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 2dpn_1_A DATA FIRST_RESID 3 DATA SEQUENCE FLLALDQGTT SSRAILFTLE GRPVAVAKRE FRQLYPKPGW VEHDPLEIWE DATA SEQUENCE TTLWAAREVL RRAGAEAGEV LALGITNQRE TTLLWDRKTG KPLHNAIVWQ DATA SEQUENCE DRRTTPLCEA LRAKGLEPLF RERTGLLFDP YFSGTKLVWL LENVPGLKAR DATA SEQUENCE AEGGGVAFGT VDTWLIWNLT GGKVHATDPT NASRTLLFNL HTLAWDPELL DATA SEQUENCE EALGIPAALL PEVRPSDGDF GETLPELLGA PVPIRGVLGD QQAALFGQAA DATA SEQUENCE LGGGEGKCTY GTGAFLLLNT GKRPVLSEKG LLATVAWSLG GRATYALEGS DATA SEQUENCE LFVAGAAVGW LKEVGLIRES AEVEALAASV EDTGDVYFVP AFTGLGAPYW DATA SEQUENCE DPYARGTLLG LTRGTSRAHL ARAALEGVAF QVRDVVLAME EEAGVRLKVL DATA SEQUENCE KADGGMAQNR LFLKIQADLL GVPVAVPEVT ETTALGAALM AGVGAGALSP DATA SEQUENCE EDVAGRFREA ERFLPTMPEG RREALYRRWR EAVERAKGWA RE 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 3 F HA 0.000 nan 4.527 nan 0.000 0.279 3 F C 0.000 175.838 175.800 0.063 0.000 0.967 3 F CA 0.000 58.030 58.000 0.050 0.000 1.383 3 F CB 0.000 39.019 39.000 0.032 0.000 1.145 4 L N 4.339 125.761 121.223 0.331 0.000 2.325 4 L HA 0.551 4.900 4.340 0.016 0.000 0.281 4 L C -1.064 175.943 176.870 0.227 0.000 1.004 4 L CA -1.027 53.945 54.840 0.220 0.000 0.823 4 L CB 1.773 43.933 42.059 0.169 0.000 1.236 4 L HN 0.409 nan 8.230 nan 0.000 0.415 5 L N 3.936 125.252 121.223 0.155 0.000 2.289 5 L HA 0.771 5.121 4.340 0.016 0.000 0.285 5 L C -0.204 176.743 176.870 0.130 0.000 1.049 5 L CA -0.187 54.725 54.840 0.121 0.000 0.804 5 L CB 1.386 43.482 42.059 0.061 0.000 1.195 5 L HN 0.643 nan 8.230 nan 0.000 0.428 6 A N 5.297 128.218 122.820 0.167 0.000 2.356 6 A HA 0.748 5.078 4.320 0.016 0.000 0.310 6 A C -1.611 176.042 177.584 0.115 0.000 1.075 6 A CA -0.499 51.631 52.037 0.154 0.000 0.746 6 A CB 0.999 20.151 19.000 0.254 0.000 1.221 6 A HN 0.530 nan 8.150 nan 0.000 0.443 7 L N 2.601 123.874 121.223 0.084 0.000 2.294 7 L HA 0.404 4.754 4.340 0.016 0.000 0.283 7 L C -0.506 176.418 176.870 0.090 0.000 1.015 7 L CA -0.110 54.779 54.840 0.080 0.000 0.831 7 L CB 1.349 43.449 42.059 0.069 0.000 1.217 7 L HN 0.698 nan 8.230 nan 0.000 0.420 8 D N 3.011 123.477 120.400 0.110 0.000 2.443 8 D HA 0.102 4.752 4.640 0.016 0.000 0.221 8 D C -0.420 175.965 176.300 0.143 0.000 1.097 8 D CA -0.264 53.808 54.000 0.120 0.000 0.865 8 D CB 0.894 41.773 40.800 0.133 0.000 1.034 8 D HN 0.230 nan 8.370 nan 0.000 0.511 9 Q N 3.440 123.325 119.800 0.143 0.000 2.571 9 Q HA 0.378 4.727 4.340 0.016 0.000 0.222 9 Q C 0.078 176.216 176.000 0.229 0.000 1.167 9 Q CA -0.577 55.331 55.803 0.176 0.000 0.966 9 Q CB 0.645 29.471 28.738 0.146 0.000 1.274 9 Q HN 0.626 nan 8.270 nan 0.000 0.552 10 G N 1.566 110.534 108.800 0.280 0.000 2.553 10 G HA2 0.150 4.119 3.960 0.016 0.000 0.278 10 G HA3 0.150 4.119 3.960 0.016 0.000 0.278 10 G C 0.666 175.848 174.900 0.470 0.000 1.349 10 G CA 0.014 45.303 45.100 0.314 0.000 1.037 10 G HN 0.535 nan 8.290 nan 0.000 0.508 11 T N -0.732 114.093 114.554 0.452 0.000 2.896 11 T HA -0.024 4.335 4.350 0.016 0.000 0.263 11 T C 2.458 177.325 174.700 0.279 0.000 1.050 11 T CA 1.747 64.180 62.100 0.555 0.000 1.140 11 T CB -0.150 69.071 68.868 0.588 0.000 0.877 11 T HN 0.380 nan 8.240 nan 0.000 0.457 12 T N 1.478 116.045 114.554 0.020 0.000 3.033 12 T HA 0.189 4.549 4.350 0.016 0.000 0.248 12 T C 0.888 175.116 174.700 -0.786 0.000 1.040 12 T CA 0.532 62.408 62.100 -0.372 0.000 1.133 12 T CB 0.133 68.933 68.868 -0.113 0.000 0.895 12 T HN 0.516 nan 8.240 nan 0.000 0.465 13 S N -0.298 115.284 115.700 -0.198 0.000 2.671 13 S HA 0.669 5.149 4.470 0.016 0.000 0.277 13 S C -1.244 173.608 174.600 0.420 0.000 1.165 13 S CA -0.852 57.398 58.200 0.084 0.000 0.822 13 S CB 2.083 65.297 63.200 0.023 0.000 1.150 13 S HN -0.028 nan 8.310 nan 0.000 0.479 14 S N 0.645 116.566 115.700 0.368 0.000 2.474 14 S HA 0.553 5.033 4.470 0.016 0.000 0.321 14 S C -0.308 174.414 174.600 0.204 0.000 1.080 14 S CA -0.773 57.587 58.200 0.265 0.000 1.106 14 S CB 0.599 63.921 63.200 0.203 0.000 0.984 14 S HN 0.540 nan 8.310 nan 0.000 0.464 15 R N 1.389 121.991 120.500 0.170 0.000 2.674 15 R HA 0.836 5.185 4.340 0.016 0.000 0.266 15 R C -0.723 175.641 176.300 0.108 0.000 1.016 15 R CA -0.701 55.481 56.100 0.138 0.000 1.062 15 R CB 1.542 31.916 30.300 0.124 0.000 1.142 15 R HN 0.650 nan 8.270 nan 0.000 0.517 16 A N 2.489 125.350 122.820 0.068 0.000 2.437 16 A HA 0.528 4.857 4.320 0.016 0.000 0.293 16 A C -1.263 176.306 177.584 -0.026 0.000 1.038 16 A CA -0.660 51.391 52.037 0.024 0.000 0.708 16 A CB 1.145 20.132 19.000 -0.022 0.000 1.251 16 A HN 0.396 nan 8.150 nan 0.000 0.409 17 I N 2.193 122.750 120.570 -0.021 0.000 2.608 17 I HA 0.494 4.674 4.170 0.016 0.000 0.295 17 I C -0.990 175.014 176.117 -0.188 0.000 1.049 17 I CA -0.834 60.361 61.300 -0.175 0.000 1.063 17 I CB 1.592 39.449 38.000 -0.238 0.000 1.248 17 I HN 0.589 nan 8.210 nan 0.000 0.424 18 L N 6.147 127.153 121.223 -0.362 0.000 2.294 18 L HA 0.595 4.945 4.340 0.016 0.000 0.283 18 L C -1.164 175.469 176.870 -0.395 0.000 1.015 18 L CA 0.108 54.767 54.840 -0.302 0.000 0.831 18 L CB 0.707 42.514 42.059 -0.420 0.000 1.217 18 L HN 0.264 nan 8.230 nan 0.000 0.420 19 F N 1.341 121.244 119.950 -0.077 0.000 2.509 19 F HA 0.687 5.224 4.527 0.016 0.000 0.334 19 F C 0.975 176.850 175.800 0.126 0.000 1.060 19 F CA -0.391 57.611 58.000 0.004 0.000 0.997 19 F CB 1.638 40.660 39.000 0.038 0.000 1.271 19 F HN 0.522 nan 8.300 nan 0.000 0.488 20 T N -1.055 113.724 114.554 0.375 0.000 2.902 20 T HA 0.292 4.651 4.350 0.016 0.000 0.280 20 T C 0.762 175.612 174.700 0.251 0.000 0.992 20 T CA -0.685 61.630 62.100 0.358 0.000 1.015 20 T CB 0.935 69.953 68.868 0.249 0.000 1.044 20 T HN 0.376 nan 8.240 nan 0.000 0.520 21 L N 1.110 122.435 121.223 0.169 0.000 2.349 21 L HA -0.025 4.325 4.340 0.016 0.000 0.220 21 L C 2.313 179.227 176.870 0.074 0.000 1.130 21 L CA 1.524 56.424 54.840 0.100 0.000 0.791 21 L CB -0.938 41.153 42.059 0.054 0.000 0.918 21 L HN 0.831 nan 8.230 nan 0.000 0.444 22 E N -0.907 119.345 120.200 0.086 0.000 2.394 22 E HA 0.198 4.558 4.350 0.016 0.000 0.191 22 E C 1.075 177.717 176.600 0.071 0.000 1.044 22 E CA 0.507 56.943 56.400 0.060 0.000 0.939 22 E CB -0.422 29.308 29.700 0.051 0.000 1.089 22 E HN 0.268 nan 8.360 nan 0.000 0.456 23 G N 2.144 110.999 108.800 0.091 0.000 2.295 23 G HA2 -0.350 3.619 3.960 0.016 0.000 0.287 23 G HA3 -0.350 3.619 3.960 0.016 0.000 0.287 23 G C -0.062 174.987 174.900 0.248 0.000 1.055 23 G CA 0.633 45.787 45.100 0.089 0.000 0.922 23 G HN 0.416 nan 8.290 nan 0.000 0.503 24 R N 0.691 121.379 120.500 0.314 0.000 2.439 24 R HA 0.545 4.894 4.340 0.016 0.000 0.310 24 R C -2.383 174.036 176.300 0.198 0.000 0.955 24 R CA -2.176 54.066 56.100 0.238 0.000 0.853 24 R CB 2.223 32.600 30.300 0.128 0.000 1.171 24 R HN 0.117 nan 8.270 nan 0.000 0.449 25 P HA -0.017 nan 4.420 nan 0.000 0.268 25 P C -0.107 177.055 177.300 -0.231 0.000 1.205 25 P CA -0.069 62.806 63.100 -0.374 0.000 0.771 25 P CB 1.640 33.115 31.700 -0.376 0.000 0.858 26 V N 1.821 121.547 119.914 -0.313 0.000 3.151 26 V HA 0.369 4.498 4.120 0.016 0.000 0.241 26 V C 0.919 176.874 176.094 -0.232 0.000 1.173 26 V CA 1.414 63.574 62.300 -0.235 0.000 1.154 26 V CB 0.140 31.769 31.823 -0.323 0.000 0.898 26 V HN 0.847 nan 8.190 nan 0.000 0.473 27 A N -0.750 121.899 122.820 -0.286 0.000 2.610 27 A HA 0.768 5.098 4.320 0.016 0.000 0.291 27 A C -1.754 175.695 177.584 -0.224 0.000 1.086 27 A CA -0.353 51.553 52.037 -0.219 0.000 0.677 27 A CB 1.989 20.862 19.000 -0.211 0.000 1.278 27 A HN -0.008 nan 8.150 nan 0.000 0.414 28 V N -0.174 119.649 119.914 -0.151 0.000 2.888 28 V HA 0.827 4.956 4.120 0.016 0.000 0.309 28 V C -0.152 175.907 176.094 -0.058 0.000 1.114 28 V CA 0.008 62.242 62.300 -0.110 0.000 0.940 28 V CB 1.897 33.673 31.823 -0.078 0.000 1.021 28 V HN 1.876 nan 8.190 nan 0.000 0.426 29 A N 3.956 126.760 122.820 -0.026 0.000 2.359 29 A HA 0.878 5.208 4.320 0.016 0.000 0.303 29 A C -0.858 176.825 177.584 0.166 0.000 1.066 29 A CA -0.669 51.395 52.037 0.045 0.000 0.730 29 A CB 1.546 20.477 19.000 -0.115 0.000 1.211 29 A HN 0.787 nan 8.150 nan 0.000 0.439 30 K N 2.343 122.896 120.400 0.256 0.000 2.507 30 K HA 0.648 4.977 4.320 0.016 0.000 0.251 30 K C -1.051 175.659 176.600 0.183 0.000 0.943 30 K CA -0.543 55.870 56.287 0.209 0.000 0.794 30 K CB 1.685 34.257 32.500 0.119 0.000 1.188 30 K HN 0.833 nan 8.250 nan 0.000 0.428 31 R N 3.035 123.615 120.500 0.133 0.000 2.673 31 R HA 0.274 4.624 4.340 0.016 0.000 0.281 31 R C -1.029 175.278 176.300 0.012 0.000 0.991 31 R CA -0.553 55.517 56.100 -0.050 0.000 0.896 31 R CB 1.680 31.794 30.300 -0.310 0.000 1.201 31 R HN 0.711 nan 8.270 nan 0.000 0.457 32 E N 2.943 123.105 120.200 -0.063 0.000 2.280 32 E HA 0.324 4.683 4.350 0.016 0.000 0.264 32 E C -0.845 175.744 176.600 -0.019 0.000 1.064 32 E CA -0.572 55.762 56.400 -0.109 0.000 0.900 32 E CB 1.004 30.602 29.700 -0.170 0.000 1.123 32 E HN 0.384 nan 8.360 nan 0.000 0.418 33 F N -1.880 118.011 119.950 -0.099 0.000 2.603 33 F HA 0.514 5.051 4.527 0.016 0.000 0.317 33 F C -0.200 175.530 175.800 -0.116 0.000 1.066 33 F CA -1.566 56.363 58.000 -0.118 0.000 0.941 33 F CB 0.785 39.700 39.000 -0.142 0.000 1.291 33 F HN 0.159 nan 8.300 nan 0.000 0.472 34 R N 1.614 122.164 120.500 0.084 0.000 2.489 34 R HA 0.148 4.498 4.340 0.016 0.000 0.287 34 R C -0.753 175.548 176.300 0.001 0.000 1.053 34 R CA -0.246 55.855 56.100 0.001 0.000 1.036 34 R CB 0.479 30.790 30.300 0.018 0.000 0.966 34 R HN 0.626 nan 8.270 nan 0.000 0.432 35 Q N 4.879 124.612 119.800 -0.113 0.000 2.296 35 Q HA 0.240 4.590 4.340 0.016 0.000 0.257 35 Q C -0.602 175.120 176.000 -0.464 0.000 0.942 35 Q CA -0.288 55.387 55.803 -0.213 0.000 0.939 35 Q CB 1.526 30.098 28.738 -0.277 0.000 1.198 35 Q HN 0.545 nan 8.270 nan 0.000 0.429 36 L N 3.428 124.432 121.223 -0.364 0.000 2.282 36 L HA 0.357 4.707 4.340 0.016 0.000 0.288 36 L C -0.725 175.899 176.870 -0.410 0.000 1.033 36 L CA -0.750 53.900 54.840 -0.317 0.000 0.807 36 L CB 0.526 42.543 42.059 -0.070 0.000 1.209 36 L HN 0.507 nan 8.230 nan 0.000 0.423 37 Y N 3.022 123.361 120.300 0.065 0.000 2.837 37 Y HA 0.304 4.864 4.550 0.017 0.000 0.356 37 Y C -1.621 174.310 175.900 0.051 0.000 1.035 37 Y CA -2.219 55.917 58.100 0.061 0.000 1.165 37 Y CB 0.163 38.642 38.460 0.032 0.000 1.147 37 Y HN 0.472 nan 8.280 nan 0.000 0.628 38 P HA -0.131 nan 4.420 nan 0.000 0.215 38 P C -0.157 177.112 177.300 -0.052 0.000 1.157 38 P CA 1.645 64.809 63.100 0.107 0.000 0.874 38 P CB 0.472 32.309 31.700 0.229 0.000 0.790 39 K N -2.331 117.975 120.400 -0.156 0.000 2.466 39 K HA 0.448 4.777 4.320 0.016 0.000 0.260 39 K C -2.857 173.621 176.600 -0.203 0.000 1.011 39 K CA -2.452 53.593 56.287 -0.405 0.000 0.871 39 K CB 1.272 33.110 32.500 -1.104 0.000 1.404 39 K HN -0.304 nan 8.250 nan 0.000 0.450 40 P HA 0.033 nan 4.420 nan 0.000 0.267 40 P C 0.314 177.628 177.300 0.024 0.000 1.209 40 P CA 0.920 63.981 63.100 -0.066 0.000 0.763 40 P CB 0.481 32.142 31.700 -0.064 0.000 0.816 41 G N 1.169 110.019 108.800 0.083 0.000 2.175 41 G HA2 -0.195 3.774 3.960 0.016 0.000 0.244 41 G HA3 -0.195 3.774 3.960 0.016 0.000 0.244 41 G C -0.538 174.539 174.900 0.295 0.000 0.982 41 G CA -0.692 44.499 45.100 0.151 0.000 0.641 41 G HN 0.329 nan 8.290 nan 0.000 0.527 42 W N 0.128 121.405 121.300 -0.037 0.000 2.417 42 W HA 0.691 5.358 4.660 0.012 0.000 0.317 42 W C -0.021 176.517 176.519 0.030 0.000 1.121 42 W CA -1.042 56.269 57.345 -0.056 0.000 1.208 42 W CB 1.693 31.114 29.460 -0.065 0.000 1.253 42 W HN 0.184 nan 8.180 nan 0.000 0.533 43 V N 3.804 123.768 119.914 0.084 0.000 2.524 43 V HA 0.385 4.514 4.120 0.016 0.000 0.297 43 V C -0.350 175.657 176.094 -0.145 0.000 1.035 43 V CA -1.124 61.181 62.300 0.008 0.000 0.867 43 V CB 1.464 33.236 31.823 -0.086 0.000 1.004 43 V HN 0.481 nan 8.190 nan 0.000 0.426 44 E N 2.554 122.680 120.200 -0.123 0.000 2.369 44 E HA 0.611 4.970 4.350 0.016 0.000 0.270 44 E C -1.349 175.276 176.600 0.040 0.000 0.909 44 E CA -0.948 55.394 56.400 -0.098 0.000 0.775 44 E CB 2.986 32.685 29.700 -0.002 0.000 1.270 44 E HN 0.749 nan 8.360 nan 0.000 0.445 45 H N 0.131 119.205 119.070 0.007 0.000 2.569 45 H HA 0.151 4.716 4.556 0.015 0.000 0.357 45 H C -0.980 174.351 175.328 0.004 0.000 1.153 45 H CA -0.964 55.108 56.048 0.040 0.000 1.193 45 H CB 1.875 31.667 29.762 0.050 0.000 1.602 45 H HN 0.354 nan 8.280 nan 0.000 0.523 46 D N 3.463 123.940 120.400 0.129 0.000 2.325 46 D HA 0.046 4.695 4.640 0.016 0.000 0.251 46 D C -1.807 174.516 176.300 0.039 0.000 1.196 46 D CA -2.003 52.034 54.000 0.061 0.000 0.866 46 D CB 1.592 42.424 40.800 0.053 0.000 1.101 46 D HN 0.302 nan 8.370 nan 0.000 0.476 47 P HA -0.148 nan 4.420 nan 0.000 0.215 47 P C 1.672 179.167 177.300 0.325 0.000 1.157 47 P CA 0.628 63.764 63.100 0.059 0.000 0.874 47 P CB 0.320 31.873 31.700 -0.245 0.000 0.790 48 L N -0.323 121.061 121.223 0.268 0.000 2.013 48 L HA -0.220 4.129 4.340 0.016 0.000 0.212 48 L C 2.477 179.456 176.870 0.182 0.000 1.073 48 L CA 1.890 56.905 54.840 0.292 0.000 0.753 48 L CB -1.206 40.970 42.059 0.195 0.000 0.890 48 L HN 0.006 nan 8.230 nan 0.000 0.432 49 E N -0.345 119.902 120.200 0.078 0.000 2.085 49 E HA -0.247 4.113 4.350 0.016 0.000 0.194 49 E C 2.338 178.881 176.600 -0.094 0.000 0.994 49 E CA 1.297 57.697 56.400 -0.001 0.000 0.801 49 E CB -0.107 29.597 29.700 0.007 0.000 0.743 49 E HN 0.473 nan 8.360 nan 0.000 0.453 50 I N 0.439 120.911 120.570 -0.163 0.000 2.179 50 I HA -0.269 3.911 4.170 0.016 0.000 0.242 50 I C 2.352 178.479 176.117 0.017 0.000 1.088 50 I CA 1.199 62.320 61.300 -0.298 0.000 1.357 50 I CB -0.419 37.458 38.000 -0.206 0.000 1.051 50 I HN 0.460 nan 8.210 nan 0.000 0.409 51 W N 2.208 123.496 121.300 -0.019 0.000 2.353 51 W HA -0.222 4.447 4.660 0.015 0.000 0.319 51 W C 2.205 178.691 176.519 -0.055 0.000 1.207 51 W CA 1.343 58.634 57.345 -0.090 0.000 1.291 51 W CB -0.193 29.169 29.460 -0.164 0.000 1.159 51 W HN 0.099 nan 8.180 nan 0.000 0.478 52 E N -0.309 119.694 120.200 -0.328 0.000 2.160 52 E HA -0.260 4.100 4.350 0.016 0.000 0.195 52 E C 2.159 178.614 176.600 -0.241 0.000 0.991 52 E CA 2.437 58.583 56.400 -0.425 0.000 0.810 52 E CB -0.294 29.303 29.700 -0.171 0.000 0.742 52 E HN 0.387 nan 8.360 nan 0.000 0.466 53 T N -2.214 112.267 114.554 -0.122 0.000 2.942 53 T HA -0.045 4.314 4.350 0.016 0.000 0.265 53 T C 2.046 176.782 174.700 0.059 0.000 1.062 53 T CA 1.238 63.344 62.100 0.010 0.000 1.139 53 T CB -0.312 68.579 68.868 0.038 0.000 0.883 53 T HN -0.052 nan 8.240 nan 0.000 0.468 54 T N 2.625 117.144 114.554 -0.058 0.000 2.674 54 T HA 0.017 4.377 4.350 0.016 0.000 0.265 54 T C 1.785 176.390 174.700 -0.159 0.000 1.039 54 T CA 1.297 63.375 62.100 -0.036 0.000 1.150 54 T CB -0.635 68.249 68.868 0.026 0.000 0.864 54 T HN 0.227 nan 8.240 nan 0.000 0.427 55 L N 0.057 120.986 121.223 -0.490 0.000 2.043 55 L HA -0.082 4.267 4.340 0.016 0.000 0.212 55 L C 2.103 178.824 176.870 -0.248 0.000 1.075 55 L CA 1.741 56.245 54.840 -0.560 0.000 0.752 55 L CB -0.746 40.707 42.059 -1.010 0.000 0.891 55 L HN 0.483 nan 8.230 nan 0.000 0.432 56 W N 0.037 121.162 121.300 -0.291 0.000 2.379 56 W HA -0.160 4.510 4.660 0.016 0.000 0.307 56 W C 2.403 178.849 176.519 -0.123 0.000 1.200 56 W CA 2.459 59.698 57.345 -0.178 0.000 1.297 56 W CB -0.469 28.907 29.460 -0.141 0.000 1.140 56 W HN 0.232 nan 8.180 nan 0.000 0.507 57 A N 0.785 123.677 122.820 0.119 0.000 1.908 57 A HA -0.116 4.214 4.320 0.016 0.000 0.218 57 A C 2.081 179.519 177.584 -0.244 0.000 1.181 57 A CA 2.612 54.609 52.037 -0.067 0.000 0.627 57 A CB -1.586 17.512 19.000 0.164 0.000 0.818 57 A HN 0.457 nan 8.150 nan 0.000 0.445 58 A N -0.332 122.385 122.820 -0.171 0.000 1.940 58 A HA -0.191 4.138 4.320 0.016 0.000 0.219 58 A C 2.261 179.713 177.584 -0.220 0.000 1.176 58 A CA 1.685 53.629 52.037 -0.155 0.000 0.631 58 A CB -0.424 18.512 19.000 -0.106 0.000 0.814 58 A HN 0.573 nan 8.150 nan 0.000 0.446 59 R N -0.903 119.411 120.500 -0.310 0.000 2.093 59 R HA -0.023 4.327 4.340 0.016 0.000 0.224 59 R C 1.959 178.022 176.300 -0.395 0.000 1.101 59 R CA 1.009 56.918 56.100 -0.318 0.000 0.979 59 R CB -0.147 29.958 30.300 -0.326 0.000 0.877 59 R HN 0.427 nan 8.270 nan 0.000 0.441 60 E N 0.473 120.303 120.200 -0.616 0.000 2.150 60 E HA -0.122 4.238 4.350 0.016 