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 1g7x_1_A DATA FIRST_RESID 5 DATA SEQUENCE MFENITAAPA DPILGLADLF RADERPGKIN LGIGVYKDET GKTPVLTSVK DATA SEQUENCE KAEQYLLENE XTTKNYLGID GIPEFGRCTQ ELLFGKGSAL INDKRARTAQ DATA SEQUENCE TPGGTGALRV AADFLAKNTS VKXXRXXXVW VSNPSWPNHK SVFNSAGLXE DATA SEQUENCE VREYAYYDAE NHTLDFDALI NSLNEAQAGD VVLFHGCCHA PTGIDPTLEQ DATA SEQUENCE WQTLAQLSVE KGWLPLFDFA YQGFARGXLE EDAEGLRAFA AMHKELIVAS DATA SEQUENCE SYSKNFGLYN ERVGACTLVA ADSETVDRAF SQMKAAILAN YSNPPAHGAS DATA SEQUENCE VVATILSNDA LRAIWEQELT DMRQRIQRMR QLFVNTLQEK GANRDFSFII DATA SEQUENCE KQNGMFSFSG LTKEQVLRLR EEFGVYAVAS GLVNVAGMTP DNMAPLCEAI DATA SEQUENCE VAXVL 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.218 176.300 -0.136 0.000 1.140 5 M CA 0.000 55.111 55.300 -0.314 0.000 0.988 5 M CB 0.000 32.483 32.600 -0.196 0.000 1.302 6 F N -1.019 118.930 119.950 -0.002 0.000 2.767 6 F HA 0.363 4.904 4.527 0.024 0.000 0.323 6 F C 2.026 177.825 175.800 -0.002 0.000 1.091 6 F CA -0.425 57.574 58.000 -0.002 0.000 1.192 6 F CB 0.542 39.541 39.000 -0.002 0.000 1.056 6 F HN 0.449 nan 8.300 nan 0.000 0.571 7 E N 1.763 122.039 120.200 0.127 0.000 2.268 7 E HA -0.158 4.206 4.350 0.024 0.000 0.195 7 E C 0.947 177.584 176.600 0.063 0.000 0.995 7 E CA 0.951 57.400 56.400 0.082 0.000 0.836 7 E CB -0.069 29.655 29.700 0.040 0.000 0.763 7 E HN 0.455 nan 8.360 nan 0.000 0.491 8 N N 0.719 119.456 118.700 0.061 0.000 2.378 8 N HA 0.035 4.789 4.740 0.024 0.000 0.243 8 N C 0.049 175.588 175.510 0.049 0.000 1.137 8 N CA -0.061 53.015 53.050 0.044 0.000 0.862 8 N CB 0.061 38.567 38.487 0.031 0.000 1.116 8 N HN 0.084 nan 8.380 nan 0.000 0.499 9 I N 1.282 121.890 120.570 0.063 0.000 2.371 9 I HA 0.040 4.225 4.170 0.024 0.000 0.290 9 I C 0.127 176.257 176.117 0.021 0.000 1.028 9 I CA -0.090 61.238 61.300 0.046 0.000 1.345 9 I CB 1.071 39.107 38.000 0.060 0.000 1.407 9 I HN -0.036 nan 8.210 nan 0.000 0.501 10 T N 6.869 121.430 114.554 0.011 0.000 2.901 10 T HA 0.295 4.659 4.350 0.024 0.000 0.301 10 T C 0.278 174.974 174.700 -0.006 0.000 1.012 10 T CA -0.463 61.639 62.100 0.003 0.000 1.135 10 T CB 0.757 69.626 68.868 0.001 0.000 0.936 10 T HN 0.679 nan 8.240 nan 0.000 0.539 11 A N 2.879 125.695 122.820 -0.008 0.000 2.462 11 A HA 0.579 4.913 4.320 0.024 0.000 0.243 11 A C 0.788 178.361 177.584 -0.018 0.000 1.076 11 A CA -0.517 51.511 52.037 -0.014 0.000 0.773 11 A CB -0.115 18.878 19.000 -0.011 0.000 1.010 11 A HN 1.055 nan 8.150 nan 0.000 0.493 12 A N 3.600 126.405 122.820 -0.025 0.000 2.445 12 A HA 0.543 4.877 4.320 0.024 0.000 0.242 12 A C -1.771 175.798 177.584 -0.026 0.000 1.075 12 A CA -0.949 51.070 52.037 -0.029 0.000 0.777 12 A CB -0.858 18.121 19.000 -0.036 0.000 1.013 12 A HN 0.747 nan 8.150 nan 0.000 0.493 13 P HA 0.306 nan 4.420 nan 0.000 0.267 13 P C -0.158 177.127 177.300 -0.025 0.000 1.200 13 P CA 0.189 63.274 63.100 -0.025 0.000 0.772 13 P CB 0.441 32.124 31.700 -0.030 0.000 0.855 14 A N 2.181 124.991 122.820 -0.017 0.000 2.515 14 A HA 0.018 4.353 4.320 0.024 0.000 0.263 14 A C 0.551 178.123 177.584 -0.019 0.000 1.096 14 A CA -0.043 51.986 52.037 -0.012 0.000 0.769 14 A CB -0.520 18.480 19.000 -0.001 0.000 1.040 14 A HN 0.571 nan 8.150 nan 0.000 0.505 15 D N 4.194 124.579 120.400 -0.024 0.000 2.472 15 D HA 0.050 4.704 4.640 0.024 0.000 0.248 15 D C -1.081 175.203 176.300 -0.027 0.000 1.174 15 D CA -1.231 52.748 54.000 -0.035 0.000 0.883 15 D CB 0.911 41.689 40.800 -0.035 0.000 1.149 15 D HN 0.239 nan 8.370 nan 0.000 0.488 16 P HA -0.215 nan 4.420 nan 0.000 0.222 16 P C 1.482 178.777 177.300 -0.009 0.000 1.159 16 P CA 1.796 64.878 63.100 -0.029 0.000 0.920 16 P CB -0.008 31.656 31.700 -0.060 0.000 0.793 17 I N -6.119 114.442 120.570 -0.015 0.000 3.339 17 I HA 0.063 4.247 4.170 0.024 0.000 0.285 17 I C 1.911 178.033 176.117 0.008 0.000 1.201 17 I CA 0.640 61.943 61.300 0.004 0.000 1.434 17 I CB -0.919 37.083 38.000 0.002 0.000 1.152 17 I HN -0.282 nan 8.210 nan 0.000 0.443 18 L N 2.275 123.498 121.223 -0.000 0.000 2.265 18 L HA 0.027 4.381 4.340 0.024 0.000 0.215 18 L C 2.514 179.394 176.870 0.016 0.000 1.117 18 L CA 1.907 56.749 54.840 0.003 0.000 0.782 18 L CB -1.055 41.001 42.059 -0.005 0.000 0.914 18 L HN 0.460 nan 8.230 nan 0.000 0.441 19 G N -1.018 107.796 108.800 0.023 0.000 2.394 19 G HA2 -0.179 3.795 3.960 0.024 0.000 0.214 19 G HA3 -0.179 3.795 3.960 0.024 0.000 0.214 19 G C 1.528 176.471 174.900 0.071 0.000 1.176 19 G CA 0.139 45.263 45.100 0.040 0.000 0.786 19 G HN 0.152 nan 8.290 nan 0.000 0.533 20 L N 1.367 122.641 121.223 0.086 0.000 2.042 20 L HA -0.076 4.279 4.340 0.024 0.000 0.210 20 L C 3.315 180.248 176.870 0.105 0.000 1.076 20 L CA 2.003 56.931 54.840 0.146 0.000 0.749 20 L CB -1.345 40.798 42.059 0.141 0.000 0.893 20 L HN 0.333 nan 8.230 nan 0.000 0.432 21 A N -0.248 122.597 122.820 0.042 0.000 1.859 21 A HA -0.266 4.069 4.320 0.024 0.000 0.217 21 A C 1.999 179.623 177.584 0.066 0.000 1.198 21 A CA 2.139 54.190 52.037 0.023 0.000 0.629 21 A CB -0.732 18.270 19.000 0.004 0.000 0.830 21 A HN 0.467 nan 8.150 nan 0.000 0.446 22 D N -0.485 119.946 120.400 0.052 0.000 2.144 22 D HA -0.114 4.541 4.640 0.024 0.000 0.199 22 D C 1.948 178.278 176.300 0.051 0.000 0.984 22 D CA 1.058 55.084 54.000 0.044 0.000 0.834 22 D CB -0.244 40.576 40.800 0.033 0.000 0.955 22 D HN 0.435 nan 8.370 nan 0.000 0.465 23 L N -0.077 121.201 121.223 0.091 0.000 2.093 23 L HA -0.153 4.202 4.340 0.024 0.000 0.208 23 L C 2.312 179.217 176.870 0.059 0.000 1.085 23 L CA 0.684 55.605 54.840 0.135 0.000 0.755 23 L CB -0.167 42.049 42.059 0.262 0.000 0.904 23 L HN -0.048 nan 8.230 nan 0.000 0.435 24 F N 1.515 121.278 119.950 -0.311 0.000 2.113 24 F HA -0.184 4.357 4.527 0.023 0.000 0.297 24 F C 2.133 177.726 175.800 -0.346 0.000 1.103 24 F CA 1.044 58.593 58.000 -0.752 0.000 1.248 24 F CB -0.108 38.411 39.000 -0.800 0.000 0.999 24 F HN -0.000 nan 8.300 nan 0.000 0.475 25 R N 0.365 120.778 120.500 -0.145 0.000 4.394 25 R HA 0.555 4.909 4.340 0.024 0.000 0.257 25 R C -0.006 176.216 176.300 -0.129 0.000 1.727 25 R CA 0.590 56.581 56.100 -0.182 0.000 1.497 25 R CB -0.167 30.133 30.300 -0.000 0.000 1.406 25 R HN 0.272 nan 8.270 nan 0.000 0.745 26 A N 0.108 122.829 122.820 -0.166 0.000 2.692 26 A HA 0.070 4.404 4.320 0.024 0.000 0.175 26 A C -0.621 176.904 177.584 -0.098 0.000 1.537 26 A CA -0.359 51.624 52.037 -0.091 0.000 1.134 26 A CB 0.475 19.456 19.000 -0.031 0.000 1.419 26 A HN 0.358 nan 8.150 nan 0.000 0.514 27 D N 1.885 122.183 120.400 -0.171 0.000 2.347 27 D HA 0.268 4.923 4.640 0.024 0.000 0.235 27 D C 0.694 176.899 176.300 -0.159 0.000 1.149 27 D CA -0.132 53.806 54.000 -0.104 0.000 0.850 27 D CB 0.893 41.674 40.800 -0.031 0.000 1.061 27 D HN 0.490 nan 8.370 nan 0.000 0.487 28 E N 2.700 122.846 120.200 -0.089 0.000 2.301 28 E HA 0.013 4.377 4.350 0.024 0.000 0.195 28 E C -0.421 176.141 176.600 -0.064 0.000 1.171 28 E CA -0.173 56.177 56.400 -0.083 0.000 1.142 28 E CB -0.074 29.594 29.700 -0.054 0.000 1.218 28 E HN 0.237 nan 8.360 nan 0.000 0.448 29 R N 1.192 121.654 120.500 -0.064 0.000 2.443 29 R HA 0.271 4.625 4.340 0.024 0.000 0.287 29 R C -2.456 173.829 176.300 -0.024 0.000 1.425 29 R CA -1.733 54.351 56.100 -0.027 0.000 1.300 29 R CB 0.900 31.201 30.300 0.002 0.000 1.129 29 R HN 0.003 nan 8.270 nan 0.000 0.577 30 P HA 0.048 nan 4.420 nan 0.000 0.271 30 P C 0.643 177.956 177.300 0.023 0.000 1.535 30 P CA 0.331 63.417 63.100 -0.024 0.000 0.820 30 P CB 0.327 32.009 31.700 -0.029 0.000 1.606 31 G N 0.197 109.027 108.800 0.050 0.000 3.189 31 G HA2 -0.019 3.956 3.960 0.024 0.000 0.225 31 G HA3 -0.019 3.956 3.960 0.024 0.000 0.225 31 G C 0.263 175.238 174.900 0.126 0.000 1.159 31 G CA -0.337 44.811 45.100 0.080 0.000 0.763 31 G HN 0.340 nan 8.290 nan 0.000 0.549 32 K N 0.339 120.821 120.400 0.136 0.000 2.298 32 K HA 0.533 4.868 4.320 0.024 0.000 0.280 32 K C -0.848 175.961 176.600 0.348 0.000 1.032 32 K CA -0.232 56.207 56.287 0.254 0.000 0.958 32 K CB 1.390 33.972 32.500 0.136 0.000 0.978 32 K HN -0.002 nan 8.250 nan 0.000 0.472 33 I N 2.239 123.051 120.570 0.404 0.000 2.466 33 I HA 0.164 4.349 4.170 0.024 0.000 0.289 33 I C -0.729 175.502 176.117 0.189 0.000 1.026 33 I CA -0.963 60.484 61.300 0.245 0.000 1.078 33 I CB 1.867 39.949 38.000 0.137 0.000 1.249 33 I HN 0.691 nan 8.210 nan 0.000 0.429 34 N N 7.023 125.603 118.700 -0.200 0.000 2.469 34 N HA 0.380 5.135 4.740 0.024 0.000 0.253 34 N C -0.112 175.251 175.510 -0.245 0.000 0.970 34 N CA -0.273 52.484 53.050 -0.489 0.000 0.940 34 N CB 1.455 39.128 38.487 -1.357 0.000 1.128 34 N HN 0.633 nan 8.380 nan 0.000 0.503 35 L N 1.831 122.996 121.223 -0.097 0.000 2.640 35 L HA 0.341 4.695 4.340 0.024 0.000 0.230 35 L C 1.675 178.523 176.870 -0.037 0.000 1.123 35 L CA -0.072 54.719 54.840 -0.080 0.000 0.900 35 L CB 0.591 42.617 42.059 -0.056 0.000 1.146 35 L HN 0.515 nan 8.230 nan 0.000 0.484 36 G N 0.311 109.092 108.800 -0.033 0.000 3.448 36 G HA2 0.132 4.107 3.960 0.024 0.000 0.261 36 G HA3 0.132 4.107 3.960 0.024 0.000 0.261 36 G C 1.320 176.222 174.900 0.004 0.000 1.173 36 G CA -0.246 44.866 45.100 0.020 0.000 0.835 36 G HN 0.423 nan 8.290 nan 0.000 0.534 37 I N -2.168 118.377 120.570 -0.041 0.000 2.286 37 I HA 0.118 4.302 4.170 0.024 0.000 0.248 37 I C 2.115 178.260 176.117 0.047 0.000 1.115 37 I CA 0.865 62.135 61.300 -0.049 0.000 1.392 37 I CB -0.260 37.665 38.000 -0.126 0.000 1.065 37 I HN 0.196 nan 8.210 nan 0.000 0.418 38 G N 0.935 109.870 108.800 0.224 0.000 2.189 38 G HA2 -0.244 3.731 3.960 0.024 0.000 0.267 38 G HA3 -0.244 3.731 3.960 0.024 0.000 0.267 38 G C 0.235 175.250 174.900 0.191 0.000 0.975 38 G CA 0.411 45.727 45.100 0.360 0.000 0.644 38 G HN 0.426 nan 8.290 nan 0.000 0.537 39 V N -0.648 119.267 119.914 0.001 0.000 3.074 39 V HA 0.703 4.837 4.120 0.024 0.000 0.314 39 V C -0.201 175.885 176.094 -0.014 0.000 1.117 39 V CA -1.250 60.985 62.300 -0.108 0.000 1.014 39 V CB 2.057 33.655 31.823 -0.375 0.000 1.057 39 V HN 0.374 nan 8.190 nan 0.000 0.438 40 Y N 2.552 122.867 120.300 0.024 0.000 2.304 40 Y HA 0.537 5.101 4.550 0.022 0.000 0.327 40 Y C 0.064 175.979 175.900 0.025 0.000 1.209 40 Y CA 0.114 58.244 58.100 0.051 0.000 1.299 40 Y CB 0.769 39.350 38.460 0.202 0.000 1.249 40 Y HN 0.513 nan 8.280 nan 0.000 0.519 41 K N 4.496 124.442 120.400 -0.756 0.000 2.422 41 K HA 0.212 4.547 4.320 0.024 0.000 0.251 41 K C -1.188 174.889 176.600 -0.872 0.000 0.933 41 K CA -1.044 54.908 56.287 -0.558 0.000 0.798 41 K CB 1.411 33.717 32.500 -0.324 0.000 1.238 41 K HN 0.776 nan 8.250 nan 0.000 0.428 42 D N 0.531 120.694 120.400 -0.396 0.000 2.440 42 D HA -0.012 4.642 4.640 0.024 0.000 0.269 42 D C 0.660 176.880 176.300 -0.133 0.000 1.249 42 D CA -0.187 53.701 54.000 -0.187 0.000 1.055 42 D CB 0.488 41.318 40.800 0.051 0.000 1.104 42 D HN 0.562 nan 8.370 nan 0.000 0.561 43 E N -1.615 118.556 120.200 -0.047 0.000 2.267 43 E HA -0.123 4.241 4.350 0.024 0.000 0.197 43 E C 1.031 177.611 176.600 -0.033 0.000 0.998 43 E CA 1.241 57.619 56.400 -0.037 0.000 0.830 43 E CB -0.044 29.651 29.700 -0.007 0.000 0.751 43 E HN 0.515 nan 8.360 nan 0.000 0.491 44 T N -1.109 113.430 114.554 -0.026 0.000 3.129 44 T HA 0.164 4.528 4.350 0.024 0.000 0.251 44 T C 1.042 175.725 174.700 -0.028 0.000 1.117 44 T CA 0.451 62.541 62.100 -0.016 0.000 1.034 44 T CB 0.562 69.430 68.868 0.000 0.000 0.968 44 T HN 0.322 nan 8.240 nan 0.000 0.526 45 G N 1.574 110.338 108.800 -0.060 0.000 2.221 45 G HA2 -0.251 3.723 3.960 0.024 0.000 0.265 45 G HA3 -0.251 3.723 3.960 0.024 0.000 0.265 45 G C -0.114 174.754 174.900 -0.054 0.000 1.041 45 G CA 0.102 45.159 45.100 -0.071 0.000 0.807 45 G HN 0.491 nan 8.290 nan 0.000 0.502 46 K N -0.285 120.088 120.400 -0.046 0.000 2.328 46 K HA 0.731 5.065 4.320 0.024 0.000 0.246 46 K C -0.019 176.584 176.600 0.006 0.000 0.955 46 K CA -0.424 55.857 56.287 -0.009 0.000 0.817 46 K CB 1.378 33.888 32.500 0.017 0.000 1.208 46 K HN -0.018 nan 8.250 nan 0.000 0.432 47 T N 4.487 119.065 114.554 0.040 0.000 3.145 47 T HA 0.370 4.734 4.350 0.024 0.000 0.362 47 T C -2.295 172.502 174.700 0.162 0.000 1.340 47 T CA -1.305 60.865 62.100 0.118 0.000 1.069 47 T CB 0.455 69.364 68.868 0.068 0.000 1.129 47 T HN 0.387 nan 8.240 nan 0.000 0.585 48 P HA 0.370 nan 4.420 nan 0.000 0.276 48 P C -0.420 176.980 177.300 0.167 0.000 1.252 48 P CA -0.785 62.403 63.100 0.147 0.000 0.802 48 P CB 0.594 32.371 31.700 0.130 0.000 1.035 49 V N 2.378 122.371 119.914 0.133 0.000 2.465 49 V HA 0.241 4.375 4.120 0.024 0.000 0.279 49 V C -0.193 175.970 176.094 0.114 0.000 1.045 49 V CA -0.702 61.676 62.300 0.131 0.000 0.938 49 V CB -0.064 31.826 31.823 0.112 0.000 0.986 49 V HN 0.304 nan 8.190 nan 0.000 0.467 50 L N 5.750 127.044 121.223 0.119 0.000 2.483 50 L HA 0.149 4.503 4.340 0.024 0.000 0.275 50 L C 1.865 178.787 176.870 0.087 0.000 1.220 50 L CA 0.116 55.019 54.840 0.103 0.000 0.833 50 L CB 0.590 42.723 42.059 0.123 0.000 1.102 50 L HN 0.799 nan 8.230 nan 0.000 0.490 51 T N -0.357 114.240 114.554 0.071 0.000 2.746 51 T HA -0.164 4.200 4.350 0.024 0.000 0.267 51 T C 1.920 176.657 174.700 0.062 0.000 1.039 51 T CA 1.751 63.886 62.100 0.058 0.000 1.142 51 T CB -0.113 68.780 68.868 0.042 0.000 0.866 51 T HN 0.857 nan 8.240 nan 0.000 0.444 52 S N 1.968 117.715 115.700 0.078 0.000 2.382 52 S HA -0.117 4.367 4.470 0.024 0.000 0.228 52 S C 2.345 176.986 174.600 0.069 0.000 1.027 52 S CA 1.256 59.505 58.200 0.082 0.000 0.991 52 S CB -1.030 62.253 63.200 0.139 0.000 0.823 52 S HN 0.524 