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 3gyc_1_A DATA FIRST_RESID 39 DATA SEQUENCE EISPRAITXW DFSWLERRWP GAGYEDWDQV LDELSERGYN AIRIDAYPHL DATA SEQUENCE IAENPXKKWL LKEVWNQQDW GSPDXNEVQV QPNLNLFLSK CKERDIKVGL DATA SEQUENCE SSWYRLDVDE VCLKLDTPEK LADCWLTILR SIEEDGLLDT ILYVDLCNEW DATA SEQUENCE PGDSWAPFFA KTYPNVGWGN WYKEESLRWX KTSLEKXRQV YPDXPFLYSF DATA SEQUENCE DHGDVKKYEE VDCSFLDLYE HHIWXAQQNG GEFYKLVGYG YNRFLPDDYK DATA SEQUENCE NVVKNAERVY RERPGYWQKL LTDKIELXAS VARKNRRPLV TTECWGLVDY DATA SEQUENCE KDWPLLKWDW VKDLCELGTI TAARTGXWVG VATSNFCGPQ FAGXWRDVEW DATA SEQUENCE HKRLTSIIRS SPLDESLTKN NEVAAKLLKR L 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 39 E HA 0.000 nan 4.350 nan 0.000 0.291 39 E C 0.000 176.586 176.600 -0.023 0.000 1.382 39 E CA 0.000 56.387 56.400 -0.022 0.000 0.976 39 E CB 0.000 29.687 29.700 -0.022 0.000 0.812 40 I N 1.718 122.273 120.570 -0.024 0.000 2.371 40 I HA 0.441 4.611 4.170 0.001 0.000 0.290 40 I C 0.400 176.504 176.117 -0.022 0.000 1.028 40 I CA -0.429 60.856 61.300 -0.025 0.000 1.345 40 I CB 1.645 39.629 38.000 -0.028 0.000 1.407 40 I HN 0.431 nan 8.210 nan 0.000 0.501 41 S N 7.379 123.066 115.700 -0.021 0.000 2.508 41 S HA 0.423 4.894 4.470 0.001 0.000 0.284 41 S C -2.213 172.380 174.600 -0.011 0.000 1.192 41 S CA -1.137 57.052 58.200 -0.019 0.000 1.070 41 S CB 1.237 64.422 63.200 -0.024 0.000 1.004 41 S HN 0.340 nan 8.310 nan 0.000 0.493 42 P HA 0.191 nan 4.420 nan 0.000 0.271 42 P C -0.425 176.882 177.300 0.013 0.000 1.233 42 P CA -0.265 62.845 63.100 0.017 0.000 0.789 42 P CB 0.501 32.224 31.700 0.038 0.000 0.951 43 R N 0.780 121.298 120.500 0.030 0.000 2.474 43 R HA 0.639 4.979 4.340 0.001 0.000 0.295 43 R C -0.454 175.882 176.300 0.060 0.000 0.980 43 R CA -0.822 55.296 56.100 0.030 0.000 0.934 43 R CB 1.636 31.953 30.300 0.028 0.000 1.101 43 R HN 0.454 nan 8.270 nan 0.000 0.469 44 A N 4.398 127.249 122.820 0.051 0.000 2.279 44 A HA 0.351 4.672 4.320 0.001 0.000 0.306 44 A C -0.176 177.557 177.584 0.248 0.000 1.300 44 A CA -0.413 51.691 52.037 0.111 0.000 0.925 44 A CB 0.123 19.088 19.000 -0.057 0.000 1.152 44 A HN 0.762 nan 8.150 nan 0.000 0.544 45 I N 2.163 122.884 120.570 0.252 0.000 2.648 45 I HA 0.663 4.833 4.170 0.001 0.000 0.304 45 I C 0.265 176.438 176.117 0.093 0.000 1.009 45 I CA -0.083 61.308 61.300 0.152 0.000 1.114 45 I CB 2.270 40.333 38.000 0.106 0.000 1.293 45 I HN 0.655 nan 8.210 nan 0.000 0.449 49 D N 0.856 121.228 120.400 -0.048 0.000 3.750 49 D HA -0.347 4.293 4.640 0.001 0.000 0.149 49 D C 0.854 176.975 176.300 -0.298 0.000 0.867 49 D CA 2.331 55.963 54.000 -0.612 0.000 1.010 49 D CB -1.642 38.367 40.800 -1.319 0.000 0.462 49 D HN 0.190 nan 8.370 nan 0.000 0.436 50 F N -1.452 118.255 119.950 -0.406 0.000 2.695 50 F HA 0.515 5.042 4.527 0.001 0.000 0.303 50 F C 2.406 178.035 175.800 -0.284 0.000 1.091 50 F CA 0.018 57.868 58.000 -0.250 0.000 1.300 50 F CB 0.001 38.811 39.000 -0.316 0.000 1.071 50 F HN 0.035 nan 8.300 nan 0.000 0.578 51 S N 1.699 117.146 115.700 -0.421 0.000 2.402 51 S HA -0.149 4.321 4.470 0.001 0.000 0.229 51 S C 1.824 175.905 174.600 -0.865 0.000 1.021 51 S CA 1.271 59.138 58.200 -0.554 0.000 0.974 51 S CB -0.656 62.162 63.200 -0.637 0.000 0.800 51 S HN 0.788 nan 8.310 nan 0.000 0.484 52 W N 1.387 122.232 121.300 -0.758 0.000 2.350 52 W HA -0.068 4.592 4.660 0.001 0.000 0.289 52 W C 1.497 177.960 176.519 -0.092 0.000 1.215 52 W CA 0.558 57.549 57.345 -0.590 0.000 1.236 52 W CB -0.876 28.192 29.460 -0.652 0.000 1.130 52 W HN 0.315 nan 8.180 nan 0.000 0.541 53 L N 1.058 121.547 121.223 -1.224 0.000 2.316 53 L HA 0.143 4.484 4.340 0.001 0.000 0.207 53 L C 2.460 179.098 176.870 -0.387 0.000 1.070 53 L CA 1.715 55.978 54.840 -0.962 0.000 0.820 53 L CB -0.616 40.515 42.059 -1.547 0.000 0.992 53 L HN -0.156 nan 8.230 nan 0.000 0.466 54 E N -0.426 119.607 120.200 -0.278 0.000 2.170 54 E HA 0.012 4.362 4.350 0.001 0.000 0.191 54 E C 0.596 177.219 176.600 0.038 0.000 0.981 54 E CA 0.225 56.612 56.400 -0.021 0.000 0.830 54 E CB 0.164 29.951 29.700 0.144 0.000 0.775 54 E HN 0.305 nan 8.360 nan 0.000 0.470 55 R N 1.445 121.834 120.500 -0.185 0.000 4.071 55 R HA 0.223 4.564 4.340 0.001 0.000 0.220 55 R C 0.241 176.253 176.300 -0.480 0.000 1.614 55 R CA 0.059 55.852 56.100 -0.512 0.000 1.505 55 R CB 0.146 30.201 30.300 -0.407 0.000 1.384 55 R HN 0.002 nan 8.270 nan 0.000 0.758 56 R N 0.403 120.706 120.500 -0.327 0.000 2.629 56 R HA 0.080 4.421 4.340 0.001 0.000 0.408 56 R C -0.478 175.763 176.300 -0.099 0.000 1.057 56 R CA -0.431 55.539 56.100 -0.216 0.000 1.119 56 R CB 0.379 30.595 30.300 -0.141 0.000 1.403 56 R HN 0.269 nan 8.270 nan 0.000 0.576 57 W N 1.281 122.559 121.300 -0.036 0.000 2.141 57 W HA 0.509 5.169 4.660 0.001 0.000 0.354 57 W C -2.557 173.939 176.519 -0.039 0.000 1.297 57 W CA -3.025 54.300 57.345 -0.034 0.000 1.380 57 W CB -0.630 28.817 29.460 -0.021 0.000 1.168 57 W HN -0.279 nan 8.180 nan 0.000 0.639 58 P HA 0.122 nan 4.420 nan 0.000 0.260 58 P C 0.847 178.142 177.300 -0.009 0.000 1.185 58 P CA 2.188 65.320 63.100 0.053 0.000 0.763 58 P CB 0.385 32.145 31.700 0.100 0.000 0.776 59 G N 3.389 112.117 108.800 -0.121 0.000 2.168 59 G HA2 -0.342 3.619 3.960 0.001 0.000 0.263 59 G HA3 -0.342 3.619 3.960 0.001 0.000 0.263 59 G C 1.084 175.808 174.900 -0.293 0.000 0.977 59 G CA 0.342 45.351 45.100 -0.153 0.000 0.659 59 G HN 0.668 nan 8.290 nan 0.000 0.533 60 A N -0.944 121.537 122.820 -0.565 0.000 2.119 60 A HA 0.512 4.832 4.320 0.001 0.000 0.217 60 A C 2.725 179.970 177.584 -0.565 0.000 1.153 60 A CA 2.325 53.833 52.037 -0.882 0.000 0.692 60 A CB -0.315 17.449 19.000 -2.059 0.000 0.799 60 A HN 2.446 nan 8.150 nan 0.000 0.458 61 G N -2.716 105.796 108.800 -0.480 0.000 2.481 61 G HA2 -0.223 3.737 3.960 0.001 0.000 0.200 61 G HA3 -0.223 3.737 3.960 0.001 0.000 0.200 61 G C 0.373 174.819 174.900 -0.758 0.000 1.012 61 G CA 0.255 44.985 45.100 -0.617 0.000 0.676 61 G HN 0.488 nan 8.290 nan 0.000 0.488 62 Y N 1.650 121.730 120.300 -0.367 0.000 2.706 62 Y HA 0.451 5.001 4.550 0.001 0.000 0.255 62 Y C 1.798 177.575 175.900 -0.205 0.000 1.163 62 Y CA 0.161 58.137 58.100 -0.208 0.000 1.174 62 Y CB 0.344 38.723 38.460 -0.135 0.000 1.200 62 Y HN 0.377 nan 8.280 nan 0.000 0.544 63 E N 0.492 120.591 120.200 -0.167 0.000 2.077 63 E HA -0.179 4.171 4.350 0.001 0.000 0.193 63 E C 0.326 176.774 176.600 -0.253 0.000 0.989 63 E CA 1.306 57.573 56.400 -0.223 0.000 0.800 63 E CB 0.175 29.766 29.700 -0.181 0.000 0.746 63 E HN 0.150 nan 8.360 nan 0.000 0.452 64 D N -0.883 119.437 120.400 -0.134 0.000 2.472 64 D HA -0.002 4.638 4.640 0.001 0.000 0.234 64 D C 0.082 176.467 176.300 0.140 0.000 1.088 64 D CA -0.478 53.494 54.000 -0.045 0.000 0.882 64 D CB 0.181 40.973 40.800 -0.012 0.000 1.037 64 D HN 0.067 nan 8.370 nan 0.000 0.520 65 W N 2.251 123.656 121.300 0.175 0.000 2.363 65 W HA -0.094 4.567 4.660 0.001 0.000 0.296 65 W C 1.445 178.094 176.519 0.218 0.000 1.212 65 W CA 0.346 57.861 57.345 0.283 0.000 1.260 65 W CB -0.457 29.248 29.460 0.408 0.000 1.131 65 W HN 0.485 nan 8.180 nan 0.000 0.530 66 D N -0.328 120.289 120.400 0.362 0.000 2.117 66 D HA -0.211 4.430 4.640 0.001 0.000 0.197 66 D C 1.988 178.410 176.300 0.202 0.000 0.987 66 D CA 1.534 55.672 54.000 0.230 0.000 0.829 66 D CB -0.463 40.432 40.800 0.158 0.000 0.961 66 D HN 0.316 nan 8.370 nan 0.000 0.460 67 Q N 1.051 120.958 119.800 0.177 0.000 2.050 67 Q HA -0.150 4.191 4.340 0.001 0.000 0.202 67 Q C 2.414 178.543 176.000 0.215 0.000 0.980 67 Q CA 1.991 57.885 55.803 0.151 0.000 0.840 67 Q CB 0.102 28.898 28.738 0.096 0.000 0.898 67 Q HN 0.269 nan 8.270 nan 0.000 0.424 68 V N -1.653 118.415 119.914 0.256 0.000 2.548 68 V HA -0.143 3.978 4.120 0.001 0.000 0.249 68 V C 2.164 178.604 176.094 0.577 0.000 1.055 68 V CA 1.187 63.695 62.300 0.346 0.000 1.065 68 V CB -0.647 31.206 31.823 0.050 0.000 0.681 68 V HN 0.299 nan 8.190 nan 0.000 0.462 69 L N 0.218 121.736 121.223 0.491 0.000 2.156 69 L HA -0.053 4.288 4.340 0.001 0.000 0.208 69 L C 2.506 179.521 176.870 0.241 0.000 1.095 69 L CA 1.589 56.649 54.840 0.367 0.000 0.770 69 L CB -0.706 41.477 42.059 0.207 0.000 0.914 69 L HN 0.295 nan 8.230 nan 0.000 0.439 70 D N 0.150 120.675 120.400 0.208 0.000 2.117 70 D HA -0.167 4.473 4.640 0.001 0.000 0.198 70 D C 2.080 178.465 176.300 0.142 0.000 0.982 70 D CA 1.084 55.167 54.000 0.138 0.000 0.828 70 D CB -0.006 40.861 40.800 0.110 0.000 0.967 70 D HN 0.366 nan 8.370 nan 0.000 0.464 71 E N 0.073 120.402 120.200 0.214 0.000 2.077 71 E HA -0.149 4.202 4.350 0.001 0.000 0.193 71 E C 2.061 178.718 176.600 0.095 0.000 0.989 71 E CA 0.284 56.782 56.400 0.163 0.000 0.800 71 E CB -0.066 29.844 29.700 0.350 0.000 0.746 71 E HN 0.088 nan 8.360 nan 0.000 0.452 72 L N 0.950 122.395 121.223 0.369 0.000 2.012 72 L HA -0.192 4.149 4.340 0.001 0.000 0.210 72 L C 2.204 179.190 176.870 0.194 0.000 1.073 72 L CA 1.831 56.895 54.840 0.375 0.000 0.748 72 L CB -0.477 41.826 42.059 0.406 0.000 0.891 72 L HN -0.068 nan 8.230 nan 0.000 0.431 73 S N -0.799 114.976 115.700 0.126 0.000 2.368 73 S HA -0.228 4.243 4.470 0.001 0.000 0.225 73 S C 1.858 176.465 174.600 0.011 0.000 1.030 73 S CA 1.297 59.529 58.200 0.054 0.000 0.999 73 S CB -0.367 62.854 63.200 0.036 0.000 0.844 73 S HN 0.594 nan 8.310 nan 0.000 0.459 74 E N 1.204 121.407 120.200 0.004 0.000 2.118 74 E HA -0.180 4.171 4.350 0.001 0.000 0.195 74 E C 1.883 178.446 176.600 -0.061 0.000 0.992 74 E CA 0.908 57.289 56.400 -0.031 0.000 0.804 74 E CB 0.002 29.680 29.700 -0.036 0.000 0.741 74 E HN 0.395 nan 8.360 nan 0.000 0.458 75 R N -1.223 119.228 120.500 -0.081 0.000 2.276 75 R HA 0.047 4.388 4.340 0.001 0.000 0.203 75 R C 1.386 177.586 176.300 -0.167 0.000 1.017 75 R CA 0.580 56.626 56.100 -0.091 0.000 1.010 75 R CB 0.313 30.522 30.300 -0.151 0.000 0.900 75 R HN 0.354 nan 8.270 nan 0.000 0.469 76 G N -0.565 108.147 108.800 -0.146 0.000 2.159 76 G HA2 -0.277 3.683 3.960 0.001 0.000 0.227 76 G HA3 -0.277 3.683 3.960 0.001 0.000 0.227 76 G C -0.328 174.393 174.900 -0.299 0.000 0.986 76 G CA -0.457 44.511 45.100 -0.219 0.000 0.651 76 G HN 0.233 nan 8.290 nan 0.000 0.523 77 Y N 1.085 121.375 120.300 -0.017 0.000 2.346 77 Y HA 0.444 4.995 4.550 0.001 0.000 0.330 77 Y C 1.314 177.185 175.900 -0.047 0.000 1.178 77 Y CA 0.117 58.206 58.100 -0.017 0.000 1.331 77 Y CB 0.949 39.406 38.460 -0.004 0.000 1.253 77 Y HN 0.284 nan 8.280 nan 0.000 0.529 78 N N 0.341 119.083 118.700 0.071 0.000 2.240 78 N HA 0.464 5.204 4.740 0.001 0.000 0.240 78 N C -1.024 174.473 175.510 -0.022 0.000 1.277 78 N CA -0.073 52.978 53.050 0.002 0.000 0.873 78 N CB 0.595 39.069 38.487 -0.022 0.000 1.222 78 N HN 0.487 nan 8.380 nan 0.000 0.507 79 A N 0.251 123.064 122.820 -0.012 0.000 2.594 79 A HA 0.800 5.121 4.320 0.001 0.000 0.295 79 A C -1.565 175.945 177.584 -0.124 0.000 1.071 79 A CA -0.675 51.326 52.037 -0.060 0.000 0.685 79 A CB 1.278 20.273 19.000 -0.007 0.000 1.285 79 A HN 0.152 nan 8.150 nan 0.000 0.405 80 I N 0.679 121.142 120.570 -0.180 0.000 2.686 80 I HA 0.511 4.682 4.170 0.001 0.000 0.295 80 I C -0.096 175.926 176.117 -0.159 0.000 1.114 80 I CA -0.570 60.582 61.300 -0.246 0.000 1.038 80 I CB 2.317 40.107 38.000 -0.350 0.000 1.238 80 I HN 0.763 nan 8.210 nan 0.000 0.420 81 R N 7.024 127.469 120.500 -0.091 0.000 2.255 81 R HA 0.741 5.082 4.340 0.001 0.000 0.326 81 R C -1.213 175.112 176.300 0.042 0.000 0.986 81 R CA -0.367 55.714 56.100 -0.032 0.000 0.847 81 R CB 1.042 31.391 30.300 0.081 0.000 1.111 81 R HN 0.763 nan 8.270 nan 0.000 0.452 82 I N -0.533 120.042 120.570 0.007 0.000 3.042 82 I HA 0.476 4.647 4.170 0.001 0.000 0.310 82 I C -0.882 175.389 176.117 0.256 0.000 1.117 82 I CA -1.222 60.108 61.300 0.050 0.000 1.003 82 I CB 2.114 39.867 38.000 -0.412 0.000 1.228 82 I HN 0.400 nan 8.210 nan 0.000 0.443 83 D N 2.663 123.325 120.400 0.437 0.000 2.312 83 D HA 0.398 5.038 4.640 0.001 0.000 0.252 83 D C 0.570 177.102 176.300 0.386 0.000 1.150 83 D CA -0.013 54.241 54.000 0.425 0.000 0.870 83 D CB 2.051 43.002 40.800 0.252 0.000 1.153 83 D HN 0.738 nan 8.370 nan 0.000 0.457 84 A N 3.856 126.815 122.820 0.232 0.000 2.238 84 A HA 0.007 4.327 4.320 0.001 0.000 0.210 84 A C 0.266 177.995 177.584 0.241 0.000 1.179 84 A CA -0.087 52.081 52.037 0.218 0.000 0.827 84 A CB -0.533 18.508 19.000 0.069 0.000 0.856 