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 1zrs_1_B DATA FIRST_RESID 7 DATA SEQUENCE SDQTWQPIDG RVALIAPASA IATEVLEATL RQLEVHGVDY HLGRHVEARY DATA SEQUENCE RYLAGTVEQR LEDLHNAFDM PDITAVWCLR GGYGCGQLLP GLDWGRLEAA DATA SEQUENCE SPRPLIGFSD 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 0.031 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 0.039 0.000 0.593 8 D N 2.426 122.839 120.400 0.023 0.000 2.349 8 D HA 0.085 4.725 4.640 0.000 0.000 0.215 8 D C 1.111 177.434 176.300 0.039 0.000 1.016 8 D CA 0.619 54.627 54.000 0.014 0.000 0.870 8 D CB 0.042 40.840 40.800 -0.004 0.000 0.917 8 D HN 0.475 nan 8.370 nan 0.000 0.524 9 Q N -0.275 119.571 119.800 0.077 0.000 2.425 9 Q HA 0.167 4.507 4.340 0.000 0.000 0.204 9 Q C -0.095 176.044 176.000 0.233 0.000 0.933 9 Q CA 0.452 56.339 55.803 0.139 0.000 0.939 9 Q CB 0.501 29.319 28.738 0.132 0.000 1.044 9 Q HN 0.105 nan 8.270 nan 0.000 0.513 10 T N 1.198 115.858 114.554 0.178 0.000 2.737 10 T HA 0.110 4.460 4.350 0.000 0.000 0.296 10 T C -0.674 174.182 174.700 0.259 0.000 0.922 10 T CA -0.460 61.776 62.100 0.225 0.000 1.079 10 T CB 0.157 69.108 68.868 0.138 0.000 0.892 10 T HN 0.146 nan 8.240 nan 0.000 0.514 11 W N 2.583 123.893 121.300 0.017 0.000 2.150 11 W HA 0.283 4.943 4.660 -0.000 0.000 0.341 11 W C 0.735 177.260 176.519 0.011 0.000 1.276 11 W CA -0.633 56.696 57.345 -0.027 0.000 1.238 11 W CB 0.282 29.677 29.460 -0.110 0.000 1.128 11 W HN 0.378 nan 8.180 nan 0.000 0.581 12 Q N 2.267 122.171 119.800 0.173 0.000 2.222 12 Q HA 0.341 4.681 4.340 0.000 0.000 0.252 12 Q C -2.005 174.100 176.000 0.176 0.000 0.926 12 Q CA -2.139 53.744 55.803 0.132 0.000 0.899 12 Q CB 0.387 29.159 28.738 0.056 0.000 1.250 12 Q HN 0.055 nan 8.270 nan 0.000 0.441 13 P HA 0.092 nan 4.420 nan 0.000 0.266 13 P C -0.455 176.919 177.300 0.123 0.000 1.195 13 P CA 0.319 63.507 63.100 0.147 0.000 0.768 13 P CB 0.409 32.171 31.700 0.103 0.000 0.838 14 I N 2.937 123.593 120.570 0.144 0.000 2.304 14 I HA 0.150 4.320 4.170 0.000 0.000 0.291 14 I C 0.327 176.495 176.117 0.085 0.000 1.018 14 I CA -0.623 60.740 61.300 0.106 0.000 1.260 14 I CB 0.614 38.698 38.000 0.140 0.000 1.390 14 I HN 0.160 nan 8.210 nan 0.000 0.475 15 D N 5.876 126.310 120.400 0.056 0.000 2.424 15 D HA 0.329 4.969 4.640 0.000 0.000 0.244 15 D C 0.804 177.128 176.300 0.041 0.000 1.134 15 D CA 0.915 54.942 54.000 0.044 0.000 0.881 15 D CB 1.238 42.057 40.800 0.031 0.000 1.191 15 D HN 0.847 nan 8.370 nan 0.000 0.445 16 G N 2.275 111.097 108.800 0.036 0.000 2.525 16 G HA2 -0.267 3.693 3.960 0.000 0.000 0.248 16 G HA3 -0.267 3.693 3.960 0.000 0.000 0.248 16 G C -0.176 174.751 174.900 0.045 0.000 1.238 16 G CA -0.147 44.970 45.100 0.028 0.000 0.926 16 G HN 0.695 nan 8.290 nan 0.000 0.574 17 R N -1.156 119.370 120.500 0.043 0.000 2.740 17 R HA 0.634 4.974 4.340 0.000 0.000 0.282 17 R C -0.743 175.617 176.300 0.101 0.000 0.969 17 R CA -0.726 55.416 56.100 0.070 0.000 0.918 17 R CB 1.975 32.300 30.300 0.041 0.000 1.175 17 R HN 0.586 nan 8.270 nan 0.000 0.464 18 V N 3.348 123.365 119.914 0.172 0.000 2.370 18 V HA 0.458 4.578 4.120 0.000 0.000 0.279 18 V C 0.092 176.317 176.094 0.219 0.000 1.029 18 V CA -0.745 61.675 62.300 0.201 0.000 0.870 18 V CB 1.244 33.248 31.823 0.301 0.000 0.984 18 V HN 0.913 nan 8.190 nan 0.000 0.451 19 A N 6.662 129.577 122.820 0.158 0.000 2.366 19 A HA 0.733 5.053 4.320 0.000 0.000 0.272 19 A C -0.463 177.192 177.584 0.118 0.000 1.135 19 A CA -0.296 51.833 52.037 0.155 0.000 0.804 19 A CB 0.108 19.173 19.000 0.108 0.000 1.064 19 A HN 0.821 nan 8.150 nan 0.000 0.499 20 L N 4.074 125.333 121.223 0.059 0.000 2.287 20 L HA 0.653 4.993 4.340 0.000 0.000 0.287 20 L C -0.116 176.729 176.870 -0.041 0.000 1.022 20 L CA -0.315 54.521 54.840 -0.007 0.000 0.814 20 L CB 0.991 42.992 42.059 -0.097 0.000 1.217 20 L HN 0.769 nan 8.230 nan 0.000 0.420 21 I N 0.135 120.690 120.570 -0.024 0.000 2.969 21 I HA 0.913 5.083 4.170 0.000 0.000 0.307 21 I C -0.607 175.487 176.117 -0.039 0.000 1.149 21 I CA -0.910 60.374 61.300 -0.027 0.000 1.008 21 I CB 2.507 40.508 38.000 0.001 0.000 1.232 21 I HN 0.521 nan 8.210 nan 0.000 0.435 22 A N 4.182 126.979 122.820 -0.038 0.000 2.842 22 A HA 0.625 4.945 4.320 0.000 0.000 0.339 22 A C -2.183 175.372 177.584 -0.048 0.000 1.177 22 A CA -1.200 50.810 52.037 -0.045 0.000 0.797 22 A CB -0.091 18.887 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 0.683 177.922 177.300 -0.102 0.000 1.248 23 P CA 1.151 64.201 63.100 -0.083 0.000 0.807 23 P CB 0.822 32.466 31.700 -0.092 0.000 1.150 24 A N -0.296 122.469 122.820 -0.091 0.000 2.751 24 A HA 0.534 4.854 4.320 0.000 0.000 0.201 24 A C 0.332 177.886 177.584 -0.051 0.000 1.619 24 A CA 0.037 52.008 52.037 -0.110 0.000 1.607 24 A CB -0.395 18.538 19.000 -0.113 0.000 1.580 24 A HN -0.014 nan 8.150 nan 0.000 0.499 25 S N 0.410 116.101 115.700 -0.015 0.000 2.601 25 S HA 0.557 5.027 4.470 0.000 0.000 0.271 25 S C 0.451 175.069 174.600 0.030 0.000 1.305 25 S CA -0.021 58.207 58.200 0.047 0.000 1.022 25 S CB 1.097 64.330 63.200 0.054 0.000 0.940 25 S HN 1.055 nan 8.310 nan 0.000 0.525 26 A N 2.629 125.483 122.820 0.057 0.000 2.466 26 A HA 0.399 4.719 4.320 0.000 0.000 0.238 26 A C -0.050 177.544 177.584 0.018 0.000 1.074 26 A CA -0.076 51.982 52.037 0.036 0.000 0.774 26 A CB -0.115 18.914 19.000 0.049 0.000 1.015 26 A HN 0.634 nan 8.150 nan 0.000 0.498 27 I N 0.842 121.413 120.570 0.001 0.000 2.441 27 I HA 0.453 4.623 4.170 0.000 0.000 0.295 27 I C 0.784 176.894 176.117 -0.011 0.000 0.994 27 I CA -0.511 60.781 61.300 -0.015 0.000 1.144 27 I CB 0.811 38.790 38.000 -0.036 0.000 1.314 27 I HN 0.722 nan 8.210 nan 0.000 0.445 28 A N 4.326 127.139 122.820 -0.012 0.000 2.440 28 A HA 0.342 4.662 4.320 0.000 0.000 0.251 28 A C 1.303 178.874 177.584 -0.021 0.000 1.089 28 A CA -0.057 51.974 52.037 -0.011 0.000 0.779 28 A CB 0.084 19.079 19.000 -0.008 0.000 1.022 28 A HN 0.862 nan 8.150 nan 0.000 0.492 29 T N 1.185 115.729 114.554 -0.017 0.000 2.684 29 T HA -0.197 4.153 4.350 0.000 0.000 0.267 29 T C 1.750 176.434 174.700 -0.028 0.000 1.036 29 T CA 2.057 64.144 62.100 -0.022 0.000 1.148 29 T CB -0.272 68.587 68.868 -0.015 0.000 0.863 29 T HN 0.933 nan 8.240 nan 0.000 0.436 30 E N 1.056 121.242 120.200 -0.023 0.000 2.150 30 E HA -0.082 4.269 4.350 0.000 0.000 0.193 30 E C 2.074 178.655 176.600 -0.033 0.000 0.985 30 E CA 0.959 57.345 56.400 -0.024 0.000 0.814 30 E CB -0.469 29.221 29.700 -0.017 0.000 0.752 30 E HN 0.328 nan 8.360 nan 0.000 0.466 31 V N 1.211 121.104 119.914 -0.035 0.000 2.453 31 V HA -0.192 3.929 4.120 0.000 0.000 0.247 31 V C 2.349 178.402 176.094 -0.069 0.000 1.048 31 V CA 1.303 63.576 62.300 -0.045 0.000 1.049 31 V CB -0.439 31.361 31.823 -0.037 0.000 0.672 31 V HN 0.230 nan 8.190 nan 0.000 0.457 32 L N 0.401 121.581 121.223 -0.072 0.000 1.994 32 L HA -0.138 4.202 4.340 0.000 0.000 0.208 32 L C 2.513 179.320 176.870 -0.105 0.000 1.071 32 L CA 2.004 56.785 54.840 -0.099 0.000 0.745 32 L CB -0.826 41.182 42.059 -0.086 0.000 0.892 32 L HN 0.246 nan 8.230 nan 0.000 0.431 33 E N 0.052 120.209 120.200 -0.072 0.000 2.110 33 E HA -0.176 4.174 4.350 0.000 0.000 0.193 33 E C 2.212 178.772 176.600 -0.067 0.000 0.988 33 E CA 1.338 57.700 56.400 -0.062 0.000 0.804 33 E CB -0.585 29.093 29.700 -0.038 0.000 0.745 33 E HN 0.641 nan 8.360 nan 0.000 0.458 34 A N 0.716 123.498 122.820 -0.063 0.000 1.930 34 A HA -0.137 4.183 4.320 0.000 0.000 0.217 34 A C 2.440 179.975 177.584 -0.081 0.000 1.175 34 A CA 1.914 53.915 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 0.695 115.182 114.554 -0.112 0.000 2.684 35 T HA -0.115 4.235 4.350 0.000 0.000 0.267 35 T C 1.797 176.380 174.700 -0.195 0.000 1.036 35 T CA 1.561 63.564 62.100 -0.161 0.000 1.148 35 T CB -0.407 68.333 68.868 -0.214 0.000 0.863 35 T HN 0.390 nan 8.240 nan 0.000 0.436 36 L N 0.332 121.423 121.223 -0.219 0.000 2.083 36 L HA -0.073 4.267 4.340 0.000 0.000 0.209 36 L C 2.960 179.777 176.870 -0.089 0.000 1.083 36 L CA 1.021 55.700 54.840 -0.268 0.000 0.752 36 L CB -0.502 41.420 42.059 -0.229 0.000 0.899 36 L HN 0.082 nan 8.230 nan 0.000 0.433 37 R N -0.012 120.450 120.500 -0.063 0.000 2.081 37 R HA -0.114 4.226 4.340 0.000 0.000 0.235 37 R C 2.231 178.496 176.300 -0.060 0.000 1.131 37 R CA 0.979 57.056 56.100 -0.038 0.000 0.960 37 R CB -0.587 29.687 30.300 -0.042 0.000 0.856 37 R HN 0.415 nan 8.270 nan 0.000 0.436 38 Q N 0.651 120.408 119.800 -0.073 0.000 2.119 38 Q HA 0.005 4.345 4.340 0.000 0.000 0.201 38 Q C 2.383 178.351 176.000 -0.054 0.000 0.972 38 Q CA 0.940 56.695 55.803 -0.081 0.000 0.847 38 Q CB -0.302 28.419 28.738 -0.028 0.000 0.903 38 Q HN 0.343 nan 8.270 nan 0.000 0.433 39 L N 0.510 121.721 121.223 -0.020 0.000 2.079 39 L HA -0.215 4.125 4.340 0.000 0.000 0.210 39 L C 2.181 179.109 176.870 0.097 0.000 1.081 39 L CA 1.271 56.150 54.840 0.065 0.000 0.752 39 L CB -0.308 41.777 42.059 0.043 0.000 0.896 39 L HN 0.267 nan 8.230 nan 0.000 0.433 40 E N -0.613 119.637 120.200 0.083 0.000 2.106 40 E HA -0.177 4.173 4.350 0.000 0.000 0.192 40 E C 2.277 178.851 176.600 -0.043 0.000 0.984 40 E CA 0.987 57.427 56.400 0.067 0.000 0.806 40 E CB -0.058 29.688 29.700 0.077 0.000 0.750 40 E HN 0.209 nan 8.360 nan 0.000 0.458 41 V N 0.880 120.708 119.914 -0.143 0.000 2.324 41 V HA -0.287 3.834 4.120 0.000 0.000 0.250 41 V C 1.431 177.303 176.094 -0.370 0.000 1.060 41 V CA 2.126 64.251 62.300 -0.292 0.000 1.042 41 V CB -0.511 31.035 31.823 -0.461 0.000 0.650 41 V HN 0.352 nan 8.190 nan 0.000 0.450 42 H N -0.695 118.218 119.070 -0.261 0.000 2.533 42 H HA 0.339 4.895 4.556 0.000 0.000 0.271 42 H C 1.651 176.926 175.328 -0.088 0.000 1.000 42 H CA 0.498 56.361 56.048 -0.309 0.000 1.149 42 H CB 0.003 29.322 29.762 -0.738 0.000 1.375 42 H HN 0.511 nan 8.280 nan 0.000 0.582 43 G N 0.820 109.647 108.800 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 0.369 45.510 45.100 0.068 0.000 0.736 43 