.358 255 M HN 0.191 nan 8.290 nan 0.000 0.422 256 A N 0.432 123.189 122.820 -0.106 0.000 1.865 256 A HA -0.254 4.065 4.320 -0.001 0.000 0.217 256 A C 1.835 179.365 177.584 -0.089 0.000 1.191 256 A CA 2.255 54.244 52.037 -0.080 0.000 0.623 256 A CB -1.047 17.915 19.000 -0.062 0.000 0.826 256 A HN 0.662 nan 8.150 nan 0.000 0.444 257 E N 0.358 120.508 120.200 -0.083 0.000 2.086 257 E HA -0.246 4.103 4.350 -0.001 0.000 0.200 257 E C 1.849 178.333 176.600 -0.194 0.000 1.012 257 E CA 2.149 58.481 56.400 -0.114 0.000 0.812 257 E CB -0.374 29.276 29.700 -0.083 0.000 0.743 257 E HN 0.711 nan 8.360 nan 0.000 0.453 258 E N -0.325 119.763 120.200 -0.186 0.000 2.153 258 E HA -0.140 4.209 4.350 -0.001 0.000 0.194 258 E C 2.196 178.490 176.600 -0.511 0.000 0.988 258 E CA 1.052 57.215 56.400 -0.395 0.000 0.811 258 E CB -0.103 29.509 29.700 -0.146 0.000 0.746 258 E HN 0.367 nan 8.360 nan 0.000 0.466 259 L N 0.454 121.556 121.223 -0.201 0.000 2.156 259 L HA -0.101 4.238 4.340 -0.001 0.000 0.208 259 L C 2.296 179.064 176.870 -0.170 0.000 1.095 259 L CA 0.639 55.399 54.840 -0.133 0.000 0.770 259 L CB -0.170 41.861 42.059 -0.046 0.000 0.914 259 L HN 0.157 nan 8.230 nan 0.000 0.439 260 I N -0.718 119.744 120.570 -0.181 0.000 2.614 260 I HA -0.262 3.907 4.170 -0.001 0.000 0.258 260 I C 2.253 178.227 176.117 -0.239 0.000 1.189 260 I CA 0.835 62.035 61.300 -0.167 0.000 1.462 260 I CB 0.040 37.958 38.000 -0.138 0.000 1.092 260 I HN 0.221 nan 8.210 nan 0.000 0.442 261 L N -0.550 120.447 121.223 -0.376 0.000 2.145 261 L HA -0.076 4.263 4.340 -0.001 0.000 0.201 261 L C 2.029 178.475 176.870 -0.707 0.000 1.075 261 L CA 1.513 55.977 54.840 -0.625 0.000 0.773 261 L CB -0.515 41.064 42.059 -0.800 0.000 0.936 261 L HN 0.096 nan 8.230 nan 0.000 0.451 262 Y N -0.822 119.156 120.300 -0.536 0.000 2.639 262 Y HA -0.006 4.543 4.550 -0.001 0.000 0.297 262 Y C 2.315 178.121 175.900 -0.157 0.000 1.151 262 Y CA 0.457 58.383 58.100 -0.290 0.000 1.335 262 Y CB -1.114 37.321 38.460 -0.042 0.000 0.994 262 Y HN 0.371 nan 8.280 nan 0.000 0.548 263 S N -1.950 113.722 115.700 -0.046 0.000 2.602 263 S HA 0.131 4.600 4.470 -0.001 0.000 0.240 263 S C 0.676 175.256 174.600 -0.034 0.000 0.992 263 S CA -0.292 57.884 58.200 -0.039 0.000 0.971 263 S CB -0.786 62.369 63.200 -0.075 0.000 0.855 263 S HN 0.252 nan 8.310 nan 0.000 0.481 264 T N -0.531 113.996 114.554 -0.044 0.000 2.816 264 T HA 0.422 4.771 4.350 -0.001 0.000 0.282 264 T C 0.773 175.494 174.700 0.035 0.000 0.993 264 T CA -0.560 61.530 62.100 -0.016 0.000 0.994 264 T CB 0.912 69.762 68.868 -0.030 0.000 1.025 264 T HN 0.160 nan 8.240 nan 0.000 0.529 265 E N 0.015 120.236 120.200 0.034 0.000 2.152 265 E HA -0.096 4.253 4.350 -0.001 0.000 0.192 265 E C 1.979 178.612 176.600 0.055 0.000 0.983 265 E CA 0.813 57.238 56.400 0.042 0.000 0.818 265 E CB 0.013 29.731 29.700 0.030 0.000 0.758 265 E HN 0.693 nan 8.360 nan 0.000 0.467 266 E N -0.034 120.212 120.200 0.077 0.000 2.031 266 E HA -0.161 4.188 4.350 -0.001 0.000 0.193 266 E C 1.535 178.160 176.600 0.041 0.000 0.994 266 E CA 1.138 57.587 56.400 0.082 0.000 0.800 266 E CB -0.199 29.588 29.700 0.145 0.000 0.752 266 E HN 0.172 nan 8.360 nan 0.000 0.447 267 F N -0.569 119.259 119.950 -0.203 0.000 2.053 267 F HA 0.141 4.668 4.527 -0.001 0.000 0.292 267 F C 1.988 177.582 175.800 -0.343 0.000 1.125 267 F CA 1.481 59.196 58.000 -0.475 0.000 1.193 267 F CB -0.743 37.899 39.000 -0.597 0.000 0.996 267 F HN 0.216 nan 8.300 nan 0.000 0.470 268 G N -0.893 107.946 108.800 0.065 0.000 2.176 268 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.252 268 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.252 268 G C 0.825 175.926 174.900 0.334 0.000 1.024 268 G CA 0.388 45.578 45.100 0.149 0.000 0.755 268 G HN 0.221 nan 8.290 nan 0.000 0.507 269 F N -0.848 119.173 119.950 0.119 0.000 2.335 269 F HA 0.429 4.955 4.527 -0.001 0.000 0.296 269 F C 1.553 177.379 175.800 0.042 0.000 1.091 269 F CA 0.405 58.452 58.000 0.078 0.000 1.399 269 F CB -0.046 38.938 39.000 -0.026 0.000 1.067 269 F HN 0.281 nan 8.300 nan 0.000 0.520 270 V N -0.503 119.463 119.914 0.087 0.000 3.087 270 V HA 0.397 4.516 4.120 -0.001 0.000 0.306 270 V C -1.280 174.708 176.094 -0.176 0.000 1.187 270 V CA -0.776 61.373 62.300 -0.252 0.000 0.999 270 V CB 2.429 33.677 31.823 -0.957 0.000 1.049 270 V HN 0.127 nan 8.190 nan 0.000 0.431 271 E N 3.891 123.984 120.200 -0.178 0.000 2.129 271 E HA 0.573 4.923 4.350 -0.001 0.000 0.268 271 E C -1.180 175.358 176.600 -0.104 0.000 0.900 271 E CA -0.575 55.770 56.400 -0.092 0.000 0.755 271 E CB 1.956 31.643 29.700 -0.022 0.000 1.117 271 E HN 0.622 nan 8.360 nan 0.000 0.410 272 V N 6.260 126.129 119.914 -0.074 0.000 2.655 272 V HA 0.104 4.223 4.120 -0.001 0.000 0.300 272 V C -1.976 174.140 176.094 0.036 0.000 1.044 272 V CA -1.165 61.116 62.300 -0.032 0.000 1.095 272 V CB 0.603 32.420 31.823 -0.011 0.000 0.952 272 V HN 0.790 nan 8.190 nan 0.000 0.485 273 P HA 0.043 nan 4.420 nan 0.000 0.266 273 P C 0.104 177.483 177.300 0.132 0.000 1.193 273 P CA 0.037 63.232 63.100 0.157 0.000 0.770 273 P CB 0.475 32.366 31.700 0.319 0.000 0.836 274 D N 2.048 122.485 120.400 0.062 0.000 2.144 274 D HA -0.148 4.492 4.640 -0.001 0.000 0.199 274 D C 1.948 178.219 176.300 -0.048 0.000 0.984 274 D CA 1.687 55.694 54.000 0.011 0.000 0.834 274 D CB -0.819 39.978 40.800 -0.006 0.000 0.955 274 D HN 0.351 nan 8.370 nan 0.000 0.465 275 A N -0.138 122.609 122.820 -0.123 0.000 2.032 275 A HA -0.157 4.162 4.320 -0.001 0.000 0.221 275 A C 1.382 178.580 177.584 -0.645 0.000 1.165 275 A CA 1.079 52.864 52.037 -0.420 0.000 0.645 275 A CB -0.690 17.939 19.000 -0.619 0.000 0.807 275 A HN 0.269 nan 8.150 nan 0.000 0.453 276 F N -1.663 118.281 119.950 -0.011 0.000 2.661 276 F HA 0.596 5.122 4.527 -0.001 0.000 0.306 276 F C 0.904 176.693 175.800 -0.017 0.000 1.094 276 F CA 0.207 58.199 58.000 -0.013 0.000 1.254 276 F CB 0.229 39.220 39.000 -0.014 0.000 1.040 276 F HN 0.255 nan 8.300 nan 0.000 0.562 277 A N -0.091 122.780 122.820 0.085 0.000 2.486 277 A HA 0.867 5.186 4.320 -0.001 0.000 0.289 277 A C -0.283 177.308 177.584 0.012 0.000 1.176 277 A CA -0.351 51.717 52.037 0.051 0.000 0.757 277 A CB 1.017 20.045 19.000 0.048 0.000 1.337 277 A HN 0.056 nan 8.150 nan 0.000 0.423 278 T N -2.494 112.064 114.554 0.007 0.000 2.903 278 T HA 0.823 5.172 4.350 -0.001 0.000 0.299 278 T C -0.045 174.654 174.700 -0.001 0.000 1.093 278 T CA 0.051 62.149 62.100 -0.002 0.000 1.002 278 T CB 1.649 70.514 68.868 -0.004 0.000 1.127 278 T HN 1.962 nan 8.240 nan 0.000 0.488 279 G N -0.209 108.589 108.800 -0.003 0.000 2.870 279 G HA2 0.660 4.619 3.960 -0.001 0.000 0.299 279 G HA3 0.660 4.619 3.960 -0.001 0.000 0.299 279 G C -1.403 173.495 174.900 -0.002 0.000 1.324 279 G CA -0.731 44.368 45.100 -0.001 0.000 0.808 279 G HN 1.018 nan 8.290 nan 0.000 0.535 280 S N -0.951 114.749 115.700 -0.001 0.000 2.733 280 S HA 0.449 4.919 4.470 -0.001 0.000 0.294 280 S C 1.500 176.100 174.600 0.000 0.000 1.149 280 S CA 0.496 58.695 58.200 -0.001 0.000 1.034 280 S CB 1.240 64.440 63.200 -0.000 0.000 1.015 280 S HN 1.580 nan 8.310 nan 0.000 0.486 281 S N 5.846 121.546 115.700 -0.000 0.000 2.408 281 S HA -0.241 4.228 4.470 -0.001 0.000 0.241 281 S C 1.663 176.264 174.600 0.002 0.000 1.080 281 S CA 