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 2aum_1_B DATA FIRST_RESID 7 DATA SEQUENCE SDQTWQPIDG RVALIAPASA IATEVLEATL RQLEVHGVDY HLGRHVEARY DATA SEQUENCE RYLAGTVEQR LEDLHNAFDM PDITAVWCLR GGYGCGQLLP GLDWGRLEAA DATA SEQUENCE SPRPLIGFAD ISVLLSAFHR HGLPAIHGPV ATGLGLXXXX XXXEQQERLA DATA SEQUENCE SLASVSRLLA GIDHELPVQH LGGHKQRVEG ALIGGNLTAL ACMAGTLGGL DATA SEQUENCE HAPAGSILVL EDVGEPYYRL ERSLWQLLES IDARQLGAIC LGSFTDCPRK DATA SEQUENCE EVAHSLERIF GEYAAAIEVP LYHHLPSGHG AQNRAWPYGK TAVLEGNRLR DATA SEQUENCE W 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 7 S HA 0.000 nan 4.470 nan 0.000 0.327 7 S C 0.000 174.618 174.600 0.030 0.000 1.055 7 S CA 0.000 58.216 58.200 0.027 0.000 1.107 7 S CB 0.000 63.223 63.200 0.038 0.000 0.593 8 D N 2.445 122.858 120.400 0.022 0.000 2.349 8 D HA 0.083 4.724 4.640 0.000 0.000 0.215 8 D C 1.111 177.433 176.300 0.038 0.000 1.016 8 D CA 0.624 54.632 54.000 0.014 0.000 0.870 8 D CB 0.044 40.842 40.800 -0.004 0.000 0.917 8 D HN 0.475 nan 8.370 nan 0.000 0.524 9 Q N -0.279 119.567 119.800 0.076 0.000 2.425 9 Q HA 0.169 4.509 4.340 0.000 0.000 0.204 9 Q C -0.097 176.043 176.000 0.233 0.000 0.933 9 Q CA 0.452 56.339 55.803 0.139 0.000 0.939 9 Q CB 0.506 29.323 28.738 0.133 0.000 1.044 9 Q HN 0.105 nan 8.270 nan 0.000 0.513 10 T N 1.190 115.850 114.554 0.177 0.000 2.729 10 T HA 0.112 4.462 4.350 0.000 0.000 0.296 10 T C -0.677 174.178 174.700 0.258 0.000 0.928 10 T CA -0.465 61.770 62.100 0.225 0.000 1.045 10 T CB 0.160 69.111 68.868 0.138 0.000 0.902 10 T HN 0.146 nan 8.240 nan 0.000 0.500 11 W N 2.593 123.903 121.300 0.017 0.000 2.150 11 W HA 0.281 4.941 4.660 -0.000 0.000 0.341 11 W C 0.737 177.262 176.519 0.011 0.000 1.276 11 W CA -0.631 56.698 57.345 -0.026 0.000 1.238 11 W CB 0.281 29.677 29.460 -0.106 0.000 1.128 11 W HN 0.379 nan 8.180 nan 0.000 0.581 12 Q N 2.302 122.204 119.800 0.171 0.000 2.222 12 Q HA 0.338 4.678 4.340 0.000 0.000 0.252 12 Q C -2.003 174.102 176.000 0.174 0.000 0.926 12 Q CA -2.136 53.745 55.803 0.131 0.000 0.899 12 Q CB 0.376 29.146 28.738 0.055 0.000 1.250 12 Q HN 0.054 nan 8.270 nan 0.000 0.441 13 P HA 0.093 nan 4.420 nan 0.000 0.266 13 P C -0.453 176.920 177.300 0.122 0.000 1.195 13 P CA 0.316 63.504 63.100 0.146 0.000 0.768 13 P CB 0.412 32.174 31.700 0.103 0.000 0.838 14 I N 2.931 123.587 120.570 0.143 0.000 2.304 14 I HA 0.151 4.321 4.170 0.000 0.000 0.291 14 I C 0.325 176.492 176.117 0.084 0.000 1.018 14 I CA -0.626 60.737 61.300 0.105 0.000 1.260 14 I CB 0.624 38.707 38.000 0.138 0.000 1.390 14 I HN 0.160 nan 8.210 nan 0.000 0.475 15 D N 5.877 126.311 120.400 0.055 0.000 2.424 15 D HA 0.329 4.969 4.640 0.000 0.000 0.244 15 D C 0.802 177.126 176.300 0.040 0.000 1.134 15 D CA 0.920 54.946 54.000 0.043 0.000 0.881 15 D CB 1.234 42.052 40.800 0.031 0.000 1.191 15 D HN 0.848 nan 8.370 nan 0.000 0.445 16 G N 2.285 111.107 108.800 0.035 0.000 2.525 16 G HA2 -0.266 3.694 3.960 0.000 0.000 0.248 16 G HA3 -0.266 3.694 3.960 0.000 0.000 0.248 16 G C -0.176 174.751 174.900 0.044 0.000 1.238 16 G CA -0.147 44.970 45.100 0.028 0.000 0.926 16 G HN 0.696 nan 8.290 nan 0.000 0.574 17 R N -1.158 119.368 120.500 0.043 0.000 2.740 17 R HA 0.636 4.976 4.340 0.000 0.000 0.282 17 R C -0.757 175.603 176.300 0.100 0.000 0.969 17 R CA -0.725 55.417 56.100 0.070 0.000 0.918 17 R CB 1.982 32.307 30.300 0.041 0.000 1.175 17 R HN 0.587 nan 8.270 nan 0.000 0.464 18 V N 3.325 123.342 119.914 0.171 0.000 2.370 18 V HA 0.462 4.582 4.120 0.000 0.000 0.279 18 V C 0.079 176.304 176.094 0.218 0.000 1.029 18 V CA -0.748 61.672 62.300 0.200 0.000 0.870 18 V CB 1.255 33.258 31.823 0.301 0.000 0.984 18 V HN 0.914 nan 8.190 nan 0.000 0.451 19 A N 6.646 129.561 122.820 0.158 0.000 2.366 19 A HA 0.735 5.056 4.320 0.000 0.000 0.272 19 A C -0.468 177.188 177.584 0.120 0.000 1.135 19 A CA -0.298 51.833 52.037 0.156 0.000 0.804 19 A CB 0.113 19.178 19.000 0.109 0.000 1.064 19 A HN 0.821 nan 8.150 nan 0.000 0.499 20 L N 4.072 125.332 121.223 0.060 0.000 2.287 20 L HA 0.651 4.991 4.340 0.000 0.000 0.287 20 L C -0.121 176.725 176.870 -0.041 0.000 1.022 20 L CA -0.313 54.523 54.840 -0.007 0.000 0.814 20 L CB 0.985 42.986 42.059 -0.097 0.000 1.217 20 L HN 0.768 nan 8.230 nan 0.000 0.420 21 I N 0.137 120.693 120.570 -0.023 0.000 2.969 21 I HA 0.912 5.082 4.170 0.000 0.000 0.307 21 I C -0.599 175.495 176.117 -0.039 0.000 1.149 21 I CA -0.909 60.375 61.300 -0.027 0.000 1.008 21 I CB 2.504 40.506 38.000 0.002 0.000 1.232 21 I HN 0.521 nan 8.210 nan 0.000 0.435 22 A N 4.205 127.002 122.820 -0.038 0.000 2.842 22 A HA 0.625 4.945 4.320 0.000 0.000 0.339 22 A C -2.179 175.377 177.584 -0.047 0.000 1.177 22 A CA -1.206 50.804 52.037 -0.044 0.000 0.797 22 A CB -0.100 18.878 19.000 -0.037 0.000 1.094 22 A HN 0.685 nan 8.150 nan 0.000 0.474 23 P HA 0.206 nan 4.420 nan 0.000 0.255 23 P C 0.681 177.920 177.300 -0.102 0.000 1.248 23 P CA 1.153 64.203 63.100 -0.083 0.000 0.807 23 P CB 0.820 32.465 31.700 -0.092 0.000 1.150 24 A N -0.302 122.464 122.820 -0.091 0.000 2.751 24 A HA 0.535 4.855 4.320 0.000 0.000 0.201 24 A C 0.327 177.881 177.584 -0.050 0.000 1.619 24 A CA 0.036 52.007 52.037 -0.111 0.000 1.607 24 A CB -0.394 18.537 19.000 -0.114 0.000 1.580 24 A HN -0.015 nan 8.150 nan 0.000 0.499 25 S N 0.411 116.103 115.700 -0.014 0.000 2.601 25 S HA 0.556 5.026 4.470 0.000 0.000 0.271 25 S C 0.453 175.072 174.600 0.031 0.000 1.305 25 S CA -0.021 58.209 58.200 0.049 0.000 1.022 25 S CB 1.095 64.329 63.200 0.055 0.000 0.940 25 S HN 1.057 nan 8.310 nan 0.000 0.525 26 A N 2.613 125.468 122.820 0.058 0.000 2.466 26 A HA 0.401 4.721 4.320 0.000 0.000 0.238 26 A C -0.054 177.541 177.584 0.019 0.000 1.074 26 A CA -0.077 51.982 52.037 0.037 0.000 0.774 26 A CB -0.115 18.914 19.000 0.050 0.000 1.015 26 A HN 0.633 nan 8.150 nan 0.000 0.498 27 I N 0.840 121.411 120.570 0.002 0.000 2.441 27 I HA 0.454 4.624 4.170 0.000 0.000 0.295 27 I C 0.782 176.893 176.117 -0.010 0.000 0.994 27 I CA -0.513 60.779 61.300 -0.014 0.000 1.144 27 I CB 0.812 38.791 38.000 -0.035 0.000 1.314 27 I HN 0.723 nan 8.210 nan 0.000 0.445 28 A N 4.327 127.140 122.820 -0.011 0.000 2.440 28 A HA 0.343 4.664 4.320 0.000 0.000 0.251 28 A C 1.303 178.875 177.584 -0.020 0.000 1.089 28 A CA -0.054 51.977 52.037 -0.010 0.000 0.779 28 A CB 0.086 19.082 19.000 -0.007 0.000 1.022 28 A HN 0.862 nan 8.150 nan 0.000 0.492 29 T N 1.176 115.720 114.554 -0.016 0.000 2.684 29 T HA -0.197 4.153 4.350 0.000 0.000 0.267 29 T C 1.751 176.435 174.700 -0.027 0.000 1.036 29 T CA 2.057 64.145 62.100 -0.021 0.000 1.148 29 T CB -0.274 68.585 68.868 -0.014 0.000 0.863 29 T HN 0.933 nan 8.240 nan 0.000 0.436 30 E N 1.061 121.248 120.200 -0.022 0.000 2.150 30 E HA -0.082 4.268 4.350 0.000 0.000 0.193 30 E C 2.075 178.656 176.600 -0.032 0.000 0.985 30 E CA 0.962 57.348 56.400 -0.024 0.000 0.814 30 E CB -0.469 29.221 29.700 -0.016 0.000 0.752 30 E HN 0.328 nan 8.360 nan 0.000 0.466 31 V N 1.208 121.102 119.914 -0.034 0.000 2.453 31 V HA -0.192 3.928 4.120 0.000 0.000 0.247 31 V C 2.349 178.402 176.094 -0.068 0.000 1.048 31 V CA 1.306 63.579 62.300 -0.044 0.000 1.049 31 V CB -0.440 31.361 31.823 -0.037 0.000 0.672 31 V HN 0.231 nan 8.190 nan 0.000 0.457 32 L N 0.392 121.572 121.223 -0.071 0.000 1.994 32 L HA -0.134 4.207 4.340 0.000 0.000 0.208 32 L C 2.512 179.320 176.870 -0.103 0.000 1.071 32 L CA 1.998 56.779 54.840 -0.098 0.000 0.745 32 L CB -0.827 41.182 42.059 -0.085 0.000 0.892 32 L HN 0.244 nan 8.230 nan 0.000 0.431 33 E N 0.061 120.219 120.200 -0.071 0.000 2.110 33 E HA -0.178 4.172 4.350 0.000 0.000 0.193 33 E C 2.211 178.771 176.600 -0.066 0.000 0.988 33 E CA 1.343 57.706 56.400 -0.061 0.000 0.804 33 E CB -0.584 29.094 29.700 -0.037 0.000 0.745 33 E HN 0.641 nan 8.360 nan 0.000 0.458 34 A N 0.709 123.491 122.820 -0.062 0.000 1.930 34 A HA -0.136 4.184 4.320 0.000 0.000 0.217 34 A C 2.441 179.977 177.584 -0.080 0.000 1.175 34 A CA 1.913 53.914 52.037 -0.059 0.000 0.627 34 A CB -0.812 18.161 19.000 -0.045 0.000 0.815 34 A HN 0.234 nan 8.150 nan 0.000 0.443 35 T N 0.693 115.181 114.554 -0.111 0.000 2.684 35 T HA -0.115 4.235 4.350 0.000 0.000 0.267 35 T C 1.796 176.380 174.700 -0.194 0.000 1.036 35 T CA 1.562 63.566 62.100 -0.160 0.000 1.148 35 T CB -0.405 68.337 68.868 -0.211 0.000 0.863 35 T HN 0.390 nan 8.240 nan 0.000 0.436 36 L N 0.323 121.414 121.223 -0.219 0.000 2.083 36 L HA -0.070 4.270 4.340 0.000 0.000 0.209 36 L C 2.961 179.778 176.870 -0.088 0.000 1.083 36 L CA 1.017 55.696 54.840 -0.268 0.000 0.752 36 L CB -0.499 41.424 42.059 -0.228 0.000 0.899 36 L HN 0.080 nan 8.230 nan 0.000 0.433 37 R N -0.001 120.461 120.500 -0.062 0.000 2.081 37 R HA -0.115 4.225 4.340 0.000 0.000 0.235 37 R C 2.232 178.497 176.300 -0.058 0.000 1.131 37 R CA 0.986 57.064 56.100 -0.036 0.000 0.960 37 R CB -0.589 29.686 30.300 -0.041 0.000 0.856 37 R HN 0.416 nan 8.270 nan 0.000 0.436 38 Q N 0.643 120.400 119.800 -0.071 0.000 2.119 38 Q HA 0.004 4.344 4.340 0.000 0.000 0.201 38 Q C 2.384 178.354 176.000 -0.051 0.000 0.972 38 Q CA 0.942 56.698 55.803 -0.079 0.000 0.847 38 Q CB -0.303 28.418 28.738 -0.028 0.000 0.903 38 Q HN 0.343 nan 8.270 nan 0.000 0.433 39 L N 0.515 121.727 121.223 -0.019 0.000 2.079 39 L HA -0.213 4.127 4.340 0.000 0.000 0.210 39 L C 2.182 179.111 176.870 0.099 0.000 1.081 39 L CA 1.259 56.139 54.840 0.066 0.000 0.752 39 L CB -0.303 41.782 42.059 0.043 0.000 0.896 39 L HN 0.267 nan 8.230 nan 0.000 0.433 40 E N -0.614 119.638 120.200 0.086 0.000 2.106 40 E HA -0.178 4.172 4.350 0.000 0.000 0.192 40 E C 2.277 178.853 176.600 -0.040 0.000 0.984 40 E CA 0.994 57.436 56.400 0.070 0.000 0.806 40 E CB -0.058 29.690 29.700 0.080 0.000 0.750 40 E HN 0.210 nan 8.360 nan 0.000 0.458 41 V N 0.879 120.710 119.914 -0.139 0.000 2.324 41 V HA -0.286 3.834 4.120 0.000 0.000 0.250 41 V C 1.433 177.308 176.094 -0.364 0.000 1.060 41 V CA 2.126 64.255 62.300 -0.285 0.000 1.042 41 V CB -0.511 31.042 31.823 -0.449 0.000 0.650 41 V HN 0.351 nan 8.190 nan 0.000 0.450 42 H N -0.677 118.239 119.070 -0.256 0.000 2.533 42 H HA 0.338 4.894 4.556 0.000 0.000 0.271 42 H C 1.653 176.928 175.328 -0.089 0.000 1.000 42 H CA 0.501 56.366 