G HN 0.242 nan 8.290 nan 0.000 0.513 44 V N 0.912 120.934 119.914 0.181 0.000 2.427 44 V HA 0.335 4.455 4.120 0.000 0.000 0.268 44 V C 0.491 176.719 176.094 0.223 0.000 1.046 44 V CA -0.566 61.881 62.300 0.245 0.000 0.970 44 V CB 1.530 33.568 31.823 0.357 0.000 1.001 44 V HN 0.355 nan 8.190 nan 0.000 0.476 45 D N 4.494 124.978 120.400 0.139 0.000 2.312 45 D HA 0.364 5.004 4.640 0.000 0.000 0.252 45 D C -0.618 175.751 176.300 0.116 0.000 1.150 45 D CA 0.096 54.114 54.000 0.029 0.000 0.870 45 D CB 0.678 41.479 40.800 0.002 0.000 1.153 45 D HN 0.529 nan 8.370 nan 0.000 0.457 46 Y N 0.338 120.689 120.300 0.085 0.000 2.605 46 Y HA 0.479 5.030 4.550 0.001 0.000 0.343 46 Y C -0.882 175.099 175.900 0.134 0.000 1.036 46 Y CA -1.210 56.951 58.100 0.102 0.000 1.065 46 Y CB 1.143 39.650 38.460 0.078 0.000 1.288 46 Y HN 0.367 nan 8.280 nan 0.000 0.481 47 H N 3.002 122.210 119.070 0.229 0.000 2.587 47 H HA 0.453 5.009 4.556 0.001 0.000 0.325 47 H C -1.787 173.661 175.328 0.201 0.000 1.012 47 H CA -0.927 55.210 56.048 0.148 0.000 1.213 47 H CB 1.728 31.531 29.762 0.068 0.000 1.431 47 H HN 0.786 nan 8.280 nan 0.000 0.492 48 L N 5.383 126.571 121.223 -0.059 0.000 2.265 48 L HA 0.342 4.682 4.340 0.000 0.000 0.288 48 L C 0.639 177.291 176.870 -0.363 0.000 1.058 48 L CA 0.037 54.805 54.840 -0.121 0.000 0.809 48 L CB 0.879 42.953 42.059 0.025 0.000 1.179 48 L HN 0.809 nan 8.230 nan 0.000 0.429 49 G N 4.213 112.844 108.800 -0.280 0.000 2.491 49 G HA2 0.102 4.062 3.960 0.000 0.000 0.238 49 G HA3 0.102 4.062 3.960 0.000 0.000 0.238 49 G C 0.777 175.572 174.900 -0.176 0.000 1.277 49 G CA -0.072 44.889 45.100 -0.231 0.000 0.851 49 G HN 0.938 nan 8.290 nan 0.000 0.573 50 R N 0.062 120.445 120.500 -0.194 0.000 2.235 50 R HA 0.009 4.349 4.340 0.000 0.000 0.213 50 R C 0.572 176.622 176.300 -0.417 0.000 1.059 50 R CA 1.278 57.200 56.100 -0.297 0.000 0.997 50 R CB -0.075 30.024 30.300 -0.335 0.000 0.884 50 R HN 0.654 nan 8.270 nan 0.000 0.462 51 H N 0.240 119.286 119.070 -0.040 0.000 2.528 51 H HA 0.117 4.673 4.556 0.000 0.000 0.282 51 H C 1.483 176.787 175.328 -0.040 0.000 1.097 51 H CA 0.102 56.129 56.048 -0.035 0.000 1.121 51 H CB 1.294 31.035 29.762 -0.034 0.000 1.590 51 H HN 0.129 nan 8.280 nan 0.000 0.553 52 V N -1.388 118.535 119.914 0.015 0.000 2.720 52 V HA -0.154 3.966 4.120 0.000 0.000 0.256 52 V C 1.240 177.331 176.094 -0.005 0.000 1.082 52 V CA 1.624 63.918 62.300 -0.009 0.000 1.101 52 V CB -0.047 31.744 31.823 -0.053 0.000 0.693 52 V HN 0.407 nan 8.190 nan 0.000 0.479 53 E N 1.048 121.250 120.200 0.003 0.000 2.463 53 E HA 0.459 4.809 4.350 0.000 0.000 0.193 53 E C 1.076 177.692 176.600 0.026 0.000 1.041 53 E CA 0.315 56.717 56.400 0.004 0.000 0.879 53 E CB 0.468 30.165 29.700 -0.006 0.000 0.997 53 E HN 0.753 nan 8.360 nan 0.000 0.478 54 A N 1.850 124.700 122.820 0.050 0.000 2.425 54 A HA 0.304 4.624 4.320 0.000 0.000 0.242 54 A C 0.112 177.725 177.584 0.049 0.000 1.077 54 A CA 0.185 52.258 52.037 0.061 0.000 0.781 54 A CB 0.365 19.412 19.000 0.078 0.000 1.020 54 A HN 0.113 nan 8.150 nan 0.000 0.494 55 R N -0.167 120.368 120.500 0.059 0.000 2.574 55 R HA 0.450 4.790 4.340 0.000 0.000 0.288 55 R C -2.137 174.231 176.300 0.113 0.000 1.004 55 R CA -0.459 55.676 56.100 0.059 0.000 0.895 55 R CB 1.998 32.315 30.300 0.029 0.000 1.191 55 R HN 0.727 nan 8.270 nan 0.000 0.444 56 Y N 4.707 124.964 120.300 -0.072 0.000 2.317 56 Y HA 0.164 4.715 4.550 0.001 0.000 0.329 56 Y C 0.351 176.140 175.900 -0.185 0.000 1.101 56 Y CA -0.615 57.423 58.100 -0.103 0.000 1.228 56 Y CB 0.423 38.828 38.460 -0.092 0.000 1.123 56 Y HN 0.836 nan 8.280 nan 0.000 0.457 57 R N 1.510 121.723 120.500 -0.478 0.000 3.682 57 R HA -0.405 3.935 4.340 0.000 0.000 0.519 57 R C -0.026 176.079 176.300 -0.326 0.000 0.241 57 R CA 2.379 58.175 56.100 -0.506 0.000 1.619 57 R CB -1.700 28.100 30.300 -0.835 0.000 0.923 57 R HN 0.699 nan 8.270 nan 0.000 0.598 58 Y N 0.707 121.010 120.300 0.006 0.000 2.529 58 Y HA 0.501 5.051 4.550 -0.000 0.000 0.290 58 Y C 1.063 176.995 175.900 0.053 0.000 1.177 58 Y CA -0.482 57.638 58.100 0.034 0.000 1.305 58 Y CB -0.178 38.312 38.460 0.050 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 0.123 0.000 2.418 59 L HA 0.525 4.865 4.340 0.000 0.000 0.265 59 L C 0.796 177.713 176.870 0.079 0.000 1.143 59 L CA -0.877 54.043 54.840 0.132 0.000 0.809 59 L CB 0.904 43.037 42.059 0.124 0.000 1.124 59 L HN 0.161 nan 8.230 nan 0.000 0.456 60 A N 2.533 125.378 122.820 0.042 0.000 3.063 60 A HA 0.533 4.853 4.320 0.000 0.000 0.263 60 A C 0.804 178.395 177.584 0.011 0.000 1.736 60 A CA 0.453 52.504 52.037 0.023 0.000 1.408 60 A CB -1.463 17.537 19.000 0.000 0.000 1.108 60 A HN 0.990 nan 8.150 nan 0.000 0.621 61 G N 0.309 109.131 108.800 0.037 0.000 2.757 61 G HA2 0.118 4.078 3.960 0.000 0.000 0.638 61 G HA3 0.118 4.078 3.960 0.000 0.000 0.638 61 G C 0.113 174.950 174.900 -0.104 0.000 1.344 61 G CA -0.234 44.856 45.100 -0.017 0.000 0.855 61 G HN 1.842 nan 8.290 nan 0.000 0.537 62 T N -2.057 112.325 114.554 -0.287 0.000 2.802 62 T HA 0.434 4.784 4.350 0.000 0.000 0.305 62 T C 1.842 176.391 174.700 -0.252 0.000 1.053 62 T CA 0.418 62.261 62.100 -0.428 0.000 1.058 62 T CB 1.305 69.867 68.868 -0.509 0.000 0.988 62 T HN 1.496 nan 8.240 nan 0.000 0.539 63 V N 1.725 121.510 119.914 -0.213 0.000 2.324 63 V HA -0.173 3.948 4.120 0.000 0.000 0.250 63 V C 2.779 178.780 176.094 -0.154 0.000 1.060 63 V CA 2.316 64.526 62.300 -0.150 0.000 1.042 63 V CB -1.141 30.615 31.823 -0.112 0.000 0.650 63 V HN 0.884 nan 8.190 nan 0.000 0.450 64 E N -0.152 119.944 120.200 -0.174 0.000 2.077 64 E HA -0.224 4.126 4.350 0.000 0.000 0.193 64 E C 2.291 178.770 176.600 -0.202 0.000 0.989 64 E CA 1.285 57.593 56.400 -0.154 0.000 0.800 64 E CB -0.319 29.292 29.700 -0.149 0.000 0.746 64 E HN 0.668 nan 8.360 nan 0.000 0.452 65 Q N 0.054 119.667 119.800 -0.310 0.000 2.050 65 Q HA -0.093 4.247 4.340 0.000 0.000 0.202 65 Q C 2.265 178.100 176.000 -0.274 0.000 0.980 65 Q CA 1.258 56.745 55.803 -0.526 0.000 0.840 65 Q CB -0.117 28.240 28.738 -0.634 0.000 0.898 65 Q HN 0.171 nan 8.270 nan 0.000 0.424 66 R N 0.230 120.625 120.500 -0.176 0.000 2.075 66 R HA -0.075 4.265 4.340 0.000 0.000 0.232 66 R C 2.315 178.549 176.300 -0.109 0.000 1.126 66 R CA 0.931 56.967 56.100 -0.106 0.000 0.963 66 R CB -0.258 29.977 30.300 -0.108 0.000 0.858 66 R HN 0.229 nan 8.270 nan 0.000 0.435 67 L N 0.479 121.624 121.223 -0.129 0.000 2.046 67 L HA -0.187 4.153 4.340 0.000 0.000 0.208 67 L C 2.523 179.354 176.870 -0.065 0.000 1.077 67 L CA 1.351 56.093 54.840 -0.162 0.000 0.747 67 L CB -0.365 41.651 42.059 -0.072 0.000 0.896 67 L HN 0.270 nan 8.230 nan 0.000 0.432 68 E N 0.154 120.368 120.200 0.022 0.000 2.058 68 E HA -0.260 4.090 4.350 0.000 0.000 0.194 68 E C 1.664 178.342 176.600 0.130 0.000 0.997 68 E CA 1.648 58.119 56.400 0.117 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 0.127 120.594 120.400 0.112 0.000 2.117 69 D HA -0.146 4.494 4.640 0.000 0.000 0.198 69 D C 1.807 178.151 176.300 0.073 0.000 0.982 69 D CA 0.482 54.542 54.000 0.102 0.000 0.828 69 D CB -0.208 40.642 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 2.027 70 L HA -0.130 4.210 4.340 0.000 0.000 0.206 70 L C 1.835 178.765 176.870 0.099 0.000 1.074 70 L CA 1.934 56.779 54.840 0.009 0.000 0.745 70 L CB -1.048 40.923 42.059 -0.146 0.000 0.898 70 L HN 0.158 nan 8.230 nan 0.000 0.433 71 H N -0.968 118.166 119.070 0.107 0.000 2.353 71 H HA -0.156 4.400 4.556 0.000 0.000 0.300 71 H C 2.168 177.600 175.328 0.172 0.000 1.090 71 H CA 1.528 57.637 56.048 0.101 0.000 1.327 71 H CB -0.064 29.701 29.762 0.005 0.000 1.383 71 H HN 0.457 nan 8.280 nan 0.000 0.508 72 N N 1.121 119.972 118.700 0.251 0.000 2.166 72 N HA -0.155 4.585 4.740 0.000 0.000 0.186 72 N C 1.963 177.600 175.510 0.212 0.000 1.019 72 N CA 1.049 54.226 53.050 0.212 0.000 0.856 72 N CB -0.069 38.538 38.487 0.201 0.000 0.993 72 N HN 0.379 nan 8.380 nan 0.000 0.426 73 A N -0.267 122.684 122.820 0.219 0.000 2.070 73 A HA -0.063 4.257 4.320 0.000 0.000 0.220 73 A C 1.538 179.083 177.584 -0.066 0.000 1.159 73 A CA 0.819 52.925 52.037 0.115 0.000 0.656 73 A CB -0.678 18.373 19.000 0.085 0.000 0.800 73 A HN 0.380 nan 8.150 nan 0.000 0.453 74 F N -0.519 119.491 119.950 0.101 0.000 2.749 74 F HA 0.087 4.614 4.527 0.000 0.000 0.300 74 F C 1.424 177.263 175.800 0.065 0.000 1.103 74 F CA 0.284 58.335 58.000 0.086 0.000 1.342 74 F CB 0.408 39.461 39.000 0.087 0.000 1.098 74 F HN 0.161 nan 8.300 nan 0.000 0.586 75 D N -0.192 120.311 120.400 0.172 0.000 2.240 75 D HA 0.038 4.678 4.640 0.000 0.000 0.206 75 D C 1.091 177.413 176.300 0.038 0.000 0.963 75 D CA 0.717 54.778 54.000 0.101 0.000 0.863 75 D CB 0.056 40.909 40.800 0.088 0.000 0.973 75 D HN 0.125 nan 8.370 nan 0.000 0.501 76 M N 2.295 121.896 119.600 0.002 0.000 2.217 76 M HA 0.102 4.582 4.480 0.000 0.000 0.352 76 M C -1.502 174.772 176.300 -0.043 0.000 1.376 76 M CA -1.076 54.191 55.300 -0.055 0.000 1.107 76 M CB 0.709 33.227 32.600 -0.137 0.000 1.723 76 M HN -0.221 nan 8.290 nan 0.000 0.461 77 P HA -0.104 nan 4.420 nan 0.000 0.225 77 P C 0.470 177.754 177.300 -0.026 0.000 1.156 77 P CA 1.175 64.262 63.100 -0.021 0.000 0.787 77 P CB -0.112 31.581 31.700 -0.013 0.000 0.802 78 D N -1.046 119.330 120.400 -0.040 0.000 2.339 78 D HA -0.019 4.621 4.640 0.000 0.000 0.217 78 D C 0.572 176.857 176.300 -0.026 0.000 1.050 78 D CA -0.062 53.920 54.000 -0.030 0.000 0.856 78 D CB -0.438 40.342 40.800 -0.034 0.000 0.922 78 D HN 0.066 nan 8.370 nan 0.000 0.518 79 I N 2.128 122.674 120.570 -0.041 0.000 2.471 79 I HA 0.077 4.247 4.170 0.000 0.000 0.286 79 I C 1.372 177.461 176.117 -0.046 0.000 1.079 79 I CA 0.246 61.522 61.300 -0.040 0.000 1.398 79 I CB 1.058 39.013 38.000 -0.076 0.000 1.403 79 I HN 0.031 nan 8.210 nan 0.000 0.530 80 T N 1.663 116.203 114.554 -0.022 0.000 3.040 80 T HA 0.609 4.959 4.350 0.000 0.000 0.266 80 T C 0.312 