84 A HN 0.701 nan 8.150 nan 0.000 0.488 85 Y N -1.688 118.615 120.300 0.004 0.000 3.037 85 Y HA -0.210 4.341 4.550 0.001 0.000 0.204 85 Y C -1.213 174.529 175.900 -0.264 0.000 1.275 85 Y CA 0.288 58.323 58.100 -0.109 0.000 1.066 85 Y CB -1.856 36.505 38.460 -0.165 0.000 1.305 85 Y HN 0.417 nan 8.280 nan 0.000 0.499 86 P HA -0.266 nan 4.420 nan 0.000 0.217 86 P C 1.621 178.793 177.300 -0.213 0.000 1.150 86 P CA 2.539 65.372 63.100 -0.445 0.000 0.832 86 P CB -0.138 30.849 31.700 -1.188 0.000 0.787 87 H N 0.221 119.154 119.070 -0.228 0.000 2.387 87 H HA -0.058 4.498 4.556 0.001 0.000 0.299 87 H C 1.981 177.200 175.328 -0.182 0.000 1.099 87 H CA 1.074 57.050 56.048 -0.119 0.000 1.315 87 H CB -1.473 28.301 29.762 0.019 0.000 1.380 87 H HN 0.149 nan 8.280 nan 0.000 0.513 88 L N 0.139 120.890 121.223 -0.787 0.000 2.095 88 L HA -0.028 4.313 4.340 0.001 0.000 0.204 88 L C 2.986 179.735 176.870 -0.202 0.000 1.080 88 L CA 0.793 55.126 54.840 -0.845 0.000 0.759 88 L CB -0.320 40.968 42.059 -1.285 0.000 0.914 88 L HN 0.142 nan 8.230 nan 0.000 0.439 89 I N 0.337 120.825 120.570 -0.137 0.000 2.286 89 I HA -0.257 3.913 4.170 0.001 0.000 0.248 89 I C 2.710 178.848 176.117 0.035 0.000 1.115 89 I CA 1.145 62.447 61.300 0.004 0.000 1.392 89 I CB -0.334 37.659 38.000 -0.011 0.000 1.065 89 I HN 0.199 nan 8.210 nan 0.000 0.418 90 A N -0.094 122.723 122.820 -0.005 0.000 2.014 90 A HA -0.114 4.207 4.320 0.001 0.000 0.218 90 A C 2.225 179.856 177.584 0.078 0.000 1.163 90 A CA 1.077 53.131 52.037 0.029 0.000 0.652 90 A CB -0.214 18.789 19.000 0.005 0.000 0.808 90 A HN 0.325 nan 8.150 nan 0.000 0.449 91 E N -0.565 119.707 120.200 0.122 0.000 2.030 91 E HA -0.033 4.317 4.350 0.001 0.000 0.189 91 E C -0.105 176.642 176.600 0.245 0.000 0.974 91 E CA 0.641 57.169 56.400 0.213 0.000 0.807 91 E CB 0.026 29.932 29.700 0.343 0.000 0.771 91 E HN 0.466 nan 8.360 nan 0.000 0.451 92 N N 0.470 119.392 118.700 0.369 0.000 2.747 92 N HA 0.153 4.894 4.740 0.001 0.000 0.262 92 N C -2.886 172.786 175.510 0.270 0.000 1.261 92 N CA -1.478 51.709 53.050 0.229 0.000 0.809 92 N CB 1.355 39.877 38.487 0.058 0.000 1.450 92 N HN -0.221 nan 8.380 nan 0.000 0.560 96 K N 3.176 123.390 120.400 -0.310 0.000 2.284 96 K HA 0.189 4.510 4.320 0.001 0.000 0.287 96 K C -1.093 175.377 176.600 -0.216 0.000 1.081 96 K CA -0.338 55.852 56.287 -0.161 0.000 0.910 96 K CB 0.423 32.866 32.500 -0.094 0.000 1.088 96 K HN 0.288 nan 8.250 nan 0.000 0.478 97 W N 3.617 124.878 121.300 -0.064 0.000 2.365 97 W HA 0.253 4.914 4.660 0.001 0.000 0.316 97 W C -0.096 176.400 176.519 -0.038 0.000 1.164 97 W CA -0.858 56.456 57.345 -0.051 0.000 1.204 97 W CB 0.486 29.904 29.460 -0.070 0.000 1.213 97 W HN 0.299 nan 8.180 nan 0.000 0.539 98 L N 5.145 126.502 121.223 0.224 0.000 2.260 98 L HA 0.458 4.799 4.340 0.001 0.000 0.289 98 L C -0.732 176.229 176.870 0.152 0.000 1.057 98 L CA -0.330 54.592 54.840 0.137 0.000 0.811 98 L CB -0.132 41.978 42.059 0.084 0.000 1.184 98 L HN 0.299 nan 8.230 nan 0.000 0.429 99 L N 5.171 126.460 121.223 0.111 0.000 2.322 99 L HA 0.510 4.851 4.340 0.001 0.000 0.279 99 L C 0.116 177.022 176.870 0.061 0.000 1.036 99 L CA -0.860 54.034 54.840 0.090 0.000 0.807 99 L CB 1.277 43.380 42.059 0.074 0.000 1.226 99 L HN 0.524 nan 8.230 nan 0.000 0.433 100 K N 2.425 122.857 120.400 0.054 0.000 2.174 100 K HA 0.195 4.516 4.320 0.001 0.000 0.275 100 K C -0.172 176.446 176.600 0.030 0.000 1.015 100 K CA -0.738 55.577 56.287 0.046 0.000 0.933 100 K CB 1.088 33.616 32.500 0.048 0.000 1.025 100 K HN 0.503 nan 8.250 nan 0.000 0.463 101 E N 2.314 122.549 120.200 0.059 0.000 2.383 101 E HA -0.005 4.346 4.350 0.001 0.000 0.264 101 E C 0.441 177.050 176.600 0.015 0.000 1.050 101 E CA -0.184 56.239 56.400 0.039 0.000 0.896 101 E CB 0.902 30.677 29.700 0.125 0.000 0.982 101 E HN 0.263 nan 8.360 nan 0.000 0.424 102 V N 0.490 120.249 119.914 -0.257 0.000 2.649 102 V HA -0.002 4.118 4.120 0.001 0.000 0.248 102 V C 0.235 176.161 176.094 -0.280 0.000 1.054 102 V CA 1.621 63.682 62.300 -0.399 0.000 1.073 102 V CB -1.127 30.095 31.823 -1.001 0.000 0.699 102 V HN 0.761 nan 8.190 nan 0.000 0.463 103 W N -0.498 120.781 121.300 -0.035 0.000 3.059 103 W HA 0.529 5.189 4.660 0.001 0.000 0.329 103 W C -0.324 176.062 176.519 -0.221 0.000 1.246 103 W CA -0.796 56.253 57.345 -0.493 0.000 1.190 103 W CB -0.145 29.201 29.460 -0.190 0.000 1.423 103 W HN -0.044 nan 8.180 nan 0.000 0.571 104 N N -0.885 117.832 118.700 0.029 0.000 2.159 104 N HA 0.017 4.758 4.740 0.001 0.000 0.217 104 N C 0.754 176.328 175.510 0.106 0.000 1.223 104 N CA 0.006 53.165 53.050 0.183 0.000 0.896 104 N CB 0.108 38.733 38.487 0.229 0.000 1.064 104 N HN 0.468 nan 8.380 nan 0.000 0.518 105 Q N -0.171 119.650 119.800 0.035 0.000 2.402 105 Q HA 0.197 4.537 4.340 0.001 0.000 0.206 105 Q C -0.141 175.772 176.000 -0.146 0.000 0.919 105 Q CA 0.643 56.419 55.803 -0.045 0.000 0.923 105 Q CB 0.480 29.235 28.738 0.027 0.000 1.048 105 Q HN 0.489 nan 8.270 nan 0.000 0.515 106 Q N -0.002 119.651 119.800 -0.245 0.000 2.297 106 Q HA 0.228 4.569 4.340 0.001 0.000 0.269 106 Q C -0.277 175.618 176.000 -0.175 0.000 1.051 106 Q CA -0.323 55.249 55.803 -0.385 0.000 0.869 106 Q CB 0.941 29.194 28.738 -0.809 0.000 1.346 106 Q HN -0.062 nan 8.270 nan 0.000 0.457 107 D N -0.203 120.027 120.400 -0.283 0.000 2.388 107 D HA 0.097 4.738 4.640 0.001 0.000 0.221 107 D C -0.483 175.709 176.300 -0.180 0.000 1.133 107 D CA 0.131 53.993 54.000 -0.230 0.000 0.831 107 D CB 0.427 40.949 40.800 -0.463 0.000 0.962 107 D HN 0.310 nan 8.370 nan 0.000 0.502 108 W N 1.518 122.982 121.300 0.272 0.000 2.315 108 W HA 0.438 5.098 4.660 0.001 0.000 0.316 108 W C 1.362 178.096 176.519 0.360 0.000 1.211 108 W CA -0.402 57.058 57.345 0.192 0.000 1.201 108 W CB 0.539 30.073 29.460 0.123 0.000 1.184 108 W HN 0.070 nan 8.180 nan 0.000 0.544 109 G N 2.149 111.152 108.800 0.337 0.000 2.574 109 G HA2 -0.252 3.709 3.960 0.001 0.000 0.282 109 G HA3 -0.252 3.709 3.960 0.001 0.000 0.282 109 G C -0.424 174.802 174.900 0.543 0.000 1.257 109 G CA -0.158 45.242 45.100 0.501 0.000 0.956 109 G HN 0.472 nan 8.290 nan 0.000 0.560 110 S N 2.672 118.660 115.700 0.481 0.000 2.462 110 S HA 0.606 5.076 4.470 0.001 0.000 0.294 110 S C -1.198 173.559 174.600 0.263 0.000 1.144 110 S CA -0.317 58.101 58.200 0.363 0.000 1.088 110 S CB 2.365 65.690 63.200 0.208 0.000 1.009 110 S HN 0.692 nan 8.310 nan 0.000 0.484 111 P HA 0.256 nan 4.420 nan 0.000 0.255 111 P C -0.372 176.991 177.300 0.106 0.000 1.248 111 P CA 0.514 63.725 63.100 0.185 0.000 0.807 111 P CB 0.232 32.013 31.700 0.135 0.000 1.150 115 E N 0.581 120.807 120.200 0.044 0.000 2.210 115 E HA 0.604 4.954 4.350 0.001 0.000 0.266 115 E C -0.822 175.794 176.600 0.027 0.000 0.883 115 E CA -0.990 55.437 56.400 0.044 0.000 0.761 115 E CB 2.346 32.061 29.700 0.025 0.000 1.156 115 E HN 0.406 nan 8.360 nan 0.000 0.412 116 V N 0.100 120.030 119.914 0.027 0.000 2.962 116 V HA 0.529 4.650 4.120 0.001 0.000 0.313 116 V C -0.935 175.172 176.094 0.022 0.000 1.099 116 V CA -0.901 61.372 62.300 -0.045 0.000 0.971 116 V CB 1.958 33.651 31.823 -0.218 0.000 1.028 116 V HN 0.722 nan 8.190 nan 0.000 0.430 117 Q N 1.721 121.514 119.800 -0.012 0.000 2.327 117 Q HA 0.546 4.886 4.340 0.001 0.000 0.270 117 Q C -0.355 175.654 176.000 0.015 0.000 1.022 117 Q CA -0.604 55.227 55.803 0.046 0.000 0.773 117 Q CB 2.213 30.970 28.738 0.031 0.000 1.251 117 Q HN 0.796 nan 8.270 nan 0.000 0.457 118 V N 2.332 122.262 119.914 0.027 0.000 2.407 118 V HA -0.058 4.063 4.120 0.001 0.000 0.245 118 V C 0.630 176.802 176.094 0.129 0.000 1.041 118 V CA 1.215 63.509 62.300 -0.010 0.000 1.040 118 V CB 0.019 31.788 31.823 -0.089 0.000 0.671 118 V HN 0.676 nan 8.190 nan 0.000 0.455 119 Q N 0.059 119.935 119.800 0.126 0.000 2.342 119 Q HA 0.337 4.677 4.340 0.001 0.000 0.267 119 Q C -2.067 174.005 176.000 0.120 0.000 1.038 119 Q CA -1.966 53.919 55.803 0.136 0.000 0.832 119 Q CB 1.807 30.612 28.738 0.113 0.000 1.323 119 Q HN 0.155 nan 8.270 nan 0.000 0.448 120 P HA -0.001 nan 4.420 nan 0.000 0.245 120 P C 0.414 177.852 177.300 0.231 0.000 1.212 120 P CA 0.292 63.485 63.100 0.154 0.000 0.774 120 P CB 0.578 32.355 31.700 0.128 0.000 0.999 121 N N 0.541 119.415 118.700 0.290 0.000 2.091 121 N HA -0.172 4.569 4.740 0.001 0.000 0.193 121 N C 1.666 177.485 175.510 0.514 0.000 1.021 121 N CA 0.917 54.267 53.050 0.501 0.000 0.862 121 N CB -0.934 37.862 38.487 0.515 0.000 1.018 121 N HN 0.174 nan 8.380 nan 0.000 0.429 122 L N 1.450 122.918 121.223 0.408 0.000 2.017 122 L HA -0.059 4.282 4.340 0.001 0.000 0.208 122 L C 1.491 178.434 176.870 0.122 0.000 1.073 122 L CA 1.748 56.748 54.840 0.267 0.000 0.745 122 L CB -0.923 41.280 42.059 0.240 0.000 0.894 122 L HN 0.047 nan 8.230 nan 0.000 0.432 123 N N -0.467 118.313 118.700 0.133 0.000 2.223 123 N HA -0.137 4.604 4.740 0.001 0.000 0.185 123 N C 1.875 177.440 175.510 0.092 0.000 1.016 123 N CA 1.487 54.587 53.050 0.083 0.000 0.863 123 N CB -0.389 38.147 38.487 0.081 0.000 0.983 123 N HN 0.363 nan 8.380 nan 0.000 0.429 124 L N -0.771 120.561 121.223 0.180 0.000 1.994 124 L HA -0.141 4.200 4.340 0.001 0.000 0.208 124 L C 2.078 179.038 176.870 0.150 0.000 1.071 124 L CA 1.049 56.029 54.840 0.232 0.000 0.745 124 L CB -0.456 41.853 42.059 0.417 0.000 0.892 124 L HN 0.076 nan 8.230 nan 0.000 0.431 125 F N 0.579 120.440 119.950 -0.149 0.000 2.126 125 F HA -0.242 4.286 4.527 0.001 0.000 0.299 125 F C 2.203 177.812 175.800 -0.317 0.000 1.096 125 F CA 1.559 59.256 58.000 -0.506 0.000 1.255 125 F CB -0.181 38.218 39.000 -1.001 0.000 0.997 125 F HN -0.112 nan 8.300 nan 0.000 0.479 126 L N -0.142 120.956 121.223 -0.207 0.000 2.083 126 L HA -0.224 4.117 4.340 0.001 0.000 0.209 126 L C 2.714 179.461 176.870 -0.205 0.000 1.083 126 L CA 1.433 56.136 54.840 -0.228 0.000 0.752 126 L CB -1.084 40.905 42.059 -0.116 0.000 0.899 126 L HN 0.298 nan 8.230 nan 0.000 0.433 127 S N -0.192 115.437 115.700 -0.118 0.000 2.382 127 S HA -0.195 4.276 4.470 0.001 0.000 0.228 127 S C 1.905 176.442 174.600 -0.105 0.000 1.027 127 S CA 0.911 59.065 58.200 -0.076 0.000 0.991 127 S CB -0.284 62.912 63.200 -0.007 0.000 0.823 127 S HN 0.397 nan 8.310 nan 0.000 0.469 128 K N 0.374 120.682 120.400 -0.153 0.000 2.097 128 K HA 0.053 4.374 4.320 0.001 0.000 0.205 128 K C 2.371 178.833 176.600 -0.231 0.000 1.050 128 K CA 1.225 57.423 56.287 -0.149 0.000 0.938 128 K CB -0.546 31.889 32.500 -0.107 0.000 0.718 128 K HN 0.434 nan 8.250 nan 0.000 0.442 129 C N 1.308 120.378 119.300 -0.383 0.000 2.432 129 C HA -0.097 4.364 4.460 0.001 0.000 0.277 129 C C 2.611 177.483 174.990 -0.196 0.000 1.249 129 C CA 0.659 59.475 59.018 -0.336 0.000 1.725 129 C CB -0.510 26.975 27.740 -0.425 0.000 2.028 129 C HN 0.497 nan 8.230 nan 0.000 0.477 130 K N 1.329 121.631 120.400 -0.164 0.000 2.063 130 K HA -0.194 4.127 4.320 0.001 0.000 0.208 130 K C 2.256 178.809 176.600 -0.079 0.000 1.048 130 K CA 1.965 58.188 56.287 -0.107 0.000 0.928 130 K CB -0.265 32.184 32.500 -0.086 0.000 0.713 130 K HN 0.439 nan 8.250 nan 0.000 0.442 131 E N 0.770 120.927 120.200 -0.072 0.000 2.209 131 E HA -0.155 4.196 4.350 0.001 0.000 0.196 131 E C 1.292 177.867 176.600 -0.043 0.000 0.993 131 E CA 1.359 57.732 56.400 -0.045 0.000 0.819 131 E CB -0.147 29.534 29.700 -0.031 0.000 0.745 131 E HN 0.502 nan 8.360 nan 0.000 0.477 132 R N -0.274 120.190 120.500 -0.059 0.000 2.507 132 R HA 0.173 4.514 4.340 0.001 0.000 0.298 132 R C 0.394 176.661 176.300 -0.055 0.000 0.999 132 R CA 0.551 56.622 56.100 -0.048 0.000 1.082 132 R CB 0.165 30.437 30.300 -0.047 0.000 1.246 132 R HN 0.234 nan 8.270 nan 0.000 0.553 133 D N 1.215 121.578 120.400 -0.062 0.000 2.708 133 D HA -0.203 4.437 4.640 0.001 0.000 0.236 133 D C -0.926 175.330 176.300 -0.073 0.000 1.146 133 D CA 0.707 54.670 54.000 -0.062 0.000 0.662 133 D CB -0.945 39.827 40.800 -0.046 0.000 1.059 133 D HN 0.321 nan 8.370 nan 0.000 0.428 134 I N 0.366 120.876 120.570 -0.100 0.000 2.336 134 I HA 0.270 4.441 4.170 0.001 0.000 0.292 134 I C 0.823 176.860 176.117 -0.134 0.000 0.991 134 I CA -0.858 60.372 61.300 -0.117 0.000 1.227 134 I CB 1.314 39.219 38.000 -0.158 0.000 1.366 134 I HN -0.160 nan 8.210 nan 0.000 0.466 135 K N 4.341 124.672 120.400 -0.115 0.000 2.098 135 K HA 0.638 4.959 4.320 0.001 0.000 0.258 135 K C -1.113 175.395 