56.048 -0.306 0.000 1.149 42 H CB -0.007 29.315 29.762 -0.733 0.000 1.375 42 H HN 0.511 nan 8.280 nan 0.000 0.582 43 G N 0.819 109.646 108.800 0.044 0.000 2.179 43 G HA2 -0.293 3.667 3.960 0.000 0.000 0.257 43 G HA3 -0.293 3.667 3.960 0.000 0.000 0.257 43 G C -0.016 174.957 174.900 0.122 0.000 1.010 43 G CA 0.373 45.513 45.100 0.068 0.000 0.736 43 G HN 0.243 nan 8.290 nan 0.000 0.513 44 V N 0.905 120.927 119.914 0.181 0.000 2.455 44 V HA 0.336 4.456 4.120 0.000 0.000 0.273 44 V C 0.486 176.714 176.094 0.223 0.000 1.045 44 V CA -0.567 61.879 62.300 0.244 0.000 0.976 44 V CB 1.537 33.574 31.823 0.356 0.000 0.993 44 V HN 0.355 nan 8.190 nan 0.000 0.475 45 D N 4.483 124.967 120.400 0.140 0.000 2.312 45 D HA 0.366 5.007 4.640 0.000 0.000 0.252 45 D C -0.624 175.747 176.300 0.117 0.000 1.150 45 D CA 0.095 54.113 54.000 0.030 0.000 0.870 45 D CB 0.687 41.488 40.800 0.002 0.000 1.153 45 D HN 0.527 nan 8.370 nan 0.000 0.457 46 Y N 0.325 120.676 120.300 0.085 0.000 2.605 46 Y HA 0.479 5.029 4.550 0.001 0.000 0.343 46 Y C -0.885 175.097 175.900 0.136 0.000 1.036 46 Y CA -1.210 56.952 58.100 0.103 0.000 1.065 46 Y CB 1.142 39.649 38.460 0.078 0.000 1.288 46 Y HN 0.367 nan 8.280 nan 0.000 0.481 47 H N 2.994 122.203 119.070 0.230 0.000 2.539 47 H HA 0.452 5.009 4.556 0.001 0.000 0.332 47 H C -1.783 173.667 175.328 0.203 0.000 1.031 47 H CA -0.930 55.208 56.048 0.150 0.000 1.206 47 H CB 1.729 31.533 29.762 0.069 0.000 1.446 47 H HN 0.785 nan 8.280 nan 0.000 0.496 48 L N 5.396 126.585 121.223 -0.058 0.000 2.265 48 L HA 0.340 4.680 4.340 0.000 0.000 0.288 48 L C 0.643 177.295 176.870 -0.363 0.000 1.058 48 L CA 0.039 54.807 54.840 -0.120 0.000 0.809 48 L CB 0.864 42.939 42.059 0.027 0.000 1.179 48 L HN 0.811 nan 8.230 nan 0.000 0.429 49 G N 4.233 112.864 108.800 -0.281 0.000 2.491 49 G HA2 0.098 4.058 3.960 0.000 0.000 0.238 49 G HA3 0.098 4.058 3.960 0.000 0.000 0.238 49 G C 0.780 175.574 174.900 -0.177 0.000 1.277 49 G CA -0.068 44.893 45.100 -0.232 0.000 0.851 49 G HN 0.938 nan 8.290 nan 0.000 0.573 50 R N 0.073 120.455 120.500 -0.196 0.000 2.235 50 R HA 0.009 4.349 4.340 0.000 0.000 0.213 50 R C 0.571 176.616 176.300 -0.424 0.000 1.059 50 R CA 1.279 57.198 56.100 -0.302 0.000 0.997 50 R CB -0.073 30.023 30.300 -0.339 0.000 0.884 50 R HN 0.655 nan 8.270 nan 0.000 0.462 51 H N 0.238 119.285 119.070 -0.039 0.000 2.528 51 H HA 0.117 4.673 4.556 0.000 0.000 0.282 51 H C 1.479 176.783 175.328 -0.040 0.000 1.097 51 H CA 0.097 56.124 56.048 -0.034 0.000 1.121 51 H CB 1.297 31.039 29.762 -0.033 0.000 1.590 51 H HN 0.129 nan 8.280 nan 0.000 0.553 52 V N -1.398 118.526 119.914 0.016 0.000 2.720 52 V HA -0.153 3.967 4.120 0.000 0.000 0.256 52 V C 1.240 177.332 176.094 -0.004 0.000 1.082 52 V CA 1.619 63.914 62.300 -0.008 0.000 1.101 52 V CB -0.046 31.745 31.823 -0.053 0.000 0.693 52 V HN 0.407 nan 8.190 nan 0.000 0.479 53 E N 1.057 121.259 120.200 0.003 0.000 2.463 53 E HA 0.459 4.809 4.350 0.000 0.000 0.193 53 E C 1.074 177.690 176.600 0.027 0.000 1.041 53 E CA 0.316 56.719 56.400 0.005 0.000 0.879 53 E CB 0.463 30.160 29.700 -0.005 0.000 0.997 53 E HN 0.753 nan 8.360 nan 0.000 0.478 54 A N 1.847 124.698 122.820 0.052 0.000 2.425 54 A HA 0.308 4.629 4.320 0.000 0.000 0.242 54 A C 0.108 177.722 177.584 0.050 0.000 1.077 54 A CA 0.172 52.246 52.037 0.062 0.000 0.781 54 A CB 0.367 19.415 19.000 0.079 0.000 1.020 54 A HN 0.112 nan 8.150 nan 0.000 0.494 55 R N -0.154 120.382 120.500 0.060 0.000 2.574 55 R HA 0.450 4.790 4.340 0.000 0.000 0.288 55 R C -2.136 174.233 176.300 0.115 0.000 1.004 55 R CA -0.459 55.678 56.100 0.061 0.000 0.895 55 R CB 1.998 32.316 30.300 0.030 0.000 1.191 55 R HN 0.727 nan 8.270 nan 0.000 0.444 56 Y N 4.716 124.974 120.300 -0.071 0.000 2.317 56 Y HA 0.163 4.714 4.550 0.001 0.000 0.329 56 Y C 0.348 176.138 175.900 -0.184 0.000 1.101 56 Y CA -0.619 57.419 58.100 -0.103 0.000 1.228 56 Y CB 0.416 38.821 38.460 -0.092 0.000 1.123 56 Y HN 0.836 nan 8.280 nan 0.000 0.457 57 R N 1.508 121.720 120.500 -0.480 0.000 3.682 57 R HA -0.405 3.935 4.340 0.000 0.000 0.519 57 R C -0.030 176.077 176.300 -0.321 0.000 0.241 57 R CA 2.380 58.178 56.100 -0.502 0.000 1.619 57 R CB -1.700 28.101 30.300 -0.831 0.000 0.923 57 R HN 0.698 nan 8.270 nan 0.000 0.598 58 Y N 0.699 121.002 120.300 0.005 0.000 2.529 58 Y HA 0.504 5.053 4.550 -0.000 0.000 0.290 58 Y C 1.062 176.993 175.900 0.053 0.000 1.177 58 Y CA -0.489 57.631 58.100 0.034 0.000 1.305 58 Y CB -0.168 38.321 38.460 0.049 0.000 1.047 58 Y HN 0.173 nan 8.280 nan 0.000 0.522 59 L N 1.022 122.319 121.223 0.122 0.000 2.418 59 L HA 0.529 4.869 4.340 0.000 0.000 0.265 59 L C 0.788 177.706 176.870 0.080 0.000 1.143 59 L CA -0.888 54.032 54.840 0.134 0.000 0.809 59 L CB 0.909 43.043 42.059 0.125 0.000 1.124 59 L HN 0.161 nan 8.230 nan 0.000 0.456 60 A N 2.519 125.365 122.820 0.043 0.000 3.063 60 A HA 0.534 4.854 4.320 0.000 0.000 0.263 60 A C 0.801 178.392 177.584 0.012 0.000 1.736 60 A CA 0.450 52.502 52.037 0.024 0.000 1.408 60 A CB -1.462 17.539 19.000 0.002 0.000 1.108 60 A HN 0.989 nan 8.150 nan 0.000 0.621 61 G N 0.333 109.156 108.800 0.038 0.000 2.757 61 G HA2 0.116 4.076 3.960 0.000 0.000 0.638 61 G HA3 0.116 4.076 3.960 0.000 0.000 0.638 61 G C 0.116 174.954 174.900 -0.104 0.000 1.344 61 G CA -0.231 44.859 45.100 -0.017 0.000 0.855 61 G HN 1.848 nan 8.290 nan 0.000 0.537 62 T N -2.061 112.319 114.554 -0.289 0.000 2.802 62 T HA 0.432 4.782 4.350 0.000 0.000 0.305 62 T C 1.843 176.392 174.700 -0.251 0.000 1.053 62 T CA 0.420 62.263 62.100 -0.428 0.000 1.058 62 T CB 1.301 69.862 68.868 -0.512 0.000 0.988 62 T HN 1.499 nan 8.240 nan 0.000 0.539 63 V N 1.729 121.516 119.914 -0.211 0.000 2.324 63 V HA -0.173 3.947 4.120 0.000 0.000 0.250 63 V C 2.777 178.779 176.094 -0.153 0.000 1.060 63 V CA 2.320 64.531 62.300 -0.149 0.000 1.042 63 V CB -1.141 30.616 31.823 -0.110 0.000 0.650 63 V HN 0.884 nan 8.190 nan 0.000 0.450 64 E N -0.162 119.935 120.200 -0.172 0.000 2.077 64 E HA -0.222 4.128 4.350 0.000 0.000 0.193 64 E C 2.292 178.772 176.600 -0.200 0.000 0.989 64 E CA 1.273 57.582 56.400 -0.153 0.000 0.800 64 E CB -0.319 29.291 29.700 -0.150 0.000 0.746 64 E HN 0.666 nan 8.360 nan 0.000 0.452 65 Q N 0.063 119.678 119.800 -0.309 0.000 2.084 65 Q HA -0.096 4.244 4.340 0.000 0.000 0.202 65 Q C 2.264 178.104 176.000 -0.267 0.000 0.978 65 Q CA 1.267 56.758 55.803 -0.521 0.000 0.844 65 Q CB -0.117 28.241 28.738 -0.633 0.000 0.898 65 Q HN 0.171 nan 8.270 nan 0.000 0.426 66 R N 0.223 120.620 120.500 -0.172 0.000 2.075 66 R HA -0.074 4.266 4.340 0.000 0.000 0.232 66 R C 2.314 178.550 176.300 -0.107 0.000 1.126 66 R CA 0.929 56.967 56.100 -0.104 0.000 0.963 66 R CB -0.258 29.979 30.300 -0.106 0.000 0.858 66 R HN 0.229 nan 8.270 nan 0.000 0.435 67 L N 0.488 121.635 121.223 -0.126 0.000 2.083 67 L HA -0.186 4.155 4.340 0.000 0.000 0.209 67 L C 2.523 179.357 176.870 -0.059 0.000 1.083 67 L CA 1.343 56.088 54.840 -0.158 0.000 0.752 67 L CB -0.361 41.657 42.059 -0.068 0.000 0.899 67 L HN 0.270 nan 8.230 nan 0.000 0.433 68 E N 0.157 120.372 120.200 0.025 0.000 2.058 68 E HA -0.260 4.090 4.350 0.000 0.000 0.194 68 E C 1.663 178.342 176.600 0.131 0.000 0.997 68 E CA 1.652 58.123 56.400 0.118 0.000 0.801 68 E CB 0.137 29.908 29.700 0.119 0.000 0.746 68 E HN 0.410 nan 8.360 nan 0.000 0.450 69 D N 0.130 120.598 120.400 0.112 0.000 2.117 69 D HA -0.146 4.494 4.640 0.000 0.000 0.198 69 D C 1.809 178.153 176.300 0.074 0.000 0.982 69 D CA 0.481 54.542 54.000 0.102 0.000 0.828 69 D CB -0.210 40.639 40.800 0.083 0.000 0.967 69 D HN 0.145 nan 8.370 nan 0.000 0.464 70 L N 0.528 121.749 121.223 -0.004 0.000 2.017 70 L HA -0.131 4.209 4.340 0.000 0.000 0.208 70 L C 1.837 178.765 176.870 0.096 0.000 1.073 70 L CA 1.936 56.781 54.840 0.007 0.000 0.745 70 L CB -1.047 40.923 42.059 -0.148 0.000 0.894 70 L HN 0.159 nan 8.230 nan 0.000 0.432 71 H N -0.975 118.160 119.070 0.108 0.000 2.353 71 H HA -0.154 4.402 4.556 0.000 0.000 0.300 71 H C 2.168 177.599 175.328 0.172 0.000 1.090 71 H CA 1.516 57.625 56.048 0.102 0.000 1.327 71 H CB -0.062 29.704 29.762 0.007 0.000 1.383 71 H HN 0.457 nan 8.280 nan 0.000 0.508 72 N N 1.125 119.976 118.700 0.252 0.000 2.166 72 N HA -0.157 4.583 4.740 0.000 0.000 0.186 72 N C 1.961 177.599 175.510 0.213 0.000 1.019 72 N CA 1.057 54.234 53.050 0.212 0.000 0.856 72 N CB -0.069 38.539 38.487 0.202 0.000 0.993 72 N HN 0.379 nan 8.380 nan 0.000 0.426 73 A N -0.272 122.679 122.820 0.219 0.000 2.019 73 A HA -0.062 4.259 4.320 0.000 0.000 0.219 73 A C 1.544 179.093 177.584 -0.057 0.000 1.164 73 A CA 0.815 52.923 52.037 0.118 0.000 0.644 73 A CB -0.677 18.376 19.000 0.088 0.000 0.805 73 A HN 0.379 nan 8.150 nan 0.000 0.449 74 F N -0.513 119.498 119.950 0.101 0.000 2.749 74 F HA 0.087 4.614 4.527 0.000 0.000 0.300 74 F C 1.423 177.262 175.800 0.065 0.000 1.103 74 F CA 0.285 58.336 58.000 0.086 0.000 1.342 74 F CB 0.410 39.462 39.000 0.087 0.000 1.098 74 F HN 0.161 nan 8.300 nan 0.000 0.586 75 D N -0.198 120.305 120.400 0.172 0.000 2.240 75 D HA 0.038 4.678 4.640 0.000 0.000 0.206 75 D C 1.093 177.416 176.300 0.038 0.000 0.963 75 D CA 0.716 54.777 54.000 0.101 0.000 0.863 75 D CB 0.056 40.908 40.800 0.088 0.000 0.973 75 D HN 0.123 nan 8.370 nan 0.000 0.501 76 M N 2.296 121.898 119.600 0.003 0.000 2.217 76 M HA 0.101 4.581 4.480 0.000 0.000 0.352 76 M C -1.505 174.770 176.300 -0.042 0.000 1.376 76 M CA -1.072 54.196 55.300 -0.053 0.000 1.107 76 M CB 0.709 33.229 32.600 -0.134 0.000 1.723 76 M HN -0.220 nan 8.290 nan 0.000 0.461 77 P HA -0.103 nan 4.420 nan 0.000 0.225 77 P C 0.468 177.753 177.300 -0.026 0.000 1.156 77 P CA 1.170 64.258 63.100 -0.020 0.000 0.787 77 P CB -0.112 31.580 31.700 -0.013 0.000 0.802 78 D N -1.041 119.335 120.400 -0.039 0.000 2.340 78 D HA -0.020 4.620 4.640 0.000 0.000 0.220 78 D C 0.571 176.856 176.300 -0.026 0.000 1.039 78 D CA -0.057 53.925 54.000 -0.030 0.000 0.866 78 D CB -0.439 40.341 40.800 -0.034 0.000 0.913 78 D HN 0.066 nan 8.370 nan 0.000 0.523 79 I N 2.122 122.668 120.570 -0.040 0.000 2.471 79 I HA 0.078 4.248 4.170 0.000 0.000 0.286 79 I C 1.367 177.455 176.117 -0.048 0.000 1.079 79 I CA 0.241 61.516 