0.000 0.193 60 E C 2.135 178.522 176.600 -0.355 0.000 0.985 60 E CA 1.377 57.417 56.400 -0.600 0.000 0.814 60 E CB -0.010 29.073 29.700 -1.028 0.000 0.752 60 E HN 0.257 nan 8.360 nan 0.000 0.466 61 V N -0.610 119.126 119.914 -0.297 0.000 2.453 61 V HA -0.164 3.966 4.120 0.016 0.000 0.247 61 V C 2.522 178.488 176.094 -0.214 0.000 1.048 61 V CA 1.054 63.218 62.300 -0.228 0.000 1.049 61 V CB -0.944 30.756 31.823 -0.205 0.000 0.672 61 V HN 0.091 nan 8.190 nan 0.000 0.457 62 L N -0.165 120.939 121.223 -0.199 0.000 2.079 62 L HA -0.157 4.192 4.340 0.016 0.000 0.210 62 L C 2.991 179.780 176.870 -0.136 0.000 1.081 62 L CA 2.200 56.948 54.840 -0.154 0.000 0.752 62 L CB -0.572 41.415 42.059 -0.121 0.000 0.896 62 L HN 0.338 nan 8.230 nan 0.000 0.433 63 R N 0.478 120.882 120.500 -0.160 0.000 2.057 63 R HA -0.116 4.233 4.340 0.016 0.000 0.229 63 R C 2.457 178.690 176.300 -0.112 0.000 1.136 63 R CA 1.173 57.196 56.100 -0.130 0.000 0.952 63 R CB -0.057 30.151 30.300 -0.154 0.000 0.848 63 R HN 0.239 nan 8.270 nan 0.000 0.430 64 R N -0.239 120.181 120.500 -0.133 0.000 2.159 64 R HA -0.079 4.271 4.340 0.016 0.000 0.237 64 R C 1.947 178.184 176.300 -0.105 0.000 1.131 64 R CA 1.296 57.330 56.100 -0.109 0.000 0.982 64 R CB -0.130 30.099 30.300 -0.118 0.000 0.868 64 R HN 0.251 nan 8.270 nan 0.000 0.453 65 A N -0.047 122.693 122.820 -0.133 0.000 2.238 65 A HA 0.235 4.565 4.320 0.016 0.000 0.210 65 A C 1.395 178.942 177.584 -0.061 0.000 1.179 65 A CA 0.594 52.551 52.037 -0.134 0.000 0.827 65 A CB 0.087 18.930 19.000 -0.261 0.000 0.856 65 A HN 0.393 nan 8.150 nan 0.000 0.488 66 G N -1.433 107.336 108.800 -0.051 0.000 2.198 66 G HA2 0.091 4.061 3.960 0.016 0.000 0.260 66 G HA3 0.091 4.061 3.960 0.016 0.000 0.260 66 G C 0.334 175.249 174.900 0.025 0.000 1.025 66 G CA 0.599 45.691 45.100 -0.013 0.000 0.769 66 G HN 1.527 nan 8.290 nan 0.000 0.507 67 A N -0.602 122.229 122.820 0.018 0.000 2.288 67 A HA 0.929 5.258 4.320 0.016 0.000 0.328 67 A C 0.183 177.798 177.584 0.052 0.000 1.123 67 A CA 0.084 52.180 52.037 0.098 0.000 0.861 67 A CB 0.981 20.078 19.000 0.161 0.000 1.272 67 A HN 1.062 nan 8.150 nan 0.000 0.490 68 E N -0.237 120.012 120.200 0.083 0.000 2.312 68 E HA 0.634 4.993 4.350 0.016 0.000 0.267 68 E C 0.516 177.152 176.600 0.059 0.000 0.894 68 E CA -0.468 55.958 56.400 0.043 0.000 0.773 68 E CB 1.826 31.543 29.700 0.028 0.000 1.241 68 E HN 0.632 nan 8.360 nan 0.000 0.432 69 A N 2.715 125.554 122.820 0.031 0.000 1.896 69 A HA -0.265 4.065 4.320 0.016 0.000 0.220 69 A C 2.089 179.701 177.584 0.047 0.000 1.206 69 A CA 2.572 54.630 52.037 0.035 0.000 0.647 69 A CB -1.784 17.226 19.000 0.016 0.000 0.828 69 A HN 0.863 nan 8.150 nan 0.000 0.455 70 G N -0.890 107.930 108.800 0.033 0.000 2.517 70 G HA2 -0.260 3.710 3.960 0.016 0.000 0.222 70 G HA3 -0.260 3.710 3.960 0.016 0.000 0.222 70 G C 1.340 176.257 174.900 0.028 0.000 1.109 70 G CA 1.120 46.235 45.100 0.024 0.000 0.746 70 G HN 0.727 nan 8.290 nan 0.000 0.576 71 E N -0.551 119.680 120.200 0.051 0.000 2.347 71 E HA 0.046 4.406 4.350 0.016 0.000 0.196 71 E C 0.332 176.987 176.600 0.092 0.000 1.008 71 E CA -0.228 56.196 56.400 0.039 0.000 0.852 71 E CB 0.245 30.000 29.700 0.092 0.000 0.783 71 E HN 0.238 nan 8.360 nan 0.000 0.505 72 V N 2.473 122.471 119.914 0.139 0.000 2.427 72 V HA -0.021 4.108 4.120 0.016 0.000 0.268 72 V C 1.260 177.410 176.094 0.093 0.000 1.046 72 V CA 0.182 62.578 62.300 0.161 0.000 0.970 72 V CB 1.169 33.069 31.823 0.128 0.000 1.001 72 V HN 0.252 nan 8.190 nan 0.000 0.476 73 L N 4.327 125.604 121.223 0.091 0.000 2.005 73 L HA 0.183 4.532 4.340 0.016 0.000 0.207 73 L C 0.986 177.889 176.870 0.056 0.000 1.072 73 L CA 1.775 56.648 54.840 0.056 0.000 0.744 73 L CB 0.176 42.265 42.059 0.049 0.000 0.895 73 L HN 0.793 nan 8.230 nan 0.000 0.433 74 A N -1.113 121.749 122.820 0.069 0.000 2.606 74 A HA 0.519 4.849 4.320 0.016 0.000 0.293 74 A C -1.600 176.021 177.584 0.062 0.000 1.082 74 A CA -0.509 51.562 52.037 0.058 0.000 0.685 74 A CB 1.362 20.390 19.000 0.048 0.000 1.284 74 A HN 0.117 nan 8.150 nan 0.000 0.408 75 L N 1.321 122.573 121.223 0.049 0.000 2.329 75 L HA 0.825 5.175 4.340 0.016 0.000 0.279 75 L C 0.079 176.959 176.870 0.017 0.000 1.014 75 L CA -0.509 54.356 54.840 0.043 0.000 0.814 75 L CB 1.737 43.820 42.059 0.039 0.000 1.257 75 L HN 0.925 nan 8.230 nan 0.000 0.424 76 G N 5.890 114.698 108.800 0.013 0.000 2.544 76 G HA2 0.527 4.497 3.960 0.016 0.000 0.313 76 G HA3 0.527 4.497 3.960 0.016 0.000 0.313 76 G C -0.805 174.079 174.900 -0.027 0.000 1.316 76 G CA -0.512 44.573 45.100 -0.026 0.000 0.944 76 G HN 0.377 nan 8.290 nan 0.000 0.489 77 I N 1.129 121.651 120.570 -0.080 0.000 2.428 77 I HA 0.596 4.775 4.170 0.016 0.000 0.296 77 I C 0.288 176.373 176.117 -0.054 0.000 0.985 77 I CA -0.369 60.895 61.300 -0.060 0.000 1.260 77 I CB 1.640 39.575 38.000 -0.107 0.000 1.389 77 I HN 0.390 nan 8.210 nan 0.000 0.484 78 T N 6.353 120.905 114.554 -0.003 0.000 3.041 78 T HA 0.510 4.869 4.350 0.016 0.000 0.321 78 T C -1.088 173.638 174.700 0.043 0.000 1.184 78 T CA -0.714 61.392 62.100 0.009 0.000 1.050 78 T CB 1.227 70.111 68.868 0.027 0.000 1.159 78 T HN 0.900 nan 8.240 nan 0.000 0.469 79 N N 2.434 121.157 118.700 0.039 0.000 2.732 79 N HA 0.293 5.042 4.740 0.016 0.000 0.259 79 N C -1.132 174.416 175.510 0.064 0.000 1.402 79 N CA -0.948 52.148 53.050 0.077 0.000 0.829 79 N CB 1.409 39.946 38.487 0.084 0.000 1.495 79 N HN 0.759 nan 8.380 nan 0.000 0.511 80 Q N -0.072 119.808 119.800 0.134 0.000 2.330 80 Q HA 0.194 4.544 4.340 0.016 0.000 0.279 80 Q C 0.319 176.360 176.000 0.069 0.000 1.024 80 Q CA 0.028 55.909 55.803 0.131 0.000 0.900 80 Q CB 1.414 30.370 28.738 0.363 0.000 1.221 80 Q HN 0.542 nan 8.270 nan 0.000 0.396 81 R N 0.682 121.129 120.500 -0.088 0.000 2.210 81 R HA -0.042 4.308 4.340 0.016 0.000 0.203 81 R C 0.677 176.974 176.300 -0.005 0.000 1.010 81 R CA 0.902 56.955 56.100 -0.079 0.000 1.008 81 R CB 0.537 30.731 30.300 -0.178 0.000 0.923 81 R HN 0.776 nan 8.270 nan 0.000 0.469 82 E N -0.944 119.290 120.200 0.056 0.000 2.572 82 E HA 0.081 4.440 4.350 0.016 0.000 0.220 82 E C -0.104 176.587 176.600 0.152 0.000 0.945 82 E CA 0.006 56.456 56.400 0.082 0.000 1.070 82 E CB 0.269 29.933 29.700 -0.060 0.000 1.090 82 E HN -0.109 nan 8.360 nan 0.000 0.506 83 T N 2.911 117.582 114.554 0.195 0.000 2.849 83 T HA 0.052 4.412 4.350 0.016 0.000 0.289 83 T C 0.088 174.856 174.700 0.114 0.000 1.010 83 T CA 0.886 63.067 62.100 0.136 0.000 1.161 83 T CB 0.339 69.300 68.868 0.155 0.000 0.989 83 T HN 0.006 nan 8.240 nan 0.000 0.523 84 T N 4.830 119.440 114.554 0.093 0.000 2.867 84 T HA 0.621 4.980 4.350 0.016 0.000 0.282 84 T C -0.380 174.357 174.700 0.062 0.000 1.000 84 T CA -0.678 61.510 62.100 0.146 0.000 1.042 84 T CB 0.596 69.575 68.868 0.186 0.000 0.973 84 T HN 0.255 nan 8.240 nan 0.000 0.465 85 L N 2.803 124.057 121.223 0.053 0.000 2.409 85 L HA 0.681 5.030 4.340 0.016 0.000 0.262 85 L C -0.937 175.951 176.870 0.029 0.000 0.992 85 L CA -0.608 54.218 54.840 -0.023 0.000 0.817 85 L CB 1.642 43.590 42.059 -0.185 0.000 1.350 85 L HN 0.479 nan 8.230 nan 0.000 0.411 86 L N 1.627 122.851 121.223 0.002 0.000 2.408 86 L HA 0.747 5.097 4.340 0.016 0.000 0.268 86 L C -1.516 175.354 176.870 -0.000 0.000 0.986 86 L CA -0.370 54.428 54.840 -0.070 0.000 0.820 86 L CB 2.098 44.132 42.059 -0.042 0.000 1.303 86 L HN 0.840 nan 8.230 nan 0.000 0.411 87 W N 1.133 122.267 121.300 -0.276 0.000 3.118 87 W HA 0.522 5.188 4.660 0.010 0.000 0.328 87 W C -1.259 175.122 176.519 -0.230 0.000 1.239 87 W CA -1.036 56.140 57.345 -0.282 0.000 1.176 87 W CB 0.751 29.974 29.460 -0.394 0.000 1.433 87 W HN 0.402 nan 8.180 nan 0.000 0.562 88 D N 1.477 121.960 120.400 0.139 0.000 2.371 88 D HA 0.179 4.828 4.640 0.016 0.000 0.256 88 D C 1.285 177.683 176.300 0.162 0.000 1.193 88 D CA 0.116 54.166 54.000 0.083 0.000 0.881 88 D CB 1.125 41.994 40.800 0.114 0.000 1.143 88 D HN 0.487 nan 8.370 nan 0.000 0.473 89 R N 2.779 123.315 120.500 0.061 0.000 2.120 89 R HA -0.128 4.222 4.340 0.016 0.000 0.234 89 R C 1.535 178.069 176.300 0.390 0.000 1.123 89 R CA 1.032 57.271 56.100 0.232 0.000 0.975 89 R CB 0.065 30.459 30.300 0.158 0.000 0.866 89 R HN 0.327 nan 8.270 nan 0.000 0.446 90 K N -0.495 120.045 120.400 0.233 0.000 2.076 90 K HA -0.041 4.288 4.320 0.016 0.000 0.204 90 K C 1.900 178.624 176.600 0.206 0.000 1.051 90 K CA 1.666 58.069 56.287 0.194 0.000 0.949 90 K CB 0.241 32.815 32.500 0.122 0.000 0.726 90 K HN 0.257 nan 8.250 nan 0.000 0.443 91 T N -4.536 110.143 114.554 0.208 0.000 3.001 91 T HA 0.222 4.581 4.350 0.016 0.000 0.251 91 T C 1.347 176.190 174.700 0.238 0.000 1.040 91 T CA 0.304 62.516 62.100 0.186 0.000 0.985 91 T CB 0.602 69.552 68.868 0.136 0.000 1.011 91 T HN 0.228 nan 8.240 nan 0.000 0.509 92 G N 1.699 110.702 108.800 0.337 0.000 2.166 92 G HA2 -0.301 3.668 3.960 0.016 0.000 0.260 92 G HA3 -0.301 3.668 3.960 0.016 0.000 0.260 92 G C -0.034 175.008 174.900 0.237 0.000 0.986 92 G CA 0.471 45.774 45.100 0.339 0.000 0.683 92 G HN 0.738 nan 8.290 nan 0.000 0.527 93 K N 1.573 122.101 120.400 0.213 0.000 2.258 93 K HA 0.371 4.701 4.320 0.016 0.000 0.284 93 K C -1.841 174.846 176.600 0.144 0.000 1.051 93 K CA -1.889 54.500 56.287 0.171 0.000 0.923 93 K CB 1.288 33.866 32.500 0.130 0.000 1.046 93 K HN 0.106 nan 8.250 nan 0.000 0.474 94 P HA -0.028 nan 4.420 nan 0.000 0.269 94 P C -0.343 176.980 177.300 0.038 0.000 1.209 94 P CA -0.129 62.958 63.100 -0.022 0.000 0.776 94 P CB 0.516 32.125 31.700 -0.152 0.000 0.876 95 L N -0.199 121.056 121.223 0.052 0.000 3.062 95 L HA 0.615 4.964 4.340 0.016 0.000 0.255 95 L C 0.112 177.073 176.870 0.151 0.000 1.274 95 L CA -0.024 54.862 54.840 0.077 0.000 1.047 95 L CB -0.781 41.314 42.059 0.060 0.000 1.402 95 L HN 0.489 nan 8.230 nan 0.000 0.550 96 H N -0.592 118.480 119.070 0.003 0.000 2.868 96 H HA 0.184 4.748 4.556 0.014 0.000 0.258 96 H C -1.150 174.171 175.328 -0.013 0.000 1.271 96 H CA -0.603 55.457 56.048 0.021 0.000 1.607 96 H CB 0.892 30.684 29.762 0.049 0.000 1.874 96 H HN 0.145 nan 8.280 nan 0.000 0.487 97 N N 0.806 119.555 118.700 0.080 0.000 2.344 97 N HA 0.215 4.964 4.740 0.016 0.000 0.236 97 N C 0.055 175.663 175.510 0.164 0.000 1.279 97 N CA 0.658 53.766 53.050 0.096 0.000 0.882 97 N CB 0.566 39.071 38.487 0.030 0.000 1.110 97 N HN 0.562 nan 8.380 nan 0.000 0.436 98 A N 1.885 124.730 122.820 0.042 0.000 2.454 98 A HA 0.254 4.584 4.320 0.016 0.000 0.260 98 A C 0.558 178.119 177.584 -0.038 0.000 1.106 98 A CA -0.295 51.739 52.037 -0.004 0.000 0.780 98 A CB -0.287 18.700 19.000 -0.021 0.000 1.044 98 A HN 0.632 nan 8.150 nan 0.000 0.498 99 I N 4.236 124.762 120.570 -0.074 0.000 2.308 99 I HA 0.089 4.269 4.170 0.016 0.000 0.293 99 I C 0.095 176.120 176.117 -0.152 0.000 1.078 99 I CA -0.321 60.883 61.300 -0.161 0.000 1.292 99 I CB 0.664 38.522 38.000 -0.237 0.000 1.423 99 I HN 0.373 nan 8.210 nan 0.000 0.493 100 V N 6.818 126.580 119.914 -0.252 0.000 3.139 100 V HA -0.111 4.019 4.120 0.016 0.000 0.307 100 V C 1.365 177.366 176.094 -0.153 0.000 1.095 100 V CA -0.156 61.977 62.300 -0.279 0.000 1.160 100 V CB 0.515 31.983 31.823 -0.591 0.000 1.003 100 V HN 0.936 nan 8.190 nan 0.000 0.489 101 W N 1.157 122.436 121.300 -0.034 0.000 2.468 101 W HA -0.120 4.549 4.660 0.016 0.000 0.262 101 W C 1.269 177.812 176.519 0.041 0.000 1.241 101 W CA 0.842 58.208 57.345 0.034 0.000 1.232 101 W CB -0.579 28.964 29.460 0.137 0.000 1.124 101 W HN 0.684 nan 8.180 nan 0.000 0.597 102 Q N 0.766 120.113 119.800 -0.754 0.000 2.245 102 Q HA -0.070 4.279 4.340 0.016 0.000 0.201 102 Q C 1.070 176.830 176.000 -0.399 0.000 0.955 102 Q CA 0.610 55.935 55.803 -0.797 0.000 0.870 102 Q CB -0.259 27.917 28.738 -0.936 0.000 0.945 102 Q HN 0.178 nan 8.270 nan 0.000 0.461 103 D N 0.778 120.992 120.400 -0.310 0.000 2.406 103 D HA -0.095 4.555 4.640 0.016 0.000 0.234 103 D C 0.529 176.681 176.300 -0.246 0.000 1.196 103 D CA 0.693 54.534 54.000 -0.264 0.000 0.881 103 D CB 0.657 41.253 40.800 -0.340 0.000 1.205 103 D HN 0.104 nan 8.370 nan 0.000 0.453 104 R N 1.571 121.929 120.500 -0.235 0.000 2.538 104 R HA 0.029 4.379 4.340 0.016 0.000 0.372 104 R C 1.784 177.981 176.300 -0.171 0.000 0.950 104 R CA -0.296 55.705 56.100 -0.166 0.000 1.168 104 R CB 0.313 30.563 30.300 -0.083 0.000 1.542 104 R HN 0.487 nan 8.270 nan 0.000 0.536 105 R N 1.450 121.695 120.500 -0.425 0.000 2.154 105 R HA -0.114 4.235 4.340 0.016 0.000 0.248 105 R C 1.104 177.305 176.300 -0.165 0.000 1.155 105 R CA 2.216 58.090 56.100 -0.378 0.000 0.979 105 R CB -1.142 28.347 30.300 -1.353 0.000 0.869 105 R HN 0.024 nan 8.270 nan 0.000 0.452 106 T N -2.040 112.393 114.554 -0.201 0.000 3.308 106 T HA 0.051 4.411 4.350 0.016 0.000 0.255 106 T C 1.220 175.931 174.700 0.018 0.000 1.162 106 T CA 0.882 62.964 62.100 -0.030 0.000 1.031 106 T CB -0.166 68.680 68.868 -0.037 0.000 0.973 106 T HN 0.225 nan 8.240 nan 0.000 0.544 107 T N 2.776 117.341 114.554 0.018 0.000 2.788 107 T HA -0.012 4.347 4.350 0.016 0.000 0.268 107 T C -0.636 174.100 174.700 0.061 0.000 1.044 107 T CA 1.120 63.236 62.100 0.027 0.000 1.139 107 T CB -1.126 67.728 68.868 -0.023 0.000 0.867 107 T HN 0.428 nan 8.240 nan 0.000 0.454 108 P HA 0.038 nan 4.420 nan 0.000 0.217 108 P C 1.473 178.797 177.300 0.041 0.000 1.150 108 P CA 0.796 63.947 63.100 0.085 0.000 0.832 108 P CB -0.163 31.600 31.700 0.105 0.000 0.787 109 L N -1.537 119.702 121.223 0.026 0.000 2.093 109 L HA -0.191 4.159 4.340 0.016 0.000 0.208 109 L C 2.462 179.258 176.870 -0.122 0.000 1.085 109 L CA 1.339 56.153 54.840 -0.042 0.000 0.755 109 L CB -1.150 40.890 42.059 -0.032 0.000 0.904 109 L HN 0.076 nan 8.230 nan 0.000 0.435 110 C N 0.114 119.365 119.300 -0.080 0.000 2.432 110 C HA -0.143 4.326 4.460 0.016 0.000 0.277 110 C C 2.631 177.579 174.990 -0.070 0.000 1.249 110 C CA 0.743 59.696 59.018 -0.109 0.000 1.725 110 C CB -0.785 26.989 27.740 0.056 0.000 2.028 110 C HN 0.524 nan 8.230 nan 0.000 0.477 111 E N 1.037 121.248 120.200 0.018 0.000 2.150 111 E HA -0.107 4.252 4.350 0.016 0.000 0.193 111 E C 2.308 178.911 176.600 0.004 0.000 0.985 111 E CA 1.184 57.618 56.400 0.057 0.000 0.814 111 E CB -0.232 29.535 29.700 0.111 0.000 0.752 111 E HN 0.695 nan 8.360 nan 0.000 0.466 112 A N 1.242 124.038 122.820 -0.040 0.000 1.897 112 A HA -0.089 4.240 4.320 0.016 0.000 0.215 112 A C 2.157 179.675 177.584 -0.110 0.000 1.181 112 A CA 0.807 52.810 52.037 -0.057 0.000 0.620 112 A CB -0.460 18.505 19.000 -0.059 0.000 0.821 112 A HN 0.125 nan 8.150 nan 0.000 0.443 113 L N -1.242 119.833 121.223 -0.247 0.000 2.217 113 L HA -0.063 4.286 4.340 0.016 0.000 0.211 113 L C 2.678 179.430 176.870 -0.197 0.000 1.107 113 L CA 1.211 55.822 54.840 -0.383 0.000 0.783 113 L CB -0.257 41.222 42.059 -0.966 0.000 0.919 113 L HN 0.429 nan 8.230 nan 0.000 0.442 114 R N 0.094 120.550 120.500 -0.073 0.000 2.148 114 R HA -0.091 4.259 4.340 0.016 0.000 0.223 114 R C 2.260 178.619 176.300 0.099 0.000 1.088 114 R CA 1.107 57.294 56.100 0.146 0.000 0.985 114 R CB -0.079 30.331 30.300 0.183 0.000 0.880 114 R HN 0.305 nan 8.270 nan 0.000 0.451 115 A N 1.086 123.932 122.820 0.044 0.000 1.898 115 A HA -0.116 4.213 4.320 0.016 0.000 0.216 115 A C 1.735 179.344 177.584 0.042 0.000 1.181 115 A CA 1.304 53.365 52.037 0.040 0.000 0.620 115 A CB -0.241 18.772 19.000 0.021 0.000 0.819 115 A HN 0.300 nan 8.150 nan 0.000 0.442 116 K N -0.970 119.450 120.400 0.032 0.000 2.519 116 K HA 0.064 4.394 4.320 0.016 0.000 0.196 116 K C 1.002 177.648 176.600 0.076 0.000 1.041 116 K CA 0.484 56.796 56.287 0.042 0.000 0.954 116 K CB -0.357 32.161 32.500 0.030 0.000 0.774 116 K HN 0.739 nan 8.250 nan 0.000 0.480 117 G N 1.219 110.079 108.800 0.100 0.000 2.160 117 G HA2 -0.258 3.711 3.960 0.016 0.000 0.244 117 G HA3 -0.258 3.711 3.960 0.016 0.000 0.244 117 G C 0.517 175.518 174.900 0.169 0.000 1.022 117 G CA 0.039 45.210 45.100 0.118 0.000 0.741 117 G HN 0.270 nan 8.290 nan 0.000 0.508 118 L N -0.648 120.731 121.223 0.261 0.000 2.375 118 L HA 0.187 4.537 4.340 0.016 0.000 0.215 118 L C 2.457 179.597 176.870 0.449 0.000 1.108 118 L CA 1.041 56.119 54.840 0.396 0.000 0.830 118 L CB -0.179 42.184 42.059 0.507 0.000 0.959 118 L HN 0.440 nan 8.230 nan 0.000 0.457 119 E N 0.874 121.309 120.200 