176.600 -0.154 0.000 0.973 135 K CA -0.385 55.828 56.287 -0.122 0.000 0.898 135 K CB 1.692 34.138 32.500 -0.090 0.000 1.057 135 K HN 0.270 nan 8.250 nan 0.000 0.447 136 V N 1.775 121.578 119.914 -0.186 0.000 2.483 136 V HA 0.520 4.641 4.120 0.001 0.000 0.297 136 V C 0.123 176.010 176.094 -0.345 0.000 1.027 136 V CA -1.162 61.001 62.300 -0.228 0.000 0.855 136 V CB 1.776 33.478 31.823 -0.201 0.000 0.995 136 V HN 0.825 nan 8.190 nan 0.000 0.424 137 G N 4.697 113.204 108.800 -0.487 0.000 2.338 137 G HA2 0.635 4.595 3.960 0.001 0.000 0.298 137 G HA3 0.635 4.595 3.960 0.001 0.000 0.298 137 G C -0.707 173.834 174.900 -0.597 0.000 1.140 137 G CA -0.467 44.017 45.100 -1.027 0.000 0.860 137 G HN 0.593 nan 8.290 nan 0.000 0.470 138 L N 1.718 122.647 121.223 -0.489 0.000 2.322 138 L HA 0.678 5.019 4.340 0.001 0.000 0.279 138 L C 0.543 177.387 176.870 -0.043 0.000 1.036 138 L CA -0.481 54.288 54.840 -0.118 0.000 0.807 138 L CB 1.781 43.889 42.059 0.082 0.000 1.226 138 L HN 0.597 nan 8.230 nan 0.000 0.433 139 S N 0.885 116.661 115.700 0.127 0.000 2.819 139 S HA 0.744 5.214 4.470 0.001 0.000 0.299 139 S C -1.407 173.311 174.600 0.196 0.000 1.192 139 S CA -0.438 57.802 58.200 0.066 0.000 0.847 139 S CB 2.132 65.238 63.200 -0.155 0.000 1.224 139 S HN 0.574 nan 8.310 nan 0.000 0.537 140 S N -0.332 115.333 115.700 -0.058 0.000 2.535 140 S HA 0.515 4.986 4.470 0.001 0.000 0.272 140 S C -1.288 173.159 174.600 -0.255 0.000 1.149 140 S CA -0.508 57.601 58.200 -0.152 0.000 0.888 140 S CB 0.767 63.576 63.200 -0.652 0.000 1.110 140 S HN 0.783 nan 8.310 nan 0.000 0.463 141 W N 2.364 123.560 121.300 -0.172 0.000 3.220 141 W HA 0.188 4.848 4.660 0.001 0.000 0.328 141 W C -0.408 176.242 176.519 0.219 0.000 1.205 141 W CA -0.430 56.927 57.345 0.020 0.000 1.773 141 W CB -0.121 29.279 29.460 -0.100 0.000 1.086 141 W HN 0.943 nan 8.180 nan 0.000 0.622 142 Y N 1.131 121.538 120.300 0.177 0.000 2.988 142 Y HA -0.267 4.283 4.550 0.001 0.000 0.193 142 Y C 0.876 176.767 175.900 -0.015 0.000 1.388 142 Y CA 0.125 58.127 58.100 -0.164 0.000 0.904 142 Y CB -1.972 36.497 38.460 0.014 0.000 1.297 142 Y HN -0.181 nan 8.280 nan 0.000 0.432 143 R N 1.152 121.730 120.500 0.130 0.000 2.537 143 R HA 0.126 4.466 4.340 0.001 0.000 0.281 143 R C 0.216 176.637 176.300 0.202 0.000 0.988 143 R CA -0.142 56.003 56.100 0.075 0.000 1.077 143 R CB 0.280 30.561 30.300 -0.032 0.000 0.932 143 R HN 0.450 nan 8.270 nan 0.000 0.409 144 L N 5.066 126.356 121.223 0.113 0.000 2.315 144 L HA 0.057 4.398 4.340 0.001 0.000 0.283 144 L C 1.142 178.079 176.870 0.112 0.000 1.089 144 L CA -0.234 54.680 54.840 0.124 0.000 0.833 144 L CB 0.367 42.477 42.059 0.086 0.000 1.170 144 L HN 0.609 nan 8.230 nan 0.000 0.442 145 D N 2.944 123.423 120.400 0.132 0.000 2.387 145 D HA 0.058 4.699 4.640 0.001 0.000 0.251 145 D C 1.269 177.663 176.300 0.157 0.000 1.141 145 D CA -0.551 53.544 54.000 0.158 0.000 0.987 145 D CB 1.704 42.637 40.800 0.222 0.000 1.116 145 D HN 0.291 nan 8.370 nan 0.000 0.491 146 V N -2.027 117.985 119.914 0.162 0.000 2.594 146 V HA -0.185 3.935 4.120 0.001 0.000 0.253 146 V C 0.910 177.078 176.094 0.124 0.000 1.069 146 V CA 1.583 63.954 62.300 0.119 0.000 1.082 146 V CB -0.620 31.260 31.823 0.095 0.000 0.680 146 V HN 0.429 nan 8.190 nan 0.000 0.469 147 D N -0.038 120.464 120.400 0.171 0.000 2.349 147 D HA 0.111 4.751 4.640 0.001 0.000 0.214 147 D C 0.543 176.935 176.300 0.154 0.000 1.063 147 D CA 0.273 54.369 54.000 0.159 0.000 0.847 147 D CB -0.092 40.826 40.800 0.196 0.000 0.933 147 D HN 0.704 nan 8.370 nan 0.000 0.513 148 E N 0.328 120.619 120.200 0.152 0.000 2.183 148 E HA -0.183 4.167 4.350 0.001 0.000 0.196 148 E C 1.495 178.189 176.600 0.157 0.000 1.364 148 E CA 0.067 56.553 56.400 0.144 0.000 0.700 148 E CB -1.308 28.460 29.700 0.113 0.000 1.106 148 E HN 0.254 nan 8.360 nan 0.000 0.347 149 V N -2.023 117.995 119.914 0.173 0.000 2.759 149 V HA -0.277 3.844 4.120 0.001 0.000 0.256 149 V C 2.396 178.592 176.094 0.170 0.000 1.080 149 V CA 1.745 64.144 62.300 0.164 0.000 1.101 149 V CB -0.865 31.042 31.823 0.140 0.000 0.698 149 V HN 0.760 nan 8.190 nan 0.000 0.477 150 C N -0.286 119.145 119.300 0.218 0.000 2.432 150 C HA 0.097 4.558 4.460 0.001 0.000 0.282 150 C C 2.384 177.458 174.990 0.141 0.000 1.388 150 C CA 0.378 59.481 59.018 0.143 0.000 1.777 150 C CB -1.944 25.866 27.740 0.116 0.000 1.882 150 C HN 0.566 nan 8.230 nan 0.000 0.520 151 L N 0.797 122.130 121.223 0.184 0.000 2.353 151 L HA -0.082 4.258 4.340 0.001 0.000 0.220 151 L C 2.704 179.670 176.870 0.160 0.000 1.133 151 L CA 1.312 56.273 54.840 0.201 0.000 0.798 151 L CB -0.591 41.554 42.059 0.145 0.000 0.922 151 L HN 0.430 nan 8.230 nan 0.000 0.445 152 K N 0.461 120.926 120.400 0.109 0.000 2.288 152 K HA 0.002 4.323 4.320 0.001 0.000 0.201 152 K C 0.880 177.520 176.600 0.067 0.000 1.048 152 K CA 0.590 56.928 56.287 0.086 0.000 0.956 152 K CB -0.003 32.542 32.500 0.075 0.000 0.746 152 K HN 0.315 nan 8.250 nan 0.000 0.461 153 L N 3.069 124.289 121.223 -0.005 0.000 2.533 153 L HA 0.014 4.354 4.340 0.001 0.000 0.239 153 L C 0.145 177.110 176.870 0.158 0.000 1.376 153 L CA -0.309 54.482 54.840 -0.082 0.000 1.240 153 L CB -0.473 41.313 42.059 -0.455 0.000 1.487 153 L HN 0.166 nan 8.230 nan 0.000 0.419 154 D N -1.688 118.866 120.400 0.256 0.000 2.328 154 D HA 0.002 4.643 4.640 0.001 0.000 0.221 154 D C 0.699 177.280 176.300 0.469 0.000 1.072 154 D CA -0.036 54.226 54.000 0.438 0.000 0.850 154 D CB 0.174 41.132 40.800 0.263 0.000 0.922 154 D HN 0.327 nan 8.370 nan 0.000 0.516 155 T N -4.443 110.233 114.554 0.204 0.000 2.903 155 T HA 0.426 4.777 4.350 0.001 0.000 0.299 155 T C -2.326 171.948 174.700 -0.709 0.000 1.093 155 T CA -1.746 60.245 62.100 -0.181 0.000 1.002 155 T CB 2.804 71.612 68.868 -0.098 0.000 1.127 155 T HN -0.367 nan 8.240 nan 0.000 0.488 156 P HA -0.042 nan 4.420 nan 0.000 0.220 156 P C 0.869 177.889 177.300 -0.466 0.000 1.148 156 P CA 1.104 63.481 63.100 -1.204 0.000 0.803 156 P CB 0.226 31.212 31.700 -1.190 0.000 0.782 157 E N 0.514 120.520 120.200 -0.323 0.000 2.106 157 E HA -0.122 4.229 4.350 0.001 0.000 0.192 157 E C 2.064 178.605 176.600 -0.098 0.000 0.984 157 E CA 1.202 57.501 56.400 -0.168 0.000 0.806 157 E CB -0.509 29.117 29.700 -0.123 0.000 0.750 157 E HN 0.307 nan 8.360 nan 0.000 0.458 158 K N 0.123 120.469 120.400 -0.091 0.000 2.057 158 K HA -0.107 4.214 4.320 0.001 0.000 0.206 158 K C 2.051 178.652 176.600 0.001 0.000 1.050 158 K CA 0.809 57.078 56.287 -0.029 0.000 0.935 158 K CB -0.171 32.324 32.500 -0.009 0.000 0.715 158 K HN 0.038 nan 8.250 nan 0.000 0.439 159 L N 1.099 122.324 121.223 0.005 0.000 2.046 159 L HA -0.118 4.223 4.340 0.001 0.000 0.208 159 L C 2.175 179.171 176.870 0.210 0.000 1.077 159 L CA 1.729 56.640 54.840 0.118 0.000 0.747 159 L CB -0.611 41.595 42.059 0.245 0.000 0.896 159 L HN 0.119 nan 8.230 nan 0.000 0.432 160 A N -1.034 121.839 122.820 0.088 0.000 1.898 160 A HA -0.190 4.131 4.320 0.001 0.000 0.216 160 A C 1.994 179.651 177.584 0.120 0.000 1.181 160 A CA 1.679 53.767 52.037 0.085 0.000 0.620 160 A CB -0.784 18.187 19.000 -0.048 0.000 0.819 160 A HN 0.484 nan 8.150 nan 0.000 0.442 161 D N -0.661 119.778 120.400 0.065 0.000 2.149 161 D HA -0.153 4.487 4.640 0.001 0.000 0.198 161 D C 1.988 178.341 176.300 0.088 0.000 0.990 161 D CA 1.343 55.382 54.000 0.064 0.000 0.839 161 D CB -0.681 40.138 40.800 0.032 0.000 0.948 161 D HN 0.499 nan 8.370 nan 0.000 0.460 162 C N -0.589 118.762 119.300 0.086 0.000 2.453 162 C HA -0.126 4.334 4.460 0.001 0.000 0.277 162 C C 2.595 177.589 174.990 0.008 0.000 1.262 162 C CA 0.390 59.426 59.018 0.030 0.000 1.718 162 C CB -1.590 26.151 27.740 0.002 0.000 2.031 162 C HN 0.439 nan 8.230 nan 0.000 0.480 163 W N 0.874 122.215 121.300 0.068 0.000 2.388 163 W HA 0.099 4.759 4.660 0.001 0.000 0.294 163 W C 2.439 179.016 176.519 0.097 0.000 1.212 163 W CA 0.803 58.192 57.345 0.073 0.000 1.271 163 W CB -0.461 29.029 29.460 0.049 0.000 1.126 163 W HN 0.242 nan 8.180 nan 0.000 0.535 164 L N -0.539 120.873 121.223 0.315 0.000 2.079 164 L HA -0.244 4.096 4.340 0.001 0.000 0.210 164 L C 2.326 179.331 176.870 0.225 0.000 1.081 164 L CA 1.527 56.543 54.840 0.294 0.000 0.752 164 L CB -1.205 40.973 42.059 0.198 0.000 0.896 164 L HN -0.056 nan 8.230 nan 0.000 0.433 165 T N -0.092 114.548 114.554 0.143 0.000 2.737 165 T HA -0.161 4.190 4.350 0.001 0.000 0.265 165 T C 1.945 176.697 174.700 0.087 0.000 1.038 165 T CA 1.018 63.177 62.100 0.098 0.000 1.144 165 T CB -0.087 68.816 68.868 0.059 0.000 0.866 165 T HN 0.137 nan 8.240 nan 0.000 0.434 166 I N 1.271 121.874 120.570 0.054 0.000 2.226 166 I HA -0.062 4.108 4.170 0.001 0.000 0.245 166 I C 2.078 178.244 176.117 0.082 0.000 1.100 166 I CA 1.333 62.647 61.300 0.024 0.000 1.374 166 I CB -0.755 37.174 38.000 -0.119 0.000 1.057 166 I HN 0.278 nan 8.210 nan 0.000 0.413 167 L N -0.104 121.202 121.223 0.138 0.000 2.083 167 L HA -0.240 4.100 4.340 0.001 0.000 0.209 167 L C 2.898 179.838 176.870 0.116 0.000 1.083 167 L CA 1.163 56.048 54.840 0.076 0.000 0.752 167 L CB -0.872 41.153 42.059 -0.057 0.000 0.899 167 L HN 0.105 nan 8.230 nan 0.000 0.433 168 R N 0.093 120.704 120.500 0.185 0.000 2.092 168 R HA -0.130 4.210 4.340 0.001 0.000 0.231 168 R C 2.691 179.054 176.300 0.105 0.000 1.119 168 R CA 1.474 57.673 56.100 0.166 0.000 0.970 168 R CB -0.922 29.470 30.300 0.152 0.000 0.864 168 R HN 0.744 nan 8.270 nan 0.000 0.440 169 S N -0.031 115.720 115.700 0.086 0.000 2.399 169 S HA -0.074 4.397 4.470 0.001 0.000 0.231 169 S C 2.067 176.703 174.600 0.060 0.000 1.022 169 S CA 1.750 59.992 58.200 0.069 0.000 0.983 169 S CB -0.405 62.833 63.200 0.064 0.000 0.803 169 S HN 0.581 nan 8.310 nan 0.000 0.480 170 I N 1.366 121.968 120.570 0.052 0.000 2.333 170 I HA -0.033 4.138 4.170 0.001 0.000 0.246 170 I C 2.909 179.045 176.117 0.032 0.000 1.106 170 I CA 1.380 62.699 61.300 0.031 0.000 1.411 170 I CB -0.332 37.672 38.000 0.007 0.000 1.082 170 I HN 0.375 nan 8.210 nan 0.000 0.420 171 E N 0.674 120.905 120.200 0.051 0.000 2.268 171 E HA -0.233 4.118 4.350 0.001 0.000 0.195 171 E C 2.116 178.751 176.600 0.058 0.000 0.995 171 E CA 0.964 57.402 56.400 0.063 0.000 0.836 171 E CB 0.166 29.936 29.700 0.117 0.000 0.763 171 E HN 0.284 nan 8.360 nan 0.000 0.491 172 E N 0.605 120.840 120.200 0.058 0.000 2.118 172 E HA -0.182 4.169 4.350 0.001 0.000 0.195 172 E C 0.765 177.390 176.600 0.042 0.000 0.992 172 E CA 1.594 58.025 56.400 0.051 0.000 0.804 172 E CB -0.217 29.515 29.700 0.053 0.000 0.741 172 E HN 0.347 nan 8.360 nan 0.000 0.458 173 D N -1.312 119.111 120.400 0.038 0.000 2.358 173 D HA 0.235 4.876 4.640 0.001 0.000 0.224 173 D C 0.921 177.234 176.300 0.022 0.000 1.123 173 D CA 0.708 54.727 54.000 0.031 0.000 0.833 173 D CB 0.161 40.982 40.800 0.035 0.000 0.946 173 D HN 0.466 nan 8.370 nan 0.000 0.505 174 G N 1.251 110.064 108.800 0.023 0.000 2.273 174 G HA2 -0.288 3.673 3.960 0.001 0.000 0.280 174 G HA3 -0.288 3.673 3.960 0.001 0.000 0.280 174 G C 0.674 175.574 174.900 0.000 0.000 1.047 174 G CA 0.098 45.207 45.100 0.015 0.000 0.869 174 G HN 0.440 nan 8.290 nan 0.000 0.502 175 L N -1.115 120.105 121.223 -0.005 0.000 2.857 175 L HA 0.334 4.674 4.340 0.001 0.000 0.249 175 L C 2.270 179.115 176.870 -0.043 0.000 1.172 175 L CA -0.464 54.359 54.840 -0.028 0.000 0.980 175 L CB 0.231 42.271 42.059 -0.031 0.000 1.299 175 L HN 0.262 nan 8.230 nan 0.000 0.535 176 L N 0.242 121.446 121.223 -0.032 0.000 2.141 176 L HA -0.137 4.204 4.340 0.001 0.000 0.209 176 L C 1.842 178.668 176.870 -0.073 0.000 1.094 176 L CA 1.758 56.563 54.840 -0.059 0.000 0.763 176 L CB -0.380 41.656 42.059 -0.038 0.000 0.908 176 L HN 0.247 nan 8.230 nan 0.000 0.437 177 D N -1.502 118.866 120.400 -0.053 0.000 2.350 177 D HA -0.116 4.524 4.640 0.001 0.000 0.216 177 D C 1.757 178.011 176.300 -0.076 0.000 0.968 177 D CA 1.121 55.086 54.000 -0.058 0.000 0.894 177 D CB 0.102 40.878 40.800 -0.040 0.000 0.909 177 D HN 0.343 nan 8.370 nan 0.000 0.520 178 T N 0.591 115.093 114.554 -0.086 0.000 3.067 178 T HA 0.024 4.375 4.350 0.001 0.000 0.261 178 T C 0.985 175.607 174.700 -0.132 0.000 1.110 178 T CA -0.020 62.016 62.100 -0.106 0.000 1.113 178 T CB 0.472 69.272 68.868 -0.113 0.000 0.917 178 T HN 0.010 nan 8.240 nan 0.000 0.499 179 I N 2.303 122.789 120.570 -0.139 0.000 2.416 179 I HA 