61.300 -0.041 0.000 1.398 79 I CB 1.063 39.017 38.000 -0.075 0.000 1.403 79 I HN 0.030 nan 8.210 nan 0.000 0.530 80 T N 1.658 116.197 114.554 -0.024 0.000 3.040 80 T HA 0.609 4.960 4.350 0.000 0.000 0.266 80 T C 0.312 174.993 174.700 -0.032 0.000 1.005 80 T CA -0.095 61.992 62.100 -0.022 0.000 0.906 80 T CB 0.515 69.382 68.868 -0.001 0.000 1.082 80 T HN 0.694 nan 8.240 nan 0.000 0.531 81 A N 0.438 123.236 122.820 -0.036 0.000 2.594 81 A HA 0.673 4.993 4.320 0.000 0.000 0.296 81 A C -1.595 175.973 177.584 -0.026 0.000 1.061 81 A CA -0.723 51.286 52.037 -0.046 0.000 0.689 81 A CB 1.610 20.575 19.000 -0.058 0.000 1.280 81 A HN 0.300 nan 8.150 nan 0.000 0.406 82 V N 1.848 121.743 119.914 -0.031 0.000 2.325 82 V HA 0.368 4.489 4.120 0.000 0.000 0.280 82 V C -1.147 175.001 176.094 0.090 0.000 1.016 82 V CA -0.382 61.928 62.300 0.017 0.000 0.818 82 V CB 1.107 32.914 31.823 -0.027 0.000 1.019 82 V HN 0.801 nan 8.190 nan 0.000 0.434 83 W N 5.838 127.105 121.300 -0.055 0.000 2.291 83 W HA 0.488 5.148 4.660 0.001 0.000 0.312 83 W C 0.032 176.509 176.519 -0.071 0.000 1.061 83 W CA -1.538 55.767 57.345 -0.067 0.000 1.296 83 W CB 1.190 30.621 29.460 -0.047 0.000 1.223 83 W HN 0.501 nan 8.180 nan 0.000 0.421 84 C N 6.655 126.121 119.300 0.277 0.000 2.653 84 C HA 0.036 4.496 4.460 0.000 0.000 0.421 84 C C 2.193 177.184 174.990 0.001 0.000 1.334 84 C CA -0.222 58.844 59.018 0.080 0.000 1.885 84 C CB -0.293 27.458 27.740 0.018 0.000 2.645 84 C HN 0.715 nan 8.230 nan 0.000 0.601 85 L N 1.684 122.857 121.223 -0.083 0.000 2.131 85 L HA 0.071 4.412 4.340 0.000 0.000 0.206 85 L C 1.393 178.197 176.870 -0.111 0.000 1.087 85 L CA 1.349 56.096 54.840 -0.155 0.000 0.767 85 L CB -0.224 41.751 42.059 -0.140 0.000 0.917 85 L HN 0.679 nan 8.230 nan 0.000 0.441 86 R N -1.642 118.814 120.500 -0.074 0.000 2.643 86 R HA 0.396 4.736 4.340 0.000 0.000 0.269 86 R C -0.180 176.071 176.300 -0.081 0.000 1.037 86 R CA -0.031 56.030 56.100 -0.064 0.000 0.894 86 R CB 1.591 31.861 30.300 -0.051 0.000 1.238 86 R HN -0.007 nan 8.270 nan 0.000 0.459 87 G N 0.586 109.315 108.800 -0.119 0.000 3.348 87 G HA2 0.490 4.450 3.960 0.000 0.000 0.180 87 G HA3 0.490 4.450 3.960 0.000 0.000 0.180 87 G C 0.635 175.483 174.900 -0.088 0.000 1.915 87 G CA 0.436 45.446 45.100 -0.151 0.000 0.937 87 G HN 1.026 nan 8.290 nan 0.000 0.564 88 G N -0.978 107.776 108.800 -0.077 0.000 3.675 88 G HA2 -0.058 3.902 3.960 0.000 0.000 0.275 88 G HA3 -0.058 3.902 3.960 0.000 0.000 0.275 88 G C -0.085 174.857 174.900 0.069 0.000 1.648 88 G CA 1.014 46.109 45.100 -0.008 0.000 1.093 88 G HN 1.784 nan 8.290 nan 0.000 0.617 89 Y N 0.666 120.936 120.300 -0.050 0.000 2.521 89 Y HA 0.546 5.096 4.550 0.000 0.000 0.332 89 Y C 0.597 176.509 175.900 0.020 0.000 1.121 89 Y CA 0.803 58.885 58.100 -0.031 0.000 1.037 89 Y CB 1.344 39.763 38.460 -0.068 0.000 1.330 89 Y HN 2.096 nan 8.280 nan 0.000 0.452 90 G N 1.479 109.695 108.800 -0.974 0.000 2.485 90 G HA2 -0.253 3.707 3.960 0.000 0.000 0.181 90 G HA3 -0.253 3.707 3.960 0.000 0.000 0.181 90 G C 1.062 175.712 174.900 -0.418 0.000 0.999 90 G CA 0.227 44.769 45.100 -0.930 0.000 0.721 90 G HN 1.485 nan 8.290 nan 0.000 0.486 91 C N 1.362 120.504 119.300 -0.263 0.000 2.448 91 C HA 0.458 4.918 4.460 0.000 0.000 0.280 91 C C 2.883 177.812 174.990 -0.102 0.000 1.398 91 C CA 1.432 60.357 59.018 -0.154 0.000 1.774 91 C CB -1.165 26.502 27.740 -0.122 0.000 1.888 91 C HN 0.889 nan 8.230 nan 0.000 0.519 92 G N 0.169 108.921 108.800 -0.081 0.000 2.448 92 G HA2 -0.141 3.819 3.960 0.000 0.000 0.219 92 G HA3 -0.141 3.819 3.960 0.000 0.000 0.219 92 G C 1.704 176.601 174.900 -0.005 0.000 1.127 92 G CA 0.675 45.774 45.100 -0.003 0.000 0.766 92 G HN 0.765 nan 8.290 nan 0.000 0.552 93 Q N -0.326 119.440 119.800 -0.057 0.000 2.297 93 Q HA 0.039 4.380 4.340 0.000 0.000 0.208 93 Q C 2.344 178.319 176.000 -0.040 0.000 0.981 93 Q CA 0.611 56.392 55.803 -0.037 0.000 0.876 93 Q CB -0.194 28.503 28.738 -0.069 0.000 0.921 93 Q HN 0.479 nan 8.270 nan 0.000 0.446 94 L N -0.038 121.148 121.223 -0.062 0.000 2.395 94 L HA -0.066 4.274 4.340 0.000 0.000 0.218 94 L C 2.026 178.857 176.870 -0.064 0.000 1.130 94 L CA 0.318 55.108 54.840 -0.083 0.000 0.826 94 L CB -0.323 41.663 42.059 -0.122 0.000 0.941 94 L HN 0.271 nan 8.230 nan 0.000 0.451 95 L N 0.530 121.754 121.223 0.002 0.000 2.079 95 L HA -0.145 4.195 4.340 0.000 0.000 0.210 95 L C -0.272 176.640 176.870 0.070 0.000 1.081 95 L CA 1.276 56.160 54.840 0.073 0.000 0.752 95 L CB -1.616 40.535 42.059 0.153 0.000 0.896 95 L HN 0.278 nan 8.230 nan 0.000 0.433 96 P HA -0.022 nan 4.420 nan 0.000 0.242 96 P C 1.032 178.334 177.300 0.002 0.000 1.197 96 P CA 0.927 64.053 63.100 0.044 0.000 0.765 96 P CB 0.030 31.753 31.700 0.038 0.000 0.936 97 G N -1.409 107.365 108.800 -0.043 0.000 3.228 97 G HA2 0.173 4.133 3.960 0.000 0.000 0.245 97 G HA3 0.173 4.133 3.960 0.000 0.000 0.245 97 G C 0.134 174.987 174.900 -0.079 0.000 1.051 97 G CA -0.100 44.970 45.100 -0.050 0.000 0.809 97 G HN 0.152 nan 8.290 nan 0.000 0.531 98 L N 1.558 122.631 121.223 -0.250 0.000 2.367 98 L HA 0.262 4.602 4.340 0.000 0.000 0.275 98 L C -0.342 176.211 176.870 -0.527 0.000 1.129 98 L CA -0.571 53.984 54.840 -0.476 0.000 0.839 98 L CB 1.318 42.698 42.059 -1.132 0.000 1.133 98 L HN -0.043 nan 8.230 nan 0.000 0.453 99 D N 2.753 123.023 120.400 -0.217 0.000 2.494 99 D HA 0.028 4.669 4.640 0.000 0.000 0.217 99 D C 0.626 176.743 176.300 -0.306 0.000 1.153 99 D CA -0.187 53.646 54.000 -0.280 0.000 0.954 99 D CB 0.359 40.951 40.800 -0.347 0.000 1.034 99 D HN 0.362 nan 8.370 nan 0.000 0.518 100 W N 2.389 123.592 121.300 -0.160 0.000 2.342 100 W HA -0.076 4.584 4.660 0.000 0.000 0.297 100 W C 2.442 178.864 176.519 -0.161 0.000 1.213 100 W CA 0.761 57.960 57.345 -0.243 0.000 1.251 100 W CB -0.182 29.119 29.460 -0.264 0.000 1.136 100 W HN 0.473 nan 8.180 nan 0.000 0.526 101 G N 0.398 109.260 108.800 0.104 0.000 2.418 101 G HA2 -0.246 3.714 3.960 0.000 0.000 0.217 101 G HA3 -0.246 3.714 3.960 0.000 0.000 0.217 101 G C 1.522 176.428 174.900 0.011 0.000 1.158 101 G CA 0.820 45.952 45.100 0.054 0.000 0.771 101 G HN 0.201 nan 8.290 nan 0.000 0.545 102 R N -0.729 119.752 120.500 -0.032 0.000 2.148 102 R HA 0.027 4.367 4.340 0.000 0.000 0.227 102 R C 2.321 178.619 176.300 -0.003 0.000 1.103 102 R CA 0.546 56.634 56.100 -0.020 0.000 0.983 102 R CB -0.260 30.009 30.300 -0.053 0.000 0.874 102 R HN 0.267 nan 8.270 nan 0.000 0.451 103 L N 0.744 121.897 121.223 -0.117 0.000 2.131 103 L HA -0.075 4.265 4.340 0.000 0.000 0.206 103 L C 1.837 178.697 176.870 -0.016 0.000 1.087 103 L CA 1.649 56.355 54.840 -0.224 0.000 0.767 103 L CB -0.473 41.210 42.059 -0.627 0.000 0.917 103 L HN 0.099 nan 8.230 nan 0.000 0.441 104 E N -0.536 119.675 120.200 0.018 0.000 2.208 104 E HA -0.084 4.266 4.350 0.000 0.000 0.193 104 E C 2.166 178.808 176.600 0.070 0.000 0.988 104 E CA 0.863 57.294 56.400 0.051 0.000 0.828 104 E CB -0.140 29.590 29.700 0.049 0.000 0.763 104 E HN 0.459 nan 8.360 nan 0.000 0.478 105 A N 1.342 124.203 122.820 0.068 0.000 2.067 105 A HA 0.236 4.556 4.320 0.000 0.000 0.217 105 A C 1.351 178.990 177.584 0.091 0.000 1.156 105 A CA 0.533 52.610 52.037 0.067 0.000 0.683 105 A CB -0.054 18.977 19.000 0.051 0.000 0.808 105 A HN 0.222 nan 8.150 nan 0.000 0.455 106 A N 0.694 123.600 122.820 0.143 0.000 2.351 106 A HA 0.516 4.836 4.320 0.000 0.000 0.257 106 A C 0.886 178.549 177.584 0.131 0.000 1.087 106 A CA 0.210 52.344 52.037 0.162 0.000 0.798 106 A CB -0.081 19.093 19.000 0.290 0.000 1.033 106 A HN 0.987 nan 8.150 nan 0.000 0.488 107 S N 1.712 117.463 115.700 0.084 0.000 2.573 107 S HA 0.327 4.797 4.470 0.000 0.000 0.277 107 S C -2.570 172.075 174.600 0.074 0.000 1.346 107 S CA -0.838 57.400 58.200 0.064 0.000 1.034 107 S CB -0.355 62.867 63.200 0.036 0.000 0.879 107 S HN 0.497 nan 8.310 nan 0.000 0.528 108 P HA 0.149 nan 4.420 nan 0.000 0.264 108 P C -0.519 176.813 177.300 0.054 0.000 1.193 108 P CA 0.075 63.227 63.100 0.087 0.000 0.763 108 P CB 0.110 31.852 31.700 0.071 0.000 0.810 109 R N 2.139 122.682 120.500 0.072 0.000 2.921 109 R HA 0.392 4.732 4.340 0.000 0.000 0.269 109 R C -3.221 173.116 176.300 0.062 0.000 1.696 109 R CA -1.979 54.118 56.100 -0.004 0.000 1.161 109 R CB 0.390 30.596 30.300 -0.155 0.000 1.337 109 R HN 0.158 nan 8.270 nan 0.000 0.496 110 P HA -0.074 nan 4.420 nan 0.000 0.265 110 P C -0.481 176.824 177.300 0.008 0.000 1.193 110 P CA -0.339 62.793 63.100 0.053 0.000 0.765 110 P CB 0.537 32.219 31.700 -0.031 0.000 0.823 111 L N 5.289 126.527 121.223 0.025 0.000 2.331 111 L HA 0.372 4.712 4.340 0.000 0.000 0.278 111 L C -0.598 176.150 176.870 -0.203 0.000 1.106 111 L CA 0.185 54.949 54.840 -0.126 0.000 0.824 111 L CB -0.050 41.740 42.059 -0.449 0.000 1.142 111 L HN 0.236 nan 8.230 nan 0.000 0.443 112 I N 5.269 125.723 120.570 -0.193 0.000 2.436 112 I HA 0.844 5.015 4.170 0.000 0.000 0.289 112 I C 0.387 176.440 176.117 -0.107 0.000 1.010 112 I CA -0.183 60.966 61.300 -0.253 0.000 1.098 112 I CB 1.640 39.327 38.000 -0.521 0.000 1.266 112 I HN 0.758 nan 8.210 nan 0.000 0.434 113 G N 4.757 113.471 108.800 -0.144 0.000 2.321 113 G HA2 0.527 4.487 3.960 0.000 0.000 0.296 113 G HA3 0.527 4.487 3.960 0.000 0.000 0.296 113 G C -1.607 173.230 174.900 -0.105 0.000 1.287 113 G CA -0.582 44.499 45.100 -0.032 0.000 0.846 113 G HN 0.645 nan 8.290 nan 0.000 0.508 114 F N -2.114 117.628 119.950 -0.347 0.000 3.129 114 F HA 0.841 5.368 4.527 0.000 0.000 0.326 114 F C 0.742 176.407 175.800 -0.224 0.000 1.202 114 F CA 0.114 57.825 58.000 -0.480 0.000 0.929 114 F CB 0.913 39.442 39.000 -0.784 0.000 1.473 114 F HN 2.396 nan 8.300 nan 0.000 0.512 115 A N 1.105 123.524 122.820 -0.669 0.000 5.471 115 A HA -0.413 3.907 4.320 0.000 0.000 0.292 115 A C 1.196 178.665 177.584 -0.192 0.000 2.024 115 A CA 1.725 53.468 52.037 -0.489 0.000 0.716 115 A CB -2.551 15.934 19.000 -0.859 0.000 1.221 115 A HN 1.309 nan 8.150 nan 0.000 0.364 116 D N -1.084 119.219 120.400 -0.161 0.000 2.221 116 D HA -0.117 4.524 4.640 0.000 0.000 0.204 116 D C 1.595 177.842 176.300 -0.088 0.000 0.982 116 D CA 1.764 55.722 54.000 -0.071 0.000 0.857 116 D CB -0.149 40.621 