0.392 0.000 2.086 119 E HA -0.245 4.114 4.350 0.016 0.000 0.200 119 E C -0.557 176.017 176.600 -0.043 0.000 1.012 119 E CA 1.794 58.180 56.400 -0.023 0.000 0.812 119 E CB -0.556 29.168 29.700 0.039 0.000 0.743 119 E HN 0.312 nan 8.360 nan 0.000 0.453 120 P HA -0.195 nan 4.420 nan 0.000 0.214 120 P C 1.538 178.844 177.300 0.010 0.000 1.163 120 P CA 1.050 64.156 63.100 0.011 0.000 0.889 120 P CB -0.133 31.584 31.700 0.028 0.000 0.790 121 L N -1.462 119.790 121.223 0.049 0.000 1.990 121 L HA -0.195 4.155 4.340 0.016 0.000 0.213 121 L C 2.215 179.049 176.870 -0.061 0.000 1.072 121 L CA 2.002 56.840 54.840 -0.003 0.000 0.755 121 L CB -1.463 40.603 42.059 0.012 0.000 0.889 121 L HN -0.143 nan 8.230 nan 0.000 0.432 122 F N -0.354 119.526 119.950 -0.117 0.000 2.186 122 F HA -0.111 4.426 4.527 0.016 0.000 0.299 122 F C 2.771 178.436 175.800 -0.225 0.000 1.090 122 F CA 1.647 59.538 58.000 -0.181 0.000 1.307 122 F CB -0.336 38.460 39.000 -0.340 0.000 1.019 122 F HN 0.063 nan 8.300 nan 0.000 0.489 123 R N 0.538 120.999 120.500 -0.064 0.000 2.120 123 R HA -0.172 4.178 4.340 0.016 0.000 0.234 123 R C 1.476 177.733 176.300 -0.072 0.000 1.123 123 R CA 1.694 57.725 56.100 -0.115 0.000 0.975 123 R CB -0.113 30.114 30.300 -0.123 0.000 0.866 123 R HN 0.210 nan 8.270 nan 0.000 0.446 124 E N -0.954 119.222 120.200 -0.040 0.000 2.474 124 E HA 0.038 4.398 4.350 0.016 0.000 0.194 124 E C 1.622 178.272 176.600 0.084 0.000 1.041 124 E CA 0.225 56.630 56.400 0.008 0.000 0.874 124 E CB 0.439 30.135 29.700 -0.006 0.000 0.914 124 E HN 0.159 nan 8.360 nan 0.000 0.498 125 R N -0.619 119.875 120.500 -0.011 0.000 2.142 125 R HA 0.083 4.433 4.340 0.016 0.000 0.204 125 R C 2.155 178.382 176.300 -0.120 0.000 1.059 125 R CA 1.687 57.775 56.100 -0.020 0.000 1.055 125 R CB -0.193 30.035 30.300 -0.120 0.000 0.976 125 R HN 0.269 nan 8.270 nan 0.000 0.483 126 T N -3.412 111.081 114.554 -0.101 0.000 3.023 126 T HA 0.160 4.520 4.350 0.016 0.000 0.249 126 T C 1.379 176.000 174.700 -0.133 0.000 1.050 126 T CA 0.943 62.988 62.100 -0.092 0.000 1.088 126 T CB 0.574 69.422 68.868 -0.034 0.000 0.946 126 T HN 0.354 nan 8.240 nan 0.000 0.480 127 G N 1.180 109.894 108.800 -0.143 0.000 2.141 127 G HA2 -0.177 3.793 3.960 0.016 0.000 0.242 127 G HA3 -0.177 3.793 3.960 0.016 0.000 0.242 127 G C 0.069 174.865 174.900 -0.172 0.000 0.982 127 G CA 0.490 45.510 45.100 -0.134 0.000 0.662 127 G HN 0.600 nan 8.290 nan 0.000 0.527 128 L N -1.140 119.916 121.223 -0.278 0.000 2.731 128 L HA 0.960 5.309 4.340 0.016 0.000 0.199 128 L C 0.837 177.478 176.870 -0.381 0.000 1.976 128 L CA -0.573 53.986 54.840 -0.469 0.000 2.802 128 L CB 0.427 41.891 42.059 -0.992 0.000 2.882 128 L HN 0.610 nan 8.230 nan 0.000 0.651 129 L N -3.721 117.260 121.223 -0.404 0.000 3.133 129 L HA 0.446 4.795 4.340 0.016 0.000 0.280 129 L C -1.656 175.116 176.870 -0.164 0.000 1.009 129 L CA -0.819 53.811 54.840 -0.349 0.000 0.982 129 L CB 0.940 42.806 42.059 -0.320 0.000 1.530 129 L HN -0.013 nan 8.230 nan 0.000 0.394 130 F N 1.175 121.132 119.950 0.011 0.000 2.438 130 F HA 0.735 5.272 4.527 0.017 0.000 0.356 130 F C 0.342 176.225 175.800 0.138 0.000 1.099 130 F CA -0.043 57.991 58.000 0.056 0.000 1.185 130 F CB 0.700 39.688 39.000 -0.020 0.000 1.115 130 F HN 0.628 nan 8.300 nan 0.000 0.526 131 D N 4.800 125.449 120.400 0.416 0.000 2.687 131 D HA 0.096 4.746 4.640 0.016 0.000 0.213 131 D C -2.545 173.895 176.300 0.233 0.000 1.218 131 D CA -1.170 53.017 54.000 0.311 0.000 0.768 131 D CB 2.448 43.466 40.800 0.363 0.000 1.855 131 D HN 0.085 nan 8.370 nan 0.000 0.508 132 P HA -0.228 nan 4.420 nan 0.000 0.219 132 P C 1.324 178.663 177.300 0.064 0.000 1.151 132 P CA 1.205 64.339 63.100 0.057 0.000 0.850 132 P CB -0.118 31.574 31.700 -0.013 0.000 0.784 133 Y N 0.211 120.447 120.300 -0.107 0.000 2.030 133 Y HA -0.214 4.346 4.550 0.016 0.000 0.272 133 Y C 0.918 176.720 175.900 -0.162 0.000 1.185 133 Y CA 0.834 58.827 58.100 -0.179 0.000 1.120 133 Y CB -1.471 36.867 38.460 -0.204 0.000 0.955 133 Y HN -0.188 nan 8.280 nan 0.000 0.495 134 F N 0.274 120.294 119.950 0.117 0.000 2.496 134 F HA 0.077 4.613 4.527 0.015 0.000 0.344 134 F C 1.906 177.723 175.800 0.027 0.000 1.155 134 F CA 0.189 58.172 58.000 -0.028 0.000 1.302 134 F CB 0.424 39.444 39.000 0.034 0.000 1.159 134 F HN -0.019 nan 8.300 nan 0.000 0.595 135 S N 0.211 116.049 115.700 0.231 0.000 2.515 135 S HA -0.041 4.438 4.470 0.016 0.000 0.231 135 S C 2.010 176.679 174.600 0.115 0.000 0.987 135 S CA 0.398 58.702 58.200 0.173 0.000 0.936 135 S CB -0.857 62.495 63.200 0.254 0.000 0.766 135 S HN 0.890 nan 8.310 nan 0.000 0.528 136 G N 2.731 111.616 108.800 0.141 0.000 2.459 136 G HA2 -0.244 3.726 3.960 0.016 0.000 0.217 136 G HA3 -0.244 3.726 3.960 0.016 0.000 0.217 136 G C 1.683 176.592 174.900 0.016 0.000 1.183 136 G CA 1.640 46.778 45.100 0.064 0.000 0.776 136 G HN 0.696 nan 8.290 nan 0.000 0.552 137 T N -0.782 113.801 114.554 0.048 0.000 2.995 137 T HA 0.057 4.416 4.350 0.016 0.000 0.269 137 T C 2.119 176.837 174.700 0.029 0.000 1.091 137 T CA 1.412 63.519 62.100 0.013 0.000 1.128 137 T CB -0.140 68.740 68.868 0.019 0.000 0.891 137 T HN 0.364 nan 8.240 nan 0.000 0.492 138 K N 0.733 121.142 120.400 0.015 0.000 2.097 138 K HA 0.176 4.506 4.320 0.016 0.000 0.205 138 K C 2.250 178.863 176.600 0.021 0.000 1.050 138 K CA 0.850 57.133 56.287 -0.008 0.000 0.938 138 K CB -0.345 32.134 32.500 -0.036 0.000 0.718 138 K HN 0.291 nan 8.250 nan 0.000 0.442 139 L N 0.686 121.890 121.223 -0.031 0.000 1.994 139 L HA -0.211 4.139 4.340 0.016 0.000 0.208 139 L C 2.329 179.160 176.870 -0.066 0.000 1.071 139 L CA 1.115 55.897 54.840 -0.097 0.000 0.745 139 L CB -0.457 41.453 42.059 -0.249 0.000 0.892 139 L HN 0.001 nan 8.230 nan 0.000 0.431 140 V N -0.969 118.910 119.914 -0.058 0.000 2.278 140 V HA -0.369 3.760 4.120 0.016 0.000 0.251 140 V C 2.057 178.125 176.094 -0.043 0.000 1.062 140 V CA 2.456 64.719 62.300 -0.062 0.000 1.038 140 V CB -0.805 30.983 31.823 -0.059 0.000 0.646 140 V HN 0.636 nan 8.190 nan 0.000 0.447 141 W N 0.314 121.529 121.300 -0.142 0.000 2.318 141 W HA -0.227 4.442 4.660 0.014 0.000 0.313 141 W C 2.274 178.701 176.519 -0.153 0.000 1.221 141 W CA 2.043 59.300 57.345 -0.147 0.000 1.266 141 W CB -0.309 29.036 29.460 -0.191 0.000 1.150 141 W HN 0.161 nan 8.180 nan 0.000 0.496 142 L N -0.054 121.240 121.223 0.119 0.000 2.046 142 L HA -0.258 4.091 4.340 0.016 0.000 0.208 142 L C 2.453 179.223 176.870 -0.167 0.000 1.077 142 L CA 1.216 56.039 54.840 -0.028 0.000 0.747 142 L CB -1.026 41.009 42.059 -0.040 0.000 0.896 142 L HN 0.036 nan 8.230 nan 0.000 0.432 143 L N -0.085 121.050 121.223 -0.146 0.000 2.265 143 L HA -0.181 4.168 4.340 0.016 0.000 0.215 143 L C 1.877 178.636 176.870 -0.185 0.000 1.117 143 L CA 1.221 55.971 54.840 -0.148 0.000 0.782 143 L CB -0.375 41.608 42.059 -0.127 0.000 0.914 143 L HN 0.489 nan 8.230 nan 0.000 0.441 144 E N -2.457 117.580 120.200 -0.273 0.000 2.660 144 E HA 0.098 4.458 4.350 0.016 0.000 0.216 144 E C 0.512 176.876 176.600 -0.393 0.000 0.986 144 E CA -0.159 56.073 56.400 -0.280 0.000 1.037 144 E CB 0.230 29.788 29.700 -0.236 0.000 1.041 144 E HN 0.404 nan 8.360 nan 0.000 0.480 145 N N 0.639 119.012 118.700 -0.545 0.000 2.145 145 N HA 0.127 4.876 4.740 0.016 0.000 0.219 145 N C -0.379 174.928 175.510 -0.338 0.000 1.266 145 N CA 0.124 52.788 53.050 -0.642 0.000 0.902 145 N CB 1.982 39.528 38.487 -1.568 0.000 1.078 145 N HN -0.057 nan 8.380 nan 0.000 0.513 146 V N 1.849 121.631 119.914 -0.219 0.000 2.769 146 V HA 0.279 4.408 4.120 0.016 0.000 0.312 146 V C -1.197 174.864 176.094 -0.055 0.000 1.058 146 V CA -1.298 60.962 62.300 -0.067 0.000 0.952 146 V CB 1.673 33.492 31.823 -0.007 0.000 1.019 146 V HN -0.114 nan 8.190 nan 0.000 0.445 147 P HA -0.226 nan 4.420 nan 0.000 0.227 147 P C 0.866 178.148 177.300 -0.029 0.000 0.791 147 P CA 2.190 65.282 63.100 -0.014 0.000 1.075 147 P CB 0.023 31.726 31.700 0.004 0.000 0.728 148 G N -3.035 105.750 108.800 -0.025 0.000 4.773 148 G HA2 0.203 4.172 3.960 0.016 0.000 0.269 148 G HA3 0.203 4.172 3.960 0.016 0.000 0.269 148 G C 0.695 175.574 174.900 -0.036 0.000 0.992 148 G CA -0.117 44.964 45.100 -0.032 0.000 0.775 148 G HN 0.232 nan 8.290 nan 0.000 0.471 149 L N 0.926 122.125 121.223 -0.040 0.000 2.021 149 L HA -0.053 4.297 4.340 0.016 0.000 0.215 149 L C 2.758 179.594 176.870 -0.058 0.000 1.074 149 L CA 2.670 57.483 54.840 -0.044 0.000 0.760 149 L CB -0.168 41.862 42.059 -0.049 0.000 0.889 149 L HN 0.219 nan 8.230 nan 0.000 0.433 150 K N 0.121 120.479 120.400 -0.069 0.000 2.032 150 K HA -0.233 4.096 4.320 0.016 0.000 0.218 150 K C 1.961 178.525 176.600 -0.060 0.000 1.054 150 K CA 2.374 58.617 56.287 -0.073 0.000 0.941 150 K CB -1.016 31.439 32.500 -0.075 0.000 0.720 150 K HN 0.481 nan 8.250 nan 0.000 0.449 151 A N 0.562 123.353 122.820 -0.049 0.000 2.015 151 A HA -0.109 4.221 4.320 0.016 0.000 0.219 151 A C 2.098 179.660 177.584 -0.036 0.000 1.163 151 A CA 1.463 53.476 52.037 -0.039 0.000 0.646 151 A CB -0.401 18.580 19.000 -0.032 0.000 0.806 151 A HN 0.376 nan 8.150 nan 0.000 0.448 152 R N -0.439 120.039 120.500 -0.037 0.000 2.075 152 R HA -0.038 4.312 4.340 0.016 0.000 0.232 152 R C 2.528 178.800 176.300 -0.045 0.000 1.126 152 R CA 1.157 57.237 56.100 -0.034 0.000 0.963 152 R CB -0.567 29.715 30.300 -0.029 0.000 0.858 152 R HN 0.487 nan 8.270 nan 0.000 0.435 153 A N 1.785 124.569 122.820 -0.059 0.000 1.883 153 A HA -0.224 4.106 4.320 0.016 0.000 0.217 153 A C 1.926 179.472 177.584 -0.064 0.000 1.186 153 A CA 1.601 53.593 52.037 -0.074 0.000 0.624 153 A CB -0.479 18.467 19.000 -0.090 0.000 0.822 153 A HN 0.330 nan 8.150 nan 0.000 0.444 154 E N -0.794 119.372 120.200 -0.057 0.000 2.331 154 E HA -0.097 4.263 4.350 0.016 0.000 0.199 154 E C 1.875 178.454 176.600 -0.034 0.000 1.008 154 E CA 0.603 56.974 56.400 -0.047 0.000 0.843 154 E CB -0.302 29.372 29.700 -0.043 0.000 0.761 154 E HN 0.647 nan 8.360 nan 0.000 0.507 155 G N -0.427 108.354 108.800 -0.031 0.000 2.534 155 G HA2 -0.021 3.948 3.960 0.016 0.000 0.217 155 G HA3 -0.021 3.948 3.960 0.016 0.000 0.217 155 G C 1.191 176.082 174.900 -0.014 0.000 1.128 155 G CA 0.474 45.563 45.100 -0.019 0.000 0.784 155 G HN 0.438 nan 8.290 nan 0.000 0.542 156 G N -1.242 107.543 108.800 -0.024 0.000 2.195 156 G HA2 -0.144 3.826 3.960 0.016 0.000 0.246 156 G HA3 -0.144 3.826 3.960 0.016 0.000 0.246 156 G C 1.234 176.126 174.900 -0.013 0.000 0.984 156 G CA 0.577 45.668 45.100 -0.015 0.000 0.633 156 G HN 1.133 nan 8.290 nan 0.000 0.525 157 G N -0.515 108.273 108.800 -0.019 0.000 2.880 157 G HA2 0.418 4.388 3.960 0.016 0.000 0.209 157 G HA3 0.418 4.388 3.960 0.016 0.000 0.209 157 G C 0.587 175.448 174.900 -0.064 0.000 1.157 157 G CA 0.960 46.052 45.100 -0.014 0.000 0.779 157 G HN 0.908 nan 8.290 nan 0.000 0.539 158 V N 0.720 120.571 119.914 -0.106 0.000 2.539 158 V HA 0.718 4.848 4.120 0.016 0.000 0.292 158 V C 0.131 176.034 176.094 -0.318 0.000 1.045 158 V CA -0.717 61.466 62.300 -0.195 0.000 0.945 158 V CB 1.425 33.160 31.823 -0.147 0.000 0.993 158 V HN 0.303 nan 8.190 nan 0.000 0.464 159 A N 4.188 126.628 122.820 -0.634 0.000 2.343 159 A HA 0.835 5.164 4.320 0.016 0.000 0.316 159 A C -1.120 175.877 177.584 -0.978 0.000 1.104 159 A CA -0.435 51.034 52.037 -0.947 0.000 0.768 159 A CB 1.124 19.017 19.000 -1.844 0.000 1.213 159 A HN 0.783 nan 8.150 nan 0.000 0.456 160 F N 2.079 121.656 119.950 -0.621 0.000 2.470 160 F HA 0.832 5.367 4.527 0.013 0.000 0.329 160 F C 0.288 175.939 175.800 -0.248 0.000 1.072 160 F CA 0.013 57.759 58.000 -0.424 0.000 0.989 160 F CB 1.923 40.781 39.000 -0.237 0.000 1.193 160 F HN 0.980 nan 8.300 nan 0.000 0.481 161 G N 1.659 109.589 108.800 -1.450 0.000 2.442 161 G HA2 0.450 4.420 3.960 0.016 0.000 0.296 161 G HA3 0.450 4.420 3.960 0.016 0.000 0.296 161 G C -1.365 173.215 174.900 -0.534 0.000 1.564 161 G CA -0.387 44.181 45.100 -0.887 0.000 0.828 161 G HN 0.875 nan 8.290 nan 0.000 0.571 162 T N -1.201 113.201 114.554 -0.254 0.000 2.824 162 T HA 0.451 4.811 4.350 0.016 0.000 0.277 162 T C 1.663 176.429 174.700 0.110 0.000 0.975 162 T CA 0.022 62.110 62.100 -0.020 0.000 0.966 162 T CB 1.385 70.276 68.868 0.038 0.000 1.054 162 T HN 0.659 nan 8.240 nan 0.000 0.533 163 V N 1.923 121.921 119.914 0.140 0.000 2.469 163 V HA -0.209 3.921 4.120 0.016 0.000 0.251 163 V C 2.672 178.888 176.094 0.204 0.000 1.064 163 V CA 2.239 64.666 62.300 0.212 0.000 1.066 163 V CB -1.132 30.810 31.823 0.198 0.000 0.667 163 V HN 1.018 nan 8.190 nan 0.000 0.461 164 D N -0.192 120.283 120.400 0.126 0.000 2.097 164 D HA -0.198 4.452 4.640 0.016 0.000 0.195 164 D C 1.938 178.311 176.300 0.121 0.000 0.989 164 D CA 1.986 56.029 54.000 0.070 0.000 0.827 164 D CB -0.868 39.934 40.800 0.004 0.000 0.966 164 D HN 0.414 nan 8.370 nan 0.000 0.456 165 T N -0.148 114.525 114.554 0.198 0.000 2.788 165 T HA -0.150 4.210 4.350 0.016 0.000 0.268 165 T C 1.465 176.422 174.700 0.429 0.000 1.044 165 T CA 1.065 63.377 62.100 0.352 0.000 1.139 165 T CB -0.529 68.567 68.868 0.380 0.000 0.867 165 T HN 0.403 nan 8.240 nan 0.000 0.454 166 W N 1.420 122.738 121.300 0.030 0.000 2.379 166 W HA -0.043 4.627 4.660 0.015 0.000 0.307 166 W C 1.678 178.041 176.519 -0.259 0.000 1.200 166 W CA 0.530 57.688 57.345 -0.312 0.000 1.297 166 W CB -0.251 29.051 29.460 -0.263 0.000 1.140 166 W HN 0.190 nan 8.180 nan 0.000 0.507 167 L N 0.536 121.694 121.223 -0.108 0.000 2.083 167 L HA -0.266 4.083 4.340 0.016 0.000 0.209 167 L C 2.382 179.108 176.870 -0.240 0.000 1.083 167 L CA 1.282 55.991 54.840 -0.218 0.000 0.752 167 L CB -0.783 41.290 42.059 0.023 0.000 0.899 167 L HN 0.016 nan 8.230 nan 0.000 0.433 168 I N -1.304 119.224 120.570 -0.070 0.000 2.315 168 I HA -0.305 3.875 4.170 0.016 0.000 0.248 168 I C 2.397 178.495 176.117 -0.032 0.000 1.117 168 I CA 1.083 62.379 61.300 -0.006 0.000 1.404 168 I CB -0.373 37.703 38.000 0.127 0.000 1.071 168 I HN 0.520 nan 8.210 nan 0.000 0.419 169 W N 2.347 123.508 121.300 -0.231 0.000 2.381 169 W HA -0.168 4.502 4.660 0.017 0.000 0.301 169 W C 2.090 178.282 176.519 -0.545 0.000 1.205 169 W CA 1.408 58.593 57.345 -0.266 0.000 1.285 169 W CB -0.426 28.894 29.460 -0.233 0.000 1.133 169 W HN 0.202 nan 8.180 nan 0.000 0.521 170 N N 0.771 119.046 118.700 -0.709 0.000 2.270 170 N HA -0.112 4.638 4.740 0.016 0.000 0.181 170 N C 1.961 177.016 175.510 -0.759 0.000 1.016 170 N CA 1.258 53.626 53.050 -1.136 0.000 0.870 170 N CB -0.586 36.379 38.487 -2.538 0.000 0.979 170 N HN 0.248 nan 8.380 nan 0.000 0.431 171 L N 0.795 121.715 121.223 -0.505 0.000 2.201 171 L HA -0.089 4.260 4.340 0.016 0.000 0.212 171 L C 1.750 178.541 176.870 -0.131 0.000 1.105 171 L CA 1.241 55.988 54.840 -0.156 0.000 0.775 171 L CB -0.468 41.560 42.059 -0.051 0.000 0.913 171 L HN 0.282 nan 8.230 nan 0.000 0.440 172 T N -4.454 109.973 114.554 -0.212 0.000 3.129 172 T HA 0.282 4.642 4.350 0.016 0.000 0.267 172 T C 1.168 175.700 174.700 -0.280 0.000 1.018 172 T CA 0.239 62.225 62.100 -0.191 0.000 0.903 172 T CB 0.572 69.346 68.868 -0.157 0.000 1.067 172 T HN 0.358 nan 8.240 nan 0.000 0.549 173 G N 0.918 109.513 108.800 -0.342 0.000 2.323 173 G HA2 0.115 4.085 3.960 0.016 0.000 0.292 173 G HA3 0.115 4.085 3.960 0.016 0.000 0.292 173 G C 1.177 175.756 174.900 -0.534 0.000 1.040 173 G CA 0.372 45.263 45.100 -0.349 0.000 0.942 173 G HN 1.783 nan 8.290 nan 0.000 0.506 174 G N -0.964 107.218 108.800 -1.029 0.000 2.212 174 G HA2 -0.364 3.606 3.960 0.016 0.000 0.266 174 G HA3 -0.364 3.606 3.960 0.016 0.000 0.266 174 G C 1.257 175.570 174.900 -0.978 0.000 0.978 174 G CA 1.418 45.513 45.100 -1.675 0.000 0.632 174 G HN 0.912 nan 8.290 nan 0.000 0.537 175 K N -0.650 119.437 120.400 -0.522 0.000 2.211 175 K HA 0.219 4.549 4.320 0.016 0.000 0.203 175 K C 0.681 177.178 176.600 -0.171 0.000 1.050 175 K CA 1.238 57.362 56.287 -0.271 0.000 0.945 175 K CB 0.267 32.662 32.500 -0.175 0.000 0.732 175 K HN 0.325 nan 8.250 nan 0.000 0.451 176 V N 1.253 121.070 119.914 -0.163 0.000 2.407 176 V HA 0.090 4.220 4.120 0.016 0.000 0.291 176 V C -0.878 175.368 176.094 0.253 0.000 1.018 176 V CA -0.791 61.534 62.300 0.041 0.000 0.842 176 V CB 1.298 33.162 31.823 0.068 0.000 0.996 176 V HN 0.216 nan 8.190 nan 0.000 0.426 177 H N 4.504 123.724 119.070 