1.863 60.063 58.200 0.000 0.000 1.109 281 S CB -1.154 62.046 63.200 -0.000 0.000 0.966 281 S HN 0.760 nan 8.310 nan 0.000 0.449 282 I N 2.357 122.928 120.570 0.002 0.000 2.107 282 I HA -0.133 4.036 4.170 -0.001 0.000 0.204 282 I C 2.202 178.321 176.117 0.004 0.000 1.033 282 I CA 1.358 62.659 61.300 0.003 0.000 1.346 282 I CB -1.097 36.905 38.000 0.002 0.000 1.111 282 I HN 0.552 nan 8.210 nan 0.000 0.395 283 M N 2.893 122.495 119.600 0.004 0.000 2.504 283 M HA 0.030 4.509 4.480 -0.001 0.000 0.378 283 M C -1.389 174.914 176.300 0.006 0.000 1.706 283 M CA -0.242 55.061 55.300 0.005 0.000 1.036 283 M CB -1.740 30.863 32.600 0.005 0.000 2.129 283 M HN 0.200 nan 8.290 nan 0.000 0.474 284 P HA -0.192 nan 4.420 nan 0.000 0.219 284 P C 0.563 177.870 177.300 0.010 0.000 1.150 284 P CA 1.727 64.833 63.100 0.009 0.000 0.814 284 P CB 0.336 32.042 31.700 0.010 0.000 0.787 285 Q N 1.314 121.120 119.800 0.011 0.000 1.775 285 Q HA 0.102 4.442 4.340 -0.001 0.000 0.303 285 Q C 1.250 177.255 176.000 0.009 0.000 0.954 285 Q CA 0.872 56.683 55.803 0.012 0.000 0.883 285 Q CB -2.122 26.625 28.738 0.015 0.000 0.916 285 Q HN 0.095 nan 8.270 nan 0.000 0.427 286 K N 1.488 121.892 120.400 0.007 0.000 2.447 286 K HA -0.202 4.118 4.320 -0.001 0.000 0.240 286 K C -0.164 176.436 176.600 0.001 0.000 1.205 286 K CA 1.503 57.792 56.287 0.003 0.000 1.202 286 K CB -2.086 30.415 32.500 0.002 0.000 0.801 286 K HN 0.407 nan 8.250 nan 0.000 0.531 287 K N 3.123 123.522 120.400 -0.001 0.000 2.527 287 K HA 0.161 4.480 4.320 -0.001 0.000 0.240 287 K C -0.910 175.687 176.600 -0.005 0.000 0.989 287 K CA -0.757 55.530 56.287 -0.001 0.000 0.985 287 K CB 0.447 32.947 32.500 0.001 0.000 1.221 287 K HN 0.702 nan 8.250 nan 0.000 0.458 288 N N 5.418 124.116 118.700 -0.003 0.000 2.438 288 N HA 0.037 4.776 4.740 -0.001 0.000 0.267 288 N C -2.322 173.188 175.510 0.000 0.000 1.222 288 N CA -1.040 52.006 53.050 -0.006 0.000 0.930 288 N CB 0.855 39.339 38.487 -0.004 0.000 1.083 288 N HN 0.391 nan 8.380 nan 0.000 0.476 289 P HA 0.184 nan 4.420 nan 0.000 0.231 289 P C -0.543 176.761 177.300 0.006 0.000 1.811 289 P CA -0.228 62.872 63.100 -0.000 0.000 1.051 289 P CB 0.129 31.812 31.700 -0.028 0.000 1.951 290 D N 1.406 121.819 120.400 0.022 0.000 2.097 290 D HA -0.141 4.499 4.640 -0.001 0.000 0.197 290 D C 1.991 178.310 176.300 0.032 0.000 0.984 290 D CA 0.960 54.972 54.000 0.021 0.000 0.826 290 D CB -0.124 40.689 40.800 0.021 0.000 0.973 290 D HN 0.150 nan 8.370 nan 0.000 0.460 291 I N 0.701 121.311 120.570 0.066 0.000 2.163 291 I HA -0.215 3.954 4.170 -0.001 0.000 0.243 291 I C 2.277 178.411 176.117 0.028 0.000 1.085 291 I CA 1.233 62.580 61.300 0.079 0.000 1.347 291 I CB -0.987 37.124 38.000 0.184 0.000 1.044 291 I HN 0.149 nan 8.210 nan 0.000 0.408 292 L N 0.113 121.339 121.223 0.005 0.000 2.056 292 L HA -0.193 4.146 4.340 -0.001 0.000 0.207 292 L C 2.503 179.358 176.870 -0.025 0.000 1.078 292 L CA 1.237 56.060 54.840 -0.027 0.000 0.749 292 L CB -0.587 41.444 42.059 -0.047 0.000 0.901 292 L HN 0.273 nan 8.230 nan 0.000 0.433 293 E N 0.312 120.500 120.200 -0.019 0.000 2.051 293 E HA -0.232 4.117 4.350 -0.001 0.000 0.192 293 E C 2.349 178.943 176.600 -0.011 0.000 0.991 293 E CA 1.171 57.558 56.400 -0.021 0.000 0.799 293 E CB -0.259 29.430 29.700 -0.018 0.000 0.748 293 E HN 0.434 nan 8.360 nan 0.000 0.449 294 L N 0.909 122.132 121.223 -0.000 0.000 2.042 294 L HA -0.223 4.116 4.340 -0.001 0.000 0.210 294 L C 2.544 179.418 176.870 0.006 0.000 1.076 294 L CA 0.992 55.836 54.840 0.006 0.000 0.749 294 L CB -0.415 41.654 42.059 0.015 0.000 0.893 294 L HN 0.193 nan 8.230 nan 0.000 0.432 295 I N -0.478 120.094 120.570 0.003 0.000 2.163 295 I HA -0.344 3.825 4.170 -0.001 0.000 0.243 295 I C 2.880 178.999 176.117 0.002 0.000 1.085 295 I CA 1.385 62.687 61.300 0.003 0.000 1.347 295 I CB -0.376 37.616 38.000 -0.013 0.000 1.044 295 I HN 0.308 nan 8.210 nan 0.000 0.408 296 R N 1.455 121.949 120.500 -0.010 0.000 2.070 296 R HA -0.185 4.154 4.340 -0.001 0.000 0.233 296 R C 2.299 178.594 176.300 -0.009 0.000 1.137 296 R CA 1.854 57.946 56.100 -0.013 0.000 0.945 296 R CB -0.330 29.955 30.300 -0.026 0.000 0.845 296 R HN 0.329 nan 8.270 nan 0.000 0.430 297 A N 0.873 123.688 122.820 -0.008 0.000 2.121 297 A HA -0.088 4.231 4.320 -0.001 0.000 0.218 297 A C 1.744 179.327 177.584 -0.002 0.000 1.154 297 A CA 1.166 53.199 52.037 -0.007 0.000 0.679 297 A CB -0.205 18.791 19.000 -0.006 0.000 0.795 297 A HN 0.364 nan 8.150 nan 0.000 0.458 298 K N -0.281 120.121 120.400 0.005 0.000 2.486 298 K HA 0.157 4.477 4.320 -0.001 0.000 0.194 298 K C 1.911 178.516 176.600 0.008 0.000 1.033 298 K CA 0.511 56.804 56.287 0.011 0.000 1.004 298 K CB -0.106 32.407 32.500 0.022 0.000 0.798 298 K HN 0.448 nan 8.250 nan 0.000 0.495 299 A N 1.186 124.007 122.820 0.001 0.000 2.019 299 A HA -0.072 4.248 4.320 -0.001 0.000 0.219 299 A C 2.259 179.831 177.584 -0.020 0.000 1.164 299 A CA 1.685 53.714 52.037 -0.012 0.000 0.644 299 A CB -0.806 18.184 19.000 -0.018 0.000 0.805 299 A HN 0.400 nan 8.150 nan 0.000 0.449 300 G N 0.090 108.883 108.800 -0.013 0.000 2.446 300 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.217 300 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.217 300 G C 1.735 176.630 174.900 -0.008 0.000 1.168 300 G CA 0.964 46.057 45.100 -0.011 0.000 0.771 300 G HN 0.605 nan 8.290 nan 0.000 0.551 301 R N -0.080 120.418 120.500 -0.005 0.000 2.091 301 R HA -0.046 4.293 4.340 -0.001 0.000 0.238 301 R C 2.596 178.895 176.300 -0.002 0.000 1.136 301 R CA 1.352 57.450 56.100 -0.004 0.000 0.959 301 R CB -0.698 29.602 30.300 -0.000 0.000 0.856 301 R HN 0.316 nan 8.270 nan 0.000 0.437 302 V N 1.438 121.348 119.914 -0.007 0.000 2.427 302 V HA -0.195 3.925 4.120 -0.001 0.000 0.248 302 V C 2.293 178.387 176.094 0.001 0.000 1.051 302 V CA 1.438 63.730 62.300 -0.013 0.000 1.048 302 V CB -0.573 31.221 31.823 -0.049 0.000 0.666 302 V HN 0.312 nan 8.190 nan 0.000 0.456 303 L N 0.601 121.818 121.223 -0.010 0.000 1.976 303 L HA -0.093 4.246 4.340 -0.001 0.000 0.209 303 L C 2.568 179.477 176.870 0.065 0.000 1.071 303 L CA 2.149 56.994 54.840 0.007 0.000 0.746 303 L CB -1.065 40.985 42.059 -0.015 0.000 0.890 303 L HN 0.438 nan 8.230 nan 0.000 0.432 304 G N -0.734 108.084 108.800 0.030 0.000 2.505 304 G HA2 -0.365 3.595 3.960 -0.001 0.000 0.220 304 G HA3 -0.365 3.595 3.960 -0.001 0.000 0.220 304 G C 1.645 176.557 174.900 0.021 0.000 1.145 304 G CA 0.993 46.105 45.100 0.022 0.000 0.761 304 G HN 0.591 nan 8.290 nan 0.000 0.571 305 A N 0.264 123.097 122.820 0.023 0.000 1.908 305 A HA 0.009 4.328 4.320 -0.001 0.000 0.218 305 A C 2.202 179.799 177.584 0.023 0.000 1.181 305 A CA 1.712 53.752 52.037 0.005 0.000 0.627 305 A CB -0.573 18.431 19.000 0.006 0.000 0.818 305 A HN 0.428 nan 8.150 nan 0.000 0.445 306 F N 0.484 120.391 119.950 -0.073 0.000 2.134 306 F HA -0.137 4.389 4.527 -0.001 0.000 0.299 306 F C 2.263 178.021 175.800 -0.069 0.000 1.097 306 F CA 1.870 59.825 58.000 -0.075 0.000 1.264 306 F CB -0.209 38.745 39.000 -0.076 0.000 1.001 306 F HN 0.034 nan 8.300 nan 0.000 0.479 307 V N 0.231 120.180 119.914 0.058 0.000 2.307 307 V HA -0.216 3.903 4.120 -0.001 0.000 0.245 307 V C 2.782 178.807 176.094 -0.116 0.000 1.045 307 V CA 1.919 64.199 62.300 -0.033 0.000 1.024 307 V