40.800 -0.051 0.000 0.934 116 D HN 0.460 nan 8.370 nan 0.000 0.475 117 I N 0.556 121.038 120.570 -0.146 0.000 2.567 117 I HA -0.186 3.984 4.170 0.000 0.000 0.257 117 I C 2.185 178.218 176.117 -0.140 0.000 1.184 117 I CA 0.711 61.922 61.300 -0.148 0.000 1.451 117 I CB -1.320 36.581 38.000 -0.164 0.000 1.089 117 I HN 0.031 nan 8.210 nan 0.000 0.441 118 S N 1.072 116.723 115.700 -0.082 0.000 2.400 118 S HA -0.177 4.293 4.470 0.000 0.000 0.234 118 S C 2.275 176.852 174.600 -0.039 0.000 1.049 118 S CA 1.454 59.643 58.200 -0.018 0.000 1.039 118 S CB -0.534 62.747 63.200 0.135 0.000 0.856 118 S HN 0.333 nan 8.310 nan 0.000 0.465 119 V N 1.663 121.573 119.914 -0.006 0.000 2.295 119 V HA -0.161 3.959 4.120 0.000 0.000 0.246 119 V C 2.167 178.271 176.094 0.017 0.000 1.049 119 V CA 1.599 63.919 62.300 0.032 0.000 1.024 119 V CB -0.644 31.204 31.823 0.042 0.000 0.648 119 V HN 0.429 nan 8.190 nan 0.000 0.447 120 L N -0.809 120.385 121.223 -0.048 0.000 2.093 120 L HA -0.140 4.200 4.340 0.000 0.000 0.208 120 L C 2.372 179.158 176.870 -0.140 0.000 1.085 120 L CA 1.213 56.020 54.840 -0.056 0.000 0.755 120 L CB -0.425 41.518 42.059 -0.192 0.000 0.904 120 L HN 0.319 nan 8.230 nan 0.000 0.435 121 L N -1.082 119.950 121.223 -0.319 0.000 2.012 121 L HA -0.259 4.081 4.340 0.000 0.000 0.210 121 L C 2.837 179.434 176.870 -0.455 0.000 1.073 121 L CA 1.625 56.114 54.840 -0.584 0.000 0.748 121 L CB -0.843 40.589 42.059 -1.045 0.000 0.891 121 L HN 0.277 nan 8.230 nan 0.000 0.431 122 S N -0.052 115.491 115.700 -0.262 0.000 2.356 122 S HA -0.202 4.269 4.470 0.000 0.000 0.223 122 S C 2.139 176.885 174.600 0.243 0.000 1.032 122 S CA 1.326 59.636 58.200 0.185 0.000 1.005 122 S CB -0.153 63.192 63.200 0.242 0.000 0.867 122 S HN 0.421 nan 8.310 nan 0.000 0.449 123 A N 0.358 123.310 122.820 0.219 0.000 1.933 123 A HA 0.077 4.398 4.320 0.000 0.000 0.218 123 A C 1.900 179.647 177.584 0.271 0.000 1.175 123 A CA 1.389 53.572 52.037 0.244 0.000 0.628 123 A CB -0.985 18.245 19.000 0.382 0.000 0.814 123 A HN 0.583 nan 8.150 nan 0.000 0.444 124 F N -0.495 119.540 119.950 0.142 0.000 2.102 124 F HA -0.134 4.393 4.527 0.001 0.000 0.298 124 F C 2.269 178.174 175.800 0.175 0.000 1.105 124 F CA 1.341 59.448 58.000 0.178 0.000 1.239 124 F CB -1.089 38.007 39.000 0.160 0.000 0.991 124 F HN 0.543 nan 8.300 nan 0.000 0.474 125 H N -0.002 119.237 119.070 0.281 0.000 2.352 125 H HA -0.201 4.355 4.556 0.000 0.000 0.299 125 H C 2.657 177.977 175.328 -0.013 0.000 1.097 125 H CA 1.501 57.699 56.048 0.249 0.000 1.311 125 H CB -0.060 30.003 29.762 0.502 0.000 1.377 125 H HN 0.129 nan 8.280 nan 0.000 0.504 126 R N -0.163 120.176 120.500 -0.269 0.000 2.127 126 R HA -0.165 4.175 4.340 0.000 0.000 0.238 126 R C 0.891 176.746 176.300 -0.740 0.000 1.134 126 R CA 1.954 57.530 56.100 -0.873 0.000 0.975 126 R CB -0.146 29.732 30.300 -0.704 0.000 0.865 126 R HN 0.508 nan 8.270 nan 0.000 0.447 127 H N -1.609 117.187 119.070 -0.457 0.000 2.517 127 H HA 0.258 4.814 4.556 0.000 0.000 0.282 127 H C 0.674 175.878 175.328 -0.207 0.000 1.023 127 H CA 0.611 56.394 56.048 -0.442 0.000 1.169 127 H CB 1.060 30.353 29.762 -0.781 0.000 1.454 127 H HN 0.520 nan 8.280 nan 0.000 0.556 128 G N 0.761 109.535 108.800 -0.043 0.000 2.176 128 G HA2 -0.282 3.678 3.960 0.000 0.000 0.252 128 G HA3 -0.282 3.678 3.960 0.000 0.000 0.252 128 G C -0.168 174.786 174.900 0.090 0.000 1.024 128 G CA 0.046 45.172 45.100 0.044 0.000 0.755 128 G HN 0.306 nan 8.290 nan 0.000 0.507 129 L N 1.309 122.604 121.223 0.120 0.000 2.309 129 L HA 0.525 4.865 4.340 0.000 0.000 0.282 129 L C -1.534 175.507 176.870 0.284 0.000 1.036 129 L CA -2.424 52.512 54.840 0.159 0.000 0.806 129 L CB 1.751 43.798 42.059 -0.020 0.000 1.220 129 L HN -0.056 nan 8.230 nan 0.000 0.429 130 P HA 0.339 nan 4.420 nan 0.000 0.275 130 P C -1.160 176.285 177.300 0.241 0.000 1.228 130 P CA -0.208 63.017 63.100 0.208 0.000 0.786 130 P CB 1.639 33.421 31.700 0.137 0.000 0.927 131 A N 2.619 125.523 122.820 0.141 0.000 2.609 131 A HA 0.789 5.109 4.320 0.000 0.000 0.291 131 A C -1.375 176.186 177.584 -0.038 0.000 1.096 131 A CA -0.665 51.395 52.037 0.039 0.000 0.684 131 A CB 1.201 20.206 19.000 0.008 0.000 1.282 131 A HN 0.434 nan 8.150 nan 0.000 0.412 132 I N 1.502 121.977 120.570 -0.157 0.000 2.534 132 I HA 0.253 4.423 4.170 0.000 0.000 0.288 132 I C -0.695 175.212 176.117 -0.350 0.000 1.077 132 I CA -0.434 60.711 61.300 -0.257 0.000 1.051 132 I CB 1.994 39.814 38.000 -0.301 0.000 1.234 132 I HN 0.821 nan 8.210 nan 0.000 0.425 133 H N 5.977 124.623 119.070 -0.707 0.000 2.934 133 H HA 0.603 5.159 4.556 0.000 0.000 0.273 133 H C -0.422 174.462 175.328 -0.739 0.000 1.121 133 H CA 0.260 55.791 56.048 -0.861 0.000 1.451 133 H CB 0.761 29.499 29.762 -1.708 0.000 1.469 133 H HN 0.863 nan 8.280 nan 0.000 0.476 134 G N 4.788 113.253 108.800 -0.558 0.000 2.554 134 G HA2 0.220 4.180 3.960 0.000 0.000 0.306 134 G HA3 0.220 4.180 3.960 0.000 0.000 0.306 134 G C -3.189 171.485 174.900 -0.376 0.000 1.320 134 G CA -1.242 43.581 45.100 -0.462 0.000 0.800 134 G HN 0.327 nan 8.290 nan 0.000 0.481 135 P HA 0.254 nan 4.420 nan 0.000 0.265 135 P C 0.631 178.111 177.300 0.300 0.000 1.187 135 P CA -0.160 62.870 63.100 -0.116 0.000 0.766 135 P CB 0.731 32.415 31.700 -0.027 0.000 0.820 136 V N 0.206 120.330 119.914 0.350 0.000 3.003 136 V HA 0.397 4.518 4.120 0.000 0.000 0.305 136 V C 1.433 177.523 176.094 -0.007 0.000 1.078 136 V CA 0.333 62.785 62.300 0.253 0.000 1.083 136 V CB 0.135 32.027 31.823 0.115 0.000 1.039 136 V HN 0.618 nan 8.190 nan 0.000 0.481 137 A N 2.167 124.683 122.820 -0.506 0.000 2.015 137 A HA -0.065 4.256 4.320 0.000 0.000 0.219 137 A C 2.130 179.429 177.584 -0.475 0.000 1.163 137 A CA 1.977 53.402 52.037 -1.020 0.000 0.646 137 A CB -1.182 16.993 19.000 -1.375 0.000 0.806 137 A HN 1.423 nan 8.150 nan 0.000 0.448 138 T N -2.827 111.565 114.554 -0.270 0.000 3.098 138 T HA 0.080 4.431 4.350 0.000 0.000 0.266 138 T C 1.679 176.328 174.700 -0.086 0.000 1.145 138 T CA 1.079 63.084 62.100 -0.159 0.000 1.092 138 T CB -0.548 68.256 68.868 -0.107 0.000 0.908 138 T HN 0.390 nan 8.240 nan 0.000 0.526 139 G N 1.827 110.594 108.800 -0.056 0.000 2.479 139 G HA2 -0.087 3.873 3.960 0.000 0.000 0.220 139 G HA3 -0.087 3.873 3.960 0.000 0.000 0.220 139 G C 1.354 176.259 174.900 0.007 0.000 1.115 139 G CA 0.597 45.700 45.100 0.004 0.000 0.757 139 G HN 0.577 nan 8.290 nan 0.000 0.560 140 L N 0.244 121.449 121.223 -0.029 0.000 2.291 140 L HA 0.116 4.457 4.340 0.000 0.000 0.214 140 L C 2.556 179.420 176.870 -0.010 0.000 1.120 140 L CA 0.806 55.652 54.840 0.010 0.000 0.799 140 L CB -0.021 42.023 42.059 -0.024 0.000 0.925 140 L HN 0.295 nan 8.230 nan 0.000 0.446 141 G N -0.820 107.956 108.800 -0.040 0.000 3.502 141 G HA2 0.345 4.306 3.960 0.000 0.000 0.267 141 G HA3 0.345 4.306 3.960 0.000 0.000 0.267 141 G C 0.538 175.426 174.900 -0.020 0.000 1.090 141 G CA -0.368 44.708 45.100 -0.040 0.000 0.795 141 G HN 0.010 nan 8.290 nan 0.000 0.535 151 Q N 1.746 121.565 119.800 0.031 0.000 2.135 151 Q HA -0.136 4.204 4.340 0.000 0.000 0.204 151 Q C 2.038 178.063 176.000 0.043 0.000 0.981 151 Q CA 1.851 57.676 55.803 0.037 0.000 0.856 151 Q CB 0.092 28.851 28.738 0.035 0.000 0.902 151 Q HN 0.126 nan 8.270 nan 0.000 0.425 152 Q N 0.229 120.052 119.800 0.038 0.000 2.084 152 Q HA -0.165 4.175 4.340 0.000 0.000 0.202 152 Q C 1.963 177.986 176.000 0.039 0.000 0.978 152 Q CA 1.675 57.503 55.803 0.042 0.000 0.844 152 Q CB -0.142 28.616 28.738 0.034 0.000 0.898 152 Q HN 0.614 nan 8.270 nan 0.000 0.426 153 E N 0.410 120.627 120.200 0.028 0.000 2.077 153 E HA -0.190 4.160 4.350 0.000 0.000 0.193 153 E C 2.106 178.717 176.600 0.018 0.000 0.989 153 E CA 0.840 57.252 56.400 0.019 0.000 0.800 153 E CB -0.095 29.614 29.700 0.015 0.000 0.746 153 E HN 0.202 nan 8.360 nan 0.000 0.452 154 R N 0.911 121.426 120.500 0.026 0.000 2.073 154 R HA -0.144 4.196 4.340 0.000 0.000 0.234 154 R C 2.276 178.606 176.300 0.049 0.000 1.134 154 R CA 1.120 57.236 56.100 0.027 0.000 0.952 154 R CB -0.230 30.092 30.300 0.037 0.000 0.850 154 R HN 0.162 nan 8.270 nan 0.000 0.433 155 L N 0.410 121.679 121.223 0.076 0.000 2.083 155 L HA -0.113 4.227 4.340 0.000 0.000 0.209 155 L C 2.755 179.689 176.870 0.108 0.000 1.083 155 L CA 1.263 56.180 54.840 0.128 0.000 0.752 155 L CB -0.532 41.611 42.059 0.140 0.000 0.899 155 L HN 0.353 nan 8.230 nan 0.000 0.433 156 A N -0.695 122.159 122.820 0.057 0.000 1.930 156 A HA -0.167 4.153 4.320 0.000 0.000 0.217 156 A C 2.509 180.072 177.584 -0.035 0.000 1.175 156 A CA 1.913 53.960 52.037 0.018 0.000 0.627 156 A CB -0.510 18.497 19.000 0.012 0.000 0.815 156 A HN 0.363 nan 8.150 nan 0.000 0.443 157 S N 0.034 115.714 115.700 -0.032 0.000 2.356 157 S HA -0.117 4.354 4.470 0.000 0.000 0.223 157 S C 1.816 176.352 174.600 -0.106 0.000 1.032 157 S CA 1.570 59.725 58.200 -0.075 0.000 1.005 157 S CB -0.478 62.674 63.200 -0.080 0.000 0.867 157 S HN 0.507 nan 8.310 nan 0.000 0.449 158 L N 1.177 122.373 121.223 -0.045 0.000 2.083 158 L HA -0.090 4.250 4.340 0.000 0.000 0.209 158 L C 2.714 179.362 176.870 -0.370 0.000 1.083 158 L CA 1.162 55.981 54.840 -0.036 0.000 0.752 158 L CB -0.629 41.534 42.059 0.173 0.000 0.899 158 L HN 0.312 nan 8.230 nan 0.000 0.433 159 A N -0.038 122.540 122.820 -0.404 0.000 2.015 159 A HA -0.191 4.129 4.320 0.000 0.000 0.219 159 A C 2.513 179.731 177.584 -0.610 0.000 1.163 159 A CA 1.641 53.166 52.037 -0.853 0.000 0.646 159 A CB -0.638 18.186 19.000 -0.293 0.000 0.806 159 A HN 0.518 nan 8.150 nan 0.000 0.448 160 S N -0.373 115.115 115.700 -0.353 0.000 2.442 160 S HA -0.103 4.367 4.470 0.000 0.000 0.236 160 S C 1.686 176.100 174.600 -0.310 0.000 1.007 160 S CA 1.320 59.372 58.200 -0.246 0.000 0.965 160 S CB -0.751 62.367 63.200 -0.137 0.000 0.773 160 S HN 0.241 nan 8.310 nan 0.000 0.504 161 V N 2.897 122.533 119.914 -0.464 0.000 2.244 161 V HA -0.159 3.962 4.120 0.000 0.000 0.244 161 V C 3.177 178.961 176.094 -0.517 0.000 1.042 161 V CA 2.055 64.012 62.300 -0.572 0.000 1.006 161 V CB -1.367 29.910 31.823 -0.911 0.000 0.641 161 V HN 0.810 nan 8.190 nan 0.000 0.446 162 S N 0.649 115.996 115.700 -0.588 0.000 2.383 162 S HA -0.269 4.201 4.470 0.000 0.000 0.229 162 S C 2.038 176.512 174.600 -0.209 0.000 1.030 162 S CA 1.664 59.652 58.200 -0.354 0.000 1.002 162 S CB -0.545 62.479 63.200 -0.293 0.000 0.829 162 S HN 0.578 nan 8.310 nan 0.000 0.467 163 R N 0.165 120.533 120.500 -0.219 0.000 2.092 163 R HA 0.161 4.501 4.340 0.000 0.000 0.231 163 R C 2.348 178.619 176.300 -0.048 0.000 1.119 163 R CA 1.174 57.214 56.100 -0.101 0.000 0.970 163 R CB -0.519 29.724 30.300 -0.094 0.000 0.864 163 R HN 0.386 nan 8.270 nan 0.000 0.440 164 L N 0.835 122.014 121.223 -0.074 0.000 2.109 164 L HA -0.035 4.305 4.340 0.000 0.000 0.207 164 L C 1.810 178.662 176.870 -0.031 0.000 1.086 164 L CA 1.470 56.309 54.840 -0.002 0.000 0.760 164 L CB -0.243 41.796 42.059 -0.033 0.000 0.910 164 L HN 0.123 nan 8.230 nan 0.000 0.437 165 L N -0.439 120.721 121.223 -0.105 0.000 2.127 165 L HA -0.179 4.161 4.340 0.000 0.000 0.211 165 L C 2.411 179.262 176.870 -0.030 0.000 1.089 165 L CA 1.177 55.964 54.840 -0.087 0.000 0.757 165 L CB -0.713 41.266 42.059 -0.133 0.000 0.899 165 L HN 0.389 nan 8.230 nan 0.000 0.434 166 A N -0.864 121.946 122.820 -0.018 0.000 2.178 166 A HA 0.263 4.583 4.320 0.000 0.000 0.211 166 A C 1.745 179.350 177.584 0.036 0.000 1.157 166 A CA 0.752 52.795 52.037 0.012 0.000 0.780 166 A CB -0.265 18.744 19.000 0.014 0.000 0.828 166 A HN 0.502 nan 8.150 nan 0.000 0.476 167 G N -0.152 108.682 108.800 0.057 0.000 2.136 167 G HA2 -0.295 3.665 3.960 0.000 0.000 0.242 167 G HA3 -0.295 3.665 3.960 0.000 0.000 0.242 167 G C 0.714 175.686 174.900 0.120 0.000 0.989 167 G CA 0.665 45.827 45.100 0.103 0.000 0.682 167 G HN 1.350 nan 8.290 nan 0.000 0.522 168 I N -3.227 117.400 120.570 0.096 0.000 3.728 168 I HA 0.428 4.599 4.170 0.000 0.000 0.307 168 I C -0.224 175.946 176.117 0.089 0.000 1.276 168 I CA -0.135 61.220 61.300 0.092 0.000 1.285 168 I CB 0.305 38.336 38.000 0.051 0.000 1.038 168 I HN -0.079 nan 8.210 nan 0.000 0.445 169 D N 1.715 122.171 120.400 0.093 0.000 2.362 169 D HA 0.350 4.990 4.640 0.000 0.000 0.247 169 D C 0.083 176.376 176.300 -0.010 0.000 1.050 169 D CA -0.130 53.856 54.000 -0.023 0.000 0.839 169 D CB 0.927 41.742 40.800 0.025 0.000 1.283 169 D HN 0.420 nan 8.370 nan 0.000 0.477 170 H N -0.154 118.647 119.070 -0.448 0.000 2.985 170 H HA 0.241 4.797 4.556 0.000 0.000 0.246 170 H C -0.533 173.753 175.328 -1.736 0.000 1.181 170 H CA -0.474 54.829 56.048 -1.241 0.000 0.972 170 H CB 0.966 30.320 29.762 -0.681 0.000 2.016 170 H HN 0.526 nan 8.280 nan 0.000 0.672 171 E N 1.040 120.406 120.200 -1.390 0.000 2.407 171 E HA 0.599 4.949 4.350 0.000 0.000 0.279 171 E C -1.885 174.439 176.600 -0.461 0.000 1.012 171 E CA -1.027 54.827 56.400 -0.910 0.000 0.800 171 E CB 2.331 31.702 29.700 -0.549 0.000 1.276 171 E HN 0.094 nan 8.360 nan 0.000 0.452 172 L N 1.015 122.114 121.223 -0.206 0.000 2.409 172 L HA 0.581 4.921 4.340 0.000 0.000 0.262 172 L C -2.463 174.373 176.870 -0.057 0.000 0.992 172 L CA -2.396 52.413 54.840 -0.051 0.000 0.817 172 L CB 2.665 44.776 42.059 0.087 0.000 1.350 172 L HN 0.499 nan 8.230 nan 0.000 0.411 173 P HA 0.222 nan 4.420 nan 0.000 0.275 173 P C -1.130 176.169 177.300 -0.003 0.000 1.228 173 P CA -0.174 62.912 63.100 -0.024 0.000 0.786 173 P CB 2.397 34.086 31.700 -0.018 0.000 0.927 174 V N 2.528 122.451 119.914 0.016 0.000 3.147 174 V HA 0.290 4.411 4.120 0.000 0.000 0.299 174 V C -1.420 174.744 176.094 0.116 0.000 1.302 174 V CA -0.602 61.729 62.300 0.051 0.000 1.015 174 V CB 2.616 34.452 31.823 0.021 0.000 1.086 174 V HN 0.520 nan 8.190 nan 0.000 0.437 175 Q N 2.989 122.875 119.800 0.143 0.000 2.337 175 Q HA 0.482 4.822 4.340 0.000 0.000 0.266 175 Q C -0.973 175.213 176.000 0.311 0.000 1.023 175 Q CA -0.547 55.372 55.803 0.193 0.000 0.829 175 Q CB 2.303 31.105 28.738 0.106 0.000 1.306 175 Q HN 0.863 nan 8.270 nan 0.000 0.449 176 H N 2.079 121.167 119.070 0.031 0.000 2.690 176 H HA 0.248 4.805 4.556 0.000 0.000 0.314 176 H C -1.051 174.140 175.328 -0.228 0.000 1.069 176 H CA -0.835 54.976 56.048 -0.396 0.000 1.436 176 H CB 0.735 30.215 29.762 -0.469 0.000 1.462 176 H HN 0.338 nan 8.280 nan 0.000 0.511 177 L N 6.781 127.960 121.223 -0.072 0.000 2.259 177 L HA 0.275 4.615 4.340 0.000 0.000 0.288 177 L C 0.688 177.396 176.870 -0.271 0.000 1.051 177 L CA 1.166 55.858 54.840 -0.247 0.000 0.824 177 L CB 0.070 41.850 42.059 -0.465 0.000 1.206 177 L HN 1.100 nan 8.230 nan 0.000 0.429 178 G N 3.347 111.965 108.800 -0.304 0.000 2.569 178 G HA2 0.207 4.167 3.960 0.000 0.000 0.259 178 G HA3 0.207 4.167 3.960 0.000 0.000 0.259 178 G C 0.602 175.208 174.900 -0.490 0.000 1.263 178 G CA -0.243 44.678 45.100 -0.299 0.000 0.928 178 G HN 1.986 nan 8.290 nan 0.000 0.572 179 G N -0.719 107.901 108.800 -0.300 0.000 2.528 179 G HA2 0.291 4.251 3.960 0.000 0.000 0.262 179 G HA3 0.291 4.251 3.960 0.000 0.000 0.262 179 G C 0.157 174.916 174.900 -0.235 0.000 1.200 179 G CA 1.505 46.430 45.100 -0.290 0.000 0.951 179 G HN 2.966 nan 8.290 nan 0.000 0.566 180 H N -0.459 118.528 119.070 -0.139 0.000 2.985 180 H HA 0.649 5.205 4.556 0.000 0.000 0.360 180 H C -0.399 174.960 175.328 0.052 0.000 1.221 180 H CA -0.805 55.201 56.048 -0.069 0.000 1.121 180 H CB 1.096 30.849 29.762 -0.015 0.000 1.854 180 H HN 0.592 nan 8.280 nan 0.000 0.551 181 K N 1.570 122.099 120.400 0.215 0.000 2.472 181 K HA 0.029 4.350 4.320 0.000 0.000 0.280 181 K C 0.072 176.837 176.600 0.275 0.000 1.028 181 K CA 0.621 57.037 56.287 0.215 0.000 1.045 181 K CB 0.407 32.990 32.500 0.139 0.000 0.902 181 K HN 0.680 nan 8.250 nan 0.000 0.478 182 Q N 1.796 121.733 119.800 0.228 0.000 2.685 182 Q HA 0.370 4.710 4.340 0.000 0.000 0.301 182 Q C -1.347 174.722 176.000 0.115 0.000 0.924 182 Q CA -1.254 54.653 55.803 0.172 0.000 0.755 182 Q CB 1.508 30.349 28.738 0.173 0.000 1.470 182 Q HN 0.456 nan 8.270 nan 0.000 0.434 183 R N 1.093 121.637 120.500 0.073 0.000 2.343 183 R HA 0.620 4.960 4.340 0.000 0.000 0.320 183 R C -1.683 174.617 176.300 -0.000 0.000 0.956 183 R CA -0.449 55.668 56.100 0.028 0.000 0.836 183 R CB 1.816 32.129 30.300 0.022 0.000 1.151 183 R HN 0.511 nan 8.270 nan 0.000 0.450 184 V N 4.091 123.974 119.914 -0.051 0.000 2.448 184 V HA 0.354 4.474 4.120 0.000 0.000 0.295 184 V C -0.487 175.549 176.094 -0.097 0.000 1.025 184 V CA -0.674 61.579 62.300 -0.078 0.000 0.859 184 V CB 1.614 33.360 31.823 -0.129 0.000 0.988 184 V HN 0.797 nan 8.190 nan 0.000 0.431 185 E N 2.954 123.113 120.200 -0.068 0.000 2.224 185 E HA 0.747 5.097 4.350 0.000 0.000 0.265 185 E C -0.265 176.298 176.600 -0.061 0.000 0.878 185 E CA -0.268 56.096 56.400 -0.061 0.000 0.759 185 E CB 2.064 31.744 29.700 -0.035 0.000 1.164 185 E HN 0.922 nan 8.360 nan 0.000 0.414 186 G N 1.751 110.508 108.800 -0.071 0.000 2.441 186 G HA2 0.490 4.451 3.960 0.000 0.000 0.294 186 G HA3 0.490 4.451 3.960 0.000 0.000 0.294 186 G C -1.323 173.529 174.900 -0.081 0.000 1.393 186 G CA -0.327 44.734 45.100 -0.066 0.000 0.796 186 G HN 0.622 nan 8.290 nan 0.000 0.494 187 A N -0.371 122.409 122.820 -0.067 0.000 2.477 187 A HA 0.588 4.908 4.320 0.000 0.000 0.246 187 A C 0.375 177.849 177.584 -0.184 0.000 1.078 187 A CA -0.038 51.942 52.037 -0.094 0.000 0.770 187 A CB 0.018 19.025 19.000 0.011 0.000 1.011 187 A HN 0.762 nan 8.150 nan 0.000 0.494 188 L N 3.547 124.603 121.223 -0.278 0.000 2.313 188 L HA 0.427 4.767 4.340 0.000 0.000 0.282 188 L C 0.212 176.774 176.870 -0.514 0.000 1.092 188 L CA 0.035 54.636 54.840 -0.398 0.000 0.831 188 L CB 0.015 41.831 42.059 -0.404 0.000 1.159 188 L HN 0.747 nan 8.230 nan 0.000 0.442 189 I N 0.067 120.386 120.570 -0.419 0.000 3.264 189 I HA 1.013 5.183 4.170 0.000 0.000 0.315 189 I C 0.335 176.443 176.117 -0.016 0.000 1.154 189 I CA -0.427 60.663 61.300 -0.349 0.000 0.962 189 I CB 2.226 40.203 38.000 -0.038 0.000 1.265 189 I HN 0.635 nan 8.210 nan 0.000 0.463 190 G N 0.947 109.955 108.800 0.347 0.000 2.460 190 G HA2 0.428 4.388 3.960 0.000 0.000 0.207 190 G HA3 0.428 4.388 3.960 0.000 0.000 0.207 190 G C 0.185 175.396 174.900 0.518 0.000 1.170 190 G CA -0.011 45.304 45.100 0.358 0.000 1.151 190 G HN 2.510 nan 8.290 nan 0.000 0.575 191 G N -0.091 108.937 108.800 0.381 0.000 2.390 191 G HA2 0.154 4.114 3.960 0.000 0.000 0.202 191 G HA3 0.154 4.114 3.960 0.000 0.000 0.202 191 G C -0.075 175.034 174.900 0.349 0.000 1.210 191 G CA 0.748 46.123 45.100 0.458 0.000 1.271 191 G HN 1.797 nan 8.290 nan 0.000 0.543 192 N N 1.503 120.392 118.700 0.314 0.000 2.442 192 N HA 0.243 4.983 4.740 0.000 0.000 0.265 192 N C 1.574 177.189 175.510 0.174 0.000 1.138 192 N CA 0.042 53.221 53.050 0.215 0.000 0.956 192 N CB 1.309 39.895 38.487 0.165 0.000 1.067 192 N HN 0.617 nan 8.380 nan 0.000 0.474 193 L N 4.884 126.210 121.223 0.171 0.000 2.012 193 L HA -0.130 4.210 4.340 0.000 0.000 0.210 193 L C 2.003 178.959 176.870 0.144 0.000 1.073 193 L CA 2.006 56.964 54.840 0.195 0.000 0.748 193 L CB -1.053 41.185 42.059 0.299 0.000 0.891 193 L HN 0.589 nan 8.230 nan 0.000 0.431 194 T N 0.064 114.685 114.554 0.112 0.000 2.708 194 T HA -0.133 4.217 4.350 0.000 0.000 0.266 194 T C 1.911 176.656 174.700 0.074 0.000 1.037 194 T CA 1.460 63.603 62.100 0.071 0.000 1.146 194 T CB -0.601 68.286 68.868 0.032 0.000 0.865 194 T HN 0.550 nan 8.240 nan 0.000 0.435 195 A N 1.031 123.900 122.820 0.081 0.000 1.902 195 A HA 0.011 4.331 4.320 0.000 0.000 0.217 195 A C 2.300 179.946 177.584 0.104 0.000 1.181 195 A CA 1.236 53.327 52.037 0.090 0.000 0.623 195 A CB -0.784 18.264 19.000 0.080 0.000 0.818 195 A HN 0.473 nan 8.150 nan 0.000 0.443 196 L N -1.026 120.268 121.223 0.118 0.000 2.072 196 L HA -0.107 4.233 4.340 0.000 0.000 0.205 196 L C 3.085 180.024 176.870 0.114 0.000 1.079 196 L CA 0.894 55.811 54.840 0.127 0.000 0.752 196 L CB -0.552 41.598 42.059 0.152 0.000 0.906 196 L HN 0.411 nan 8.230 nan 0.000 0.436 197 A N -0.881 122.004 122.820 0.109 0.000 1.978 197 A HA -0.241 4.079 4.320 0.000 0.000 0.220 197 A C 2.215 179.854 177.584 0.093 0.000 1.170 197 A CA 1.799 53.896 52.037 0.100 0.000 0.636 197 A CB -1.167 17.891 19.000 0.097 0.000 0.810 197 A HN 0.569 nan 8.150 nan 0.000 0.448 198 C N -0.441 118.912 119.300 0.087 0.000 2.511 198 C HA 0.123 4.583 4.460 0.000 0.000 0.277 198 C C 2.115 