0.250 0.000 2.746 177 H HA 0.731 5.297 4.556 0.018 0.000 0.269 177 H C -0.091 175.437 175.328 0.333 0.000 1.248 177 H CA 0.021 56.339 56.048 0.450 0.000 1.258 177 H CB 0.636 30.683 29.762 0.475 0.000 1.441 177 H HN 0.851 nan 8.280 nan 0.000 0.508 178 A N 3.364 126.418 122.820 0.390 0.000 2.552 178 A HA 0.666 4.995 4.320 0.016 0.000 0.288 178 A C -0.790 176.984 177.584 0.318 0.000 1.193 178 A CA -0.536 51.659 52.037 0.264 0.000 0.713 178 A CB 2.260 21.413 19.000 0.254 0.000 1.305 178 A HN 0.532 nan 8.150 nan 0.000 0.424 179 T N -1.005 113.732 114.554 0.306 0.000 2.665 179 T HA 0.553 4.912 4.350 0.016 0.000 0.303 179 T C -2.318 172.509 174.700 0.211 0.000 1.334 179 T CA 0.109 62.337 62.100 0.213 0.000 1.011 179 T CB 1.613 70.537 68.868 0.093 0.000 1.573 179 T HN 1.163 nan 8.240 nan 0.000 0.492 180 D N 0.095 120.519 120.400 0.040 0.000 2.477 180 D HA 0.470 5.120 4.640 0.016 0.000 0.234 180 D C -2.213 173.948 176.300 -0.232 0.000 1.048 180 D CA -1.750 52.251 54.000 0.001 0.000 0.959 180 D CB 1.542 42.375 40.800 0.055 0.000 1.408 180 D HN 0.212 nan 8.370 nan 0.000 0.496 181 P HA -0.166 nan 4.420 nan 0.000 0.217 181 P C 1.452 178.545 177.300 -0.345 0.000 1.151 181 P CA 2.724 65.592 63.100 -0.387 0.000 0.849 181 P CB -0.040 31.617 31.700 -0.072 0.000 0.787 182 T N -4.133 110.306 114.554 -0.191 0.000 2.821 182 T HA -0.108 4.251 4.350 0.016 0.000 0.267 182 T C 1.791 176.405 174.700 -0.143 0.000 1.046 182 T CA 1.170 63.188 62.100 -0.136 0.000 1.139 182 T CB -0.923 67.901 68.868 -0.073 0.000 0.871 182 T HN 0.052 nan 8.240 nan 0.000 0.454 183 N N 1.658 120.262 118.700 -0.159 0.000 2.173 183 N HA 0.109 4.858 4.740 0.016 0.000 0.184 183 N C 2.350 177.770 175.510 -0.150 0.000 1.025 183 N CA 1.284 54.269 53.050 -0.108 0.000 0.852 183 N CB -0.436 38.013 38.487 -0.063 0.000 0.998 183 N HN 0.553 nan 8.380 nan 0.000 0.427 184 A N 1.008 123.604 122.820 -0.373 0.000 2.024 184 A HA -0.129 4.201 4.320 0.016 0.000 0.220 184 A C 2.095 179.424 177.584 -0.426 0.000 1.164 184 A CA 1.831 53.522 52.037 -0.577 0.000 0.643 184 A CB -0.590 17.497 19.000 -1.521 0.000 0.806 184 A HN 0.434 nan 8.150 nan 0.000 0.451 185 S N -1.723 113.771 115.700 -0.343 0.000 2.720 185 S HA 0.122 4.602 4.470 0.016 0.000 0.222 185 S C 0.968 175.581 174.600 0.021 0.000 0.958 185 S CA 0.061 58.274 58.200 0.022 0.000 0.943 185 S CB -0.042 63.215 63.200 0.096 0.000 0.779 185 S HN 0.369 nan 8.310 nan 0.000 0.526 186 R N 1.043 121.557 120.500 0.024 0.000 2.596 186 R HA 0.238 4.587 4.340 0.016 0.000 0.369 186 R C 1.257 177.651 176.300 0.156 0.000 1.042 186 R CA 0.758 56.905 56.100 0.078 0.000 1.120 186 R CB -0.259 30.085 30.300 0.073 0.000 1.353 186 R HN 0.663 nan 8.270 nan 0.000 0.564 187 T N -3.318 111.336 114.554 0.166 0.000 2.985 187 T HA 0.122 4.481 4.350 0.016 0.000 0.254 187 T C 0.910 175.739 174.700 0.215 0.000 1.021 187 T CA -0.050 62.200 62.100 0.250 0.000 0.957 187 T CB 0.332 69.432 68.868 0.387 0.000 1.047 187 T HN -0.002 nan 8.240 nan 0.000 0.511 188 L N -0.707 120.608 121.223 0.153 0.000 5.044 188 L HA -0.127 4.222 4.340 0.016 0.000 0.412 188 L C 0.757 177.847 176.870 0.367 0.000 0.971 188 L CA 1.073 56.028 54.840 0.192 0.000 1.411 188 L CB -1.509 40.651 42.059 0.169 0.000 1.884 188 L HN 0.541 nan 8.230 nan 0.000 0.631 189 L N -2.442 119.008 121.223 0.378 0.000 2.857 189 L HA 0.336 4.685 4.340 0.016 0.000 0.249 189 L C 0.239 177.466 176.870 0.595 0.000 1.172 189 L CA -0.149 54.936 54.840 0.408 0.000 0.980 189 L CB 0.105 42.331 42.059 0.278 0.000 1.299 189 L HN 0.146 nan 8.230 nan 0.000 0.535 190 F N 1.287 121.400 119.950 0.272 0.000 2.482 190 F HA 0.452 4.989 4.527 0.016 0.000 0.331 190 F C 0.084 175.889 175.800 0.009 0.000 1.115 190 F CA -1.019 57.057 58.000 0.127 0.000 0.955 190 F CB 1.210 40.186 39.000 -0.039 0.000 1.136 190 F HN -0.147 nan 8.300 nan 0.000 0.452 191 N N 6.116 124.517 118.700 -0.498 0.000 2.401 191 N HA 0.103 4.852 4.740 0.016 0.000 0.255 191 N C 0.444 175.506 175.510 -0.746 0.000 1.110 191 N CA -0.347 52.435 53.050 -0.447 0.000 0.949 191 N CB 1.010 39.319 38.487 -0.296 0.000 1.110 191 N HN 0.710 nan 8.380 nan 0.000 0.490 192 L N 3.059 123.994 121.223 -0.479 0.000 2.552 192 L HA 0.166 4.515 4.340 0.016 0.000 0.227 192 L C 1.465 178.189 176.870 -0.244 0.000 1.146 192 L CA 0.888 55.540 54.840 -0.313 0.000 0.858 192 L CB -1.193 40.814 42.059 -0.085 0.000 0.969 192 L HN 0.520 nan 8.230 nan 0.000 0.451 193 H N 0.756 119.738 119.070 -0.147 0.000 2.306 193 H HA 0.074 4.639 4.556 0.016 0.000 0.307 193 H C 1.886 177.155 175.328 -0.097 0.000 1.061 193 H CA 2.013 57.996 56.048 -0.110 0.000 1.359 193 H CB -0.380 29.300 29.762 -0.137 0.000 1.407 193 H HN 0.522 nan 8.280 nan 0.000 0.517 194 T N -0.484 114.052 114.554 -0.030 0.000 3.129 194 T HA 0.079 4.438 4.350 0.016 0.000 0.251 194 T C 0.722 175.331 174.700 -0.151 0.000 1.117 194 T CA -0.171 61.884 62.100 -0.076 0.000 1.034 194 T CB -0.310 68.507 68.868 -0.085 0.000 0.968 194 T HN 0.073 nan 8.240 nan 0.000 0.526 195 L N 0.541 121.586 121.223 -0.296 0.000 3.713 195 L HA -0.005 4.345 4.340 0.016 0.000 0.499 195 L C 0.245 176.894 176.870 -0.368 0.000 1.281 195 L CA 0.785 55.409 54.840 -0.360 0.000 0.796 195 L CB -2.073 39.980 42.059 -0.011 0.000 1.535 195 L HN 0.837 nan 8.230 nan 0.000 0.851 196 A N -0.353 122.000 122.820 -0.779 0.000 2.608 196 A HA 0.680 5.010 4.320 0.016 0.000 0.292 196 A C -0.890 176.544 177.584 -0.249 0.000 1.066 196 A CA -0.768 51.087 52.037 -0.302 0.000 0.676 196 A CB 0.412 19.348 19.000 -0.107 0.000 1.277 196 A HN 0.232 nan 8.150 nan 0.000 0.413 197 W N 1.159 122.557 121.300 0.163 0.000 2.231 197 W HA 0.278 4.949 4.660 0.019 0.000 0.341 197 W C 0.316 176.838 176.519 0.005 0.000 1.298 197 W CA 0.510 57.950 57.345 0.157 0.000 1.266 197 W CB 0.519 30.065 29.460 0.142 0.000 1.172 197 W HN 0.609 nan 8.180 nan 0.000 0.568 198 D N 4.192 124.744 120.400 0.254 0.000 2.392 198 D HA 0.177 4.826 4.640 0.016 0.000 0.228 198 D C -1.660 174.673 176.300 0.055 0.000 1.074 198 D CA -2.028 52.017 54.000 0.074 0.000 0.838 198 D CB 1.847 42.629 40.800 -0.029 0.000 1.067 198 D HN -0.017 nan 8.370 nan 0.000 0.511 199 P HA -0.160 nan 4.420 nan 0.000 0.216 199 P C 1.123 178.413 177.300 -0.017 0.000 1.153 199 P CA 0.980 64.087 63.100 0.012 0.000 0.858 199 P CB 0.421 32.126 31.700 0.010 0.000 0.789 200 E N -0.644 119.530 120.200 -0.043 0.000 2.118 200 E HA -0.177 4.183 4.350 0.016 0.000 0.195 200 E C 1.821 178.360 176.600 -0.101 0.000 0.992 200 E CA 0.904 57.262 56.400 -0.070 0.000 0.804 200 E CB -0.440 29.201 29.700 -0.098 0.000 0.741 200 E HN 0.185 nan 8.360 nan 0.000 0.458 201 L N 0.137 121.271 121.223 -0.147 0.000 2.095 201 L HA -0.124 4.225 4.340 0.016 0.000 0.204 201 L C 2.463 179.384 176.870 0.084 0.000 1.080 201 L CA 0.537 55.263 54.840 -0.191 0.000 0.759 201 L CB -0.340 41.568 42.059 -0.251 0.000 0.914 201 L HN 0.210 nan 8.230 nan 0.000 0.439 202 L N -0.302 120.945 121.223 0.040 0.000 2.079 202 L HA -0.219 4.131 4.340 0.016 0.000 0.210 202 L C 2.518 179.398 176.870 0.017 0.000 1.081 202 L CA 1.095 55.944 54.840 0.016 0.000 0.752 202 L CB -0.420 41.614 42.059 -0.043 0.000 0.896 202 L HN 0.263 nan 8.230 nan 0.000 0.433 203 E N 0.315 120.525 120.200 0.016 0.000 2.047 203 E HA -0.159 4.200 4.350 0.016 0.000 0.191 203 E C 2.243 178.870 176.600 0.046 0.000 0.987 203 E CA 1.349 57.758 56.400 0.014 0.000 0.799 203 E CB -0.172 29.530 29.700 0.004 0.000 0.752 203 E HN 0.375 nan 8.360 nan 0.000 0.449 204 A N 0.202 123.081 122.820 0.099 0.000 1.917 204 A HA -0.177 4.152 4.320 0.016 0.000 0.219 204 A C 2.019 179.686 177.584 0.137 0.000 1.182 204 A CA 1.512 53.651 52.037 0.169 0.000 0.633 204 A CB -0.613 18.601 19.000 0.356 0.000 0.819 204 A HN 0.303 nan 8.150 nan 0.000 0.448 205 L N -1.311 119.995 121.223 0.140 0.000 2.592 205 L HA 0.261 4.611 4.340 0.016 0.000 0.227 205 L C 1.409 178.269 176.870 -0.015 0.000 1.127 205 L CA 0.345 55.209 54.840 0.041 0.000 0.884 205 L CB -0.255 41.831 42.059 0.046 0.000 1.065 205 L HN 0.549 nan 8.230 nan 0.000 0.457 206 G N 1.677 110.471 108.800 -0.010 0.000 2.272 206 G HA2 -0.272 3.697 3.960 0.016 0.000 0.280 206 G HA3 -0.272 3.697 3.960 0.016 0.000 0.280 206 G C -0.031 174.829 174.900 -0.067 0.000 1.067 206 G CA -0.124 44.953 45.100 -0.039 0.000 0.902 206 G HN 0.318 nan 8.290 nan 0.000 0.500 207 I N 0.912 121.437 120.570 -0.076 0.000 2.330 207 I HA 0.261 4.440 4.170 0.016 0.000 0.289 207 I C -1.845 174.194 176.117 -0.131 0.000 1.001 207 I CA -2.365 58.859 61.300 -0.127 0.000 1.193 207 I CB 1.662 39.560 38.000 -0.170 0.000 1.345 207 I HN -0.076 nan 8.210 nan 0.000 0.461 208 P HA 0.097 nan 4.420 nan 0.000 0.269 208 P C 0.250 177.463 177.300 -0.145 0.000 1.209 208 P CA -0.168 62.864 63.100 -0.112 0.000 0.776 208 P CB 1.013 32.655 31.700 -0.097 0.000 0.876 209 A N 2.518 125.266 122.820 -0.120 0.000 2.132 209 A HA 0.180 4.509 4.320 0.016 0.000 0.213 209 A C 1.942 179.462 177.584 -0.106 0.000 1.154 209 A CA 1.007 52.958 52.037 -0.144 0.000 0.753 209 A CB -1.197 17.745 19.000 -0.097 0.000 0.826 209 A HN 0.528 nan 8.150 nan 0.000 0.469 210 A N -0.070 122.708 122.820 -0.071 0.000 2.245 210 A HA 0.061 4.390 4.320 0.016 0.000 0.217 210 A C 1.560 179.124 177.584 -0.034 0.000 1.171 210 A CA 1.595 53.609 52.037 -0.038 0.000 0.688 210 A CB -0.542 18.437 19.000 -0.034 0.000 0.781 210 A HN 0.969 nan 8.150 nan 0.000 0.479 211 L N -3.686 117.497 121.223 -0.067 0.000 2.858 211 L HA 0.491 4.841 4.340 0.016 0.000 0.251 211 L C 0.137 177.033 176.870 0.042 0.000 1.149 211 L CA -0.156 54.663 54.840 -0.035 0.000 0.955 211 L CB -0.763 41.243 42.059 -0.088 0.000 1.289 211 L HN 0.038 nan 8.230 nan 0.000 0.542 212 L N 3.671 124.846 121.223 -0.080 0.000 2.380 212 L HA 0.370 4.719 4.340 0.016 0.000 0.273 212 L C -1.801 175.033 176.870 -0.060 0.000 1.138 212 L CA -1.423 53.321 54.840 -0.161 0.000 0.832 212 L CB 0.768 42.409 42.059 -0.696 0.000 1.124 212 L HN 0.054 nan 8.230 nan 0.000 0.454 213 P HA 0.102 nan 4.420 nan 0.000 0.278 213 P C -0.912 176.440 177.300 0.088 0.000 1.258 213 P CA -0.612 62.156 63.100 -0.553 0.000 0.811 213 P CB 0.936 32.260 31.700 -0.627 0.000 1.063 214 E N 0.259 120.472 120.200 0.022 0.000 2.354 214 E HA 0.225 4.584 4.350 0.016 0.000 0.269 214 E C -0.774 175.867 176.600 0.068 0.000 1.036 214 E CA -0.568 55.900 56.400 0.113 0.000 0.876 214 E CB 0.851 30.587 29.700 0.060 0.000 1.009 214 E HN 0.135 nan 8.360 nan 0.000 0.416 215 V N 5.653 125.574 119.914 0.011 0.000 2.364 215 V HA 0.386 4.516 4.120 0.016 0.000 0.272 215 V C 0.194 176.243 176.094 -0.076 0.000 1.036 215 V CA -0.395 61.852 62.300 -0.088 0.000 0.880 215 V CB 0.831 32.516 31.823 -0.230 0.000 0.991 215 V HN 0.607 nan 8.190 nan 0.000 0.460 216 R N 5.422 125.876 120.500 -0.076 0.000 2.803 216 R HA 0.554 4.904 4.340 0.016 0.000 0.276 216 R C -2.712 173.591 176.300 0.004 0.000 0.978 216 R CA -2.022 53.990 56.100 -0.147 0.000 0.939 216 R CB 2.335 32.326 30.300 -0.516 0.000 1.179 216 R HN 0.415 nan 8.270 nan 0.000 0.472 217 P HA -0.025 nan 4.420 nan 0.000 0.270 217 P C -0.044 177.349 177.300 0.155 0.000 1.227 217 P CA 0.066 63.200 63.100 0.056 0.000 0.788 217 P CB 0.633 32.347 31.700 0.023 0.000 0.926 218 S N 0.063 115.817 115.700 0.091 0.000 2.419 218 S HA -0.144 4.336 4.470 0.016 0.000 0.235 218 S C 1.019 175.650 174.600 0.052 0.000 1.019 218 S CA 1.736 59.969 58.200 0.054 0.000 0.982 218 S CB -0.684 62.503 63.200 -0.022 0.000 0.789 218 S HN 0.701 nan 8.310 nan 0.000 0.490 219 D N 0.485 120.916 120.400 0.052 0.000 2.559 219 D HA 0.257 4.907 4.640 0.016 0.000 0.234 219 D C 0.702 177.057 176.300 0.093 0.000 1.226 219 D CA -0.237 53.788 54.000 0.041 0.000 0.830 219 D CB -0.474 40.315 40.800 -0.018 0.000 1.028 219 D HN 0.224 nan 8.370 nan 0.000 0.492 220 G N 0.117 109.021 108.800 0.172 0.000 2.516 220 G HA2 0.255 4.224 3.960 0.016 0.000 0.276 220 G HA3 0.255 4.224 3.960 0.016 0.000 0.276 220 G C -0.678 174.269 174.900 0.077 0.000 1.390 220 G CA -0.490 44.638 45.100 0.047 0.000 1.050 220 G HN 0.224 nan 8.290 nan 0.000 0.519 221 D N -1.471 118.864 120.400 -0.107 0.000 2.414 221 D HA 0.388 5.038 4.640 0.016 0.000 0.232 221 D C -0.726 175.466 176.300 -0.181 0.000 1.070 221 D CA -0.686 53.291 54.000 -0.038 0.000 0.839 221 D CB 0.650 41.420 40.800 -0.051 0.000 1.079 221 D HN 0.049 nan 8.370 nan 0.000 0.521 222 F N 3.277 123.228 119.950 0.002 0.000 2.837 222 F HA 0.486 5.022 4.527 0.015 0.000 0.298 222 F C 1.480 177.280 175.800 0.001 0.000 1.161 222 F CA 0.243 58.248 58.000 0.008 0.000 1.353 222 F CB 0.522 39.530 39.000 0.013 0.000 0.951 222 F HN 0.686 nan 8.300 nan 0.000 0.508 223 G N 0.683 109.540 108.800 0.094 0.000 2.593 223 G HA2 -0.145 3.825 3.960 0.016 0.000 0.237 223 G HA3 -0.145 3.825 3.960 0.016 0.000 0.237 223 G C -0.650 174.283 174.900 0.054 0.000 1.312 223 G CA -0.779 44.352 45.100 0.051 0.000 0.896 223 G HN 0.129 nan 8.290 nan 0.000 0.574 224 E N -0.228 119.987 120.200 0.025 0.000 2.369 224 E HA 0.617 4.977 4.350 0.016 0.000 0.270 224 E C 0.395 177.000 176.600 0.007 0.000 0.909 224 E CA -0.057 56.355 56.400 0.021 0.000 0.775 224 E CB 1.305 31.011 29.700 0.011 0.000 1.270 224 E HN 1.081 nan 8.360 nan 0.000 0.445 225 T N -1.419 113.143 114.554 0.014 0.000 2.868 225 T HA 0.458 4.818 4.350 0.016 0.000 0.292 225 T C 0.858 175.558 174.700 0.001 0.000 1.028 225 T CA -0.746 61.360 62.100 0.011 0.000 1.059 225 T CB 0.361 69.249 68.868 0.033 0.000 0.991 225 T HN 0.269 nan 8.240 nan 0.000 0.531 226 L N 3.547 124.768 121.223 -0.004 0.000 2.453 226 L HA 0.195 4.544 4.340 0.016 0.000 0.272 226 L C -0.757 176.117 176.870 0.007 0.000 1.182 226 L CA -1.897 52.938 54.840 -0.008 0.000 0.858 226 L CB 0.584 42.636 42.059 -0.011 0.000 1.120 226 L HN 0.579 nan 8.230 nan 0.000 0.474 227 P HA -0.218 nan 4.420 nan 0.000 0.215 227 P C 1.122 178.425 177.300 0.005 0.000 1.153 227 P CA 1.409 64.511 63.100 0.003 0.000 0.853 227 P CB 0.019 31.719 31.700 -0.000 0.000 0.788 228 E N 0.365 120.568 120.200 0.007 0.000 2.187 228 E HA -0.192 4.167 4.350 0.016 0.000 0.199 228 E C 2.123 178.728 176.600 0.009 0.000 1.004 228 E CA 1.071 57.476 56.400 0.008 0.000 0.813 228 E CB -1.210 28.498 29.700 0.014 0.000 0.736 228 E HN 0.253 nan 8.360 nan 0.000 0.468 229 L N 0.253 121.488 121.223 0.020 0.000 1.973 229 L HA -0.117 4.233 4.340 0.016 0.000 0.208 229 L C 2.626 179.489 176.870 -0.013 0.000 1.073 229 L CA 1.152 56.004 54.840 0.020 0.000 0.746 229 L CB -0.252 41.846 42.059 0.066 0.000 0.891 229 L HN 0.152 nan 8.230 nan 0.000 0.433 230 L N -1.434 119.786 121.223 -0.006 0.000 2.585 230 L HA 0.225 4.574 4.340 0.016 0.000 0.226 230 L C 1.406 178.266 176.870 -0.018 0.000 1.113 230 L CA 0.607 55.435 54.840 -0.021 0.000 0.876 230 L CB 0.359 42.413 42.059 -0.008 0.000 1.072 230 L HN 0.570 nan 8.230 nan 0.000 0.468 231 G N 0.072 108.866 108.800 -0.010 0.000 2.259 231 G HA2 -0.156 3.814 3.960 0.016 0.000 0.217 231 G HA3 -0.156 3.814 3.960 0.016 0.000 0.217 231 G C 0.177 175.076 174.900 -0.001 0.000 1.001 231 G CA -0.092 45.003 45.100 -0.008 0.000 0.627 231 G HN 0.540 nan 8.290 nan 0.000 0.501 232 A N 0.321 123.143 122.820 0.003 0.000 2.594 232 A HA 0.832 5.161 4.320 0.016 0.000 0.295 232 A C -3.013 174.577 177.584 0.009 0.000 1.071 232 A CA -0.704 51.336 52.037 0.006 0.000 0.685 232 A CB 1.892 20.897 19.000 0.008 0.000 1.285 232 A HN 0.350 nan 8.150 nan 0.000 0.405 233 P HA 0.322 nan 4.420 nan 0.000 0.268 233 P C -0.660 176.651 177.300 0.018 0.000 1.204 233 P CA 0.231 63.337 63.100 0.011 0.000 0.768 233 P CB 0.969 32.672 31.700 0.006 0.000 0.842 234 V N 6.109 126.037 119.914 0.023 0.000 2.487 234 V HA 0.302 4.432 4.120 0.016 0.000 0.298 234 V C -2.253 173.862 176.094 0.035 0.000 1.028 234 V CA -2.308 60.011 62.300 0.031 0.000 0.860 234 V CB 1.848 33.692 31.823 0.035 0.000 0.991 234 V HN 0.450 nan 8.190 nan 0.000 0.427 235 P HA 0.257 nan 4.420 nan 0.000 0.271 235 P C -0.501 176.834 177.300 0.057 0.000 1.226 235 P CA 0.188 63.315 63.100 0.045 0.000 0.765 235 P CB 0.316 32.041 31.700 0.040 0.000 0.835 236 I N 5.235 125.852 120.570 0.078 0.000 2.287 236 I HA 0.240 4.419 4.170 0.016 0.000 0.290 236 I C 1.230 177.436 176.117 0.150 0.000 1.069 236 I CA -0.235 61.120 61.300 0.090 0.000 1.237 236 I CB 0.702 38.767 38.000 0.108 0.000 1.418 236 I HN 0.197 nan 8.210 nan 0.000 0.481 237 