nan 8.310 nan 0.000 0.469 53 V N 0.020 119.985 119.914 0.085 0.000 2.591 53 V HA 0.125 4.259 4.120 0.024 0.000 0.249 53 V C 2.151 178.277 176.094 0.054 0.000 1.053 53 V CA 1.264 63.599 62.300 0.059 0.000 1.068 53 V CB -0.725 31.143 31.823 0.076 0.000 0.689 53 V HN 0.317 nan 8.190 nan 0.000 0.462 54 K N 0.460 120.900 120.400 0.067 0.000 2.097 54 K HA -0.100 4.234 4.320 0.024 0.000 0.205 54 K C 2.289 178.926 176.600 0.063 0.000 1.050 54 K CA 1.695 58.023 56.287 0.067 0.000 0.938 54 K CB -0.178 32.361 32.500 0.064 0.000 0.718 54 K HN 0.517 nan 8.250 nan 0.000 0.442 55 K N 0.404 120.837 120.400 0.054 0.000 2.057 55 K HA -0.128 4.206 4.320 0.024 0.000 0.207 55 K C 2.184 178.823 176.600 0.065 0.000 1.049 55 K CA 1.261 57.579 56.287 0.052 0.000 0.931 55 K CB -0.155 32.364 32.500 0.032 0.000 0.714 55 K HN 0.099 nan 8.250 nan 0.000 0.440 56 A N 1.841 124.687 122.820 0.042 0.000 1.883 56 A HA -0.245 4.090 4.320 0.024 0.000 0.217 56 A C 1.935 179.572 177.584 0.089 0.000 1.186 56 A CA 1.722 53.783 52.037 0.039 0.000 0.624 56 A CB -0.470 18.515 19.000 -0.025 0.000 0.822 56 A HN 0.321 nan 8.150 nan 0.000 0.444 57 E N -1.207 119.033 120.200 0.066 0.000 2.150 57 E HA -0.233 4.131 4.350 0.024 0.000 0.193 57 E C 2.233 178.900 176.600 0.112 0.000 0.985 57 E CA 1.248 57.709 56.400 0.102 0.000 0.814 57 E CB -0.101 29.684 29.700 0.141 0.000 0.752 57 E HN 0.682 nan 8.360 nan 0.000 0.466 58 Q N 0.260 120.122 119.800 0.103 0.000 2.079 58 Q HA -0.209 4.145 4.340 0.024 0.000 0.200 58 Q C 1.814 177.871 176.000 0.095 0.000 0.974 58 Q CA 1.449 57.304 55.803 0.086 0.000 0.840 58 Q CB -0.470 28.316 28.738 0.080 0.000 0.898 58 Q HN 0.391 nan 8.270 nan 0.000 0.430 59 Y N 0.231 120.534 120.300 0.005 0.000 2.097 59 Y HA -0.224 4.337 4.550 0.018 0.000 0.282 59 Y C 1.742 177.640 175.900 -0.003 0.000 1.152 59 Y CA 1.992 60.091 58.100 -0.003 0.000 1.136 59 Y CB -0.344 38.109 38.460 -0.012 0.000 0.975 59 Y HN 0.159 nan 8.280 nan 0.000 0.498 60 L N -0.677 120.558 121.223 0.020 0.000 2.042 60 L HA -0.229 4.125 4.340 0.024 0.000 0.210 60 L C 2.464 179.287 176.870 -0.078 0.000 1.076 60 L CA 1.321 56.123 54.840 -0.063 0.000 0.749 60 L CB -0.771 41.309 42.059 0.035 0.000 0.893 60 L HN 0.352 nan 8.230 nan 0.000 0.432 61 L N -0.037 121.174 121.223 -0.019 0.000 2.083 61 L HA -0.213 4.142 4.340 0.024 0.000 0.209 61 L C 2.313 179.142 176.870 -0.068 0.000 1.083 61 L CA 1.797 56.623 54.840 -0.023 0.000 0.752 61 L CB -0.406 41.656 42.059 0.006 0.000 0.899 61 L HN 0.215 nan 8.230 nan 0.000 0.433 62 E N -0.924 119.213 120.200 -0.105 0.000 2.216 62 E HA -0.109 4.255 4.350 0.024 0.000 0.192 62 E C 1.254 177.745 176.600 -0.182 0.000 0.988 62 E CA 1.214 57.540 56.400 -0.123 0.000 0.834 62 E CB -0.007 29.625 29.700 -0.112 0.000 0.772 62 E HN 0.629 nan 8.360 nan 0.000 0.479 63 N N -0.255 118.273 118.700 -0.286 0.000 2.197 63 N HA 0.051 4.805 4.740 0.024 0.000 0.201 63 N C -0.088 175.312 175.510 -0.182 0.000 1.148 63 N CA -0.084 52.793 53.050 -0.288 0.000 0.883 63 N CB 0.805 38.970 38.487 -0.537 0.000 1.012 63 N HN 0.022 nan 8.380 nan 0.000 0.507 67 T N 0.567 115.097 114.554 -0.041 0.000 2.885 67 T HA 0.551 4.915 4.350 0.024 0.000 0.322 67 T C -1.380 173.289 174.700 -0.053 0.000 1.387 67 T CA -0.606 61.467 62.100 -0.046 0.000 1.041 67 T CB 1.734 70.579 68.868 -0.038 0.000 1.287 67 T HN -0.042 nan 8.240 nan 0.000 0.491 68 K N 2.615 122.971 120.400 -0.073 0.000 2.593 68 K HA 0.211 4.545 4.320 0.024 0.000 0.208 68 K C 0.619 177.134 176.600 -0.142 0.000 1.051 68 K CA -0.330 55.903 56.287 -0.090 0.000 1.111 68 K CB -0.101 32.341 32.500 -0.098 0.000 0.849 68 K HN 0.601 nan 8.250 nan 0.000 0.479 69 N N 0.825 119.452 118.700 -0.121 0.000 2.441 69 N HA -0.057 4.698 4.740 0.024 0.000 0.251 69 N C -0.561 174.892 175.510 -0.095 0.000 1.242 69 N CA -0.068 52.893 53.050 -0.149 0.000 0.898 69 N CB 0.409 38.862 38.487 -0.057 0.000 1.100 69 N HN -0.085 nan 8.380 nan 0.000 0.443 70 Y N 1.831 122.129 120.300 -0.004 0.000 2.904 70 Y HA -0.080 4.486 4.550 0.027 0.000 0.336 70 Y C 0.816 176.714 175.900 -0.003 0.000 1.263 70 Y CA 0.335 58.433 58.100 -0.002 0.000 1.547 70 Y CB 0.219 38.678 38.460 -0.003 0.000 1.272 70 Y HN 0.277 nan 8.280 nan 0.000 0.596 71 L N 2.559 123.888 121.223 0.177 0.000 2.466 71 L HA 0.389 4.743 4.340 0.024 0.000 0.257 71 L C 1.244 178.169 176.870 0.091 0.000 1.189 71 L CA -0.510 54.388 54.840 0.097 0.000 0.813 71 L CB 0.304 42.397 42.059 0.056 0.000 1.118 71 L HN 0.816 nan 8.230 nan 0.000 0.471 72 G N 0.130 108.965 108.800 0.058 0.000 2.636 72 G HA2 0.182 4.156 3.960 0.024 0.000 0.246 72 G HA3 0.182 4.156 3.960 0.024 0.000 0.246 72 G C 1.119 176.030 174.900 0.018 0.000 1.216 72 G CA -0.619 44.502 45.100 0.034 0.000 0.854 72 G HN 0.504 nan 8.290 nan 0.000 0.572 73 I N 1.183 121.737 120.570 -0.026 0.000 2.182 73 I HA -0.218 3.966 4.170 0.024 0.000 0.248 73 I C 2.170 178.277 176.117 -0.018 0.000 1.073 73 I CA 1.926 63.186 61.300 -0.066 0.000 1.335 73 I CB -0.870 37.050 38.000 -0.134 0.000 1.031 73 I HN 0.647 nan 8.210 nan 0.000 0.420 74 D N -0.095 120.326 120.400 0.035 0.000 2.328 74 D HA 0.282 4.937 4.640 0.024 0.000 0.221 74 D C 1.196 177.571 176.300 0.126 0.000 1.072 74 D CA 0.720 54.798 54.000 0.130 0.000 0.850 74 D CB -0.140 40.836 40.800 0.293 0.000 0.922 74 D HN 0.426 nan 8.370 nan 0.000 0.516 75 G N 1.000 109.841 108.800 0.067 0.000 2.632 75 G HA2 -0.226 3.748 3.960 0.024 0.000 0.224 75 G HA3 -0.226 3.748 3.960 0.024 0.000 0.224 75 G C -0.288 174.630 174.900 0.030 0.000 1.341 75 G CA -0.351 44.755 45.100 0.011 0.000 0.880 75 G HN 0.703 nan 8.290 nan 0.000 0.566 76 I N 1.143 121.706 120.570 -0.012 0.000 2.496 76 I HA 0.560 4.744 4.170 0.024 0.000 0.285 76 I C -0.418 175.759 176.117 0.101 0.000 1.080 76 I CA -1.439 59.881 61.300 0.033 0.000 1.404 76 I CB 1.438 39.438 38.000 0.000 0.000 1.403 76 I HN 0.363 nan 8.210 nan 0.000 0.539 77 P HA -0.085 nan 4.420 nan 0.000 0.230 77 P C 0.779 178.125 177.300 0.077 0.000 1.158 77 P CA 1.106 64.257 63.100 0.086 0.000 0.769 77 P CB 0.214 31.951 31.700 0.063 0.000 0.807 78 E N -1.112 119.132 120.200 0.073 0.000 2.122 78 E HA -0.087 4.277 4.350 0.024 0.000 0.190 78 E C 1.743 178.377 176.600 0.057 0.000 0.977 78 E CA 0.359 56.787 56.400 0.046 0.000 0.820 78 E CB -0.422 29.291 29.700 0.023 0.000 0.770 78 E HN 0.162 nan 8.360 nan 0.000 0.462 79 F N 1.377 121.291 119.950 -0.061 0.000 2.043 79 F HA -0.185 4.355 4.527 0.022 0.000 0.297 79 F C 2.176 177.957 175.800 -0.033 0.000 1.121 79 F CA 2.136 60.086 58.000 -0.083 0.000 1.199 79 F CB -0.567 38.381 39.000 -0.087 0.000 0.968 79 F HN -0.026 nan 8.300 nan 0.000 0.478 80 G N 0.079 109.005 108.800 0.210 0.000 2.471 80 G HA2 -0.226 3.748 3.960 0.024 0.000 0.219 80 G HA3 -0.226 3.748 3.960 0.024 0.000 0.219 80 G C 1.600 176.500 174.900 -0.000 0.000 1.125 80 G CA 0.713 45.870 45.100 0.095 0.000 0.775 80 G HN 0.540 nan 8.290 nan 0.000 0.548 81 R N -0.776 119.720 120.500 -0.006 0.000 2.100 81 R HA 0.101 4.455 4.340 0.024 0.000 0.220 81 R C 2.254 178.523 176.300 -0.052 0.000 1.091 81 R CA 1.097 57.188 56.100 -0.016 0.000 0.986 81 R CB -1.038 29.260 30.300 -0.004 0.000 0.888 81 R HN 0.185 nan 8.270 nan 0.000 0.444 82 C N 1.471 120.708 119.300 -0.105 0.000 2.429 82 C HA -0.072 4.402 4.460 0.024 0.000 0.277 82 C C 3.120 178.008 174.990 -0.170 0.000 1.262 82 C CA 1.570 60.502 59.018 -0.144 0.000 1.733 82 C CB -0.694 26.919 27.740 -0.211 0.000 2.010 82 C HN 0.760 nan 8.230 nan 0.000 0.483 83 T N 0.622 115.023 114.554 -0.254 0.000 2.951 83 T HA -0.180 4.185 4.350 0.024 0.000 0.268 83 T C 1.736 176.344 174.700 -0.152 0.000 1.073 83 T CA 1.699 63.692 62.100 -0.179 0.000 1.134 83 T CB -0.433 68.311 68.868 -0.206 0.000 0.884 83 T HN 0.821 nan 8.240 nan 0.000 0.479 84 Q N 0.130 119.870 119.800 -0.100 0.000 2.311 84 Q HA 0.081 4.436 4.340 0.024 0.000 0.203 84 Q C 2.124 178.116 176.000 -0.012 0.000 0.954 84 Q CA 0.908 56.671 55.803 -0.066 0.000 0.885 84 Q CB -0.244 28.591 28.738 0.162 0.000 0.963 84 Q HN 0.591 nan 8.270 nan 0.000 0.471 85 E N 1.252 121.448 120.200 -0.006 0.000 2.047 85 E HA -0.106 4.258 4.350 0.024 0.000 0.191 85 E C 2.060 178.651 176.600 -0.016 0.000 0.987 85 E CA 0.868 57.276 56.400 0.013 0.000 0.799 85 E CB -0.022 29.681 29.700 0.004 0.000 0.752 85 E HN 0.339 nan 8.360 nan 0.000 0.449 86 L N 0.402 121.600 121.223 -0.041 0.000 2.013 86 L HA -0.254 4.101 4.340 0.024 0.000 0.212 86 L C 2.321 179.153 176.870 -0.063 0.000 1.073 86 L CA 0.800 55.627 54.840 -0.020 0.000 0.753 86 L CB -0.189 41.875 42.059 0.008 0.000 0.890 86 L HN 0.218 nan 8.230 nan 0.000 0.432 87 L N -1.547 119.547 121.223 -0.215 0.000 2.044 87 L HA -0.150 4.205 4.340 0.024 0.000 0.205 87 L C 1.905 178.489 176.870 -0.477 0.000 1.075 87 L CA 1.906 56.494 54.840 -0.420 0.000 0.747 87 L CB -0.685 40.833 42.059 -0.902 0.000 0.903 87 L HN 0.104 nan 8.230 nan 0.000 0.435 88 F N -0.844 119.098 119.950 -0.014 0.000 2.721 88 F HA 0.546 5.088 4.527 0.025 0.000 0.301 88 F C 1.227 177.012 175.800 -0.025 0.000 1.096 88 F CA -0.040 57.936 58.000 -0.040 0.000 1.308 88 F CB -0.482 38.491 39.000 -0.045 0.000 1.086 88 F HN 0.059 nan 8.300 nan 0.000 0.587 89 G N 0.550 109.415 108.800 0.108 0.000 2.788 89 G HA2 -0.201 3.773 3.960 0.024 0.000 0.686 89 G HA3 -0.201 3.773 3.960 0.024 0.000 0.686 89 G C 0.248 175.192 174.900 0.073 0.000 1.147 89 G CA -0.786 44.359 45.100 0.075 0.000 0.755 89 G HN 0.100 nan 8.290 nan 0.000 0.634 90 K N 0.329 120.757 120.400 0.045 0.000 2.281 90 K HA 0.105 4.439 4.320 0.024 0.000 0.203 90 K C 2.101 178.721 176.600 0.033 0.000 1.046 90 K CA 1.879 58.187 56.287 0.036 0.000 0.938 90 K CB 0.072 32.586 32.500 0.023 0.000 0.737 90 K HN 1.016 nan 8.250 nan 0.000 0.458 91 G N -0.368 108.452 108.800 0.032 0.000 4.250 91 G HA2 0.065 4.039 3.960 0.024 0.000 0.295 91 G HA3 0.065 4.039 3.960 0.024 0.000 0.295 91 G C -0.634 174.279 174.900 0.022 0.000 1.081 91 G CA -0.401 44.713 45.100 0.022 0.000 0.854 91 G HN 0.110 nan 8.290 nan 0.000 0.524 92 S N 0.232 115.956 115.700 0.039 0.000 2.560 92 S HA 0.405 4.889 4.470 0.024 0.000 0.284 92 S C 1.947 176.538 174.600 -0.015 0.000 1.327 92 S CA 0.344 58.559 58.200 0.024 0.000 1.055 92 S CB 1.001 64.240 63.200 0.064 0.000 0.868 92 S HN 0.655 nan 8.310 nan 0.000 0.506 93 A N 5.379 128.178 122.820 -0.035 0.000 1.940 93 A HA -0.064 4.270 4.320 0.024 0.000 0.219 93 A C 2.060 179.595 177.584 -0.082 0.000 1.176 93 A CA 1.522 53.529 52.037 -0.049 0.000 0.631 93 A CB -0.764 18.206 19.000 -0.050 0.000 0.814 93 A HN 0.889 nan 8.150 nan 0.000 0.446 94 L N -0.868 120.269 121.223 -0.143 0.000 2.083 94 L HA -0.195 4.160 4.340 0.024 0.000 0.209 94 L C 2.448 179.229 176.870 -0.150 0.000 1.083 94 L CA 1.344 56.051 54.840 -0.223 0.000 0.752 94 L CB -0.617 41.140 42.059 -0.504 0.000 0.899 94 L HN 0.408 nan 8.230 nan 0.000 0.433 95 I N -0.166 120.355 120.570 -0.081 0.000 2.277 95 I HA -0.222 3.962 4.170 0.024 0.000 0.243 95 I C 1.969 178.070 176.117 -0.026 0.000 1.094 95 I CA 1.387 62.673 61.300 -0.023 0.000 1.393 95 I CB -0.377 37.644 38.000 0.034 0.000 1.078 95 I HN 0.307 nan 8.210 nan 0.000 0.417 96 N N 0.722 119.407 118.700 -0.025 0.000 2.223 96 N HA -0.161 4.593 4.740 0.024 0.000 0.185 96 N C 0.533 176.027 175.510 -0.026 0.000 1.016 96 N CA 0.950 53.988 53.050 -0.020 0.000 0.863 96 N CB 0.024 38.501 38.487 -0.016 0.000 0.983 96 N HN 0.270 nan 8.380 nan 0.000 0.429 97 D N 0.652 121.029 120.400 -0.038 0.000 2.325 97 D HA 0.041 4.695 4.640 0.024 0.000 0.225 97 D C -0.220 176.056 176.300 -0.041 0.000 1.096 97 D CA 0.186 54.164 54.000 -0.037 0.000 0.844 97 D CB 0.154 40.928 40.800 -0.042 0.000 0.925 97 D HN -0.117 nan 8.370 nan 0.000 0.513 98 K N 1.003 121.376 120.400 -0.045 0.000 4.166 98 K HA -0.237 4.097 4.320 0.024 0.000 0.276 98 K C 0.505 177.068 176.600 -0.060 0.000 0.808 98 K CA 0.332 56.588 56.287 -0.051 0.000 0.717 98 K CB -1.336 31.142 32.500 -0.037 0.000 1.774 98 K HN 0.550 nan 8.250 nan 0.000 0.427 99 R N -0.898 119.553 120.500 -0.081 0.000 2.509 99 R HA 0.428 4.783 4.340 0.024 0.000 0.300 99 R C 0.392 176.630 176.300 -0.104 0.000 0.985 99 R CA -0.029 56.023 56.100 -0.080 0.000 1.092 99 R CB 0.784 31.039 30.300 -0.074 0.000 1.237 99 R HN 0.188 nan 8.270 nan 0.000 0.546 100 A N 1.576 124.325 122.820 -0.118 0.000 2.355 100 A HA 0.749 5.083 4.320 0.024 0.000 0.317 100 A C -0.860 176.630 177.584 -0.158 0.000 1.094 100 A CA -0.884 51.089 52.037 -0.106 0.000 0.764 100 A CB 1.260 20.226 19.000 -0.056 0.000 1.230 100 A HN 0.081 nan 8.150 nan 0.000 0.448 101 R N 0.988 121.328 120.500 -0.267 0.000 2.575 101 R HA 0.617 4.971 4.340 0.024 0.000 0.293 101 R C -1.299 174.717 176.300 -0.473 0.000 0.983 101 R CA -0.383 55.365 56.100 -0.587 0.000 0.887 101 R CB 1.841 31.361 30.300 -1.299 0.000 1.184 101 R HN 0.710 nan 8.270 nan 0.000 0.445 102 T N 1.466 115.850 114.554 -0.283 0.000 2.779 102 T HA 0.611 4.975 4.350 0.024 0.000 0.280 102 T C -0.473 174.362 174.700 0.225 0.000 0.987 102 T CA -0.519 61.590 62.100 0.015 0.000 0.966 102 T CB 1.612 70.523 68.868 0.073 0.000 0.933 102 T HN 0.575 nan 8.240 nan 0.000 0.442 103 A N 3.386 126.432 122.820 0.377 0.000 2.288 103 A HA 0.528 4.862 4.320 0.024 0.000 0.320 103 A C 0.155 177.902 177.584 0.272 0.000 1.217 103 A CA -0.707 51.562 52.037 0.386 0.000 0.840 103 A CB 0.662 19.855 19.000 0.321 0.000 1.179 103 A HN 0.783 nan 8.150 nan 0.000 0.504 104 Q N 1.933 121.860 119.800 0.211 0.000 2.297 104 Q HA 0.352 4.707 4.340 0.024 0.000 0.267 104 Q C -0.083 175.957 176.000 0.066 0.000 1.006 104 Q CA 0.390 56.241 