0.175 4.345 4.170 0.001 0.000 0.288 179 I C 0.981 176.989 176.117 -0.181 0.000 1.051 179 I CA -0.525 60.668 61.300 -0.179 0.000 1.375 179 I CB 1.028 38.918 38.000 -0.183 0.000 1.407 179 I HN 0.069 nan 8.210 nan 0.000 0.516 180 L N 8.715 129.810 121.223 -0.214 0.000 2.168 180 L HA 0.118 4.459 4.340 0.001 0.000 0.203 180 L C -0.146 176.679 176.870 -0.075 0.000 1.078 180 L CA 1.261 56.022 54.840 -0.132 0.000 0.780 180 L CB -0.041 41.959 42.059 -0.099 0.000 0.939 180 L HN 0.678 nan 8.230 nan 0.000 0.451 181 Y N -4.196 115.982 120.300 -0.204 0.000 2.713 181 Y HA 0.646 5.197 4.550 0.001 0.000 0.335 181 Y C -1.461 174.270 175.900 -0.281 0.000 1.222 181 Y CA -1.905 56.031 58.100 -0.273 0.000 1.061 181 Y CB 0.635 38.959 38.460 -0.228 0.000 1.314 181 Y HN -0.390 nan 8.280 nan 0.000 0.453 182 V N 2.253 122.088 119.914 -0.131 0.000 2.483 182 V HA 0.382 4.502 4.120 0.001 0.000 0.297 182 V C -1.389 174.612 176.094 -0.155 0.000 1.027 182 V CA -0.449 61.720 62.300 -0.218 0.000 0.855 182 V CB 1.464 33.146 31.823 -0.235 0.000 0.995 182 V HN 0.805 nan 8.190 nan 0.000 0.424 183 D N 3.920 124.176 120.400 -0.241 0.000 2.303 183 D HA 0.401 5.042 4.640 0.001 0.000 0.236 183 D C 0.445 176.364 176.300 -0.635 0.000 1.068 183 D CA -0.475 53.333 54.000 -0.321 0.000 0.830 183 D CB 1.994 42.734 40.800 -0.099 0.000 1.109 183 D HN 0.228 nan 8.370 nan 0.000 0.496 184 L N 2.328 123.005 121.223 -0.910 0.000 2.376 184 L HA 0.180 4.520 4.340 0.001 0.000 0.219 184 L C 0.549 177.276 176.870 -0.237 0.000 1.133 184 L CA 0.550 54.818 54.840 -0.952 0.000 0.816 184 L CB -0.153 41.077 42.059 -1.383 0.000 0.933 184 L HN 0.578 nan 8.230 nan 0.000 0.449 185 C N -0.581 118.591 119.300 -0.213 0.000 3.135 185 C HA 0.256 4.717 4.460 0.001 0.000 0.428 185 C C -0.229 174.767 174.990 0.009 0.000 0.972 185 C CA -1.752 57.400 59.018 0.224 0.000 1.218 185 C CB -0.125 27.994 27.740 0.630 0.000 1.595 185 C HN 0.412 nan 8.230 nan 0.000 0.576 186 N N 3.481 122.008 118.700 -0.289 0.000 2.359 186 N HA 0.113 4.853 4.740 0.001 0.000 0.261 186 N C 0.440 175.806 175.510 -0.240 0.000 1.267 186 N CA 1.468 54.179 53.050 -0.566 0.000 0.864 186 N CB 0.309 37.878 38.487 -1.530 0.000 1.063 186 N HN 0.787 nan 8.380 nan 0.000 0.474 187 E N 0.865 120.981 120.200 -0.139 0.000 2.269 187 E HA -0.291 4.059 4.350 0.001 0.000 0.223 187 E C -0.859 175.804 176.600 0.105 0.000 1.244 187 E CA 0.183 56.603 56.400 0.033 0.000 0.713 187 E CB -1.046 28.775 29.700 0.201 0.000 1.178 187 E HN 0.550 nan 8.360 nan 0.000 0.370 188 W N 2.196 123.515 121.300 0.031 0.000 2.257 188 W HA 0.060 4.721 4.660 0.001 0.000 0.337 188 W C -2.176 174.305 176.519 -0.064 0.000 1.321 188 W CA -1.062 56.292 57.345 0.015 0.000 1.267 188 W CB 0.645 30.234 29.460 0.215 0.000 1.187 188 W HN 0.064 nan 8.180 nan 0.000 0.565 189 P HA 0.140 nan 4.420 nan 0.000 0.253 189 P C 0.298 177.006 177.300 -0.988 0.000 1.863 189 P CA -0.153 62.041 63.100 -1.512 0.000 1.145 189 P CB 0.137 30.574 31.700 -2.105 0.000 1.666 190 G N 2.011 110.220 108.800 -0.984 0.000 2.265 190 G HA2 -0.064 3.896 3.960 0.001 0.000 0.240 190 G HA3 -0.064 3.896 3.960 0.001 0.000 0.240 190 G C 0.869 175.232 174.900 -0.895 0.000 1.270 190 G CA -0.077 44.091 45.100 -1.553 0.000 0.901 190 G HN 0.202 nan 8.290 nan 0.000 0.507 191 D N 1.287 121.392 120.400 -0.491 0.000 2.309 191 D HA -0.131 4.509 4.640 0.001 0.000 0.212 191 D C 2.058 178.182 176.300 -0.294 0.000 0.968 191 D CA 1.219 55.043 54.000 -0.293 0.000 0.882 191 D CB -0.161 40.565 40.800 -0.123 0.000 0.918 191 D HN 0.273 nan 8.370 nan 0.000 0.503 192 S N -0.344 115.138 115.700 -0.362 0.000 2.399 192 S HA -0.077 4.394 4.470 0.001 0.000 0.231 192 S C 1.247 175.436 174.600 -0.684 0.000 1.022 192 S CA 1.179 58.986 58.200 -0.654 0.000 0.983 192 S CB -0.414 62.079 63.200 -1.178 0.000 0.803 192 S HN 0.610 nan 8.310 nan 0.000 0.480 193 W N 0.523 121.820 121.300 -0.005 0.000 2.792 193 W HA 0.546 5.207 4.660 0.001 0.000 0.262 193 W C 1.014 177.469 176.519 -0.108 0.000 1.212 193 W CA 0.037 57.416 57.345 0.057 0.000 1.433 193 W CB 0.261 29.768 29.460 0.079 0.000 1.004 193 W HN 0.088 nan 8.180 nan 0.000 0.608 194 A N 1.943 124.575 122.820 -0.313 0.000 3.218 194 A HA 0.343 4.663 4.320 0.001 0.000 0.321 194 A C -1.739 175.299 177.584 -0.910 0.000 1.012 194 A CA -1.061 50.383 52.037 -0.988 0.000 0.948 194 A CB -0.068 18.385 19.000 -0.913 0.000 1.050 194 A HN -0.106 nan 8.150 nan 0.000 0.492 195 P HA -0.139 nan 4.420 nan 0.000 0.223 195 P C 1.233 178.395 177.300 -0.230 0.000 1.151 195 P CA 0.854 63.769 63.100 -0.309 0.000 0.787 195 P CB -0.262 31.365 31.700 -0.121 0.000 0.788 196 F N -2.487 117.450 119.950 -0.021 0.000 2.365 196 F HA 0.043 4.571 4.527 0.001 0.000 0.300 196 F C 2.043 177.883 175.800 0.066 0.000 1.090 196 F CA 0.381 58.408 58.000 0.045 0.000 1.408 196 F CB -1.618 37.442 39.000 0.101 0.000 1.060 196 F HN -0.175 nan 8.300 nan 0.000 0.534 197 F N 1.310 120.992 119.950 -0.448 0.000 2.343 197 F HA 0.396 4.924 4.527 0.001 0.000 0.286 197 F C 2.369 177.999 175.800 -0.284 0.000 1.057 197 F CA 0.697 58.440 58.000 -0.428 0.000 1.365 197 F CB -0.747 37.684 39.000 -0.949 0.000 1.114 197 F HN -0.058 nan 8.300 nan 0.000 0.545 198 A N 1.008 123.632 122.820 -0.326 0.000 1.978 198 A HA -0.161 4.159 4.320 0.001 0.000 0.220 198 A C 2.257 179.684 177.584 -0.262 0.000 1.170 198 A CA 2.500 54.358 52.037 -0.298 0.000 0.636 198 A CB -1.404 17.451 19.000 -0.241 0.000 0.810 198 A HN 0.433 nan 8.150 nan 0.000 0.448 199 K N -1.079 119.194 120.400 -0.212 0.000 2.026 199 K HA -0.122 4.199 4.320 0.001 0.000 0.208 199 K C 2.089 178.548 176.600 -0.236 0.000 1.048 199 K CA 2.312 58.501 56.287 -0.164 0.000 0.929 199 K CB -1.756 30.692 32.500 -0.087 0.000 0.713 199 K HN 0.512 nan 8.250 nan 0.000 0.439 200 T N -0.515 113.843 114.554 -0.326 0.000 2.857 200 T HA 0.029 4.380 4.350 0.001 0.000 0.266 200 T C 0.143 174.357 174.700 -0.811 0.000 1.048 200 T CA 1.052 62.819 62.100 -0.554 0.000 1.139 200 T CB -0.210 68.272 68.868 -0.644 0.000 0.874 200 T HN 0.543 nan 8.240 nan 0.000 0.455 201 Y N 1.273 121.257 120.300 -0.525 0.000 2.638 201 Y HA 0.304 4.855 4.550 0.001 0.000 0.367 201 Y C -1.794 173.874 175.900 -0.388 0.000 1.001 201 Y CA -2.818 54.981 58.100 -0.502 0.000 1.133 201 Y CB 0.865 38.855 38.460 -0.785 0.000 1.199 201 Y HN 0.093 nan 8.280 nan 0.000 0.642 202 P HA -0.117 nan 4.420 nan 0.000 0.222 202 P C 0.492 177.741 177.300 -0.084 0.000 1.147 202 P CA 1.249 64.274 63.100 -0.125 0.000 0.790 202 P CB 0.553 32.187 31.700 -0.109 0.000 0.780 203 N N -0.534 118.127 118.700 -0.065 0.000 2.521 203 N HA -0.033 4.708 4.740 0.001 0.000 0.188 203 N C 1.610 177.083 175.510 -0.061 0.000 1.146 203 N CA 0.303 53.324 53.050 -0.048 0.000 0.893 203 N CB -0.697 37.772 38.487 -0.030 0.000 0.975 203 N HN 0.076 nan 8.380 nan 0.000 0.451 204 V N -0.257 119.610 119.914 -0.078 0.000 2.379 204 V HA 0.155 4.275 4.120 0.001 0.000 0.243 204 V C 1.218 177.233 176.094 -0.132 0.000 1.035 204 V CA 1.187 63.416 62.300 -0.118 0.000 1.035 204 V CB -1.115 30.658 31.823 -0.083 0.000 0.673 204 V HN 0.454 nan 8.190 nan 0.000 0.457 205 G N -1.252 107.490 108.800 -0.097 0.000 2.733 205 G HA2 -0.239 3.721 3.960 0.001 0.000 0.686 205 G HA3 -0.239 3.721 3.960 0.001 0.000 0.686 205 G C -0.479 174.400 174.900 -0.034 0.000 1.373 205 G CA -0.233 44.843 45.100 -0.041 0.000 0.838 205 G HN 0.458 nan 8.290 nan 0.000 0.588 206 W N 1.937 123.177 121.300 -0.100 0.000 2.435 206 W HA 0.323 4.984 4.660 0.001 0.000 0.337 206 W C 1.402 177.909 176.519 -0.021 0.000 1.300 206 W CA 2.159 59.460 57.345 -0.074 0.000 1.298 206 W CB -0.220 29.213 29.460 -0.045 0.000 1.217 206 W HN 2.445 nan 8.180 nan 0.000 0.565 207 G N 4.268 112.926 108.800 -0.236 0.000 2.220 207 G HA2 -0.354 3.607 3.960 0.001 0.000 0.269 207 G HA3 -0.354 3.607 3.960 0.001 0.000 0.269 207 G C 0.457 175.332 174.900 -0.042 0.000 0.977 207 G CA 0.434 45.568 45.100 0.057 0.000 0.634 207 G HN 0.567 nan 8.290 nan 0.000 0.539 208 N N 1.697 120.210 118.700 -0.312 0.000 3.254 208 N HA 0.163 4.904 4.740 0.001 0.000 0.308 208 N C 1.573 176.523 175.510 -0.933 0.000 1.281 208 N CA 0.245 52.787 53.050 -0.847 0.000 1.212 208 N CB -0.665 37.372 38.487 -0.749 0.000 1.478 208 N HN 0.791 nan 8.380 nan 0.000 0.548 209 W N 0.727 121.565 121.300 -0.769 0.000 2.392 209 W HA -0.203 4.457 4.660 0.001 0.000 0.279 209 W C 0.562 176.772 176.519 -0.515 0.000 1.225 209 W CA 0.313 57.272 57.345 -0.642 0.000 1.233 209 W CB -0.971 27.837 29.460 -1.087 0.000 1.122 209 W HN 0.343 nan 8.180 nan 0.000 0.561 210 Y N 1.045 120.603 120.300 -1.237 0.000 2.546 210 Y HA 0.383 4.933 4.550 0.001 0.000 0.287 210 Y C 1.064 176.665 175.900 -0.498 0.000 1.158 210 Y CA -0.665 56.770 58.100 -1.109 0.000 1.307 210 Y CB -1.029 36.499 38.460 -1.554 0.000 1.036 210 Y HN -0.281 nan 8.280 nan 0.000 0.532 211 K N 1.207 121.237 120.400 -0.617 0.000 2.319 211 K HA 0.105 4.425 4.320 0.001 0.000 0.265 211 K C 1.538 178.055 176.600 -0.138 0.000 1.000 211 K CA 0.571 56.668 56.287 -0.316 0.000 0.943 211 K CB 0.667 32.960 32.500 -0.345 0.000 0.950 211 K HN 0.424 nan 8.250 nan 0.000 0.485 212 E N 2.716 122.873 120.200 -0.072 0.000 2.097 212 E HA -0.253 4.098 4.350 0.001 0.000 0.196 212 E C 1.623 178.211 176.600 -0.021 0.000 1.000 212 E CA 2.092 58.479 56.400 -0.022 0.000 0.804 212 E CB -0.623 29.073 29.700 -0.007 0.000 0.740 212 E HN 0.713 nan 8.360 nan 0.000 0.454 213 E N 0.280 120.439 120.200 -0.068 0.000 2.110 213 E HA -0.081 4.270 4.350 0.001 0.000 0.193 213 E C 2.314 178.910 176.600 -0.007 0.000 0.988 213 E CA 1.312 57.613 56.400 -0.165 0.000 0.804 213 E CB -0.246 29.163 29.700 -0.484 0.000 0.745 213 E HN 0.478 nan 8.360 nan 0.000 0.458 214 S N 0.027 115.761 115.700 0.056 0.000 2.345 214 S HA -0.079 4.392 4.470 0.001 0.000 0.220 214 S C 1.890 176.566 174.600 0.127 0.000 1.031 214 S CA 0.738 58.997 58.200 0.098 0.000 0.996 214 S CB -0.283 62.921 63.200 0.006 0.000 0.882 214 S HN 0.196 nan 8.310 nan 0.000 0.445 215 L N 1.134 122.427 121.223 0.117 0.000 2.043 215 L HA -0.149 4.191 4.340 0.001 0.000 0.212 215 L C 3.117 179.975 176.870 -0.020 0.000 1.075 215 L CA 1.730 56.671 54.840 0.168 0.000 0.752 215 L CB -0.736 41.450 42.059 0.212 0.000 0.891 215 L HN 0.292 nan 8.230 nan 0.000 0.432 216 R N -0.260 120.247 120.500 0.012 0.000 2.075 216 R HA -0.144 4.196 4.340 0.001 0.000 0.232 216 R C 1.049 177.341 176.300 -0.014 0.000 1.126 216 R CA 0.630 56.715 56.100 -0.025 0.000 0.963 216 R CB -0.665 29.651 30.300 0.025 0.000 0.858 216 R HN 0.515 nan 8.270 nan 0.000 0.435 220 T N 1.703 116.075 114.554 -0.303 0.000 2.759 220 T HA -0.160 4.191 4.350 0.001 0.000 0.269 220 T C 1.891 176.448 174.700 -0.238 0.000 1.042 220 T CA 2.446 64.405 62.100 -0.235 0.000 1.140 220 T CB -0.502 68.229 68.868 -0.229 0.000 0.864 220 T HN 0.667 nan 8.240 nan 0.000 0.455 221 S N 2.026 117.567 115.700 -0.265 0.000 2.355 221 S HA 0.021 4.491 4.470 0.001 0.000 0.222 221 S C 2.100 176.576 174.600 -0.207 0.000 1.031 221 S CA 0.801 58.874 58.200 -0.213 0.000 0.993 221 S CB -0.826 62.303 63.200 -0.118 0.000 0.859 221 S HN 0.439 nan 8.310 nan 0.000 0.453 222 L N 1.209 122.323 121.223 -0.183 0.000 2.201 222 L HA -0.020 4.321 4.340 0.001 0.000 0.212 222 L C 2.835 179.590 176.870 -0.191 0.000 1.105 222 L CA 1.326 56.033 54.840 -0.221 0.000 0.775 222 L CB -0.689 41.341 42.059 -0.047 0.000 0.913 222 L HN 0.405 nan 8.230 nan 0.000 0.440 223 E N -0.266 119.846 120.200 -0.146 0.000 2.077 223 E HA -0.133 4.218 4.350 0.001 0.000 0.193 223 E C 1.302 177.836 176.600 -0.110 0.000 0.989 223 E CA 0.747 57.086 56.400 -0.102 0.000 0.800 223 E CB 0.096 29.740 29.700 -0.094 0.000 0.746 223 E HN 0.099 nan 8.360 nan 0.000 0.452 227 Q N 0.634 120.420 119.800 -0.022 0.000 2.291 227 Q HA -0.009 4.332 4.340 0.001 0.000 0.205 227 Q C 1.561 177.516 176.000 -0.074 0.000 0.970 227 Q CA 1.496 57.276 55.803 -0.039 0.000 0.876 227 Q CB 0.418 29.126 28.738 -0.049 0.000 0.935 227 Q HN 0.117 nan 8.270 nan 0.000 0.455 228 V N -1.655 118.192 119.914 -0.113 0.000 2.908 228 V HA -0.016 4.104 4.120 0.001 0.000 0.240 228 V C -0.097 175.726 176.094 -0.452 0.000 1.117 228 V CA 0.649 62.761 62.300 -0.313 0.000 1.133 228 V CB 0.264 31.848 31.823 -0.397 0.000 0.857 228 V HN 0.177 nan 8.190 nan 0.000 0.478 229 Y N 1.409 121.791 120.300 0.137 0.000 2.658 229 Y HA 0.402 4.953 4.550 0.001 0.000 0.362 229 