174.994 174.700 -0.029 0.000 1.005 80 T CA -0.092 61.996 62.100 -0.020 0.000 0.906 80 T CB 0.513 69.381 68.868 0.001 0.000 1.082 80 T HN 0.694 nan 8.240 nan 0.000 0.531 81 A N 0.437 123.238 122.820 -0.032 0.000 2.589 81 A HA 0.673 4.993 4.320 0.000 0.000 0.296 81 A C -1.590 175.981 177.584 -0.022 0.000 1.062 81 A CA -0.723 51.288 52.037 -0.042 0.000 0.686 81 A CB 1.613 20.580 19.000 -0.055 0.000 1.282 81 A HN 0.301 nan 8.150 nan 0.000 0.404 82 V N 1.855 121.752 119.914 -0.028 0.000 2.325 82 V HA 0.364 4.484 4.120 0.000 0.000 0.280 82 V C -1.142 175.006 176.094 0.090 0.000 1.016 82 V CA -0.382 61.929 62.300 0.018 0.000 0.818 82 V CB 1.092 32.900 31.823 -0.025 0.000 1.019 82 V HN 0.801 nan 8.190 nan 0.000 0.434 83 W N 5.832 127.099 121.300 -0.056 0.000 2.291 83 W HA 0.487 5.147 4.660 0.001 0.000 0.312 83 W C 0.035 176.511 176.519 -0.072 0.000 1.061 83 W CA -1.532 55.772 57.345 -0.068 0.000 1.296 83 W CB 1.183 30.614 29.460 -0.048 0.000 1.223 83 W HN 0.499 nan 8.180 nan 0.000 0.421 84 C N 6.667 126.130 119.300 0.272 0.000 2.653 84 C HA 0.038 4.498 4.460 0.000 0.000 0.421 84 C C 2.190 177.181 174.990 0.002 0.000 1.334 84 C CA -0.226 58.839 59.018 0.078 0.000 1.885 84 C CB -0.284 27.466 27.740 0.016 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 -0.082 0.000 2.131 85 L HA 0.074 4.414 4.340 0.000 0.000 0.206 85 L C 1.391 178.195 176.870 -0.110 0.000 1.087 85 L CA 1.344 56.092 54.840 -0.154 0.000 0.767 85 L CB -0.223 41.752 42.059 -0.140 0.000 0.917 85 L HN 0.679 nan 8.230 nan 0.000 0.441 86 R N -1.649 118.807 120.500 -0.074 0.000 2.643 86 R HA 0.395 4.735 4.340 0.000 0.000 0.269 86 R C -0.179 176.071 176.300 -0.083 0.000 1.037 86 R CA -0.030 56.031 56.100 -0.066 0.000 0.894 86 R CB 1.590 31.859 30.300 -0.052 0.000 1.238 86 R HN -0.007 nan 8.270 nan 0.000 0.459 87 G N 0.586 109.314 108.800 -0.122 0.000 3.348 87 G HA2 0.488 4.448 3.960 0.000 0.000 0.180 87 G HA3 0.488 4.448 3.960 0.000 0.000 0.180 87 G C 0.640 175.487 174.900 -0.088 0.000 1.915 87 G CA 0.441 45.450 45.100 -0.152 0.000 0.937 87 G HN 1.026 nan 8.290 nan 0.000 0.564 88 G N -0.967 107.787 108.800 -0.077 0.000 3.675 88 G HA2 -0.064 3.897 3.960 0.000 0.000 0.275 88 G HA3 -0.064 3.897 3.960 0.000 0.000 0.275 88 G C -0.075 174.865 174.900 0.067 0.000 1.648 88 G CA 1.025 46.120 45.100 -0.008 0.000 1.093 88 G HN 1.782 nan 8.290 nan 0.000 0.617 89 Y N 0.664 120.934 120.300 -0.050 0.000 2.480 89 Y HA 0.546 5.096 4.550 0.000 0.000 0.329 89 Y C 0.597 176.509 175.900 0.021 0.000 1.127 89 Y CA 0.802 58.884 58.100 -0.031 0.000 1.037 89 Y CB 1.343 39.762 38.460 -0.069 0.000 1.320 89 Y HN 2.094 nan 8.280 nan 0.000 0.446 90 G N 1.489 109.710 108.800 -0.964 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 1.065 175.717 174.900 -0.414 0.000 0.999 90 G CA 0.226 44.772 45.100 -0.924 0.000 0.721 90 G HN 1.486 nan 8.290 nan 0.000 0.486 91 C N 1.362 120.506 119.300 -0.261 0.000 2.448 91 C HA 0.455 4.915 4.460 0.000 0.000 0.280 91 C C 2.884 177.814 174.990 -0.101 0.000 1.398 91 C CA 1.431 60.357 59.018 -0.152 0.000 1.774 91 C CB -1.173 26.494 27.740 -0.121 0.000 1.888 91 C HN 0.891 nan 8.230 nan 0.000 0.519 92 G N 0.167 108.919 108.800 -0.080 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 -0.004 0.000 1.127 92 G CA 0.676 45.775 45.100 -0.002 0.000 0.766 92 G HN 0.764 nan 8.290 nan 0.000 0.552 93 Q N -0.323 119.444 119.800 -0.056 0.000 2.297 93 Q HA 0.039 4.380 4.340 0.000 0.000 0.208 93 Q C 2.343 178.320 176.000 -0.040 0.000 0.981 93 Q CA 0.607 56.389 55.803 -0.036 0.000 0.876 93 Q CB -0.195 28.503 28.738 -0.067 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 -0.061 0.000 2.395 94 L HA -0.067 4.273 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 0.323 55.113 54.840 -0.083 0.000 0.826 94 L CB -0.326 41.659 42.059 -0.122 0.000 0.941 94 L HN 0.271 nan 8.230 nan 0.000 0.451 95 L N 0.527 121.752 121.223 0.003 0.000 2.079 95 L HA -0.144 4.196 4.340 0.000 0.000 0.210 95 L C -0.268 176.645 176.870 0.072 0.000 1.081 95 L CA 1.270 56.155 54.840 0.075 0.000 0.752 95 L CB -1.621 40.530 42.059 0.154 0.000 0.896 95 L HN 0.278 nan 8.230 nan 0.000 0.433 96 P HA -0.025 nan 4.420 nan 0.000 0.242 96 P C 1.032 178.334 177.300 0.003 0.000 1.197 96 P CA 0.938 64.065 63.100 0.045 0.000 0.765 96 P CB 0.023 31.746 31.700 0.039 0.000 0.936 97 G N -1.426 107.349 108.800 -0.042 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 0.134 174.986 174.900 -0.080 0.000 1.051 97 G CA -0.102 44.967 45.100 -0.050 0.000 0.809 97 G HN 0.152 nan 8.290 nan 0.000 0.531 98 L N 1.559 122.631 121.223 -0.252 0.000 2.367 98 L HA 0.261 4.601 4.340 0.000 0.000 0.275 98 L C -0.338 176.214 176.870 -0.529 0.000 1.129 98 L CA -0.560 53.989 54.840 -0.484 0.000 0.839 98 L CB 1.306 42.675 42.059 -1.150 0.000 1.133 98 L HN -0.043 nan 8.230 nan 0.000 0.453 99 D N 2.746 123.016 120.400 -0.216 0.000 2.494 99 D HA 0.030 4.670 4.640 0.000 0.000 0.217 99 D C 0.626 176.746 176.300 -0.299 0.000 1.153 99 D CA -0.192 53.642 54.000 -0.277 0.000 0.954 99 D CB 0.360 40.950 40.800 -0.349 0.000 1.034 99 D HN 0.363 nan 8.370 nan 0.000 0.518 100 W N 2.386 123.591 121.300 -0.157 0.000 2.342 100 W HA -0.077 4.583 4.660 0.000 0.000 0.297 100 W C 2.440 178.865 176.519 -0.158 0.000 1.213 100 W CA 0.760 57.962 57.345 -0.239 0.000 1.251 100 W CB -0.178 29.126 29.460 -0.260 0.000 1.136 100 W HN 0.472 nan 8.180 nan 0.000 0.526 101 G N 0.406 109.270 108.800 0.106 0.000 2.418 101 G HA2 -0.248 3.712 3.960 0.000 0.000 0.217 101 G HA3 -0.248 3.712 3.960 0.000 0.000 0.217 101 G C 1.522 176.430 174.900 0.013 0.000 1.158 101 G CA 0.830 45.963 45.100 0.055 0.000 0.771 101 G HN 0.202 nan 8.290 nan 0.000 0.545 102 R N -0.729 119.754 120.500 -0.030 0.000 2.148 102 R HA 0.028 4.368 4.340 0.000 0.000 0.227 102 R C 2.324 178.623 176.300 -0.001 0.000 1.103 102 R CA 0.541 56.630 56.100 -0.018 0.000 0.983 102 R CB -0.261 30.008 30.300 -0.051 0.000 0.874 102 R HN 0.267 nan 8.270 nan 0.000 0.451 103 L N 0.755 121.910 121.223 -0.113 0.000 2.131 103 L HA -0.077 4.263 4.340 0.000 0.000 0.206 103 L C 1.837 178.698 176.870 -0.016 0.000 1.087 103 L CA 1.651 56.358 54.840 -0.221 0.000 0.767 103 L CB -0.469 41.216 42.059 -0.623 0.000 0.917 103 L HN 0.100 nan 8.230 nan 0.000 0.441 104 E N -0.546 119.665 120.200 0.019 0.000 2.208 104 E HA -0.083 4.267 4.350 0.000 0.000 0.193 104 E C 2.169 178.811 176.600 0.071 0.000 0.988 104 E CA 0.860 57.291 56.400 0.052 0.000 0.828 104 E CB -0.142 29.588 29.700 0.050 0.000 0.763 104 E HN 0.459 nan 8.360 nan 0.000 0.478 105 A N 1.349 124.211 122.820 0.069 0.000 2.067 105 A HA 0.229 4.550 4.320 0.000 0.000 0.217 105 A C 1.352 178.991 177.584 0.091 0.000 1.156 105 A CA 0.544 52.622 52.037 0.067 0.000 0.683 105 A CB -0.063 18.968 19.000 0.051 0.000 0.808 105 A HN 0.223 nan 8.150 nan 0.000 0.455 106 A N 0.687 123.593 122.820 0.144 0.000 2.351 106 A HA 0.517 4.837 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 0.209 52.343 52.037 0.162 0.000 0.798 106 A CB -0.079 19.095 19.000 0.289 0.000 1.033 106 A HN 0.989 nan 8.150 nan 0.000 0.488 107 S N 1.715 117.465 115.700 0.084 0.000 2.573 107 S HA 0.326 4.796 4.470 0.000 0.000 0.277 107 S C -2.569 172.076 174.600 0.074 0.000 1.346 107 S CA -0.831 57.407 58.200 0.064 0.000 1.034 107 S CB -0.358 62.864 63.200 0.036 0.000 0.879 107 S HN 0.496 nan 8.310 nan 0.000 0.528 108 P HA 0.155 nan 4.420 nan 0.000 0.264 108 P C -0.526 176.806 177.300 0.054 0.000 1.193 108 P CA 0.061 63.213 63.100 0.087 0.000 0.763 108 P CB 0.115 31.857 31.700 0.071 0.000 0.810 109 R N 2.140 122.683 120.500 0.073 0.000 2.921 109 R HA 0.392 4.733 4.340 0.000 0.000 0.269 109 R C -3.222 173.116 176.300 0.063 0.000 1.696 109 R CA -1.982 54.117 56.100 -0.001 0.000 1.161 109 R CB 0.397 30.607 30.300 -0.150 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 -0.477 176.828 177.300 0.009 0.000 1.193 110 P CA -0.341 62.791 63.100 0.053 0.000 0.765 110 P CB 0.537 32.218 31.700 -0.031 0.000 0.823 111 L N 5.302 126.541 121.223 0.027 0.000 2.331 111 L HA 0.367 4.707 4.340 0.000 0.000 0.278 111 L C -0.594 176.155 176.870 -0.200 0.000 1.106 111 L CA 0.194 54.961 54.840 -0.123 0.000 0.824 111 L CB -0.064 41.730 42.059 -0.441 0.000 1.142 111 L HN 0.236 nan 8.230 nan 0.000 0.443 112 I N 5.280 125.736 120.570 -0.191 0.000 2.436 112 I HA 0.845 5.015 4.170 0.000 0.000 0.289 112 I C 0.392 176.446 176.117 -0.106 0.000 1.010 112 I CA -0.183 60.966 61.300 -0.252 0.000 1.098 112 I CB 1.637 39.322 38.000 -0.525 0.000 1.266 112 I HN 0.757 nan 8.210 nan 0.000 0.434 113 G N 4.752 113.465 108.800 -0.145 0.000 2.321 113 G HA2 0.525 4.485 3.960 0.000 0.000 0.296 113 G HA3 0.525 4.485 3.960 0.000 0.000 0.296 113 G C -1.608 173.226 174.900 -0.110 0.000 1.287 113 G CA -0.583 44.496 45.100 -0.035 0.000 0.846 113 G HN 0.645 nan 8.290 nan 0.000 0.508 114 F N -1.712 118.028 119.950 -0.350 0.000 3.129 114 F HA 0.816 5.343 4.527 0.000 0.000 0.326 114 F C 0.768 176.433 175.800 -0.224 0.000 1.202 114 F CA 0.412 58.121 58.000 -0.485 0.000 0.929 114 F CB 1.099 39.621 39.000 -0.797 0.000 1.473 114 F HN 1.921 nan 8.300 nan 0.000 0.512 115 S N 0.637 115.941 115.700 -0.660 0.000 3.961 115 S HA -0.418 4.052 4.470 0.000 0.000 0.627 115 S C 0.985 175.473 174.600 -0.187 0.000 2.148 115 S CA 1.830 59.742 58.200 -0.481 0.000 4.099 115 S CB -2.166 60.527 63.200 -0.845 0.000 0.219 115 S HN 1.321 nan 8.310 nan 0.000 0.744 116 D N 0.664 120.969 120.400 -0.157 0.000 2.221 116 D HA -0.071 4.569 4.640 0.000 0.000 0.204 116 D C 1.957 178.206 176.300 -0.086 0.000 0.982 116 D CA 1.761 55.720 54.000 -0.068 0.000 0.857 116 D CB -0.243 40.527 40.800 -0.049 0.000 0.934 116 D HN 0.440 nan 8.370 nan 0.000 0.475 117 I N 0.550 121.034 120.570 -0.143 0.000 2.567 117 I HA -0.185 3.985 4.170 0.000 0.000 0.257 117 I C 2.186 178.220 176.117 -0.139 0.000 1.184 117 I CA 0.709 61.920 61.300 -0.147 0.000 1.451 117 I CB -1.318 36.583 38.000 -0.164 0.000 1.089 117 I