55.803 0.081 0.000 0.896 104 Q CB 0.425 29.046 28.738 -0.196 0.000 1.186 104 Q HN 0.820 nan 8.270 nan 0.000 0.392 105 T N 0.857 115.441 114.554 0.050 0.000 2.930 105 T HA 0.530 4.894 4.350 0.024 0.000 0.290 105 T C -2.562 172.056 174.700 -0.137 0.000 1.052 105 T CA -2.148 59.960 62.100 0.013 0.000 1.017 105 T CB 1.645 70.566 68.868 0.087 0.000 1.137 105 T HN 0.477 nan 8.240 nan 0.000 0.511 106 P HA 0.258 nan 4.420 nan 0.000 0.240 106 P C 0.909 178.127 177.300 -0.136 0.000 1.594 106 P CA 0.958 63.892 63.100 -0.277 0.000 1.184 106 P CB -1.049 30.377 31.700 -0.455 0.000 1.915 107 G N 2.170 110.924 108.800 -0.077 0.000 2.782 107 G HA2 -0.180 3.794 3.960 0.024 0.000 0.228 107 G HA3 -0.180 3.794 3.960 0.024 0.000 0.228 107 G C 0.965 175.841 174.900 -0.041 0.000 1.372 107 G CA -0.443 44.632 45.100 -0.042 0.000 0.862 107 G HN 0.409 nan 8.290 nan 0.000 0.547 108 G N -1.527 107.229 108.800 -0.074 0.000 2.422 108 G HA2 0.068 4.043 3.960 0.024 0.000 0.218 108 G HA3 0.068 4.043 3.960 0.024 0.000 0.218 108 G C 1.872 176.746 174.900 -0.044 0.000 1.146 108 G CA 2.407 47.449 45.100 -0.096 0.000 0.769 108 G HN 1.298 nan 8.290 nan 0.000 0.547 109 T N 1.046 115.598 114.554 -0.004 0.000 2.746 109 T HA -0.038 4.326 4.350 0.024 0.000 0.267 109 T C 2.511 177.235 174.700 0.040 0.000 1.039 109 T CA 1.360 63.517 62.100 0.095 0.000 1.142 109 T CB -0.576 68.387 68.868 0.157 0.000 0.866 109 T HN 0.339 nan 8.240 nan 0.000 0.444 110 G N 1.324 110.126 108.800 0.002 0.000 2.440 110 G HA2 -0.096 3.879 3.960 0.024 0.000 0.218 110 G HA3 -0.096 3.879 3.960 0.024 0.000 0.218 110 G C 1.858 176.787 174.900 0.049 0.000 1.154 110 G CA 0.939 46.034 45.100 -0.008 0.000 0.767 110 G HN 0.589 nan 8.290 nan 0.000 0.552 111 A N 0.449 123.298 122.820 0.048 0.000 1.940 111 A HA 0.061 4.395 4.320 0.024 0.000 0.219 111 A C 2.449 180.091 177.584 0.098 0.000 1.176 111 A CA 1.397 53.486 52.037 0.086 0.000 0.631 111 A CB -0.380 18.666 19.000 0.075 0.000 0.814 111 A HN 0.373 nan 8.150 nan 0.000 0.446 112 L N -1.355 119.910 121.223 0.070 0.000 2.109 112 L HA -0.121 4.233 4.340 0.024 0.000 0.207 112 L C 2.724 179.571 176.870 -0.038 0.000 1.086 112 L CA 1.476 56.338 54.840 0.037 0.000 0.760 112 L CB -0.359 41.703 42.059 0.005 0.000 0.910 112 L HN 0.382 nan 8.230 nan 0.000 0.437 113 R N 0.755 121.240 120.500 -0.026 0.000 2.092 113 R HA -0.128 4.226 4.340 0.024 0.000 0.231 113 R C 2.105 178.446 176.300 0.069 0.000 1.119 113 R CA 2.054 58.144 56.100 -0.017 0.000 0.970 113 R CB -0.912 29.393 30.300 0.008 0.000 0.864 113 R HN 0.343 nan 8.270 nan 0.000 0.440 114 V N -1.423 118.560 119.914 0.115 0.000 2.453 114 V HA 0.062 4.197 4.120 0.024 0.000 0.247 114 V C 2.149 178.354 176.094 0.185 0.000 1.048 114 V CA 1.547 63.934 62.300 0.146 0.000 1.049 114 V CB -1.139 30.783 31.823 0.165 0.000 0.672 114 V HN 0.308 nan 8.190 nan 0.000 0.457 115 A N 0.922 123.862 122.820 0.200 0.000 1.877 115 A HA 0.082 4.416 4.320 0.024 0.000 0.216 115 A C 2.535 180.319 177.584 0.334 0.000 1.186 115 A CA 2.403 54.615 52.037 0.292 0.000 0.620 115 A CB -1.176 17.995 19.000 0.284 0.000 0.822 115 A HN 0.981 nan 8.150 nan 0.000 0.443 116 A N 0.026 123.003 122.820 0.261 0.000 1.902 116 A HA -0.201 4.133 4.320 0.024 0.000 0.217 116 A C 1.792 179.490 177.584 0.191 0.000 1.181 116 A CA 1.938 54.135 52.037 0.267 0.000 0.623 116 A CB -0.580 18.513 19.000 0.155 0.000 0.818 116 A HN 0.481 nan 8.150 nan 0.000 0.443 117 D N -1.102 119.393 120.400 0.157 0.000 2.117 117 D HA -0.118 4.536 4.640 0.024 0.000 0.198 117 D C 1.683 178.074 176.300 0.151 0.000 0.982 117 D CA 1.361 55.436 54.000 0.125 0.000 0.828 117 D CB -0.506 40.355 40.800 0.102 0.000 0.967 117 D HN 0.536 nan 8.370 nan 0.000 0.464 118 F N 1.168 121.157 119.950 0.065 0.000 2.095 118 F HA -0.225 4.317 4.527 0.025 0.000 0.298 118 F C 1.988 177.835 175.800 0.077 0.000 1.104 118 F CA 0.982 59.019 58.000 0.062 0.000 1.232 118 F CB -0.100 38.944 39.000 0.075 0.000 0.987 118 F HN -0.138 nan 8.300 nan 0.000 0.475 119 L N 1.012 122.196 121.223 -0.065 0.000 1.994 119 L HA -0.107 4.247 4.340 0.024 0.000 0.208 119 L C 2.798 179.596 176.870 -0.119 0.000 1.071 119 L CA 2.021 56.762 54.840 -0.165 0.000 0.745 119 L CB -1.781 40.329 42.059 0.085 0.000 0.892 119 L HN 0.289 nan 8.230 nan 0.000 0.431 120 A N -1.141 121.672 122.820 -0.012 0.000 1.972 120 A HA -0.173 4.161 4.320 0.024 0.000 0.219 120 A C 2.144 179.706 177.584 -0.036 0.000 1.169 120 A CA 1.489 53.524 52.037 -0.004 0.000 0.635 120 A CB -0.296 18.727 19.000 0.037 0.000 0.810 120 A HN 0.312 nan 8.150 nan 0.000 0.446 121 K N -0.333 120.033 120.400 -0.056 0.000 2.284 121 K HA 0.117 4.451 4.320 0.024 0.000 0.198 121 K C 0.785 177.328 176.600 -0.096 0.000 1.048 121 K CA 0.680 56.937 56.287 -0.051 0.000 0.987 121 K CB -0.205 32.286 32.500 -0.016 0.000 0.800 121 K HN 0.515 nan 8.250 nan 0.000 0.486 122 N N 0.753 119.326 118.700 -0.211 0.000 2.197 122 N HA -0.000 4.754 4.740 0.024 0.000 0.201 122 N C 0.533 175.911 175.510 -0.222 0.000 1.148 122 N CA 0.328 53.236 53.050 -0.237 0.000 0.883 122 N CB 1.232 39.492 38.487 -0.379 0.000 1.012 122 N HN 0.294 nan 8.380 nan 0.000 0.507 123 T N -1.969 112.460 114.554 -0.209 0.000 2.724 123 T HA 0.321 4.685 4.350 0.024 0.000 0.274 123 T C 0.508 175.173 174.700 -0.058 0.000 0.984 123 T CA -0.582 61.445 62.100 -0.122 0.000 1.024 123 T CB 1.448 70.237 68.868 -0.131 0.000 1.320 123 T HN -0.068 nan 8.240 nan 0.000 0.555 124 S N 0.134 115.823 115.700 -0.018 0.000 2.537 124 S HA 0.417 4.902 4.470 0.024 0.000 0.246 124 S C 0.557 175.168 174.600 0.018 0.000 1.036 124 S CA -0.349 57.852 58.200 0.002 0.000 1.041 124 S CB -1.164 62.045 63.200 0.016 0.000 0.799 124 S HN 1.115 nan 8.310 nan 0.000 0.456 125 V N -0.942 118.981 119.914 0.014 0.000 2.732 125 V HA 0.666 4.800 4.120 0.024 0.000 0.297 125 V C -0.288 175.819 176.094 0.021 0.000 1.060 125 V CA -0.562 61.758 62.300 0.033 0.000 1.038 125 V CB 1.072 32.919 31.823 0.040 0.000 1.003 125 V HN 0.273 nan 8.190 nan 0.000 0.481 134 W N 3.666 124.796 121.300 -0.283 0.000 2.349 134 W HA 0.763 5.437 4.660 0.023 0.000 0.309 134 W C -0.226 176.206 176.519 -0.146 0.000 1.083 134 W CA -0.405 56.842 57.345 -0.164 0.000 1.224 134 W CB 1.782 31.143 29.460 -0.164 0.000 1.256 134 W HN 0.389 nan 8.180 nan 0.000 0.461 135 V N 3.479 123.352 119.914 -0.067 0.000 2.715 135 V HA 0.419 4.553 4.120 0.024 0.000 0.310 135 V C 0.171 175.901 176.094 -0.606 0.000 1.054 135 V CA -1.042 61.110 62.300 -0.247 0.000 0.928 135 V CB 2.027 33.738 31.823 -0.187 0.000 1.007 135 V HN 0.548 nan 8.190 nan 0.000 0.437 136 S N 2.697 117.897 115.700 -0.832 0.000 2.585 136 S HA 0.262 4.747 4.470 0.024 0.000 0.273 136 S C -0.222 174.161 174.600 -0.362 0.000 1.339 136 S CA -0.431 57.152 58.200 -1.029 0.000 1.028 136 S CB 0.542 63.313 63.200 -0.716 0.000 0.906 136 S HN 0.750 nan 8.310 nan 0.000 0.528 137 N N 2.758 121.347 118.700 -0.186 0.000 2.444 137 N HA 0.485 5.239 4.740 0.024 0.000 0.262 137 N C -2.509 173.081 175.510 0.134 0.000 0.974 137 N CA -2.001 51.050 53.050 0.001 0.000 0.933 137 N CB 1.096 39.605 38.487 0.035 0.000 1.137 137 N HN 0.442 nan 8.380 nan 0.000 0.498 138 P HA 0.287 nan 4.420 nan 0.000 0.278 138 P C -0.764 176.591 177.300 0.091 0.000 1.266 138 P CA -0.434 62.747 63.100 0.134 0.000 0.807 138 P CB 1.461 33.295 31.700 0.223 0.000 1.094 139 S N -1.136 114.606 115.700 0.069 0.000 2.685 139 S HA 0.415 4.899 4.470 0.024 0.000 0.282 139 S C -1.756 172.936 174.600 0.154 0.000 1.159 139 S CA -0.697 57.574 58.200 0.118 0.000 0.833 139 S CB 0.268 63.636 63.200 0.280 0.000 1.151 139 S HN 0.477 nan 8.310 nan 0.000 0.485 140 W N 4.732 126.047 121.300 0.025 0.000 2.417 140 W HA 0.271 4.946 4.660 0.024 0.000 0.332 140 W C -1.740 174.656 176.519 -0.205 0.000 1.413 140 W CA -1.498 55.733 57.345 -0.190 0.000 1.299 140 W CB 0.397 29.649 29.460 -0.346 0.000 1.304 140 W HN 0.503 nan 8.180 nan 0.000 0.565 141 P HA -0.279 nan 4.420 nan 0.000 0.216 141 P C 1.112 178.057 177.300 -0.591 0.000 1.150 141 P CA 1.936 64.773 63.100 -0.439 0.000 0.837 141 P CB 0.192 31.690 31.700 -0.337 0.000 0.786 142 N N -0.782 117.228 118.700 -1.150 0.000 2.609 142 N HA -0.131 4.623 4.740 0.024 0.000 0.190 142 N C 1.599 176.715 175.510 -0.657 0.000 1.157 142 N CA 0.522 52.979 53.050 -0.988 0.000 0.918 142 N CB -0.852 36.821 38.487 -1.357 0.000 0.978 142 N HN 0.292 nan 8.380 nan 0.000 0.448 143 H N -0.361 118.467 119.070 -0.403 0.000 2.290 143 H HA -0.102 4.468 4.556 0.024 0.000 0.298 143 H C 1.992 177.370 175.328 0.082 0.000 1.087 143 H CA 1.527 57.584 56.048 0.015 0.000 1.291 143 H CB 0.152 30.041 29.762 0.211 0.000 1.369 143 H HN 0.172 nan 8.280 nan 0.000 0.492 144 K N 0.584 121.062 120.400 0.130 0.000 2.032 144 K HA -0.162 4.172 4.320 0.024 0.000 0.209 144 K C 2.313 178.938 176.600 0.042 0.000 1.048 144 K CA 1.749 58.095 56.287 0.097 0.000 0.927 144 K CB 0.015 32.517 32.500 0.004 0.000 0.712 144 K HN 0.171 nan 8.250 nan 0.000 0.441 145 S N 0.562 116.227 115.700 -0.058 0.000 2.370 145 S HA -0.137 4.347 4.470 0.024 0.000 0.226 145 S C 2.042 176.588 174.600 -0.090 0.000 1.033 145 S CA 1.454 59.605 58.200 -0.081 0.000 1.011 145 S CB -0.334 62.786 63.200 -0.132 0.000 0.852 145 S HN 0.124 nan 8.310 nan 0.000 0.457 146 V N 1.167 120.982 119.914 -0.165 0.000 2.261 146 V HA -0.165 3.969 4.120 0.024 0.000 0.246 146 V C 1.964 177.902 176.094 -0.260 0.000 1.047 146 V CA 1.820 63.963 62.300 -0.262 0.000 1.015 146 V CB -0.842 30.729 31.823 -0.420 0.000 0.642 146 V HN 0.448 nan 8.190 nan 0.000 0.446 147 F N 0.408 120.375 119.950 0.028 0.000 2.186 147 F HA -0.111 4.431 4.527 0.025 0.000 0.299 147 F C 2.292 178.090 175.800 -0.005 0.000 1.090 147 F CA 1.768 59.777 58.000 0.016 0.000 1.307 147 F CB -0.613 38.388 39.000 0.000 0.000 1.019 147 F HN 0.176 nan 8.300 nan 0.000 0.489 148 N N -0.123 118.661 118.700 0.140 0.000 2.166 148 N HA -0.179 4.576 4.740 0.024 0.000 0.186 148 N C 1.950 177.481 175.510 0.034 0.000 1.019 148 N CA 1.293 54.381 53.050 0.063 0.000 0.856 148 N CB -0.160 38.342 38.487 0.024 0.000 0.993 148 N HN 0.232 nan 8.380 nan 0.000 0.426 149 S N 0.288 115.996 115.700 0.013 0.000 2.447 149 S HA 0.020 4.505 4.470 0.024 0.000 0.233 149 S C 1.752 176.362 174.600 0.017 0.000 1.006 149 S CA 0.731 58.932 58.200 0.002 0.000 0.957 149 S CB -0.004 63.185 63.200 -0.019 0.000 0.773 149 S HN 0.300 nan 8.310 nan 0.000 0.507 150 A N 0.497 123.340 122.820 0.037 0.000 2.275 150 A HA 0.609 4.943 4.320 0.024 0.000 0.212 150 A C 1.645 179.262 177.584 0.054 0.000 1.201 150 A CA 0.373 52.441 52.037 0.051 0.000 0.843 150 A CB -0.968 18.079 19.000 0.078 0.000 0.873 150 A HN 1.482 nan 8.150 nan 0.000 0.492 151 G N -1.620 107.209 108.800 0.049 0.000 2.157 151 G HA2 -0.187 3.787 3.960 0.024 0.000 0.248 151 G HA3 -0.187 3.787 3.960 0.024 0.000 0.248 151 G C 0.003 174.926 174.900 0.040 0.000 0.979 151 G CA 0.379 45.500 45.100 0.035 0.000 0.650 151 G HN 0.358 nan 8.290 nan 0.000 0.529 155 V N 2.861 122.667 119.914 -0.180 0.000 2.394 155 V HA 0.535 4.670 4.120 0.024 0.000 0.282 155 V C 0.366 176.238 176.094 -0.370 0.000 1.031 155 V CA -0.490 61.652 62.300 -0.263 0.000 0.881 155 V CB 1.275 33.022 31.823 -0.126 0.000 0.982 155 V HN 0.384 nan 8.190 nan 0.000 0.451 156 R N 3.141 123.263 120.500 -0.630 0.000 2.832 156 R HA 0.670 5.025 4.340 0.024 0.000 0.271 156 R C -0.794 175.145 176.300 -0.602 0.000 0.996 156 R CA -0.808 54.817 56.100 -0.791 0.000 0.977 156 R CB 2.721 32.081 30.300 -1.568 0.000 1.168 156 R HN 0.900 nan 8.270 nan 0.000 0.482 157 E N 1.205 121.215 120.200 -0.316 0.000 2.312 157 E HA 0.338 4.702 4.350 0.024 0.000 0.267 157 E C -1.283 175.475 176.600 0.263 0.000 0.894 157 E CA -0.956 55.413 56.400 -0.051 0.000 0.773 157 E CB 1.627 31.270 29.700 -0.096 0.000 1.241 157 E HN 0.496 nan 8.360 nan 0.000 0.432 158 Y N -0.061 120.398 120.300 0.265 0.000 2.487 158 Y HA 0.763 5.327 4.550 0.024 0.000 0.337 158 Y C -0.289 175.718 175.900 0.179 0.000 1.076 158 Y CA -1.495 56.753 58.100 0.246 0.000 1.115 158 Y CB 0.935 39.502 38.460 0.179 0.000 1.235 158 Y HN 0.678 nan 8.280 nan 0.000 0.468 159 A N 2.586 125.615 122.820 0.347 0.000 2.407 159 A HA 0.397 4.731 4.320 0.024 0.000 0.248 159 A C -0.749 177.056 177.584 0.369 0.000 1.082 159 A CA 0.249 52.437 52.037 0.251 0.000 0.785 159 A CB -0.112 18.977 19.000 0.148 0.000 1.020 159 A HN 1.085 nan 8.150 nan 0.000 0.489 160 Y N 0.456 120.839 120.300 0.138 0.000 3.315 160 Y HA 0.198 4.763 4.550 0.024 0.000 0.189 160 Y C -0.305 175.682 175.900 0.144 0.000 0.984 160 Y CA 0.040 58.227 58.100 0.145 0.000 1.679 160 Y CB 0.165 38.672 38.460 0.077 0.000 1.450 160 Y HN 0.666 nan 8.280 nan 0.000 0.351 161 Y N 3.230 123.656 120.300 0.209 0.000 2.316 161 Y HA 0.389 4.953 4.550 0.025 0.000 0.331 161 Y C -0.673 175.240 175.900 0.023 0.000 1.083 161 Y CA -1.186 56.987 58.100 0.121 0.000 1.206 161 Y CB 0.708 39.309 38.460 0.234 0.000 1.195 161 Y HN 0.162 nan 8.280 nan 0.000 0.497 162 D N 4.957 125.039 120.400 -0.530 0.000 2.396 162 D HA 0.318 4.973 4.640 0.024 0.000 0.225 162 D C 0.630 176.326 176.300 -1.007 0.000 1.121 162 D CA 0.234 53.901 54.000 -0.555 0.000 0.853 162 D CB 1.296 41.901 40.800 -0.324 0.000 1.043 162 D HN 0.774 nan 8.370 nan 0.000 0.500 163 A N 4.097 126.372 122.820 -0.908 0.000 1.908 163 A HA -0.228 4.106 4.320 0.024 0.000 0.218 163 A C 1.871 178.976 177.584 -0.798 0.000 1.181 163 A CA 2.026 53.577 52.037 -0.809 0.000 0.627 163 A CB -0.463 18.297 19.000 -0.400 0.000 0.818 163 A HN 0.662 nan 8.150 nan 0.000 0.445 164 E N 0.775 120.630 120.200 -0.575 0.000 2.001 164 E HA -0.199 4.166 4.350 0.024 0.000 0.195 164 E C 1.367 177.609 176.600 -0.596 0.000 1.002 164 E CA 2.102 58.210 56.400 -0.486 0.000 0.819 164 E CB -0.646 28.885 29.700 -0.281 0.000 0.769 164 E HN 0.547 nan 8.360 nan 0.000 0.454 165 N N -0.537 117.910 118.700 -0.423 0.000 2.515 165 N HA 0.030 4.784 4.740 0.024 0.000 0.185 165 N C -0.705 174.668 175.510 -0.227 0.000 1.109 165 N CA 0.866 53.760 53.050 -0.260 0.000 0.903 165 N CB -0.125 38.281 38.487 -0.134 0.000 0.969 165 N HN 0.359 nan 8.380 nan 0.000 0.450 166 H N -1.674 117.232 119.070 -0.274 0.000 2.750 166 H HA -0.162 4.408 4.556 0.024 0.000 0.327 166 H C -0.205 175.147 175.328 0.040 0.000 1.199 166 H CA 1.018 56.958 56.048 -0.181 0.000 1.149 166 H CB -1.712 27.751 29.762 -0.499 0.000 1.543 166 H HN 0.109 nan 8.280 nan 0.000 0.427 167 T N -0.777 113.790 114.554 0.021 0.000 2.681 167 T HA 0.459 4.824 4.350 0.024 0.000 0.296 167 T C -0.883 173.832 174.700 0.024 0.000 1.157 167 T CA -0.915 61.228 62.100 0.073 0.000 1.025 167 T CB 1.377 70.255 68.868 0.016 0.000 1.441 167 T HN 0.253 nan 8.240 nan 0.000 0.504 168 L N 2.815 124.015 121.223 -0.038 0.000 2.325 168 L HA 0.330 4.684 4.340 0.024 0.000 0.284 168 L C -0.319 176.484 176.870 -0.111 0.000 1.089 168 L CA -0.172 54.560 54.840 -0.180 0.000 0.836 168 L CB 0.558 42.461 42.059 -0.259 0.000 1.184 168 L HN 0.666 nan 8.230 nan 0.000 0.444 169 D N 4.410 124.742 120.400 -0.114 0.000 2.551 169 D HA -0.074 4.580 4.640 0.024 0.000 0.223 169 D C 0.996 177.294 176.300 -0.003 0.000 1.144 169 D CA 0.077 54.045 54.000 -0.053 0.000 1.025 169 D CB -0.003 40.755 40.800 -0.070 0.000 1.085 169 D HN 0.508 nan 8.370 nan 0.000 0.506 170 F N 1.467 121.335 119.950 -0.137 0.000 2.161 170 F HA -0.240 4.301 4.527 0.024 0.000 0.300 170 F C 1.675 177.441 175.800 -0.056 0.000 1.089 170 F CA 1.214 59.148 58.000 -0.111 0.000 1.282 170 F CB 0.518 39.458 39.000 -0.101 0.000 1.010 170 F HN 0.194 nan 8.300 nan 0.000 0.485 171 D N 0.227 120.594 120.400 -0.057 0.000 2.149 171 D HA -0.113 4.541 4.640 0.024 0.000 0.201 171 D C 2.314 178.535 176.300 -0.131 0.000 0.972 171 D CA 1.249 55.172 54.000 -0.128 0.000 0.835 171 D CB -0.480 40.299 40.800 -0.036 0.000 0.966 171 D HN 0.380 nan 8.370 nan 0.000 0.476 172 A N 1.010 123.783 122.820 -0.078 0.000 1.969 172 A HA -0.081 4.253 4.320 0.024 0.000 0.218 172 A C 2.238 179.797 177.584 -0.041 0.000 1.169 172 A CA 0.591 52.602 52.037 -0.044 0.000 0.635 172 A CB -0.664 18.328 19.000 -0.013 0.000 0.810 172 A HN 0.230 nan 8.150 nan 0.000 0.445 173 L N -0.382 120.797 121.223 -0.073 0.000 1.961 173 L HA -0.163 4.191 4.340 0.024 0.000 0.210 173 L C 2.437 179.197 176.870 -0.182 0.000 1.072 173 L CA 1.763 56.572 54.840 -0.051 0.000 0.749 173 L CB -0.286 41.724 42.059 -0.081 0.000 0.889 173 L HN 0.395 nan 8.230 nan 0.000 0.432 174 I N 0.227 120.586 120.570 -0.352 0.000 2.264 174 I HA -0.321 3.863 4.170 0.024 0.000 0.248 174 I C 2.026 178.044 176.117 -0.164 0.000 1.111 174 I CA 1.124 62.245 61.300 -0.299 0.000 1.382 174 I CB -0.446 37.293 38.000 -0.435 0.000 1.060 174 I HN 0.459 nan 8.210 nan 0.000 0.418 175 N N 0.539 119.159 118.700 -0.132 0.000 2.171 175 N HA -0.106 4.648 4.740 0.024 0.000 0.184 175 N C 1.935 177.409 175.510 -0.060 0.000 1.021 175 N CA 1.642 54.646 53.050 -0.076 0.000 0.854 175 N CB -0.329 38.126 38.487 -0.053 0.000 0.994 175 N HN 0.285 nan 8.380 nan 0.000 0.426 176 S N 0.314 115.990 115.700 -0.041 0.000 2.453 176 S HA 0.009 4.493 4.470 0.024 0.000 0.231 176 S C 1.527 176.018 174.600 -0.180 0.000 1.005 176 S CA 0.239 58.433 58.200 -0.010 0.000 0.949 176 S CB -0.121 63.148 63.200 0.115 0.000 0.774 176 S HN 0.091 nan 8.310 nan 0.000 0.510 177 L N 2.447 123.502 121.223 -0.280 0.000 2.675 177 L HA 0.254 4.608 4.340 0.024 0.000 0.239 177 L C 1.126 177.760 176.870 -0.393 0.000 1.151 177 L CA 0.492 54.988 54.840 -0.573 0.000 0.905 177 L CB -1.004 40.764 42.059 -0.484 0.000 1.057 177 L HN 0.258 nan 8.230 nan 0.000 0.435 178 N N -1.000 117.587 118.700 -0.188 0.000 2.325 178 N HA -0.048 4.707 4.740 0.024 0.000 0.182 178 N C 1.171 176.664 175.510 -0.027 0.000 1.088 178 N CA 0.126 53.166 53.050 -0.016 0.000 0.879 178 N CB 0.504 38.993 38.487 0.003 0.000 0.983 178 N HN 0.481 nan 8.380 nan 0.000 0.471 179 E N 1.066 121.200 120.200 -0.109 0.000 2.502 179 E HA 0.108 4.472 4.350 0.024 0.000 0.194 179 E C 0.010 176.619 176.600 0.016 0.000 1.062 179 E CA -0.233 56.182 56.400 0.024 0.000 0.867 179 E CB 0.273 30.071 29.700 0.162 0.000 0.888 179 E HN 0.177 nan 8.360 nan 0.000 0.510 180 A N 1.277 123.874 122.820 -0.372 0.000 2.409 180 A HA 0.206 4.540 4.320 0.024 0.000 0.262 180 A C -0.195 177.459 177.584 0.117 0.000 1.113 180 A CA -0.309 51.467 52.037 -0.434 0.000 0.790 180 A CB 0.548 18.545 19.000 -1.673 0.000 1.046 180 A HN 0.139 nan 8.150 nan 0.000 0.496 181 Q N 0.797 120.746 119.800 0.247 0.000 2.185 181 Q HA 0.617 4.971 4.340 0.024 0.000 0.225 181 Q C 0.397 176.640 176.000 0.405 0.000 0.983 181 Q CA 0.056 56.036 55.803 0.296 0.000 0.950 181 Q CB 0.970 29.823 28.738 0.191 0.000 1.176 181 Q HN 0.947 nan 8.270 nan 0.000 0.510 182 A N 0.147 123.123 122.820 0.260 0.000 2.488 182 A HA 0.452 4.786 4.320 0.024 0.000 0.249 182 A C 0.998 178.707 177.584 0.207 0.000 1.083 182 A CA 0.694 52.856 52.037 0.208 0.000 0.768 182 A CB -0.928 18.121 19.000 0.082 0.000 1.017 182 A HN 0.989 nan 8.150 nan 0.000 0.496 183 G N 2.055 110.997 108.800 0.236 0.000 2.176 183 G HA2 -0.169 3.805 3.960 0.024 0.000 0.232 183 G HA3 -0.169 3.805 3.960 0.024 0.000 0.232 183 G C -0.111 174.909 174.900 0.199 0.000 0.986 183 G CA 0.248 45.460 45.100 0.186 0.000 0.643 183 G HN 0.788 nan 8.290 nan 0.000 0.522 184 D N 0.128 120.682 120.400 0.257 0.000 2.313 184 D HA 0.536 5.190 4.640 0.024 0.000 0.247 184 D C 0.642 177.056 176.300 0.189 0.000 1.094 184 D CA -0.148 53.980 54.000 0.214 0.000 0.925 184 D CB 1.822 42.768 40.800 0.243 0.000 1.188 184 D HN 0.147 nan 8.370 nan 0.000 0.430 185 V N 1.422 121.408 119.914 0.120 0.000 2.539 185 V HA 0.349 4.483 4.120 0.024 0.000 0.292 185 V C 0.070 176.158 176.094 -0.011 0.000 1.045 185 V CA -0.676 61.664 62.300 0.066 0.000 0.945 185 V CB 1.854 33.678 31.823 0.000 0.000 0.993 185 V HN 0.257 nan 8.190 nan 0.000 0.464 186 V N 6.466 126.330 119.914 -0.084 0.000 2.487 186 V HA 0.490 4.625 4.120 0.024 0.000 0.298 186 V C -0.722 175.159 176.094 -0.354 0.000 1.028 186 V CA -0.668 61.466 62.300 -0.278 0.000 0.860 186 V CB 1.637 33.114 31.823 -0.576 0.000 0.991 186 V HN 0.722 nan 8.190 nan 0.000 0.427 187 L N 7.494 128.507 121.223 -0.350 0.000 2.290 187 L HA 0.576 4.931 4.340 0.024 0.000 0.284 187 L C -1.197 175.397 176.870 -0.460 0.000 1.078 187 L CA 0.445 55.089 54.840 -0.327 0.000 0.815 187 L CB 0.812 42.690 42.059 -0.302 0.000 1.162 187 L HN 0.640 nan 8.230 nan 0.000 0.435 188 F N 3.568 123.352 119.950 -0.277 0.000 2.508 188 F HA 0.421 4.962 4.527 0.023 0.000 0.325 188 F C 0.589 176.330 175.800 -0.100 0.000 1.090 188 F CA -0.662 57.200 58.000 -0.230 0.000 0.945 188 F CB 1.245 39.751 39.000 -0.823 0.000 1.156 188 F HN 0.404 nan 8.300 nan 0.000 0.463 189 H N 1.777 121.033 119.070 0.311 0.000 2.668 189 H HA 0.151 4.721 4.556 0.024 0.000 0.303 189 H C 0.986 176.622 175.328 0.512 0.000 1.074 189 H CA 0.136 56.392 56.048 0.346 0.000 1.406 189 H CB 1.594 31.545 29.762 0.315 0.000 1.442 189 H HN 0.968 nan 8.280 nan 0.000 0.482 190 G N 2.924 112.065 108.800 0.568 0.000 2.432 190 G HA2 -0.149 3.825 3.960 0.024 0.000 0.219 190 G HA3 -0.149 3.825 3.960 0.024 0.000 0.219 190 G C 0.572 175.810 174.900 0.564 0.000 1.135 190 G CA 1.077 46.424 45.100 0.412 0.000 0.767 190 G HN 0.765 nan 8.290 nan 0.000 0.550 191 C N -4.900 114.816 119.300 0.693 0.000 3.292 191 C HA 0.498 4.973 4.460 0.024 0.000 0.338 191 C C 0.262 175.563 174.990 0.518 0.000 1.323 191 C CA -1.037 58.338 59.018 0.595 0.000 1.232 191 C CB 0.593 28.658 27.740 0.542 0.000 1.517 191 C HN 0.852 nan 8.230 nan 0.000 0.470 192 C N 1.904 121.430 119.300 0.378 0.000 3.268 192 C HA -0.146 4.328 4.460 0.024 0.000 0.277 192 C C 0.416 175.553 174.990 0.245 0.000 1.259 192 C CA 1.254 60.400 59.018 0.212 0.000 2.353 192 C CB -3.354 24.387 27.740 0.002 0.000 1.482 192 C HN 1.475 nan 8.230 nan 0.000 0.513 193 H N 0.878 120.061 119.070 0.189 0.000 3.157 193 H HA 0.360 4.931 4.556 0.024 0.000 0.299 193 H C 0.547 175.860 175.328 -0.026 0.000 0.961 193 H CA 1.201 57.270 56.048 0.034 0.000 1.428 193 H CB 0.500 30.215 29.762 -0.078 0.000 1.459 193 H HN 0.798 nan 8.280 nan 0.000 0.566 194 A N 6.977 129.651 122.820 -0.244 0.000 2.289 194 A HA 0.304 4.638 4.320 0.024 0.000 0.298 194 A C -1.936 175.426 177.584 -0.370 0.000 1.208 194 A CA -1.340 50.598 52.037 -0.165 0.000 0.845 194 A CB 0.702 19.727 19.000 0.043 0.000 1.125 194 A HN 0.816 nan 8.150 nan 0.000 0.517 195 P HA 0.043 nan 4.420 nan 0.000 0.274 195 P C 0.933 178.028 177.300 -0.342 0.000 1.352 195 P CA 0.596 63.485 63.100 -0.353 0.000 0.947 195 P CB 0.367 31.759 31.700 -0.512 0.000 1.437 196 T N -4.959 109.536 114.554 -0.097 0.000 3.054 196 T HA 0.219 4.584 4.350 0.024 0.000 0.259 196 T C 1.716 176.436 174.700 0.032 0.000 1.092 196 T CA 1.050 63.068 62.100 -0.138 0.000 1.121 196 T CB -1.083 67.729 68.868 -0.094 0.000 0.912 196 T HN 0.155 nan 8.240 nan 0.000 0.489 197 G N 2.160 111.029 108.800 0.116 0.000 2.189 197 G HA2 -0.207 3.767 3.960 0.024 0.000 0.267 197 G HA3 -0.207 3.767 3.960 0.024 0.000 0.267 197 G C 0.119 175.132 174.900 0.189 0.000 0.975 197 G CA 0.267 45.448 45.100 0.135 0.000 0.644 197 G HN 0.775 nan 8.290 nan 0.000 0.537 198 I N 0.099 120.802 120.570 0.222 0.000 2.331 198 I HA 0.561 4.746 4.170 0.024 0.000 0.292 198 I C -0.745 175.527 176.117 0.258 0.000 0.998 198 I CA -0.905 60.525 61.300 0.217 0.000 1.267 198 I CB 1.244 39.360 38.000 0.193 0.000 1.386 198 I HN -0.150 nan 8.210 nan 0.000 0.476 199 D N 6.786 127.313 120.400 0.213 0.000 2.269 199 D HA 0.514 5.168 4.640 0.024 0.000 0.244 199 D C -2.434 173.885 176.300 0.033 0.000 0.992 199 D CA -1.181 52.960 54.000 0.235 0.000 0.894 199 D CB 1.997 42.991 40.800 0.324 0.000 1.248 199 D HN 0.286 nan 8.370 nan 0.000 0.468 200 P HA 0.055 nan 4.420 nan 0.000 0.269 200 P C 0.005 177.134 177.300 -0.285 0.000 1.209 200 P CA -0.005 62.784 63.100 -0.518 0.000 0.776 200 P CB 0.518 31.460 31.700 -1.265 0.000 0.876 201 T N 1.301 115.717 114.554 -0.231 0.000 2.849 201 T HA 0.090 4.454 4.350 0.024 0.000 0.284 201 T C 1.246 175.997 174.700 0.085 0.000 1.004 201 T CA -0.500 61.580 62.100 -0.033 0.000 1.021 201 T CB 0.102 68.923 68.868 -0.078 0.000 1.013 201 T HN 0.237 nan 8.240 nan 0.000 0.527 202 L N 2.744 124.104 121.223 0.228 0.000 2.081 202 L HA -0.039 4.315 4.340 0.024 0.000 0.212 202 L C 2.310 179.306 176.870 0.209 0.000 1.080 202 L CA 1.999 57.029 54.840 0.316 0.000 0.754 202 L CB -0.708 41.470 42.059 0.199 0.000 0.893 202 L HN 0.799 nan 8.230 nan 0.000 0.433 203 E N -1.134 119.115 120.200 0.081 0.000 2.106 203 E HA -0.242 4.122 4.350 0.024 0.000 0.192 203 E C 2.143 178.738 176.600 -0.008 0.000 0.984 203 E CA 1.274 57.693 56.400 0.032 0.000 0.806 203 E CB -0.061 29.631 29.700 -0.013 0.000 0.750 203 E HN 0.676 nan 8.360 nan 0.000 0.458 204 Q N -0.710 119.005 119.800 -0.143 0.000 2.187 204 Q HA -0.124 4.230 4.340 0.024 0.000 0.199 204 Q C 1.703 177.709 176.000 0.011 0.000 0.957 204 Q CA 0.892 56.504 55.803 -0.319 0.000 0.857 204 Q CB -0.056 28.169 28.738 -0.856 0.000 0.929 204 Q HN 0.392 nan 8.270 nan 0.000 0.453 205 W N 1.353 122.706 121.300 0.089 0.000 2.358 205 W HA -0.208 4.467 4.660 0.024 0.000 0.303 205 W C 2.285 178.892 176.519 0.146 0.000 1.208 205 W CA 0.826 58.299 57.345 0.213 0.000 1.274 205 W CB 0.087 29.677 29.460 0.218 0.000 1.138 205 W HN 0.215 nan 8.180 nan 0.000 0.515 206 Q N -0.689 119.293 119.800 0.303 0.000 2.124 206 Q HA -0.195 4.159 4.340 0.024 0.000 0.202 206 Q C 2.275 178.320 176.000 0.075 0.000 0.977 206 Q CA 2.309 58.189 55.803 0.127 0.000 0.850 206 Q CB -0.531 28.262 28.738 0.091 0.000 0.901 206 Q HN 0.383 nan 8.270 nan 0.000 0.429 207 T N -1.010 113.622 114.554 0.130 0.000 2.812 207 T HA -0.090 4.275 4.350 0.024 0.000 0.264 207 T C 1.783 176.564 174.700 0.134 0.000 1.042 207 T CA 0.468 62.646 62.100 0.130 0.000 1.140 207 T CB -0.187 68.809 68.868 0.213 0.000 0.870 207 T HN 0.012 nan 8.240 nan 0.000 0.445 208 L N 2.012 123.380 121.223 0.242 0.000 2.042 208 L HA 0.137 4.491 4.340 0.024 0.000 0.210 208 L C 3.093 179.935 176.870 -0.047 0.000 1.076 208 L CA 1.533 56.540 54.840 0.277 0.000 0.749 208 L CB -1.614 40.760 42.059 0.526 0.000 0.893 208 L HN 0.478 nan 8.230 nan 0.000 0.432 209 A N -1.613 120.913 122.820 -0.491 0.000 1.902 209 A HA -0.260 4.074 4.320 0.024 0.000 0.217 209 A C 2.295 179.669 177.584 -0.350 0.000 1.181 209 A CA 1.651 53.130 52.037 -0.930 0.000 0.623 209 A CB -0.463 18.092 19.000 -0.742 0.000 0.818 209 A HN 0.472 nan 8.150 nan 0.000 0.443 210 Q N -0.797 118.885 119.800 -0.197 0.000 2.119 210 Q HA -0.084 4.270 4.340 0.024 0.000 0.201 210 Q C 2.069 177.985 176.000 -0.139 0.000 0.972 210 Q CA 1.334 57.049 55.803 -0.146 0.000 0.847 210 Q CB -0.177 28.512 28.738 -0.082 0.000 0.903 210 Q HN 0.678 nan 8.270 nan 0.000 0.433 211 L N -0.325 120.847 121.223 -0.086 0.000 2.093 211 L HA -0.092 4.262 4.340 0.024 0.000 0.208 211 L C 2.032 178.767 176.870 -0.226 0.000 1.085 211 L CA 2.086 56.868 54.840 -0.097 0.000 0.755 211 L CB -1.094 40.975 42.059 0.018 0.000 0.904 211 L HN 0.209 nan 8.230 nan 0.000 0.435 212 S N -0.481 115.148 115.700 -0.119 0.000 2.368 212 S HA -0.168 4.316 