CB -1.635 30.205 31.823 0.029 0.000 0.651 307 V HN 0.520 nan 8.190 nan 0.000 0.449 308 G N -0.479 108.270 108.800 -0.085 0.000 2.491 308 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.218 308 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.218 308 G C 1.672 176.485 174.900 -0.145 0.000 1.180 308 G CA 1.305 46.345 45.100 -0.100 0.000 0.774 308 G HN 0.434 nan 8.290 nan 0.000 0.562 309 L N 0.406 121.516 121.223 -0.188 0.000 2.056 309 L HA -0.071 4.268 4.340 -0.001 0.000 0.207 309 L C 3.199 179.908 176.870 -0.268 0.000 1.078 309 L CA 1.370 56.077 54.840 -0.223 0.000 0.749 309 L CB -0.234 41.680 42.059 -0.241 0.000 0.901 309 L HN 0.239 nan 8.230 nan 0.000 0.433 310 S N 0.015 115.489 115.700 -0.376 0.000 2.365 310 S HA -0.249 4.221 4.470 -0.001 0.000 0.225 310 S C 2.083 176.555 174.600 -0.214 0.000 1.039 310 S CA 1.355 59.336 58.200 -0.365 0.000 1.033 310 S CB -0.437 62.487 63.200 -0.460 0.000 0.887 310 S HN 0.610 nan 8.310 nan 0.000 0.447 311 A N 1.103 123.820 122.820 -0.172 0.000 1.908 311 A HA -0.076 4.243 4.320 -0.001 0.000 0.218 311 A C 2.351 179.871 177.584 -0.106 0.000 1.181 311 A CA 1.667 53.635 52.037 -0.114 0.000 0.627 311 A CB -0.951 17.996 19.000 -0.089 0.000 0.818 311 A HN 0.355 nan 8.150 nan 0.000 0.445 312 V N 0.198 120.040 119.914 -0.121 0.000 2.343 312 V HA -0.233 3.886 4.120 -0.001 0.000 0.247 312 V C 2.596 178.623 176.094 -0.111 0.000 1.051 312 V CA 2.068 64.302 62.300 -0.110 0.000 1.036 312 V CB -0.769 30.982 31.823 -0.121 0.000 0.654 312 V HN 0.641 nan 8.190 nan 0.000 0.451 313 V N -1.708 118.128 119.914 -0.129 0.000 3.406 313 V HA 0.145 4.264 4.120 -0.001 0.000 0.263 313 V C 1.199 177.236 176.094 -0.095 0.000 1.172 313 V CA 0.351 62.581 62.300 -0.117 0.000 1.140 313 V CB -0.640 31.102 31.823 -0.135 0.000 0.784 313 V HN 0.475 nan 8.190 nan 0.000 0.467 314 K N 1.811 122.155 120.400 -0.093 0.000 2.447 314 K HA 0.339 4.658 4.320 -0.001 0.000 0.281 314 K C 1.127 177.693 176.600 -0.056 0.000 1.031 314 K CA 0.881 57.125 56.287 -0.071 0.000 1.019 314 K CB -0.011 32.448 32.500 -0.068 0.000 0.918 314 K HN 0.817 nan 8.250 nan 0.000 0.476 315 G N 3.846 112.618 108.800 -0.046 0.000 2.225 315 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.267 315 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.267 315 G C -0.083 174.794 174.900 -0.038 0.000 1.024 315 G CA 0.030 45.108 45.100 -0.036 0.000 0.784 315 G HN 0.580 nan 8.290 nan 0.000 0.507 316 L N 0.970 122.165 121.223 -0.047 0.000 2.283 316 L HA 0.279 4.618 4.340 -0.001 0.000 0.287 316 L C -1.143 175.702 176.870 -0.041 0.000 1.073 316 L CA -1.534 53.275 54.840 -0.052 0.000 0.822 316 L CB 0.739 42.755 42.059 -0.072 0.000 1.186 316 L HN -0.013 nan 8.230 nan 0.000 0.436 317 P HA -0.046 nan 4.420 nan 0.000 0.267 317 P C -0.226 177.061 177.300 -0.021 0.000 1.195 317 P CA -0.415 62.672 63.100 -0.021 0.000 0.773 317 P CB 0.468 32.159 31.700 -0.016 0.000 0.837 318 L N 1.623 122.841 121.223 -0.008 0.000 2.476 318 L HA 0.408 4.747 4.340 -0.001 0.000 0.264 318 L C 0.745 177.622 176.870 0.012 0.000 1.224 318 L CA 1.360 56.200 54.840 0.000 0.000 0.821 318 L CB -0.665 41.398 42.059 0.007 0.000 1.101 318 L HN 0.849 nan 8.230 nan 0.000 0.488 319 A N 0.968 123.804 122.820 0.027 0.000 5.816 319 A HA -0.215 4.104 4.320 -0.001 0.000 0.220 319 A C -0.906 176.727 177.584 0.082 0.000 2.436 319 A CA 0.379 52.454 52.037 0.063 0.000 0.699 319 A CB -1.818 17.223 19.000 0.068 0.000 0.823 319 A HN 1.039 nan 8.150 nan 0.000 0.327 320 Y N 1.916 122.226 120.300 0.016 0.000 2.310 320 Y HA 0.632 5.181 4.550 -0.001 0.000 0.326 320 Y C 0.266 176.178 175.900 0.020 0.000 1.151 320 Y CA 0.230 58.342 58.100 0.021 0.000 1.195 320 Y CB 1.048 39.522 38.460 0.024 0.000 1.210 320 Y HN 0.844 nan 8.280 nan 0.000 0.483 321 N N 3.139 121.323 118.700 -0.861 0.000 2.284 321 N HA 0.223 4.963 4.740 -0.001 0.000 0.289 321 N C -0.220 174.799 175.510 -0.819 0.000 1.179 321 N CA -0.897 51.841 53.050 -0.520 0.000 0.774 321 N CB 1.794 40.119 38.487 -0.270 0.000 1.548 321 N HN 0.482 nan 8.380 nan 0.000 0.473 322 K N 0.559 120.789 120.400 -0.283 0.000 2.147 322 K HA -0.081 4.238 4.320 -0.001 0.000 0.205 322 K C 0.184 176.702 176.600 -0.137 0.000 1.049 322 K CA 1.580 57.809 56.287 -0.096 0.000 0.936 322 K CB -0.182 32.348 32.500 0.050 0.000 0.722 322 K HN 0.554 nan 8.250 nan 0.000 0.446 323 D N -0.031 120.270 120.400 -0.164 0.000 2.190 323 D HA -0.179 4.460 4.640 -0.001 0.000 0.200 323 D C 1.357 177.577 176.300 -0.134 0.000 0.992 323 D CA 0.793 54.718 54.000 -0.124 0.000 0.854 323 D CB -0.181 40.548 40.800 -0.118 0.000 0.936 323 D HN 0.083 nan 8.370 nan 0.000 0.462 324 L N 0.494 121.587 121.223 -0.215 0.000 2.349 324 L HA -0.153 4.186 4.340 -0.001 0.000 0.220 324 L C 2.174 179.035 176.870 -0.014 0.000 1.130 324 L CA 1.298 56.053 54.840 -0.142 0.000 0.791 324 L CB -0.795 41.136 42.059 -0.213 0.000 0.918 324 L HN 0.126 nan 8.230 nan 0.000 0.444 325 Q N -0.549 119.266 119.800 0.026 0.000 2.297 325 Q HA -0.136 4.204 4.340 -0.001 0.000 0.204 325 Q C 0.985 177.025 176.000 0.067 0.000 0.962 325 Q CA 0.605 56.479 55.803 0.118 0.000 0.879 325 Q CB 0.226 29.057 28.738 0.156 0.000 0.947 325 Q HN 0.398 nan 8.270 nan 0.000 0.462 326 E N 1.289 121.473 120.200 -0.027 0.000 2.335 326 E HA -0.084 4.265 4.350 -0.001 0.000 0.191 326 E C 0.207 176.737 176.600 -0.117 0.000 1.150 326 E CA 0.399 56.740 56.400 -0.098 0.000 1.001 326 E CB 0.246 29.880 29.700 -0.110 0.000 1.127 326 E HN 0.547 nan 8.360 nan 0.000 0.462 327 D N -0.929 119.430 120.400 -0.068 0.000 2.388 327 D HA -0.042 4.598 4.640 -0.001 0.000 0.208 327 D C 1.366 177.631 176.300 -0.059 0.000 1.035 327 D CA 0.236 54.191 54.000 -0.075 0.000 0.875 327 D CB 0.047 40.816 40.800 -0.050 0.000 0.984 327 D HN 0.010 nan 8.370 nan 0.000 0.508 328 K N 0.349 120.726 120.400 -0.040 0.000 2.211 328 K HA 0.065 4.384 4.320 -0.001 0.000 0.201 328 K C 1.987 178.480 176.600 -0.177 0.000 1.052 328 K CA 0.486 56.761 56.287 -0.019 0.000 0.973 328 K CB 0.394 33.010 32.500 0.193 0.000 0.766 328 K HN 0.122 nan 8.250 nan 0.000 0.466 329 E N 0.860 120.782 120.200 -0.463 0.000 2.028 329 E HA -0.136 4.213 4.350 -0.001 0.000 0.191 329 E C -1.003 175.460 176.600 -0.228 0.000 0.988 329 E CA 1.164 57.270 56.400 -0.491 0.000 0.799 329 E CB -0.719 28.570 29.700 -0.685 0.000 0.755 329 E HN 0.197 nan 8.360 nan 0.000 0.447 330 P HA -0.195 nan 4.420 nan 0.000 0.215 330 P C 1.618 178.888 177.300 -0.050 0.000 1.157 330 P CA 1.292 64.330 63.100 -0.104 0.000 0.868 330 P CB -0.052 31.588 31.700 -0.101 0.000 0.788 331 L N -1.289 119.915 121.223 -0.032 0.000 1.970 331 L HA -0.209 4.131 4.340 -0.001 0.000 0.212 331 L C 2.731 179.640 176.870 0.064 0.000 1.071 331 L CA 1.263 56.120 54.840 0.030 0.000 0.751 331 L CB -1.198 40.901 42.059 0.065 0.000 0.889 331 L HN -0.079 nan 8.230 nan 0.000 0.432 332 L N 0.017 121.274 121.223 0.055 0.000 2.051 332 L HA -0.317 4.022 4.340 -0.001 0.000 0.214 332 L C 2.178 179.084 176.870 0.060 0.000 1.076 332 L CA 2.141 57.029 54.840 0.081 0.000 0.758 332 L CB -0.984 41.092 42.059 0.028 0.000 0.890 332 L HN 0.358 nan 8.230 nan 0.000 0.433 333 D N -1.453 118.956 120.400 0.015 0.000 2.103 333 D HA -0.112 4.527 4.640 -0.001 0.000 0.199 333 D C 2.154 178.476 176.300 0.036 0.000 0.978 333 D CA 1.180 55.189 54.000 0.015 0.000 