HN 0.031 nan 8.210 nan 0.000 0.441 118 S N 1.078 116.729 115.700 -0.081 0.000 2.400 118 S HA -0.178 4.292 4.470 0.000 0.000 0.234 118 S C 2.276 176.853 174.600 -0.038 0.000 1.049 118 S CA 1.462 59.651 58.200 -0.018 0.000 1.039 118 S CB -0.537 62.744 63.200 0.136 0.000 0.856 118 S HN 0.333 nan 8.310 nan 0.000 0.465 119 V N 1.656 121.567 119.914 -0.005 0.000 2.295 119 V HA -0.162 3.958 4.120 0.000 0.000 0.246 119 V C 2.166 178.271 176.094 0.019 0.000 1.049 119 V CA 1.604 63.924 62.300 0.033 0.000 1.024 119 V CB -0.643 31.206 31.823 0.043 0.000 0.648 119 V HN 0.429 nan 8.190 nan 0.000 0.447 120 L N -0.822 120.373 121.223 -0.047 0.000 2.093 120 L HA -0.135 4.205 4.340 0.000 0.000 0.208 120 L C 2.370 179.157 176.870 -0.138 0.000 1.085 120 L CA 1.196 56.004 54.840 -0.055 0.000 0.755 120 L CB -0.419 41.525 42.059 -0.191 0.000 0.904 120 L HN 0.318 nan 8.230 nan 0.000 0.435 121 L N -1.075 119.957 121.223 -0.319 0.000 2.012 121 L HA -0.261 4.080 4.340 0.000 0.000 0.210 121 L C 2.837 179.440 176.870 -0.445 0.000 1.073 121 L CA 1.628 56.116 54.840 -0.587 0.000 0.748 121 L CB -0.842 40.580 42.059 -1.063 0.000 0.891 121 L HN 0.278 nan 8.230 nan 0.000 0.431 122 S N -0.053 115.497 115.700 -0.251 0.000 2.356 122 S HA -0.202 4.268 4.470 0.000 0.000 0.223 122 S C 2.140 176.889 174.600 0.248 0.000 1.032 122 S CA 1.330 59.646 58.200 0.194 0.000 1.005 122 S CB -0.156 63.192 63.200 0.247 0.000 0.867 122 S HN 0.421 nan 8.310 nan 0.000 0.449 123 A N 0.346 123.300 122.820 0.224 0.000 1.933 123 A HA 0.077 4.397 4.320 0.000 0.000 0.218 123 A C 1.901 179.651 177.584 0.277 0.000 1.175 123 A CA 1.387 53.572 52.037 0.248 0.000 0.628 123 A CB -0.980 18.252 19.000 0.386 0.000 0.814 123 A HN 0.583 nan 8.150 nan 0.000 0.444 124 F N -0.505 119.533 119.950 0.147 0.000 2.102 124 F HA -0.131 4.396 4.527 0.001 0.000 0.298 124 F C 2.269 178.175 175.800 0.177 0.000 1.105 124 F CA 1.335 59.443 58.000 0.181 0.000 1.239 124 F CB -1.091 38.006 39.000 0.162 0.000 0.991 124 F HN 0.543 nan 8.300 nan 0.000 0.474 125 H N 0.004 119.245 119.070 0.286 0.000 2.352 125 H HA -0.202 4.354 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 1.507 57.705 56.048 0.251 0.000 1.311 125 H CB -0.062 30.002 29.762 0.504 0.000 1.377 125 H HN 0.128 nan 8.280 nan 0.000 0.504 126 R N -0.166 120.170 120.500 -0.274 0.000 2.127 126 R HA -0.166 4.174 4.340 0.000 0.000 0.238 126 R C 0.888 176.743 176.300 -0.742 0.000 1.134 126 R CA 1.964 57.536 56.100 -0.879 0.000 0.975 126 R CB -0.146 29.728 30.300 -0.709 0.000 0.865 126 R HN 0.508 nan 8.270 nan 0.000 0.447 127 H N -1.629 117.163 119.070 -0.463 0.000 2.517 127 H HA 0.259 4.815 4.556 0.000 0.000 0.282 127 H C 0.669 175.871 175.328 -0.210 0.000 1.023 127 H CA 0.609 56.389 56.048 -0.448 0.000 1.169 127 H CB 1.075 30.364 29.762 -0.787 0.000 1.454 127 H HN 0.520 nan 8.280 nan 0.000 0.556 128 G N 0.763 109.537 108.800 -0.044 0.000 2.176 128 G HA2 -0.281 3.679 3.960 0.000 0.000 0.252 128 G HA3 -0.281 3.679 3.960 0.000 0.000 0.252 128 G C -0.171 174.783 174.900 0.089 0.000 1.024 128 G CA 0.041 45.166 45.100 0.043 0.000 0.755 128 G HN 0.305 nan 8.290 nan 0.000 0.507 129 L N 1.307 122.601 121.223 0.119 0.000 2.309 129 L HA 0.525 4.865 4.340 0.000 0.000 0.282 129 L C -1.530 175.511 176.870 0.286 0.000 1.036 129 L CA -2.424 52.511 54.840 0.158 0.000 0.806 129 L CB 1.744 43.788 42.059 -0.027 0.000 1.220 129 L HN -0.056 nan 8.230 nan 0.000 0.429 130 P HA 0.336 nan 4.420 nan 0.000 0.275 130 P C -1.157 176.288 177.300 0.241 0.000 1.228 130 P CA -0.206 63.019 63.100 0.209 0.000 0.786 130 P CB 1.624 33.407 31.700 0.137 0.000 0.927 131 A N 2.611 125.516 122.820 0.141 0.000 2.609 131 A HA 0.788 5.109 4.320 0.000 0.000 0.291 131 A C -1.373 176.189 177.584 -0.037 0.000 1.096 131 A CA -0.665 51.396 52.037 0.040 0.000 0.684 131 A CB 1.201 20.208 19.000 0.010 0.000 1.282 131 A HN 0.434 nan 8.150 nan 0.000 0.412 132 I N 1.504 121.980 120.570 -0.156 0.000 2.534 132 I HA 0.254 4.424 4.170 0.000 0.000 0.288 132 I C -0.699 175.207 176.117 -0.351 0.000 1.077 132 I CA -0.434 60.711 61.300 -0.258 0.000 1.051 132 I CB 1.998 39.815 38.000 -0.304 0.000 1.234 132 I HN 0.821 nan 8.210 nan 0.000 0.425 133 H N 5.969 124.612 119.070 -0.711 0.000 2.934 133 H HA 0.606 5.162 4.556 0.000 0.000 0.273 133 H C -0.425 174.450 175.328 -0.755 0.000 1.121 133 H CA 0.251 55.775 56.048 -0.873 0.000 1.451 133 H CB 0.770 29.495 29.762 -1.729 0.000 1.469 133 H HN 0.863 nan 8.280 nan 0.000 0.476 134 G N 4.783 113.243 108.800 -0.566 0.000 2.554 134 G HA2 0.220 4.181 3.960 0.000 0.000 0.306 134 G HA3 0.220 4.181 3.960 0.000 0.000 0.306 134 G C -3.188 171.484 174.900 -0.379 0.000 1.320 134 G CA -1.243 43.576 45.100 -0.467 0.000 0.800 134 G HN 0.326 nan 8.290 nan 0.000 0.481 135 P HA 0.253 nan 4.420 nan 0.000 0.265 135 P C 0.634 178.112 177.300 0.297 0.000 1.187 135 P CA -0.160 62.870 63.100 -0.117 0.000 0.766 135 P CB 0.725 32.410 31.700 -0.026 0.000 0.820 136 V N 0.215 120.337 119.914 0.348 0.000 3.003 136 V HA 0.393 4.513 4.120 0.000 0.000 0.305 136 V C 1.438 177.531 176.094 -0.002 0.000 1.078 136 V CA 0.335 62.787 62.300 0.253 0.000 1.083 136 V CB 0.120 32.011 31.823 0.114 0.000 1.039 136 V HN 0.619 nan 8.190 nan 0.000 0.481 137 A N 2.156 124.677 122.820 -0.499 0.000 2.015 137 A HA -0.066 4.254 4.320 0.000 0.000 0.219 137 A C 2.132 179.430 177.584 -0.477 0.000 1.163 137 A CA 1.983 53.407 52.037 -1.022 0.000 0.646 137 A CB -1.186 16.980 19.000 -1.390 0.000 0.806 137 A HN 1.425 nan 8.150 nan 0.000 0.448 138 T N -2.826 111.566 114.554 -0.271 0.000 3.098 138 T HA 0.079 4.429 4.350 0.000 0.000 0.266 138 T C 1.678 176.326 174.700 -0.085 0.000 1.145 138 T CA 1.085 63.089 62.100 -0.160 0.000 1.092 138 T CB -0.551 68.252 68.868 -0.107 0.000 0.908 138 T HN 0.390 nan 8.240 nan 0.000 0.526 139 G N 1.813 110.580 108.800 -0.055 0.000 2.479 139 G HA2 -0.084 3.876 3.960 0.000 0.000 0.220 139 G HA3 -0.084 3.876 3.960 0.000 0.000 0.220 139 G C 1.355 176.260 174.900 0.008 0.000 1.115 139 G CA 0.589 45.692 45.100 0.005 0.000 0.757 139 G HN 0.576 nan 8.290 nan 0.000 0.560 140 L N 0.250 121.456 121.223 -0.028 0.000 2.291 140 L HA 0.116 4.456 4.340 0.000 0.000 0.214 140 L C 2.555 179.419 176.870 -0.010 0.000 1.120 140 L CA 0.805 55.651 54.840 0.011 0.000 0.799 140 L CB -0.019 42.025 42.059 -0.024 0.000 0.925 140 L HN 0.296 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 0.346 4.306 3.960 0.000 0.000 0.267 141 G HA3 0.346 4.306 3.960 0.000 0.000 0.267 141 G C 0.535 175.423 174.900 -0.020 0.000 1.090 141 G CA -0.367 44.709 45.100 -0.040 0.000 0.795 141 G HN 0.010 nan 8.290 nan 0.000 0.535 151 Q N 1.745 121.564 119.800 0.031 0.000 2.124 151 Q HA -0.133 4.207 4.340 0.000 0.000 0.202 151 Q C 2.039 178.064 176.000 0.043 0.000 0.977 151 Q CA 1.844 57.669 55.803 0.037 0.000 0.850 151 Q CB 0.093 28.852 28.738 0.035 0.000 0.901 151 Q HN 0.125 nan 8.270 nan 0.000 0.429 152 Q N 0.237 120.060 119.800 0.038 0.000 2.084 152 Q HA -0.167 4.173 4.340 0.000 0.000 0.202 152 Q C 1.960 177.984 176.000 0.039 0.000 0.978 152 Q CA 1.680 57.508 55.803 0.042 0.000 0.844 152 Q CB -0.140 28.618 28.738 0.034 0.000 0.898 152 Q HN 0.614 nan 8.270 nan 0.000 0.426 153 E N 0.404 120.621 120.200 0.029 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 0.019 0.000 0.989 153 E CA 0.843 57.255 56.400 0.020 0.000 0.800 153 E CB -0.098 29.611 29.700 0.015 0.000 0.746 153 E HN 0.203 nan 8.360 nan 0.000 0.452 154 R N 0.915 121.431 120.500 0.027 0.000 2.073 154 R HA -0.145 4.196 4.340 0.000 0.000 0.234 154 R C 2.274 178.604 176.300 0.050 0.000 1.134 154 R CA 1.117 57.233 56.100 0.028 0.000 0.952 154 R CB -0.227 30.095 30.300 0.037 0.000 0.850 154 R HN 0.162 nan 8.270 nan 0.000 0.433 155 L N 0.400 121.669 121.223 0.076 0.000 2.083 155 L HA -0.112 4.228 4.340 0.000 0.000 0.209 155 L C 2.755 179.690 176.870 0.109 0.000 1.083 155 L CA 1.261 56.178 54.840 0.128 0.000 0.752 155 L CB -0.533 41.610 42.059 0.140 0.000 0.899 155 L HN 0.351 nan 8.230 nan 0.000 0.433 156 A N -0.682 122.173 122.820 0.058 0.000 1.930 156 A HA -0.167 4.153 4.320 0.000 0.000 0.217 156 A C 2.508 180.073 177.584 -0.033 0.000 1.175 156 A CA 1.915 53.964 52.037 0.019 0.000 0.627 156 A CB -0.513 18.495 19.000 0.013 0.000 0.815 156 A HN 0.364 nan 8.150 nan 0.000 0.443 157 S N 0.037 115.719 115.700 -0.030 0.000 2.356 157 S HA -0.119 4.351 4.470 0.000 0.000 0.223 157 S C 1.815 176.352 174.600 -0.104 0.000 1.032 157 S CA 1.578 59.734 58.200 -0.072 0.000 1.005 157 S CB -0.478 62.676 63.200 -0.077 0.000 0.867 157 S HN 0.507 nan 8.310 nan 0.000 0.449 158 L N 1.173 122.370 121.223 -0.042 0.000 2.083 158 L HA -0.086 4.254 4.340 0.000 0.000 0.209 158 L C 2.714 179.364 176.870 -0.368 0.000 1.083 158 L CA 1.150 55.970 54.840 -0.033 0.000 0.752 158 L CB -0.629 41.535 42.059 0.175 0.000 0.899 158 L HN 0.312 nan 8.230 nan 0.000 0.433 159 A N -0.031 122.547 122.820 -0.404 0.000 2.015 159 A HA -0.193 4.127 4.320 0.000 0.000 0.219 159 A C 2.515 179.726 177.584 -0.621 0.000 1.163 159 A CA 1.654 53.172 52.037 -0.864 0.000 0.646 159 A CB -0.640 18.182 19.000 -0.296 0.000 0.806 159 A HN 0.518 nan 8.150 nan 0.000 0.448 160 S N -0.377 115.109 115.700 -0.358 0.000 2.442 160 S HA -0.103 4.367 4.470 0.000 0.000 0.236 160 S C 1.688 176.100 174.600 -0.313 0.000 1.007 160 S CA 1.320 59.370 58.200 -0.249 0.000 0.965 160 S CB -0.751 62.366 63.200 -0.138 0.000 0.773 160 S HN 0.241 nan 8.310 nan 0.000 0.504 161 V N 2.896 122.530 119.914 -0.467 0.000 2.244 161 V HA -0.158 3.962 4.120 0.000 0.000 0.244 161 V C 3.179 178.961 176.094 -0.520 0.000 1.042 161 V CA 2.057 64.012 62.300 -0.575 0.000 1.006 161 V CB -1.363 29.911 31.823 -0.914 0.000 0.641 161 V HN 0.811 nan 8.190 nan 0.000 0.446 162 S N 0.634 115.980 115.700 -0.590 0.000 2.383 162 S HA -0.266 4.204 4.470 0.000 0.000 0.229 162 S C 2.039 176.514 174.600 -0.210 0.000 1.030 162 S CA 1.644 59.632 58.200 -0.354 0.000 1.002 162 S CB -0.542 