4.470 0.024 0.000 0.225 212 S C 2.116 176.553 174.600 -0.271 0.000 1.030 212 S CA 1.708 59.812 58.200 -0.159 0.000 0.999 212 S CB -0.481 62.996 63.200 0.461 0.000 0.844 212 S HN 0.470 nan 8.310 nan 0.000 0.459 213 V N 1.425 121.168 119.914 -0.285 0.000 2.295 213 V HA -0.134 4.000 4.120 0.024 0.000 0.246 213 V C 2.093 178.014 176.094 -0.288 0.000 1.049 213 V CA 2.576 64.677 62.300 -0.333 0.000 1.024 213 V CB -0.823 30.772 31.823 -0.380 0.000 0.648 213 V HN 0.604 nan 8.190 nan 0.000 0.447 214 E N -0.413 119.619 120.200 -0.281 0.000 2.171 214 E HA -0.217 4.147 4.350 0.024 0.000 0.197 214 E C 2.079 178.489 176.600 -0.317 0.000 0.997 214 E CA 1.450 57.700 56.400 -0.250 0.000 0.810 214 E CB -0.077 29.497 29.700 -0.210 0.000 0.738 214 E HN 0.518 nan 8.360 nan 0.000 0.467 215 K N -1.033 119.043 120.400 -0.539 0.000 2.352 215 K HA 0.080 4.414 4.320 0.024 0.000 0.194 215 K C 0.870 177.086 176.600 -0.641 0.000 1.038 215 K CA 0.741 56.574 56.287 -0.757 0.000 1.023 215 K CB 1.185 32.782 32.500 -1.504 0.000 0.840 215 K HN 0.224 nan 8.250 nan 0.000 0.519 216 G N 2.238 110.769 108.800 -0.449 0.000 2.291 216 G HA2 -0.208 3.766 3.960 0.024 0.000 0.271 216 G HA3 -0.208 3.766 3.960 0.024 0.000 0.271 216 G C -0.535 174.439 174.900 0.125 0.000 1.099 216 G CA -0.159 44.869 45.100 -0.120 0.000 0.919 216 G HN 0.250 nan 8.290 nan 0.000 0.496 217 W N -0.943 120.448 121.300 0.151 0.000 2.313 217 W HA 0.618 5.292 4.660 0.024 0.000 0.328 217 W C 0.866 177.516 176.519 0.218 0.000 1.197 217 W CA -1.365 56.080 57.345 0.167 0.000 1.235 217 W CB 0.998 30.580 29.460 0.202 0.000 1.158 217 W HN 0.228 nan 8.180 nan 0.000 0.578 218 L N 5.296 126.777 121.223 0.431 0.000 2.255 218 L HA 0.365 4.719 4.340 0.024 0.000 0.289 218 L C -2.249 174.807 176.870 0.309 0.000 1.046 218 L CA -1.995 53.038 54.840 0.320 0.000 0.816 218 L CB 0.896 43.099 42.059 0.240 0.000 1.197 218 L HN 0.004 nan 8.230 nan 0.000 0.427 219 P HA 0.224 nan 4.420 nan 0.000 0.280 219 P C -1.179 176.276 177.300 0.259 0.000 1.244 219 P CA -0.165 63.128 63.100 0.323 0.000 0.784 219 P CB 1.028 32.953 31.700 0.375 0.000 0.913 220 L N 4.284 125.607 121.223 0.167 0.000 2.372 220 L HA 0.494 4.848 4.340 0.024 0.000 0.273 220 L C -1.181 175.750 176.870 0.103 0.000 0.989 220 L CA -0.768 54.178 54.840 0.176 0.000 0.841 220 L CB 0.517 42.651 42.059 0.125 0.000 1.225 220 L HN 0.236 nan 8.230 nan 0.000 0.414 221 F N 2.773 122.763 119.950 0.067 0.000 2.411 221 F HA 0.256 4.797 4.527 0.023 0.000 0.350 221 F C 0.366 176.195 175.800 0.048 0.000 1.114 221 F CA -0.247 57.766 58.000 0.022 0.000 1.135 221 F CB 1.238 40.150 39.000 -0.147 0.000 1.120 221 F HN 0.412 nan 8.300 nan 0.000 0.495 222 D N 3.893 124.383 120.400 0.150 0.000 2.329 222 D HA 0.193 4.847 4.640 0.024 0.000 0.232 222 D C -1.392 175.053 176.300 0.242 0.000 1.088 222 D CA -0.147 53.922 54.000 0.115 0.000 0.835 222 D CB 0.505 41.286 40.800 -0.031 0.000 1.078 222 D HN 0.190 nan 8.370 nan 0.000 0.495 223 F N 3.676 123.630 119.950 0.006 0.000 2.564 223 F HA 0.508 5.051 4.527 0.026 0.000 0.361 223 F C 0.334 176.058 175.800 -0.127 0.000 1.161 223 F CA -1.209 56.793 58.000 0.004 0.000 1.198 223 F CB 0.809 39.808 39.000 -0.001 0.000 1.424 223 F HN 0.463 nan 8.300 nan 0.000 0.517 224 A N 2.987 125.732 122.820 -0.125 0.000 2.252 224 A HA 0.144 4.478 4.320 0.024 0.000 0.213 224 A C 0.099 177.290 177.584 -0.654 0.000 1.188 224 A CA 0.446 52.190 52.037 -0.488 0.000 0.863 224 A CB -0.268 18.295 19.000 -0.729 0.000 0.893 224 A HN 0.531 nan 8.150 nan 0.000 0.495 225 Y N 0.264 120.529 120.300 -0.059 0.000 2.722 225 Y HA 0.308 4.872 4.550 0.024 0.000 0.314 225 Y C 0.567 176.539 175.900 0.120 0.000 1.008 225 Y CA -0.541 57.611 58.100 0.087 0.000 1.294 225 Y CB 0.140 38.650 38.460 0.083 0.000 1.231 225 Y HN 0.341 nan 8.280 nan 0.000 0.558 226 Q N 0.755 120.473 119.800 -0.137 0.000 2.271 226 Q HA 0.353 4.708 4.340 0.024 0.000 0.273 226 Q C 1.106 177.078 176.000 -0.047 0.000 1.051 226 Q CA 1.246 56.898 55.803 -0.252 0.000 0.901 226 Q CB 0.380 28.759 28.738 -0.599 0.000 1.174 226 Q HN 0.807 nan 8.270 nan 0.000 0.385 227 G N 3.250 112.023 108.800 -0.044 0.000 2.195 227 G HA2 -0.267 3.707 3.960 0.024 0.000 0.224 227 G HA3 -0.267 3.707 3.960 0.024 0.000 0.224 227 G C 0.174 174.916 174.900 -0.265 0.000 0.990 227 G CA 0.090 45.075 45.100 -0.192 0.000 0.639 227 G HN 0.663 nan 8.290 nan 0.000 0.514 228 F N 1.176 121.131 119.950 0.009 0.000 2.569 228 F HA 0.510 5.051 4.527 0.022 0.000 0.295 228 F C 2.618 178.430 175.800 0.020 0.000 1.115 228 F CA 1.475 59.483 58.000 0.013 0.000 1.450 228 F CB 0.113 39.154 39.000 0.069 0.000 1.107 228 F HN 0.336 nan 8.300 nan 0.000 0.563 229 A N 0.176 123.121 122.820 0.207 0.000 1.862 229 A HA 0.101 4.435 4.320 0.024 0.000 0.211 229 A C 2.030 179.672 177.584 0.097 0.000 1.220 229 A CA 1.084 53.218 52.037 0.162 0.000 0.616 229 A CB -0.080 19.041 19.000 0.201 0.000 0.878 229 A HN 0.275 nan 8.150 nan 0.000 0.453 230 R N -2.798 117.746 120.500 0.073 0.000 2.551 230 R HA 0.409 4.763 4.340 0.024 0.000 0.202 230 R C 0.581 176.873 176.300 -0.014 0.000 0.861 230 R CA 0.595 56.717 56.100 0.035 0.000 1.018 230 R CB 1.162 31.497 30.300 0.058 0.000 1.435 230 R HN 0.613 nan 8.270 nan 0.000 0.659 234 E N 1.364 121.574 120.200 0.018 0.000 2.072 234 E HA -0.186 4.178 4.350 0.024 0.000 0.191 234 E C 1.616 178.246 176.600 0.051 0.000 0.985 234 E CA 1.634 58.054 56.400 0.034 0.000 0.801 234 E CB 0.104 29.815 29.700 0.019 0.000 0.750 234 E HN 0.458 nan 8.360 nan 0.000 0.452 235 E N 0.978 121.207 120.200 0.049 0.000 2.077 235 E HA -0.149 4.215 4.350 0.024 0.000 0.193 235 E C 1.613 178.279 176.600 0.110 0.000 0.989 235 E CA 1.207 57.647 56.400 0.068 0.000 0.800 235 E CB -0.098 29.637 29.700 0.060 0.000 0.746 235 E HN 0.153 nan 8.360 nan 0.000 0.452 236 D N -0.411 120.072 120.400 0.138 0.000 2.312 236 D HA -0.030 4.624 4.640 0.024 0.000 0.211 236 D C 1.317 177.794 176.300 0.295 0.000 0.964 236 D CA 1.004 55.144 54.000 0.233 0.000 0.877 236 D CB -0.016 40.921 40.800 0.230 0.000 0.924 236 D HN 0.212 nan 8.370 nan 0.000 0.515 237 A N 0.828 123.774 122.820 0.211 0.000 2.195 237 A HA -0.027 4.307 4.320 0.024 0.000 0.210 237 A C 1.886 179.409 177.584 -0.103 0.000 1.165 237 A CA 0.316 52.411 52.037 0.097 0.000 0.806 237 A CB -0.340 18.729 19.000 0.113 0.000 0.847 237 A HN 0.311 nan 8.150 nan 0.000 0.482 238 E N -0.039 120.133 120.200 -0.046 0.000 2.204 238 E HA -0.107 4.257 4.350 0.024 0.000 0.195 238 E C 1.759 178.238 176.600 -0.201 0.000 0.990 238 E CA 1.137 57.494 56.400 -0.072 0.000 0.821 238 E CB -0.575 29.134 29.700 0.015 0.000 0.750 238 E HN 0.359 nan 8.360 nan 0.000 0.477 239 G N 2.089 110.625 108.800 -0.441 0.000 2.433 239 G HA2 -0.262 3.712 3.960 0.024 0.000 0.216 239 G HA3 -0.262 3.712 3.960 0.024 0.000 0.216 239 G C 1.540 175.934 174.900 -0.845 0.000 1.186 239 G CA 0.941 45.378 45.100 -1.105 0.000 0.779 239 G HN 0.288 nan 8.290 nan 0.000 0.543 240 L N 0.775 121.418 121.223 -0.967 0.000 2.012 240 L HA -0.030 4.324 4.340 0.024 0.000 0.210 240 L C 2.807 179.365 176.870 -0.521 0.000 1.073 240 L CA 1.897 56.013 54.840 -1.208 0.000 0.748 240 L CB -0.564 40.708 42.059 -1.312 0.000 0.891 240 L HN 0.154 nan 8.230 nan 0.000 0.431 241 R N -0.505 119.816 120.500 -0.300 0.000 2.152 241 R HA -0.066 4.288 4.340 0.024 0.000 0.232 241 R C 2.212 178.488 176.300 -0.040 0.000 1.117 241 R CA 1.014 57.060 56.100 -0.090 0.000 0.981 241 R CB -0.555 29.719 30.300 -0.043 0.000 0.870 241 R HN 0.575 nan 8.270 nan 0.000 0.451 242 A N 0.360 123.158 122.820 -0.036 0.000 1.929 242 A HA -0.088 4.247 4.320 0.024 0.000 0.216 242 A C 1.727 179.357 177.584 0.078 0.000 1.176 242 A CA 0.930 52.988 52.037 0.036 0.000 0.628 242 A CB -0.434 18.621 19.000 0.091 0.000 0.816 242 A HN 0.236 nan 8.150 nan 0.000 0.444 243 F N -0.506 119.394 119.950 -0.083 0.000 2.748 243 F HA 0.135 4.677 4.527 0.024 0.000 0.299 243 F C 2.224 178.028 175.800 0.006 0.000 1.154 243 F CA 0.682 58.693 58.000 0.019 0.000 1.446 243 F CB 0.275 39.262 39.000 -0.021 0.000 1.112 243 F HN 0.274 nan 8.300 nan 0.000 0.584 244 A N -0.864 122.010 122.820 0.089 0.000 2.348 244 A HA 0.503 4.838 4.320 0.024 0.000 0.224 244 A C 1.915 179.500 177.584 0.001 0.000 1.227 244 A CA 0.688 52.744 52.037 0.032 0.000 0.885 244 A CB -0.496 18.451 19.000 -0.088 0.000 0.933 244 A HN 0.187 nan 8.150 nan 0.000 0.506 245 A N -1.122 121.708 122.820 0.017 0.000 2.081 245 A HA 0.219 4.554 4.320 0.024 0.000 0.214 245 A C 1.810 179.387 177.584 -0.012 0.000 1.158 245 A CA 1.359 53.390 52.037 -0.010 0.000 0.724 245 A CB -0.237 18.757 19.000 -0.011 0.000 0.826 245 A HN 0.409 nan 8.150 nan 0.000 0.463 246 M N -0.624 118.980 119.600 0.008 0.000 2.510 246 M HA 0.166 4.661 4.480 0.024 0.000 0.256 246 M C -0.052 176.164 176.300 -0.141 0.000 1.132 246 M CA 0.848 56.108 55.300 -0.067 0.000 1.105 246 M CB 0.190 32.734 32.600 -0.093 0.000 1.375 246 M HN 0.343 nan 8.290 nan 0.000 0.477 247 H N -1.028 118.034 119.070 -0.013 0.000 2.600 247 H HA 0.240 4.810 4.556 0.024 0.000 0.357 247 H C 0.155 175.491 175.328 0.013 0.000 1.106 247 H CA -0.588 55.474 56.048 0.024 0.000 1.193 247 H CB 1.875 31.698 29.762 0.102 0.000 1.594 247 H HN -0.228 nan 8.280 nan 0.000 0.526 248 K N 1.188 121.663 120.400 0.125 0.000 2.167 248 K HA 0.020 4.354 4.320 0.024 0.000 0.203 248 K C -0.220 176.446 176.600 0.110 0.000 1.052 248 K CA 1.070 57.406 56.287 0.081 0.000 0.956 248 K CB 0.430 32.962 32.500 0.054 0.000 0.735 248 K HN 0.620 nan 8.250 nan 0.000 0.451 249 E N -0.430 119.879 120.200 0.182 0.000 2.331 249 E HA 0.535 4.899 4.350 0.024 0.000 0.275 249 E C -1.148 175.567 176.600 0.192 0.000 0.895 249 E CA -0.672 55.828 56.400 0.167 0.000 0.753 249 E CB 2.116 31.921 29.700 0.174 0.000 1.216 249 E HN 0.033 nan 8.360 nan 0.000 0.434 250 L N -1.231 120.090 121.223 0.163 0.000 2.775 250 L HA 0.693 5.047 4.340 0.024 0.000 0.263 250 L C -1.478 175.511 176.870 0.198 0.000 1.017 250 L CA -1.128 53.823 54.840 0.184 0.000 0.891 250 L CB 1.399 43.554 42.059 0.160 0.000 1.482 250 L HN 0.489 nan 8.230 nan 0.000 0.410 251 I N 1.656 122.366 120.570 0.234 0.000 2.545 251 I HA 0.714 4.898 4.170 0.024 0.000 0.292 251 I C -1.046 175.218 176.117 0.245 0.000 1.040 251 I CA -1.099 60.338 61.300 0.228 0.000 1.068 251 I CB 2.357 40.504 38.000 0.244 0.000 1.251 251 I HN 0.516 nan 8.210 nan 0.000 0.424 252 V N 5.040 125.080 119.914 0.210 0.000 2.577 252 V HA 0.859 4.993 4.120 0.024 0.000 0.303 252 V C -0.734 175.455 176.094 0.158 0.000 1.042 252 V CA -0.219 62.197 62.300 0.193 0.000 0.872 252 V CB 1.711 33.593 31.823 0.098 0.000 0.998 252 V HN 0.813 nan 8.190 nan 0.000 0.423 253 A N 5.338 128.256 122.820 0.163 0.000 2.253 253 A HA 0.849 5.184 4.320 0.024 0.000 0.316 253 A C 0.237 177.866 177.584 0.075 0.000 1.327 253 A CA 0.070 52.178 52.037 0.117 0.000 0.917 253 A CB 0.491 19.567 19.000 0.127 0.000 1.162 253 A HN 1.600 nan 8.150 nan 0.000 0.535 254 S N 1.571 117.273 115.700 0.003 0.000 2.621 254 S HA 0.831 5.316 4.470 0.024 0.000 0.302 254 S C -0.088 174.360 174.600 -0.252 0.000 1.093 254 S CA -0.554 57.574 58.200 -0.120 0.000 1.017 254 S CB 1.746 64.831 63.200 -0.192 0.000 1.077 254 S HN 0.984 nan 8.310 nan 0.000 0.517 255 S N -0.182 115.289 115.700 -0.382 0.000 2.568 255 S HA 0.643 5.128 4.470 0.024 0.000 0.293 255 S C -1.370 172.932 174.600 -0.497 0.000 1.089 255 S CA -0.569 57.421 58.200 -0.350 0.000 0.945 255 S CB 0.807 63.824 63.200 -0.305 0.000 1.077 255 S HN 0.704 nan 8.310 nan 0.000 0.485 256 Y N 1.603 121.856 120.300 -0.078 0.000 2.557 256 Y HA 0.293 4.860 4.550 0.028 0.000 0.247 256 Y C 2.118 177.978 175.900 -0.067 0.000 1.164 256 Y CA -0.226 57.856 58.100 -0.031 0.000 1.218 256 Y CB 0.142 38.525 38.460 -0.128 0.000 1.210 256 Y HN 0.591 nan 8.280 nan 0.000 0.529 257 S N 0.102 115.775 115.700 -0.046 0.000 2.368 257 S HA -0.182 4.303 4.470 0.024 0.000 0.225 257 S C 1.752 176.023 174.600 -0.550 0.000 1.030 257 S CA 1.700 59.765 58.200 -0.226 0.000 0.999 257 S CB 0.026 63.159 63.200 -0.110 0.000 0.844 257 S HN 0.384 nan 8.310 nan 0.000 0.459 258 K N 1.746 121.986 120.400 -0.268 0.000 2.121 258 K HA 0.127 4.461 4.320 0.024 0.000 0.203 258 K C 1.847 178.549 176.600 0.170 0.000 1.041 258 K CA 0.975 57.179 56.287 -0.138 0.000 0.969 258 K CB -0.243 32.202 32.500 -0.092 0.000 0.799 258 K HN 0.525 nan 8.250 nan 0.000 0.456 259 N N -0.187 118.714 118.700 0.335 0.000 2.453 259 N HA -0.108 4.646 4.740 0.024 0.000 0.183 259 N C 0.828 176.463 175.510 0.208 0.000 1.041 259 N CA 0.772 54.013 53.050 0.319 0.000 0.900 259 N CB 0.004 38.669 38.487 0.296 0.000 0.961 259 N HN 0.073 nan 8.380 nan 0.000 0.443 260 F N 0.161 120.184 119.950 0.122 0.000 2.682 260 F HA 0.355 4.893 4.527 0.020 0.000 0.308 260 F C 1.514 177.291 175.800 -0.038 0.000 1.093 260 F CA 0.021 58.041 58.000 0.033 0.000 1.244 260 F CB 0.725 39.631 39.000 -0.156 0.000 1.052 260 F HN 0.104 nan 8.300 nan 0.000 0.573 261 G N 1.401 110.189 108.800 -0.020 0.000 2.249 261 G HA2 -0.311 3.663 3.960 0.024 0.000 0.273 261 G HA3 -0.311 3.663 3.960 0.024 0.000 0.273 261 G C 0.483 175.320 174.900 -0.104 0.000 1.036 261 G CA 0.308 45.337 45.100 -0.118 0.000 0.824 261 G HN 0.421 nan 8.290 nan 0.000 0.504 262 L N -0.469 120.639 121.223 -0.192 0.000 3.017 262 L HA 0.292 4.646 4.340 0.024 0.000 0.255 262 L C 2.096 178.950 176.870 -0.026 0.000 1.247 262 L CA -0.747 54.067 54.840 -0.044 0.000 1.038 262 L CB -0.249 41.794 42.059 -0.027 0.000 1.380 262 L HN 0.331 nan 8.230 nan 0.000 0.548 263 Y N 0.886 121.238 120.300 0.087 