177.163 174.990 0.097 0.000 1.451 198 C CA 0.570 59.637 59.018 0.082 0.000 1.735 198 C CB -1.159 26.626 27.740 0.074 0.000 1.704 198 C HN 0.556 nan 8.230 nan 0.000 0.571 199 M N 0.084 119.744 119.600 0.101 0.000 2.337 199 M HA 0.230 4.711 4.480 0.000 0.000 0.256 199 M C 1.130 177.486 176.300 0.094 0.000 1.075 199 M CA 0.065 55.426 55.300 0.101 0.000 1.024 199 M CB -1.087 31.578 32.600 0.107 0.000 1.429 199 M HN 0.222 nan 8.290 nan 0.000 0.497 200 A N 0.505 123.379 122.820 0.091 0.000 2.531 200 A HA 0.424 4.744 4.320 0.000 0.000 0.236 200 A C 1.490 179.121 177.584 0.079 0.000 1.062 200 A CA 1.050 53.137 52.037 0.084 0.000 0.760 200 A CB -0.440 18.612 19.000 0.087 0.000 0.995 200 A HN 0.879 nan 8.150 nan 0.000 0.501 201 G N 0.997 109.840 108.800 0.071 0.000 2.184 201 G HA2 -0.163 3.797 3.960 0.000 0.000 0.264 201 G HA3 -0.163 3.797 3.960 0.000 0.000 0.264 201 G C 0.591 175.530 174.900 0.065 0.000 0.975 201 G CA 1.437 46.576 45.100 0.065 0.000 0.642 201 G HN 2.297 nan 8.290 nan 0.000 0.536 202 T N -2.252 112.345 114.554 0.071 0.000 2.905 202 T HA 0.657 5.007 4.350 0.000 0.000 0.283 202 T C 1.849 176.595 174.700 0.076 0.000 1.031 202 T CA -0.061 62.083 62.100 0.073 0.000 1.002 202 T CB 1.491 70.408 68.868 0.082 0.000 1.200 202 T HN 1.105 nan 8.240 nan 0.000 0.560 203 L N -1.139 120.133 121.223 0.081 0.000 2.353 203 L HA 0.331 4.672 4.340 0.000 0.000 0.220 203 L C 1.707 178.639 176.870 0.104 0.000 1.133 203 L CA 1.408 56.301 54.840 0.088 0.000 0.798 203 L CB -0.813 41.307 42.059 0.102 0.000 0.922 203 L HN 0.782 nan 8.230 nan 0.000 0.445 204 G N 0.230 109.095 108.800 0.109 0.000 3.434 204 G HA2 0.316 4.276 3.960 0.000 0.000 0.258 204 G HA3 0.316 4.276 3.960 0.000 0.000 0.258 204 G C 0.736 175.705 174.900 0.115 0.000 1.128 204 G CA 0.125 45.298 45.100 0.121 0.000 0.792 204 G HN 0.503 nan 8.290 nan 0.000 0.539 205 G N 0.373 109.234 108.800 0.102 0.000 2.484 205 G HA2 0.288 4.248 3.960 0.000 0.000 0.235 205 G HA3 0.288 4.248 3.960 0.000 0.000 0.235 205 G C 0.183 175.156 174.900 0.122 0.000 1.282 205 G CA -0.451 44.709 45.100 0.101 0.000 0.857 205 G HN 0.380 nan 8.290 nan 0.000 0.571 206 L N 1.418 122.719 121.223 0.131 0.000 2.615 206 L HA 0.061 4.401 4.340 0.000 0.000 0.284 206 L C 0.638 177.608 176.870 0.167 0.000 1.237 206 L CA 0.022 54.961 54.840 0.166 0.000 0.905 206 L CB 0.038 42.187 42.059 0.150 0.000 1.149 206 L HN 0.657 nan 8.230 nan 0.000 0.499 207 H N 4.983 124.110 119.070 0.094 0.000 2.800 207 H HA 0.549 5.105 4.556 0.000 0.000 0.291 207 H C -0.440 174.908 175.328 0.034 0.000 1.076 207 H CA 0.186 56.240 56.048 0.009 0.000 1.452 207 H CB 0.609 30.325 29.762 -0.076 0.000 1.461 207 H HN 0.696 nan 8.280 nan 0.000 0.488 208 A N 7.318 129.937 122.820 -0.336 0.000 3.159 208 A HA 0.324 4.644 4.320 0.000 0.000 0.330 208 A C -2.597 174.821 177.584 -0.276 0.000 1.032 208 A CA -1.360 50.538 52.037 -0.232 0.000 0.841 208 A CB -0.261 18.692 19.000 -0.079 0.000 1.093 208 A HN 0.587 nan 8.150 nan 0.000 0.478 209 P HA 0.323 nan 4.420 nan 0.000 0.270 209 P C 0.436 177.660 177.300 -0.126 0.000 1.223 209 P CA 0.038 62.992 63.100 -0.244 0.000 0.785 209 P CB 0.651 32.215 31.700 -0.227 0.000 0.923 210 A N 1.356 124.125 122.820 -0.084 0.000 2.565 210 A HA 0.384 4.704 4.320 0.000 0.000 0.237 210 A C 1.518 179.072 177.584 -0.051 0.000 1.053 210 A CA 0.790 52.793 52.037 -0.057 0.000 0.755 210 A CB -1.423 17.552 19.000 -0.041 0.000 0.980 210 A HN 0.959 nan 8.150 nan 0.000 0.506 211 G N 1.588 110.359 108.800 -0.047 0.000 2.179 211 G HA2 -0.221 3.740 3.960 0.000 0.000 0.260 211 G HA3 -0.221 3.740 3.960 0.000 0.000 0.260 211 G C 0.559 175.422 174.900 -0.062 0.000 0.977 211 G CA 0.451 45.523 45.100 -0.046 0.000 0.641 211 G HN 1.213 nan 8.290 nan 0.000 0.533 212 S N -0.122 115.537 115.700 -0.069 0.000 2.579 212 S HA 0.505 4.975 4.470 0.000 0.000 0.275 212 S C 0.671 175.206 174.600 -0.109 0.000 1.345 212 S CA 0.041 58.189 58.200 -0.086 0.000 1.031 212 S CB 0.913 64.065 63.200 -0.080 0.000 0.892 212 S HN 0.379 nan 8.310 nan 0.000 0.529 213 I N 2.826 123.303 120.570 -0.155 0.000 2.297 213 I HA 0.194 4.364 4.170 0.000 0.000 0.291 213 I C -0.527 175.462 176.117 -0.214 0.000 1.033 213 I CA -0.503 60.677 61.300 -0.201 0.000 1.253 213 I CB 0.819 38.656 38.000 -0.272 0.000 1.396 213 I HN 0.337 nan 8.210 nan 0.000 0.476 214 L N 9.336 130.471 121.223 -0.148 0.000 2.312 214 L HA 0.339 4.679 4.340 0.000 0.000 0.287 214 L C -0.231 176.561 176.870 -0.130 0.000 1.091 214 L CA -0.034 54.745 54.840 -0.102 0.000 0.846 214 L CB 0.727 42.768 42.059 -0.029 0.000 1.219 214 L HN 0.254 nan 8.230 nan 0.000 0.439 215 V N 6.754 126.547 119.914 -0.201 0.000 2.530 215 V HA 0.345 4.465 4.120 0.000 0.000 0.282 215 V C 0.285 176.369 176.094 -0.017 0.000 1.048 215 V CA -0.324 61.849 62.300 -0.211 0.000 0.997 215 V CB 1.152 32.676 31.823 -0.498 0.000 0.987 215 V HN 0.595 nan 8.190 nan 0.000 0.477 216 L N 5.054 126.290 121.223 0.023 0.000 2.410 216 L HA 0.723 5.063 4.340 0.000 0.000 0.270 216 L C -0.625 176.278 176.870 0.054 0.000 0.983 216 L CA -0.557 54.356 54.840 0.123 0.000 0.822 216 L CB 2.232 44.418 42.059 0.211 0.000 1.285 216 L HN 0.860 nan 8.230 nan 0.000 0.409 217 E N 1.021 121.170 120.200 -0.085 0.000 2.429 217 E HA 0.792 5.142 4.350 0.000 0.000 0.276 217 E C -1.733 174.539 176.600 -0.548 0.000 0.953 217 E CA -0.702 55.382 56.400 -0.528 0.000 0.787 217 E CB 2.821 32.480 29.700 -0.068 0.000 1.307 217 E HN 0.334 nan 8.360 nan 0.000 0.458 218 D N -0.322 119.585 120.400 -0.822 0.000 2.692 218 D HA 0.576 5.216 4.640 0.000 0.000 0.303 218 D C -1.793 174.395 176.300 -0.187 0.000 1.278 218 D CA -0.485 53.347 54.000 -0.279 0.000 0.852 218 D CB 2.208 42.994 40.800 -0.024 0.000 1.375 218 D HN 0.389 nan 8.370 nan 0.000 0.453 219 V N -0.412 119.398 119.914 -0.173 0.000 2.969 219 V HA 0.587 4.707 4.120 0.000 0.000 0.304 219 V C 0.110 176.143 176.094 -0.100 0.000 1.192 219 V CA 0.566 62.760 62.300 -0.176 0.000 0.962 219 V CB 1.499 33.016 31.823 -0.512 0.000 1.045 219 V HN 0.958 nan 8.190 nan 0.000 0.428 220 G N 3.808 112.596 108.800 -0.019 0.000 2.246 220 G HA2 -0.132 3.828 3.960 0.000 0.000 0.273 220 G HA3 -0.132 3.828 3.960 0.000 0.000 0.273 220 G C -0.269 174.630 174.900 -0.003 0.000 1.055 220 G CA 0.623 45.715 45.100 -0.014 0.000 0.851 220 G HN 0.839 nan 8.290 nan 0.000 0.500 221 E N 0.103 120.329 120.200 0.044 0.000 2.272 221 E HA 0.415 4.765 4.350 0.000 0.000 0.269 221 E C -2.501 174.145 176.600 0.076 0.000 0.877 221 E CA -1.825 54.591 56.400 0.026 0.000 0.755 221 E CB 2.798 32.516 29.700 0.030 0.000 1.192 221 E HN 0.193 nan 8.360 nan 0.000 0.422 222 P HA 0.045 nan 4.420 nan 0.000 0.272 222 P C 0.519 177.901 177.300 0.136 0.000 1.230 222 P CA -0.181 62.949 63.100 0.050 0.000 0.788 222 P CB 0.782 32.493 31.700 0.017 0.000 0.949 223 Y N 0.692 120.992 120.300 0.000 0.000 2.224 223 Y HA -0.196 4.354 4.550 0.001 0.000 0.289 223 Y C 2.633 178.511 175.900 -0.037 0.000 1.146 223 Y CA 1.214 59.304 58.100 -0.017 0.000 1.182 223 Y CB -2.077 36.394 38.460 0.019 0.000 0.983 223 Y HN 0.457 nan 8.280 nan 0.000 0.524 224 Y N 0.033 120.405 120.300 0.120 0.000 2.274 224 Y HA -0.110 4.440 4.550 -0.000 0.000 0.290 224 Y C 2.183 178.092 175.900 0.017 0.000 1.145 224 Y CA 1.014 59.137 58.100 0.040 0.000 1.203 224 Y CB -0.854 37.613 38.460 0.012 0.000 0.984 224 Y HN -0.143 nan 8.280 nan 0.000 0.533 225 R N 0.599 120.660 120.500 -0.732 0.000 2.090 225 R HA 0.001 4.341 4.340 0.000 0.000 0.228 225 R C 2.231 178.415 176.300 -0.193 0.000 1.110 225 R CA 1.505 57.288 56.100 -0.527 0.000 0.973 225 R CB -0.368 29.602 30.300 -0.550 0.000 0.869 225 R HN 0.414 nan 8.270 nan 0.000 0.440 226 L N 0.480 121.626 121.223 -0.129 0.000 2.046 226 L HA -0.179 4.161 4.340 0.000 0.000 0.208 226 L C 2.613 179.364 176.870 -0.199 0.000 1.077 226 L CA 1.458 56.242 54.840 -0.092 0.000 0.747 226 L CB -0.475 41.535 42.059 -0.082 0.000 0.896 226 L HN 0.273 nan 8.230 nan 0.000 0.432 227 E N 0.640 120.712 120.200 -0.213 0.000 2.051 227 E HA -0.287 4.063 4.350 0.000 0.000 0.192 227 E C 2.366 178.894 176.600 -0.120 0.000 0.991 227 E CA 1.230 57.476 56.400 -0.256 0.000 0.799 227 E CB 0.006 29.649 29.700 -0.095 0.000 0.748 227 E HN 0.261 nan 8.360 nan 0.000 0.449 228 R N 0.156 120.640 120.500 -0.027 0.000 2.096 228 R HA -0.142 4.198 4.340 0.000 0.000 0.240 228 R C 2.416 178.763 176.300 0.078 0.000 1.139 228 R CA 1.975 58.096 56.100 0.035 0.000 0.952 228 R CB -0.252 30.065 30.300 0.029 0.000 0.854 228 R HN 0.081 nan 8.270 nan 0.000 0.436 229 S N 0.742 116.455 115.700 0.021 0.000 2.368 229 S HA -0.147 4.324 4.470 0.000 0.000 0.225 229 S C 1.696 176.331 174.600 0.058 0.000 1.030 229 S CA 1.210 59.442 58.200 0.053 0.000 0.999 229 S CB -0.293 62.934 63.200 0.044 0.000 0.844 229 S HN 0.293 nan 8.310 nan 0.000 0.459 230 L N 0.351 121.551 121.223 -0.039 0.000 2.056 230 L HA 0.016 4.356 4.340 0.000 0.000 0.207 230 L C 1.903 178.742 176.870 -0.051 0.000 1.078 230 L CA 1.605 56.382 54.840 -0.105 0.000 0.749 230 L CB -0.698 41.121 42.059 -0.400 0.000 0.901 230 L HN 0.492 nan 8.230 nan 0.000 0.433 231 W N 0.386 121.564 121.300 -0.203 0.000 2.333 231 W HA -0.312 4.348 4.660 0.001 0.000 0.316 231 W C 2.814 179.367 176.519 0.056 0.000 1.215 231 W CA 2.331 59.697 57.345 0.035 0.000 1.278 231 W CB -0.240 29.290 29.460 0.117 0.000 1.154 231 W HN 0.366 nan 8.180 nan 0.000 0.486 232 Q N -0.046 120.012 119.800 0.431 0.000 2.030 232 Q HA -0.290 4.050 4.340 0.000 0.000 0.204 232 Q C 2.245 178.300 176.000 0.090 0.000 0.986 232 Q CA 2.205 58.183 55.803 0.292 0.000 0.843 232 Q CB -0.662 28.227 28.738 0.252 0.000 0.904 232 Q HN 0.389 nan 8.270 nan 0.000 0.420 233 L N 0.497 121.768 121.223 0.080 0.000 2.017 233 L HA -0.168 4.173 4.340 0.000 0.000 0.208 233 L C 2.118 178.991 176.870 0.005 0.000 1.073 233 L CA 1.673 56.545 54.840 0.055 0.000 0.745 233 L CB -0.434 41.673 42.059 0.080 0.000 0.894 233 L HN 0.340 nan 8.230 nan 0.000 0.432 234 L N -0.976 120.230 121.223 -0.028 0.000 2.093 234 L HA -0.121 4.219 4.340 0.000 0.000 0.208 234 L C 2.462 179.243 176.870 -0.150 0.000 1.085 234 L CA 0.799 55.602 54.840 -0.061 0.000 0.755 234 L CB -0.716 41.329 42.059 -0.022 0.000 0.904 234 L HN 0.285 nan 