Y C -1.646 174.382 175.900 0.213 0.000 1.017 229 Y CA -2.623 55.588 58.100 0.184 0.000 1.134 229 Y CB 0.429 39.061 38.460 0.286 0.000 1.144 229 Y HN 0.178 nan 8.280 nan 0.000 0.655 230 P HA -0.088 nan 4.420 nan 0.000 0.220 230 P C -0.137 177.248 177.300 0.143 0.000 1.148 230 P CA 1.297 64.494 63.100 0.162 0.000 0.803 230 P CB 0.679 32.428 31.700 0.082 0.000 0.782 234 F N 2.282 122.196 119.950 -0.060 0.000 2.522 234 F HA 0.832 5.360 4.527 0.001 0.000 0.324 234 F C 0.500 176.239 175.800 -0.102 0.000 1.077 234 F CA -0.621 57.318 58.000 -0.102 0.000 0.944 234 F CB 1.967 40.916 39.000 -0.086 0.000 1.175 234 F HN 0.360 nan 8.300 nan 0.000 0.468 235 L N -0.347 120.903 121.223 0.044 0.000 2.933 235 L HA 0.706 5.047 4.340 0.001 0.000 0.271 235 L C -2.336 174.444 176.870 -0.150 0.000 1.071 235 L CA -1.054 53.762 54.840 -0.040 0.000 0.938 235 L CB 2.132 44.078 42.059 -0.188 0.000 1.534 235 L HN 0.427 nan 8.230 nan 0.000 0.396 236 Y N 0.216 120.268 120.300 -0.413 0.000 2.425 236 Y HA 0.681 5.232 4.550 0.001 0.000 0.344 236 Y C 0.071 175.407 175.900 -0.940 0.000 0.969 236 Y CA -0.447 57.335 58.100 -0.530 0.000 1.052 236 Y CB 2.375 40.541 38.460 -0.489 0.000 1.215 236 Y HN 0.733 nan 8.280 nan 0.000 0.451 237 S N 2.373 117.740 115.700 -0.555 0.000 2.585 237 S HA 0.808 5.279 4.470 0.001 0.000 0.277 237 S C -1.129 173.111 174.600 -0.601 0.000 1.241 237 S CA -0.492 57.291 58.200 -0.696 0.000 1.041 237 S CB 0.671 63.603 63.200 -0.446 0.000 0.987 237 S HN 0.300 nan 8.310 nan 0.000 0.512 238 F N 1.024 120.688 119.950 -0.476 0.000 2.577 238 F HA 0.461 4.988 4.527 0.001 0.000 0.318 238 F C 0.618 175.998 175.800 -0.699 0.000 1.065 238 F CA -1.577 56.146 58.000 -0.461 0.000 0.929 238 F CB 1.735 40.442 39.000 -0.489 0.000 1.237 238 F HN 0.712 nan 8.300 nan 0.000 0.468 239 D N -1.959 118.409 120.400 -0.053 0.000 2.500 239 D HA -0.007 4.634 4.640 0.001 0.000 0.217 239 D C 0.328 176.831 176.300 0.338 0.000 1.159 239 D CA 0.072 54.109 54.000 0.062 0.000 0.828 239 D CB -0.607 40.427 40.800 0.390 0.000 1.039 239 D HN 0.494 nan 8.370 nan 0.000 0.512 240 H N 1.114 120.399 119.070 0.359 0.000 3.070 240 H HA 0.162 4.719 4.556 0.001 0.000 0.313 240 H C 1.411 177.056 175.328 0.528 0.000 0.997 240 H CA 1.396 57.707 56.048 0.439 0.000 1.438 240 H CB 1.307 31.334 29.762 0.443 0.000 1.455 240 H HN 0.222 nan 8.280 nan 0.000 0.575 241 G N 3.712 112.574 108.800 0.104 0.000 2.534 241 G HA2 -0.190 3.770 3.960 0.001 0.000 0.217 241 G HA3 -0.190 3.770 3.960 0.001 0.000 0.217 241 G C 0.645 175.683 174.900 0.230 0.000 1.128 241 G CA 0.208 45.444 45.100 0.227 0.000 0.784 241 G HN 0.620 nan 8.290 nan 0.000 0.542 242 D N 1.281 121.840 120.400 0.265 0.000 2.517 242 D HA 0.142 4.782 4.640 0.001 0.000 0.220 242 D C 1.974 178.424 176.300 0.250 0.000 1.158 242 D CA -0.328 53.816 54.000 0.240 0.000 0.992 242 D CB 0.726 41.666 40.800 0.234 0.000 1.058 242 D HN 0.083 nan 8.370 nan 0.000 0.516 243 V N 1.245 121.280 119.914 0.202 0.000 3.078 243 V HA -0.124 3.997 4.120 0.001 0.000 0.265 243 V C 1.972 178.209 176.094 0.239 0.000 1.122 243 V CA 0.752 63.183 62.300 0.219 0.000 1.141 243 V CB -0.743 31.126 31.823 0.076 0.000 0.735 243 V HN 0.189 nan 8.190 nan 0.000 0.498 244 K N -0.010 120.464 120.400 0.123 0.000 2.362 244 K HA 0.024 4.345 4.320 0.001 0.000 0.200 244 K C 2.043 178.659 176.600 0.027 0.000 1.046 244 K CA 0.958 57.290 56.287 0.075 0.000 0.952 244 K CB -0.586 31.928 32.500 0.024 0.000 0.753 244 K HN 0.684 nan 8.250 nan 0.000 0.466 245 K N -0.127 120.240 120.400 -0.055 0.000 2.209 245 K HA -0.058 4.263 4.320 0.001 0.000 0.204 245 K C 1.879 178.464 176.600 -0.025 0.000 1.048 245 K CA 1.386 57.513 56.287 -0.266 0.000 0.940 245 K CB -0.581 31.479 32.500 -0.732 0.000 0.729 245 K HN 0.456 nan 8.250 nan 0.000 0.451 246 Y N 1.884 122.287 120.300 0.171 0.000 2.193 246 Y HA -0.197 4.354 4.550 0.001 0.000 0.285 246 Y C 2.175 178.117 175.900 0.070 0.000 1.166 246 Y CA 1.491 59.675 58.100 0.140 0.000 1.181 246 Y CB -0.176 38.210 38.460 -0.122 0.000 0.976 246 Y HN 0.266 nan 8.280 nan 0.000 0.520 247 E N -0.430 119.879 120.200 0.183 0.000 2.170 247 E HA -0.125 4.225 4.350 0.001 0.000 0.191 247 E C 1.611 178.236 176.600 0.041 0.000 0.981 247 E CA 0.849 57.309 56.400 0.099 0.000 0.830 247 E CB -0.038 29.703 29.700 0.068 0.000 0.775 247 E HN 0.598 nan 8.360 nan 0.000 0.470 248 E N 0.537 120.731 120.200 -0.010 0.000 2.435 248 E HA -0.016 4.334 4.350 0.001 0.000 0.195 248 E C 0.384 176.954 176.600 -0.050 0.000 1.029 248 E CA 0.181 56.547 56.400 -0.055 0.000 0.865 248 E CB 0.676 30.297 29.700 -0.131 0.000 0.833 248 E HN 0.048 nan 8.360 nan 0.000 0.510 249 V N -1.743 118.158 119.914 -0.022 0.000 3.040 249 V HA 0.356 4.477 4.120 0.001 0.000 0.312 249 V C -0.884 175.255 176.094 0.074 0.000 1.115 249 V CA -1.384 60.922 62.300 0.009 0.000 0.998 249 V CB 2.105 33.907 31.823 -0.034 0.000 1.042 249 V HN -0.218 nan 8.190 nan 0.000 0.433 250 D N 2.591 123.049 120.400 0.096 0.000 2.344 250 D HA 0.309 4.950 4.640 0.001 0.000 0.253 250 D C 0.549 176.910 176.300 0.102 0.000 1.255 250 D CA 0.089 54.155 54.000 0.110 0.000 0.894 250 D CB 0.551 41.434 40.800 0.138 0.000 1.067 250 D HN 1.036 nan 8.370 nan 0.000 0.492 251 C N 2.137 121.393 119.300 -0.074 0.000 2.994 251 C HA 0.339 4.800 4.460 0.001 0.000 0.250 251 C C 1.884 176.524 174.990 -0.584 0.000 1.814 251 C CA -0.028 58.647 59.018 -0.571 0.000 1.730 251 C CB -1.382 26.243 27.740 -0.191 0.000 3.258 251 C HN 0.458 nan 8.230 nan 0.000 0.472 252 S N 1.529 117.077 115.700 -0.253 0.000 2.442 252 S HA -0.185 4.286 4.470 0.001 0.000 0.236 252 S C 1.241 175.799 174.600 -0.069 0.000 1.007 252 S CA 1.318 59.468 58.200 -0.083 0.000 0.965 252 S CB -0.961 62.255 63.200 0.026 0.000 0.773 252 S HN 0.890 nan 8.310 nan 0.000 0.504 253 F N 1.265 121.273 119.950 0.098 0.000 2.641 253 F HA 0.403 4.930 4.527 0.001 0.000 0.298 253 F C 0.454 176.307 175.800 0.088 0.000 1.146 253 F CA -0.644 57.403 58.000 0.077 0.000 1.464 253 F CB -0.886 38.150 39.000 0.060 0.000 1.101 253 F HN 0.059 nan 8.300 nan 0.000 0.585 254 L N 1.723 122.881 121.223 -0.109 0.000 2.305 254 L HA 0.206 4.547 4.340 0.001 0.000 0.281 254 L C 0.681 177.553 176.870 0.002 0.000 1.085 254 L CA -0.401 54.452 54.840 0.021 0.000 0.813 254 L CB 0.822 42.886 42.059 0.009 0.000 1.157 254 L HN -0.022 nan 8.230 nan 0.000 0.436 255 D N 2.880 123.276 120.400 -0.007 0.000 2.289 255 D HA 0.141 4.782 4.640 0.001 0.000 0.207 255 D C 0.124 176.305 176.300 -0.199 0.000 0.966 255 D CA 0.859 54.812 54.000 -0.079 0.000 0.868 255 D CB 0.386 41.154 40.800 -0.053 0.000 0.943 255 D HN 0.399 nan 8.370 nan 0.000 0.514 256 L N -3.897 117.187 121.223 -0.231 0.000 2.720 256 L HA 0.508 4.849 4.340 0.001 0.000 0.261 256 L C -1.802 174.922 176.870 -0.245 0.000 1.046 256 L CA -1.259 53.356 54.840 -0.375 0.000 0.886 256 L CB 1.327 43.160 42.059 -0.377 0.000 1.493 256 L HN -0.368 nan 8.230 nan 0.000 0.407 257 Y N -0.414 119.650 120.300 -0.393 0.000 2.364 257 Y HA 0.620 5.171 4.550 0.001 0.000 0.340 257 Y C -0.294 175.381 175.900 -0.374 0.000 0.975 257 Y CA -1.173 56.691 58.100 -0.392 0.000 1.089 257 Y CB 1.663 39.808 38.460 -0.524 0.000 1.192 257 Y HN 0.552 nan 8.280 nan 0.000 0.454 258 E N 3.177 123.252 120.200 -0.207 0.000 2.101 258 E HA 0.168 4.519 4.350 0.001 0.000 0.260 258 E C -1.594 174.929 176.600 -0.129 0.000 0.897 258 E CA -0.509 55.773 56.400 -0.196 0.000 0.744 258 E CB 0.413 29.938 29.700 -0.292 0.000 1.140 258 E HN 0.805 nan 8.360 nan 0.000 0.419 259 H N 2.283 121.338 119.070 -0.025 0.000 2.489 259 H HA 0.316 4.872 4.556 0.001 0.000 0.343 259 H C -0.737 174.654 175.328 0.105 0.000 1.086 259 H CA -0.415 55.653 56.048 0.033 0.000 1.198 259 H CB 0.783 30.629 29.762 0.140 0.000 1.490 259 H HN 0.483 nan 8.280 nan 0.000 0.504 260 H N 5.304 124.207 119.070 -0.279 0.000 2.562 260 H HA 0.372 4.928 4.556 0.001 0.000 0.314 260 H C -0.272 174.831 175.328 -0.375 0.000 1.079 260 H CA -0.597 55.171 56.048 -0.468 0.000 1.349 260 H CB 1.224 30.697 29.762 -0.483 0.000 1.432 260 H HN 0.386 nan 8.280 nan 0.000 0.479 261 I N 3.841 124.105 120.570 -0.510 0.000 2.500 261 I HA 0.168 4.339 4.170 0.001 0.000 0.286 261 I C -0.854 175.100 176.117 -0.271 0.000 1.063 261 I CA -0.456 60.769 61.300 -0.124 0.000 1.062 261 I CB 1.437 39.560 38.000 0.206 0.000 1.223 261 I HN 0.505 nan 8.210 nan 0.000 0.435 265 Q N 0.353 120.261 119.800 0.179 0.000 2.356 265 Q HA 0.140 4.481 4.340 0.001 0.000 0.205 265 Q C -0.014 176.165 176.000 0.298 0.000 0.901 265 Q CA 0.010 56.002 55.803 0.315 0.000 0.938 265 Q CB 0.300 29.305 28.738 0.444 0.000 1.081 265 Q HN 0.576 nan 8.270 nan 0.000 0.517 266 Q N 1.044 121.013 119.800 0.282 0.000 2.454 266 Q HA -0.024 4.317 4.340 0.001 0.000 0.247 266 Q C 0.194 176.356 176.000 0.270 0.000 1.028 266 Q CA 0.195 56.155 55.803 0.261 0.000 0.910 266 Q CB 0.181 29.062 28.738 0.239 0.000 1.276 266 Q HN 0.164 nan 8.270 nan 0.000 0.489 267 N N 0.071 118.901 118.700 0.217 0.000 2.714 267 N HA -0.214 4.527 4.740 0.001 0.000 0.253 267 N C 0.247 175.887 175.510 0.217 0.000 1.024 267 N CA 1.566 54.740 53.050 0.207 0.000 0.726 267 N CB -1.230 37.398 38.487 0.236 0.000 0.908 267 N HN 0.965 nan 8.380 nan 0.000 0.542 268 G N -0.740 108.176 108.800 0.192 0.000 2.249 268 G HA2 0.067 4.027 3.960 0.001 0.000 0.273 268 G HA3 0.067 4.027 3.960 0.001 0.000 0.273 268 G C 1.267 176.298 174.900 0.218 0.000 1.036 268 G CA 1.028 46.236 45.100 0.180 0.000 0.824 268 G HN 1.903 nan 8.290 nan 0.000 0.504 269 G N -0.932 108.026 108.800 0.263 0.000 2.225 269 G HA2 -0.267 3.694 3.960 0.001 0.000 0.264 269 G HA3 -0.267 3.694 3.960 0.001 0.000 0.264 269 G C 0.812 175.903 174.900 0.317 0.000 1.060 269 G CA 1.270 46.555 45.100 0.308 0.000 0.833 269 G HN 1.141 nan 8.290 nan 0.000 0.498 270 E N -0.976 119.438 120.200 0.356 0.000 2.049 270 E HA -0.198 4.153 4.350 0.001 0.000 0.198 270 E C 2.014 178.867 176.600 0.422 0.000 1.007 270 E CA 1.487 58.134 56.400 0.411 0.000 0.809 270 E CB -0.158 29.864 29.700 0.537 0.000 0.749 270 E HN 0.684 nan 8.360 nan 0.000 0.450 271 F N 0.340 120.416 119.950 0.211 0.000 2.065 271 F HA -0.287 4.241 4.527 0.001 0.000 0.298 271 F C 1.989 177.784 175.800 -0.007 0.000 1.112 271 F CA 1.785 59.668 58.000 -0.196 0.000 1.212 271 F CB -0.467 38.146 39.000 -0.644 0.000 0.975 271 F HN 0.136 nan 8.300 nan 0.000 0.476 272 Y N 0.667 121.031 120.300 0.106 0.000 2.293 272 Y HA -0.109 4.441 4.550 0.001 0.000 0.291 272 Y C 2.336 178.225 175.900 -0.019 0.000 1.137 272 Y CA 1.103 59.210 58.100 0.012 0.000 1.202 272 Y CB -0.956 37.566 38.460 0.104 0.000 0.990 272 Y HN 0.099 nan 8.280 nan 0.000 0.537 273 K N -0.190 120.328 120.400 0.196 0.000 2.057 273 K HA -0.140 4.181 4.320 0.001 0.000 0.207 273 K C 2.025 178.660 176.600 0.058 0.000 1.049 273 K CA 1.249 57.608 56.287 0.121 0.000 0.931 273 K CB -0.384 32.200 32.500 0.140 0.000 0.714 273 K HN 0.260 nan 8.250 nan 0.000 0.440 274 L N 0.409 121.653 121.223 0.034 0.000 2.056 274 L HA -0.175 4.165 4.340 0.001 0.000 0.207 274 L C 2.289 179.099 176.870 -0.100 0.000 1.078 274 L CA 0.891 55.718 54.840 -0.022 0.000 0.749 274 L CB -0.339 41.720 42.059 0.000 0.000 0.901 274 L HN -0.012 nan 8.230 nan 0.000 0.433 275 V N -0.349 119.445 119.914 -0.199 0.000 2.548 275 V HA -0.029 4.091 4.120 0.001 0.000 0.249 275 V C 1.463 177.521 176.094 -0.060 0.000 1.055 275 V CA 1.403 63.591 62.300 -0.186 0.000 1.065 275 V CB -0.688 30.971 31.823 -0.272 0.000 0.681 275 V HN 0.731 nan 8.190 nan 0.000 0.462 276 G N -0.851 107.935 108.800 -0.024 0.000 2.207 276 G HA2 -0.283 3.678 3.960 0.001 0.000 0.216 276 G HA3 -0.283 3.678 3.960 0.001 0.000 0.216 276 G C -0.315 174.556 174.900 -0.048 0.000 1.053 276 G CA 0.009 45.094 45.100 -0.025 0.000 0.764 276 G HN 0.484 nan 8.290 nan 0.000 0.495 277 Y N 0.478 120.635 120.300 -0.237 0.000 2.331 277 Y HA 0.542 5.092 4.550 0.001 0.000 0.338 277 Y C 0.949 176.530 175.900 -0.532 0.000 0.992 277 Y CA -0.246 57.560 58.100 -0.489 0.000 1.121 277 Y CB 1.858 39.812 38.460 -0.845 0.000 1.184 277 Y HN 0.271 nan 8.280 nan 0.000 0.469 278 G N 3.808 112.013 108.800 -0.991 0.000 3.993 278 G HA2 0.107 4.068 3.960 0.001 0.000 0.294 278 G HA3 0.107 4.068 3.960 0.001 0.000 0.294 278 G C -0.750 173.843 174.900 -0.512 0.000 1.043 278 G CA -0.337 44.425 45.100 -0.563 0.000 0.839 278 G HN 0.844 nan 8.290 nan 0.000 0.516 279 Y N -0.939 