0.000 2.062 263 Y HA -0.395 4.168 4.550 0.022 0.000 0.273 263 Y C 2.442 178.365 175.900 0.039 0.000 1.206 263 Y CA 2.086 60.221 58.100 0.059 0.000 1.125 263 Y CB -0.614 37.884 38.460 0.064 0.000 0.951 263 Y HN 0.559 nan 8.280 nan 0.000 0.501 264 N N -0.494 118.338 118.700 0.220 0.000 2.398 264 N HA -0.081 4.673 4.740 0.024 0.000 0.188 264 N C 0.712 176.266 175.510 0.073 0.000 1.122 264 N CA 0.777 53.901 53.050 0.123 0.000 0.866 264 N CB -0.296 38.254 38.487 0.105 0.000 0.970 264 N HN 0.336 nan 8.380 nan 0.000 0.462 265 E N 0.378 120.618 120.200 0.067 0.000 2.479 265 E HA 0.068 4.433 4.350 0.024 0.000 0.193 265 E C -0.340 176.258 176.600 -0.002 0.000 1.049 265 E CA -0.159 56.266 56.400 0.040 0.000 0.870 265 E CB 0.044 29.778 29.700 0.057 0.000 0.944 265 E HN 0.077 nan 8.360 nan 0.000 0.492 266 R N -0.353 120.148 120.500 0.001 0.000 2.002 266 R HA -0.137 4.217 4.340 0.024 0.000 0.346 266 R C -1.037 175.236 176.300 -0.043 0.000 1.193 266 R CA 0.208 56.292 56.100 -0.026 0.000 1.111 266 R CB -2.025 28.238 30.300 -0.062 0.000 3.159 266 R HN -0.091 nan 8.270 nan 0.000 0.494 267 V N 2.171 122.083 119.914 -0.004 0.000 2.488 267 V HA 0.893 5.028 4.120 0.024 0.000 0.293 267 V C 0.850 177.046 176.094 0.171 0.000 1.027 267 V CA -0.072 62.259 62.300 0.050 0.000 0.862 267 V CB 2.245 34.101 31.823 0.054 0.000 1.008 267 V HN 0.905 nan 8.190 nan 0.000 0.428 268 G N 2.716 111.621 108.800 0.176 0.000 2.645 268 G HA2 0.954 4.928 3.960 0.024 0.000 0.292 268 G HA3 0.954 4.928 3.960 0.024 0.000 0.292 268 G C -1.499 173.548 174.900 0.246 0.000 1.415 268 G CA -0.115 45.068 45.100 0.139 0.000 0.785 268 G HN 1.238 nan 8.290 nan 0.000 0.483 269 A N -1.559 121.361 122.820 0.166 0.000 2.574 269 A HA 0.641 4.975 4.320 0.024 0.000 0.297 269 A C -1.189 176.482 177.584 0.145 0.000 1.062 269 A CA -0.328 51.848 52.037 0.232 0.000 0.686 269 A CB 1.422 20.594 19.000 0.287 0.000 1.285 269 A HN 1.823 nan 8.150 nan 0.000 0.403 270 C N 1.966 121.369 119.300 0.171 0.000 2.301 270 C HA 0.797 5.271 4.460 0.024 0.000 0.323 270 C C 0.025 175.115 174.990 0.166 0.000 1.265 270 C CA 0.072 59.185 59.018 0.158 0.000 1.503 270 C CB -0.407 27.430 27.740 0.162 0.000 2.195 270 C HN 0.804 nan 8.230 nan 0.000 0.477 271 T N 7.037 121.676 114.554 0.142 0.000 2.779 271 T HA 0.429 4.794 4.350 0.024 0.000 0.280 271 T C -0.519 174.263 174.700 0.137 0.000 0.987 271 T CA -0.235 61.943 62.100 0.130 0.000 0.966 271 T CB 1.049 70.007 68.868 0.151 0.000 0.933 271 T HN 0.619 nan 8.240 nan 0.000 0.442 272 L N 4.049 125.319 121.223 0.078 0.000 2.295 272 L HA 0.668 5.022 4.340 0.024 0.000 0.285 272 L C -0.878 176.015 176.870 0.038 0.000 1.035 272 L CA -0.799 54.081 54.840 0.067 0.000 0.806 272 L CB 1.334 43.409 42.059 0.028 0.000 1.214 272 L HN 0.393 nan 8.230 nan 0.000 0.426 273 V N 3.405 123.354 119.914 0.059 0.000 2.604 273 V HA 0.816 4.950 4.120 0.024 0.000 0.305 273 V C -0.007 176.108 176.094 0.035 0.000 1.043 273 V CA -0.499 61.797 62.300 -0.006 0.000 0.888 273 V CB 1.484 33.264 31.823 -0.071 0.000 0.995 273 V HN 0.890 nan 8.190 nan 0.000 0.429 274 A N 2.919 125.750 122.820 0.018 0.000 2.483 274 A HA 0.919 5.253 4.320 0.024 0.000 0.286 274 A C 1.107 178.706 177.584 0.024 0.000 1.207 274 A CA 0.023 52.092 52.037 0.052 0.000 0.764 274 A CB 1.203 20.245 19.000 0.071 0.000 1.341 274 A HN 1.243 nan 8.150 nan 0.000 0.428 275 A N -0.596 122.245 122.820 0.036 0.000 2.024 275 A HA 0.231 4.565 4.320 0.024 0.000 0.220 275 A C 0.544 178.128 177.584 0.001 0.000 1.164 275 A CA 2.403 54.451 52.037 0.018 0.000 0.643 275 A CB -0.865 18.150 19.000 0.025 0.000 0.806 275 A HN 1.106 nan 8.150 nan 0.000 0.451 276 D N -5.233 115.170 120.400 0.004 0.000 2.692 276 D HA 0.343 4.997 4.640 0.024 0.000 0.290 276 D C 0.526 176.825 176.300 -0.001 0.000 1.281 276 D CA 0.053 54.051 54.000 -0.004 0.000 0.804 276 D CB 0.394 41.196 40.800 0.003 0.000 1.331 276 D HN -0.148 nan 8.370 nan 0.000 0.432 277 S N -0.891 114.805 115.700 -0.006 0.000 2.359 277 S HA -0.248 4.236 4.470 0.024 0.000 0.224 277 S C 1.502 176.110 174.600 0.013 0.000 1.035 277 S CA 1.714 59.911 58.200 -0.005 0.000 1.018 277 S CB -0.505 62.691 63.200 -0.007 0.000 0.876 277 S HN 0.490 nan 8.310 nan 0.000 0.448 278 E N -0.239 119.973 120.200 0.020 0.000 2.058 278 E HA -0.144 4.221 4.350 0.024 0.000 0.194 278 E C 2.198 178.827 176.600 0.048 0.000 0.997 278 E CA 1.636 58.055 56.400 0.032 0.000 0.801 278 E CB -0.589 29.128 29.700 0.029 0.000 0.746 278 E HN 0.602 nan 8.360 nan 0.000 0.450 279 T N -0.029 114.555 114.554 0.049 0.000 2.857 279 T HA -0.068 4.296 4.350 0.024 0.000 0.266 279 T C 1.893 176.645 174.700 0.086 0.000 1.048 279 T CA 1.019 63.162 62.100 0.070 0.000 1.139 279 T CB -0.108 68.800 68.868 0.067 0.000 0.874 279 T HN 0.021 nan 8.240 nan 0.000 0.455 280 V N 1.396 121.346 119.914 0.060 0.000 2.407 280 V HA -0.110 4.025 4.120 0.024 0.000 0.248 280 V C 2.115 178.263 176.094 0.091 0.000 1.055 280 V CA 2.394 64.729 62.300 0.057 0.000 1.049 280 V CB -0.538 31.280 31.823 -0.008 0.000 0.662 280 V HN 0.484 nan 8.190 nan 0.000 0.455 281 D N -0.376 120.073 120.400 0.082 0.000 2.097 281 D HA -0.166 4.488 4.640 0.024 0.000 0.197 281 D C 2.297 178.690 176.300 0.154 0.000 0.984 281 D CA 1.424 55.500 54.000 0.126 0.000 0.826 281 D CB -0.281 40.569 40.800 0.083 0.000 0.973 281 D HN 0.377 nan 8.370 nan 0.000 0.460 282 R N 0.357 120.929 120.500 0.120 0.000 2.096 282 R HA -0.057 4.297 4.340 0.024 0.000 0.235 282 R C 2.061 178.454 176.300 0.156 0.000 1.127 282 R CA 1.328 57.498 56.100 0.117 0.000 0.968 282 R CB -0.053 30.304 30.300 0.095 0.000 0.861 282 R HN 0.105 nan 8.270 nan 0.000 0.440 283 A N -0.093 122.844 122.820 0.194 0.000 1.929 283 A HA -0.142 4.192 4.320 0.024 0.000 0.216 283 A C 1.879 179.573 177.584 0.183 0.000 1.176 283 A CA 0.819 53.023 52.037 0.279 0.000 0.628 283 A CB -0.613 18.577 19.000 0.317 0.000 0.816 283 A HN 0.441 nan 8.150 nan 0.000 0.444 284 F N 2.026 121.954 119.950 -0.037 0.000 2.216 284 F HA -0.162 4.378 4.527 0.023 0.000 0.300 284 F C 2.725 178.494 175.800 -0.052 0.000 1.085 284 F CA 1.465 59.404 58.000 -0.103 0.000 1.326 284 F CB -0.315 38.651 39.000 -0.057 0.000 1.027 284 F HN 0.336 nan 8.300 nan 0.000 0.497 285 S N -0.745 114.961 115.700 0.011 0.000 2.399 285 S HA -0.201 4.283 4.470 0.024 0.000 0.231 285 S C 1.880 176.434 174.600 -0.076 0.000 1.022 285 S CA 0.961 59.120 58.200 -0.069 0.000 0.983 285 S CB -0.546 62.667 63.200 0.021 0.000 0.803 285 S HN 0.449 nan 8.310 nan 0.000 0.480 286 Q N 0.517 120.338 119.800 0.034 0.000 2.187 286 Q HA 0.132 4.486 4.340 0.024 0.000 0.199 286 Q C 2.106 178.165 176.000 0.099 0.000 0.957 286 Q CA 1.144 57.019 55.803 0.120 0.000 0.857 286 Q CB -0.409 28.505 28.738 0.294 0.000 0.929 286 Q HN 0.752 nan 8.270 nan 0.000 0.453 287 M N 0.470 120.010 119.600 -0.101 0.000 2.159 287 M HA -0.181 4.314 4.480 0.024 0.000 0.263 287 M C 1.702 177.819 176.300 -0.304 0.000 1.063 287 M CA 1.507 56.641 55.300 -0.276 0.000 1.110 287 M CB 0.129 32.386 32.600 -0.573 0.000 1.374 287 M HN -0.062 nan 8.290 nan 0.000 0.411 288 K N 0.118 120.259 120.400 -0.432 0.000 2.097 288 K HA -0.044 4.290 4.320 0.024 0.000 0.205 288 K C 1.970 178.438 176.600 -0.219 0.000 1.050 288 K CA 1.304 57.364 56.287 -0.378 0.000 0.938 288 K CB -0.257 31.997 32.500 -0.410 0.000 0.718 288 K HN 0.461 nan 8.250 nan 0.000 0.442 289 A N 1.325 124.060 122.820 -0.141 0.000 1.940 289 A HA -0.165 4.169 4.320 0.024 0.000 0.219 289 A C 2.332 179.866 177.584 -0.084 0.000 1.176 289 A CA 1.934 53.918 52.037 -0.088 0.000 0.631 289 A CB -0.755 18.225 19.000 -0.033 0.000 0.814 289 A HN 0.345 nan 8.150 nan 0.000 0.446 290 A N -0.321 122.467 122.820 -0.054 0.000 1.902 290 A HA -0.086 4.249 4.320 0.024 0.000 0.217 290 A C 2.062 179.570 177.584 -0.127 0.000 1.181 290 A CA 1.654 53.670 52.037 -0.036 0.000 0.623 290 A CB -0.568 18.461 19.000 0.048 0.000 0.818 290 A HN 0.460 nan 8.150 nan 0.000 0.443 291 I N -0.072 120.365 120.570 -0.221 0.000 2.202 291 I HA -0.251 3.933 4.170 0.024 0.000 0.242 291 I C 2.325 178.167 176.117 -0.459 0.000 1.091 291 I CA 1.143 62.171 61.300 -0.452 0.000 1.368 291 I CB -0.364 37.371 38.000 -0.442 0.000 1.058 291 I HN 0.305 nan 8.210 nan 0.000 0.410 292 L N 0.335 121.384 121.223 -0.290 0.000 2.043 292 L HA -0.230 4.124 4.340 0.024 0.000 0.212 292 L C 2.416 179.177 176.870 -0.182 0.000 1.075 292 L CA 1.550 56.254 54.840 -0.226 0.000 0.752 292 L CB -1.005 40.959 42.059 -0.159 0.000 0.891 292 L HN 0.240 nan 8.230 nan 0.000 0.432 293 A N -1.127 121.606 122.820 -0.145 0.000 2.235 293 A HA -0.057 4.278 4.320 0.024 0.000 0.208 293 A C 1.807 179.340 177.584 -0.084 0.000 1.172 293 A CA 0.955 52.936 52.037 -0.092 0.000 0.786 293 A CB -0.429 18.537 19.000 -0.057 0.000 0.804 293 A HN 0.505 nan 8.150 nan 0.000 0.479 294 N N -1.041 117.573 118.700 -0.143 0.000 3.251 294 N HA 0.059 4.813 4.740 0.024 0.000 0.227 294 N C 0.852 176.351 175.510 -0.019 0.000 1.084 294 N CA 1.388 54.402 53.050 -0.060 0.000 1.167 294 N CB 0.056 38.529 38.487 -0.025 0.000 1.548 294 N HN 0.401 nan 8.380 nan 0.000 0.592 295 Y N -1.297 118.992 120.300 -0.018 0.000 2.588 295 Y HA 0.588 5.153 4.550 0.024 0.000 0.247 295 Y C 1.216 177.103 175.900 -0.022 0.000 1.157 295 Y CA 0.378 58.469 58.100 -0.014 0.000 1.215 295 Y CB 0.066 38.522 38.460 -0.007 0.000 1.245 295 Y HN 0.132 nan 8.280 nan 0.000 0.534 296 S N 1.020 116.519 115.700 -0.335 0.000 1.552 296 S HA -0.319 4.165 4.470 0.024 0.000 0.237 296 S C -0.144 174.322 174.600 -0.222 0.000 0.756 296 S CA 2.042 60.092 58.200 -0.250 0.000 1.349 296 S CB -1.799 61.315 63.200 -0.144 0.000 1.675 296 S HN 1.036 nan 8.310 nan 0.000 0.517 297 N N 0.592 119.280 118.700 -0.021 0.000 2.745 297 N HA 0.667 5.422 4.740 0.024 0.000 0.256 297 N C -3.345 172.329 175.510 0.274 0.000 1.268 297 N CA -1.080 52.017 53.050 0.078 0.000 0.887 297 N CB 1.507 40.017 38.487 0.038 0.000 1.575 297 N HN 0.290 nan 8.380 nan 0.000 0.496 298 P HA 0.444 nan 4.420 nan 0.000 0.283 298 P C -2.671 174.644 177.300 0.025 0.000 1.278 298 P CA -1.530 61.657 63.100 0.145 0.000 0.834 298 P CB 0.158 31.911 31.700 0.088 0.000 1.150 299 P HA 0.043 nan 4.420 nan 0.000 0.264 299 P C 0.624 177.875 177.300 -0.081 0.000 1.229 299 P CA 0.242 63.310 63.100 -0.054 0.000 0.780 299 P CB 0.226 31.886 31.700 -0.068 0.000 0.808 300 A N 3.729 126.524 122.820 -0.042 0.000 1.877 300 A HA -0.247 4.088 4.320 0.024 0.000 0.216 300 A C 2.157 179.710 177.584 -0.052 0.000 1.186 300 A CA 1.801 53.804 52.037 -0.057 0.000 0.620 300 A CB -1.576 17.411 19.000 -0.021 0.000 0.822 300 A HN 0.604 nan 8.150 nan 0.000 0.443 301 H N -0.474 118.540 119.070 -0.093 0.000 2.319 301 H HA -0.060 4.497 4.556 0.002 0.000 0.299 301 H C 2.209 177.474 175.328 -0.104 0.000 1.092 301 H CA 2.165 58.164 56.048 -0.082 0.000 1.302 301 H CB -0.506 29.221 29.762 -0.059 0.000 1.373 301 H HN 0.363 nan 8.280 nan 0.000 0.497 302 G N -0.475 108.259 108.800 -0.109 0.000 2.404 302 G HA2 -0.190 3.784 3.960 0.024 0.000 0.215 302 G HA3 -0.190 3.784 3.960 0.024 0.000 0.215 302 G C 1.894 176.625 174.900 -0.281 0.000 1.174 302 G CA 0.781 45.768 45.100 -0.188 0.000 0.780 302 G HN 0.589 nan 8.290 nan 0.000 0.537 303 A N 0.452 123.085 122.820 -0.312 0.000 1.972 303 A HA 0.020 4.355 4.320 0.024 0.000 0.219 303 A C 2.590 180.026 177.584 -0.247 0.000 1.169 303 A CA 2.216 53.992 52.037 -0.435 0.000 0.635 303 A CB -0.654 17.815 19.000 -0.884 0.000 0.810 303 A HN 0.401 nan 8.150 nan 0.000 0.446 304 S N -0.692 114.870 115.700 -0.231 0.000 2.355 304 S HA -0.122 4.362 4.470 0.024 0.000 0.222 304 S C 1.930 176.414 174.600 -0.193 0.000 1.031 304 S CA 1.545 59.648 58.200 -0.163 0.000 0.993 304 S CB -0.467 62.648 63.200 -0.142 0.000 0.859 304 S HN 0.299 nan 8.310 nan 0.000 0.453 305 V N 1.568 121.304 119.914 -0.296 0.000 2.287 305 V HA -0.160 3.974 4.120 0.024 0.000 0.248 305 V C 2.480 178.371 176.094 -0.337 0.000 1.053 305 V CA 1.994 64.119 62.300 -0.291 0.000 1.027 305 V CB -0.717 30.899 31.823 -0.346 0.000 0.646 305 V HN 0.431 nan 8.190 nan 0.000 0.447 306 V N 0.137 119.750 119.914 -0.502 0.000 2.332 306 V HA -0.290 3.844 4.120 0.024 0.000 0.248 306 V C 2.653 178.441 176.094 -0.509 0.000 1.055 306 V CA 2.094 63.891 62.300 -0.839 0.000 1.038 306 V CB -1.138 30.007 31.823 -1.129 0.000 0.651 306 V HN 0.586 nan 8.190 nan 0.000 0.450 307 A N -0.284 122.391 122.820 -0.242 0.000 1.902 307 A HA -0.202 4.132 4.320 0.024 0.000 0.217 307 A C 2.382 179.881 177.584 -0.141 0.000 1.181 307 A CA 2.449 54.400 52.037 -0.143 0.000 0.623 307 A CB -0.844 18.145 19.000 -0.017 0.000 0.818 307 A HN 0.518 nan 8.150 nan 0.000 0.443 308 T N -0.002 114.471 114.554 -0.134 0.000 2.942 308 T HA 0.055 4.419 4.350 0.024 0.000 0.265 308 T C 1.780 176.389 174.700 -0.151 0.000 1.062 308 T CA 1.072 63.093 62.100 -0.131 0.000 1.139 308 T CB -0.299 68.505 68.868 -0.106 0.000 0.883 308 T HN 0.391 nan 8.240 nan 0.000 0.468 309 I N 1.033 121.513 120.570 -0.150 0.000 2.113 309 I HA -0.138 4.046 4.170 0.024 0.000 0.238 309 I C 2.240 178.310 176.117 -0.080 0.000 1.070 309 I CA 1.405 62.650 61.300 -0.092 0.000 1.332 309 I CB -0.371 37.598 38.000 -0.052 0.000 1.044 309 I HN 0.174 nan 8.210 nan 0.000 0.402 310 L N 0.453 121.593 121.223 -0.139 0.000 2.265 310 L HA -0.175 4.180 4.340 0.024 0.000 0.215 310 L C 2.540 179.370 176.870 -0.067 0.000 1.117 310 L CA 1.481 56.261 54.840 -0.100 0.000 0.782 310 L CB -0.558 41.388 42.059 -0.189 0.000 0.914 310 L HN 0.405 nan 8.230 nan 0.000 0.441 311 S N -1.946 113.704 115.700 -0.084 0.000 2.503 311 S HA -0.010 4.474 4.470 0.024 0.000 0.217 311 S C 0.930 175.495 174.600 -0.059 0.000 0.999 311 S CA -0.305 57.858 58.200 -0.062 0.000 0.914 311 S CB -0.207 62.956 63.200 -0.062 0.000 0.782 311 S HN 0.355 nan 8.310 nan 0.000 0.520 312 N N 2.074 120.730 118.700 -0.074 0.000 2.422 312 N HA 0.153 4.907 4.740 0.024 0.000 0.266 312 N C -0.155 175.332 175.510 -0.038 0.000 1.007 312 N CA -0.114 52.889 53.050 -0.078 0.000 0.941 312 N CB 1.152 39.560 38.487 -0.131 0.000 1.115 312 N HN 0.104 nan 8.380 nan 0.000 0.492 313 D N 3.001 123.385 120.400 -0.028 0.000 2.123 313 D HA -0.167 4.487 4.640 0.024 0.000 0.196 313 D C 1.341 177.637 176.300 -0.007 0.000 0.992 313 D CA 1.315 55.309 54.000 -0.010 0.000 0.833 313 D CB 0.183 40.975 40.800 -0.013 0.000 0.954 313 D HN 0.701 nan 8.370 nan 0.000 0.455 314 A N 0.985 123.793 122.820 -0.020 0.000 1.873 314 A HA -0.131 4.203 4.320 0.024 0.000 0.215 314 A C 2.181 179.762 177.584 -0.006 0.000 1.186 314 A CA 0.866 52.893 52.037 -0.017 0.000 0.616 314 A CB -0.610 18.374 19.000 -0.026 0.000 0.823 314 A HN 0.108 nan 8.150 nan 0.000 0.442 315 L N -0.452 120.763 121.223 -0.013 0.000 2.141 315 L HA -0.019 4.335 4.340 0.024 0.000 0.209 315 L C 2.493 179.408 176.870 0.076 0.000 1.094 315 L CA 1.840 56.686 54.840 0.010 0.000 0.763 315 L CB -0.668 41.371 42.059 -0.034 0.000 0.908 315 L HN 0.473 nan 8.230 nan 0.000 0.437 316 R N -0.942 119.607 120.500 0.081 0.000 2.092 316 R HA -0.105 4.249 4.340 0.024 0.000 0.231 316 R C 2.175 178.560 176.300 0.142 0.000 1.119 316 R CA 1.131 57.338 56.100 0.179 0.000 0.970 316 R CB -0.114 30.265 30.300 0.131 0.000 0.864 316 R HN 0.354 nan 8.270 nan 0.000 0.440 317 A N 1.094 123.943 122.820 0.048 0.000 1.902 317 A HA -0.133 4.201 4.320 0.024 0.000 0.217 317 A C 2.096 179.659 177.584 -0.034 0.000 1.181 317 A CA 1.294 53.325 52.037 -0.010 0.000 0.623 317 A CB -0.451 18.538 19.000 -0.018 0.000 0.818 317 A HN 0.326 nan 8.150 nan 0.000 0.443 318 I N -2.306 118.265 120.570 0.002 0.000 2.142 318 I HA -0.272 3.913 4.170 0.024 0.000 0.240 318 I C 2.444 178.551 176.117 -0.018 0.000 1.078 318 I CA 1.736 63.031 61.300 -0.007 0.000 1.343 318 I CB -0.424 37.589 38.000 0.022 0.000 1.046 318 I HN 0.733 nan 8.210 nan 0.000 0.405 319 W N 2.393 123.616 121.300 -0.127 0.000 2.335 319 W HA -0.216 4.459 4.660 0.024 0.000 0.311 319 W C 2.366 178.737 176.519 -0.248 0.000 1.213 319 W CA 1.625 58.844 57.345 -0.209 0.000 1.274 319 W CB -0.405 28.903 29.460 -0.253 0.000 1.148 319 W HN 0.080 nan 8.180 nan 0.000 0.498 320 E N -0.431 119.390 120.200 -0.632 0.000 2.118 320 E HA -0.298 4.066 4.350 0.024 0.000 0.195 320 E C 2.170 178.438 176.600 -0.555 0.000 0.992 320 E CA 1.441 57.360 56.400 -0.802 0.000 0.804 320 E CB -0.373 29.062 29.700 -0.442 0.000 0.741 320 E HN 0.322 nan 8.360 nan 0.000 0.458 321 Q N 0.674 120.268 119.800 -0.344 0.000 2.046 321 Q HA -0.161 4.194 4.340 0.024 0.000 0.200 321 Q C 1.906 177.738 176.000 -0.281 0.000 0.975 321 Q CA 1.262 56.912 55.803 -0.256 0.000 0.836 321 Q CB -0.063 28.581 28.738 -0.157 0.000 0.896 321 Q HN 0.402 nan 8.270 nan 0.000 0.428 322 E N 0.149 120.175 120.200 -0.289 0.000 2.110 322 E HA -0.195 4.169 4.350 0.024 0.000 0.193 322 E C 2.001 178.375 176.600 -0.376 0.000 0.988 322 E CA 0.842 57.090 56.400 -0.254 0.000 0.804 322 E CB -0.094 29.508 29.700 -0.163 0.000 0.745 322 E HN 0.115 nan 8.360 nan 0.000 0.458 323 L N 0.852 121.707 121.223 -0.613 0.000 2.072 323 L HA -0.106 4.249 4.340 0.024 0.000 0.205 323 L C 2.209 178.734 176.870 -0.576 0.000 1.079 323 L CA 1.855 56.273 54.840 -0.704 0.000 0.752 323 L CB -0.664 40.784 42.059 -1.018 0.000 0.906 323 L HN -0.019 nan 8.230 nan 0.000 0.436 324 T N -0.317 113.953 114.554 -0.473 0.000 2.759 324 T HA -0.163 4.201 4.350 0.024 0.000 0.269 324 T C 1.441 175.996 174.700 -0.242 0.000 1.042 324 T CA 1.560 63.462 62.100 -0.330 0.000 1.140 324 T CB -0.358 68.344 68.868 -0.276 0.000 0.864 324 T HN 0.387 nan 8.240 nan 0.000 0.455 325 D N 0.825 121.095 120.400 -0.216 0.000 2.178 325 D HA 0.005 4.659 4.640 0.024 0.000 0.201 325 D C 2.054 178.292 176.300 -0.102 0.000 0.980 325 D CA 0.895 54.819 54.000 -0.127 0.000 0.842 325 D CB -0.246 40.497 40.800 -0.095 0.000 0.948 325 D HN 0.409 nan 8.370 nan 0.000 0.472 326 M N -0.121 119.348 119.600 -0.218 0.000 2.099 326 M HA -0.105 4.389 4.480 0.024 0.000 0.262 326 M C 2.365 178.615 176.300 -0.082 0.000 1.067 326 M CA 1.092 56.241 55.300 -0.251 0.000 1.124 326 M CB -0.170 32.051 32.600 -0.633 0.000 1.353 326 M HN -0.109 nan 8.290 nan 0.000 0.410 327 R N 0.582 120.951 120.500 -0.218 0.000 2.083 327 R HA -0.209 4.145 4.340 0.024 0.000 0.237 327 R C 2.082 178.374 176.300 -0.013 0.000 1.137 327 R CA 1.971 58.006 56.100 -0.108 0.000 0.951 327 R CB -0.175 29.986 30.300 -0.231 0.000 0.851 327 R HN 0.458 nan 8.270 nan 0.000 0.434 328 Q N -0.429 119.345 119.800 -0.044 0.000 2.124 328 Q HA -0.166 4.188 4.340 0.024 0.000 0.202 328 Q C 2.254 178.271 176.000 0.028 0.000 0.977 328 Q CA 1.478 57.273 55.803 -0.012 0.000 0.850 328 Q CB -0.113 28.605 28.738 -0.033 0.000 0.901 328 Q HN 0.302 nan 8.270 nan 0.000 0.429 329 R N 0.564 121.102 120.500 0.063 0.000 2.091 329 R HA -0.158 4.196 4.340 0.024 0.000 0.238 329 R C 2.094 178.448 176.300 0.090 0.000 1.136 329 R CA 1.285 57.442 56.100 0.095 0.000 0.959 329 R CB -0.183 30.227 30.300 0.182 0.000 0.856 329 R HN 0.259 nan 8.270 nan 0.000 0.437 330 I N 0.541 121.190 120.570 0.132 0.000 2.179 330 I HA -0.305 3.879 4.170 0.024 0.000 0.242 330 I C 2.448 178.591 176.117 0.043 0.000 1.088 330 I CA 1.457 62.811 61.300 0.089 0.000 1.357 330 I CB -0.275 37.811 38.000 0.143 0.000 1.051 330 I HN 0.288 nan 8.210 nan 0.000 0.409 331 Q N 0.196 120.025 119.800 0.048 0.000 2.135 331 Q HA -0.235 4.119 4.340 0.024 0.000 0.204 331 Q C 2.355 178.371 176.000 0.028 0.000 0.981 331 Q CA 1.489 57.313 55.803 0.035 0.000 0.856 331 Q CB -0.108 28.648 28.738 0.030 0.000 0.902 331 Q HN 0.304 nan 8.270 nan 0.000 0.425 332 R N -0.245 120.270 120.500 0.025 0.000 2.092 332 R HA -0.027 4.327 4.340 0.024 0.000 0.231 332 R C 2.058 178.371 176.300 0.021 0.000 1.119 332 R CA 1.198 57.310 56.100 0.020 0.000 0.970 332 R CB -0.164 30.146 30.300 0.017 0.000 0.864 332 R HN 0.237 nan 8.270 nan 0.000 0.440 333 M N 0.138 119.747 119.600 0.015 0.000 2.175 333 M HA -0.059 4.436 4.480 0.024 0.000 0.264 333 M C 1.868 178.185 176.300 0.027 0.000 1.063 333 M CA 1.541 56.845 55.300 0.005 0.000 1.119 333 M CB -0.635 31.943 32.600 -0.037 0.000 1.377 333 M HN 0.091 nan 8.290 nan 0.000 0.415 334 R N -0.318 120.194 120.500 0.021 0.000 2.081 334 R HA -0.167 4.187 4.340 0.024 0.000 0.235 334 R C 2.238 178.594 176.300 0.093 0.000 1.131 334 R CA 1.264 57.396 56.100 0.053 0.000 0.960 334 R CB -0.385 29.936 30.300 0.035 0.000 0.856 334 R HN 0.351 nan 8.270 nan 0.000 0.436 335 Q N 0.807 120.640 119.800 0.055 0.000 2.020 335 Q HA -0.061 4.293 4.340 0.024 0.000 0.202 335 Q C 2.099 178.120 176.000 0.034 0.000 0.982 335 Q CA 1.216 57.041 55.803 0.038 0.000 0.838 335 Q CB -0.176 28.576 28.738 0.024 0.000 0.899 335 Q HN 0.274 nan 8.270 nan 0.000 0.423 336 L N -0.467 120.782 121.223 0.042 0.000 2.083 336 L HA -0.184 4.170 4.340 0.024 0.000 0.209 336 L C 2.076 178.975 176.870 0.048 0.000 1.083 336 L CA 1.149 56.008 54.840 0.032 0.000 0.752 336 L CB -0.273 41.806 42.059 0.033 0.000 0.899 336 L HN 0.338 nan 8.230 nan 0.000 0.433 337 F N -0.333 119.563 119.950 -0.089 0.000 2.075 337 F HA -0.269 4.273 4.527 0.025 0.000 0.297 337 F C 2.269 177.974 175.800 -0.158 0.000 1.113 337 F CA 1.867 59.787 58.000 -0.133 0.000 1.218 337 F CB -0.144 38.769 39.000 -0.144 0.000 0.984 337 F HN -0.222 nan 8.300 nan 0.000 0.472 338 V N 2.256 122.072 119.914 -0.164 0.000 2.255 338 V HA -0.394 3.740 4.120 0.024 0.000 0.247 338 V C 2.208 178.173 176.094 -0.215 0.000 1.051 338 V CA 2.369 64.515 62.300 -0.255 0.000 1.018 338 V CB -1.135 30.637 31.823 -0.084 0.000 0.641 338 V HN 0.629 nan 8.190 nan 0.000 0.445 339 N N -0.621 118.006 118.700 -0.122 0.000 2.409 339 N HA -0.122 4.632 4.740 0.024 0.000 0.179 339 N C 1.535 176.974 175.510 -0.118 0.000 1.032 339 N CA 1.528 54.519 53.050 -0.098 0.000 0.898 339 N CB -0.304 38.152 38.487 -0.052 0.000 0.971 339 N HN 0.439 nan 8.380 nan 0.000 0.441 340 T N 1.752 116.224 114.554 -0.138 0.000 2.867 340 T HA 0.078 4.442 4.350 0.024 0.000 0.268 340 T C 2.051 176.633 174.700 -0.197 0.000 1.057 340 T CA 0.457 62.478 62.100 -0.131 0.000 1.136 340 T CB -0.040 68.769 68.868 -0.098 0.000 0.874 340 T HN 0.142 nan 8.240 nan 0.000 0.466 341 L N 0.636 121.659 121.223 -0.333 0.000 2.056 341 L HA -0.103 4.251 4.340 0.024 0.000 0.207 341 L C 2.792 179.546 176.870 -0.194 0.000 1.078 341 L CA 1.316 55.937 54.840 -0.364 0.000 0.749 341 L CB -0.487 41.178 42.059 -0.657 0.000 0.901 341 L HN 0.279 nan 8.230 nan 0.000 0.433 342 Q N -0.516 119.196 119.800 -0.147 0.000 2.291 342 Q HA -0.222 4.133 4.340 0.024 0.000 0.205 342 Q C 1.913 177.876 176.000 -0.062 0.000 0.970 342 Q CA 1.119 56.877 55.803 -0.075 0.000 0.876 342 Q CB 0.095 28.800 28.738 -0.056 0.000 0.935 342 Q HN 0.399 nan 8.270 nan 0.000 0.455 343 E N 0.103 120.259 120.200 -0.073 0.000 2.122 343 E HA -0.063 4.301 4.350 0.024 0.000 0.190 343 E C 1.490 178.058 176.600 -0.052 0.000 0.977 343 E CA 0.665 57.033 56.400 -0.054 0.000 0.820 343 E CB 0.338 30.007 29.700 -0.051 0.000 0.770 343 E HN 0.017 nan 8.360 nan 0.000 0.462 344 K N -0.278 120.079 120.400 -0.072 0.000 2.365 344 K HA 0.094 4.428 4.320 0.024 0.000 0.199 344 K C 0.383 176.953 176.600 -0.050 0.000 1.045 344 K CA 0.820 57.069 56.287 -0.065 0.000 0.962 344 K CB -0.121 32.324 32.500 -0.091 0.000 0.759 344 K HN 0.223 nan 8.250 nan 0.000 0.469 345 G N 1.248 110.019 108.800 -0.048 0.000 3.445 345 G HA2 0.035 4.009 3.960 0.024 0.000 0.634 345 G HA3 0.035 4.009 3.960 0.024 0.000 0.634 345 G C -0.409 174.487 174.900 -0.007 0.000 0.909 345 G CA 0.013 45.099 45.100 -0.023 0.000 0.740 345 G HN 0.513 nan 8.290 nan 0.000 0.441 346 A N 2.303 125.130 122.820 0.012 0.000 2.586 346 A HA 0.787 5.122 4.320 0.024 0.000 0.290 346 A C -0.163 177.450 177.584 0.048 0.000 1.086 346 A CA -0.208 51.850 52.037 0.034 0.000 0.665 346 A CB 1.201 20.233 19.000 0.054 0.000 1.279 346 A HN 1.673 nan 8.150 nan 0.000 0.423 347 N N 1.249 119.976 118.700 0.046 0.000 2.416 347 N HA 0.308 5.063 4.740 0.024 0.000 0.265 347 N C -0.100 175.436 175.510 0.045 0.000 1.195 347 N CA 0.279 53.351 53.050 0.036 0.000 0.943 347 N CB -0.232 38.272 38.487 0.027 0.000 1.115 347 N HN 0.755 nan 8.380 nan 0.000 0.481 348 R N 1.171 121.695 120.500 0.039 0.000 2.710 348 R HA 0.502 4.857 4.340 0.024 0.000 0.270 348 R C -1.890 174.401 176.300 -0.015 0.000 1.021 348 R CA -0.865 55.244 56.100 0.015 0.000 0.889 348 R CB 1.030 31.470 30.300 0.233 0.000 1.243 348 R HN 0.195 nan 8.270 nan 0.000 0.464 349 D N 1.564 121.892 120.400 -0.119 0.000 2.411 349 D HA 0.288 4.943 4.640 0.024 0.000 0.239 349 D C -1.217 174.990 176.300 -0.155 0.000 1.307 349 D CA -0.370 53.608 54.000 -0.036 0.000 0.930 349 D CB 0.445 41.268 40.800 0.038 0.000 1.395 349 D HN 0.499 nan 8.370 nan 0.000 0.536 350 F N 0.813 120.654 119.950 -0.183 0.000 2.692 350 F HA 0.084 4.625 4.527 0.024 0.000 0.303 350 F C 2.272 177.692 175.800 -0.635 0.000 1.114 350 F CA 0.045 57.694 58.000 -0.585 0.000 1.361 350 F CB 0.231 38.957 39.000 -0.456 0.000 1.063 350 F HN 0.240 nan 8.300 nan 0.000 0.550 351 S N 0.019 115.622 115.700 -0.160 0.000 2.442 351 S HA -0.265 4.219 4.470 0.024 0.000 0.236 351 S C 1.929 176.507 174.600 -0.037 0.000 1.007 351 S CA 1.020 59.180 58.200 -0.067 0.000 0.965 351 S CB -1.344 61.869 63.200 0.021 0.000 0.773 351 S HN 0.573 nan 8.310 nan 0.000 0.504 352 F N 1.615 121.623 119.950 0.097 0.000 2.250 352 F HA 0.033 4.574 4.527 0.024 0.000 0.301 352 F C 1.852 177.734 175.800 0.137 0.000 1.077 352 F CA 0.186 58.254 58.000 0.112 0.000 1.348 352 F CB -0.848 38.215 39.000 0.105 0.000 1.040 352 F HN 0.069 nan 8.300 nan 0.000 0.509 353 I N 1.402 121.842 120.570 -0.216 0.000 2.264 353 I HA -0.257 3.928 4.170 0.024 0.000 0.248 353 I C 2.416 178.579 176.117 0.076 0.000 1.111 353 I CA 1.234 62.534 61.300 0.001 0.000 1.382 353 I CB -0.939 37.047 38.000 -0.023 0.000 1.060 353 I HN 0.254 nan 8.210 nan 0.000 0.418 354 I N 0.659 121.260 120.570 0.052 0.000 2.614 354 I HA -0.190 3.995 4.170 0.024 0.000 0.258 354 I C 2.107 178.277 176.117 0.089 0.000 1.189 354 I CA 1.104 62.443 61.300 0.064 0.000 1.462 354 I CB -0.993 37.035 38.000 0.045 0.000 1.092 354 I HN 0.213 nan 8.210 nan 0.000 0.442 355 K N 0.689 121.164 120.400 0.125 0.000 2.426 355 K HA 0.115 4.449 4.320 0.024 0.000 0.193 355 K C 0.639 177.329 176.600 0.150 0.000 1.028 355 K CA 0.167 56.537 56.287 0.138 0.000 1.047 355 K CB 0.227 32.828 32.500 0.168 0.000 0.821 355 K HN 0.467 nan 8.250 nan 0.000 0.513 356 Q N 0.720 120.616 119.800 0.159 0.000 2.226 356 Q HA 0.264 4.618 4.340 0.024 0.000 0.256 356 Q C -0.484 175.584 176.000 0.113 0.000 0.962 356 Q CA -0.589 55.308 55.803 0.157 0.000 0.887 356 Q CB 1.377 30.229 28.738 0.190 0.000 1.282 356 Q HN 0.010 nan 8.270 nan 0.000 0.449 357 N N 0.379 119.145 118.700 0.110 0.000 2.321 357 N HA 0.636 5.390 4.740 0.024 0.000 0.299 357 N C -0.225 175.302 175.510 0.028 0.000 1.048 357 N CA 0.123 53.228 53.050 0.091 0.000 0.836 357 N CB 1.921 40.489 38.487 0.135 0.000 1.269 357 N HN 0.857 nan 8.380 nan 0.000 0.486 358 G N 0.452 109.245 108.800 -0.010 0.000 2.466 358 G HA2 -0.197 3.777 3.960 0.024 0.000 0.316 358 G HA3 -0.197 3.777 3.960 0.024 0.000 0.316 358 G C 0.413 175.161 