8.230 nan 0.000 0.435 235 E N 0.105 120.133 120.200 -0.286 0.000 2.268 235 E HA -0.144 4.206 4.350 0.000 0.000 0.195 235 E C 2.224 178.727 176.600 -0.162 0.000 0.995 235 E CA 1.416 57.601 56.400 -0.357 0.000 0.836 235 E CB 0.045 29.311 29.700 -0.723 0.000 0.763 235 E HN 0.524 nan 8.360 nan 0.000 0.491 236 S N -0.044 115.607 115.700 -0.082 0.000 2.517 236 S HA 0.091 4.562 4.470 0.000 0.000 0.214 236 S C 1.171 175.763 174.600 -0.013 0.000 0.991 236 S CA -0.394 57.793 58.200 -0.022 0.000 0.906 236 S CB -0.285 62.927 63.200 0.021 0.000 0.789 236 S HN 0.258 nan 8.310 nan 0.000 0.513 237 I N -2.008 118.546 120.570 -0.026 0.000 3.264 237 I HA 0.614 4.785 4.170 0.000 0.000 0.309 237 I C -1.026 175.069 176.117 -0.036 0.000 1.099 237 I CA -1.025 60.263 61.300 -0.021 0.000 0.989 237 I CB 1.185 39.179 38.000 -0.010 0.000 1.250 237 I HN -0.251 nan 8.210 nan 0.000 0.478 238 D N 2.022 122.401 120.400 -0.035 0.000 2.558 238 D HA 0.381 5.021 4.640 0.000 0.000 0.221 238 D C 1.016 177.295 176.300 -0.035 0.000 1.143 238 D CA 0.127 54.105 54.000 -0.037 0.000 1.010 238 D CB 0.843 41.621 40.800 -0.036 0.000 1.068 238 D HN 0.669 nan 8.370 nan 0.000 0.511 239 A N 3.537 126.335 122.820 -0.036 0.000 1.933 239 A HA -0.163 4.157 4.320 0.000 0.000 0.218 239 A C 2.104 179.676 177.584 -0.020 0.000 1.175 239 A CA 0.895 52.916 52.037 -0.026 0.000 0.628 239 A CB -0.119 18.864 19.000 -0.028 0.000 0.814 239 A HN 0.462 nan 8.150 nan 0.000 0.444 240 R N -0.518 119.968 120.500 -0.024 0.000 2.237 240 R HA -0.070 4.270 4.340 0.000 0.000 0.219 240 R C 1.641 177.931 176.300 -0.017 0.000 1.080 240 R CA 1.201 57.290 56.100 -0.018 0.000 0.995 240 R CB -0.134 30.154 30.300 -0.020 0.000 0.875 240 R HN 0.659 nan 8.270 nan 0.000 0.462 241 Q N 0.220 120.006 119.800 -0.023 0.000 2.360 241 Q HA 0.146 4.486 4.340 0.000 0.000 0.202 241 Q C 0.071 176.054 176.000 -0.029 0.000 0.915 241 Q CA -0.093 55.695 55.803 -0.025 0.000 0.943 241 Q CB 0.401 29.121 28.738 -0.029 0.000 1.064 241 Q HN 0.283 nan 8.270 nan 0.000 0.511 242 L N -0.343 120.863 121.223 -0.028 0.000 2.483 242 L HA 0.018 4.358 4.340 0.000 0.000 0.275 242 L C 1.601 178.452 176.870 -0.032 0.000 1.220 242 L CA 0.033 54.853 54.840 -0.034 0.000 0.833 242 L CB 0.381 42.423 42.059 -0.027 0.000 1.102 242 L HN 0.162 nan 8.230 nan 0.000 0.490 243 G N 1.149 109.921 108.800 -0.047 0.000 2.396 243 G HA2 0.328 4.288 3.960 0.000 0.000 0.214 243 G HA3 0.328 4.288 3.960 0.000 0.000 0.214 243 G C 0.292 175.166 174.900 -0.043 0.000 1.166 243 G CA 0.866 45.936 45.100 -0.049 0.000 0.793 243 G HN 0.767 nan 8.290 nan 0.000 0.533 244 A N -1.225 121.562 122.820 -0.056 0.000 2.608 244 A HA 0.660 4.980 4.320 0.000 0.000 0.292 244 A C -1.620 175.945 177.584 -0.031 0.000 1.066 244 A CA -0.665 51.356 52.037 -0.026 0.000 0.676 244 A CB 0.730 19.677 19.000 -0.089 0.000 1.277 244 A HN 0.119 nan 8.150 nan 0.000 0.413 245 I N 0.481 121.062 120.570 0.019 0.000 2.377 245 I HA 0.487 4.657 4.170 0.000 0.000 0.293 245 I C -0.507 175.614 176.117 0.006 0.000 0.987 245 I CA -0.453 60.846 61.300 -0.002 0.000 1.185 245 I CB 1.704 39.719 38.000 0.026 0.000 1.341 245 I HN 0.627 nan 8.210 nan 0.000 0.455 246 C N 8.111 127.372 119.300 -0.066 0.000 2.356 246 C HA 0.496 4.957 4.460 0.000 0.000 0.324 246 C C -0.214 174.728 174.990 -0.080 0.000 1.167 246 C CA -0.650 58.325 59.018 -0.071 0.000 1.420 246 C CB -0.439 27.178 27.740 -0.205 0.000 2.036 246 C HN 0.655 nan 8.230 nan 0.000 0.435 247 L N 6.389 127.585 121.223 -0.046 0.000 2.319 247 L HA 0.465 4.805 4.340 0.000 0.000 0.280 247 L C 1.297 178.200 176.870 0.055 0.000 1.099 247 L CA 0.245 55.081 54.840 -0.007 0.000 0.828 247 L CB 0.737 42.741 42.059 -0.092 0.000 1.150 247 L HN 0.859 nan 8.230 nan 0.000 0.442 248 G N 1.931 110.775 108.800 0.074 0.000 2.582 248 G HA2 0.302 4.262 3.960 0.000 0.000 0.232 248 G HA3 0.302 4.262 3.960 0.000 0.000 0.232 248 G C -0.039 174.942 174.900 0.135 0.000 1.458 248 G CA -0.290 44.861 45.100 0.085 0.000 1.062 248 G HN 0.638 nan 8.290 nan 0.000 0.566 249 S N -1.398 114.350 115.700 0.079 0.000 2.601 249 S HA 0.559 5.029 4.470 0.000 0.000 0.271 249 S C -1.012 173.536 174.600 -0.086 0.000 1.305 249 S CA -0.462 57.815 58.200 0.128 0.000 1.022 249 S CB 1.052 64.328 63.200 0.126 0.000 0.940 249 S HN 0.274 nan 8.310 nan 0.000 0.525 250 F N 1.421 121.457 119.950 0.144 0.000 2.443 250 F HA 0.344 4.871 4.527 -0.000 0.000 0.369 250 F C 0.785 176.674 175.800 0.147 0.000 1.090 250 F CA -0.569 57.519 58.000 0.146 0.000 1.129 250 F CB 1.462 40.545 39.000 0.139 0.000 1.367 250 F HN 0.787 nan 8.300 nan 0.000 0.465 251 T N -1.784 112.879 114.554 0.182 0.000 2.895 251 T HA 0.322 4.672 4.350 0.000 0.000 0.283 251 T C 0.058 174.838 174.700 0.134 0.000 1.014 251 T CA -0.747 61.451 62.100 0.163 0.000 1.037 251 T CB 1.612 70.568 68.868 0.147 0.000 1.006 251 T HN 0.466 nan 8.240 nan 0.000 0.468 252 D N 0.009 120.485 120.400 0.127 0.000 2.751 252 D HA -0.143 4.497 4.640 0.000 0.000 0.233 252 D C -0.687 175.681 176.300 0.113 0.000 1.149 252 D CA 0.397 54.456 54.000 0.099 0.000 0.682 252 D CB -1.496 39.342 40.800 0.063 0.000 1.068 252 D HN 0.715 nan 8.370 nan 0.000 0.429 253 C N 2.168 121.575 119.300 0.179 0.000 2.206 253 C HA 0.316 4.776 4.460 0.000 0.000 0.324 253 C C -1.649 173.474 174.990 0.221 0.000 1.120 253 C CA -1.412 57.746 59.018 0.234 0.000 1.546 253 C CB 0.652 28.610 27.740 0.363 0.000 2.023 253 C HN 0.181 nan 8.230 nan 0.000 0.448 254 P HA 0.127 nan 4.420 nan 0.000 0.271 254 P C 0.532 177.697 177.300 -0.225 0.000 1.226 254 P CA 0.197 63.288 63.100 -0.015 0.000 0.765 254 P CB 0.771 32.464 31.700 -0.012 0.000 0.835 255 R N 3.748 124.040 120.500 -0.347 0.000 2.115 255 R HA -0.060 4.280 4.340 0.000 0.000 0.226 255 R C 0.468 176.509 176.300 -0.431 0.000 1.100 255 R CA 0.623 56.267 56.100 -0.760 0.000 0.980 255 R CB -0.296 29.756 30.300 -0.413 0.000 0.875 255 R HN 0.366 nan 8.270 nan 0.000 0.445 256 K N 1.236 121.512 120.400 -0.207 0.000 3.278 256 K HA -0.194 4.126 4.320 0.000 0.000 0.270 256 K C -0.736 175.801 176.600 -0.105 0.000 0.955 256 K CA 0.788 57.002 56.287 -0.122 0.000 0.723 256 K CB -0.760 31.684 32.500 -0.094 0.000 1.382 256 K HN 0.421 nan 8.250 nan 0.000 0.461 257 E N -3.609 116.538 120.200 -0.090 0.000 3.801 257 E HA -0.195 4.156 4.350 0.000 0.000 0.319 257 E C 0.076 176.640 176.600 -0.059 0.000 0.784 257 E CA 1.295 57.660 56.400 -0.058 0.000 1.183 257 E CB -1.910 27.764 29.700 -0.044 0.000 1.601 257 E HN 0.363 nan 8.360 nan 0.000 0.441 258 V N 1.016 120.874 119.914 -0.093 0.000 2.673 258 V HA 0.188 4.308 4.120 0.000 0.000 0.303 258 V C 1.934 178.029 176.094 0.003 0.000 1.046 258 V CA 1.025 63.292 62.300 -0.055 0.000 1.126 258 V CB 1.382 33.172 31.823 -0.054 0.000 0.934 258 V HN 0.421 nan 8.190 nan 0.000 0.487 259 A N 3.951 126.751 122.820 -0.034 0.000 2.014 259 A HA -0.016 4.304 4.320 0.000 0.000 0.218 259 A C 0.905 178.602 177.584 0.189 0.000 1.163 259 A CA 0.826 52.869 52.037 0.010 0.000 0.652 259 A CB -0.414 18.536 19.000 -0.083 0.000 0.808 259 A HN 0.924 nan 8.150 nan 0.000 0.449 260 H N -0.090 119.040 119.070 0.100 0.000 2.457 260 H HA 0.405 4.961 4.556 0.000 0.000 0.335 260 H C 0.267 175.700 175.328 0.174 0.000 1.115 260 H CA -0.438 55.673 56.048 0.106 0.000 1.219 260 H CB 1.450 31.263 29.762 0.085 0.000 1.471 260 H HN 0.390 nan 8.280 nan 0.000 0.491 261 S N 2.116 117.966 115.700 0.250 0.000 2.589 261 S HA -0.036 4.434 4.470 0.000 0.000 0.265 261 S C 1.262 175.895 174.600 0.054 0.000 1.342 261 S CA -0.705 57.620 58.200 0.210 0.000 1.005 261 S CB 0.986 64.261 63.200 0.125 0.000 0.909 261 S HN 0.524 nan 8.310 nan 0.000 0.555 262 L N 1.116 122.244 121.223 -0.158 0.000 2.083 262 L HA -0.032 4.308 4.340 0.000 0.000 0.209 262 L C 2.494 179.308 176.870 -0.092 0.000 1.083 262 L CA 1.868 56.455 54.840 -0.422 0.000 0.752 262 L CB -1.130 40.530 42.059 -0.665 0.000 0.899 262 L HN 0.897 nan 8.230 nan 0.000 0.433 263 E N -1.025 119.160 120.200 -0.025 0.000 2.150 263 E HA -0.247 4.103 4.350 0.000 0.000 0.193 263 E C 2.245 178.842 176.600 -0.004 0.000 0.985 263 E CA 0.848 57.243 56.400 -0.007 0.000 0.814 263 E CB -0.132 29.522 29.700 -0.078 0.000 0.752 263 E HN 0.437 nan 8.360 nan 0.000 0.466 264 R N 1.098 121.589 120.500 -0.015 0.000 2.081 264 R HA -0.142 4.199 4.340 0.000 0.000 0.235 264 R C 2.241 178.535 176.300 -0.010 0.000 1.131 264 R CA 1.175 57.250 56.100 -0.040 0.000 0.960 264 R CB -0.168 30.081 30.300 -0.084 0.000 0.856 264 R HN 0.116 nan 8.270 nan 0.000 0.436 265 I N 0.019 120.594 120.570 0.008 0.000 2.142 265 I HA -0.275 3.896 4.170 0.000 0.000 0.240 265 I C 1.920 178.078 176.117 0.069 0.000 1.078 265 I CA 1.352 62.669 61.300 0.029 0.000 1.343 265 I CB -0.359 37.586 38.000 -0.091 0.000 1.046 265 I HN 0.121 nan 8.210 nan 0.000 0.405 266 F N 1.119 121.045 119.950 -0.040 0.000 2.171 266 F HA -0.126 4.401 4.527 0.000 0.000 0.300 266 F C 2.520 178.336 175.800 0.027 0.000 1.090 266 F CA 1.590 59.567 58.000 -0.038 0.000 1.293 266 F CB -1.079 37.824 39.000 -0.161 0.000 1.013 266 F HN 0.028 nan 8.300 nan 0.000 0.486 267 G N -0.724 108.168 108.800 0.153 0.000 2.408 267 G HA2 -0.199 3.761 3.960 0.000 0.000 0.217 267 G HA3 -0.199 3.761 3.960 0.000 0.000 0.217 267 G C 1.559 176.491 174.900 0.053 0.000 1.150 267 G CA 0.664 45.798 45.100 0.057 0.000 0.776 267 G HN 0.341 nan 8.290 nan 0.000 0.542 268 E N -0.534 119.703 120.200 0.061 0.000 2.072 268 E HA -0.115 4.235 4.350 0.000 0.000 0.191 268 E C 2.142 178.722 176.600 -0.034 0.000 0.985 268 E CA 0.812 57.209 56.400 -0.006 0.000 0.801 268 E CB -0.186 29.495 29.700 -0.031 0.000 0.750 268 E HN 0.588 nan 8.360 nan 0.000 0.452 269 Y N 0.491 120.801 120.300 0.017 0.000 2.200 269 Y HA -0.168 4.382 4.550 0.000 0.000 0.290 269 Y C 2.387 178.302 175.900 0.024 0.000 1.137 269 Y CA 1.153 59.269 58.100 0.026 0.000 1.163 269 Y CB -0.429 38.052 38.460 0.034 0.000 0.988 269 Y HN 0.044 nan 8.280 nan 0.000 0.518 270 A N -0.090 122.835 122.820 0.176 0.000 1.933 270 A HA -0.124 4.196 4.320 0.000 0.000 0.218 270 A C 2.404 180.011 177.584 0.039 0.000 1.175 270 A CA 1.723 53.818 52.037 0.097 0.000 0.628 270 A CB -1.172 17.875 19.000 0.078 0.000 0.814 270 A HN 0.403 nan 8.150 nan 0.000 0.444 271 