118.636 120.300 -1.208 0.000 4.079 279 Y HA -0.236 4.315 4.550 0.001 0.000 0.223 279 Y C 1.097 176.750 175.900 -0.413 0.000 1.155 279 Y CA 0.248 57.932 58.100 -0.693 0.000 1.805 279 Y CB -2.288 35.998 38.460 -0.291 0.000 1.571 279 Y HN 0.419 nan 8.280 nan 0.000 0.654 280 N N 1.715 120.195 118.700 -0.367 0.000 2.411 280 N HA -0.001 4.739 4.740 0.001 0.000 0.261 280 N C 1.118 176.592 175.510 -0.059 0.000 1.248 280 N CA 0.441 53.404 53.050 -0.145 0.000 0.885 280 N CB 0.486 38.892 38.487 -0.136 0.000 1.062 280 N HN 0.494 nan 8.380 nan 0.000 0.471 281 R N 2.712 123.213 120.500 0.003 0.000 2.210 281 R HA 0.031 4.371 4.340 0.001 0.000 0.203 281 R C 0.495 176.492 176.300 -0.506 0.000 1.010 281 R CA 0.972 56.988 56.100 -0.140 0.000 1.008 281 R CB 0.279 30.501 30.300 -0.129 0.000 0.923 281 R HN 0.533 nan 8.270 nan 0.000 0.469 282 F N -0.598 119.436 119.950 0.139 0.000 2.817 282 F HA 0.318 4.845 4.527 0.001 0.000 0.333 282 F C 0.329 176.179 175.800 0.083 0.000 1.085 282 F CA -0.216 57.855 58.000 0.119 0.000 1.170 282 F CB 0.751 39.807 39.000 0.094 0.000 1.066 282 F HN -0.230 nan 8.300 nan 0.000 0.564 283 L N 1.963 123.293 121.223 0.178 0.000 2.342 283 L HA 0.416 4.757 4.340 0.001 0.000 0.271 283 L C -1.560 175.363 176.870 0.089 0.000 1.008 283 L CA -1.722 53.193 54.840 0.125 0.000 0.818 283 L CB 2.158 44.274 42.059 0.095 0.000 1.296 283 L HN -0.311 nan 8.230 nan 0.000 0.427 284 P HA 0.006 nan 4.420 nan 0.000 0.240 284 P C 0.246 177.613 177.300 0.111 0.000 1.190 284 P CA 0.479 63.651 63.100 0.120 0.000 0.781 284 P CB 0.346 32.135 31.700 0.148 0.000 0.931 285 D N 0.596 121.036 120.400 0.066 0.000 2.123 285 D HA -0.177 4.464 4.640 0.001 0.000 0.196 285 D C 1.527 177.840 176.300 0.022 0.000 0.992 285 D CA 1.289 55.316 54.000 0.044 0.000 0.833 285 D CB -0.575 40.237 40.800 0.019 0.000 0.954 285 D HN 0.085 nan 8.370 nan 0.000 0.455 286 D N -0.485 119.891 120.400 -0.041 0.000 2.104 286 D HA -0.175 4.466 4.640 0.001 0.000 0.194 286 D C 1.777 178.103 176.300 0.043 0.000 0.994 286 D CA 0.932 54.863 54.000 -0.115 0.000 0.830 286 D CB -0.427 40.093 40.800 -0.467 0.000 0.959 286 D HN 0.284 nan 8.370 nan 0.000 0.452 287 Y N 1.071 121.395 120.300 0.041 0.000 2.274 287 Y HA -0.094 4.457 4.550 0.001 0.000 0.290 287 Y C 2.199 178.097 175.900 -0.003 0.000 1.145 287 Y CA 1.012 59.090 58.100 -0.037 0.000 1.203 287 Y CB -0.020 38.286 38.460 -0.256 0.000 0.984 287 Y HN -0.060 nan 8.280 nan 0.000 0.533 288 K N -0.307 120.207 120.400 0.190 0.000 2.147 288 K HA -0.173 4.147 4.320 0.001 0.000 0.205 288 K C 1.632 178.294 176.600 0.103 0.000 1.049 288 K CA 1.340 57.718 56.287 0.153 0.000 0.936 288 K CB -0.122 32.450 32.500 0.120 0.000 0.722 288 K HN 0.269 nan 8.250 nan 0.000 0.446 289 N N 0.413 119.158 118.700 0.075 0.000 2.270 289 N HA -0.098 4.643 4.740 0.001 0.000 0.181 289 N C 1.761 177.300 175.510 0.048 0.000 1.016 289 N CA 0.750 53.827 53.050 0.044 0.000 0.870 289 N CB -0.199 38.299 38.487 0.019 0.000 0.979 289 N HN -0.060 nan 8.380 nan 0.000 0.431 290 V N 0.628 120.579 119.914 0.062 0.000 2.295 290 V HA -0.158 3.963 4.120 0.001 0.000 0.246 290 V C 2.402 178.572 176.094 0.126 0.000 1.049 290 V CA 1.114 63.454 62.300 0.067 0.000 1.024 290 V CB -0.524 31.279 31.823 -0.033 0.000 0.648 290 V HN 0.050 nan 8.190 nan 0.000 0.447 291 V N -0.025 119.969 119.914 0.133 0.000 2.287 291 V HA -0.289 3.832 4.120 0.001 0.000 0.248 291 V C 2.682 178.832 176.094 0.094 0.000 1.053 291 V CA 2.505 64.885 62.300 0.134 0.000 1.027 291 V CB -0.750 31.167 31.823 0.157 0.000 0.646 291 V HN 0.558 nan 8.190 nan 0.000 0.447 292 K N -0.290 120.151 120.400 0.069 0.000 2.062 292 K HA -0.072 4.249 4.320 0.001 0.000 0.205 292 K C 1.681 178.289 176.600 0.013 0.000 1.051 292 K CA 1.745 58.055 56.287 0.039 0.000 0.941 292 K CB -0.334 32.184 32.500 0.031 0.000 0.719 292 K HN 0.737 nan 8.250 nan 0.000 0.440 293 N N -1.155 117.545 118.700 0.000 0.000 2.317 293 N HA 0.277 5.018 4.740 0.001 0.000 0.199 293 N C 1.601 177.053 175.510 -0.097 0.000 1.145 293 N CA 0.810 53.830 53.050 -0.050 0.000 0.882 293 N CB 0.036 38.480 38.487 -0.072 0.000 1.113 293 N HN 0.311 nan 8.380 nan 0.000 0.486 294 A N 1.800 124.601 122.820 -0.032 0.000 1.851 294 A HA -0.208 4.113 4.320 0.001 0.000 0.216 294 A C 2.091 179.536 177.584 -0.231 0.000 1.195 294 A CA 1.808 53.853 52.037 0.014 0.000 0.622 294 A CB -0.677 18.567 19.000 0.407 0.000 0.831 294 A HN 0.366 nan 8.150 nan 0.000 0.444 295 E N -0.667 119.297 120.200 -0.393 0.000 2.058 295 E HA -0.252 4.098 4.350 0.001 0.000 0.194 295 E C 2.363 178.709 176.600 -0.424 0.000 0.997 295 E CA 1.182 57.048 56.400 -0.890 0.000 0.801 295 E CB -0.198 29.164 29.700 -0.563 0.000 0.746 295 E HN 0.500 nan 8.360 nan 0.000 0.450 296 R N 0.432 120.810 120.500 -0.203 0.000 2.097 296 R HA -0.181 4.159 4.340 0.001 0.000 0.236 296 R C 2.295 178.563 176.300 -0.054 0.000 1.135 296 R CA 1.923 57.962 56.100 -0.101 0.000 0.934 296 R CB -0.647 29.616 30.300 -0.062 0.000 0.846 296 R HN 0.184 nan 8.270 nan 0.000 0.431 297 V N 0.492 120.371 119.914 -0.060 0.000 2.332 297 V HA -0.272 3.848 4.120 0.001 0.000 0.248 297 V C 2.116 178.382 176.094 0.286 0.000 1.055 297 V CA 2.081 64.407 62.300 0.044 0.000 1.038 297 V CB -0.781 30.919 31.823 -0.204 0.000 0.651 297 V HN 0.430 nan 8.190 nan 0.000 0.450 298 Y N 1.318 121.638 120.300 0.034 0.000 2.133 298 Y HA -0.137 4.413 4.550 0.001 0.000 0.287 298 Y C 2.628 178.637 175.900 0.181 0.000 1.134 298 Y CA 1.599 59.740 58.100 0.068 0.000 1.133 298 Y CB -0.246 38.036 38.460 -0.296 0.000 0.987 298 Y HN 0.055 nan 8.280 nan 0.000 0.502 299 R N 0.365 120.782 120.500 -0.138 0.000 2.328 299 R HA -0.115 4.226 4.340 0.001 0.000 0.207 299 R C 1.955 178.200 176.300 -0.092 0.000 1.056 299 R CA 1.011 57.004 56.100 -0.179 0.000 1.016 299 R CB -0.187 30.065 30.300 -0.080 0.000 0.872 299 R HN 0.521 nan 8.270 nan 0.000 0.471 300 E N 1.243 121.438 120.200 -0.009 0.000 2.150 300 E HA -0.137 4.214 4.350 0.001 0.000 0.193 300 E C 0.044 176.636 176.600 -0.013 0.000 0.985 300 E CA 0.886 57.292 56.400 0.010 0.000 0.814 300 E CB 0.285 30.021 29.700 0.061 0.000 0.752 300 E HN 0.273 nan 8.360 nan 0.000 0.466 301 R N -1.834 118.668 120.500 0.002 0.000 2.891 301 R HA 0.151 4.492 4.340 0.001 0.000 0.202 301 R C -2.608 173.666 176.300 -0.044 0.000 1.510 301 R CA -0.777 55.289 56.100 -0.056 0.000 1.294 301 R CB 0.261 30.478 30.300 -0.138 0.000 1.556 301 R HN -0.104 nan 8.270 nan 0.000 0.694 302 P HA -0.161 nan 4.420 nan 0.000 0.216 302 P C 1.430 178.763 177.300 0.055 0.000 1.150 302 P CA 1.968 64.907 63.100 -0.268 0.000 0.837 302 P CB 0.167 31.623 31.700 -0.408 0.000 0.786 303 G N -0.658 108.157 108.800 0.026 0.000 2.440 303 G HA2 -0.317 3.644 3.960 0.001 0.000 0.218 303 G HA3 -0.317 3.644 3.960 0.001 0.000 0.218 303 G C 1.648 176.574 174.900 0.044 0.000 1.154 303 G CA 0.728 45.857 45.100 0.048 0.000 0.767 303 G HN 0.233 nan 8.290 nan 0.000 0.552 304 Y N 0.234 120.442 120.300 -0.153 0.000 2.181 304 Y HA -0.159 4.392 4.550 0.001 0.000 0.288 304 Y C 2.520 178.297 175.900 -0.205 0.000 1.146 304 Y CA 1.672 59.609 58.100 -0.272 0.000 1.164 304 Y CB -0.298 37.846 38.460 -0.527 0.000 0.982 304 Y HN 0.325 nan 8.280 nan 0.000 0.515 305 W N 0.562 121.938 121.300 0.127 0.000 2.381 305 W HA -0.146 4.515 4.660 0.001 0.000 0.301 305 W C 2.510 179.059 176.519 0.051 0.000 1.205 305 W CA 1.172 58.578 57.345 0.101 0.000 1.285 305 W CB -0.531 29.125 29.460 0.325 0.000 1.133 305 W HN 0.037 nan 8.180 nan 0.000 0.521 306 Q N 0.599 120.587 119.800 0.313 0.000 2.135 306 Q HA -0.206 4.134 4.340 0.001 0.000 0.204 306 Q C 2.518 178.561 176.000 0.071 0.000 0.981 306 Q CA 2.389 58.307 55.803 0.191 0.000 0.856 306 Q CB -0.506 28.338 28.738 0.175 0.000 0.902 306 Q HN 0.397 nan 8.270 nan 0.000 0.425 307 K N 1.061 121.460 120.400 -0.002 0.000 2.062 307 K HA -0.061 4.260 4.320 0.001 0.000 0.205 307 K C 1.791 178.351 176.600 -0.066 0.000 1.051 307 K CA 1.122 57.379 56.287 -0.050 0.000 0.941 307 K CB -1.001 31.450 32.500 -0.081 0.000 0.719 307 K HN 0.171 nan 8.250 nan 0.000 0.440 308 L N -0.257 120.891 121.223 -0.124 0.000 2.012 308 L HA -0.174 4.166 4.340 0.001 0.000 0.210 308 L C 2.725 179.629 176.870 0.057 0.000 1.073 308 L CA 1.269 56.075 54.840 -0.057 0.000 0.748 308 L CB -0.507 41.525 42.059 -0.046 0.000 0.891 308 L HN 0.399 nan 8.230 nan 0.000 0.431 309 L N 0.108 121.387 121.223 0.093 0.000 1.976 309 L HA -0.208 4.133 4.340 0.001 0.000 0.209 309 L C 2.800 179.709 176.870 0.064 0.000 1.071 309 L CA 2.705 57.614 54.840 0.116 0.000 0.746 309 L CB -1.038 41.092 42.059 0.118 0.000 0.890 309 L HN 0.462 nan 8.230 nan 0.000 0.432 310 T N -4.137 110.425 114.554 0.013 0.000 2.881 310 T HA -0.151 4.199 4.350 0.001 0.000 0.270 310 T C 1.647 176.353 174.700 0.011 0.000 1.068 310 T CA 1.241 63.326 62.100 -0.025 0.000 1.131 310 T CB -0.644 68.197 68.868 -0.045 0.000 0.871 310 T HN 0.322 nan 8.240 nan 0.000 0.479 311 D N 1.268 121.683 120.400 0.025 0.000 2.117 311 D HA -0.011 4.630 4.640 0.001 0.000 0.198 311 D C 2.124 178.468 176.300 0.073 0.000 0.982 311 D CA 1.048 55.071 54.000 0.038 0.000 0.828 311 D CB -0.271 40.542 40.800 0.023 0.000 0.967 311 D HN 0.347 nan 8.370 nan 0.000 0.464 312 K N 0.945 121.405 120.400 0.101 0.000 2.057 312 K HA -0.007 4.313 4.320 0.001 0.000 0.206 312 K C 2.022 178.733 176.600 0.184 0.000 1.050 312 K CA 0.780 57.155 56.287 0.147 0.000 0.935 312 K CB -0.572 32.041 32.500 0.188 0.000 0.715 312 K HN 0.134 nan 8.250 nan 0.000 0.439 313 I N 0.959 121.635 120.570 0.177 0.000 2.226 313 I HA -0.252 3.918 4.170 0.001 0.000 0.245 313 I C 2.087 178.351 176.117 0.245 0.000 1.100 313 I CA 1.266 62.704 61.300 0.229 0.000 1.374 313 I CB -0.274 37.719 38.000 -0.012 0.000 1.057 313 I HN 0.212 nan 8.210 nan 0.000 0.413 314 E N 0.607 120.884 120.200 0.130 0.000 2.072 314 E HA -0.122 4.228 4.350 0.001 0.000 0.191 314 E C 1.180 177.845 176.600 0.108 0.000 0.985 314 E CA 0.513 56.978 56.400 0.109 0.000 0.801 314 E CB -0.469 29.264 29.700 0.055 0.000 0.750 314 E HN 0.218 nan 8.360 nan 0.000 0.452 318 S N 0.266 115.970 115.700 0.006 0.000 2.368 318 S HA -0.109 4.362 4.470 0.001 0.000 0.225 318 S C 1.855 176.447 174.600 -0.013 0.000 1.030 318 S CA 1.818 60.019 58.200 0.000 0.000 0.999 318 S CB -0.193 63.019 63.200 0.020 0.000 0.844 318 S HN 0.443 nan 8.310 nan 0.000 0.459 319 V N 1.752 121.661 119.914 -0.008 0.000 2.358 319 V HA -0.150 3.970 4.120 0.001 0.000 0.246 319 V C 2.574 178.658 176.094 -0.016 0.000 1.047 319 V CA 1.646 63.953 62.300 0.011 0.000 1.035 319 V CB -1.084 30.763 31.823 0.040 0.000 0.658 319 V HN 0.527 nan 8.190 nan 0.000 0.452 320 A N -0.032 122.728 122.820 -0.100 0.000 1.930 320 A HA -0.237 4.083 4.320 0.001 0.000 0.217 320 A C 2.409 179.880 177.584 -0.189 0.000 1.175 320 A CA 1.957 53.868 52.037 -0.209 0.000 0.627 320 A CB -0.535 18.234 19.000 -0.384 0.000 0.815 320 A HN 0.486 nan 8.150 nan 0.000 0.443 321 R N -0.337 120.085 120.500 -0.129 0.000 2.092 321 R HA -0.123 4.218 4.340 0.001 0.000 0.231 321 R C 2.409 178.667 176.300 -0.070 0.000 1.119 321 R CA 1.794 57.835 56.100 -0.098 0.000 0.970 321 R CB -0.205 30.056 30.300 -0.064 0.000 0.864 321 R HN 0.364 nan 8.270 nan 0.000 0.440 322 K N 0.598 120.972 120.400 -0.043 0.000 2.026 322 K HA -0.060 4.260 4.320 0.001 0.000 0.208 322 K C 1.482 178.069 176.600 -0.021 0.000 1.048 322 K CA 1.812 58.087 56.287 -0.020 0.000 0.929 322 K CB -0.489 32.013 32.500 0.003 0.000 0.713 322 K HN 0.444 nan 8.250 nan 0.000 0.439 323 N N 0.451 119.140 118.700 -0.020 0.000 2.467 323 N HA 0.082 4.823 4.740 0.001 0.000 0.184 323 N C -0.279 175.179 175.510 -0.087 0.000 1.106 323 N CA 0.461 53.504 53.050 -0.011 0.000 0.892 323 N CB -0.139 38.403 38.487 0.091 0.000 0.969 323 N HN 0.353 nan 8.380 nan 0.000 0.454 324 R N 0.386 120.811 120.500 -0.125 0.000 3.267 324 R HA -0.160 4.181 4.340 0.001 0.000 0.254 324 R C -0.784 175.372 176.300 -0.240 0.000 0.993 324 R CA 0.502 56.510 56.100 -0.154 0.000 0.670 324 R CB -1.413 28.826 30.300 -0.101 0.000 1.125 324 R HN 0.095 nan 8.270 nan 0.000 0.434 325 R N 0.304 120.572 120.500 -0.386 0.000 2.686 325 R HA 0.472 4.812 4.340 0.001 0.000 0.286 325 R C -2.395 173.550 176.300 -0.592 0.000 0.969 325 R CA -2.426 53.325 56.100 -0.581 0.000 0.898 325 R CB 1.540 31.190 30.300 -1.083 0.000 1.183 325 R HN -0.046 nan 8.270 nan 0.000 0.456 326 P HA 