62.483 63.200 -0.292 0.000 0.829 162 S HN 0.577 nan 8.310 nan 0.000 0.467 163 R N 0.168 120.535 120.500 -0.222 0.000 2.092 163 R HA 0.158 4.498 4.340 0.000 0.000 0.231 163 R C 2.347 178.618 176.300 -0.049 0.000 1.119 163 R CA 1.179 57.218 56.100 -0.103 0.000 0.970 163 R CB -0.520 29.722 30.300 -0.096 0.000 0.864 163 R HN 0.386 nan 8.270 nan 0.000 0.440 164 L N 0.831 122.009 121.223 -0.075 0.000 2.109 164 L HA -0.037 4.303 4.340 0.000 0.000 0.207 164 L C 1.812 178.662 176.870 -0.032 0.000 1.086 164 L CA 1.475 56.313 54.840 -0.003 0.000 0.760 164 L CB -0.245 41.792 42.059 -0.036 0.000 0.910 164 L HN 0.123 nan 8.230 nan 0.000 0.437 165 L N -0.444 120.716 121.223 -0.106 0.000 2.127 165 L HA -0.177 4.163 4.340 0.000 0.000 0.211 165 L C 2.409 179.261 176.870 -0.030 0.000 1.089 165 L CA 1.169 55.956 54.840 -0.088 0.000 0.757 165 L CB -0.709 41.271 42.059 -0.132 0.000 0.899 165 L HN 0.389 nan 8.230 nan 0.000 0.434 166 A N -0.864 121.945 122.820 -0.017 0.000 2.178 166 A HA 0.264 4.584 4.320 0.000 0.000 0.211 166 A C 1.744 179.350 177.584 0.036 0.000 1.157 166 A CA 0.750 52.794 52.037 0.012 0.000 0.780 166 A CB -0.261 18.748 19.000 0.015 0.000 0.828 166 A HN 0.500 nan 8.150 nan 0.000 0.476 167 G N -0.150 108.684 108.800 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 0.713 175.685 174.900 0.119 0.000 0.989 167 G CA 0.665 45.827 45.100 0.103 0.000 0.682 167 G HN 1.351 nan 8.290 nan 0.000 0.522 168 I N -3.242 117.386 120.570 0.096 0.000 3.728 168 I HA 0.430 4.601 4.170 0.000 0.000 0.307 168 I C -0.228 175.943 176.117 0.089 0.000 1.276 168 I CA -0.138 61.218 61.300 0.092 0.000 1.285 168 I CB 0.310 38.341 38.000 0.051 0.000 1.038 168 I HN -0.080 nan 8.210 nan 0.000 0.445 169 D N 1.704 122.159 120.400 0.091 0.000 2.362 169 D HA 0.352 4.992 4.640 0.000 0.000 0.247 169 D C 0.073 176.365 176.300 -0.013 0.000 1.050 169 D CA -0.132 53.852 54.000 -0.027 0.000 0.839 169 D CB 0.932 41.745 40.800 0.021 0.000 1.283 169 D HN 0.418 nan 8.370 nan 0.000 0.477 170 H N -0.152 118.653 119.070 -0.442 0.000 2.985 170 H HA 0.242 4.798 4.556 0.000 0.000 0.246 170 H C -0.533 173.767 175.328 -1.713 0.000 1.181 170 H CA -0.475 54.840 56.048 -1.221 0.000 0.972 170 H CB 0.972 30.330 29.762 -0.673 0.000 2.016 170 H HN 0.524 nan 8.280 nan 0.000 0.672 171 E N 1.048 120.428 120.200 -1.367 0.000 2.407 171 E HA 0.599 4.949 4.350 0.000 0.000 0.279 171 E C -1.882 174.446 176.600 -0.454 0.000 1.012 171 E CA -1.027 54.834 56.400 -0.898 0.000 0.800 171 E CB 2.338 31.713 29.700 -0.543 0.000 1.276 171 E HN 0.095 nan 8.360 nan 0.000 0.452 172 L N 1.032 122.133 121.223 -0.204 0.000 2.409 172 L HA 0.580 4.920 4.340 0.000 0.000 0.262 172 L C -2.459 174.377 176.870 -0.056 0.000 0.992 172 L CA -2.401 52.409 54.840 -0.050 0.000 0.817 172 L CB 2.654 44.765 42.059 0.086 0.000 1.350 172 L HN 0.498 nan 8.230 nan 0.000 0.411 173 P HA 0.218 nan 4.420 nan 0.000 0.275 173 P C -1.123 176.176 177.300 -0.002 0.000 1.228 173 P CA -0.166 62.920 63.100 -0.023 0.000 0.786 173 P CB 2.392 34.082 31.700 -0.017 0.000 0.927 174 V N 2.543 122.467 119.914 0.017 0.000 3.120 174 V HA 0.292 4.412 4.120 0.000 0.000 0.303 174 V C -1.421 174.743 176.094 0.117 0.000 1.238 174 V CA -0.602 61.729 62.300 0.053 0.000 1.008 174 V CB 2.617 34.453 31.823 0.021 0.000 1.064 174 V HN 0.520 nan 8.190 nan 0.000 0.434 175 Q N 2.985 122.872 119.800 0.145 0.000 2.337 175 Q HA 0.482 4.822 4.340 0.000 0.000 0.266 175 Q C -0.981 175.205 176.000 0.311 0.000 1.023 175 Q CA -0.547 55.372 55.803 0.194 0.000 0.829 175 Q CB 2.311 31.114 28.738 0.109 0.000 1.306 175 Q HN 0.863 nan 8.270 nan 0.000 0.449 176 H N 2.074 121.164 119.070 0.034 0.000 2.690 176 H HA 0.251 4.807 4.556 0.000 0.000 0.314 176 H C -1.054 174.139 175.328 -0.224 0.000 1.069 176 H CA -0.838 54.978 56.048 -0.388 0.000 1.436 176 H CB 0.741 30.225 29.762 -0.463 0.000 1.462 176 H HN 0.337 nan 8.280 nan 0.000 0.511 177 L N 6.765 127.946 121.223 -0.070 0.000 2.259 177 L HA 0.276 4.616 4.340 0.000 0.000 0.288 177 L C 0.686 177.392 176.870 -0.274 0.000 1.051 177 L CA 1.165 55.854 54.840 -0.252 0.000 0.824 177 L CB 0.074 41.849 42.059 -0.473 0.000 1.206 177 L HN 1.101 nan 8.230 nan 0.000 0.429 178 G N 3.352 111.969 108.800 -0.305 0.000 2.569 178 G HA2 0.206 4.166 3.960 0.000 0.000 0.259 178 G HA3 0.206 4.166 3.960 0.000 0.000 0.259 178 G C 0.604 175.210 174.900 -0.490 0.000 1.263 178 G CA -0.240 44.681 45.100 -0.299 0.000 0.928 178 G HN 1.986 nan 8.290 nan 0.000 0.572 179 G N -0.708 107.911 108.800 -0.302 0.000 2.528 179 G HA2 0.289 4.250 3.960 0.000 0.000 0.262 179 G HA3 0.289 4.250 3.960 0.000 0.000 0.262 179 G C 0.159 174.915 174.900 -0.238 0.000 1.200 179 G CA 1.510 46.434 45.100 -0.294 0.000 0.951 179 G HN 2.965 nan 8.290 nan 0.000 0.566 180 H N -0.470 118.512 119.070 -0.145 0.000 2.985 180 H HA 0.647 5.203 4.556 0.000 0.000 0.360 180 H C -0.395 174.962 175.328 0.049 0.000 1.221 180 H CA -0.804 55.200 56.048 -0.074 0.000 1.121 180 H CB 1.089 30.841 29.762 -0.016 0.000 1.854 180 H HN 0.593 nan 8.280 nan 0.000 0.551 181 K N 1.576 122.104 120.400 0.214 0.000 2.472 181 K HA 0.026 4.346 4.320 0.000 0.000 0.280 181 K C 0.076 176.842 176.600 0.276 0.000 1.028 181 K CA 0.634 57.050 56.287 0.216 0.000 1.045 181 K CB 0.399 32.982 32.500 0.138 0.000 0.902 181 K HN 0.679 nan 8.250 nan 0.000 0.478 182 Q N 1.798 121.736 119.800 0.229 0.000 2.685 182 Q HA 0.371 4.711 4.340 0.000 0.000 0.301 182 Q C -1.345 174.724 176.000 0.116 0.000 0.924 182 Q CA -1.255 54.652 55.803 0.173 0.000 0.755 182 Q CB 1.513 30.356 28.738 0.175 0.000 1.470 182 Q HN 0.457 nan 8.270 nan 0.000 0.434 183 R N 1.099 121.643 120.500 0.073 0.000 2.393 183 R HA 0.619 4.959 4.340 0.000 0.000 0.315 183 R C -1.685 174.615 176.300 -0.000 0.000 0.952 183 R CA -0.448 55.669 56.100 0.028 0.000 0.842 183 R CB 1.816 32.130 30.300 0.022 0.000 1.163 183 R HN 0.511 nan 8.270 nan 0.000 0.450 184 V N 4.083 123.966 119.914 -0.051 0.000 2.448 184 V HA 0.356 4.476 4.120 0.000 0.000 0.295 184 V C -0.485 175.551 176.094 -0.097 0.000 1.025 184 V CA -0.674 61.579 62.300 -0.078 0.000 0.859 184 V CB 1.617 33.363 31.823 -0.129 0.000 0.988 184 V HN 0.797 nan 8.190 nan 0.000 0.431 185 E N 2.942 123.101 120.200 -0.069 0.000 2.224 185 E HA 0.746 5.096 4.350 0.000 0.000 0.265 185 E C -0.270 176.294 176.600 -0.061 0.000 0.878 185 E CA -0.268 56.095 56.400 -0.061 0.000 0.759 185 E CB 2.064 31.743 29.700 -0.035 0.000 1.164 185 E HN 0.923 nan 8.360 nan 0.000 0.414 186 G N 1.750 110.507 108.800 -0.072 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 -1.323 173.528 174.900 -0.082 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 -0.363 122.416 122.820 -0.068 0.000 2.477 187 A HA 0.587 4.907 4.320 0.000 0.000 0.246 187 A C 0.381 177.854 177.584 -0.186 0.000 1.078 187 A CA -0.038 51.941 52.037 -0.096 0.000 0.770 187 A CB 0.014 19.020 19.000 0.010 0.000 1.011 187 A HN 0.763 nan 8.150 nan 0.000 0.494 188 L N 3.551 124.607 121.223 -0.279 0.000 2.313 188 L HA 0.425 4.765 4.340 0.000 0.000 0.282 188 L C 0.216 176.777 176.870 -0.516 0.000 1.092 188 L CA 0.040 54.641 54.840 -0.399 0.000 0.831 188 L CB 0.012 41.831 42.059 -0.402 0.000 1.159 188 L HN 0.747 nan 8.230 nan 0.000 0.442 189 I N 0.072 120.389 120.570 -0.423 0.000 3.264 189 I HA 1.012 5.182 4.170 0.000 0.000 0.315 189 I C 0.334 176.443 176.117 -0.014 0.000 1.154 189 I CA -0.424 60.663 61.300 -0.355 0.000 0.962 189 I CB 2.224 40.199 38.000 -0.041 0.000 1.265 189 I HN 0.636 nan 8.210 nan 0.000 0.463 190 G N 0.951 109.961 108.800 0.349 0.000 2.460 190 G HA2 0.427 4.387 3.960 0.000 0.000 0.207 190 G HA3 0.427 4.387 3.960 0.000 0.000 0.207 190 G C 0.192 175.402 174.900 0.518 0.000 1.170 190 G CA -0.004 45.311 45.100 0.359 0.000 1.151 190 G HN 2.514 nan 8.290 nan 0.000 0.575 191 G N -0.084 108.945 108.800 0.382 0.000 2.390 191 G HA2 0.150 4.111 3.960 0.000 0.000 0.202 191 G HA3 0.150 4.111 3.960 0.000 0.000 0.202 191 G C -0.072 175.039 174.900 0.351 0.000 1.210 191 G CA 0.752 46.130 45.100 0.463 0.000 1.271 191 G HN 1.798 nan 8.290 nan 0.000 0.543 192 N N 1.506 120.395 118.700 0.315 0.000 2.442 192 N HA 0.247 4.988 4.740 0.000 0.000 0.265 192 N C 1.571 177.186 175.510 0.175 0.000 1.138 192 N CA 0.034 53.214 53.050 0.216 0.000 0.956 192 N CB 1.320 39.907 38.487 0.166 0.000 1.067 192 N HN 0.614 nan 8.380 nan 0.000 0.474 193 L N 4.881 126.207 121.223 0.172 0.000 2.012 193 L HA -0.131 4.209 4.340 0.000 0.000 0.210 193 L C 2.003 178.960 176.870 0.144 0.000 1.073 193 L CA 2.011 56.968 54.840 0.195 0.000 0.748 193 L CB -1.060 41.177 42.059 0.298 0.000 0.891 193 L HN 0.590 nan 8.230 nan 0.000 0.431 194 T N 0.068 114.689 114.554 0.112 0.000 2.708 194 T HA -0.135 4.215 4.350 0.000 0.000 0.266 194 T C 1.911 176.655 174.700 0.074 0.000 1.037 194 T CA 1.461 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 0.551 nan 8.240 nan 0.000 0.435 195 A N 1.033 123.902 122.820 0.082 0.000 1.902 195 A HA 0.011 4.331 4.320 0.000 0.000 0.217 195 A C 2.300 179.947 177.584 0.105 0.000 1.181 195 A CA 1.234 53.326 52.037 0.090 0.000 0.623 195 A CB -0.784 18.265 19.000 0.081 0.000 0.818 195 A HN 0.473 nan 8.150 nan 0.000 0.443 196 L N -1.020 120.275 121.223 0.118 0.000 2.072 196 L HA -0.109 4.231 4.340 0.000 0.000 0.205 196 L C 3.086 180.024 176.870 0.115 0.000 1.079 196 L CA 0.892 55.809 54.840 0.127 0.000 0.752 196 L CB -0.552 41.599 42.059 0.152 0.000 0.906 196 L HN 0.412 nan 8.230 nan 0.000 0.436 197 A N -0.880 122.006 122.820 0.109 0.000 1.978 197 A HA -0.242 4.078 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 1.808 53.905 52.037 0.100 0.000 0.636 197 A CB -1.169 17.889 19.000 0.096 0.000 0.810 197 A HN 0.569 nan 8.150 nan 0.000 0.448 198 C N -0.440 118.913 119.300 0.087 0.000 2.511 198 C HA 0.124 4.584 4.460 0.000 0.000 0.277 198 C C 2.118 177.166 174.990 0.097 0.000 1.451 198 C CA 0.564 59.631 59.018 0.083 0.000 1.735 198 C CB -1.159 26.625 27.740 0.075 0.000 1.704 198 C