A N -0.179 122.652 122.820 0.018 0.000 1.930 271 A HA 0.213 4.533 4.320 0.000 0.000 0.217 271 A C 2.460 180.032 177.584 -0.020 0.000 1.175 271 A CA 1.828 53.860 52.037 -0.009 0.000 0.627 271 A CB -0.901 18.085 19.000 -0.023 0.000 0.815 271 A HN 1.026 nan 8.150 nan 0.000 0.443 272 A N 0.496 123.293 122.820 -0.039 0.000 1.972 272 A HA -0.047 4.273 4.320 0.000 0.000 0.219 272 A C 1.955 179.518 177.584 -0.034 0.000 1.169 272 A CA 1.492 53.494 52.037 -0.058 0.000 0.635 272 A CB -0.702 18.224 19.000 -0.123 0.000 0.810 272 A HN 1.016 nan 8.150 nan 0.000 0.446 273 I N -4.693 115.870 120.570 -0.012 0.000 3.883 273 I HA 0.263 4.433 4.170 0.000 0.000 0.326 273 I C -0.086 176.031 176.117 -0.001 0.000 1.283 273 I CA 0.358 61.654 61.300 -0.007 0.000 1.161 273 I CB -0.306 37.697 38.000 0.004 0.000 1.012 273 I HN 0.248 nan 8.210 nan 0.000 0.421 274 E N 0.875 121.076 120.200 0.002 0.000 2.320 274 E HA -0.136 4.214 4.350 0.000 0.000 0.234 274 E C -0.716 175.890 176.600 0.009 0.000 1.183 274 E CA 0.086 56.490 56.400 0.007 0.000 0.713 274 E CB -1.406 28.299 29.700 0.009 0.000 1.226 274 E HN 0.424 nan 8.360 nan 0.000 0.382 275 V N 0.958 120.878 119.914 0.011 0.000 2.604 275 V HA 0.422 4.543 4.120 0.000 0.000 0.305 275 V C -1.692 174.407 176.094 0.009 0.000 1.043 275 V CA -1.646 60.660 62.300 0.011 0.000 0.888 275 V CB 1.853 33.686 31.823 0.016 0.000 0.995 275 V HN 0.063 nan 8.190 nan 0.000 0.429 276 P HA 0.261 nan 4.420 nan 0.000 0.272 276 P C -1.120 176.187 177.300 0.011 0.000 1.223 276 P CA -0.339 62.750 63.100 -0.018 0.000 0.784 276 P CB 1.333 32.985 31.700 -0.080 0.000 0.923 277 L N 3.371 124.559 121.223 -0.058 0.000 2.333 277 L HA 0.480 4.820 4.340 0.000 0.000 0.280 277 L C -1.172 175.610 176.870 -0.146 0.000 1.004 277 L CA -0.841 53.981 54.840 -0.031 0.000 0.820 277 L CB 0.796 42.825 42.059 -0.050 0.000 1.247 277 L HN 0.264 nan 8.230 nan 0.000 0.416 278 Y N 3.337 123.599 120.300 -0.063 0.000 2.587 278 Y HA 0.715 5.265 4.550 0.000 0.000 0.337 278 Y C -0.074 175.848 175.900 0.038 0.000 1.065 278 Y CA -0.438 57.661 58.100 -0.001 0.000 1.126 278 Y CB 1.855 40.265 38.460 -0.083 0.000 1.279 278 Y HN 0.802 nan 8.280 nan 0.000 0.489 279 H N -3.483 115.578 119.070 -0.016 0.000 2.948 279 H HA 0.440 4.996 4.556 0.000 0.000 0.315 279 H C -1.018 174.238 175.328 -0.120 0.000 1.360 279 H CA -1.097 54.843 56.048 -0.178 0.000 1.125 279 H CB 1.224 30.744 29.762 -0.403 0.000 1.844 279 H HN 0.828 nan 8.280 nan 0.000 0.529 280 H N -1.544 117.455 119.070 -0.118 0.000 2.992 280 H HA -0.171 4.385 4.556 0.000 0.000 0.266 280 H C -0.475 174.816 175.328 -0.062 0.000 1.200 280 H CA 0.323 56.279 56.048 -0.153 0.000 1.135 280 H CB -1.106 28.455 29.762 -0.336 0.000 1.282 280 H HN 0.464 nan 8.280 nan 0.000 0.351 281 L N 3.350 124.606 121.223 0.055 0.000 2.499 281 L HA 0.140 4.480 4.340 0.000 0.000 0.273 281 L C -1.595 175.317 176.870 0.069 0.000 1.195 281 L CA -1.111 53.748 54.840 0.030 0.000 0.882 281 L CB 0.512 42.547 42.059 -0.040 0.000 1.133 281 L HN -0.085 nan 8.230 nan 0.000 0.483 282 P HA 0.095 nan 4.420 nan 0.000 0.231 282 P C -1.000 176.361 177.300 0.101 0.000 1.811 282 P CA -0.051 63.093 63.100 0.074 0.000 1.051 282 P CB 0.309 32.039 31.700 0.051 0.000 1.951 283 S N 1.047 116.822 115.700 0.125 0.000 2.572 283 S HA 0.766 5.237 4.470 0.000 0.000 0.274 283 S C -0.316 174.382 174.600 0.164 0.000 1.150 283 S CA 0.131 58.448 58.200 0.196 0.000 0.944 283 S CB 1.148 64.578 63.200 0.382 0.000 1.071 283 S HN 0.559 nan 8.310 nan 0.000 0.479 284 G N 3.402 112.252 108.800 0.085 0.000 2.302 284 G HA2 0.078 4.038 3.960 0.000 0.000 0.264 284 G HA3 0.078 4.038 3.960 0.000 0.000 0.264 284 G C -0.603 174.315 174.900 0.030 0.000 1.335 284 G CA -0.463 44.719 45.100 0.137 0.000 0.982 284 G HN 0.681 nan 8.290 nan 0.000 0.473 285 H N 0.292 119.469 119.070 0.179 0.000 2.539 285 H HA 0.385 4.941 4.556 0.000 0.000 0.267 285 H C 1.802 177.197 175.328 0.112 0.000 0.982 285 H CA 1.171 57.355 56.048 0.226 0.000 1.146 285 H CB 0.265 30.148 29.762 0.202 0.000 1.382 285 H HN 0.672 nan 8.280 nan 0.000 0.577 286 G N -0.573 108.318 108.800 0.152 0.000 2.494 286 G HA2 0.298 4.258 3.960 0.000 0.000 0.270 286 G HA3 0.298 4.258 3.960 0.000 0.000 0.270 286 G C 1.276 176.201 174.900 0.042 0.000 1.423 286 G CA 0.041 45.200 45.100 0.099 0.000 1.055 286 G HN 0.355 nan 8.290 nan 0.000 0.536 287 A N -1.512 121.330 122.820 0.037 0.000 1.972 287 A HA 0.050 4.370 4.320 0.000 0.000 0.219 287 A C 1.503 179.083 177.584 -0.007 0.000 1.169 287 A CA 0.991 53.038 52.037 0.017 0.000 0.635 287 A CB -0.266 18.750 19.000 0.026 0.000 0.810 287 A HN 0.461 nan 8.150 nan 0.000 0.446 288 Q N 0.570 120.370 119.800 0.001 0.000 2.361 288 Q HA 0.215 4.555 4.340 0.000 0.000 0.250 288 Q C -1.107 174.871 176.000 -0.037 0.000 1.023 288 Q CA -0.010 55.789 55.803 -0.007 0.000 0.915 288 Q CB 0.447 29.195 28.738 0.018 0.000 1.238 288 Q HN 0.426 nan 8.270 nan 0.000 0.451 289 N N 2.722 121.370 118.700 -0.087 0.000 2.697 289 N HA 0.074 4.814 4.740 0.000 0.000 0.253 289 N C -1.307 174.121 175.510 -0.137 0.000 1.604 289 N CA -0.303 52.643 53.050 -0.172 0.000 0.772 289 N CB 0.497 38.731 38.487 -0.422 0.000 1.267 289 N HN 0.182 nan 8.380 nan 0.000 0.510 290 R N 0.703 121.194 120.500 -0.015 0.000 2.389 290 R HA 0.447 4.787 4.340 0.000 0.000 0.295 290 R C 0.243 176.581 176.300 0.064 0.000 1.075 290 R CA -0.401 55.712 56.100 0.022 0.000 1.005 290 R CB 0.275 30.628 30.300 0.088 0.000 0.987 290 R HN 0.454 nan 8.270 nan 0.000 0.452 291 A N 4.978 127.777 122.820 -0.035 0.000 2.498 291 A HA 0.290 4.610 4.320 0.000 0.000 0.239 291 A C -0.187 177.421 177.584 0.039 0.000 1.068 291 A CA -0.127 51.840 52.037 -0.117 0.000 0.766 291 A CB 0.204 19.080 19.000 -0.207 0.000 1.003 291 A HN 0.771 nan 8.150 nan 0.000 0.497 292 W N 0.957 122.157 121.300 -0.167 0.000 3.127 292 W HA 0.565 5.225 4.660 0.000 0.000 0.330 292 W C -3.239 172.966 176.519 -0.524 0.000 1.187 292 W CA -2.725 54.312 57.345 -0.512 0.000 1.198 292 W CB 1.295 30.492 29.460 -0.439 0.000 1.408 292 W HN 0.438 nan 8.180 nan 0.000 0.529 293 P HA 0.080 nan 4.420 nan 0.000 0.282 293 P C -1.195 176.035 177.300 -0.116 0.000 1.274 293 P CA 0.263 63.140 63.100 -0.371 0.000 0.770 293 P CB 0.850 32.204 31.700 -0.576 0.000 0.867 294 Y N 3.233 123.444 120.300 -0.148 0.000 2.393 294 Y HA 0.378 4.928 4.550 0.000 0.000 0.338 294 Y C 1.602 177.408 175.900 -0.156 0.000 1.029 294 Y CA 1.581 59.653 58.100 -0.048 0.000 1.239 294 Y CB 0.288 38.676 38.460 -0.121 0.000 1.170 294 Y HN 0.817 nan 8.280 nan 0.000 0.515 295 G N 3.843 112.305 108.800 -0.563 0.000 2.176 295 G HA2 -0.256 3.704 3.960 0.000 0.000 0.253 295 G HA3 -0.256 3.704 3.960 0.000 0.000 0.253 295 G C 0.198 174.852 174.900 -0.410 0.000 0.979 295 G CA -0.055 44.519 45.100 -0.877 0.000 0.641 295 G HN 0.541 nan 8.290 nan 0.000 0.530 296 K N 0.603 120.859 120.400 -0.240 0.000 2.090 296 K HA 0.498 4.818 4.320 0.000 0.000 0.250 296 K C 0.317 176.862 176.600 -0.092 0.000 1.004 296 K CA -0.189 56.026 56.287 -0.120 0.000 0.919 296 K CB 0.578 33.018 32.500 -0.101 0.000 1.045 296 K HN 0.088 nan 8.250 nan 0.000 0.471 297 T N 1.332 115.870 114.554 -0.026 0.000 2.870 297 T HA 0.346 4.697 4.350 0.000 0.000 0.300 297 T C -0.281 174.433 174.700 0.024 0.000 0.989 297 T CA -0.314 61.779 62.100 -0.011 0.000 1.139 297 T CB 0.914 69.787 68.868 0.008 0.000 0.920 297 T HN 0.634 nan 8.240 nan 0.000 0.537 298 A N 2.746 125.566 122.820 0.001 0.000 2.532 298 A HA 0.836 5.156 4.320 0.000 0.000 0.290 298 A C -1.177 176.393 177.584 -0.023 0.000 1.143 298 A CA -0.710 51.355 52.037 0.048 0.000 0.728 298 A CB 1.574 20.622 19.000 0.080 0.000 1.317 298 A HN 0.619 nan 8.150 nan 0.000 0.414 299 V N 0.874 120.773 119.914 -0.024 0.000 2.531 299 V HA 0.382 4.502 4.120 0.000 0.000 0.301 299 V C -0.653 175.368 176.094 -0.120 0.000 1.034 299 V CA -0.273 61.985 62.300 -0.069 0.000 0.865 299 V CB 1.469 33.268 31.823 -0.041 0.000 0.995 299 V HN 0.699 nan 8.190 nan 0.000 0.424 300 L N 5.918 127.023 121.223 -0.196 0.000 2.295 300 L HA 0.519 4.860 4.340 0.000 0.000 0.288 300 L C 0.240 177.031 176.870 -0.131 0.000 1.079 300 L CA 0.146 54.819 54.840 -0.278 0.000 0.830 300 L CB 0.401 42.084 42.059 -0.626 0.000 1.200 300 L HN 0.821 nan 8.230 nan 0.000 0.438 301 E N 2.410 122.569 120.200 -0.068 0.000 2.292 301 E HA 0.653 5.003 4.350 0.000 0.000 0.272 301 E C 0.396 177.010 176.600 0.024 0.000 0.881 301 E CA -0.510 55.887 56.400 -0.005 0.000 0.754 301 E CB 1.914 31.605 29.700 -0.014 0.000 1.201 301 E HN 0.516 nan 8.360 nan 0.000 0.425 302 G N 4.294 113.131 108.800 0.061 0.000 2.660 302 G HA2 -0.450 3.510 3.960 0.000 0.000 0.321 302 G HA3 -0.450 3.510 3.960 0.000 0.000 0.321 302 G C 0.458 175.409 174.900 0.084 0.000 1.246 302 G CA 0.968 46.108 45.100 0.065 0.000 1.000 302 G HN 0.936 nan 8.290 nan 0.000 0.550 303 N N 1.217 119.947 118.700 0.050 0.000 2.238 303 N HA 0.257 4.997 4.740 0.000 0.000 0.222 303 N C 0.562 176.085 175.510 0.021 0.000 1.133 303 N CA 0.796 53.877 53.050 0.052 0.000 0.854 303 N CB 0.131 38.638 38.487 0.033 0.000 1.041 303 N HN 1.147 nan 8.380 nan 0.000 0.510 304 R N -1.510 118.988 120.500 -0.004 0.000 2.764 304 R HA 0.595 4.936 4.340 0.000 0.000 0.270 304 R C -1.734 174.515 176.300 -0.085 0.000 1.014 304 R CA -1.140 54.929 56.100 -0.050 0.000 0.904 304 R CB 0.715 30.969 30.300 -0.078 0.000 1.236 304 R HN 0.012 nan 8.270 nan 0.000 0.466 305 L N 1.445 122.609 121.223 -0.099 0.000 2.287 305 L HA 0.554 4.894 4.340 0.000 0.000 0.287 305 L C -0.761 176.062 176.870 -0.079 0.000 1.022 305 L CA -0.306 54.478 54.840 -0.094 0.000 0.814 305 L CB 1.299 43.311 42.059 -0.078 0.000 1.217 305 L HN 0.743 nan 8.230 nan 0.000 0.420 306 R N 4.633 125.100 120.500 -0.056 0.000 2.561 306 R HA 0.569 4.909 4.340 0.000 0.000 0.297 306 R C -1.676 174.655 176.300 0.052 0.000 0.969 306 R CA -0.636 55.388 56.100 -0.126 0.000 0.879 306 R CB 1.258 31.497 30.300 -0.101 0.000 1.178 306 R HN 0.805 nan 8.270 nan 0.000 0.445 307 W N 0.000 121.317 121.300 0.028 0.000 2.388 307 W HA 0.000 4.660 4.660 0.000 0.000 0.303 307 W CA 0.000 57.355 57.345 0.016 0.000 1.226 307 W CB 0.000 29.469 29.460 0.016 0.000 1.126 307 W HN 0.000 nan 8.180 nan 0.000 0.535