0.320 nan 4.420 nan 0.000 0.277 326 P C -0.459 176.514 177.300 -0.545 0.000 1.240 326 P CA -0.366 62.478 63.100 -0.427 0.000 0.798 326 P CB 0.948 32.469 31.700 -0.297 0.000 0.979 327 L N 1.411 122.299 121.223 -0.560 0.000 2.334 327 L HA 0.595 4.935 4.340 0.001 0.000 0.276 327 L C -0.267 176.333 176.870 -0.449 0.000 1.014 327 L CA -1.084 53.334 54.840 -0.703 0.000 0.815 327 L CB 2.098 43.311 42.059 -1.411 0.000 1.268 327 L HN 0.074 nan 8.230 nan 0.000 0.428 328 V N 1.003 120.759 119.914 -0.264 0.000 2.789 328 V HA 0.557 4.678 4.120 0.001 0.000 0.311 328 V C -0.463 175.737 176.094 0.178 0.000 1.073 328 V CA -0.425 61.885 62.300 0.016 0.000 0.921 328 V CB 2.381 34.112 31.823 -0.153 0.000 1.009 328 V HN 0.771 nan 8.190 nan 0.000 0.426 329 T N 1.911 116.661 114.554 0.328 0.000 2.881 329 T HA 0.407 4.758 4.350 0.001 0.000 0.291 329 T C 0.519 175.168 174.700 -0.084 0.000 0.990 329 T CA 0.069 62.245 62.100 0.127 0.000 0.976 329 T CB 1.483 70.407 68.868 0.094 0.000 0.970 329 T HN 0.948 nan 8.240 nan 0.000 0.438 330 T N -0.538 113.919 114.554 -0.161 0.000 3.003 330 T HA 0.321 4.672 4.350 0.001 0.000 0.261 330 T C 0.171 174.638 174.700 -0.388 0.000 1.003 330 T CA -0.241 61.742 62.100 -0.195 0.000 0.917 330 T CB 0.315 69.150 68.868 -0.055 0.000 1.084 330 T HN 0.510 nan 8.240 nan 0.000 0.522 331 E N 1.285 121.091 120.200 -0.657 0.000 2.220 331 E HA 0.566 4.917 4.350 0.001 0.000 0.256 331 E C -0.756 175.107 176.600 -1.229 0.000 0.881 331 E CA -0.885 55.053 56.400 -0.771 0.000 0.766 331 E CB 1.666 30.812 29.700 -0.922 0.000 1.187 331 E HN 0.627 nan 8.360 nan 0.000 0.419 332 C N -0.123 118.564 119.300 -1.023 0.000 3.037 332 C HA 0.410 4.870 4.460 0.001 0.000 0.335 332 C C -0.779 173.987 174.990 -0.373 0.000 1.333 332 C CA -0.930 57.386 59.018 -1.169 0.000 1.211 332 C CB 0.344 26.821 27.740 -2.106 0.000 1.377 332 C HN 1.016 nan 8.230 nan 0.000 0.451 333 W N -0.099 121.235 121.300 0.057 0.000 2.741 333 W HA 0.486 5.146 4.660 0.001 0.000 0.317 333 W C 1.510 178.102 176.519 0.123 0.000 1.029 333 W CA 0.680 58.022 57.345 -0.005 0.000 1.511 333 W CB 0.654 30.099 29.460 -0.026 0.000 1.025 333 W HN 1.123 nan 8.180 nan 0.000 0.554 334 G N 0.319 109.334 108.800 0.358 0.000 2.598 334 G HA2 0.278 4.239 3.960 0.001 0.000 0.225 334 G HA3 0.278 4.239 3.960 0.001 0.000 0.225 334 G C -0.405 174.502 174.900 0.012 0.000 1.631 334 G CA 0.207 45.361 45.100 0.091 0.000 0.821 334 G HN -0.169 nan 8.290 nan 0.000 0.610 335 L N 0.444 121.635 121.223 -0.053 0.000 2.334 335 L HA 0.452 4.792 4.340 0.001 0.000 0.275 335 L C 1.426 178.286 176.870 -0.017 0.000 1.036 335 L CA -0.227 54.537 54.840 -0.127 0.000 0.807 335 L CB 2.245 44.159 42.059 -0.242 0.000 1.231 335 L HN 0.061 nan 8.230 nan 0.000 0.438 336 V N -0.141 119.615 119.914 -0.264 0.000 2.323 336 V HA -0.039 4.082 4.120 0.001 0.000 0.244 336 V C -0.013 176.166 176.094 0.141 0.000 1.041 336 V CA 1.237 63.155 62.300 -0.637 0.000 1.025 336 V CB -0.349 31.104 31.823 -0.616 0.000 0.656 336 V HN 0.707 nan 8.190 nan 0.000 0.451 337 D N -1.555 118.955 120.400 0.183 0.000 2.375 337 D HA 0.622 5.262 4.640 0.001 0.000 0.247 337 D C -1.242 175.131 176.300 0.122 0.000 1.061 337 D CA -0.111 54.046 54.000 0.261 0.000 0.834 337 D CB 2.174 42.962 40.800 -0.019 0.000 1.247 337 D HN 0.151 nan 8.370 nan 0.000 0.489 338 Y N 0.752 120.948 120.300 -0.173 0.000 2.677 338 Y HA 0.364 4.914 4.550 0.001 0.000 0.334 338 Y C -1.239 174.353 175.900 -0.514 0.000 1.196 338 Y CA -0.771 56.981 58.100 -0.579 0.000 1.059 338 Y CB 1.696 39.345 38.460 -1.353 0.000 1.315 338 Y HN 0.398 nan 8.280 nan 0.000 0.455 339 K N 0.702 120.699 120.400 -0.670 0.000 2.607 339 K HA 0.394 4.715 4.320 0.001 0.000 0.287 339 K C -2.060 174.478 176.600 -0.103 0.000 0.996 339 K CA -1.079 55.107 56.287 -0.168 0.000 0.876 339 K CB 1.487 33.775 32.500 -0.352 0.000 1.496 339 K HN 0.357 nan 8.250 nan 0.000 0.415 340 D N 1.195 121.776 120.400 0.302 0.000 2.450 340 D HA 0.112 4.752 4.640 0.001 0.000 0.247 340 D C -0.764 175.694 176.300 0.264 0.000 1.162 340 D CA 0.729 54.925 54.000 0.326 0.000 0.879 340 D CB 0.313 41.265 40.800 0.253 0.000 1.163 340 D HN 0.373 nan 8.370 nan 0.000 0.472 341 W N 2.979 124.193 121.300 -0.144 0.000 3.298 341 W HA 0.127 4.787 4.660 0.001 0.000 0.302 341 W C -2.509 173.929 176.519 -0.135 0.000 1.255 341 W CA -1.533 55.691 57.345 -0.201 0.000 1.196 341 W CB 1.805 31.044 29.460 -0.368 0.000 1.364 341 W HN 0.161 nan 8.180 nan 0.000 0.566 342 P HA 0.110 nan 4.420 nan 0.000 0.264 342 P C 0.426 177.681 177.300 -0.074 0.000 1.193 342 P CA 0.826 63.786 63.100 -0.233 0.000 0.763 342 P CB 0.777 32.258 31.700 -0.366 0.000 0.810 343 L N -0.549 120.668 121.223 -0.009 0.000 4.937 343 L HA -0.225 4.116 4.340 0.001 0.000 0.422 343 L C 0.133 177.050 176.870 0.078 0.000 1.059 343 L CA 0.445 55.311 54.840 0.043 0.000 1.111 343 L CB -1.686 40.397 42.059 0.040 0.000 2.033 343 L HN 0.439 nan 8.230 nan 0.000 0.708 344 L N 1.319 122.564 121.223 0.037 0.000 2.255 344 L HA 0.352 4.692 4.340 0.001 0.000 0.289 344 L C 0.583 177.453 176.870 -0.000 0.000 1.046 344 L CA -0.116 54.691 54.840 -0.054 0.000 0.816 344 L CB 1.196 42.955 42.059 -0.500 0.000 1.197 344 L HN 0.035 nan 8.230 nan 0.000 0.427 345 K N 2.439 122.947 120.400 0.181 0.000 2.143 345 K HA 0.159 4.479 4.320 0.001 0.000 0.272 345 K C -0.170 176.469 176.600 0.065 0.000 1.001 345 K CA -0.255 56.156 56.287 0.207 0.000 0.915 345 K CB 1.520 34.204 32.500 0.307 0.000 1.047 345 K HN 0.459 nan 8.250 nan 0.000 0.458 346 W N 1.371 122.694 121.300 0.038 0.000 3.077 346 W HA -0.059 4.602 4.660 0.002 0.000 0.266 346 W C 1.525 177.871 176.519 -0.288 0.000 1.300 346 W CA 0.221 57.459 57.345 -0.177 0.000 1.586 346 W CB 0.138 29.517 29.460 -0.135 0.000 1.103 346 W HN 0.781 nan 8.180 nan 0.000 0.652 347 D N 0.733 121.189 120.400 0.095 0.000 2.092 347 D HA -0.285 4.356 4.640 0.001 0.000 0.193 347 D C 1.854 178.193 176.300 0.065 0.000 0.994 347 D CA 2.036 56.086 54.000 0.083 0.000 0.828 347 D CB -1.713 39.183 40.800 0.160 0.000 0.963 347 D HN 0.410 nan 8.370 nan 0.000 0.450 348 W N 1.297 122.592 121.300 -0.009 0.000 2.425 348 W HA 0.036 4.697 4.660 0.001 0.000 0.277 348 W C 1.559 177.922 176.519 -0.260 0.000 1.231 348 W CA 0.431 57.726 57.345 -0.084 0.000 1.248 348 W CB -1.038 28.389 29.460 -0.054 0.000 1.117 348 W HN -0.109 nan 8.180 nan 0.000 0.568 349 V N 2.232 121.539 119.914 -1.012 0.000 2.379 349 V HA -0.253 3.868 4.120 0.001 0.000 0.245 349 V C 2.613 178.525 176.094 -0.303 0.000 1.044 349 V CA 2.250 63.986 62.300 -0.940 0.000 1.036 349 V CB -0.829 30.226 31.823 -1.281 0.000 0.664 349 V HN 0.046 nan 8.190 nan 0.000 0.453 350 K N -0.101 120.193 120.400 -0.178 0.000 2.097 350 K HA -0.180 4.140 4.320 0.001 0.000 0.206 350 K C 1.906 178.664 176.600 0.262 0.000 1.049 350 K CA 1.629 57.915 56.287 -0.000 0.000 0.933 350 K CB -0.289 31.991 32.500 -0.366 0.000 0.717 350 K HN 0.420 nan 8.250 nan 0.000 0.442 351 D N 1.075 121.565 120.400 0.151 0.000 2.104 351 D HA -0.159 4.482 4.640 0.001 0.000 0.194 351 D C 1.877 178.265 176.300 0.147 0.000 0.994 351 D CA 1.111 55.227 54.000 0.193 0.000 0.830 351 D CB -0.177 40.750 40.800 0.212 0.000 0.959 351 D HN 0.115 nan 8.370 nan 0.000 0.452 352 L N 0.020 121.280 121.223 0.062 0.000 2.093 352 L HA -0.149 4.192 4.340 0.001 0.000 0.208 352 L C 2.596 179.533 176.870 0.112 0.000 1.085 352 L CA 0.641 55.511 54.840 0.050 0.000 0.755 352 L CB -0.175 41.843 42.059 -0.069 0.000 0.904 352 L HN 0.130 nan 8.230 nan 0.000 0.435 353 C N -0.521 118.907 119.300 0.213 0.000 2.446 353 C HA -0.148 4.312 4.460 0.001 0.000 0.277 353 C C 2.752 177.862 174.990 0.200 0.000 1.275 353 C CA 0.796 60.039 59.018 0.376 0.000 1.727 353 C CB -0.547 27.522 27.740 0.548 0.000 2.010 353 C HN 0.552 nan 8.230 nan 0.000 0.486 354 E N 0.607 120.923 120.200 0.193 0.000 2.051 354 E HA -0.240 4.111 4.350 0.001 0.000 0.192 354 E C 2.062 178.565 176.600 -0.162 0.000 0.991 354 E CA 1.174 57.540 56.400 -0.056 0.000 0.799 354 E CB -0.214 29.494 29.700 0.013 0.000 0.748 354 E HN 0.483 nan 8.360 nan 0.000 0.449 355 L N 0.707 121.868 121.223 -0.103 0.000 2.012 355 L HA -0.063 4.277 4.340 0.001 0.000 0.210 355 L C 2.260 178.909 176.870 -0.369 0.000 1.073 355 L CA 2.543 57.285 54.840 -0.164 0.000 0.748 355 L CB -1.056 40.966 42.059 -0.061 0.000 0.891 355 L HN 0.224 nan 8.230 nan 0.000 0.431 356 G N -1.791 106.696 108.800 -0.522 0.000 2.446 356 G HA2 -0.287 3.674 3.960 0.001 0.000 0.217 356 G HA3 -0.287 3.674 3.960 0.001 0.000 0.217 356 G C 1.427 175.341 174.900 -1.643 0.000 1.168 356 G CA 1.340 45.713 45.100 -1.213 0.000 0.771 356 G HN 0.455 nan 8.290 nan 0.000 0.551 357 T N 1.385 115.265 114.554 -1.123 0.000 2.652 357 T HA -0.091 4.259 4.350 0.001 0.000 0.267 357 T C 2.401 176.805 174.700 -0.493 0.000 1.039 357 T CA 1.238 62.979 62.100 -0.600 0.000 1.153 357 T CB -0.226 68.516 68.868 -0.210 0.000 0.863 357 T HN 0.240 nan 8.240 nan 0.000 0.428 358 I N 1.136 121.467 120.570 -0.398 0.000 2.286 358 I HA -0.188 3.983 4.170 0.001 0.000 0.248 358 I C 2.685 178.619 176.117 -0.305 0.000 1.115 358 I CA 1.134 62.257 61.300 -0.294 0.000 1.392 358 I CB -0.644 37.220 38.000 -0.227 0.000 1.065 358 I HN 0.287 nan 8.210 nan 0.000 0.418 359 T N 0.691 115.012 114.554 -0.389 0.000 2.737 359 T HA -0.132 4.219 4.350 0.001 0.000 0.265 359 T C 2.088 176.555 174.700 -0.388 0.000 1.038 359 T CA 1.428 63.323 62.100 -0.342 0.000 1.144 359 T CB -0.326 68.329 68.868 -0.354 0.000 0.866 359 T HN 0.468 nan 8.240 nan 0.000 0.434 360 A N 1.602 124.020 122.820 -0.671 0.000 1.877 360 A HA 0.167 4.487 4.320 0.001 0.000 0.216 360 A C 2.674 180.021 177.584 -0.395 0.000 1.186 360 A CA 1.848 53.361 52.037 -0.873 0.000 0.620 360 A CB -1.212 16.881 19.000 -1.511 0.000 0.822 360 A HN 0.500 nan 8.150 nan 0.000 0.443 361 A N -0.361 122.270 122.820 -0.315 0.000 1.940 361 A HA -0.180 4.141 4.320 0.001 0.000 0.219 361 A C 2.168 179.716 177.584 -0.059 0.000 1.176 361 A CA 2.185 54.146 52.037 -0.127 0.000 0.631 361 A CB -0.420 18.497 19.000 -0.137 0.000 0.814 361 A HN 0.456 nan 8.150 nan 0.000 0.446 362 R N 0.370 120.814 120.500 -0.093 0.000 2.148 362 R HA -0.083 4.258 4.340 0.001 0.000 0.227 362 R C 2.141 178.440 176.300 -0.003 0.000 1.103 362 R CA 2.156 58.224 56.100 -0.053 0.000 0.983 362 R CB -1.211 29.043 30.300 -0.076 0.000 0.874 362 R HN 0.607 nan 8.270 nan 0.000 0.451 363 T N -3.133 111.446 114.554 0.042 0.000 2.962 363 T HA 0.175 4.526 4.350 0.001 0.000 0.270 363 T C 1.055 175.810 174.700 0.092 0.000 1.088 363 T CA 0.612 62.770 62.100 0.098 0.000 1.127 363 T CB -0.548 68.454 68.868 0.223 0.000 0.883 363 T HN 0.510 nan 8.240 nan 0.000 0.493 367 V N 0.717 120.690 119.914 0.099 0.000 3.565 367 V HA 0.525 4.646 4.120 0.001 0.000 0.260 367 V C 0.484 176.630 176.094 0.087 0.000 1.231 367 V CA 1.132 63.461 62.300 0.048 0.000 1.100 367 V CB 0.788 32.588 31.823 -0.038 0.000 0.807 367 V HN 0.495 nan 8.190 nan 0.000 0.454 368 G N 0.250 109.143 108.800 0.156 0.000 2.744 368 G HA2 0.604 4.565 3.960 0.001 0.000 0.286 368 G HA3 0.604 4.565 3.960 0.001 0.000 0.286 368 G C -1.474 173.584 174.900 0.264 0.000 1.497 368 G CA -0.327 44.874 45.100 0.168 0.000 1.070 368 G HN 0.207 nan 8.290 nan 0.000 0.539 369 V N 1.405 121.441 119.914 0.203 0.000 2.531 369 V HA 0.807 4.928 4.120 0.001 0.000 0.301 369 V C 0.417 176.625 176.094 0.191 0.000 1.034 369 V CA -0.825 61.588 62.300 0.189 0.000 0.865 369 V CB 1.384 33.272 31.823 0.109 0.000 0.995 369 V HN 1.101 nan 8.190 nan 0.000 0.424 370 A N 2.718 125.633 122.820 0.158 0.000 2.306 370 A HA 0.689 5.010 4.320 0.001 0.000 0.330 370 A C 1.106 178.867 177.584 0.296 0.000 1.146 370 A CA 0.248 52.386 52.037 0.169 0.000 0.827 370 A CB 1.254 20.246 19.000 -0.014 0.000 1.178 370 A HN 1.025 nan 8.150 nan 0.000 0.490 371 T N -1.712 113.077 114.554 0.392 0.000 3.035 371 T HA 0.312 4.663 4.350 0.001 0.000 0.259 371 T C 0.705 175.682 174.700 0.461 0.000 1.078 371 T CA 0.976 63.366 62.100 0.483 0.000 1.132 371 T CB -0.483 68.703 68.868 0.530 0.000 0.900 371 T HN 1.911 nan 8.240 nan 0.000 0.480 372 S N 1.119 116.976 115.700 0.261 0.000 2.627 372 S HA 0.273 4.743 4.470 0.001 0.000 0.268 372 S C -0.676 173.882 174.600 -0.070 0.000 1.130 372 S CA -0.593 57.664 58.200 0.095 0.000 0.819 372 S CB 0.444 63.830 63.200 0.310 0.000 1.100 372 S HN 0.299 nan 8.310 nan 0.000 0.465 373 N N 