HN 0.556 nan 8.230 nan 0.000 0.571 199 M N 0.100 119.761 119.600 0.101 0.000 2.337 199 M HA 0.230 4.710 4.480 0.000 0.000 0.256 199 M C 1.133 177.490 176.300 0.094 0.000 1.075 199 M CA 0.067 55.428 55.300 0.102 0.000 1.024 199 M CB -1.090 31.575 32.600 0.108 0.000 1.429 199 M HN 0.224 nan 8.290 nan 0.000 0.497 200 A N 0.507 123.382 122.820 0.092 0.000 2.531 200 A HA 0.423 4.743 4.320 0.000 0.000 0.236 200 A C 1.489 179.120 177.584 0.079 0.000 1.062 200 A CA 1.050 53.138 52.037 0.084 0.000 0.760 200 A CB -0.441 18.611 19.000 0.087 0.000 0.995 200 A HN 0.878 nan 8.150 nan 0.000 0.501 201 G N 1.007 109.850 108.800 0.071 0.000 2.179 201 G HA2 -0.161 3.799 3.960 0.000 0.000 0.260 201 G HA3 -0.161 3.799 3.960 0.000 0.000 0.260 201 G C 0.589 175.528 174.900 0.065 0.000 0.977 201 G CA 1.425 46.564 45.100 0.065 0.000 0.641 201 G HN 2.299 nan 8.290 nan 0.000 0.533 202 T N -2.251 112.346 114.554 0.071 0.000 2.905 202 T HA 0.656 5.006 4.350 0.000 0.000 0.283 202 T C 1.848 176.594 174.700 0.076 0.000 1.031 202 T CA -0.059 62.085 62.100 0.074 0.000 1.002 202 T CB 1.492 70.409 68.868 0.082 0.000 1.200 202 T HN 1.110 nan 8.240 nan 0.000 0.560 203 L N -1.130 120.142 121.223 0.081 0.000 2.353 203 L HA 0.328 4.668 4.340 0.000 0.000 0.220 203 L C 1.699 178.632 176.870 0.104 0.000 1.133 203 L CA 1.421 56.315 54.840 0.089 0.000 0.798 203 L CB -0.812 41.308 42.059 0.102 0.000 0.922 203 L HN 0.783 nan 8.230 nan 0.000 0.445 204 G N 0.217 109.083 108.800 0.109 0.000 3.434 204 G HA2 0.317 4.277 3.960 0.000 0.000 0.258 204 G HA3 0.317 4.277 3.960 0.000 0.000 0.258 204 G C 0.736 175.705 174.900 0.116 0.000 1.128 204 G CA 0.126 45.299 45.100 0.122 0.000 0.792 204 G HN 0.504 nan 8.290 nan 0.000 0.539 205 G N 0.377 109.239 108.800 0.102 0.000 2.474 205 G HA2 0.287 4.247 3.960 0.000 0.000 0.233 205 G HA3 0.287 4.247 3.960 0.000 0.000 0.233 205 G C 0.187 175.161 174.900 0.122 0.000 1.278 205 G CA -0.449 44.712 45.100 0.102 0.000 0.861 205 G HN 0.382 nan 8.290 nan 0.000 0.567 206 L N 1.396 122.697 121.223 0.131 0.000 2.615 206 L HA 0.059 4.399 4.340 0.000 0.000 0.284 206 L C 0.636 177.606 176.870 0.167 0.000 1.237 206 L CA 0.031 54.971 54.840 0.166 0.000 0.905 206 L CB 0.040 42.189 42.059 0.150 0.000 1.149 206 L HN 0.657 nan 8.230 nan 0.000 0.499 207 H N 4.980 124.107 119.070 0.095 0.000 2.800 207 H HA 0.551 5.107 4.556 0.000 0.000 0.291 207 H C -0.443 174.906 175.328 0.035 0.000 1.076 207 H CA 0.183 56.237 56.048 0.011 0.000 1.452 207 H CB 0.608 30.326 29.762 -0.073 0.000 1.461 207 H HN 0.696 nan 8.280 nan 0.000 0.488 208 A N 7.319 129.940 122.820 -0.332 0.000 3.159 208 A HA 0.325 4.645 4.320 0.000 0.000 0.330 208 A C -2.599 174.819 177.584 -0.277 0.000 1.032 208 A CA -1.362 50.537 52.037 -0.230 0.000 0.841 208 A CB -0.259 18.695 19.000 -0.077 0.000 1.093 208 A HN 0.587 nan 8.150 nan 0.000 0.478 209 P HA 0.324 nan 4.420 nan 0.000 0.270 209 P C 0.435 177.658 177.300 -0.128 0.000 1.223 209 P CA 0.036 62.987 63.100 -0.249 0.000 0.785 209 P CB 0.655 32.215 31.700 -0.232 0.000 0.923 210 A N 1.364 124.132 122.820 -0.086 0.000 2.565 210 A HA 0.384 4.704 4.320 0.000 0.000 0.237 210 A C 1.518 179.071 177.584 -0.052 0.000 1.053 210 A CA 0.793 52.795 52.037 -0.058 0.000 0.755 210 A CB -1.423 17.552 19.000 -0.042 0.000 0.980 210 A HN 0.959 nan 8.150 nan 0.000 0.506 211 G N 1.579 110.351 108.800 -0.047 0.000 2.179 211 G HA2 -0.220 3.740 3.960 0.000 0.000 0.260 211 G HA3 -0.220 3.740 3.960 0.000 0.000 0.260 211 G C 0.558 175.421 174.900 -0.062 0.000 0.977 211 G CA 0.448 45.520 45.100 -0.046 0.000 0.641 211 G HN 1.214 nan 8.290 nan 0.000 0.533 212 S N -0.117 115.542 115.700 -0.070 0.000 2.579 212 S HA 0.503 4.973 4.470 0.000 0.000 0.275 212 S C 0.676 175.210 174.600 -0.109 0.000 1.345 212 S CA 0.038 58.186 58.200 -0.086 0.000 1.031 212 S CB 0.911 64.064 63.200 -0.079 0.000 0.892 212 S HN 0.378 nan 8.310 nan 0.000 0.529 213 I N 2.833 123.309 120.570 -0.156 0.000 2.297 213 I HA 0.192 4.362 4.170 0.000 0.000 0.291 213 I C -0.518 175.469 176.117 -0.216 0.000 1.033 213 I CA -0.496 60.682 61.300 -0.203 0.000 1.253 213 I CB 0.804 38.639 38.000 -0.275 0.000 1.396 213 I HN 0.338 nan 8.210 nan 0.000 0.476 214 L N 9.341 130.475 121.223 -0.149 0.000 2.312 214 L HA 0.339 4.679 4.340 0.000 0.000 0.287 214 L C -0.228 176.564 176.870 -0.130 0.000 1.091 214 L CA -0.035 54.744 54.840 -0.102 0.000 0.846 214 L CB 0.720 42.763 42.059 -0.028 0.000 1.219 214 L HN 0.253 nan 8.230 nan 0.000 0.439 215 V N 6.740 126.533 119.914 -0.201 0.000 2.583 215 V HA 0.343 4.464 4.120 0.000 0.000 0.287 215 V C 0.286 176.371 176.094 -0.015 0.000 1.051 215 V CA -0.320 61.854 62.300 -0.210 0.000 1.010 215 V CB 1.155 32.681 31.823 -0.496 0.000 0.988 215 V HN 0.595 nan 8.190 nan 0.000 0.478 216 L N 5.043 126.281 121.223 0.025 0.000 2.410 216 L HA 0.720 5.060 4.340 0.000 0.000 0.270 216 L C -0.631 176.274 176.870 0.058 0.000 0.983 216 L CA -0.557 54.358 54.840 0.125 0.000 0.822 216 L CB 2.235 44.421 42.059 0.212 0.000 1.285 216 L HN 0.860 nan 8.230 nan 0.000 0.409 217 E N 1.025 121.178 120.200 -0.078 0.000 2.429 217 E HA 0.793 5.143 4.350 0.000 0.000 0.276 217 E C -1.732 174.541 176.600 -0.545 0.000 0.953 217 E CA -0.702 55.386 56.400 -0.520 0.000 0.787 217 E CB 2.819 32.481 29.700 -0.064 0.000 1.307 217 E HN 0.333 nan 8.360 nan 0.000 0.458 218 D N -0.332 119.568 120.400 -0.833 0.000 2.692 218 D HA 0.576 5.216 4.640 0.000 0.000 0.303 218 D C -1.792 174.390 176.300 -0.196 0.000 1.278 218 D CA -0.484 53.343 54.000 -0.287 0.000 0.852 218 D CB 2.208 42.993 40.800 -0.025 0.000 1.375 218 D HN 0.389 nan 8.370 nan 0.000 0.453 219 V N -0.418 119.390 119.914 -0.177 0.000 2.969 219 V HA 0.587 4.707 4.120 0.000 0.000 0.304 219 V C 0.105 176.139 176.094 -0.099 0.000 1.192 219 V CA 0.565 62.758 62.300 -0.177 0.000 0.962 219 V CB 1.504 33.020 31.823 -0.510 0.000 1.045 219 V HN 0.958 nan 8.190 nan 0.000 0.428 220 G N 3.800 112.589 108.800 -0.018 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 -0.002 0.000 1.055 220 G CA 0.627 45.719 45.100 -0.013 0.000 0.851 220 G HN 0.839 nan 8.290 nan 0.000 0.500 221 E N 0.094 120.321 120.200 0.045 0.000 2.272 221 E HA 0.416 4.766 4.350 0.000 0.000 0.269 221 E C -2.503 174.143 176.600 0.078 0.000 0.877 221 E CA -1.823 54.594 56.400 0.027 0.000 0.755 221 E CB 2.801 32.520 29.700 0.031 0.000 1.192 221 E HN 0.193 nan 8.360 nan 0.000 0.422 222 P HA 0.048 nan 4.420 nan 0.000 0.272 222 P C 0.521 177.903 177.300 0.137 0.000 1.230 222 P CA -0.184 62.947 63.100 0.051 0.000 0.788 222 P CB 0.782 32.493 31.700 0.018 0.000 0.949 223 Y N 0.697 120.997 120.300 0.001 0.000 2.224 223 Y HA -0.197 4.353 4.550 0.001 0.000 0.289 223 Y C 2.634 178.511 175.900 -0.038 0.000 1.146 223 Y CA 1.219 59.309 58.100 -0.017 0.000 1.182 223 Y CB -2.079 36.392 38.460 0.019 0.000 0.983 223 Y HN 0.457 nan 8.280 nan 0.000 0.524 224 Y N 0.049 120.419 120.300 0.118 0.000 2.274 224 Y HA -0.114 4.435 4.550 -0.000 0.000 0.290 224 Y C 2.182 178.092 175.900 0.015 0.000 1.145 224 Y CA 1.034 59.157 58.100 0.039 0.000 1.203 224 Y CB -0.852 37.615 38.460 0.012 0.000 0.984 224 Y HN -0.141 nan 8.280 nan 0.000 0.533 225 R N 0.588 120.651 120.500 -0.729 0.000 2.090 225 R HA 0.005 4.345 4.340 0.000 0.000 0.228 225 R C 2.233 178.416 176.300 -0.194 0.000 1.110 225 R CA 1.485 57.270 56.100 -0.525 0.000 0.973 225 R CB -0.362 29.610 30.300 -0.548 0.000 0.869 225 R HN 0.413 nan 8.270 nan 0.000 0.440 226 L N 0.489 121.634 121.223 -0.130 0.000 2.046 226 L HA -0.180 4.160 4.340 0.000 0.000 0.208 226 L C 2.613 179.362 176.870 -0.201 0.000 1.077 226 L CA 1.462 56.245 54.840 -0.094 0.000 0.747 226 L CB -0.474 41.536 42.059 -0.083 0.000 0.896 226 L HN 0.273 nan 8.230 nan 0.000 0.432 227 E N 0.639 120.711 120.200 -0.214 0.000 2.051 227 E HA -0.287 4.063 4.350 0.000 0.000 0.192 227 E C 2.366 178.893 176.600 -0.122 0.000 0.991 227 E CA 1.236 57.481 56.400 -0.258 0.000 0.799 227 E CB 0.003 29.647 29.700 -0.094 0.000 0.748 227 E HN 0.261 nan 8.360 nan 0.000 0.449 228 R N 0.154 120.637 120.500 -0.028 0.000 2.096 228 R HA -0.143 4.197 4.340 0.000 0.000 0.240 228 R C 2.413 178.760 176.300 0.078 0.000 1.139 228 R CA 1.974 58.095 56.100 0.035 0.000 0.952 228 R CB -0.249 30.067 30.300 0.028 0.000 0.854 228 R HN 0.082 nan 8.270 nan 0.000 0.436 229 S N 0.732 116.445 115.700 0.021 0.000 2.368 229 S HA -0.144 4.326 4.470 0.000 0.000 0.225 229 S C 1.694 176.329 174.600 0.057 0.000 1.030 229 S CA 1.198 59.429 58.200 0.052 0.000 0.999 229 S CB -0.290 62.936 63.200 0.043 0.000 0.844 229 S HN 0.292 nan 8.310 nan 0.000 0.459 230 L N 0.364 121.563 121.223 -0.040 0.000 2.056 230 L HA 0.014 4.354 4.340 0.000 0.000 0.207 230 L C 1.902 178.742 176.870 -0.050 0.000 1.078 230 L CA 1.608 56.385 54.840 -0.107 0.000 0.749 230 L CB -0.699 41.119 42.059 -0.402 0.000 0.901 230 L HN 0.492 nan 8.230 nan 0.000 0.433 231 W N 0.386 121.566 121.300 -0.201 0.000 2.333 231 W HA -0.314 4.346 4.660 0.001 0.000 0.316 231 W C 2.817 179.370 176.519 0.058 0.000 1.215 231 W CA 2.336 59.704 57.345 0.038 0.000 1.278 231 W CB -0.244 29.287 29.460 0.119 0.000 1.154 231 W HN 0.366 nan 8.180 nan 0.000 0.486 232 Q N -0.054 120.006 119.800 0.433 0.000 2.030 232 Q HA -0.290 4.051 4.340 0.000 0.000 0.204 232 Q C 2.244 178.298 176.000 0.091 0.000 0.986 232 Q CA 2.198 58.177 55.803 0.293 0.000 0.843 232 Q CB -0.657 28.233 28.738 0.254 0.000 0.904 232 Q HN 0.390 nan 8.270 nan 0.000 0.420 233 L N 0.494 121.766 121.223 0.081 0.000 2.017 233 L HA -0.166 4.174 4.340 0.000 0.000 0.208 233 L C 2.116 178.989 176.870 0.006 0.000 1.073 233 L CA 1.672 56.545 54.840 0.055 0.000 0.745 233 L CB -0.437 41.669 42.059 0.080 0.000 0.894 233 L HN 0.340 nan 8.230 nan 0.000 0.432 234 L N -0.966 120.242 121.223 -0.026 0.000 2.093 234 L HA -0.122 4.218 4.340 0.000 0.000 0.208 234 L C 2.463 179.245 176.870 -0.147 0.000 1.085 234 L CA 0.802 55.607 54.840 -0.058 0.000 0.755 234 L CB -0.716 41.331 42.059 -0.020 0.000 0.904 234 L HN 0.286 nan 8.230 nan 0.000 0.435 235 E N 0.102 120.132 120.200 -0.282 0.000 2.268 235 E HA -0.146 4.205 4.350 0.000 0.000 0.195 235 E C 2.220 178.724 176.600 -0.160 0.000 0.995 235 E CA 1.422 57.609 56.400 -0.354 0.000 0.836 235 E CB 0.043 29.313 29.700 -0.716 0.000 0.763 235 E HN 0.526 nan 8.360 nan 0.000 0.491 236 S N -0.053 115.599 115.700 -0.081 0.000 2.517 236 S HA 0.093 4.564 4.470 0.000 0.000 0.214 236 S C 1.169 175.761 174.600 -0.012 0.000 0.991 236 S CA -0.400 57.788 58.200 -0.021 0.000 0.906 236 S CB -0.281 62.932 63.200 0.021 0.000 0.789 236 S HN 0.257 nan 8.310 nan 0.000 0.513 237 I N -1.996 118.559 120.570 -0.025 0.000 3.264 237 I HA 0.615 4.785 4.170 0.000 0.000 0.309 237 I C -1.027 175.070 176.117 -0.035 0.000 1.099 237 I CA -1.024 60.264 61.300 -0.020 0.000 0.989 237 I CB 1.181 39.176 38.000 -0.009 0.000 1.250 237 I HN -0.251 nan 8.210 nan 0.000 0.478 238 D N 2.018 122.398 120.400 -0.034 0.000 2.558 238 D HA 0.381 5.021 4.640 0.000 0.000 0.221 238 D C 1.015 177.293 176.300 -0.035 0.000 1.143 238 D CA 0.124 54.102 54.000 -0.037 0.000 1.010 238 D CB 0.849 41.627 40.800 -0.036 0.000 1.068 238 D HN 0.669 nan 8.370 nan 0.000 0.511 239 A N 3.551 126.350 122.820 -0.036 0.000 1.933 239 A HA -0.163 4.158 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 52.917 52.037 -0.025 0.000 0.628 239 A CB -0.118 18.866 19.000 -0.027 0.000 0.814 239 A HN 0.462 nan 8.150 nan 0.000 0.444 240 R N -0.513 119.972 120.500 -0.024 0.000 2.237 240 R HA -0.070 4.270 4.340 0.000 0.000 0.219 240 R C 1.643 177.933 176.300 -0.017 0.000 1.080 240 R CA 1.197 57.286 56.100 -0.018 0.000 0.995 240 R CB -0.135 30.153 30.300 -0.020 0.000 0.875 240 R HN 0.660 nan 8.270 nan 0.000 0.462 241 Q N 0.229 120.015 119.800 -0.023 0.000 2.360 241 Q HA 0.144 4.484 4.340 0.000 0.000 0.202 241 Q C 0.072 176.054 176.000 -0.030 0.000 0.915 241 Q CA -0.084 55.704 55.803 -0.025 0.000 0.943 241 Q CB 0.391 29.111 28.738 -0.030 0.000 1.064 241 Q HN 0.284 nan 8.270 nan 0.000 0.511 242 L N -0.346 120.860 121.223 -0.028 0.000 2.483 242 L HA 0.019 4.360 4.340 0.000 0.000 0.275 242 L C 1.603 178.454 176.870 -0.032 0.000 1.220 242 L CA 0.025 54.844 54.840 -0.034 0.000 0.833 242 L CB 0.380 42.423 42.059 -0.026 0.000 1.102 242 L HN 0.161 nan 8.230 nan 0.000 0.490 243 G N 1.160 109.931 108.800 -0.047 0.000 2.396 243 G HA2 0.325 4.285 3.960 0.000 0.000 0.214 243 G HA3 0.325 4.285 3.960 0.000 0.000 0.214 243 G C 0.295 175.169 174.900 -0.043 0.000 1.166 243 G CA 0.866 45.937 45.100 -0.049 0.000 0.793 243 G HN 0.767 nan 8.290 nan 0.000 0.533 244 A N -1.230 121.556 122.820 -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 -0.032 0.000 1.066 244 A CA -0.665 51.355 52.037 -0.027 0.000 0.676 244 A CB 0.734 19.680 19.000 -0.089 0.000 1.277 244 A HN 0.119 nan 8.150 nan 0.000 0.413 245 I N 0.488 121.068 120.570 0.017 0.000 2.377 245 I HA 0.485 4.656 4.170 0.000 0.000 0.293 245 I C -0.510 175.610 176.117 0.005 0.000 0.987 245 I CA -0.452 60.846 61.300 -0.003 0.000 1.185 245 I CB 1.700 39.715 38.000 0.025 0.000 1.341 245 I HN 0.628 nan 8.210 nan 0.000 0.455 246 C N 8.117 127.377 119.300 -0.066 0.000 2.356 246 C HA 0.497 4.958 4.460 0.000 0.000 0.324 246 C C -0.214 174.729 174.990 -0.078 0.000 1.167 246 C CA -0.649 58.326 59.018 -0.071 0.000 1.420 246 C CB -0.431 27.185 27.740 -0.207 0.000 2.036 246 C HN 0.655 nan 8.230 nan 0.000 0.435 247 L N 6.408 127.607 121.223 -0.042 0.000 2.319 247 L HA 0.465 4.805 4.340 0.000 0.000 0.280 247 L C 1.296 178.201 176.870 0.059 0.000 1.099 247 L CA 0.241 55.081 54.840 -0.002 0.000 0.828 247 L CB 0.748 42.757 42.059 -0.083 0.000 1.150 247 L HN 0.862 nan 8.230 nan 0.000 0.442 248 G N 1.940 110.786 108.800 0.077 0.000 2.582 248 G HA2 0.300 4.260 3.960 0.000 0.000 0.232 248 G HA3 0.300 4.260 3.960 0.000 0.000 0.232 248 G C -0.034 174.949 174.900 0.138 0.000 1.458 248 G CA -0.287 44.865 45.100 0.088 0.000 1.062 248 G HN 0.637 nan 8.290 nan 0.000 0.566 249 S N -1.403 114.346 115.700 0.082 0.000 2.601 249 S HA 0.560 5.030 4.470 0.000 0.000 0.271 249 S C -1.012 173.538 174.600 -0.083 0.000 1.305 249 S CA -0.460 57.818 58.200 0.130 0.000 1.022 249 S CB 1.054 64.331 63.200 0.127 0.000 0.940 249 S HN 0.275 nan 8.310 nan 0.000 0.525 250 F N 1.404 121.440 119.950 0.144 0.000 2.443 250 F HA 0.344 4.871 4.527 -0.000 0.000 0.369 250 F C 0.778 176.666 175.800 0.148 0.000 1.090 250 F CA -0.569 57.518 58.000 0.146 0.000 1.129 250 F CB 1.472 40.556 39.000 0.140 0.000 1.367 250 F HN 0.788 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 0.055 174.835 174.700 0.135 0.000 1.014 251 T CA -0.748 61.450 62.100 0.163 0.000 1.037 251 T CB 1.613 70.569 68.868 0.146 0.000 1.006 251 T HN 0.465 nan 8.240 nan 0.000 0.468 252 D N 0.001 120.478 120.400 0.128 0.000 2.751 252 D HA -0.143 4.497 4.640 0.000 0.000 0.233 252 D C -0.690 175.679 176.300 0.114 0.000 1.149 252 D CA 0.396 54.456 54.000 0.100 0.000 0.682 252 D CB -1.495 39.344 40.800 0.064 0.000 1.068 252 D HN 0.715 nan 8.370 nan 0.000 0.429 253 C N 2.160 121.569 119.300 0.181 0.000 2.206 253 C HA 0.319 4.779 4.460 0.000 0.000 0.324 253 C C -1.651 173.474 174.990 0.224 0.000 1.120 253 C CA -1.409 57.751 59.018 0.237 0.000 1.546 253 C CB 0.675 28.634 27.740 0.366 0.000 2.023 253 C HN 0.181 nan 8.230 nan 0.000 0.448 254 P HA 0.131 nan 4.420 nan 0.000 0.271 254 P C 0.528 177.688 177.300 -0.233 0.000 1.226 254 P CA 0.184 63.273 63.100 -0.018 0.000 0.765 254 P CB 0.778 32.469 31.700 -0.015 0.000 0.835 255 R N 3.738 124.026 120.500 -0.354 0.000 2.115 255 R HA -0.060 4.280 4.340 0.000 0.000 0.226 255 R C 0.462 176.503 176.300 -0.433 0.000 1.100 255 R CA 0.631 56.272 56.100 -0.766 0.000 0.980 255 R CB -0.295 29.760 30.300 -0.409 0.000 0.875 255 R HN 0.367 nan 8.270 nan 0.000 0.445 256 K N 1.224 121.498 120.400 -0.209 0.000 3.278 256 K HA -0.193 4.127 4.320 0.000 0.000 0.270 256 K C -0.737 175.801 176.600 -0.105 0.000 0.955 256 K CA 0.785 56.998 56.287 -0.123 0.000 0.723 256 K CB -0.763 31.680 32.500 -0.096 0.000 1.382 256 K HN 0.420 nan 8.250 nan 0.000 0.461 257 E N -3.593 116.553 120.200 -0.089 0.000 3.801 257 E HA -0.195 4.155 4.350 0.000 0.000 0.319 257 E C 0.076 176.641 176.600 -0.059 0.000 0.784 257 E CA 1.296 57.662 56.400 -0.057 0.000 1.183 257 E CB -1.903 27.771 29.700 -0.043 0.000 1.601 257 E HN 0.364 nan 8.360 nan 0.000 0.441 258 V N 1.011 120.870 119.914 -0.093 0.000 2.673 258 V HA 0.188 4.308 4.120 0.000 0.000 0.303 258 V C 1.932 178.027 176.094 0.002 0.000 1.046 258 V CA 1.024 63.290 62.300 -0.055 0.000 1.126 258 V CB 1.384 33.175 31.823 -0.053 0.000 0.934 258 V HN 0.420 nan 8.190 nan 0.000 0.487 259 A N 3.962 126.761 122.820 -0.036 0.000 2.014 259 A HA -0.017 4.303 4.320 0.000 0.000 0.218 259 A C 0.905 178.603 177.584 0.190 0.000 1.163 259 A CA 0.826 52.869 52.037 0.010 0.000 0.652 259 A CB -0.416 18.533 19.000 -0.084 0.000 0.808 259 A HN 0.924 nan 8.150 nan 0.000 0.449 260 H N -0.079 119.052 119.070 0.101 0.000 2.457 260 H HA 0.404 4.960 4.556 0.000 0.000 0.335 260 H C 0.276 175.709 175.328 0.176 0.000 1.115 260 H CA -0.436 55.676 56.048 0.107 0.000 1.219 260 H CB 1.444 31.257 29.762 0.086 0.000 1.471 260 H HN 0.390 nan 8.280 nan 0.000 0.491 261 S N 2.125 117.976 115.700 0.251 0.000 2.589 261 S HA -0.037 4.433 4.470 0.000 0.000 0.265 261 S C 1.261 175.892 174.600 0.052 0.000 1.342 261 S CA -0.702 57.624 58.200 0.211 0.000 1.005 261 S CB 0.979 64.254 63.200 0.125 0.000 0.909 261 S HN 0.524 nan 8.310 nan 0.000 0.555 262 L N 1.114 122.239 121.223 -0.162 0.000 2.083 262 L HA -0.027 4.313 4.340 0.000 0.000 0.209 262 L C 2.494 179.306 176.870 -0.098 0.000 1.083 262 L CA 1.863 56.445 54.840 -0.430 0.000 0.752 262 L CB -1.132 40.528 42.059 -0.666 0.000 0.899 262 L HN 0.897 nan 8.230 nan 0.000 0.433 263 E N -1.016 119.167 120.200 -0.028 0.000 2.150 263 E HA -0.247 4.103 4.350 0.000 0.000 0.193 263 E C 2.245 178.841 176.600 -0.006 0.000 0.985 263 E CA 0.852 57.246 56.400 -0.010 0.000 0.814 263 E CB -0.130 29.523 29.700 -0.078 0.000 0.752 263 E HN 0.435 nan 8.360 nan 0.000 0.466 264 R N 1.096 121.586 120.500 -0.017 0.000 2.081 264 R HA -0.143 4.197 4.340 0.000 0.000 0.235 264 R C 2.243 178.536 176.300 -0.011 0.000 1.131 264 R CA 1.188 57.263 56.100 -0.041 0.000 0.960 264 R CB -0.172 30.079 30.300 -0.083 0.000 0.856 264 R HN 0.116 nan 8.270 nan 0.000 0.436 265 I N 0.012 120.585 120.570 0.006 0.000 2.142 265 I HA -0.274 3.897 4.170 0.000 0.000 0.240 265 I C 1.920 178.075 176.117 0.063 0.000 1.078 265 I CA 1.345 62.660 61.300 0.025 0.000 1.343 265 I CB -0.355 37.589 38.000 -0.093 0.000 1.046 265 I HN 0.121 nan 8.210 nan 0.000 0.405 266 F N 1.116 121.040 119.950 -0.042 0.000 2.171 266 F HA -0.123 4.405 4.527 0.000 0.000 0.300 266 F C 2.520 178.335 175.800 0.025 0.000 1.090 266 F CA 1.584 59.560 58.000 -0.040 0.000 1.293 266 F CB -1.073 37.828 39.000 -0.164 0.000 1.013 266 F HN 0.026 nan 8.300 nan 0.000 0.486 267 G N -0.715 108.176 108.800 0.152 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 0.666 45.800 45.100 0.057 0.000 0.776 267 G HN 0.340 nan 8.290 nan 0.000 0.542 268 E N -0.533 119.703 120.200 0.061 0.000 2.072 268 E HA -0.116 4.234 4.350 0.000 0.000 0.191 268 E C 2.144 178.724 176.600 -0.033 0.000 0.985 268 E CA 0.821 57.218 56.400 -0.005 0.000 0.801 268 E CB -0.187 29.495 29.700 -0.030 0.000 0.750 268 E HN 0.587 nan 8.360 nan 0.000 0.452 269 Y N 0.483 120.792 120.300 0.016 0.000 2.200 269 Y HA -0.164 4.386 4.550 0.000 0.000 0.290 269 Y C 2.385 178.299 175.900 0.024 0.000 1.137 269 Y CA 1.146 59.261 58.100 0.025 0.000 1.163 269 Y CB -0.422 38.057 38.460 0.033 0.000 0.988 269 Y HN 0.043 nan 8.280 nan 0.000 0.518 270 A N -0.094 122.832 122.820 0.177 0.000 1.933 270 A HA -0.122 4.198 4.320 0.000 0.000 0.218 270 A C 2.404 180.012 177.584 0.040 0.000 1.175 270 A CA 1.716 53.812 52.037 0.098 0.000 0.628 270 A CB -1.169 17.879 19.000 0.079 0.000 0.814 270 A