0.829 333 D CB 0.100 40.891 40.800 -0.015 0.000 0.981 333 D HN 0.269 nan 8.370 nan 0.000 0.464 334 A N 0.354 123.193 122.820 0.032 0.000 1.877 334 A HA -0.117 4.202 4.320 -0.001 0.000 0.216 334 A C 2.393 180.024 177.584 0.079 0.000 1.186 334 A CA 1.136 53.196 52.037 0.039 0.000 0.620 334 A CB -1.016 17.995 19.000 0.017 0.000 0.822 334 A HN 0.365 nan 8.150 nan 0.000 0.443 335 L N -0.784 120.494 121.223 0.092 0.000 2.013 335 L HA -0.277 4.063 4.340 -0.001 0.000 0.212 335 L C 3.139 180.083 176.870 0.122 0.000 1.073 335 L CA 1.345 56.258 54.840 0.122 0.000 0.753 335 L CB -0.617 41.522 42.059 0.133 0.000 0.890 335 L HN 0.479 nan 8.230 nan 0.000 0.432 336 A N -0.782 122.098 122.820 0.100 0.000 1.902 336 A HA -0.204 4.115 4.320 -0.001 0.000 0.217 336 A C 2.333 179.963 177.584 0.077 0.000 1.181 336 A CA 2.356 54.441 52.037 0.081 0.000 0.623 336 A CB -0.850 18.191 19.000 0.068 0.000 0.818 336 A HN 0.407 nan 8.150 nan 0.000 0.443 337 T N -1.744 112.861 114.554 0.085 0.000 2.737 337 T HA -0.125 4.224 4.350 -0.001 0.000 0.265 337 T C 1.846 176.626 174.700 0.133 0.000 1.038 337 T CA 1.613 63.766 62.100 0.087 0.000 1.144 337 T CB -0.399 68.513 68.868 0.073 0.000 0.866 337 T HN 0.510 nan 8.240 nan 0.000 0.434 338 Y N 2.317 122.618 120.300 0.002 0.000 2.114 338 Y HA -0.060 4.489 4.550 -0.001 0.000 0.284 338 Y C 2.689 178.587 175.900 -0.002 0.000 1.143 338 Y CA 1.241 59.339 58.100 -0.004 0.000 1.135 338 Y CB -0.466 37.990 38.460 -0.006 0.000 0.980 338 Y HN -0.018 nan 8.280 nan 0.000 0.499 339 R N 0.281 120.798 120.500 0.029 0.000 2.097 339 R HA -0.216 4.123 4.340 -0.001 0.000 0.236 339 R C 1.766 178.024 176.300 -0.070 0.000 1.135 339 R CA 2.369 58.432 56.100 -0.062 0.000 0.934 339 R CB -0.605 29.699 30.300 0.006 0.000 0.846 339 R HN 0.324 nan 8.270 nan 0.000 0.431 340 D N -0.123 120.268 120.400 -0.014 0.000 2.182 340 D HA -0.106 4.533 4.640 -0.001 0.000 0.201 340 D C 1.955 178.239 176.300 -0.027 0.000 0.986 340 D CA 1.394 55.391 54.000 -0.006 0.000 0.847 340 D CB -0.180 40.633 40.800 0.021 0.000 0.942 340 D HN 0.214 nan 8.370 nan 0.000 0.467 341 S N -0.053 115.620 115.700 -0.045 0.000 2.387 341 S HA 0.018 4.488 4.470 -0.001 0.000 0.226 341 S C 2.145 176.665 174.600 -0.134 0.000 1.026 341 S CA 0.235 58.398 58.200 -0.063 0.000 0.972 341 S CB 0.014 63.203 63.200 -0.020 0.000 0.814 341 S HN 0.234 nan 8.310 nan 0.000 0.477 342 L N 0.809 121.895 121.223 -0.229 0.000 2.093 342 L HA -0.064 4.275 4.340 -0.001 0.000 0.208 342 L C 2.696 179.478 176.870 -0.147 0.000 1.085 342 L CA 1.114 55.802 54.840 -0.253 0.000 0.755 342 L CB -0.343 41.493 42.059 -0.372 0.000 0.904 342 L HN 0.210 nan 8.230 nan 0.000 0.435 343 R N -0.059 120.378 120.500 -0.105 0.000 2.055 343 R HA -0.085 4.254 4.340 -0.001 0.000 0.228 343 R C 2.328 178.603 176.300 -0.042 0.000 1.143 343 R CA 1.150 57.217 56.100 -0.055 0.000 0.945 343 R CB -0.431 29.855 30.300 -0.023 0.000 0.841 343 R HN 0.243 nan 8.270 nan 0.000 0.429 344 L N 0.828 122.032 121.223 -0.031 0.000 2.043 344 L HA -0.241 4.099 4.340 -0.001 0.000 0.212 344 L C 2.450 179.189 176.870 -0.219 0.000 1.075 344 L CA 1.369 56.186 54.840 -0.040 0.000 0.752 344 L CB -0.493 41.573 42.059 0.013 0.000 0.891 344 L HN 0.251 nan 8.230 nan 0.000 0.432 345 L N -0.542 120.572 121.223 -0.181 0.000 2.141 345 L HA -0.142 4.198 4.340 -0.001 0.000 0.209 345 L C 2.700 179.468 176.870 -0.170 0.000 1.094 345 L CA 0.933 55.652 54.840 -0.202 0.000 0.763 345 L CB -0.553 41.422 42.059 -0.141 0.000 0.908 345 L HN 0.235 nan 8.230 nan 0.000 0.437 346 A N -0.535 122.213 122.820 -0.120 0.000 2.168 346 A HA 0.069 4.388 4.320 -0.001 0.000 0.215 346 A C 2.302 179.844 177.584 -0.070 0.000 1.152 346 A CA 1.331 53.320 52.037 -0.079 0.000 0.716 346 A CB -0.326 18.639 19.000 -0.058 0.000 0.794 346 A HN 0.398 nan 8.150 nan 0.000 0.465 347 A N -0.772 121.987 122.820 -0.103 0.000 1.973 347 A HA 0.302 4.621 4.320 -0.001 0.000 0.210 347 A C 2.002 179.493 177.584 -0.155 0.000 1.200 347 A CA 0.835 52.859 52.037 -0.022 0.000 0.707 347 A CB -0.374 18.718 19.000 0.153 0.000 0.862 347 A HN 0.502 nan 8.150 nan 0.000 0.461 348 L N -0.329 120.536 121.223 -0.597 0.000 2.068 348 L HA 0.012 4.351 4.340 -0.001 0.000 0.204 348 L C 2.264 178.972 176.870 -0.270 0.000 1.076 348 L CA 1.014 55.358 54.840 -0.827 0.000 0.753 348 L CB -0.282 41.054 42.059 -1.205 0.000 0.910 348 L HN 0.355 nan 8.230 nan 0.000 0.439 349 L N 0.284 121.410 121.223 -0.161 0.000 2.013 349 L HA -0.192 4.147 4.340 -0.001 0.000 0.212 349 L C -0.215 176.692 176.870 0.061 0.000 1.073 349 L CA 1.577 56.421 54.840 0.006 0.000 0.753 349 L CB -1.993 40.097 42.059 0.052 0.000 0.890 349 L HN 0.297 nan 8.230 nan 0.000 0.432 350 P HA -0.132 nan 4.420 nan 0.000 0.219 350 P C 1.190 178.541 177.300 0.084 0.000 1.146 350 P CA 1.491 64.619 63.100 0.047 0.000 0.808 350 P CB -0.130 31.584 31.700 0.022 0.000 0.779 351 G N -1.263 107.583 108.800 0.076 0.000 3.181 351 G HA2 0.114 4.073 3.960 -0.001 0.000 0.219 351 G HA3 0.114 4.073 3.960 -0.001 0.000 0.219 351 G C 0.229 175.173 174.900 0.074 0.000 1.182 351 G CA -0.209 44.947 45.100 0.092 0.000 0.791 351 G HN 0.200 nan 8.290 nan 0.000 0.537 352 L N 0.505 121.769 121.223 0.069 0.000 2.380 352 L HA 0.286 4.626 4.340 -0.001 0.000 0.273 352 L C 0.190 177.057 176.870 -0.004 0.000 1.138 352 L CA -0.033 54.775 54.840 -0.054 0.000 0.832 352 L CB 1.131 43.087 42.059 -0.172 0.000 1.124 352 L HN -0.026 nan 8.230 nan 0.000 0.454 353 K N 3.483 123.827 120.400 -0.093 0.000 2.404 353 K HA 0.242 4.561 4.320 -0.001 0.000 0.257 353 K C -1.414 175.186 176.600 0.000 0.000 1.026 353 K CA -0.436 55.880 56.287 0.049 0.000 0.951 353 K CB 0.773 33.309 32.500 0.060 0.000 1.203 353 K HN 0.315 nan 8.250 nan 0.000 0.446 354 W N 2.526 123.902 121.300 0.127 0.000 2.315 354 W HA 0.251 4.911 4.660 -0.001 0.000 0.316 354 W C 0.546 177.219 176.519 0.257 0.000 1.211 354 W CA -0.834 56.584 57.345 0.120 0.000 1.201 354 W CB 0.667 30.090 29.460 -0.061 0.000 1.184 354 W HN 0.105 nan 8.180 nan 0.000 0.544 355 R N 3.771 124.517 120.500 0.410 0.000 2.593 355 R HA 0.142 4.481 4.340 -0.001 0.000 0.282 355 R C 1.474 177.927 176.300 0.254 0.000 1.300 355 R CA -0.456 55.822 56.100 0.298 0.000 1.221 355 R CB -0.089 30.344 30.300 0.221 0.000 1.157 355 R HN 0.686 nan 8.270 nan 0.000 0.555 356 R N 1.982 122.634 120.500 0.252 0.000 2.143 356 R HA -0.282 4.057 4.340 -0.001 0.000 0.239 356 R C 0.772 177.052 176.300 -0.035 0.000 1.126 356 R CA 2.512 58.557 56.100 -0.091 0.000 0.927 356 R CB 0.215 30.217 30.300 -0.497 0.000 0.860 356 R HN 0.424 nan 8.270 nan 0.000 0.433 357 E N -0.123 120.064 120.200 -0.022 0.000 2.049 357 E HA -0.260 4.090 4.350 -0.001 0.000 0.198 357 E C 1.987 178.627 176.600 0.066 0.000 1.007 357 E CA 1.806 58.208 56.400 0.004 0.000 0.809 357 E CB -0.364 29.324 29.700 -0.020 0.000 0.749 357 E HN 0.289 nan 8.360 nan 0.000 0.450 358 R N 0.607 121.153 120.500 0.076 0.000 2.091 358 R HA -0.062 4.278 4.340 -0.001 0.000 0.238 358 R C 2.097 178.418 176.300 0.036 0.000 1.136 358 R CA 1.750 57.917 56.100 0.113 0.000 0.959 358 R CB -0.356 30.061 30.300 0.194 0.000 0.856 358 R HN 0.245 nan 8.270 nan 0.000 0.437 359 M N -1.322 118.192 119.600 -0.143 0.000 2.175 359 M HA -0.157 4.322 4.480 -0.001 0.000 0.264 359 M C 1.972 178.089 176.300 -0.305 0.000 1.063 359 M