0.069 118.579 118.700 -0.315 0.000 2.362 373 N HA 0.139 4.880 4.740 0.001 0.000 0.211 373 N C -0.478 174.767 175.510 -0.442 0.000 1.170 373 N CA -0.042 52.799 53.050 -0.348 0.000 0.828 373 N CB -0.685 37.619 38.487 -0.304 0.000 1.034 373 N HN 0.541 nan 8.380 nan 0.000 0.475 374 F N -0.399 119.618 119.950 0.111 0.000 2.764 374 F HA 0.292 4.819 4.527 0.001 0.000 0.310 374 F C 0.676 176.574 175.800 0.164 0.000 1.124 374 F CA -1.269 56.577 58.000 -0.257 0.000 1.252 374 F CB -0.345 38.469 39.000 -0.309 0.000 1.010 374 F HN 0.062 nan 8.300 nan 0.000 0.518 375 C N 2.288 121.814 119.300 0.377 0.000 2.861 375 C HA 0.767 5.227 4.460 0.001 0.000 0.542 375 C C 0.865 176.158 174.990 0.504 0.000 1.074 375 C CA 0.057 59.347 59.018 0.454 0.000 1.232 375 C CB -2.125 25.759 27.740 0.240 0.000 1.433 375 C HN 0.630 nan 8.230 nan 0.000 0.606 376 G N 3.130 112.104 108.800 0.291 0.000 2.660 376 G HA2 0.487 4.447 3.960 0.001 0.000 0.290 376 G HA3 0.487 4.447 3.960 0.001 0.000 0.290 376 G C -2.394 171.902 174.900 -1.005 0.000 1.432 376 G CA -0.476 44.377 45.100 -0.411 0.000 0.807 376 G HN 0.047 nan 8.290 nan 0.000 0.485 377 P HA -0.084 nan 4.420 nan 0.000 0.226 377 P C 1.309 178.137 177.300 -0.786 0.000 1.153 377 P CA 0.880 63.101 63.100 -1.466 0.000 0.777 377 P CB 0.345 31.246 31.700 -1.333 0.000 0.794 378 Q N -0.505 118.861 119.800 -0.724 0.000 2.451 378 Q HA -0.023 4.318 4.340 0.001 0.000 0.206 378 Q C -0.230 175.358 176.000 -0.686 0.000 0.947 378 Q CA 0.545 55.958 55.803 -0.650 0.000 0.937 378 Q CB -0.554 27.777 28.738 -0.678 0.000 1.025 378 Q HN 0.222 nan 8.270 nan 0.000 0.511 379 F N 1.157 120.996 119.950 -0.185 0.000 2.334 379 F HA 0.538 5.066 4.527 0.001 0.000 0.343 379 F C 1.283 176.939 175.800 -0.240 0.000 1.136 379 F CA -0.597 57.321 58.000 -0.137 0.000 1.237 379 F CB 0.705 39.679 39.000 -0.042 0.000 1.525 379 F HN 0.043 nan 8.300 nan 0.000 0.528 380 A N 1.688 124.465 122.820 -0.072 0.000 1.948 380 A HA 0.002 4.323 4.320 0.001 0.000 0.220 380 A C 1.946 179.418 177.584 -0.187 0.000 1.177 380 A CA 1.419 53.422 52.037 -0.057 0.000 0.636 380 A CB -1.054 17.928 19.000 -0.031 0.000 0.815 380 A HN 0.646 nan 8.150 nan 0.000 0.449 384 R N 0.951 121.510 120.500 0.098 0.000 2.092 384 R HA -0.065 4.276 4.340 0.001 0.000 0.231 384 R C 0.481 176.784 176.300 0.005 0.000 1.119 384 R CA 1.592 57.699 56.100 0.012 0.000 0.970 384 R CB -0.882 29.417 30.300 -0.002 0.000 0.864 384 R HN -0.151 nan 8.270 nan 0.000 0.440 385 D N 1.688 122.105 120.400 0.027 0.000 2.455 385 D HA 0.044 4.685 4.640 0.001 0.000 0.234 385 D C 1.041 177.459 176.300 0.197 0.000 1.224 385 D CA -0.167 53.867 54.000 0.057 0.000 0.999 385 D CB 1.171 41.947 40.800 -0.040 0.000 1.072 385 D HN -0.013 nan 8.370 nan 0.000 0.514 386 V N 3.584 123.569 119.914 0.119 0.000 2.392 386 V HA -0.211 3.910 4.120 0.001 0.000 0.249 386 V C 2.223 178.408 176.094 0.151 0.000 1.059 386 V CA 1.450 63.817 62.300 0.111 0.000 1.051 386 V CB -0.247 31.572 31.823 -0.006 0.000 0.658 386 V HN 0.471 nan 8.190 nan 0.000 0.455 387 E N -1.203 119.069 120.200 0.120 0.000 2.106 387 E HA -0.244 4.107 4.350 0.001 0.000 0.192 387 E C 1.771 178.448 176.600 0.129 0.000 0.984 387 E CA 1.286 57.743 56.400 0.094 0.000 0.806 387 E CB -0.384 29.356 29.700 0.066 0.000 0.750 387 E HN 0.832 nan 8.360 nan 0.000 0.458 388 W N 1.811 123.086 121.300 -0.041 0.000 2.338 388 W HA -0.205 4.456 4.660 0.001 0.000 0.304 388 W C 2.216 178.657 176.519 -0.129 0.000 1.212 388 W CA 1.818 59.102 57.345 -0.102 0.000 1.264 388 W CB -0.154 29.207 29.460 -0.165 0.000 1.142 388 W HN 0.174 nan 8.180 nan 0.000 0.512 389 H N 0.138 119.410 119.070 0.336 0.000 2.299 389 H HA -0.095 4.461 4.556 0.001 0.000 0.302 389 H C 2.080 177.331 175.328 -0.129 0.000 1.078 389 H CA 1.935 58.067 56.048 0.141 0.000 1.323 389 H CB -0.522 29.390 29.762 0.250 0.000 1.381 389 H HN 0.206 nan 8.280 nan 0.000 0.498 390 K N 0.754 121.175 120.400 0.035 0.000 2.063 390 K HA -0.138 4.183 4.320 0.001 0.000 0.208 390 K C 2.440 178.966 176.600 -0.123 0.000 1.048 390 K CA 1.065 57.310 56.287 -0.070 0.000 0.928 390 K CB -0.017 32.460 32.500 -0.037 0.000 0.713 390 K HN 0.208 nan 8.250 nan 0.000 0.442 391 R N 0.596 121.015 120.500 -0.135 0.000 2.081 391 R HA -0.097 4.244 4.340 0.001 0.000 0.235 391 R C 2.369 178.529 176.300 -0.235 0.000 1.131 391 R CA 1.272 57.268 56.100 -0.172 0.000 0.960 391 R CB -0.376 29.814 30.300 -0.183 0.000 0.856 391 R HN 0.180 nan 8.270 nan 0.000 0.436 392 L N 0.096 121.118 121.223 -0.334 0.000 2.072 392 L HA -0.119 4.222 4.340 0.001 0.000 0.205 392 L C 2.737 179.456 176.870 -0.251 0.000 1.079 392 L CA 1.587 56.221 54.840 -0.344 0.000 0.752 392 L CB -0.769 40.984 42.059 -0.509 0.000 0.906 392 L HN 0.378 nan 8.230 nan 0.000 0.436 393 T N -4.282 110.104 114.554 -0.279 0.000 2.867 393 T HA -0.117 4.234 4.350 0.001 0.000 0.268 393 T C 2.009 176.591 174.700 -0.197 0.000 1.057 393 T CA 1.368 63.291 62.100 -0.296 0.000 1.136 393 T CB -0.293 68.275 68.868 -0.499 0.000 0.874 393 T HN 0.142 nan 8.240 nan 0.000 0.466 394 S N 1.464 117.061 115.700 -0.172 0.000 2.368 394 S HA 0.075 4.546 4.470 0.001 0.000 0.225 394 S C 1.941 176.473 174.600 -0.114 0.000 1.030 394 S CA 1.176 59.300 58.200 -0.127 0.000 0.999 394 S CB -0.490 62.644 63.200 -0.110 0.000 0.844 394 S HN 0.496 nan 8.310 nan 0.000 0.459 395 I N 1.147 121.638 120.570 -0.131 0.000 2.226 395 I HA -0.194 3.976 4.170 0.001 0.000 0.245 395 I C 2.023 178.080 176.117 -0.099 0.000 1.100 395 I CA 1.174 62.404 61.300 -0.117 0.000 1.374 395 I CB -0.342 37.572 38.000 -0.143 0.000 1.057 395 I HN 0.245 nan 8.210 nan 0.000 0.413 396 I N 0.328 120.836 120.570 -0.104 0.000 2.142 396 I HA -0.286 3.884 4.170 0.001 0.000 0.240 396 I C 2.481 178.569 176.117 -0.049 0.000 1.078 396 I CA 1.539 62.798 61.300 -0.068 0.000 1.343 396 I CB -0.327 37.641 38.000 -0.054 0.000 1.046 396 I HN 0.109 nan 8.210 nan 0.000 0.405 397 R N 0.288 120.749 120.500 -0.065 0.000 2.280 397 R HA -0.039 4.301 4.340 0.001 0.000 0.207 397 R C 1.801 178.074 176.300 -0.045 0.000 1.043 397 R CA 1.242 57.312 56.100 -0.051 0.000 1.006 397 R CB -0.161 30.100 30.300 -0.065 0.000 0.885 397 R HN 0.429 nan 8.270 nan 0.000 0.467 398 S N -1.248 114.422 115.700 -0.051 0.000 2.554 398 S HA 0.179 4.650 4.470 0.001 0.000 0.226 398 S C 0.257 174.834 174.600 -0.039 0.000 0.980 398 S CA -0.665 57.508 58.200 -0.045 0.000 0.939 398 S CB 0.672 63.842 63.200 -0.051 0.000 0.832 398 S HN -0.111 nan 8.310 nan 0.000 0.486 399 S N 5.154 120.833 115.700 -0.035 0.000 2.505 399 S HA 0.391 4.862 4.470 0.001 0.000 0.276 399 S C -2.310 172.282 174.600 -0.014 0.000 1.274 399 S CA -0.796 57.388 58.200 -0.026 0.000 1.053 399 S CB 0.545 63.731 63.200 -0.022 0.000 0.919 399 S HN 0.442 nan 8.310 nan 0.000 0.490 400 P HA 0.198 nan 4.420 nan 0.000 0.271 400 P C -0.695 176.603 177.300 -0.005 0.000 1.218 400 P CA -0.370 62.722 63.100 -0.013 0.000 0.780 400 P CB 0.518 32.208 31.700 -0.016 0.000 0.901 401 L N 1.746 122.964 121.223 -0.009 0.000 2.375 401 L HA 0.264 4.604 4.340 0.001 0.000 0.271 401 L C 1.213 178.071 176.870 -0.019 0.000 1.107 401 L CA -0.525 54.308 54.840 -0.011 0.000 0.806 401 L CB 0.359 42.405 42.059 -0.023 0.000 1.146 401 L HN 0.407 nan 8.230 nan 0.000 0.447 402 D N 1.615 122.001 120.400 -0.023 0.000 2.399 402 D HA -0.071 4.570 4.640 0.001 0.000 0.241 402 D C 0.924 177.200 176.300 -0.039 0.000 1.133 402 D CA -0.018 53.964 54.000 -0.030 0.000 0.890 402 D CB 1.265 42.044 40.800 -0.036 0.000 1.201 402 D HN 0.744 nan 8.370 nan 0.000 0.432 403 E N 0.961 121.141 120.200 -0.035 0.000 2.268 403 E HA -0.182 4.168 4.350 0.001 0.000 0.195 403 E C 1.430 178.003 176.600 -0.044 0.000 0.995 403 E CA 1.028 57.406 56.400 -0.036 0.000 0.836 403 E CB -0.077 29.606 29.700 -0.029 0.000 0.763 403 E HN 0.364 nan 8.360 nan 0.000 0.491 404 S N 0.715 116.385 115.700 -0.051 0.000 2.442 404 S HA -0.099 4.372 4.470 0.001 0.000 0.236 404 S C 1.875 176.427 174.600 -0.080 0.000 1.007 404 S CA 0.905 59.067 58.200 -0.063 0.000 0.965 404 S CB -0.336 62.821 63.200 -0.072 0.000 0.773 404 S HN 0.369 nan 8.310 nan 0.000 0.504 405 L N 1.075 122.249 121.223 -0.082 0.000 2.316 405 L HA 0.109 4.450 4.340 0.001 0.000 0.207 405 L C 2.844 179.671 176.870 -0.072 0.000 1.070 405 L CA 1.187 55.971 54.840 -0.093 0.000 0.820 405 L CB -0.712 41.285 42.059 -0.104 0.000 0.992 405 L HN 0.505 nan 8.230 nan 0.000 0.466 406 T N -3.806 110.714 114.554 -0.057 0.000 3.057 406 T HA 0.054 4.404 4.350 0.001 0.000 0.254 406 T C 0.651 175.327 174.700 -0.040 0.000 1.094 406 T CA 0.048 62.120 62.100 -0.046 0.000 1.088 406 T CB 0.063 68.908 68.868 -0.039 0.000 0.934 406 T HN -0.098 nan 8.240 nan 0.000 0.497 407 K N 2.125 122.501 120.400 -0.040 0.000 2.345 407 K HA 0.482 4.802 4.320 0.001 0.000 0.255 407 K C -0.540 176.039 176.600 -0.035 0.000 0.934 407 K CA -0.843 55.424 56.287 -0.034 0.000 0.801 407 K CB 1.087 33.570 32.500 -0.029 0.000 1.137 407 K HN 0.391 nan 8.250 nan 0.000 0.424 408 N N 2.132 120.814 118.700 -0.031 0.000 2.688 408 N HA -0.204 4.537 4.740 0.001 0.000 0.258 408 N C -0.840 174.648 175.510 -0.035 0.000 1.016 408 N CA 0.671 53.704 53.050 -0.029 0.000 0.747 408 N CB -0.806 37.667 38.487 -0.025 0.000 0.895 408 N HN 0.674 nan 8.380 nan 0.000 0.543 409 N N -0.140 118.536 118.700 -0.041 0.000 2.685 409 N HA 0.098 4.839 4.740 0.001 0.000 0.252 409 N C 0.478 175.959 175.510 -0.049 0.000 1.261 409 N CA -0.173 52.846 53.050 -0.051 0.000 0.768 409 N CB 0.898 39.345 38.487 -0.068 0.000 1.304 409 N HN 0.054 nan 8.380 nan 0.000 0.536 410 E N 0.285 120.462 120.200 -0.038 0.000 2.106 410 E HA -0.065 4.286 4.350 0.001 0.000 0.192 410 E C 1.849 178.426 176.600 -0.039 0.000 0.984 410 E CA 1.239 57.620 56.400 -0.032 0.000 0.806 410 E CB -0.002 29.687 29.700 -0.019 0.000 0.750 410 E HN 0.482 nan 8.360 nan 0.000 0.458 411 V N 1.078 120.964 119.914 -0.046 0.000 2.261 411 V HA -0.234 3.887 4.120 0.001 0.000 0.246 411 V C 2.634 178.678 176.094 -0.082 0.000 1.047 411 V CA 1.897 64.164 62.300 -0.055 0.000 1.015 411 V CB -1.079 30.708 31.823 -0.060 0.000 0.642 411 V HN 0.527 nan 8.190 nan 0.000 0.446 412 A N -0.006 122.754 122.820 -0.101 0.000 1.972 412 A HA -0.082 4.238 4.320 0.001 0.000 0.219 412 A C 2.388 179.916 177.584 -0.093 0.000 1.169 412 A CA 1.877 53.843 52.037 -0.120 0.000 0.635 412 A CB -0.739 18.183 19.000 -0.130 0.000 0.810 412 A HN 0.597 nan 8.150 nan 0.000 0.446 413 A N -0.103 122.674 122.820 -0.071 0.000 2.024 413 A HA -0.169 4.152 4.320 0.001 0.000 0.220 413 A C 2.042 179.592 177.584 -0.056 0.000 1.164 413 A CA 1.744 53.747 52.037 -0.057 0.000 0.643 413 A CB -0.401 18.573 19.000 -0.043 0.000 0.806 413 A HN 0.583 nan 8.150 nan 0.000 0.451 414 K N -1.076 119.288 120.400 -0.060 0.000 2.057 414 K HA -0.129 4.191 4.320 0.001 0.000 0.207 414 K C 1.885 178.439 176.600 -0.076 0.000 1.049 414 K CA 1.459 57.709 56.287 -0.062 0.000 0.931 414 K CB -0.308 32.154 32.500 -0.062 0.000 0.714 414 K HN 0.428 nan 8.250 nan 0.000 0.440 415 L N 0.829 122.000 121.223 -0.088 0.000 2.095 415 L HA -0.050 4.290 4.340 0.001 0.000 0.204 415 L C 1.820 178.650 176.870 -0.066 0.000 1.080 415 L CA 1.329 56.119 54.840 -0.084 0.000 0.759 415 L CB -0.375 41.620 42.059 -0.107 0.000 0.914 415 L HN -0.010 nan 8.230 nan 0.000 0.439 416 L N -0.027 121.156 121.223 -0.067 0.000 2.079 416 L HA -0.210 4.131 4.340 0.001 0.000 0.210 416 L C 2.434 179.277 176.870 -0.045 0.000 1.081 416 L CA 1.659 56.467 54.840 -0.054 0.000 0.752 416 L CB -1.008 41.018 42.059 -0.055 0.000 0.896 416 L HN 0.260 nan 8.230 nan 0.000 0.433 417 K N -0.749 119.624 120.400 -0.045 0.000 2.362 417 K HA -0.083 4.237 4.320 0.001 0.000 0.200 417 K C 1.918 178.494 176.600 -0.040 0.000 1.046 417 K CA 0.811 57.074 56.287 -0.039 0.000 0.952 417 K CB -0.049 32.429 32.500 -0.037 0.000 0.753 417 K HN 0.343 nan 8.250 nan 0.000 0.466 418 R N 0.179 120.652 120.500 -0.046 0.000 2.280 418 R HA 0.160 4.501 4.340 0.001 0.000 0.195 418 R C 0.748 177.023 176.300 -0.042 0.000 0.935 418 R CA -0.099 55.972 56.100 -0.048 0.000 1.033 418 R CB 0.039 30.303 30.300 -0.059 0.000 0.964 418 R HN 0.044 nan 8.270 nan 0.000 0.489 419 L N 0.000 121.202 121.223 -0.035 0.000 2.949 419 L HA 0.000 4.341 4.340 0.001 0.000 0.249 419 L CA 0.000 54.823 54.840 -0.028 0.000 0.813 419 L CB 0.000 42.045 42.059 -0.023 0.000 0.961 419 L HN 0.000 nan 8.230 nan 0.000 0.502