R N 4.597 125.156 120.500 0.099 0.000 2.565 237 R HA 0.337 4.687 4.340 0.016 0.000 0.347 237 R C 0.254 176.593 176.300 0.065 0.000 1.010 237 R CA -0.242 55.935 56.100 0.128 0.000 1.126 237 R CB 1.375 31.720 30.300 0.076 0.000 1.331 237 R HN 0.658 nan 8.270 nan 0.000 0.552 238 G N 0.421 109.200 108.800 -0.035 0.000 2.744 238 G HA2 0.501 4.471 3.960 0.016 0.000 0.286 238 G HA3 0.501 4.471 3.960 0.016 0.000 0.286 238 G C -1.237 173.510 174.900 -0.255 0.000 1.497 238 G CA -0.217 44.813 45.100 -0.115 0.000 1.070 238 G HN -0.069 nan 8.290 nan 0.000 0.539 239 V N 2.958 122.680 119.914 -0.319 0.000 2.668 239 V HA 0.752 4.882 4.120 0.016 0.000 0.304 239 V C -0.949 175.020 176.094 -0.209 0.000 1.071 239 V CA -0.725 61.342 62.300 -0.389 0.000 0.894 239 V CB 1.730 33.056 31.823 -0.828 0.000 1.008 239 V HN 0.746 nan 8.190 nan 0.000 0.425 240 L N 3.229 124.367 121.223 -0.141 0.000 2.591 240 L HA 0.805 5.154 4.340 0.016 0.000 0.257 240 L C 0.358 177.198 176.870 -0.050 0.000 0.935 240 L CA 0.207 54.998 54.840 -0.082 0.000 0.873 240 L CB 2.087 44.100 42.059 -0.077 0.000 1.397 240 L HN 0.777 nan 8.230 nan 0.000 0.414 241 G N 1.541 110.318 108.800 -0.039 0.000 2.491 241 G HA2 0.225 4.195 3.960 0.016 0.000 0.238 241 G HA3 0.225 4.195 3.960 0.016 0.000 0.238 241 G C 0.692 175.578 174.900 -0.024 0.000 1.277 241 G CA 0.400 45.477 45.100 -0.038 0.000 0.851 241 G HN 0.868 nan 8.290 nan 0.000 0.573 242 D N 1.221 121.601 120.400 -0.033 0.000 2.116 242 D HA -0.200 4.449 4.640 0.016 0.000 0.193 242 D C 1.772 178.065 176.300 -0.012 0.000 0.998 242 D CA 1.311 55.303 54.000 -0.014 0.000 0.836 242 D CB -0.202 40.590 40.800 -0.015 0.000 0.951 242 D HN 0.359 nan 8.370 nan 0.000 0.449 243 Q N 0.017 119.772 119.800 -0.074 0.000 2.167 243 Q HA -0.068 4.282 4.340 0.016 0.000 0.202 243 Q C 2.254 178.286 176.000 0.054 0.000 0.970 243 Q CA 1.056 56.840 55.803 -0.031 0.000 0.855 243 Q CB -0.380 28.294 28.738 -0.107 0.000 0.911 243 Q HN 0.466 nan 8.270 nan 0.000 0.438 244 Q N 0.167 120.001 119.800 0.056 0.000 2.230 244 Q HA 0.042 4.391 4.340 0.016 0.000 0.202 244 Q C 1.918 178.055 176.000 0.227 0.000 0.963 244 Q CA 1.310 57.197 55.803 0.141 0.000 0.866 244 Q CB -0.261 28.537 28.738 0.099 0.000 0.931 244 Q HN 0.402 nan 8.270 nan 0.000 0.452 245 A N 0.599 123.498 122.820 0.131 0.000 1.855 245 A HA -0.084 4.246 4.320 0.016 0.000 0.215 245 A C 2.260 179.943 177.584 0.165 0.000 1.191 245 A CA 1.600 53.713 52.037 0.126 0.000 0.613 245 A CB -1.117 17.922 19.000 0.065 0.000 0.829 245 A HN 0.379 nan 8.150 nan 0.000 0.442 246 A N -0.553 122.346 122.820 0.133 0.000 1.986 246 A HA -0.105 4.224 4.320 0.016 0.000 0.220 246 A C 2.135 179.805 177.584 0.143 0.000 1.171 246 A CA 1.845 53.959 52.037 0.128 0.000 0.640 246 A CB -0.631 18.439 19.000 0.116 0.000 0.811 246 A HN 0.771 nan 8.150 nan 0.000 0.451 247 L N -2.028 119.317 121.223 0.202 0.000 2.083 247 L HA -0.050 4.299 4.340 0.016 0.000 0.209 247 L C 2.129 179.181 176.870 0.304 0.000 1.083 247 L CA 2.040 57.034 54.840 0.256 0.000 0.752 247 L CB -0.617 41.644 42.059 0.335 0.000 0.899 247 L HN 0.375 nan 8.230 nan 0.000 0.433 248 F N 0.262 120.274 119.950 0.103 0.000 2.163 248 F HA 0.080 4.617 4.527 0.016 0.000 0.297 248 F C 2.232 177.926 175.800 -0.177 0.000 1.094 248 F CA 1.338 59.206 58.000 -0.220 0.000 1.290 248 F CB -0.836 37.914 39.000 -0.416 0.000 1.017 248 F HN 0.126 nan 8.300 nan 0.000 0.483 249 G N -0.749 108.056 108.800 0.007 0.000 2.443 249 G HA2 -0.188 3.782 3.960 0.016 0.000 0.219 249 G HA3 -0.188 3.782 3.960 0.016 0.000 0.219 249 G C 1.447 176.296 174.900 -0.085 0.000 1.131 249 G CA 0.336 45.402 45.100 -0.057 0.000 0.775 249 G HN 0.288 nan 8.290 nan 0.000 0.547 250 Q N -0.515 119.207 119.800 -0.130 0.000 2.435 250 Q HA 0.241 4.591 4.340 0.016 0.000 0.207 250 Q C 1.924 177.439 176.000 -0.809 0.000 0.956 250 Q CA 0.753 56.363 55.803 -0.322 0.000 0.917 250 Q CB 0.139 28.783 28.738 -0.156 0.000 0.997 250 Q HN 0.614 nan 8.270 nan 0.000 0.497 251 A N -0.390 122.108 122.820 -0.538 0.000 3.080 251 A HA -0.220 4.109 4.320 0.016 0.000 0.254 251 A C 0.891 178.278 177.584 -0.327 0.000 1.277 251 A CA 0.764 52.481 52.037 -0.533 0.000 1.065 251 A CB -2.094 16.520 19.000 -0.644 0.000 1.160 251 A HN 0.403 nan 8.150 nan 0.000 0.886 252 A N -0.065 122.643 122.820 -0.186 0.000 3.051 252 A HA 0.512 4.842 4.320 0.016 0.000 0.275 252 A C 1.114 178.792 177.584 0.156 0.000 1.900 252 A CA 0.787 52.812 52.037 -0.020 0.000 1.496 252 A CB -0.827 18.192 19.000 0.031 0.000 1.013 252 A HN 0.971 nan 8.150 nan 0.000 0.611 253 L N 1.176 122.459 121.223 0.101 0.000 2.416 253 L HA 0.163 4.513 4.340 0.016 0.000 0.216 253 L C 1.610 178.592 176.870 0.186 0.000 1.098 253 L CA 0.377 55.356 54.840 0.233 0.000 0.840 253 L CB 0.039 42.158 42.059 0.101 0.000 0.981 253 L HN 0.633 nan 8.230 nan 0.000 0.462 254 G N -0.273 108.586 108.800 0.099 0.000 2.377 254 G HA2 0.455 4.424 3.960 0.016 0.000 0.299 254 G HA3 0.455 4.424 3.960 0.016 0.000 0.299 254 G C 0.093 175.030 174.900 0.062 0.000 1.150 254 G CA -0.212 44.933 45.100 0.075 0.000 0.847 254 G HN 0.094 nan 8.290 nan 0.000 0.501 255 G N -0.851 107.980 108.800 0.053 0.000 2.414 255 G HA2 0.494 4.464 3.960 0.016 0.000 0.236 255 G HA3 0.494 4.464 3.960 0.016 0.000 0.236 255 G C 1.217 176.135 174.900 0.029 0.000 1.293 255 G CA 0.736 45.858 45.100 0.036 0.000 0.869 255 G HN 1.969 nan 8.290 nan 0.000 0.556 256 G N 1.028 109.842 108.800 0.023 0.000 2.194 256 G HA2 -0.221 3.748 3.960 0.016 0.000 0.236 256 G HA3 -0.221 3.748 3.960 0.016 0.000 0.236 256 G C 0.222 175.134 174.900 0.020 0.000 0.987 256 G CA 0.343 45.455 45.100 0.020 0.000 0.635 256 G HN 0.772 nan 8.290 nan 0.000 0.520 257 E N 0.619 120.834 120.200 0.025 0.000 2.174 257 E HA 0.542 4.902 4.350 0.016 0.000 0.282 257 E C 0.513 177.129 176.600 0.026 0.000 0.992 257 E CA 0.123 56.537 56.400 0.022 0.000 0.803 257 E CB 1.493 31.204 29.700 0.018 0.000 1.090 257 E HN 0.445 nan 8.360 nan 0.000 0.396 258 G N 2.191 111.006 108.800 0.024 0.000 2.605 258 G HA2 0.615 4.584 3.960 0.016 0.000 0.296 258 G HA3 0.615 4.584 3.960 0.016 0.000 0.296 258 G C -1.064 173.857 174.900 0.035 0.000 1.304 258 G CA -0.733 44.385 45.100 0.030 0.000 0.941 258 G HN 0.400 nan 8.290 nan 0.000 0.475 259 K N -2.145 118.282 120.400 0.044 0.000 2.466 259 K HA 0.775 5.104 4.320 0.016 0.000 0.277 259 K C -1.513 175.113 176.600 0.043 0.000 1.039 259 K CA -0.909 55.413 56.287 0.059 0.000 0.904 259 K CB 1.728 34.267 32.500 0.065 0.000 1.506 259 K HN 0.886 nan 8.250 nan 0.000 0.441 260 C N 1.317 120.646 119.300 0.049 0.000 2.705 260 C HA 0.608 5.078 4.460 0.016 0.000 0.369 260 C C -1.234 173.692 174.990 -0.106 0.000 1.069 260 C CA -0.062 58.901 59.018 -0.092 0.000 1.260 260 C CB 0.557 28.175 27.740 -0.204 0.000 1.764 260 C HN 0.777 nan 8.230 nan 0.000 0.469 261 T N 5.755 120.256 114.554 -0.088 0.000 2.767 261 T HA 0.443 4.803 4.350 0.016 0.000 0.288 261 T C -1.039 173.615 174.700 -0.077 0.000 0.963 261 T CA 0.043 62.173 62.100 0.049 0.000 1.019 261 T CB 0.454 69.399 68.868 0.129 0.000 0.923 261 T HN 0.573 nan 8.240 nan 0.000 0.468 262 Y N 2.115 122.483 120.300 0.113 0.000 2.593 262 Y HA 0.568 5.128 4.550 0.016 0.000 0.331 262 Y C 0.918 176.858 175.900 0.065 0.000 0.986 262 Y CA -0.785 57.351 58.100 0.059 0.000 1.262 262 Y CB 0.725 39.172 38.460 -0.021 0.000 1.098 262 Y HN 0.876 nan 8.280 nan 0.000 0.506 263 G N 0.537 109.472 108.800 0.225 0.000 3.341 263 G HA2 0.131 4.100 3.960 0.016 0.000 0.177 263 G HA3 0.131 4.100 3.960 0.016 0.000 0.177 263 G C 0.883 175.920 174.900 0.229 0.000 1.236 263 G CA -0.133 45.103 45.100 0.228 0.000 0.888 263 G HN 0.346 nan 8.290 nan 0.000 0.644 264 T N 0.392 115.131 114.554 0.308 0.000 2.708 264 T HA 0.122 4.481 4.350 0.016 0.000 0.266 264 T C 1.346 176.239 174.700 0.322 0.000 1.037 264 T CA 1.378 63.669 62.100 0.317 0.000 1.146 264 T CB -0.483 68.636 68.868 0.418 0.000 0.865 264 T HN 0.649 nan 8.240 nan 0.000 0.435 265 G N -0.027 109.035 108.800 0.436 0.000 2.753 265 G HA2 0.678 4.647 3.960 0.016 0.000 0.285 265 G HA3 0.678 4.647 3.960 0.016 0.000 0.285 265 G C -1.438 173.444 174.900 -0.030 0.000 1.344 265 G CA -0.428 44.798 45.100 0.209 0.000 1.050 265 G HN 0.541 nan 8.290 nan 0.000 0.532 266 A N -0.829 121.680 122.820 -0.519 0.000 2.398 266 A HA 0.741 5.071 4.320 0.016 0.000 0.301 266 A C -1.767 175.305 177.584 -0.854 0.000 1.041 266 A CA -0.540 51.211 52.037 -0.478 0.000 0.711 266 A CB 0.981 19.733 19.000 -0.413 0.000 1.240 266 A HN 0.492 nan 8.150 nan 0.000 0.420 267 F N 1.811 121.636 119.950 -0.207 0.000 2.507 267 F HA 0.557 5.093 4.527 0.016 0.000 0.328 267 F C -0.179 175.537 175.800 -0.140 0.000 1.136 267 F CA -0.572 57.339 58.000 -0.149 0.000 0.930 267 F CB 1.915 40.858 39.000 -0.095 0.000 1.166 267 F HN 0.507 nan 8.300 nan 0.000 0.436 268 L N 4.281 125.499 121.223 -0.007 0.000 2.307 268 L HA 0.701 5.050 4.340 0.016 0.000 0.282 268 L C -1.358 175.543 176.870 0.052 0.000 1.051 268 L CA -0.683 54.150 54.840 -0.012 0.000 0.804 268 L CB 1.157 43.183 42.059 -0.055 0.000 1.197 268 L HN 0.546 nan 8.230 nan 0.000 0.431 269 L N 5.020 126.273 121.223 0.051 0.000 2.436 269 L HA 0.501 4.850 4.340 0.016 0.000 0.268 269 L C -1.212 175.680 176.870 0.038 0.000 0.974 269 L CA -0.181 54.692 54.840 0.055 0.000 0.826 269 L CB 1.961 44.059 42.059 0.066 0.000 1.291 269 L HN 0.399 nan 8.230 nan 0.000 0.406 270 L N 3.961 125.200 121.223 0.026 0.000 2.319 270 L HA 0.514 4.863 4.340 0.016 0.000 0.281 270 L C -0.163 176.707 176.870 0.000 0.000 1.005 270 L CA -0.147 54.704 54.840 0.018 0.000 0.828 270 L CB 1.243 43.313 42.059 0.019 0.000 1.227 270 L HN 0.561 nan 8.230 nan 0.000 0.415 271 N N 2.412 121.112 118.700 -0.001 0.000 2.434 271 N HA -0.025 4.724 4.740 0.016 0.000 0.268 271 N C 0.368 175.873 175.510 -0.009 0.000 1.256 271 N CA 0.839 53.872 53.050 -0.029 0.000 0.914 271 N CB 0.912 39.408 38.487 0.015 0.000 1.088 271 N HN 0.776 nan 8.380 nan 0.000 0.478 272 T N 0.959 115.505 114.554 -0.013 0.000 3.176 272 T HA 0.379 4.739 4.350 0.016 0.000 0.263 272 T C 1.043 175.762 174.700 0.032 0.000 1.021 272 T CA 0.124 62.233 62.100 0.015 0.000 0.905 272 T CB -0.217 68.664 68.868 0.021 0.000 1.057 272 T HN 0.660 nan 8.240 nan 0.000 0.558 273 G N 3.213 112.026 108.800 0.023 0.000 2.528 273 G HA2 -0.333 3.637 3.960 0.016 0.000 0.262 273 G HA3 -0.333 3.637 3.960 0.016 0.000 0.262 273 G C 0.670 175.630 174.900 0.099 0.000 1.200 273 G CA 0.044 45.172 45.100 0.048 0.000 0.951 273 G HN 0.687 nan 8.290 nan 0.000 0.566 274 K N 1.895 122.358 120.400 0.106 0.000 2.589 274 K HA 0.019 4.348 4.320 0.016 0.000 0.192 274 K C 0.993 177.715 176.600 0.203 0.000 1.029 274 K CA 1.598 57.973 56.287 0.147 0.000 1.031 274 K CB -0.284 32.271 32.500 0.091 0.000 0.821 274 K HN 1.151 nan 8.250 nan 0.000 0.502 275 R N -0.518 120.070 120.500 0.146 0.000 2.663 275 R HA 0.428 4.777 4.340 0.016 0.000 0.267 275 R C -3.200 172.841 176.300 -0.432 0.000 1.038 275 R CA -1.746 54.232 56.100 -0.204 0.000 0.886 275 R CB 0.904 31.119 30.300 -0.141 0.000 1.249 275 R HN -0.172 nan 8.270 nan 0.000 0.463 276 P HA 0.123 nan 4.420 nan 0.000 0.274 276 P C -0.461 176.697 177.300 -0.236 0.000 1.237 276 P CA -0.456 62.296 63.100 -0.580 0.000 0.793 276 P CB 1.124 32.378 31.700 -0.743 0.000 0.977 277 V N 3.592 123.434 119.914 -0.120 0.000 2.289 277 V HA 0.186 4.316 4.120 0.016 0.000 0.272 277 V C 0.481 176.548 176.094 -0.045 0.000 1.026 277 V CA -0.555 61.707 62.300 -0.065 0.000 0.807 277 V CB 0.700 32.504 31.823 -0.031 0.000 1.044 277 V HN 0.390 nan 8.190 nan 0.000 0.443 278 L N 3.558 124.754 121.223 -0.045 0.000 2.433 278 L HA 0.284 4.634 4.340 0.016 0.000 0.275 278 L C 0.739 177.598 176.870 -0.018 0.000 1.128 278 L CA 0.617 55.437 54.840 -0.033 0.000 0.875 278 L CB 0.881 42.925 42.059 -0.025 0.000 1.171 278 L HN 0.618 nan 8.230 nan 0.000 0.463 279 S N 2.568 118.262 115.700 -0.010 0.000 2.433 279 S HA 0.201 4.681 4.470 0.016 0.000 0.310 279 S C 0.796 175.399 174.600 0.006 0.000 1.097 279 S CA -0.787 57.417 58.200 0.007 0.000 1.103 279 S CB 1.056 64.273 63.200 0.027 0.000 0.992 279 S HN 0.758 nan 8.310 nan 0.000 0.469 280 E N 3.626 123.832 120.200 0.010 0.000 2.472 280 E HA 0.166 4.525 4.350 0.016 0.000 0.196 280 E C 0.706 177.327 176.600 0.035 0.000 1.033 280 E CA -0.020 56.387 56.400 0.011 0.000 0.886 280 E CB 0.006 29.712 29.700 0.009 0.000 0.944 280 E HN 0.535 nan 8.360 nan 0.000 0.492 281 K N 0.736 121.162 120.400 0.044 0.000 2.546 281 K HA 0.105 4.435 4.320 0.016 0.000 0.198 281 K C 0.417 177.071 176.600 0.090 0.000 1.028 281 K CA 0.465 56.788 56.287 0.060 0.000 1.150 281 K CB 0.383 32.911 32.500 0.046 0.000 0.876 281 K HN 0.376 nan 8.250 nan 0.000 0.508 282 G N 0.978 109.855 108.800 0.128 0.000 2.134 282 G HA2 -0.203 3.766 3.960 0.016 0.000 0.209 282 G HA3 -0.203 3.766 3.960 0.016 0.000 0.209 282 G C -0.163 174.953 174.900 0.361 0.000 0.993 282 G CA -0.438 44.824 45.100 0.269 0.000 0.669 282 G HN 0.167 nan 8.290 nan 0.000 0.519 283 L N -0.164 121.186 121.223 0.212 0.000 2.303 283 L HA 0.768 5.117 4.340 0.016 0.000 0.266 283 L C 0.709 177.681 176.870 0.170 0.000 1.011 283 L CA -1.350 53.618 54.840 0.214 0.000 0.818 283 L CB 1.718 43.847 42.059 0.118 0.000 1.326 283 L HN -0.014 nan 8.230 nan 0.000 0.435 284 L N 1.007 122.353 121.223 0.206 0.000 2.375 284 L HA 0.748 5.098 4.340 0.016 0.000 0.268 284 L C -0.029 176.893 176.870 0.088 0.000 1.058 284 L CA -0.691 54.237 54.840 0.147 0.000 0.803 284 L CB 1.562 43.782 42.059 0.267 0.000 1.212 284 L HN 0.659 nan 8.230 nan 0.000 0.451 285 A N 0.997 123.838 122.820 0.036 0.000 2.310 285 A HA 0.664 4.993 4.320 0.016 0.000 0.304 285 A C -0.429 177.182 177.584 0.044 0.000 1.231 285 A CA -0.309 51.742 52.037 0.024 0.000 0.799 285 A CB 1.360 20.340 19.000 -0.034 0.000 1.162 285 A HN 0.654 nan 8.150 nan 0.000 0.486 286 T N 0.694 115.296 114.554 0.080 0.000 2.858 286 T HA 0.574 4.934 4.350 0.016 0.000 0.285 286 T C -0.824 173.902 174.700 0.044 0.000 1.052 286 T CA -0.290 61.851 62.100 0.069 0.000 1.009 286 T CB 1.289 70.189 68.868 0.053 0.000 1.241 286 T HN 0.514 nan 8.240 nan 0.000 0.542 287 V N 2.905 122.782 119.914 -0.061 0.000 2.406 287 V HA 0.497 4.627 4.120 0.016 0.000 0.272 287 V C 1.330 177.245 176.094 -0.299 0.000 1.043 287 V CA 0.020 62.153 62.300 -0.278 0.000 0.915 287 V CB 0.644 32.331 31.823 -0.228 0.000 0.988 287 V HN 1.075 nan 8.190 nan 0.000 0.466 288 A N 5.252 127.759 122.820 -0.522 0.000 1.873 288 A HA 0.131 4.460 4.320 0.016 0.000 0.215 288 A C 0.535 177.880 177.584 -0.399 0.000 1.186 288 A CA 1.735 53.368 52.037 -0.674 0.000 0.616 288 A CB -0.086 18.045 19.000 -1.449 0.000 0.823 288 A HN 1.201 nan 8.150 nan 0.000 0.442 289 W N -4.480 116.717 121.300 -0.172 0.000 3.079 289 W HA 0.562 5.231 4.660 0.015 0.000 0.329 289 W C -0.944 175.461 176.519 -0.191 0.000 1.181 289 W CA -0.343 56.885 57.345 -0.194 0.000 1.160 289 W CB 0.137 29.441 29.460 -0.260 0.000 1.423 289 W HN 0.112 nan 8.180 nan 0.000 0.566 290 S N 1.632 117.407 115.700 0.124 0.000 2.640 290 S HA 0.646 5.125 4.470 0.016 0.000 0.320 290 S C -1.204 173.448 174.600 0.086 0.000 1.097 290 S CA -0.606 57.630 58.200 0.059 0.000 1.092 290 S CB 0.013 63.215 63.200 0.004 0.000 0.988 290 S HN 0.549 nan 8.310 nan 0.000 0.470 291 L N 4.992 126.283 121.223 0.113 0.000 2.270 291 L HA 0.435 4.785 4.340 0.016 0.000 0.286 291 L C 1.503 178.399 176.870 0.043 0.000 1.059 291 L CA -0.149 54.729 54.840 0.062 0.000 0.839 291 L CB 0.536 42.644 42.059 0.082 0.000 1.221 291 L HN 1.061 nan 8.230 nan 0.000 0.431 292 G N 2.315 111.131 108.800 0.026 0.000 2.205 292 G HA2 -0.290 3.680 3.960 0.016 0.000 0.269 292 G HA3 -0.290 3.680 3.960 0.016 0.000 0.269 292 G C 0.843 175.753 174.900 0.016 0.000 0.977 292 G CA 0.535 45.646 45.100 0.017 0.000 0.652 292 G HN 1.091 nan 8.290 nan 0.000 0.539 293 G N -1.286 107.527 108.800 0.022 0.000 3.288 293 G HA2 -0.082 3.887 3.960 0.016 0.000 0.195 293 G HA3 -0.082 3.887 3.960 0.016 0.000 0.195 293 G C 0.380 175.294 174.900 0.023 0.000 1.093 293 G CA 0.655 45.766 45.100 0.018 0.000 0.852 293 G HN 0.852 nan 8.290 nan 0.000 0.453 294 R N 2.113 122.633 120.500 0.034 0.000 2.446 294 R HA 0.514 4.863 4.340 0.016 0.000 0.314 294 R C 0.316 176.630 176.300 0.024 0.000 1.003 294 R CA 0.821 56.946 56.100 0.041 0.000 1.018 294 R