CA 1.498 56.459 55.300 -0.566 0.000 1.119 359 M CB -0.474 31.812 32.600 -0.524 0.000 1.377 359 M HN 0.318 nan 8.290 nan 0.000 0.415 360 W N 1.725 122.872 121.300 -0.256 0.000 2.388 360 W HA -0.116 4.543 4.660 -0.001 0.000 0.294 360 W C 2.063 178.490 176.519 -0.152 0.000 1.212 360 W CA 1.503 58.726 57.345 -0.202 0.000 1.271 360 W CB -0.290 29.061 29.460 -0.182 0.000 1.126 360 W HN 0.187 nan 8.180 nan 0.000 0.535 361 R N 0.101 120.693 120.500 0.153 0.000 2.073 361 R HA -0.082 4.257 4.340 -0.001 0.000 0.229 361 R C 2.504 178.801 176.300 -0.005 0.000 1.120 361 R CA 1.483 57.641 56.100 0.097 0.000 0.967 361 R CB -0.993 29.359 30.300 0.086 0.000 0.862 361 R HN 0.060 nan 8.270 nan 0.000 0.436 362 A N 1.751 124.566 122.820 -0.007 0.000 1.892 362 A HA -0.202 4.117 4.320 -0.001 0.000 0.218 362 A C 2.441 179.964 177.584 -0.102 0.000 1.188 362 A CA 1.971 54.014 52.037 0.010 0.000 0.631 362 A CB -0.768 18.346 19.000 0.190 0.000 0.822 362 A HN 0.409 nan 8.150 nan 0.000 0.447 363 A N -0.549 122.136 122.820 -0.225 0.000 1.908 363 A HA -0.158 4.161 4.320 -0.001 0.000 0.218 363 A C 1.603 179.027 177.584 -0.267 0.000 1.181 363 A CA 1.595 53.447 52.037 -0.309 0.000 0.627 363 A CB -0.354 18.357 19.000 -0.482 0.000 0.818 363 A HN 0.619 nan 8.150 nan 0.000 0.445 364 E N 0.492 120.544 120.200 -0.247 0.000 2.201 364 E HA 0.347 4.697 4.350 -0.001 0.000 0.272 364 E C 0.286 176.814 176.600 -0.120 0.000 1.228 364 E CA -0.260 56.033 56.400 -0.177 0.000 1.305 364 E CB -0.412 29.205 29.700 -0.140 0.000 1.381 364 E HN 0.343 nan 8.360 nan 0.000 0.475 365 G N 1.611 110.347 108.800 -0.108 0.000 3.197 365 G HA2 0.282 4.241 3.960 -0.001 0.000 0.257 365 G HA3 0.282 4.241 3.960 -0.001 0.000 0.257 365 G C 1.022 175.855 174.900 -0.112 0.000 0.835 365 G CA 0.119 45.172 45.100 -0.079 0.000 2.001 365 G HN 0.704 nan 8.290 nan 0.000 0.625 366 G N 0.687 109.352 108.800 -0.225 0.000 3.163 366 G HA2 -0.410 3.549 3.960 -0.001 0.000 0.227 366 G HA3 -0.410 3.549 3.960 -0.001 0.000 0.227 366 G C 0.772 175.230 174.900 -0.738 0.000 1.300 366 G CA 1.206 45.983 45.100 -0.539 0.000 0.867 366 G HN 0.800 nan 8.290 nan 0.000 0.533 367 Y N 0.281 120.548 120.300 -0.054 0.000 2.779 367 Y HA 0.404 4.953 4.550 -0.001 0.000 0.251 367 Y C 2.207 178.066 175.900 -0.068 0.000 1.145 367 Y CA 0.499 58.561 58.100 -0.064 0.000 1.201 367 Y CB -0.065 38.359 38.460 -0.059 0.000 1.281 367 Y HN 0.174 nan 8.280 nan 0.000 0.563 368 T N 1.206 115.777 114.554 0.029 0.000 2.803 368 T HA -0.102 4.247 4.350 -0.001 0.000 0.269 368 T C 1.645 176.330 174.700 -0.025 0.000 1.052 368 T CA 1.208 63.302 62.100 -0.010 0.000 1.136 368 T CB -0.068 68.759 68.868 -0.069 0.000 0.864 368 T HN 0.186 nan 8.240 nan 0.000 0.467 369 L N 0.879 122.080 121.223 -0.037 0.000 2.610 369 L HA 0.273 4.613 4.340 -0.001 0.000 0.232 369 L C 2.669 179.526 176.870 -0.023 0.000 1.149 369 L CA 0.467 55.282 54.840 -0.042 0.000 0.872 369 L CB -1.944 40.080 42.059 -0.060 0.000 0.992 369 L HN 0.225 nan 8.230 nan 0.000 0.447 370 A N -0.324 122.494 122.820 -0.004 0.000 2.070 370 A HA -0.212 4.107 4.320 -0.001 0.000 0.220 370 A C 2.458 180.027 177.584 -0.025 0.000 1.159 370 A CA 1.998 54.026 52.037 -0.016 0.000 0.656 370 A CB -0.606 18.390 19.000 -0.007 0.000 0.800 370 A HN 0.383 nan 8.150 nan 0.000 0.453 371 T N -0.945 113.599 114.554 -0.017 0.000 2.995 371 T HA -0.085 4.264 4.350 -0.001 0.000 0.269 371 T C 1.662 176.378 174.700 0.026 0.000 1.091 371 T CA 1.504 63.601 62.100 -0.005 0.000 1.128 371 T CB -0.317 68.558 68.868 0.012 0.000 0.891 371 T HN 0.501 nan 8.240 nan 0.000 0.492 372 E N 0.998 121.212 120.200 0.024 0.000 2.107 372 E HA 0.026 4.375 4.350 -0.001 0.000 0.191 372 E C 2.256 178.922 176.600 0.111 0.000 0.982 372 E CA 0.657 57.087 56.400 0.051 0.000 0.809 372 E CB -0.325 29.389 29.700 0.023 0.000 0.756 372 E HN 0.523 nan 8.360 nan 0.000 0.459 373 L N 0.638 121.922 121.223 0.101 0.000 2.093 373 L HA -0.130 4.209 4.340 -0.001 0.000 0.208 373 L C 2.578 179.607 176.870 0.266 0.000 1.085 373 L CA 1.107 56.081 54.840 0.223 0.000 0.755 373 L CB -0.586 41.572 42.059 0.166 0.000 0.904 373 L HN 0.041 nan 8.230 nan 0.000 0.435 374 A N 0.345 123.248 122.820 0.139 0.000 1.865 374 A HA -0.251 4.068 4.320 -0.001 0.000 0.217 374 A C 1.920 179.572 177.584 0.113 0.000 1.191 374 A CA 2.154 54.251 52.037 0.100 0.000 0.623 374 A CB -0.666 18.367 19.000 0.056 0.000 0.826 374 A HN 0.372 nan 8.150 nan 0.000 0.444 375 D N -1.697 118.770 120.400 0.112 0.000 2.149 375 D HA -0.178 4.462 4.640 -0.001 0.000 0.198 375 D C 1.613 177.963 176.300 0.083 0.000 0.990 375 D CA 1.582 55.631 54.000 0.082 0.000 0.839 375 D CB -0.528 40.311 40.800 0.065 0.000 0.948 375 D HN 0.661 nan 8.370 nan 0.000 0.460 376 Y N 1.448 121.758 120.300 0.017 0.000 2.070 376 Y HA -0.214 4.336 4.550 -0.000 0.000 0.280 376 Y C 2.186 178.040 175.900 -0.078 0.000 1.148 376 Y CA 1.534 59.637 58.100 0.006 0.000 1.125 376 Y CB -0.405 38.108 38.460 0.089 0.000 0.975 376 Y HN -0.094 nan 8.280 nan 0.000 0.492 377 L N -0.049 121.182 121.223 0.013 0.000 1.989 377 L HA -0.278 4.062 4.340 -0.001 0.000 0.211 377 L C 2.860 179.634 176.870 -0.161 0.000 1.071 377 L CA 1.274 55.985 54.840 -0.215 0.000 0.749 377 L CB -1.351 40.522 42.059 -0.309 0.000 0.890 377 L HN 0.387 nan 8.230 nan 0.000 0.431 378 A N 0.026 122.814 122.820 -0.053 0.000 1.884 378 A HA -0.325 3.995 4.320 -0.001 0.000 0.219 378 A C 2.283 179.838 177.584 -0.049 0.000 1.197 378 A CA 2.335 54.372 52.037 0.001 0.000 0.637 378 A CB -0.751 18.293 19.000 0.073 0.000 0.827 378 A HN 0.518 nan 8.150 nan 0.000 0.450 379 E N -0.709 119.436 120.200 -0.091 0.000 2.153 379 E HA -0.201 4.148 4.350 -0.001 0.000 0.194 379 E C 1.794 178.302 176.600 -0.152 0.000 0.988 379 E CA 1.103 57.435 56.400 -0.112 0.000 0.811 379 E CB 0.010 29.635 29.700 -0.126 0.000 0.746 379 E HN 0.413 nan 8.360 nan 0.000 0.466 380 K N -1.150 119.109 120.400 -0.234 0.000 2.057 380 K HA -0.042 4.277 4.320 -0.001 0.000 0.206 380 K C 1.644 178.176 176.600 -0.114 0.000 1.050 380 K CA 1.408 57.567 56.287 -0.214 0.000 0.935 380 K CB 0.334 32.659 32.500 -0.291 0.000 0.715 380 K HN 0.326 nan 8.250 nan 0.000 0.439 381 G N -0.475 108.270 108.800 -0.093 0.000 3.942 381 G HA2 -0.031 3.928 3.960 -0.001 0.000 0.219 381 G HA3 -0.031 3.928 3.960 -0.001 0.000 0.219 381 G C -0.118 174.769 174.900 -0.021 0.000 0.869 381 G CA -0.597 44.478 45.100 -0.042 0.000 0.851 381 G HN 0.072 nan 8.290 nan 0.000 0.560 382 L N 1.909 123.105 121.223 -0.045 0.000 2.499 382 L HA 0.193 4.532 4.340 -0.001 0.000 0.273 382 L C -0.474 176.410 176.870 0.023 0.000 1.195 382 L CA -1.285 53.539 54.840 -0.026 0.000 0.882 382 L CB 1.387 43.387 42.059 -0.098 0.000 1.133 382 L HN -0.051 nan 8.230 nan 0.000 0.483 383 P HA -0.284 nan 4.420 nan 0.000 0.218 383 P C 0.496 177.902 177.300 0.176 0.000 1.132 383 P CA 2.636 65.762 63.100 0.044 0.000 0.968 383 P CB 0.101 31.773 31.700 -0.046 0.000 0.783 384 F N -7.155 112.806 119.950 0.018 0.000 1.390 384 F HA -0.006 4.521 4.527 -0.001 0.000 0.442 384 F C 1.317 177.164 175.800 0.078 0.000 0.614 384 F CA 0.112 58.135 58.000 0.039 0.000 2.487 384 F CB -0.890 38.127 39.000 0.028 0.000 3.379 384 F HN -0.346 nan 8.300 nan 0.000 0.218 385 R N 1.331 121.314 120.500 -0.863 0.000 2.119 385 R HA 0.048 4.387 4.340 -0.001 0.000 0.222 385 R C 