174.900 -0.253 0.000 1.270 358 G CA -0.425 44.573 45.100 -0.171 0.000 0.982 358 G HN 0.447 nan 8.290 nan 0.000 0.506 359 M N -0.374 118.913 119.600 -0.522 0.000 2.447 359 M HA 0.306 4.801 4.480 0.024 0.000 0.264 359 M C 0.194 176.034 176.300 -0.766 0.000 1.095 359 M CA 1.091 55.988 55.300 -0.672 0.000 1.125 359 M CB 0.069 32.088 32.600 -0.968 0.000 1.389 359 M HN 0.248 nan 8.290 nan 0.000 0.459 360 F N -0.124 119.701 119.950 -0.209 0.000 2.538 360 F HA 0.559 5.100 4.527 0.023 0.000 0.325 360 F C 0.304 175.998 175.800 -0.176 0.000 1.066 360 F CA -0.987 56.896 58.000 -0.196 0.000 0.946 360 F CB 1.646 40.509 39.000 -0.227 0.000 1.199 360 F HN -0.122 nan 8.300 nan 0.000 0.473 361 S N 0.087 115.803 115.700 0.028 0.000 2.578 361 S HA 0.557 5.041 4.470 0.024 0.000 0.272 361 S C -1.394 173.199 174.600 -0.012 0.000 1.145 361 S CA -1.093 57.099 58.200 -0.013 0.000 0.835 361 S CB 0.712 63.989 63.200 0.127 0.000 1.104 361 S HN 0.389 nan 8.310 nan 0.000 0.458 362 F N 2.601 122.632 119.950 0.135 0.000 2.472 362 F HA 0.272 4.813 4.527 0.025 0.000 0.364 362 F C 2.070 178.053 175.800 0.306 0.000 1.090 362 F CA -0.024 58.072 58.000 0.159 0.000 1.188 362 F CB 1.322 40.382 39.000 0.100 0.000 1.105 362 F HN 0.882 nan 8.300 nan 0.000 0.536 363 S N 1.759 117.768 115.700 0.514 0.000 2.453 363 S HA 0.096 4.580 4.470 0.024 0.000 0.231 363 S C 1.692 176.680 174.600 0.647 0.000 1.005 363 S CA 0.461 59.013 58.200 0.586 0.000 0.949 363 S CB -0.063 63.401 63.200 0.440 0.000 0.774 363 S HN 1.193 nan 8.310 nan 0.000 0.510 364 G N 0.177 109.240 108.800 0.439 0.000 2.157 364 G HA2 -0.183 3.791 3.960 0.024 0.000 0.239 364 G HA3 -0.183 3.791 3.960 0.024 0.000 0.239 364 G C -0.195 174.854 174.900 0.247 0.000 0.982 364 G CA 0.044 45.322 45.100 0.297 0.000 0.650 364 G HN 0.429 nan 8.290 nan 0.000 0.527 365 L N 1.999 123.386 121.223 0.273 0.000 2.417 365 L HA 0.603 4.957 4.340 0.024 0.000 0.268 365 L C 1.594 178.546 176.870 0.137 0.000 1.158 365 L CA 0.534 55.499 54.840 0.209 0.000 0.819 365 L CB 0.994 43.181 42.059 0.214 0.000 1.112 365 L HN 0.458 nan 8.230 nan 0.000 0.458 366 T N -0.668 113.948 114.554 0.104 0.000 2.849 366 T HA 0.234 4.598 4.350 0.024 0.000 0.284 366 T C 1.084 175.824 174.700 0.066 0.000 1.004 366 T CA -0.371 61.770 62.100 0.068 0.000 1.021 366 T CB 0.606 69.506 68.868 0.054 0.000 1.013 366 T HN 0.722 nan 8.240 nan 0.000 0.527 367 K N 0.561 120.989 120.400 0.048 0.000 2.209 367 K HA -0.152 4.182 4.320 0.024 0.000 0.204 367 K C 1.544 178.170 176.600 0.043 0.000 1.048 367 K CA 1.497 57.812 56.287 0.046 0.000 0.940 367 K CB -0.167 32.353 32.500 0.032 0.000 0.729 367 K HN 0.622 nan 8.250 nan 0.000 0.451 368 E N 1.287 121.513 120.200 0.042 0.000 2.107 368 E HA -0.096 4.269 4.350 0.024 0.000 0.191 368 E C 2.119 178.752 176.600 0.056 0.000 0.982 368 E CA 1.260 57.685 56.400 0.041 0.000 0.809 368 E CB 0.072 29.794 29.700 0.038 0.000 0.756 368 E HN 0.414 nan 8.360 nan 0.000 0.459 369 Q N -0.250 119.591 119.800 0.069 0.000 2.083 369 Q HA -0.110 4.245 4.340 0.024 0.000 0.198 369 Q C 2.378 178.431 176.000 0.087 0.000 0.969 369 Q CA 1.648 57.504 55.803 0.087 0.000 0.838 369 Q CB -0.090 28.708 28.738 0.099 0.000 0.900 369 Q HN 0.380 nan 8.270 nan 0.000 0.436 370 V N -1.479 118.481 119.914 0.078 0.000 2.626 370 V HA -0.188 3.946 4.120 0.024 0.000 0.252 370 V C 1.961 178.074 176.094 0.032 0.000 1.067 370 V CA 1.269 63.608 62.300 0.065 0.000 1.081 370 V CB -0.605 31.261 31.823 0.072 0.000 0.686 370 V HN 0.287 nan 8.190 nan 0.000 0.468 371 L N 0.999 122.240 121.223 0.030 0.000 2.005 371 L HA -0.123 4.231 4.340 0.024 0.000 0.207 371 L C 3.190 180.068 176.870 0.013 0.000 1.072 371 L CA 2.375 57.219 54.840 0.007 0.000 0.744 371 L CB -0.293 41.774 42.059 0.014 0.000 0.895 371 L HN 0.442 nan 8.230 nan 0.000 0.433 372 R N -0.928 119.605 120.500 0.054 0.000 2.280 372 R HA -0.113 4.241 4.340 0.024 0.000 0.207 372 R C 1.969 178.376 176.300 0.178 0.000 1.043 372 R CA 0.620 56.767 56.100 0.078 0.000 1.006 372 R CB -0.443 29.916 30.300 0.099 0.000 0.885 372 R HN 0.210 nan 8.270 nan 0.000 0.467 373 L N 1.575 122.909 121.223 0.185 0.000 2.017 373 L HA -0.076 4.278 4.340 0.024 0.000 0.208 373 L C 2.872 179.822 176.870 0.133 0.000 1.073 373 L CA 1.767 56.756 54.840 0.248 0.000 0.745 373 L CB -0.624 41.501 42.059 0.109 0.000 0.894 373 L HN 0.188 nan 8.230 nan 0.000 0.432 374 R N -0.614 119.846 120.500 -0.066 0.000 2.070 374 R HA -0.185 4.169 4.340 0.024 0.000 0.232 374 R C 2.277 178.465 176.300 -0.187 0.000 1.138 374 R CA 1.716 57.618 56.100 -0.330 0.000 0.936 374 R CB -0.338 29.689 30.300 -0.454 0.000 0.839 374 R HN 0.336 nan 8.270 nan 0.000 0.429 375 E N 0.605 120.742 120.200 -0.104 0.000 2.047 375 E HA -0.210 4.155 4.350 0.024 0.000 0.191 375 E C 1.575 178.112 176.600 -0.105 0.000 0.987 375 E CA 1.475 57.829 56.400 -0.077 0.000 0.799 375 E CB 0.028 29.695 29.700 -0.056 0.000 0.752 375 E HN 0.445 nan 8.360 nan 0.000 0.449 376 E N -1.933 118.167 120.200 -0.166 0.000 2.340 376 E HA -0.011 4.353 4.350 0.024 0.000 0.194 376 E C 1.146 177.374 176.600 -0.619 0.000 0.996 376 E CA 0.192 56.331 56.400 -0.434 0.000 0.869 376 E CB 0.224 29.557 29.700 -0.612 0.000 0.835 376 E HN 0.178 nan 8.360 nan 0.000 0.493 377 F N -1.671 118.282 119.950 0.004 0.000 2.789 377 F HA 0.337 4.878 4.527 0.024 0.000 0.320 377 F C 1.354 177.187 175.800 0.056 0.000 1.079 377 F CA 0.260 58.276 58.000 0.027 0.000 1.205 377 F CB 1.602 40.618 39.000 0.027 0.000 1.046 377 F HN 0.087 nan 8.300 nan 0.000 0.586 378 G N 1.268 110.190 108.800 0.203 0.000 2.143 378 G HA2 -0.239 3.735 3.960 0.024 0.000 0.249 378 G HA3 -0.239 3.735 3.960 0.024 0.000 0.249 378 G C -0.175 174.951 174.900 0.378 0.000 0.981 378 G CA 0.080 45.346 45.100 0.277 0.000 0.665 378 G HN 0.135 nan 8.290 nan 0.000 0.528 379 V N 0.776 120.839 119.914 0.248 0.000 2.432 379 V HA 0.542 4.676 4.120 0.024 0.000 0.275 379 V C 0.025 176.211 176.094 0.153 0.000 1.043 379 V CA -0.624 61.817 62.300 0.235 0.000 0.925 379 V CB 0.909 32.812 31.823 0.133 0.000 0.985 379 V HN 0.248 nan 8.190 nan 0.000 0.466 380 Y N 3.145 123.520 120.300 0.124 0.000 2.331 380 Y HA 0.719 5.284 4.550 0.025 0.000 0.338 380 Y C 0.418 176.337 175.900 0.031 0.000 0.992 380 Y CA -0.249 57.907 58.100 0.094 0.000 1.121 380 Y CB 1.880 40.403 38.460 0.106 0.000 1.184 380 Y HN 0.755 nan 8.280 nan 0.000 0.469 381 A N 2.053 124.946 122.820 0.121 0.000 2.566 381 A HA 0.773 5.107 4.320 0.024 0.000 0.292 381 A C -1.406 176.238 177.584 0.100 0.000 1.112 381 A CA -0.809 51.286 52.037 0.097 0.000 0.707 381 A CB 0.828 19.880 19.000 0.087 0.000 1.302 381 A HN 0.425 nan 8.150 nan 0.000 0.409 382 V N 1.406 121.381 119.914 0.101 0.000 2.686 382 V HA 0.352 4.486 4.120 0.024 0.000 0.295 382 V C 1.804 177.961 176.094 0.106 0.000 1.055 382 V CA 0.550 62.908 62.300 0.097 0.000 1.050 382 V CB 0.903 32.780 31.823 0.089 0.000 0.984 382 V HN 1.375 nan 8.190 nan 0.000 0.482 383 A N 3.479 126.350 122.820 0.085 0.000 2.148 383 A HA -0.157 4.178 4.320 0.024 0.000 0.222 383 A C 2.129 179.765 177.584 0.087 0.000 1.161 383 A CA 2.035 54.117 52.037 0.075 0.000 0.662 383 A CB -0.564 18.467 19.000 0.053 0.000 0.799 383 A HN 1.080 nan 8.150 nan 0.000 0.466 384 S N -2.219 113.556 115.700 0.126 0.000 2.603 384 S HA 0.371 4.855 4.470 0.024 0.000 0.220 384 S C 1.416 176.128 174.600 0.187 0.000 0.967 384 S CA 0.926 59.205 58.200 0.131 0.000 0.920 384 S CB -0.279 63.057 63.200 0.227 0.000 0.773 384 S HN 1.893 nan 8.310 nan 0.000 0.529 385 G N 0.506 109.440 108.800 0.224 0.000 2.157 385 G HA2 -0.237 3.738 3.960 0.024 0.000 0.248 385 G HA3 -0.237 3.738 3.960 0.024 0.000 0.248 385 G C -0.134 174.989 174.900 0.373 0.000 0.979 385 G CA 0.053 45.317 45.100 0.272 0.000 0.650 385 G HN 0.606 nan 8.290 nan 0.000 0.529 386 L N 1.122 122.568 121.223 0.371 0.000 2.455 386 L HA 0.673 5.027 4.340 0.024 0.000 0.272 386 L C 0.327 177.274 176.870 0.128 0.000 1.174 386 L CA -0.139 54.815 54.840 0.190 0.000 0.869 386 L CB 1.406 43.496 42.059 0.051 0.000 1.130 386 L HN 0.163 nan 8.230 nan 0.000 0.474 387 V N 5.614 125.582 119.914 0.091 0.000 2.735 387 V HA 0.468 4.602 4.120 0.024 0.000 0.310 387 V C -0.660 175.444 176.094 0.016 0.000 1.061 387 V CA -0.872 61.444 62.300 0.027 0.000 0.913 387 V CB 2.120 33.921 31.823 -0.037 0.000 1.005 387 V HN 0.890 nan 8.190 nan 0.000 0.428 388 N N 4.317 122.990 118.700 -0.046 0.000 2.457 388 N HA 0.221 4.975 4.740 0.024 0.000 0.250 388 N C 0.616 175.964 175.510 -0.269 0.000 0.982 388 N CA -0.115 52.810 53.050 -0.209 0.000 0.941 388 N CB 1.825 40.198 38.487 -0.189 0.000 1.120 388 N HN 0.370 nan 8.380 nan 0.000 0.505 389 V N 3.231 122.959 119.914 -0.310 0.000 2.568 389 V HA -0.197 3.937 4.120 0.024 0.000 0.253 389 V C 2.068 178.021 176.094 -0.237 0.000 1.072 389 V CA 2.170 64.299 62.300 -0.285 0.000 1.084 389 V CB -0.774 30.904 31.823 -0.242 0.000 0.676 389 V HN 0.789 nan 8.190 nan 0.000 0.469 390 A N 0.097 122.766 122.820 -0.252 0.000 2.239 390 A HA 0.140 4.474 4.320 0.024 0.000 0.209 390 A C 2.094 179.518 177.584 -0.266 0.000 1.171 390 A CA 1.080 52.964 52.037 -0.256 0.000 0.768 390 A CB -0.529 18.304 19.000 -0.278 0.000 0.790 390 A HN 0.540 nan 8.150 nan 0.000 0.478 391 G N -1.078 107.588 108.800 -0.224 0.000 3.042 391 G HA2 0.336 4.310 3.960 0.024 0.000 0.212 391 G HA3 0.336 4.310 3.960 0.024 0.000 0.212 391 G C 0.469 175.281 174.900 -0.147 0.000 1.166 391 G CA -0.284 44.705 45.100 -0.186 0.000 0.767 391 G HN 0.452 nan 8.290 nan 0.000 0.546 392 M N 1.703 121.212 119.600 -0.152 0.000 2.318 392 M HA 0.426 4.920 4.480 0.024 0.000 0.347 392 M C 0.069 176.318 176.300 -0.084 0.000 1.175 392 M CA -0.292 54.943 55.300 -0.109 0.000 1.075 392 M CB 1.990 34.514 32.600 -0.125 0.000 1.614 392 M HN 0.075 nan 8.290 nan 0.000 0.456 393 T N -1.015 113.509 114.554 -0.050 0.000 2.916 393 T HA 0.485 4.849 4.350 0.024 0.000 0.292 393 T C -2.486 172.204 174.700 -0.017 0.000 1.055 393 T CA -1.946 60.131 62.100 -0.039 0.000 1.009 393 T CB 1.768 70.616 68.868 -0.034 0.000 1.118 393 T HN 0.274 nan 8.240 nan 0.000 0.497 394 P HA -0.121 nan 4.420 nan 0.000 0.217 394 P C 0.928 178.228 177.300 -0.001 0.000 1.148 394 P CA 1.172 64.270 63.100 -0.003 0.000 0.834 394 P CB 0.093 31.791 31.700 -0.002 0.000 0.783 395 D N -1.444 118.955 120.400 -0.001 0.000 2.162 395 D HA -0.081 4.573 4.640 0.024 0.000 0.203 395 D C 1.433 177.738 176.300 0.007 0.000 0.967 395 D CA 1.071 55.073 54.000 0.003 0.000 0.840 395 D CB -0.553 40.249 40.800 0.004 0.000 0.972 395 D HN 0.310 nan 8.370 nan 0.000 0.482 396 N N 0.461 119.164 118.700 0.006 0.000 2.412 396 N HA -0.068 4.686 4.740 0.024 0.000 0.184 396 N C 1.560 177.079 175.510 0.016 0.000 1.101 396 N CA 0.153 53.212 53.050 0.015 0.000 0.881 396 N CB -0.265 38.232 38.487 0.017 0.000 0.969 396 N HN -0.021 nan 8.380 nan 0.000 0.459 397 M N 1.024 120.632 119.600 0.014 0.000 2.108 397 M HA 0.043 4.537 4.480 0.024 0.000 0.261 397 M C 1.907 178.214 176.300 0.013 0.000 1.066 397 M CA 1.518 56.834 55.300 0.027 0.000 1.107 397 M CB -0.679 31.937 32.600 0.026 0.000 1.356 397 M HN 0.303 nan 8.290 nan 0.000 0.406 398 A N 0.563 123.383 122.820 0.001 0.000 1.873 398 A HA -0.037 4.297 4.320 0.024 0.000 0.215 398 A C -0.247 177.329 177.584 -0.014 0.000 1.186 398 A CA 1.513 53.543 52.037 -0.013 0.000 0.616 398 A CB -2.282 16.712 19.000 -0.008 0.000 0.823 398 A HN 0.502 nan 8.150 nan 0.000 0.442 399 P HA -0.159 nan 4.420 nan 0.000 0.218 399 P C 1.807 179.096 177.300 -0.019 0.000 1.148 399 P CA 0.822 63.925 63.100 0.005 0.000 0.822 399 P CB -0.155 31.566 31.700 0.035 0.000 0.784 400 L N -0.236 120.985 121.223 -0.004 0.000 1.976 400 L HA -0.174 4.180 4.340 0.024 0.000 0.209 400 L C 2.470 179.312 176.870 -0.046 0.000 1.071 400 L CA 2.028 56.865 54.840 -0.004 0.000 0.746 400 L CB -0.819 41.264 42.059 0.040 0.000 0.890 400 L HN 0.041 nan 8.230 nan 0.000 0.432 401 C N -0.114 119.156 119.300 -0.049 0.000 2.435 401 C HA -0.121 4.353 4.460 0.024 0.000 0.279 401 C C 2.498 177.397 174.990 -0.151 0.000 1.321 401 C CA 0.444 59.388 59.018 -0.124 0.000 1.752 401 C CB -0.838 26.813 27.740 -0.149 0.000 1.959 401 C HN 0.541 nan 8.230 nan 0.000 0.500 402 E N 1.052 121.175 120.200 -0.128 0.000 2.051 402 E HA -0.174 4.190 4.350 0.024 0.000 0.192 402 E C 2.432 178.867 176.600 -0.274 0.000 0.991 402 E CA 1.372 57.687 56.400 -0.142 0.000 0.799 402 E CB -0.272 29.378 29.700 -0.083 0.000 0.748 402 E HN 0.664 nan 8.360 nan 0.000 0.449 403 A N 1.406 123.979 122.820 -0.411 0.000 1.883 403 A HA -0.211 4.123 4.320 0.024 0.000 0.217 403 A C 2.189 179.403 177.584 -0.617 0.000 1.186 403 A CA 1.317 52.804 52.037 -0.916 0.000 0.624 403 A CB -0.700 17.866 19.000 -0.724 0.000 0.822 403 A HN 0.154 nan 8.150 nan 0.000 0.444 404 I N -0.585 119.805 120.570 -0.301 0.000 2.179 404 I HA -0.211 3.973 4.170 0.024 0.000 0.242 404 I C 2.359 178.401 176.117 -0.125 0.000 1.088 404 I CA 1.171 62.375 61.300 -0.161 0.000 1.357 404 I CB -0.394 37.537 38.000 -0.116 0.000 1.051 404 I HN 0.155 nan 8.210 nan 0.000 0.409 405 V N 1.230 121.060 119.914 -0.140 0.000 2.392 405 V HA -0.220 3.914 4.120 0.024 0.000 0.249 405 V C 1.666 177.731 176.094 -0.049 0.000 1.059 405 V CA 1.368 63.623 62.300 -0.076 0.000 1.051 405 V CB -1.034 30.739 31.823 -0.083 0.000 0.658 405 V HN 0.448 nan 8.190 nan 0.000 0.455 409 L N 0.000 121.263 121.223 0.067 0.000 2.949 409 L HA 0.000 4.354 4.340 0.024 0.000 0.249 409 L CA 0.000 54.890 54.840 0.084 0.000 0.813 409 L CB 0.000 42.119 42.059 0.100 0.000 0.961 409 L HN 0.000 nan 8.230 nan 0.000 0.502