CB 0.192 30.527 30.300 0.058 0.000 0.945 294 R HN 0.569 nan 8.270 nan 0.000 0.419 295 A N 3.670 126.474 122.820 -0.026 0.000 2.282 295 A HA 0.555 4.885 4.320 0.016 0.000 0.319 295 A C -0.489 176.921 177.584 -0.290 0.000 1.121 295 A CA -0.407 51.514 52.037 -0.193 0.000 0.836 295 A CB 1.444 20.253 19.000 -0.319 0.000 1.146 295 A HN 0.685 nan 8.150 nan 0.000 0.494 296 T N 0.669 114.891 114.554 -0.553 0.000 2.893 296 T HA 0.622 4.981 4.350 0.016 0.000 0.291 296 T C -1.300 172.907 174.700 -0.820 0.000 1.028 296 T CA 0.059 61.830 62.100 -0.548 0.000 0.995 296 T CB 0.761 69.215 68.868 -0.689 0.000 1.051 296 T HN 0.441 nan 8.240 nan 0.000 0.470 297 Y N 0.323 120.454 120.300 -0.280 0.000 2.587 297 Y HA 0.775 5.335 4.550 0.016 0.000 0.337 297 Y C 0.225 175.989 175.900 -0.227 0.000 1.065 297 Y CA -1.035 56.928 58.100 -0.228 0.000 1.126 297 Y CB 1.852 40.229 38.460 -0.138 0.000 1.279 297 Y HN 0.840 nan 8.280 nan 0.000 0.489 298 A N 1.286 124.104 122.820 -0.004 0.000 2.572 298 A HA 0.744 5.073 4.320 0.016 0.000 0.295 298 A C -1.970 175.630 177.584 0.028 0.000 1.072 298 A CA -0.741 51.279 52.037 -0.028 0.000 0.691 298 A CB 1.253 20.198 19.000 -0.091 0.000 1.291 298 A HN 0.709 nan 8.150 nan 0.000 0.404 299 L N 1.216 122.457 121.223 0.031 0.000 2.307 299 L HA 0.591 4.941 4.340 0.016 0.000 0.282 299 L C 0.327 177.239 176.870 0.069 0.000 1.051 299 L CA -0.221 54.649 54.840 0.050 0.000 0.804 299 L CB 1.618 43.700 42.059 0.039 0.000 1.197 299 L HN 0.911 nan 8.230 nan 0.000 0.431 300 E N 0.986 121.252 120.200 0.110 0.000 2.359 300 E HA 0.673 5.033 4.350 0.016 0.000 0.266 300 E C -1.014 175.682 176.600 0.161 0.000 0.920 300 E CA -0.832 55.653 56.400 0.142 0.000 0.788 300 E CB 2.478 32.298 29.700 0.200 0.000 1.279 300 E HN 0.659 nan 8.360 nan 0.000 0.438 301 G N 0.955 109.824 108.800 0.115 0.000 2.737 301 G HA2 0.405 4.375 3.960 0.016 0.000 0.290 301 G HA3 0.405 4.375 3.960 0.016 0.000 0.290 301 G C -1.233 173.627 174.900 -0.068 0.000 1.482 301 G CA -0.417 44.697 45.100 0.024 0.000 1.017 301 G HN 0.291 nan 8.290 nan 0.000 0.529 302 S N 1.810 117.414 115.700 -0.160 0.000 2.433 302 S HA 0.557 5.036 4.470 0.016 0.000 0.310 302 S C -0.113 173.955 174.600 -0.886 0.000 1.097 302 S CA -0.527 57.420 58.200 -0.421 0.000 1.103 302 S CB 1.004 64.120 63.200 -0.139 0.000 0.992 302 S HN 0.475 nan 8.310 nan 0.000 0.469 303 L N 3.825 124.475 121.223 -0.956 0.000 2.319 303 L HA 0.458 4.808 4.340 0.016 0.000 0.281 303 L C -0.008 176.494 176.870 -0.613 0.000 1.005 303 L CA -0.683 53.687 54.840 -0.784 0.000 0.828 303 L CB 0.730 42.481 42.059 -0.514 0.000 1.227 303 L HN 0.575 nan 8.230 nan 0.000 0.415 304 F N 1.949 121.735 119.950 -0.274 0.000 2.365 304 F HA 0.009 4.546 4.527 0.017 0.000 0.300 304 F C 0.988 176.832 175.800 0.073 0.000 1.090 304 F CA 0.228 58.254 58.000 0.043 0.000 1.408 304 F CB -0.078 38.955 39.000 0.056 0.000 1.060 304 F HN 0.112 nan 8.300 nan 0.000 0.534 305 V N -0.383 119.573 119.914 0.069 0.000 2.447 305 V HA 0.710 4.840 4.120 0.016 0.000 0.292 305 V C 0.151 176.205 176.094 -0.067 0.000 1.021 305 V CA -0.217 62.090 62.300 0.012 0.000 0.850 305 V CB 0.922 32.650 31.823 -0.158 0.000 1.005 305 V HN 0.132 nan 8.190 nan 0.000 0.426 306 A N 4.031 126.855 122.820 0.005 0.000 1.949 306 A HA 0.571 4.900 4.320 0.016 0.000 0.200 306 A C 1.942 179.526 177.584 -0.001 0.000 2.254 306 A CA 0.885 52.915 52.037 -0.011 0.000 1.206 306 A CB -0.888 18.131 19.000 0.032 0.000 1.110 306 A HN 0.867 nan 8.150 nan 0.000 0.628 307 G N 0.247 109.077 108.800 0.050 0.000 2.459 307 G HA2 -0.026 3.944 3.960 0.016 0.000 0.217 307 G HA3 -0.026 3.944 3.960 0.016 0.000 0.217 307 G C 1.718 176.682 174.900 0.107 0.000 1.183 307 G CA 2.055 47.184 45.100 0.049 0.000 0.776 307 G HN 1.139 nan 8.290 nan 0.000 0.552 308 A N 1.084 124.007 122.820 0.171 0.000 2.054 308 A HA 0.048 4.377 4.320 0.016 0.000 0.223 308 A C 2.764 180.578 177.584 0.384 0.000 1.169 308 A CA 2.499 54.700 52.037 0.274 0.000 0.655 308 A CB -0.733 18.462 19.000 0.324 0.000 0.812 308 A HN 0.985 nan 8.150 nan 0.000 0.462 309 A N -0.781 122.172 122.820 0.222 0.000 1.883 309 A HA -0.032 4.298 4.320 0.016 0.000 0.217 309 A C 2.226 180.041 177.584 0.385 0.000 1.186 309 A CA 1.938 54.109 52.037 0.223 0.000 0.624 309 A CB -0.842 18.072 19.000 -0.144 0.000 0.822 309 A HN 0.474 nan 8.150 nan 0.000 0.444 310 V N -0.265 119.779 119.914 0.217 0.000 2.453 310 V HA -0.090 4.040 4.120 0.016 0.000 0.247 310 V C 2.810 179.017 176.094 0.188 0.000 1.048 310 V CA 1.616 64.027 62.300 0.186 0.000 1.049 310 V CB -1.405 30.462 31.823 0.072 0.000 0.672 310 V HN 0.608 nan 8.190 nan 0.000 0.457 311 G N -0.955 107.960 108.800 0.193 0.000 2.446 311 G HA2 -0.345 3.624 3.960 0.016 0.000 0.217 311 G HA3 -0.345 3.624 3.960 0.016 0.000 0.217 311 G C 1.349 176.351 174.900 0.170 0.000 1.168 311 G CA 0.970 46.165 45.100 0.158 0.000 0.771 311 G HN 0.622 nan 8.290 nan 0.000 0.551 312 W N 1.230 122.607 121.300 0.128 0.000 2.335 312 W HA -0.018 4.651 4.660 0.015 0.000 0.311 312 W C 2.353 178.916 176.519 0.073 0.000 1.213 312 W CA 1.334 58.720 57.345 0.067 0.000 1.274 312 W CB -0.475 29.058 29.460 0.121 0.000 1.148 312 W HN 0.131 nan 8.180 nan 0.000 0.498 313 L N 0.978 122.231 121.223 0.050 0.000 2.081 313 L HA -0.285 4.064 4.340 0.016 0.000 0.212 313 L C 2.837 179.567 176.870 -0.234 0.000 1.080 313 L CA 1.746 56.481 54.840 -0.175 0.000 0.754 313 L CB -0.974 41.148 42.059 0.104 0.000 0.893 313 L HN -0.022 nan 8.230 nan 0.000 0.433 314 K N 0.774 121.104 120.400 -0.116 0.000 2.001 314 K HA -0.190 4.139 4.320 0.016 0.000 0.208 314 K C 1.804 178.302 176.600 -0.169 0.000 1.048 314 K CA 1.654 57.879 56.287 -0.103 0.000 0.932 314 K CB -0.100 32.379 32.500 -0.034 0.000 0.715 314 K HN 0.383 nan 8.250 nan 0.000 0.437 315 E N 0.474 120.548 120.200 -0.210 0.000 2.058 315 E HA -0.154 4.205 4.350 0.016 0.000 0.194 315 E C 1.681 178.093 176.600 -0.312 0.000 0.997 315 E CA 1.727 57.991 56.400 -0.226 0.000 0.801 315 E CB -0.068 29.513 29.700 -0.199 0.000 0.746 315 E HN 0.309 nan 8.360 nan 0.000 0.450 316 V N -2.089 117.500 119.914 -0.542 0.000 3.630 316 V HA 0.274 4.404 4.120 0.016 0.000 0.273 316 V C 1.215 177.114 176.094 -0.325 0.000 1.248 316 V CA 0.569 62.576 62.300 -0.489 0.000 1.170 316 V CB -0.643 30.710 31.823 -0.784 0.000 0.899 316 V HN 0.339 nan 8.190 nan 0.000 0.457 317 G N 0.633 109.277 108.800 -0.260 0.000 2.179 317 G HA2 -0.293 3.677 3.960 0.016 0.000 0.257 317 G HA3 -0.293 3.677 3.960 0.016 0.000 0.257 317 G C 0.457 175.267 174.900 -0.150 0.000 1.010 317 G CA 0.693 45.692 45.100 -0.169 0.000 0.736 317 G HN 0.561 nan 8.290 nan 0.000 0.513 318 L N -0.471 120.642 121.223 -0.183 0.000 2.395 318 L HA 0.341 4.691 4.340 0.016 0.000 0.218 318 L C 1.867 178.695 176.870 -0.071 0.000 1.130 318 L CA 1.266 56.033 54.840 -0.122 0.000 0.826 318 L CB -0.174 41.807 42.059 -0.131 0.000 0.941 318 L HN 0.694 nan 8.230 nan 0.000 0.451 319 I N -6.165 114.362 120.570 -0.071 0.000 3.580 319 I HA 0.419 4.598 4.170 0.016 0.000 0.296 319 I C 0.405 176.494 176.117 -0.048 0.000 1.146 319 I CA -0.962 60.313 61.300 -0.041 0.000 1.051 319 I CB 1.511 39.500 38.000 -0.017 0.000 1.364 319 I HN -0.378 nan 8.210 nan 0.000 0.482 320 R N 0.215 120.695 120.500 -0.033 0.000 2.541 320 R HA 0.462 4.812 4.340 0.016 0.000 0.332 320 R C -1.070 175.215 176.300 -0.026 0.000 0.951 320 R CA -0.002 56.078 56.100 -0.034 0.000 1.136 320 R CB 0.484 30.766 30.300 -0.029 0.000 1.449 320 R HN 0.813 nan 8.270 nan 0.000 0.531 321 E N -1.720 118.468 120.200 -0.019 0.000 2.650 321 E HA -0.024 4.336 4.350 0.016 0.000 0.297 321 E C 0.333 176.930 176.600 -0.004 0.000 1.131 321 E CA 0.230 56.623 56.400 -0.012 0.000 0.913 321 E CB 0.529 30.223 29.700 -0.010 0.000 1.181 321 E HN -0.047 nan 8.360 nan 0.000 0.440 322 S N 1.458 117.159 115.700 0.001 0.000 2.461 322 S HA -0.279 4.200 4.470 0.016 0.000 0.246 322 S C 1.629 176.229 174.600 -0.001 0.000 1.007 322 S CA 1.653 59.856 58.200 0.005 0.000 0.976 322 S CB -0.259 62.945 63.200 0.008 0.000 0.763 322 S HN 0.572 nan 8.310 nan 0.000 0.508 323 A N 1.794 124.613 122.820 -0.002 0.000 1.855 323 A HA 0.077 4.407 4.320 0.016 0.000 0.213 323 A C 2.169 179.753 177.584 0.000 0.000 1.195 323 A CA 1.022 53.058 52.037 -0.001 0.000 0.610 323 A CB -0.777 18.223 19.000 -0.000 0.000 0.837 323 A HN 0.447 nan 8.150 nan 0.000 0.444 324 E N 0.455 120.655 120.200 -0.001 0.000 2.339 324 E HA -0.161 4.199 4.350 0.016 0.000 0.201 324 E C 1.974 178.576 176.600 0.004 0.000 1.015 324 E CA 1.205 57.604 56.400 -0.001 0.000 0.841 324 E CB -0.351 29.345 29.700 -0.006 0.000 0.754 324 E HN 0.395 nan 8.360 nan 0.000 0.508 325 V N 0.763 120.682 119.914 0.008 0.000 2.282 325 V HA -0.296 3.833 4.120 0.016 0.000 0.249 325 V C 2.456 178.561 176.094 0.018 0.000 1.057 325 V CA 2.359 64.670 62.300 0.018 0.000 1.032 325 V CB -0.615 31.220 31.823 0.019 0.000 0.645 325 V HN 0.329 nan 8.190 nan 0.000 0.447 326 E N 0.488 120.696 120.200 0.013 0.000 2.012 326 E HA -0.256 4.104 4.350 0.016 0.000 0.197 326 E C 2.288 178.896 176.600 0.012 0.000 1.007 326 E CA 1.524 57.934 56.400 0.016 0.000 0.816 326 E CB -0.344 29.365 29.700 0.015 0.000 0.762 326 E HN 0.514 nan 8.360 nan 0.000 0.451 327 A N 1.217 124.042 122.820 0.008 0.000 1.948 327 A HA -0.202 4.128 4.320 0.016 0.000 0.220 327 A C 2.263 179.846 177.584 -0.001 0.000 1.177 327 A CA 1.345 53.384 52.037 0.003 0.000 0.636 327 A CB -0.726 18.275 19.000 0.001 0.000 0.815 327 A HN 0.409 nan 8.150 nan 0.000 0.449 328 L N -1.210 120.013 121.223 0.000 0.000 2.027 328 L HA -0.149 4.200 4.340 0.016 0.000 0.206 328 L C 3.024 179.893 176.870 -0.002 0.000 1.074 328 L CA 1.195 56.032 54.840 -0.005 0.000 0.745 328 L CB -0.383 41.677 42.059 0.001 0.000 0.898 328 L HN 0.443 nan 8.230 nan 0.000 0.433 329 A N -0.667 122.162 122.820 0.015 0.000 2.014 329 A HA -0.062 4.268 4.320 0.016 0.000 0.218 329 A C 2.378 179.971 177.584 0.015 0.000 1.163 329 A CA 1.255 53.307 52.037 0.024 0.000 0.652 329 A CB -0.528 18.496 19.000 0.040 0.000 0.808 329 A HN 0.455 nan 8.150 nan 0.000 0.449 330 A N 0.555 123.380 122.820 0.009 0.000 1.972 330 A HA -0.082 4.248 4.320 0.016 0.000 0.219 330 A C 2.343 179.928 177.584 0.001 0.000 1.169 330 A CA 1.956 53.996 52.037 0.006 0.000 0.635 330 A CB -0.946 18.058 19.000 0.008 0.000 0.810 330 A HN 1.068 nan 8.150 nan 0.000 0.446 331 S N -0.811 114.883 115.700 -0.010 0.000 2.584 331 S HA 0.148 4.627 4.470 0.016 0.000 0.240 331 S C 0.514 175.098 174.600 -0.027 0.000 0.975 331 S CA 0.689 58.875 58.200 -0.023 0.000 0.949 331 S CB -1.408 61.768 63.200 -0.040 0.000 0.761 331 S HN 1.226 nan 8.310 nan 0.000 0.536 332 V N -3.285 116.624 119.914 -0.008 0.000 3.049 332 V HA 0.580 4.709 4.120 0.016 0.000 0.309 332 V C 0.309 176.431 176.094 0.046 0.000 1.148 332 V CA -1.060 61.252 62.300 0.020 0.000 0.990 332 V CB 1.765 33.606 31.823 0.029 0.000 1.039 332 V HN 0.104 nan 8.190 nan 0.000 0.430 333 E N 1.299 121.535 120.200 0.061 0.000 2.140 333 E HA 0.113 4.472 4.350 0.016 0.000 0.191 333 E C -0.260 176.373 176.600 0.054 0.000 0.973 333 E CA 1.286 57.715 56.400 0.048 0.000 0.829 333 E CB 0.277 30.002 29.700 0.043 0.000 0.781 333 E HN 1.016 nan 8.360 nan 0.000 0.466 334 D N -1.506 118.943 120.400 0.082 0.000 2.531 334 D HA 0.067 4.717 4.640 0.016 0.000 0.244 334 D C 0.534 176.874 176.300 0.067 0.000 1.090 334 D CA -0.571 53.461 54.000 0.054 0.000 0.989 334 D CB 0.974 41.792 40.800 0.029 0.000 1.433 334 D HN -0.135 nan 8.370 nan 0.000 0.492 335 T N -3.824 110.704 114.554 -0.043 0.000 3.067 335 T HA 0.342 4.702 4.350 0.016 0.000 0.261 335 T C 1.580 176.030 174.700 -0.416 0.000 1.110 335 T CA 0.368 62.395 62.100 -0.123 0.000 1.113 335 T CB -0.438 68.329 68.868 -0.169 0.000 0.917 335 T HN 1.422 nan 8.240 nan 0.000 0.499 336 G N 1.888 110.494 108.800 -0.323 0.000 2.140 336 G HA2 -0.165 3.804 3.960 0.016 0.000 0.211 336 G HA3 -0.165 3.804 3.960 0.016 0.000 0.211 336 G C 0.164 174.973 174.900 -0.152 0.000 1.013 336 G CA 0.415 45.323 45.100 -0.321 0.000 0.705 336 G HN 0.893 nan 8.290 nan 0.000 0.508 337 D N -2.611 117.737 120.400 -0.087 0.000 3.068 337 D HA -0.172 4.478 4.640 0.016 0.000 0.218 337 D C 0.216 176.553 176.300 0.063 0.000 1.145 337 D CA 1.346 55.383 54.000 0.060 0.000 0.896 337 D CB -1.325 39.525 40.800 0.082 0.000 1.105 337 D HN 1.144 nan 8.370 nan 0.000 0.423 338 V N 1.421 121.253 119.914 -0.136 0.000 2.427 338 V HA 0.555 4.685 4.120 0.016 0.000 0.286 338 V C 0.083 176.019 176.094 -0.263 0.000 1.034 338 V CA -0.375 61.878 62.300 -0.077 0.000 0.893 338 V CB 1.204 32.979 31.823 -0.081 0.000 0.982 338 V HN 0.127 nan 8.190 nan 0.000 0.452 339 Y N 3.658 124.030 120.300 0.120 0.000 2.485 339 Y HA 0.567 5.127 4.550 0.016 0.000 0.345 339 Y C -0.427 175.651 175.900 0.296 0.000 0.998 339 Y CA -0.777 57.455 58.100 0.220 0.000 1.059 339 Y CB 2.190 40.753 38.460 0.173 0.000 1.234 339 Y HN 0.593 nan 8.280 nan 0.000 0.461 340 F N 3.460 123.589 119.950 0.299 0.000 2.499 340 F HA 0.615 5.151 4.527 0.016 0.000 0.333 340 F C -1.435 174.553 175.800 0.312 0.000 1.138 340 F CA -1.108 57.024 58.000 0.220 0.000 0.945 340 F CB 0.873 39.976 39.000 0.171 0.000 1.181 340 F HN 0.174 nan 8.300 nan 0.000 0.435 341 V N 7.596 127.836 119.914 0.542 0.000 2.277 341 V HA 0.231 4.361 4.120 0.016 0.000 0.269 341 V C -2.002 174.104 176.094 0.020 0.000 1.036 341 V CA -1.475 60.970 62.300 0.240 0.000 0.821 341 V CB 0.856 32.657 31.823 -0.036 0.000 1.052 341 V HN 0.528 nan 8.190 nan 0.000 0.462 342 P HA 0.208 nan 4.420 nan 0.000 0.230 342 P C 0.144 177.026 177.300 -0.697 0.000 1.791 342 P CA 0.079 62.714 63.100 -0.775 0.000 1.020 342 P CB 0.542 31.645 31.700 -0.995 0.000 1.977 343 A N 1.417 123.968 122.820 -0.449 0.000 3.213 343 A HA 0.322 4.651 4.320 0.016 0.000 0.308 343 A C 0.912 178.418 177.584 -0.131 0.000 1.177 343 A CA -0.558 51.326 52.037 -0.256 0.000 1.010 343 A CB -0.911 18.020 19.000 -0.115 0.000 1.092 343 A HN 0.062 nan 8.150 nan 0.000 0.583 344 F N 0.743 120.667 119.950 -0.043 0.000 2.111 344 F HA -0.215 4.322 4.527 0.016 0.000 0.300 344 F C 2.445 178.230 175.800 -0.025 0.000 1.088 344 F CA 2.165 60.120 58.000 -0.074 0.000 1.243 344 F CB -1.131 37.799 39.000 -0.116 0.000 0.996 344 F HN 0.466 nan 8.300 nan 0.000 0.483 345 T N -2.364 112.294 114.554 0.172 0.000 3.214 345 T HA 0.619 4.978 4.350 0.016 0.000 0.264 345 T C 0.618 175.387 174.700 0.114 0.000 1.012 345 T CA 0.107 62.264 62.100 0.096 0.000 0.901 345 T CB -0.246 68.627 68.868 0.008 0.000 1.070 345 T HN 0.641 nan 8.240 nan 0.000 0.561 346 G N 1.099 109.979 108.800 0.133 0.000 2.592 346 G HA2 0.021 3.990 3.960 0.016 0.000 0.684 346 G HA3 0.021 3.990 3.960 0.016 0.000 0.684 346 G C -1.243 173.747 174.900 0.150 0.000 1.291 346 G CA -0.993 44.194 45.100 0.143 0.000 0.891 346 G HN 0.507 nan 8.290 nan 0.000 0.544 347 L N 1.319 122.579 121.223 0.062 0.000 2.309 347 L HA 0.621 4.970 4.340 0.016 0.000 0.282 347 L C 1.707 178.313 176.870 -0.440 0.000 1.036 347 L CA -0.085 54.688 54.840 -0.112 0.000 0.806 347 L CB 1.391 43.433 42.059 -0.028 0.000 1.220 347 L HN 1.032 nan 8.230 nan 0.000 0.429 348 G N 1.957 110.164 108.800 -0.989 0.000 3.078 348 G HA2 0.376 4.346 3.960 0.016 0.000 0.163 348 G HA3 0.376 4.346 3.960 0.016 0.000 0.163 348 G C -0.036 173.799 174.900 -1.775 0.000 1.894 348 G CA 0.387 44.398 45.100 -1.816 0.000 0.951 348 G HN 0.682 nan 8.290 nan 0.000 0.446 349 A N -0.037 121.947 122.820 -1.393 0.000 2.294 349 A HA 0.686 5.016 4.320 0.016 0.000 0.330 349 A C -2.102 175.069 177.584 -0.688 0.000 1.133 349 A CA -1.278 50.180 52.037 -0.965 0.000 0.836 349 A CB 1.461 20.231 19.000 -0.384 0.000 1.190 349 A HN 0.329 nan 8.150 nan 0.000 0.492 350 P HA 0.208 nan 4.420 nan 0.000 0.248 350 P C -0.446 176.672 177.300 -0.303 0.000 1.708 350 P CA 0.257 63.127 63.100 -0.383 0.000 1.062 350 P CB -0.191 31.383 31.700 -0.211 0.000 1.562 351 Y N -1.986 118.217 120.300 -0.162 0.000 2.343 351 Y HA 0.157 4.717 4.550 0.016 0.000 0.294 351 Y C 0.705 176.693 175.900 0.147 0.000 1.122 351 Y CA -0.186 57.901 58.100 -0.021 0.000 1.173 351 Y CB -1.030 37.370 38.460 -0.099 0.000 1.077 351 Y HN -0.100 nan 8.280 nan 0.000 0.542 352 W N 1.941 123.328 121.300 0.146 0.000 6.562 352 W HA -0.231 4.438 4.660 0.015 0.000 0.418 352 W C -0.596 176.023 176.519 0.166 0.000 1.645 352 W CA 