HN 0.402 nan 8.150 nan 0.000 0.444 271 A N -0.173 122.658 122.820 0.018 0.000 1.930 271 A HA 0.213 4.533 4.320 0.000 0.000 0.217 271 A C 2.461 180.033 177.584 -0.020 0.000 1.175 271 A CA 1.829 53.861 52.037 -0.009 0.000 0.627 271 A CB -0.903 18.083 19.000 -0.023 0.000 0.815 271 A HN 1.026 nan 8.150 nan 0.000 0.443 272 A N 0.486 123.282 122.820 -0.040 0.000 1.972 272 A HA -0.046 4.274 4.320 0.000 0.000 0.219 272 A C 1.953 179.516 177.584 -0.035 0.000 1.169 272 A CA 1.494 53.495 52.037 -0.060 0.000 0.635 272 A CB -0.700 18.224 19.000 -0.126 0.000 0.810 272 A HN 1.017 nan 8.150 nan 0.000 0.446 273 I N -4.722 115.841 120.570 -0.012 0.000 3.883 273 I HA 0.266 4.436 4.170 0.000 0.000 0.326 273 I C -0.092 176.025 176.117 -0.000 0.000 1.283 273 I CA 0.343 61.639 61.300 -0.007 0.000 1.161 273 I CB -0.296 37.706 38.000 0.004 0.000 1.012 273 I HN 0.245 nan 8.210 nan 0.000 0.421 274 E N 0.892 121.093 120.200 0.002 0.000 2.320 274 E HA -0.136 4.214 4.350 0.000 0.000 0.234 274 E C -0.717 175.889 176.600 0.010 0.000 1.183 274 E CA 0.084 56.488 56.400 0.007 0.000 0.713 274 E CB -1.398 28.307 29.700 0.009 0.000 1.226 274 E HN 0.424 nan 8.360 nan 0.000 0.382 275 V N 0.956 120.876 119.914 0.011 0.000 2.604 275 V HA 0.424 4.544 4.120 0.000 0.000 0.305 275 V C -1.691 174.408 176.094 0.008 0.000 1.043 275 V CA -1.646 60.661 62.300 0.011 0.000 0.888 275 V CB 1.854 33.687 31.823 0.016 0.000 0.995 275 V HN 0.065 nan 8.190 nan 0.000 0.429 276 P HA 0.263 nan 4.420 nan 0.000 0.272 276 P C -1.123 176.183 177.300 0.010 0.000 1.223 276 P CA -0.341 62.747 63.100 -0.020 0.000 0.784 276 P CB 1.328 32.980 31.700 -0.081 0.000 0.923 277 L N 3.357 124.544 121.223 -0.059 0.000 2.333 277 L HA 0.479 4.819 4.340 0.000 0.000 0.280 277 L C -1.175 175.608 176.870 -0.146 0.000 1.004 277 L CA -0.838 53.983 54.840 -0.032 0.000 0.820 277 L CB 0.793 42.821 42.059 -0.051 0.000 1.247 277 L HN 0.263 nan 8.230 nan 0.000 0.416 278 Y N 3.346 123.607 120.300 -0.065 0.000 2.587 278 Y HA 0.715 5.265 4.550 0.000 0.000 0.337 278 Y C -0.069 175.853 175.900 0.037 0.000 1.065 278 Y CA -0.431 57.668 58.100 -0.002 0.000 1.126 278 Y CB 1.853 40.261 38.460 -0.086 0.000 1.279 278 Y HN 0.802 nan 8.280 nan 0.000 0.489 279 H N -3.480 115.582 119.070 -0.014 0.000 2.948 279 H HA 0.439 4.995 4.556 0.000 0.000 0.315 279 H C -1.017 174.242 175.328 -0.116 0.000 1.360 279 H CA -1.093 54.851 56.048 -0.174 0.000 1.125 279 H CB 1.220 30.744 29.762 -0.397 0.000 1.844 279 H HN 0.828 nan 8.280 nan 0.000 0.529 280 H N -1.548 117.450 119.070 -0.119 0.000 2.992 280 H HA -0.171 4.385 4.556 0.000 0.000 0.266 280 H C -0.474 174.817 175.328 -0.062 0.000 1.200 280 H CA 0.323 56.278 56.048 -0.155 0.000 1.135 280 H CB -1.107 28.452 29.762 -0.339 0.000 1.282 280 H HN 0.463 nan 8.280 nan 0.000 0.351 281 L N 3.362 124.619 121.223 0.057 0.000 2.499 281 L HA 0.141 4.481 4.340 0.000 0.000 0.273 281 L C -1.596 175.315 176.870 0.070 0.000 1.195 281 L CA -1.122 53.737 54.840 0.032 0.000 0.882 281 L CB 0.510 42.547 42.059 -0.037 0.000 1.133 281 L HN -0.086 nan 8.230 nan 0.000 0.483 282 P HA 0.095 nan 4.420 nan 0.000 0.231 282 P C -0.998 176.362 177.300 0.100 0.000 1.811 282 P CA -0.050 63.093 63.100 0.073 0.000 1.051 282 P CB 0.308 32.038 31.700 0.050 0.000 1.951 283 S N 1.053 116.828 115.700 0.124 0.000 2.572 283 S HA 0.765 5.236 4.470 0.000 0.000 0.274 283 S C -0.318 174.380 174.600 0.163 0.000 1.150 283 S CA 0.136 58.452 58.200 0.194 0.000 0.944 283 S CB 1.145 64.574 63.200 0.381 0.000 1.071 283 S HN 0.561 nan 8.310 nan 0.000 0.479 284 G N 3.407 112.256 108.800 0.083 0.000 2.302 284 G HA2 0.077 4.037 3.960 0.000 0.000 0.264 284 G HA3 0.077 4.037 3.960 0.000 0.000 0.264 284 G C -0.599 174.318 174.900 0.028 0.000 1.335 284 G CA -0.460 44.721 45.100 0.135 0.000 0.982 284 G HN 0.682 nan 8.290 nan 0.000 0.473 285 H N 0.296 119.472 119.070 0.176 0.000 2.539 285 H HA 0.385 4.941 4.556 0.000 0.000 0.267 285 H C 1.802 177.196 175.328 0.111 0.000 0.982 285 H CA 1.173 57.355 56.048 0.223 0.000 1.146 285 H CB 0.263 30.145 29.762 0.199 0.000 1.382 285 H HN 0.672 nan 8.280 nan 0.000 0.577 286 G N -0.575 108.315 108.800 0.150 0.000 2.494 286 G HA2 0.299 4.259 3.960 0.000 0.000 0.270 286 G HA3 0.299 4.259 3.960 0.000 0.000 0.270 286 G C 1.275 176.201 174.900 0.042 0.000 1.423 286 G CA 0.039 45.198 45.100 0.098 0.000 1.055 286 G HN 0.355 nan 8.290 nan 0.000 0.536 287 A N -1.510 121.333 122.820 0.038 0.000 1.972 287 A HA 0.049 4.369 4.320 0.000 0.000 0.219 287 A C 1.502 179.083 177.584 -0.005 0.000 1.169 287 A CA 0.995 53.043 52.037 0.018 0.000 0.635 287 A CB -0.268 18.748 19.000 0.026 0.000 0.810 287 A HN 0.461 nan 8.150 nan 0.000 0.446 288 Q N 0.556 120.357 119.800 0.002 0.000 2.361 288 Q HA 0.217 4.557 4.340 0.000 0.000 0.250 288 Q C -1.106 174.873 176.000 -0.035 0.000 1.023 288 Q CA -0.009 55.790 55.803 -0.006 0.000 0.915 288 Q CB 0.459 29.208 28.738 0.018 0.000 1.238 288 Q HN 0.427 nan 8.270 nan 0.000 0.451 289 N N 2.719 121.369 118.700 -0.084 0.000 2.697 289 N HA 0.073 4.813 4.740 0.000 0.000 0.253 289 N C -1.304 174.125 175.510 -0.134 0.000 1.604 289 N CA -0.301 52.648 53.050 -0.168 0.000 0.772 289 N CB 0.496 38.735 38.487 -0.413 0.000 1.267 289 N HN 0.184 nan 8.380 nan 0.000 0.510 290 R N 0.695 121.187 120.500 -0.014 0.000 2.389 290 R HA 0.444 4.784 4.340 0.000 0.000 0.295 290 R C 0.247 176.585 176.300 0.064 0.000 1.075 290 R CA -0.392 55.721 56.100 0.022 0.000 1.005 290 R CB 0.269 30.621 30.300 0.087 0.000 0.987 290 R HN 0.452 nan 8.270 nan 0.000 0.452 291 A N 4.971 127.770 122.820 -0.035 0.000 2.498 291 A HA 0.293 4.613 4.320 0.000 0.000 0.239 291 A C -0.188 177.417 177.584 0.036 0.000 1.068 291 A CA -0.133 51.833 52.037 -0.120 0.000 0.766 291 A CB 0.208 19.082 19.000 -0.210 0.000 1.003 291 A HN 0.773 nan 8.150 nan 0.000 0.497 292 W N 0.952 122.148 121.300 -0.174 0.000 3.127 292 W HA 0.563 5.223 4.660 0.000 0.000 0.330 292 W C -3.239 172.964 176.519 -0.527 0.000 1.187 292 W CA -2.721 54.312 57.345 -0.521 0.000 1.198 292 W CB 1.292 30.487 29.460 -0.441 0.000 1.408 292 W HN 0.438 nan 8.180 nan 0.000 0.529 293 P HA 0.077 nan 4.420 nan 0.000 0.282 293 P C -1.195 176.039 177.300 -0.109 0.000 1.274 293 P CA 0.276 63.156 63.100 -0.366 0.000 0.770 293 P CB 0.844 32.202 31.700 -0.569 0.000 0.867 294 Y N 3.223 123.437 120.300 -0.143 0.000 2.393 294 Y HA 0.380 4.930 4.550 0.000 0.000 0.338 294 Y C 1.601 177.409 175.900 -0.153 0.000 1.029 294 Y CA 1.572 59.646 58.100 -0.044 0.000 1.239 294 Y CB 0.300 38.691 38.460 -0.116 0.000 1.170 294 Y HN 0.816 nan 8.280 nan 0.000 0.515 295 G N 3.842 112.308 108.800 -0.555 0.000 2.176 295 G HA2 -0.257 3.703 3.960 0.000 0.000 0.253 295 G HA3 -0.257 3.703 3.960 0.000 0.000 0.253 295 G C 0.198 174.857 174.900 -0.401 0.000 0.979 295 G CA -0.052 44.531 45.100 -0.862 0.000 0.641 295 G HN 0.541 nan 8.290 nan 0.000 0.530 296 K N 0.600 120.860 120.400 -0.234 0.000 2.090 296 K HA 0.499 4.819 4.320 0.000 0.000 0.250 296 K C 0.312 176.858 176.600 -0.090 0.000 1.004 296 K CA -0.193 56.023 56.287 -0.117 0.000 0.919 296 K CB 0.585 33.027 32.500 -0.097 0.000 1.045 296 K HN 0.088 nan 8.250 nan 0.000 0.471 297 T N 1.333 115.871 114.554 -0.026 0.000 2.851 297 T HA 0.348 4.698 4.350 0.000 0.000 0.298 297 T C -0.284 174.430 174.700 0.024 0.000 0.977 297 T CA -0.317 61.776 62.100 -0.012 0.000 1.126 297 T CB 0.918 69.791 68.868 0.008 0.000 0.916 297 T HN 0.634 nan 8.240 nan 0.000 0.529 298 A N 2.743 125.564 122.820 0.001 0.000 2.532 298 A HA 0.835 5.156 4.320 0.000 0.000 0.290 298 A C -1.179 176.392 177.584 -0.023 0.000 1.143 298 A CA -0.711 51.355 52.037 0.049 0.000 0.728 298 A CB 1.574 20.622 19.000 0.081 0.000 1.317 298 A HN 0.619 nan 8.150 nan 0.000 0.414 299 V N 0.883 120.783 119.914 -0.023 0.000 2.531 299 V HA 0.380 4.501 4.120 0.000 0.000 0.301 299 V C -0.650 175.373 176.094 -0.120 0.000 1.034 299 V CA -0.272 61.987 62.300 -0.069 0.000 0.865 299 V CB 1.464 33.263 31.823 -0.041 0.000 0.995 299 V HN 0.698 nan 8.190 nan 0.000 0.424 300 L N 5.927 127.033 121.223 -0.196 0.000 2.295 300 L HA 0.516 4.856 4.340 0.000 0.000 0.288 300 L C 0.248 177.040 176.870 -0.131 0.000 1.079 300 L CA 0.153 54.827 54.840 -0.277 0.000 0.830 300 L CB 0.386 42.071 42.059 -0.623 0.000 1.200 300 L HN 0.821 nan 8.230 nan 0.000 0.438 301 E N 2.424 122.583 120.200 -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 0.023 0.000 0.881 301 E CA -0.507 55.890 56.400 -0.005 0.000 0.754 301 E CB 1.915 31.606 29.700 -0.014 0.000 1.201 301 E HN 0.517 nan 8.360 nan 0.000 0.425 302 G N 4.305 113.141 108.800 0.060 0.000 2.660 302 G HA2 -0.450 3.511 3.960 0.000 0.000 0.321 302 G HA3 -0.450 3.511 3.960 0.000 0.000 0.321 302 G C 0.456 175.405 174.900 0.083 0.000 1.246 302 G CA 0.957 46.095 45.100 0.064 0.000 1.000 302 G HN 0.935 nan 8.290 nan 0.000 0.550 303 N N 1.224 119.953 118.700 0.049 0.000 2.238 303 N HA 0.256 4.996 4.740 0.000 0.000 0.222 303 N C 0.564 176.086 175.510 0.021 0.000 1.133 303 N CA 0.799 53.880 53.050 0.052 0.000 0.854 303 N CB 0.128 38.635 38.487 0.033 0.000 1.041 303 N HN 1.148 nan 8.380 nan 0.000 0.510 304 R N -1.508 118.990 120.500 -0.004 0.000 2.764 304 R HA 0.595 4.935 4.340 0.000 0.000 0.270 304 R C -1.734 174.515 176.300 -0.086 0.000 1.014 304 R CA -1.139 54.930 56.100 -0.050 0.000 0.904 304 R CB 0.716 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 1.449 122.612 121.223 -0.099 0.000 2.287 305 L HA 0.555 4.895 4.340 0.000 0.000 0.287 305 L C -0.761 176.061 176.870 -0.081 0.000 1.022 305 L CA -0.304 54.479 54.840 -0.094 0.000 0.814 305 L CB 1.300 43.312 42.059 -0.079 0.000 1.217 305 L HN 0.743 nan 8.230 nan 0.000 0.420 306 R N 4.627 125.092 120.500 -0.059 0.000 2.561 306 R HA 0.569 4.910 4.340 0.000 0.000 0.297 306 R C -1.680 174.648 176.300 0.047 0.000 0.969 306 R CA -0.636 55.384 56.100 -0.133 0.000 0.879 306 R CB 1.262 31.499 30.300 -0.105 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