2.010 178.220 176.300 -0.150 0.000 1.088 385 R CA 1.803 57.508 56.100 -0.657 0.000 0.984 385 R CB -0.242 29.599 30.300 -0.764 0.000 0.884 385 R HN 0.720 nan 8.270 nan 0.000 0.447 386 E N -0.360 119.773 120.200 -0.112 0.000 2.076 386 E HA -0.087 4.262 4.350 -0.001 0.000 0.190 386 E C 1.773 178.436 176.600 0.106 0.000 0.979 386 E CA 0.843 57.254 56.400 0.019 0.000 0.807 386 E CB -0.012 29.683 29.700 -0.009 0.000 0.761 386 E HN 0.348 nan 8.360 nan 0.000 0.454 387 A N 1.392 124.259 122.820 0.079 0.000 1.940 387 A HA -0.261 4.058 4.320 -0.001 0.000 0.219 387 A C 2.153 179.809 177.584 0.120 0.000 1.176 387 A CA 1.797 53.871 52.037 0.061 0.000 0.631 387 A CB -0.972 18.067 19.000 0.066 0.000 0.814 387 A HN 0.470 nan 8.150 nan 0.000 0.446 388 H N -1.123 118.008 119.070 0.102 0.000 2.293 388 H HA -0.220 4.335 4.556 -0.002 0.000 0.300 388 H C 2.091 177.484 175.328 0.108 0.000 1.082 388 H CA 2.382 58.497 56.048 0.111 0.000 1.308 388 H CB -0.478 29.359 29.762 0.125 0.000 1.375 388 H HN 0.730 nan 8.280 nan 0.000 0.495 389 H N 0.273 119.471 119.070 0.214 0.000 2.353 389 H HA -0.105 4.450 4.556 -0.001 0.000 0.298 389 H C 2.400 177.801 175.328 0.123 0.000 1.103 389 H CA 2.129 58.267 56.048 0.151 0.000 1.293 389 H CB -0.241 29.579 29.762 0.096 0.000 1.372 389 H HN 0.102 nan 8.280 nan 0.000 0.501 390 V N 0.419 120.418 119.914 0.142 0.000 2.261 390 V HA -0.268 3.852 4.120 -0.001 0.000 0.246 390 V C 2.777 178.920 176.094 0.083 0.000 1.047 390 V CA 1.738 64.144 62.300 0.177 0.000 1.015 390 V CB -0.919 31.028 31.823 0.207 0.000 0.642 390 V HN 0.622 nan 8.190 nan 0.000 0.446 391 V N -0.206 119.700 119.914 -0.013 0.000 2.626 391 V HA 0.004 4.124 4.120 -0.001 0.000 0.252 391 V C 2.303 178.312 176.094 -0.142 0.000 1.067 391 V CA 2.052 64.291 62.300 -0.101 0.000 1.081 391 V CB -1.453 30.328 31.823 -0.070 0.000 0.686 391 V HN 0.421 nan 8.190 nan 0.000 0.468 392 G N -0.006 108.712 108.800 -0.137 0.000 2.403 392 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.216 392 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.216 392 G C 1.857 176.685 174.900 -0.120 0.000 1.154 392 G CA 1.083 46.102 45.100 -0.135 0.000 0.784 392 G HN 0.765 nan 8.290 nan 0.000 0.538 393 R N 0.320 120.755 120.500 -0.108 0.000 2.148 393 R HA 0.350 4.690 4.340 -0.001 0.000 0.223 393 R C 2.378 178.734 176.300 0.093 0.000 1.088 393 R CA 1.321 57.401 56.100 -0.034 0.000 0.985 393 R CB -0.912 29.370 30.300 -0.030 0.000 0.880 393 R HN 0.494 nan 8.270 nan 0.000 0.451 394 L N -0.378 120.889 121.223 0.073 0.000 2.162 394 L HA 0.017 4.356 4.340 -0.001 0.000 0.205 394 L C 2.277 179.100 176.870 -0.078 0.000 1.086 394 L CA 0.789 55.614 54.840 -0.026 0.000 0.778 394 L CB 0.043 41.812 42.059 -0.483 0.000 0.928 394 L HN 0.176 nan 8.230 nan 0.000 0.446 395 V N 0.822 120.657 119.914 -0.132 0.000 2.295 395 V HA -0.310 3.810 4.120 -0.001 0.000 0.246 395 V C 3.340 179.297 176.094 -0.228 0.000 1.049 395 V CA 2.399 64.572 62.300 -0.212 0.000 1.024 395 V CB -1.287 30.375 31.823 -0.268 0.000 0.648 395 V HN 0.631 nan 8.190 nan 0.000 0.447 396 R N 0.024 120.431 120.500 -0.156 0.000 2.091 396 R HA -0.180 4.159 4.340 -0.001 0.000 0.238 396 R C 2.317 178.572 176.300 -0.076 0.000 1.136 396 R CA 2.070 58.098 56.100 -0.121 0.000 0.959 396 R CB -1.167 29.087 30.300 -0.076 0.000 0.856 396 R HN 0.550 nan 8.270 nan 0.000 0.437 397 R N 0.072 120.551 120.500 -0.036 0.000 2.096 397 R HA 0.049 4.388 4.340 -0.001 0.000 0.235 397 R C 2.372 178.673 176.300 0.002 0.000 1.127 397 R CA 1.562 57.661 56.100 -0.002 0.000 0.968 397 R CB -0.357 29.966 30.300 0.037 0.000 0.861 397 R HN 0.514 nan 8.270 nan 0.000 0.440 398 L N 0.578 121.799 121.223 -0.003 0.000 2.156 398 L HA -0.114 4.225 4.340 -0.001 0.000 0.208 398 L C 2.493 179.413 176.870 0.084 0.000 1.095 398 L CA 0.871 55.749 54.840 0.065 0.000 0.770 398 L CB -0.464 41.695 42.059 0.167 0.000 0.914 398 L HN 0.144 nan 8.230 nan 0.000 0.439 399 V N -2.882 117.017 119.914 -0.026 0.000 2.453 399 V HA -0.181 3.938 4.120 -0.001 0.000 0.247 399 V C 2.048 178.152 176.094 0.016 0.000 1.048 399 V CA 1.283 63.582 62.300 -0.002 0.000 1.049 399 V CB -0.693 31.046 31.823 -0.140 0.000 0.672 399 V HN 0.391 nan 8.190 nan 0.000 0.457 400 E N 0.949 121.146 120.200 -0.006 0.000 2.038 400 E HA -0.221 4.128 4.350 -0.001 0.000 0.195 400 E C 2.113 178.722 176.600 0.016 0.000 1.000 400 E CA 1.910 58.311 56.400 0.002 0.000 0.803 400 E CB -0.249 29.449 29.700 -0.003 0.000 0.750 400 E HN 0.755 nan 8.360 nan 0.000 0.448 401 E N -0.221 119.993 120.200 0.023 0.000 2.512 401 E HA 0.053 4.402 4.350 -0.001 0.000 0.195 401 E C 0.544 177.165 176.600 0.034 0.000 1.083 401 E CA 0.210 56.625 56.400 0.025 0.000 0.873 401 E CB 0.214 29.928 29.700 0.024 0.000 0.897 401 E HN 0.353 nan 8.360 nan 0.000 0.514 402 G N 2.399 111.228 108.800 0.049 0.000 2.323 402 G HA2 -0.340 3.620 3.960 -0.001 0.000 0.292 402 G HA3 -0.340 3.620 3.960 -0.001 0.000 0.292 402 G C -0.196 174.739 174.900 0.058 0.000 1.040 402 G CA 0.318 45.453 45.100 0.058 0.000 0.942 402 G HN 0.180 nan 8.290 nan 0.000 0.506 403 R N -0.345 120.207 120.500 0.087 0.000 2.599 403 R HA 0.691 5.030 4.340 -0.001 0.000 0.295 403 R C 0.509 176.839 176.300 0.049 0.000 0.963 403 R CA -0.159 55.973 56.100 0.052 0.000 0.883 403 R CB 1.698 32.021 30.300 0.038 0.000 1.171 403 R HN 0.486 nan 8.270 nan 0.000 0.450 404 A N 2.738 125.504 122.820 -0.090 0.000 2.332 404 A HA 0.139 4.459 4.320 -0.001 0.000 0.258 404 A C 1.243 178.710 177.584 -0.194 0.000 1.087 404 A CA -0.431 51.431 52.037 -0.291 0.000 0.802 404 A CB 0.341 19.188 19.000 -0.257 0.000 1.042 404 A HN 0.934 nan 8.150 nan 0.000 0.489 405 L N 0.589 121.643 121.223 -0.281 0.000 2.127 405 L HA -0.210 4.129 4.340 -0.001 0.000 0.211 405 L C 2.619 179.424 176.870 -0.107 0.000 1.089 405 L CA 2.293 57.069 54.840 -0.107 0.000 0.757 405 L CB -0.289 41.720 42.059 -0.084 0.000 0.899 405 L HN 1.023 nan 8.230 nan 0.000 0.434 406 K N -1.102 119.225 120.400 -0.121 0.000 2.097 406 K HA -0.169 4.151 4.320 -0.001 0.000 0.206 406 K C 0.883 177.438 176.600 -0.076 0.000 1.049 406 K CA 1.453 57.686 56.287 -0.090 0.000 0.933 406 K CB -0.454 31.999 32.500 -0.078 0.000 0.717 406 K HN 0.307 nan 8.250 nan 0.000 0.442 407 D N 1.342 121.698 120.400 -0.073 0.000 2.348 407 D HA 0.049 4.688 4.640 -0.001 0.000 0.248 407 D C 0.383 176.651 176.300 -0.053 0.000 1.142 407 D CA 0.381 54.348 54.000 -0.055 0.000 0.904 407 D CB -0.068 40.705 40.800 -0.046 0.000 0.901 407 D HN 0.227 nan 8.370 nan 0.000 0.523 408 L N 0.741 121.922 121.223 -0.070 0.000 2.418 408 L HA 0.192 4.531 4.340 -0.001 0.000 0.265 408 L C 1.010 177.832 176.870 -0.080 0.000 1.143 408 L CA -0.161 54.631 54.840 -0.080 0.000 0.809 408 L CB 1.294 43.279 42.059 -0.122 0.000 1.124 408 L HN -0.028 nan 8.230 nan 0.000 0.456 409 T N -1.493 113.019 114.554 -0.071 0.000 2.932 409 T HA 0.529 4.879 4.350 -0.001 0.000 0.289 409 T C 1.163 175.823 174.700 -0.066 0.000 1.039 409 T CA -0.207 61.857 62.100 -0.059 0.000 1.024 409 T CB 1.375 70.222 68.868 -0.036 0.000 1.090 409 T HN 0.433 nan 8.240 nan 0.000 0.496 410 L N 1.051 122.243 121.223 -0.052 0.000 1.952 410 L HA 0.034 4.373 4.340 -0.001 0.000 0.231 410 L C 1.632 178.490 176.870 -0.020 0.000 1.088 410 L CA 2.293 57.109 54.840 -0.040 0.000 0.802 410 L CB -2.114 39.936 42.059 -0.014 