0.533 57.958 57.345 0.133 0.000 1.086 352 W CB -1.152 28.387 29.460 0.132 0.000 2.865 352 W HN 0.093 nan 8.180 nan 0.000 1.517 353 D N -0.152 120.421 120.400 0.289 0.000 2.464 353 D HA 0.313 4.963 4.640 0.016 0.000 0.243 353 D C -1.228 175.174 176.300 0.171 0.000 1.104 353 D CA -2.443 51.705 54.000 0.247 0.000 0.883 353 D CB 1.358 42.269 40.800 0.186 0.000 1.050 353 D HN -0.179 nan 8.370 nan 0.000 0.524 354 P HA -0.140 nan 4.420 nan 0.000 0.218 354 P C 0.542 177.691 177.300 -0.253 0.000 1.146 354 P CA 1.065 64.090 63.100 -0.125 0.000 0.813 354 P CB 0.030 31.526 31.700 -0.341 0.000 0.778 355 Y N -0.777 119.600 120.300 0.129 0.000 2.475 355 Y HA 0.217 4.777 4.550 0.016 0.000 0.289 355 Y C 1.637 177.616 175.900 0.132 0.000 1.121 355 Y CA -0.213 57.955 58.100 0.113 0.000 1.257 355 Y CB -1.145 37.364 38.460 0.083 0.000 1.026 355 Y HN -0.155 nan 8.280 nan 0.000 0.555 356 A N 1.264 124.205 122.820 0.203 0.000 2.448 356 A HA 0.434 4.764 4.320 0.016 0.000 0.239 356 A C 0.451 178.115 177.584 0.134 0.000 1.080 356 A CA -0.108 52.013 52.037 0.139 0.000 0.779 356 A CB 0.325 19.341 19.000 0.026 0.000 1.026 356 A HN 0.183 nan 8.150 nan 0.000 0.499 357 R N -0.205 120.354 120.500 0.098 0.000 2.855 357 R HA 0.473 4.823 4.340 0.016 0.000 0.266 357 R C 0.198 176.481 176.300 -0.028 0.000 1.034 357 R CA -0.191 55.946 56.100 0.061 0.000 0.944 357 R CB 1.280 31.635 30.300 0.092 0.000 1.219 357 R HN 0.971 nan 8.270 nan 0.000 0.474 358 G N 0.774 109.584 108.800 0.017 0.000 2.313 358 G HA2 0.250 4.220 3.960 0.016 0.000 0.250 358 G HA3 0.250 4.220 3.960 0.016 0.000 0.250 358 G C -0.649 174.218 174.900 -0.054 0.000 1.281 358 G CA 0.497 45.615 45.100 0.030 0.000 0.917 358 G HN 0.316 nan 8.290 nan 0.000 0.501 359 T N 2.480 117.034 114.554 -0.001 0.000 2.881 359 T HA 0.414 4.774 4.350 0.016 0.000 0.290 359 T C -0.724 173.980 174.700 0.007 0.000 1.000 359 T CA -0.491 61.564 62.100 -0.076 0.000 0.978 359 T CB 1.799 70.595 68.868 -0.121 0.000 0.997 359 T HN 0.270 nan 8.240 nan 0.000 0.443 360 L N 3.664 124.835 121.223 -0.087 0.000 2.296 360 L HA 0.659 5.009 4.340 0.016 0.000 0.286 360 L C -1.042 175.815 176.870 -0.022 0.000 1.023 360 L CA -0.386 54.414 54.840 -0.067 0.000 0.812 360 L CB 1.036 42.992 42.059 -0.171 0.000 1.223 360 L HN 0.569 nan 8.230 nan 0.000 0.421 361 L N 3.208 124.464 121.223 0.055 0.000 2.354 361 L HA 0.709 5.058 4.340 0.016 0.000 0.269 361 L C 0.829 177.753 176.870 0.089 0.000 1.005 361 L CA -0.605 54.268 54.840 0.055 0.000 0.819 361 L CB 1.979 44.075 42.059 0.062 0.000 1.311 361 L HN 0.706 nan 8.230 nan 0.000 0.423 362 G N 2.138 110.969 108.800 0.052 0.000 2.137 362 G HA2 -0.209 3.761 3.960 0.016 0.000 0.237 362 G HA3 -0.209 3.761 3.960 0.016 0.000 0.237 362 G C -0.094 174.815 174.900 0.016 0.000 1.002 362 G CA -0.432 44.697 45.100 0.049 0.000 0.702 362 G HN 0.371 nan 8.290 nan 0.000 0.515 363 L N 1.153 122.379 121.223 0.005 0.000 2.426 363 L HA 0.559 4.908 4.340 0.016 0.000 0.271 363 L C 1.229 178.099 176.870 -0.000 0.000 1.169 363 L CA 0.760 55.599 54.840 -0.002 0.000 0.836 363 L CB 0.793 42.848 42.059 -0.006 0.000 1.112 363 L HN 0.500 nan 8.230 nan 0.000 0.465 364 T N -1.492 113.063 114.554 0.002 0.000 2.838 364 T HA 0.300 4.660 4.350 0.016 0.000 0.292 364 T C 0.728 175.436 174.700 0.014 0.000 1.113 364 T CA -0.934 61.170 62.100 0.006 0.000 1.008 364 T CB 1.928 70.797 68.868 0.001 0.000 1.259 364 T HN 0.580 nan 8.240 nan 0.000 0.520 365 R N 0.283 120.791 120.500 0.015 0.000 2.113 365 R HA -0.089 4.261 4.340 0.016 0.000 0.244 365 R C 1.928 178.245 176.300 0.028 0.000 1.142 365 R CA 2.179 58.290 56.100 0.018 0.000 0.953 365 R CB -1.068 29.241 30.300 0.015 0.000 0.860 365 R HN 0.853 nan 8.270 nan 0.000 0.438 366 G N -0.045 108.778 108.800 0.039 0.000 3.383 366 G HA2 0.032 4.001 3.960 0.016 0.000 0.251 366 G HA3 0.032 4.001 3.960 0.016 0.000 0.251 366 G C -0.334 174.635 174.900 0.116 0.000 1.203 366 G CA -0.256 44.881 45.100 0.062 0.000 0.852 366 G HN 0.187 nan 8.290 nan 0.000 0.531 367 T N 1.737 116.353 114.554 0.104 0.000 2.799 367 T HA 0.368 4.728 4.350 0.016 0.000 0.296 367 T C 0.926 175.730 174.700 0.174 0.000 0.947 367 T CA 0.041 62.250 62.100 0.181 0.000 1.141 367 T CB 1.039 69.955 68.868 0.080 0.000 0.891 367 T HN 0.392 nan 8.240 nan 0.000 0.533 368 S N 3.661 119.504 115.700 0.238 0.000 2.738 368 S HA 0.409 4.889 4.470 0.016 0.000 0.284 368 S C 1.271 175.882 174.600 0.018 0.000 1.146 368 S CA -1.077 57.137 58.200 0.023 0.000 0.997 368 S CB 1.200 64.305 63.200 -0.158 0.000 1.081 368 S HN 0.664 nan 8.310 nan 0.000 0.553 369 R N 0.075 120.561 120.500 -0.023 0.000 2.115 369 R HA 0.028 4.378 4.340 0.016 0.000 0.230 369 R C 2.497 178.796 176.300 -0.002 0.000 1.111 369 R CA 1.248 57.343 56.100 -0.008 0.000 0.976 369 R CB -0.933 29.353 30.300 -0.024 0.000 0.870 369 R HN 0.767 nan 8.270 nan 0.000 0.445 370 A N 0.523 123.306 122.820 -0.062 0.000 1.898 370 A HA -0.186 4.144 4.320 0.016 0.000 0.216 370 A C 1.671 179.265 177.584 0.016 0.000 1.181 370 A CA 1.398 53.399 52.037 -0.061 0.000 0.620 370 A CB -0.722 18.189 19.000 -0.149 0.000 0.819 370 A HN 0.405 nan 8.150 nan 0.000 0.442 371 H N -0.499 118.582 119.070 0.019 0.000 2.352 371 H HA -0.046 4.519 4.556 0.016 0.000 0.299 371 H C 1.932 177.283 175.328 0.039 0.000 1.097 371 H CA 1.373 57.432 56.048 0.019 0.000 1.311 371 H CB -0.102 29.665 29.762 0.009 0.000 1.377 371 H HN 0.367 nan 8.280 nan 0.000 0.504 372 L N -0.107 121.222 121.223 0.176 0.000 2.109 372 L HA -0.082 4.267 4.340 0.016 0.000 0.207 372 L C 2.874 179.862 176.870 0.197 0.000 1.086 372 L CA 0.560 55.493 54.840 0.154 0.000 0.760 372 L CB -0.435 41.682 42.059 0.098 0.000 0.910 372 L HN 0.321 nan 8.230 nan 0.000 0.437 373 A N 0.340 123.246 122.820 0.144 0.000 1.883 373 A HA -0.269 4.061 4.320 0.016 0.000 0.217 373 A C 2.455 180.122 177.584 0.138 0.000 1.186 373 A CA 1.971 54.087 52.037 0.132 0.000 0.624 373 A CB -0.584 18.460 19.000 0.073 0.000 0.822 373 A HN 0.315 nan 8.150 nan 0.000 0.444 374 R N -0.711 119.862 120.500 0.121 0.000 2.066 374 R HA -0.055 4.294 4.340 0.016 0.000 0.232 374 R C 2.416 178.785 176.300 0.115 0.000 1.131 374 R CA 1.303 57.462 56.100 0.099 0.000 0.955 374 R CB -0.443 29.910 30.300 0.088 0.000 0.851 374 R HN 0.450 nan 8.270 nan 0.000 0.432 375 A N 0.839 123.747 122.820 0.147 0.000 1.958 375 A HA -0.230 4.100 4.320 0.016 0.000 0.221 375 A C 2.320 180.065 177.584 0.268 0.000 1.178 375 A CA 2.021 54.168 52.037 0.183 0.000 0.642 375 A CB -0.815 18.311 19.000 0.210 0.000 0.816 375 A HN 0.561 nan 8.150 nan 0.000 0.453 376 A N -0.485 122.538 122.820 0.339 0.000 1.902 376 A HA -0.012 4.317 4.320 0.016 0.000 0.217 376 A C 2.186 179.797 177.584 0.045 0.000 1.181 376 A CA 1.477 53.632 52.037 0.197 0.000 0.623 376 A CB -0.550 18.645 19.000 0.326 0.000 0.818 376 A HN 0.487 nan 8.150 nan 0.000 0.443 377 L N -0.916 120.368 121.223 0.100 0.000 2.027 377 L HA -0.187 4.162 4.340 0.016 0.000 0.206 377 L C 2.594 179.511 176.870 0.078 0.000 1.074 377 L CA 1.645 56.571 54.840 0.143 0.000 0.745 377 L CB -0.586 41.571 42.059 0.165 0.000 0.898 377 L HN 0.451 nan 8.230 nan 0.000 0.433 378 E N -0.056 120.135 120.200 -0.015 0.000 2.153 378 E HA -0.164 4.196 4.350 0.016 0.000 0.194 378 E C 2.177 178.695 176.600 -0.137 0.000 0.988 378 E CA 0.862 57.156 56.400 -0.176 0.000 0.811 378 E CB -0.197 29.481 29.700 -0.037 0.000 0.746 378 E HN 0.559 nan 8.360 nan 0.000 0.466 379 G N 0.553 109.350 108.800 -0.005 0.000 2.422 379 G HA2 -0.218 3.752 3.960 0.016 0.000 0.218 379 G HA3 -0.218 3.752 3.960 0.016 0.000 0.218 379 G C 1.670 176.463 174.900 -0.177 0.000 1.146 379 G CA 0.577 45.632 45.100 -0.074 0.000 0.769 379 G HN 0.128 nan 8.290 nan 0.000 0.547 380 V N 1.219 121.091 119.914 -0.070 0.000 2.407 380 V HA -0.001 4.129 4.120 0.016 0.000 0.245 380 V C 3.262 179.373 176.094 0.029 0.000 1.041 380 V CA 1.752 64.069 62.300 0.028 0.000 1.040 380 V CB -0.531 31.386 31.823 0.156 0.000 0.671 380 V HN 0.449 nan 8.190 nan 0.000 0.455 381 A N -0.363 122.410 122.820 -0.078 0.000 1.933 381 A HA -0.177 4.153 4.320 0.016 0.000 0.218 381 A C 1.992 179.365 177.584 -0.351 0.000 1.175 381 A CA 1.681 53.548 52.037 -0.283 0.000 0.628 381 A CB -0.684 17.981 19.000 -0.559 0.000 0.814 381 A HN 0.457 nan 8.150 nan 0.000 0.444 382 F N 0.431 120.098 119.950 -0.473 0.000 2.293 382 F HA -0.137 4.400 4.527 0.016 0.000 0.300 382 F C 2.716 178.256 175.800 -0.432 0.000 1.086 382 F CA 1.262 58.815 58.000 -0.746 0.000 1.375 382 F CB -0.332 37.493 39.000 -1.957 0.000 1.045 382 F HN 0.289 nan 8.300 nan 0.000 0.516 383 Q N -0.168 119.559 119.800 -0.122 0.000 2.046 383 Q HA -0.138 4.211 4.340 0.016 0.000 0.200 383 Q C 2.557 178.582 176.000 0.040 0.000 0.975 383 Q CA 1.692 57.553 55.803 0.098 0.000 0.836 383 Q CB -0.869 27.887 28.738 0.029 0.000 0.896 383 Q HN 0.297 nan 8.270 nan 0.000 0.428 384 V N 1.172 121.080 119.914 -0.010 0.000 2.343 384 V HA -0.266 3.863 4.120 0.016 0.000 0.247 384 V C 2.474 178.563 176.094 -0.008 0.000 1.051 384 V CA 1.996 64.283 62.300 -0.021 0.000 1.036 384 V CB -0.639 31.195 31.823 0.018 0.000 0.654 384 V HN 0.315 nan 8.190 nan 0.000 0.451 385 R N 0.063 120.564 120.500 0.001 0.000 2.105 385 R HA -0.194 4.156 4.340 0.016 0.000 0.239 385 R C 2.038 178.393 176.300 0.092 0.000 1.135 385 R CA 1.980 58.080 56.100 -0.000 0.000 0.967 385 R CB -0.347 29.938 30.300 -0.024 0.000 0.861 385 R HN 0.529 nan 8.270 nan 0.000 0.442 386 D N 0.002 120.539 120.400 0.229 0.000 2.092 386 D HA -0.174 4.476 4.640 0.016 0.000 0.193 386 D C 1.941 178.269 176.300 0.048 0.000 0.994 386 D CA 1.944 56.083 54.000 0.232 0.000 0.828 386 D CB -0.413 40.525 40.800 0.229 0.000 0.963 386 D HN 0.307 nan 8.370 nan 0.000 0.450 387 V N -0.737 119.167 119.914 -0.016 0.000 2.515 387 V HA -0.155 3.974 4.120 0.016 0.000 0.250 387 V C 2.377 178.461 176.094 -0.016 0.000 1.058 387 V CA 1.113 63.385 62.300 -0.046 0.000 1.064 387 V CB -0.884 30.892 31.823 -0.077 0.000 0.675 387 V HN 0.008 nan 8.190 nan 0.000 0.461 388 V N 0.462 120.369 119.914 -0.012 0.000 2.307 388 V HA -0.177 3.953 4.120 0.016 0.000 0.245 388 V C 2.673 178.762 176.094 -0.008 0.000 1.045 388 V CA 2.276 64.568 62.300 -0.014 0.000 1.024 388 V CB -0.674 31.133 31.823 -0.028 0.000 0.651 388 V HN 0.488 nan 8.190 nan 0.000 0.449 389 L N 0.012 121.233 121.223 -0.003 0.000 2.191 389 L HA -0.155 4.195 4.340 0.016 0.000 0.212 389 L C 2.645 179.530 176.870 0.024 0.000 1.103 389 L CA 1.358 56.203 54.840 0.009 0.000 0.769 389 L CB -0.718 41.361 42.059 0.033 0.000 0.908 389 L HN 0.388 nan 8.230 nan 0.000 0.438 390 A N -0.207 122.626 122.820 0.022 0.000 1.872 390 A HA -0.171 4.159 4.320 0.016 0.000 0.214 390 A C 2.303 179.899 177.584 0.020 0.000 1.187 390 A CA 1.162 53.212 52.037 0.022 0.000 0.614 390 A CB -0.384 18.622 19.000 0.009 0.000 0.826 390 A HN 0.246 nan 8.150 nan 0.000 0.442 391 M N -0.754 118.855 119.600 0.015 0.000 2.082 391 M HA -0.218 4.272 4.480 0.016 0.000 0.258 391 M C 2.131 178.439 176.300 0.013 0.000 1.069 391 M CA 2.157 57.466 55.300 0.016 0.000 1.102 391 M CB -0.359 32.248 32.600 0.012 0.000 1.336 391 M HN 0.642 nan 8.290 nan 0.000 0.404 392 E N 0.404 120.610 120.200 0.009 0.000 2.002 392 E HA -0.156 4.204 4.350 0.016 0.000 0.196 392 E C 0.445 177.052 176.600 0.011 0.000 0.974 392 E CA 0.668 57.073 56.400 0.007 0.000 0.853 392 E CB 0.072 29.771 29.700 -0.000 0.000 0.808 392 E HN 0.082 nan 8.360 nan 0.000 0.492 393 E N 1.083 121.291 120.200 0.013 0.000 2.710 393 E HA -0.050 4.309 4.350 0.016 0.000 0.299 393 E C -0.737 175.875 176.600 0.020 0.000 1.132 393 E CA 0.487 56.898 56.400 0.018 0.000 1.220 393 E CB -0.254 29.460 29.700 0.024 0.000 1.058 393 E HN 0.159 nan 8.360 nan 0.000 0.472 394 E N -0.929 119.281 120.200 0.016 0.000 1.501 394 E HA 0.289 4.649 4.350 0.016 0.000 0.143 394 E C -0.426 176.181 176.600 0.011 0.000 1.893 394 E CA 0.028 56.437 56.400 0.016 0.000 1.134 394 E CB -0.534 29.177 29.700 0.019 0.000 1.690 394 E HN -0.011 nan 8.360 nan 0.000 0.695 395 A N 0.834 123.659 122.820 0.009 0.000 2.142 395 A HA 0.397 4.727 4.320 0.016 0.000 0.208 395 A C 0.656 178.243 177.584 0.005 0.000 1.344 395 A CA 1.529 53.569 52.037 0.004 0.000 1.045 395 A CB -1.130 17.870 19.000 0.000 0.000 0.784 395 A HN 0.268 nan 8.150 nan 0.000 0.509 396 G N -2.399 106.405 108.800 0.008 0.000 2.725 396 G HA2 0.504 4.473 3.960 0.016 0.000 0.288 396 G HA3 0.504 4.473 3.960 0.016 0.000 0.288 396 G C -0.084 174.820 174.900 0.008 0.000 1.399 396 G CA -0.027 45.077 45.100 0.008 0.000 0.859 396 G HN 0.132 nan 8.290 nan 0.000 0.479 397 V N -0.320 119.599 119.914 0.008 0.000 6.138 397 V HA 0.561 4.690 4.120 0.016 0.000 0.265 397 V C 0.660 176.758 176.094 0.007 0.000 1.524 397 V CA -0.083 62.222 62.300 0.008 0.000 0.637 397 V CB 0.283 32.111 31.823 0.009 0.000 1.405 397 V HN 0.648 nan 8.190 nan 0.000 0.360 398 R N -0.327 120.177 120.500 0.006 0.000 2.711 398 R HA 0.604 4.953 4.340 0.016 0.000 0.284 398 R C -1.246 175.057 176.300 0.005 0.000 0.968 398 R CA -0.632 55.470 56.100 0.004 0.000 0.924 398 R CB 1.272 31.574 30.300 0.003 0.000 1.162 398 R HN 0.442 nan 8.270 nan 0.000 0.465 399 L N 3.598 124.823 121.223 0.002 0.000 2.290 399 L HA 0.363 4.713 4.340 0.016 0.000 0.284 399 L C 0.237 177.110 176.870 0.006 0.000 1.078 399 L CA 0.570 55.413 54.840 0.005 0.000 0.815 399 L CB 1.097 43.158 42.059 0.003 0.000 1.162 399 L HN 0.766 nan 8.230 nan 0.000 0.435 400 K N 3.119 123.526 120.400 0.012 0.000 2.128 400 K HA 0.200 4.530 4.320 0.016 0.000 0.202 400 K C -0.306 176.306 176.600 0.020 0.000 1.050 400 K CA 0.579 56.875 56.287 0.014 0.000 0.966 400 K CB 0.392 32.902 32.500 0.018 0.000 0.759 400 K HN 0.418 nan 8.250 nan 0.000 0.454 401 V N 1.364 121.294 119.914 0.026 0.000 2.888 401 V HA 0.343 4.473 4.120 0.016 0.000 0.309 401 V C -2.045 174.075 176.094 0.043 0.000 1.114 401 V CA -1.099 61.224 62.300 0.039 0.000 0.940 401 V CB 1.978 33.833 31.823 0.052 0.000 1.021 401 V HN 0.060 nan 8.190 nan 0.000 0.426 402 L N 6.452 127.706 121.223 0.052 0.000 2.276 402 L HA 0.588 4.938 4.340 0.016 0.000 0.286 402 L C -0.086 176.842 176.870 0.097 0.000 1.024 402 L CA 0.007 54.884 54.840 0.062 0.000 0.826 402 L CB 1.083 43.172 42.059 0.050 0.000 1.211 402 L HN 0.623 nan 8.230 nan 0.000 0.422 403 K N 4.820 125.278 120.400 0.097 0.000 2.349 403 K HA 0.619 4.949 4.320 0.016 0.000 0.288 403 K C -0.219 176.483 176.600 0.170 0.000 1.058 403 K CA -0.110 56.253 56.287 0.127 0.000 0.953 403 K CB 0.908 33.454 32.500 0.077 0.000 0.997 403 K HN 0.727 nan 8.250 nan 0.000 0.477 404 A N 3.714 126.661 122.820 0.213 0.000 2.311 404 A HA 0.596 4.926 4.320 0.016 0.000 0.334 404 A C -0.747 176.993 177.584 0.259 0.000 1.139 404 A CA -0.510 51.695 52.037 0.281 0.000 0.830 404 A CB 0.726 19.871 19.000 0.243 0.000 1.234 404 A HN 0.910 nan 8.150 nan 0.000 0.483 405 D N -1.221 119.364 120.400 0.308 0.000 2.798 405 D HA 0.489 5.139 4.640 0.016 0.000 0.265 405 D C -0.317 176.154 176.300 0.285 0.000 1.223 405 D CA 0.310 54.459 54.000 0.249 0.000 0.743 405 D CB 0.681 41.605 40.800 0.206 0.000 1.276 405 D HN 2.110 nan 8.370 nan 0.000 0.421 406 G N -1.422 107.507 108.800 0.215 0.000 2.423 406 G HA2 0.370 4.339 3.960 0.016 0.000 0.684 406 G HA3 0.370 4.339 3.960 0.016 0.000 0.684 406 G C 0.704 175.694 174.900 0.151 0.000 1.309 406 G CA 0.194 45.416 45.100 0.204 0.000 0.950 406 G HN 1.072 nan 8.290 nan 0.000 0.587 407 G N -0.630 108.244 108.800 0.124 0.000 2.450 407 G HA2 -0.088 3.882 3.960 0.016 0.000 0.220 407 G HA3 -0.088 3.882 3.960 0.016 0.000 0.220 407 G C 1.739 176.646 174.900 0.010 0.000 1.130 407 G CA 1.851 46.993 45.100 0.070 0.000 0.760 407 G HN 0.771 nan 8.290 nan 0.000 0.557 408 M N 0.498 120.084 119.600 -0.023 0.000 2.419 408 M HA 0.254 4.743 4.480 0.016 0.000 0.264 408 M C 2.557 178.719 176.300 -0.230 0.000 1.082 408 M CA 0.805 55.963 55.300 -0.237 0.000 1.119 408 M CB 0.188 32.496 32.600 -0.486 0.000 1.398 408 M HN 0.273 nan 8.290 nan 0.000 0.453 409 A N -0.403 122.375 122.820 -0.070 0.000 2.209 409 A HA -0.096 4.233 4.320 0.016 0.000 0.212 409 A C 1.502 179.097 177.584 0.018 0.000 1.158 409 A CA 0.743 52.770 52.037 -0.017 0.000 0.742 409 A CB -0.474 18.577 19.000 0.085 0.000 0.790 409 A HN 0.595 nan 8.150 nan 0.000 0.472 410 Q N -0.085 119.722 119.800 0.012 0.000 2.253 410 Q HA 0.085 