0.000 0.903 410 L HN 1.049 nan 8.230 nan 0.000 0.439 411 E N 0.399 120.598 120.200 -0.001 0.000 2.081 411 E HA 0.265 4.614 4.350 -0.001 0.000 0.270 411 E C 0.233 176.838 176.600 0.007 0.000 1.180 411 E CA 0.584 56.992 56.400 0.015 0.000 0.926 411 E CB 0.968 30.678 29.700 0.016 0.000 1.035 411 E HN 0.940 nan 8.360 nan 0.000 0.418 412 E N 1.543 121.753 120.200 0.017 0.000 1.370 412 E HA -0.202 4.147 4.350 -0.001 0.000 0.224 412 E C 0.632 177.246 176.600 0.024 0.000 1.057 412 E CA 0.319 56.729 56.400 0.017 0.000 1.245 412 E CB -1.046 28.649 29.700 -0.008 0.000 4.556 412 E HN 0.286 nan 8.360 nan 0.000 0.730 413 L N 2.512 123.707 121.223 -0.047 0.000 2.007 413 L HA 0.103 4.442 4.340 -0.001 0.000 0.205 413 L C 2.441 179.332 176.870 0.036 0.000 1.073 413 L CA 2.783 57.525 54.840 -0.165 0.000 0.744 413 L CB -0.691 41.162 42.059 -0.343 0.000 0.898 413 L HN 0.422 nan 8.230 nan 0.000 0.435 414 Q N -0.869 118.978 119.800 0.078 0.000 2.443 414 Q HA -0.170 4.169 4.340 -0.001 0.000 0.213 414 Q C 1.832 177.943 176.000 0.186 0.000 0.982 414 Q CA 1.233 57.149 55.803 0.188 0.000 0.894 414 Q CB -0.034 28.776 28.738 0.120 0.000 0.947 414 Q HN 0.690 nan 8.270 nan 0.000 0.480 415 A N -0.415 122.494 122.820 0.148 0.000 1.903 415 A HA -0.153 4.166 4.320 -0.001 0.000 0.213 415 A C 1.901 179.581 177.584 0.160 0.000 1.185 415 A CA 0.998 53.106 52.037 0.118 0.000 0.628 415 A CB -0.714 18.332 19.000 0.076 0.000 0.830 415 A HN 0.532 nan 8.150 nan 0.000 0.446 416 H N -0.869 118.281 119.070 0.134 0.000 2.422 416 H HA -0.099 4.456 4.556 -0.002 0.000 0.298 416 H C -0.297 175.194 175.328 0.271 0.000 1.098 416 H CA 1.846 58.001 56.048 0.177 0.000 1.315 416 H CB -0.071 29.797 29.762 0.177 0.000 1.382 416 H HN 0.637 nan 8.280 nan 0.000 0.523 417 H N -1.131 118.187 119.070 0.413 0.000 3.154 417 H HA 0.165 4.719 4.556 -0.004 0.000 0.330 417 H C -1.934 173.510 175.328 0.193 0.000 1.033 417 H CA -1.127 55.081 56.048 0.265 0.000 1.393 417 H CB 1.658 31.563 29.762 0.239 0.000 1.951 417 H HN -0.082 nan 8.280 nan 0.000 0.466 418 P HA -0.158 nan 4.420 nan 0.000 0.224 418 P C 0.980 178.395 177.300 0.190 0.000 1.142 418 P CA 0.960 64.112 63.100 0.088 0.000 0.778 418 P CB 0.486 32.169 31.700 -0.028 0.000 0.764 419 L N -2.455 118.978 121.223 0.350 0.000 2.341 419 L HA 0.062 4.402 4.340 -0.001 0.000 0.214 419 L C 1.108 178.102 176.870 0.208 0.000 1.115 419 L CA 0.076 55.032 54.840 0.193 0.000 0.820 419 L CB -0.498 41.597 42.059 0.059 0.000 0.944 419 L HN -0.165 nan 8.230 nan 0.000 0.452 420 F N 0.841 120.982 119.950 0.317 0.000 2.504 420 F HA 0.346 4.875 4.527 0.003 0.000 0.369 420 F C 0.680 176.578 175.800 0.164 0.000 1.082 420 F CA -0.438 57.698 58.000 0.226 0.000 1.216 420 F CB 0.290 39.337 39.000 0.079 0.000 1.108 420 F HN -0.125 nan 8.300 nan 0.000 0.554 421 A N 3.182 126.228 122.820 0.378 0.000 2.485 421 A HA 0.478 4.797 4.320 -0.001 0.000 0.292 421 A C 1.015 178.686 177.584 0.145 0.000 1.147 421 A CA -0.669 51.508 52.037 0.234 0.000 0.750 421 A CB 0.809 19.950 19.000 0.236 0.000 1.331 421 A HN 0.732 nan 8.150 nan 0.000 0.419 422 E N 0.778 121.036 120.200 0.097 0.000 2.113 422 E HA -0.310 4.039 4.350 -0.001 0.000 0.210 422 E C 0.981 177.609 176.600 0.047 0.000 1.040 422 E CA 2.000 58.431 56.400 0.053 0.000 0.847 422 E CB -0.262 29.468 29.700 0.048 0.000 0.755 422 E HN 0.818 nan 8.360 nan 0.000 0.459 423 D N 0.167 120.627 120.400 0.099 0.000 2.393 423 D HA -0.169 4.470 4.640 -0.001 0.000 0.220 423 D C 1.528 177.879 176.300 0.085 0.000 0.974 423 D CA 1.112 55.182 54.000 0.117 0.000 0.931 423 D CB -0.081 40.829 40.800 0.183 0.000 0.889 423 D HN 0.220 nan 8.370 nan 0.000 0.512 424 A N 0.652 123.441 122.820 -0.052 0.000 1.984 424 A HA 0.035 4.354 4.320 -0.001 0.000 0.214 424 A C 2.248 179.713 177.584 -0.200 0.000 1.173 424 A CA -0.093 51.744 52.037 -0.333 0.000 0.673 424 A CB -0.367 18.223 19.000 -0.683 0.000 0.830 424 A HN 0.147 nan 8.150 nan 0.000 0.453 425 L N 0.292 121.438 121.223 -0.129 0.000 2.010 425 L HA -0.168 4.171 4.340 -0.001 0.000 0.219 425 L C -0.576 176.248 176.870 -0.076 0.000 1.077 425 L CA 2.613 57.390 54.840 -0.106 0.000 0.773 425 L CB -2.137 39.884 42.059 -0.063 0.000 0.892 425 L HN 0.198 nan 8.230 nan 0.000 0.436 426 P HA -0.156 nan 4.420 nan 0.000 0.222 426 P C 1.792 179.084 177.300 -0.013 0.000 1.142 426 P CA 1.046 64.139 63.100 -0.011 0.000 0.788 426 P CB -0.018 31.690 31.700 0.014 0.000 0.767 427 L N -2.533 118.665 121.223 -0.042 0.000 2.492 427 L HA -0.017 4.322 4.340 -0.001 0.000 0.223 427 L C 1.354 178.187 176.870 -0.061 0.000 1.132 427 L CA 0.267 55.083 54.840 -0.041 0.000 0.850 427 L CB -0.513 41.517 42.059 -0.049 0.000 0.966 427 L HN -0.021 nan 8.230 nan 0.000 0.454 428 L N -0.380 120.796 121.223 -0.078 0.000 2.554 428 L HA 0.111 4.450 4.340 -0.001 0.000 0.226 428 L C 0.766 177.601 176.870 -0.059 0.000 1.137 428 L CA 0.924 55.714 54.840 -0.084 0.000 0.863 428 L CB -0.562 41.434 42.059 -0.105 0.000 0.985 428 L HN 0.116 nan 8.230 nan 0.000 0.451 429 R N -1.304 119.178 120.500 -0.030 0.000 2.575 429 R HA 0.281 4.620 4.340 -0.001 0.000 0.293 429 R C 0.773 177.089 176.300 0.028 0.000 0.983 429 R CA -0.594 55.507 56.100 0.002 0.000 0.887 429 R CB 2.177 32.488 30.300 0.019 0.000 1.184 429 R HN -0.089 nan 8.270 nan 0.000 0.445 430 L N 2.065 123.313 121.223 0.043 0.000 1.990 430 L HA -0.304 4.036 4.340 -0.001 0.000 0.213 430 L C 1.304 178.257 176.870 0.139 0.000 1.072 430 L CA 1.885 56.725 54.840 0.000 0.000 0.755 430 L CB -0.041 41.955 42.059 -0.105 0.000 0.889 430 L HN 0.695 nan 8.230 nan 0.000 0.432 431 E N -0.557 119.850 120.200 0.344 0.000 2.172 431 E HA -0.314 4.035 4.350 -0.001 0.000 0.213 431 E C 1.820 178.558 176.600 0.229 0.000 1.051 431 E CA 2.580 59.174 56.400 0.325 0.000 0.860 431 E CB -0.586 29.214 29.700 0.167 0.000 0.755 431 E HN 0.691 nan 8.360 nan 0.000 0.462 432 T N -3.576 111.074 114.554 0.160 0.000 2.990 432 T HA 0.451 4.800 4.350 -0.001 0.000 0.249 432 T C 1.854 176.640 174.700 0.143 0.000 1.039 432 T CA 0.245 62.457 62.100 0.187 0.000 1.036 432 T CB 0.218 69.149 68.868 0.104 0.000 0.994 432 T HN 0.189 nan 8.240 nan 0.000 0.489 433 A N 2.442 125.292 122.820 0.051 0.000 1.929 433 A HA 0.151 4.470 4.320 -0.001 0.000 0.216 433 A C 2.082 179.635 177.584 -0.052 0.000 1.176 433 A CA 1.334 53.372 52.037 0.001 0.000 0.628 433 A CB -0.852 18.126 19.000 -0.037 0.000 0.816 433 A HN 0.601 nan 8.150 nan 0.000 0.444 434 I N -1.499 118.987 120.570 -0.141 0.000 2.623 434 I HA -0.207 3.962 4.170 -0.001 0.000 0.261 434 I C 1.484 177.431 176.117 -0.282 0.000 1.204 434 I CA 1.094 62.241 61.300 -0.255 0.000 1.444 434 I CB -1.286 36.499 38.000 -0.359 0.000 1.094 434 I HN 0.318 nan 8.210 nan 0.000 0.451 435 H N 0.546 119.598 119.070 -0.030 0.000 2.536 435 H HA 0.202 4.757 4.556 -0.002 0.000 0.276 435 H C 1.913 177.230 175.328 -0.019 0.000 1.019 435 H CA 0.200 56.236 56.048 -0.020 0.000 1.159 435 H CB 0.154 29.915 29.762 -0.002 0.000 1.373 435 H HN 0.312 nan 8.280 nan 0.000 0.584 436 R N 1.600 122.122 120.500 0.036 0.000 2.048 436 R HA 0.029 4.368 4.340 -0.001 0.000 0.224 436 R C 0.712 177.016 176.300 0.006 0.000 1.163 436 R CA 0.755 56.872 56.100 0.029 0.000 0.956 436 R CB 0.058 30.364 30.300 0.011 0.000 0.849 436 R HN -0.000 nan 8.270 nan 0.000 0.435 437 R N 2.066 122.547 120.500 -0.032 0.000 3.688 437 R HA 0.069 4.408 4.340 -0.001 0.000 0.194 437 R C 0.038 176.308 176.300 -0.050 0.000 1.677 437 R CA 0.170 56.246 56.100 -0.040 0.000 1.351 437 R CB -0.152 30.110 30.300 -0.064 0.000 1.338 437 R HN 0.363 nan 8.270 nan 0.000 0.731 438 R N -0.649 119.842 120.500 -0.014 0.000 2.568 438 R HA 0.097 4.437 4.340 -0.001 0.000 0.288 438 R C 0.033 176.341 176.300 0.013 0.000 1.077 438 R CA -0.262 55.834 56.100 -0.007 0.000 1.102 438 R CB 0.274 30.586 30.300 0.021 0.000 1.278 438 R HN 0.183 nan 8.270 nan 0.000 0.560 439 S N -0.083 115.627 115.700 0.017 0.000 2.600 439 S HA 0.004 4.473 4.470 -0.001 0.000 0.265 439 S C -0.188 174.468 174.600 0.093 0.000 1.325 439 S CA -0.891 57.344 58.200 0.060 0.000 1.002 439 S CB 0.416 63.647 63.200 0.052 0.000 0.921 439 S HN 0.349 nan 8.310 nan 0.000 0.554 440 Y N 1.488 121.792 120.300 0.007 0.000 2.745 440 Y HA 0.367 4.916 4.550 -0.002 0.000 0.335 440 Y C 1.446 177.364 175.900 0.031 0.000 1.212 440 Y CA 1.317 59.427 58.100 0.017 0.000 1.535 440 Y CB -0.528 37.942 38.460 0.017 0.000 1.220 440 Y HN 1.204 nan 8.280 nan 0.000 0.531 441 G N 3.166 111.818 108.800 -0.247 0.000 2.194 441 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.236 441 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.236 441 G C 0.566 175.500 174.900 0.056 0.000 0.987 441 G CA -0.125 44.923 45.100 -0.086 0.000 0.635 441 G HN 1.199 nan 8.290 nan 0.000 0.520 442 G N -0.626 108.136 108.800 -0.063 0.000 2.621 442 G HA2 0.489 4.449 3.960 -0.001 0.000 0.271 442 G HA3 0.489 4.449 3.960 -0.001 0.000 0.271 442 G C 1.025 175.597 174.900 -0.548 0.000 1.236 442 G CA 0.934 45.924 45.100 -0.183 0.000 0.958 442 G HN 0.699 nan 8.290 nan 0.000 0.512 443 T N -0.277 113.915 114.554 -0.605 0.000 3.129 443 T HA 0.366 4.716 4.350 -0.001 0.000 0.251 443 T C 1.236 175.736 174.700 -0.332 0.000 1.117 443 T CA 0.374 62.075 62.100 -0.666 0.000 1.034 443 T CB 0.010 68.620 68.868 -0.429 0.000 0.968 443 T HN 0.794 nan 8.240 nan 0.000 0.526 444 A N 3.045 125.727 122.820 -0.230 0.000 2.548 444 A HA 0.319 4.638 4.320 -0.001 0.000 0.247 444 A C -0.830 176.689 177.584 -0.107 0.000 1.067 444 A CA -1.123 50.828 52.037 -0.143 0.000 0.757 444 A CB 0.132 19.099 19.000 -0.055 0.000 0.996 444 A HN 0.108 nan 8.150 nan 0.000 0.504 445 P HA -0.269 nan 4.420 nan 0.000 0.217 445 P C 1.445 178.762 177.300 0.028 0.000 1.158 445 P CA 1.814 64.901 63.100 -0.021 0.000 0.887 445 P CB 0.156 31.872 31.700 0.025 0.000 0.792 446 E N -0.614 119.633 120.200 0.078 0.000 2.086 446 E HA -0.306 4.043 4.350 -0.001 0.000 0.205 446 E C 1.891 178.498 176.600 0.012 0.000 1.027 446 E CA 1.821 58.255 56.400 0.057 0.000 0.830 446 E CB -0.625 29.116 29.700 0.069 0.000 0.751 446 E HN 0.135 nan 8.360 nan 0.000 0.456 447 A N 0.294 123.104 122.820 -0.017 0.000 1.855 447 A HA -0.112 4.207 4.320 -0.001 0.000 0.215 447 A C 2.438 179.982 177.584 -0.066 0.000 1.191 447 A CA 1.462 53.467 52.037 -0.054 0.000 0.613 447 A CB -0.732 18.217 19.000 -0.085 0.000 0.829 447 A HN 0.235 nan 8.150 nan 0.000 0.442 448 V N 0.262 120.138 119.914 -0.064 0.000 2.546 448 V HA -0.274 3.845 4.120 -0.001 0.000 0.254 448 V C 2.586 178.675 176.094 -0.008 0.000 1.076 448 V CA 2.280 64.570 62.300 -0.017 0.000 1.087 448 V CB -0.946 30.878 31.823 0.001 0.000 0.674 448 V HN 0.612 nan 8.190 nan 0.000 0.470 449 R N -0.266 120.229 120.500 -0.008 0.000 2.092 449 R HA -0.155 4.184 4.340 -0.001 0.000 0.231 449 R C 2.400 178.692 176.300 -0.014 0.000 1.119 449 R CA 1.295 57.393 56.100 -0.003 0.000 0.970 449 R CB -0.092 30.214 30.300 0.011 0.000 0.864 449 R HN 0.402 nan 8.270 nan 0.000 0.440 450 E N 0.504 120.691 120.200 -0.021 0.000 2.112 450 E HA -0.091 4.259 4.350 -0.001 0.000 0.190 450 E C 1.735 178.313 176.600 -0.037 0.000 0.979 450 E CA 0.893 57.282 56.400 -0.019 0.000 0.814 450 E CB 0.105 29.800 29.700 -0.009 0.000 0.762 450 E HN 0.162 nan 8.360 nan 0.000 0.460 451 R N 0.382 120.844 120.500 -0.064 0.000 2.237 451 R HA -0.031 4.308 4.340 -0.001 0.000 0.219 451 R C 2.106 178.358 176.300 -0.080 0.000 1.080 451 R CA 0.224 56.279 56.100 -0.075 0.000 0.995 451 R CB -0.445 29.802 30.300 -0.089 0.000 0.875 451 R HN 0.249 nan 8.270 nan 0.000 0.462 452 L N 0.656 121.840 121.223 -0.065 0.000 2.202 452 L HA 0.020 4.360 4.340 -0.001 0.000 0.205 452 L C 1.700 178.521 176.870 -0.081 0.000 1.083 452 L CA 1.363 56.153 54.840 -0.084 0.000 0.790 452 L CB -0.191 41.843 42.059 -0.043 0.000 0.942 452 L HN 0.124 nan 8.230 nan 0.000 0.452 453 E N 0.213 120.384 120.200 -0.048 0.000 2.007 453 E HA -0.304 4.045 4.350 -0.001 0.000 0.194 453 E C 1.824 178.400 176.600 -0.038 0.000 0.999 453 E CA 1.522 57.902 56.400 -0.034 0.000 0.811 453 E CB -0.100 29.592 29.700 -0.015 0.000 0.762 453 E HN 0.460 nan 8.360 nan 0.000 0.450 454 E N 0.562 120.747 120.200 -0.026 0.000 2.136 454 E HA -0.328 4.021 4.350 -0.001 0.000 0.208 454 E C 1.909 178.494 176.600 -0.024 0.000 1.035 454 E CA 1.565 57.961 56.400 -0.007 0.000 0.838 454 E CB -0.159 29.547 29.700 0.011 0.000 0.748 454 E HN 0.243 nan 8.360 nan 0.000 0.459 455 A N 1.023 123.778 122.820 -0.107 0.000 1.858 455 A HA -0.210 4.109 4.320 -0.001 0.000 0.216 455 A C 2.104 179.604 177.584 -0.141 0.000 1.190 455 A CA 1.885 53.780 52.037 -0.236 0.000 0.617 455 A CB -0.519 18.099 19.000 -0.637 0.000 0.827 455 A HN 0.243 nan 8.150 nan 0.000 0.443 456 K N -0.259 120.065 120.400 -0.127 0.000 2.107 456 K HA -0.261 4.058 4.320 -0.001 0.000 0.211 456 K C 2.500 179.086 176.600 -0.024 0.000 1.049 456 K CA 2.417 58.661 56.287 -0.070 0.000 0.927 456 K CB -0.376 32.090 32.500 -0.057 0.000 0.714 456 K HN 0.510 nan 8.250 nan 0.000 0.452 457 K N 1.684 122.078 120.400 -0.011 0.000 2.057 457 K HA -0.186 4.134 4.320 -0.001 0.000 0.207 457 K C 1.664 178.282 176.600 0.030 0.000 1.049 457 K CA 1.954 58.247 56.287 0.010 0.000 0.931 457 K CB -0.809 31.700 32.500 0.014 0.000 0.714 457 K HN 0.443 nan 8.250 nan 0.000 0.440 458 E N 0.258 120.490 120.200 0.053 0.000 2.515 458 E HA -0.034 4.315 4.350 -0.001 0.000 0.201 458 E C 1.343 178.000 176.600 0.094 0.000 1.071 458 E CA 1.204 57.657 56.400 0.089 0.000 0.880 458 E CB -0.030 29.764 29.700 0.158 0.000 0.828 458 E HN 0.583 nan 8.360 nan 0.000 0.540 459 V N -5.147 114.809 119.914 0.069 0.000 3.356 459 V HA 0.463 4.582 4.120 -0.001 0.000 0.274 459 V C 0.474 176.587 176.094 0.031 0.000 1.631 459 V CA -0.025 62.314 62.300 0.064 0.000 1.025 459 V CB 0.786 32.668 31.823 0.099 0.000 0.840 459 V HN 0.059 nan 8.190 nan 0.000 0.419 460 G N 1.850 110.660 108.800 0.017 0.000 2.949 460 G HA2 0.111 4.070 3.960 -0.001 0.000 0.658 460 G HA3 0.111 4.070 3.960 -0.001 0.000 0.658 460 G C -0.722 174.176 174.900 -0.005 0.000 1.194 460 G CA -0.151 44.953 45.100 0.006 0.000 1.204 460 G HN 0.828 nan 8.290 nan 0.000 0.524 461 L N 0.848 122.067 121.223 -0.007 0.000 2.864 461 L HA 0.786 5.125 4.340 -0.001 0.000 0.177 461 L C 1.699 178.562 176.870 -0.011 0.000 1.341 461 L CA 1.294 56.126 54.840 -0.014 0.000 0.892 461 L CB -1.521 40.529 42.059 -0.016 0.000 1.290 461 L HN 0.844 nan 8.230 nan 0.000 0.545 462 D N 0.000 120.396 120.400 -0.007 0.000 6.856 462 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 462 D CA 0.000 53.997 54.000 -0.006 0.000 0.868 462 D CB 0.000 40.798 40.800 -0.003 0.000 0.688 462 D HN 0.000 nan 8.370 nan 0.000 0.683