4.435 4.340 0.016 0.000 0.210 410 Q C -0.067 175.944 176.000 0.019 0.000 0.907 410 Q CA -0.058 55.765 55.803 0.033 0.000 0.948 410 Q CB -0.275 28.482 28.738 0.033 0.000 1.033 410 Q HN 0.722 nan 8.270 nan 0.000 0.471 411 N N 0.318 119.018 118.700 0.000 0.000 2.617 411 N HA 0.147 4.896 4.740 0.016 0.000 0.263 411 N C 0.423 175.930 175.510 -0.006 0.000 1.074 411 N CA -0.237 52.817 53.050 0.006 0.000 0.841 411 N CB 0.600 39.076 38.487 -0.019 0.000 1.221 411 N HN 0.018 nan 8.380 nan 0.000 0.529 412 R N 1.186 121.699 120.500 0.021 0.000 2.117 412 R HA -0.170 4.180 4.340 0.016 0.000 0.243 412 R C 1.936 178.176 176.300 -0.101 0.000 1.143 412 R CA 1.163 57.266 56.100 0.005 0.000 0.968 412 R CB -0.270 30.173 30.300 0.239 0.000 0.863 412 R HN 0.511 nan 8.270 nan 0.000 0.444 413 L N 0.561 121.771 121.223 -0.022 0.000 2.012 413 L HA -0.189 4.161 4.340 0.016 0.000 0.210 413 L C 2.139 178.948 176.870 -0.102 0.000 1.073 413 L CA 1.654 56.472 54.840 -0.035 0.000 0.748 413 L CB -0.563 41.499 42.059 0.006 0.000 0.891 413 L HN 0.085 nan 8.230 nan 0.000 0.431 414 F N -0.476 119.344 119.950 -0.217 0.000 2.095 414 F HA -0.256 4.281 4.527 0.016 0.000 0.298 414 F C 2.035 177.607 175.800 -0.381 0.000 1.104 414 F CA 1.959 59.795 58.000 -0.272 0.000 1.232 414 F CB -0.240 38.595 39.000 -0.274 0.000 0.987 414 F HN 0.053 nan 8.300 nan 0.000 0.475 415 L N 0.615 121.478 121.223 -0.600 0.000 2.046 415 L HA -0.247 4.102 4.340 0.016 0.000 0.208 415 L C 2.626 179.029 176.870 -0.779 0.000 1.077 415 L CA 1.973 56.285 54.840 -0.880 0.000 0.747 415 L CB -0.975 40.361 42.059 -1.204 0.000 0.896 415 L HN 0.200 nan 8.230 nan 0.000 0.432 416 K N 1.177 121.205 120.400 -0.621 0.000 2.032 416 K HA -0.218 4.112 4.320 0.016 0.000 0.209 416 K C 2.086 178.516 176.600 -0.283 0.000 1.048 416 K CA 1.695 57.820 56.287 -0.271 0.000 0.927 416 K CB -0.203 32.251 32.500 -0.077 0.000 0.712 416 K HN 0.209 nan 8.250 nan 0.000 0.441 417 I N 1.124 121.484 120.570 -0.349 0.000 2.127 417 I HA -0.310 3.870 4.170 0.016 0.000 0.241 417 I C 2.846 178.686 176.117 -0.462 0.000 1.075 417 I CA 1.638 62.724 61.300 -0.357 0.000 1.334 417 I CB -0.468 37.321 38.000 -0.351 0.000 1.040 417 I HN 0.383 nan 8.210 nan 0.000 0.405 418 Q N 1.343 120.732 119.800 -0.685 0.000 2.112 418 Q HA -0.234 4.115 4.340 0.016 0.000 0.206 418 Q C 2.064 177.830 176.000 -0.389 0.000 0.987 418 Q CA 2.552 57.967 55.803 -0.646 0.000 0.858 418 Q CB -0.380 27.822 28.738 -0.893 0.000 0.905 418 Q HN 0.516 nan 8.270 nan 0.000 0.420 419 A N 0.207 122.831 122.820 -0.326 0.000 1.898 419 A HA -0.184 4.145 4.320 0.016 0.000 0.216 419 A C 1.812 179.309 177.584 -0.145 0.000 1.181 419 A CA 1.668 53.600 52.037 -0.175 0.000 0.620 419 A CB -0.680 18.267 19.000 -0.087 0.000 0.819 419 A HN 0.495 nan 8.150 nan 0.000 0.442 420 D N 0.386 120.687 120.400 -0.165 0.000 2.077 420 D HA -0.117 4.532 4.640 0.016 0.000 0.193 420 D C 2.007 178.225 176.300 -0.137 0.000 0.989 420 D CA 1.246 55.172 54.000 -0.123 0.000 0.831 420 D CB -0.596 40.135 40.800 -0.115 0.000 0.979 420 D HN 0.407 nan 8.370 nan 0.000 0.449 421 L N 0.202 121.298 121.223 -0.212 0.000 2.129 421 L HA -0.180 4.169 4.340 0.016 0.000 0.212 421 L C 2.361 179.121 176.870 -0.182 0.000 1.087 421 L CA 0.464 55.172 54.840 -0.222 0.000 0.757 421 L CB -0.292 41.476 42.059 -0.484 0.000 0.896 421 L HN 0.063 nan 8.230 nan 0.000 0.434 422 L N 0.114 121.223 121.223 -0.190 0.000 2.341 422 L HA 0.125 4.474 4.340 0.016 0.000 0.214 422 L C 1.643 178.448 176.870 -0.107 0.000 1.115 422 L CA 1.316 56.065 54.840 -0.151 0.000 0.820 422 L CB -0.710 41.265 42.059 -0.140 0.000 0.944 422 L HN 0.349 nan 8.230 nan 0.000 0.452 423 G N -0.462 108.285 108.800 -0.089 0.000 2.187 423 G HA2 -0.236 3.734 3.960 0.016 0.000 0.261 423 G HA3 -0.236 3.734 3.960 0.016 0.000 0.261 423 G C 0.124 174.999 174.900 -0.042 0.000 1.000 423 G CA 0.538 45.604 45.100 -0.057 0.000 0.718 423 G HN 0.308 nan 8.290 nan 0.000 0.519 424 V N 0.779 120.666 119.914 -0.044 0.000 2.876 424 V HA 0.666 4.795 4.120 0.016 0.000 0.312 424 V C -1.887 174.202 176.094 -0.008 0.000 1.085 424 V CA -1.775 60.511 62.300 -0.023 0.000 0.945 424 V CB 2.524 34.332 31.823 -0.024 0.000 1.017 424 V HN 0.118 nan 8.190 nan 0.000 0.428 425 P HA 0.311 nan 4.420 nan 0.000 0.274 425 P C -1.097 176.238 177.300 0.058 0.000 1.231 425 P CA -0.074 63.050 63.100 0.041 0.000 0.790 425 P CB 1.511 33.236 31.700 0.043 0.000 0.951 426 V N 1.387 121.364 119.914 0.105 0.000 2.680 426 V HA 0.709 4.839 4.120 0.016 0.000 0.309 426 V C 0.055 176.282 176.094 0.223 0.000 1.052 426 V CA -0.758 61.615 62.300 0.123 0.000 0.908 426 V CB 1.679 33.526 31.823 0.041 0.000 1.001 426 V HN 0.808 nan 8.190 nan 0.000 0.431 427 A N 3.810 126.750 122.820 0.200 0.000 2.374 427 A HA 0.879 5.208 4.320 0.016 0.000 0.305 427 A C -1.034 176.693 177.584 0.238 0.000 1.053 427 A CA -0.532 51.637 52.037 0.220 0.000 0.726 427 A CB 1.757 20.860 19.000 0.173 0.000 1.229 427 A HN 0.661 nan 8.150 nan 0.000 0.431 428 V N 3.917 123.981 119.914 0.251 0.000 2.532 428 V HA 0.562 4.692 4.120 0.016 0.000 0.295 428 V C -1.972 174.236 176.094 0.189 0.000 1.041 428 V CA -1.525 60.914 62.300 0.232 0.000 0.926 428 V CB 1.607 33.579 31.823 0.248 0.000 0.992 428 V HN 0.872 nan 8.190 nan 0.000 0.457 429 P HA 0.333 nan 4.420 nan 0.000 0.279 429 P C 0.297 177.619 177.300 0.036 0.000 1.276 429 P CA -0.360 62.817 63.100 0.128 0.000 0.801 429 P CB 1.714 33.604 31.700 0.316 0.000 1.127 430 E N -0.634 119.526 120.200 -0.067 0.000 2.046 430 E HA -0.001 4.359 4.350 0.016 0.000 0.190 430 E C 0.169 176.784 176.600 0.026 0.000 0.982 430 E CA 0.944 57.322 56.400 -0.037 0.000 0.800 430 E CB -0.150 29.497 29.700 -0.087 0.000 0.756 430 E HN 0.174 nan 8.360 nan 0.000 0.449 431 V N 2.942 122.887 119.914 0.052 0.000 2.387 431 V HA -0.054 4.075 4.120 0.016 0.000 0.260 431 V C 1.598 177.779 176.094 0.145 0.000 1.054 431 V CA 0.612 62.982 62.300 0.117 0.000 0.967 431 V CB 0.691 32.615 31.823 0.168 0.000 1.036 431 V HN 0.388 nan 8.190 nan 0.000 0.481 432 T N 1.095 115.726 114.554 0.128 0.000 2.904 432 T HA -0.066 4.293 4.350 0.016 0.000 0.267 432 T C 0.893 175.687 174.700 0.157 0.000 1.059 432 T CA 0.628 62.808 62.100 0.134 0.000 1.137 432 T CB -0.074 68.857 68.868 0.104 0.000 0.879 432 T HN 0.566 nan 8.240 nan 0.000 0.467 433 E N 2.158 122.464 120.200 0.177 0.000 2.773 433 E HA 0.097 4.457 4.350 0.016 0.000 0.302 433 E C 1.117 177.867 176.600 0.251 0.000 1.574 433 E CA -0.001 56.527 56.400 0.213 0.000 1.775 433 E CB -0.415 29.418 29.700 0.222 0.000 1.413 433 E HN 0.579 nan 8.360 nan 0.000 0.471 434 T N 0.278 114.949 114.554 0.195 0.000 2.665 434 T HA -0.190 4.170 4.350 0.016 0.000 0.268 434 T C 1.880 176.660 174.700 0.133 0.000 1.035 434 T CA 1.889 64.086 62.100 0.162 0.000 1.151 434 T CB -0.100 68.866 68.868 0.162 0.000 0.862 434 T HN 0.311 nan 8.240 nan 0.000 0.438 435 T N 1.938 116.577 114.554 0.141 0.000 2.635 435 T HA -0.114 4.245 4.350 0.016 0.000 0.267 435 T C 2.390 177.158 174.700 0.113 0.000 1.040 435 T CA 1.451 63.623 62.100 0.120 0.000 1.156 435 T CB -0.696 68.243 68.868 0.119 0.000 0.863 435 T HN 0.471 nan 8.240 nan 0.000 0.430 436 A N 1.087 124.007 122.820 0.166 0.000 1.902 436 A HA -0.029 4.300 4.320 0.016 0.000 0.217 436 A C 2.261 179.876 177.584 0.052 0.000 1.181 436 A CA 1.511 53.674 52.037 0.210 0.000 0.623 436 A CB -0.895 18.326 19.000 0.369 0.000 0.818 436 A HN 0.438 nan 8.150 nan 0.000 0.443 437 L N 0.123 121.322 121.223 -0.040 0.000 2.187 437 L HA -0.046 4.304 4.340 0.016 0.000 0.213 437 L C 2.263 178.943 176.870 -0.316 0.000 1.100 437 L CA 2.077 56.545 54.840 -0.620 0.000 0.765 437 L CB -0.726 41.168 42.059 -0.275 0.000 0.904 437 L HN 0.299 nan 8.230 nan 0.000 0.437 438 G N -1.141 107.618 108.800 -0.068 0.000 2.402 438 G HA2 -0.211 3.759 3.960 0.016 0.000 0.216 438 G HA3 -0.211 3.759 3.960 0.016 0.000 0.216 438 G C 1.605 176.524 174.900 0.032 0.000 1.162 438 G CA 0.628 45.770 45.100 0.069 0.000 0.777 438 G HN 0.592 nan 8.290 nan 0.000 0.539 439 A N 1.163 123.972 122.820 -0.018 0.000 1.902 439 A HA 0.273 4.602 4.320 0.016 0.000 0.217 439 A C 2.797 180.347 177.584 -0.056 0.000 1.181 439 A CA 2.239 54.253 52.037 -0.039 0.000 0.623 439 A CB -0.742 18.255 19.000 -0.004 0.000 0.818 439 A HN 0.733 nan 8.150 nan 0.000 0.443 440 A N -0.130 122.629 122.820 -0.102 0.000 1.873 440 A HA -0.026 4.303 4.320 0.016 0.000 0.215 440 A C 2.155 179.692 177.584 -0.080 0.000 1.186 440 A CA 1.453 53.427 52.037 -0.105 0.000 0.616 440 A CB -0.646 18.197 19.000 -0.261 0.000 0.823 440 A HN 0.467 nan 8.150 nan 0.000 0.442 441 L N -1.647 119.524 121.223 -0.087 0.000 2.083 441 L HA -0.214 4.136 4.340 0.016 0.000 0.209 441 L C 2.754 179.695 176.870 0.117 0.000 1.083 441 L CA 1.730 56.589 54.840 0.031 0.000 0.752 441 L CB -0.482 41.611 42.059 0.057 0.000 0.899 441 L HN 0.474 nan 8.230 nan 0.000 0.433 442 M N 0.296 119.913 119.600 0.028 0.000 2.132 442 M HA -0.093 4.396 4.480 0.016 0.000 0.263 442 M C 2.265 178.508 176.300 -0.095 0.000 1.065 442 M CA 2.044 57.228 55.300 -0.193 0.000 1.122 442 M CB -0.537 31.840 32.600 -0.373 0.000 1.365 442 M HN 0.147 nan 8.290 nan 0.000 0.411 443 A N -0.675 122.112 122.820 -0.055 0.000 2.015 443 A HA 0.102 4.432 4.320 0.016 0.000 0.219 443 A C 2.288 179.875 177.584 0.005 0.000 1.163 443 A CA 1.533 53.559 52.037 -0.018 0.000 0.646 443 A CB -1.647 17.349 19.000 -0.005 0.000 0.806 443 A HN 0.615 nan 8.150 nan 0.000 0.448 444 G N -0.674 108.131 108.800 0.008 0.000 2.402 444 G HA2 -0.070 3.900 3.960 0.016 0.000 0.216 444 G HA3 -0.070 3.900 3.960 0.016 0.000 0.216 444 G C 1.386 176.296 174.900 0.018 0.000 1.162 444 G CA 1.120 46.232 45.100 0.020 0.000 0.777 444 G HN 0.306 nan 8.290 nan 0.000 0.539 445 V N 1.329 121.251 119.914 0.015 0.000 2.913 445 V HA 0.021 4.150 4.120 0.016 0.000 0.260 445 V C 2.854 178.949 176.094 0.002 0.000 1.098 445 V CA 1.612 63.917 62.300 0.010 0.000 1.121 445 V CB -0.234 31.590 31.823 0.002 0.000 0.714 445 V HN 0.436 nan 8.190 nan 0.000 0.487 446 G N -0.445 108.356 108.800 0.003 0.000 2.426 446 G HA2 -0.004 3.966 3.960 0.016 0.000 0.214 446 G HA3 -0.004 3.966 3.960 0.016 0.000 0.214 446 G C 1.556 176.471 174.900 0.024 0.000 1.156 446 G CA 0.702 45.813 45.100 0.018 0.000 0.802 446 G HN 0.567 nan 8.290 nan 0.000 0.534 447 A N -0.249 122.585 122.820 0.024 0.000 2.206 447 A HA 0.444 4.773 4.320 0.016 0.000 0.211 447 A C 2.130 179.724 177.584 0.017 0.000 1.158 447 A CA 1.395 53.446 52.037 0.024 0.000 0.761 447 A CB -0.495 18.521 19.000 0.027 0.000 0.801 447 A HN 1.541 nan 8.150 nan 0.000 0.473 448 G N -1.766 107.043 108.800 0.015 0.000 2.225 448 G HA2 -0.162 3.808 3.960 0.016 0.000 0.254 448 G HA3 -0.162 3.808 3.960 0.016 0.000 0.254 448 G C 1.277 176.184 174.900 0.012 0.000 0.988 448 G CA 0.889 45.996 45.100 0.012 0.000 0.625 448 G HN 1.448 nan 8.290 nan 0.000 0.527 449 A N -0.536 122.292 122.820 0.014 0.000 2.121 449 A HA 0.577 4.907 4.320 0.016 0.000 0.218 449 A C 1.177 178.768 177.584 0.012 0.000 1.154 449 A CA 1.476 53.520 52.037 0.013 0.000 0.679 449 A CB -0.012 18.998 19.000 0.016 0.000 0.795 449 A HN 0.797 nan 8.150 nan 0.000 0.458 450 L N -1.382 119.849 121.223 0.015 0.000 2.341 450 L HA 0.517 4.866 4.340 0.016 0.000 0.254 450 L C -0.289 176.591 176.870 0.017 0.000 1.040 450 L CA -0.683 54.166 54.840 0.014 0.000 0.837 450 L CB 2.419 44.488 42.059 0.016 0.000 1.425 450 L HN 0.163 nan 8.230 nan 0.000 0.414 451 S N -0.860 114.849 115.700 0.014 0.000 2.548 451 S HA 0.518 4.997 4.470 0.016 0.000 0.286 451 S C -2.279 172.330 174.600 0.016 0.000 1.098 451 S CA -1.281 56.930 58.200 0.018 0.000 0.930 451 S CB 2.190 65.398 63.200 0.013 0.000 1.070 451 S HN 0.436 nan 8.310 nan 0.000 0.480 452 P HA -0.137 nan 4.420 nan 0.000 0.218 452 P C 0.681 177.955 177.300 -0.043 0.000 1.146 452 P CA 1.352 64.462 63.100 0.017 0.000 0.813 452 P CB 0.055 31.798 31.700 0.071 0.000 0.778 453 E N -0.084 120.108 120.200 -0.013 0.000 2.204 453 E HA -0.136 4.223 4.350 0.016 0.000 0.194 453 E C 1.731 178.313 176.600 -0.029 0.000 0.989 453 E CA 0.973 57.363 56.400 -0.016 0.000 0.824 453 E CB -0.768 28.933 29.700 0.002 0.000 0.756 453 E HN 0.275 nan 8.360 nan 0.000 0.477 454 D N -0.201 120.180 120.400 -0.031 0.000 2.097 454 D HA -0.119 4.531 4.640 0.016 0.000 0.195 454 D C 1.980 178.247 176.300 -0.056 0.000 0.989 454 D CA 0.871 54.852 54.000 -0.031 0.000 0.827 454 D CB -0.404 40.383 40.800 -0.022 0.000 0.966 454 D HN 0.011 nan 8.370 nan 0.000 0.456 455 V N 1.660 121.506 119.914 -0.113 0.000 2.231 455 V HA -0.329 3.801 4.120 0.016 0.000 0.250 455 V C 2.519 178.535 176.094 -0.131 0.000 1.058 455 V CA 2.326 64.509 62.300 -0.195 0.000 1.022 455 V CB -1.011 30.537 31.823 -0.458 0.000 0.640 455 V HN 0.246 nan 8.190 nan 0.000 0.445 456 A N 0.034 122.776 122.820 -0.131 0.000 2.070 456 A HA -0.041 4.288 4.320 0.016 0.000 0.220 456 A C 2.307 179.906 177.584 0.025 0.000 1.159 456 A CA 1.802 53.805 52.037 -0.058 0.000 0.656 456 A CB -0.959 18.003 19.000 -0.063 0.000 0.800 456 A HN 0.599 nan 8.150 nan 0.000 0.453 457 G N -0.646 108.158 108.800 0.005 0.000 2.430 457 G HA2 -0.097 3.873 3.960 0.016 0.000 0.216 457 G HA3 -0.097 3.873 3.960 0.016 0.000 0.216 457 G C 1.653 176.568 174.900 0.026 0.000 1.146 457 G CA 0.489 45.600 45.100 0.018 0.000 0.793 457 G HN 0.569 nan 8.290 nan 0.000 0.537 458 R N -0.833 119.680 120.500 0.022 0.000 2.297 458 R HA 0.177 4.526 4.340 0.016 0.000 0.197 458 R C 0.186 176.501 176.300 0.026 0.000 0.943 458 R CA -0.583 55.525 56.100 0.014 0.000 1.038 458 R CB -0.049 30.251 30.300 0.001 0.000 0.957 458 R HN 0.310 nan 8.270 nan 0.000 0.484 459 F N 3.227 123.141 119.950 -0.061 0.000 2.557 459 F HA 0.041 4.578 4.527 0.016 0.000 0.384 459 F C 0.090 175.876 175.800 -0.024 0.000 1.057 459 F CA -0.387 57.582 58.000 -0.052 0.000 1.169 459 F CB 0.299 39.258 39.000 -0.068 0.000 1.070 459 F HN -0.247 nan 8.300 nan 0.000 0.554 460 R N 4.854 124.818 120.500 -0.893 0.000 2.604 460 R HA 0.308 4.658 4.340 0.016 0.000 0.287 460 R C -0.829 174.884 176.300 -0.978 0.000 0.970 460 R CA -0.853 54.820 56.100 -0.711 0.000 0.946 460 R CB 1.348 31.448 30.300 -0.332 0.000 1.127 460 R HN 0.755 nan 8.270 nan 0.000 0.473 461 E N 1.103 120.985 120.200 -0.530 0.000 2.165 461 E HA 0.452 4.812 4.350 0.016 0.000 0.266 461 E C -0.155 176.364 176.600 -0.135 0.000 0.889 461 E CA -0.429 55.801 56.400 -0.283 0.000 0.756 461 E CB 1.509 31.165 29.700 -0.075 0.000 1.131 461 E HN 0.615 nan 8.360 nan 0.000 0.411 462 A N 4.971 127.743 122.820 -0.079 0.000 1.861 462 A HA 0.032 4.362 4.320 0.016 0.000 0.214 462 A C 0.612 178.163 177.584 -0.055 0.000 1.322 462 A CA 0.842 52.849 52.037 -0.050 0.000 0.601 462 A CB -0.155 18.840 19.000 -0.009 0.000 0.966 462 A HN 0.740 nan 8.150 nan 0.000 0.471 463 E N -1.764 118.409 120.200 -0.045 0.000 2.303 463 E HA 0.615 4.975 4.350 0.016 0.000 0.254 463 E C -0.664 175.865 176.600 -0.119 0.000 0.979 463 E CA -0.809 55.499 56.400 -0.154 0.000 0.843 463 E CB 1.502 31.009 29.700 -0.321 0.000 1.245 463 E HN 0.392 nan 8.360 nan 0.000 0.413 464 R N 1.184 121.524 120.500 -0.267 0.000 2.508 464 R HA 0.264 4.614 4.340 0.016 0.000 0.283 464 R C -1.859 174.295 176.300 -0.243 0.000 1.120 464 R CA -0.407 55.631 56.100 -0.103 0.000 0.958 464 R CB 0.585 30.864 30.300 -0.034 0.000 1.215 464 R HN 0.288 nan 8.270 nan 0.000 0.427 465 F N 4.965 124.906 119.950 -0.015 0.000 2.410 465 F HA 0.417 4.954 4.527 0.016 0.000 0.349 465 F C 0.200 175.978 175.800 -0.035 0.000 1.117 465 F CA -0.682 57.299 58.000 -0.031 0.000 1.104 465 F CB 1.148 40.117 39.000 -0.052 0.000 1.122 465 F HN 0.172 nan 8.300 nan 0.000 0.483 466 L N 4.991 126.271 121.223 0.096 0.000 2.334 466 L HA 0.442 4.791 4.340 0.016 0.000 0.277 466 L C -2.153 174.740 176.870 0.038 0.000 1.075 466 L CA -2.095 52.774 54.840 0.049 0.000 0.804 466 L CB 0.837 42.904 42.059 0.015 0.000 1.174 466 L HN 0.333 nan 8.230 nan 0.000 0.438 467 P HA 0.038 nan 4.420 nan 0.000 0.264 467 P C -0.129 177.170 177.300 -0.003 0.000 1.193 467 P CA 0.172 63.267 63.100 -0.007 0.000 0.763 467 P CB 0.548 32.238 31.700 -0.017 0.000 0.810 468 T N 1.822 116.371 114.554 -0.008 0.000 3.231 468 T HA 0.274 4.634 4.350 0.016 0.000 0.292 468 T C 0.234 174.931 174.700 -0.005 0.000 1.001 468 T CA -0.013 62.085 62.100 -0.003 0.000 0.920 468 T CB -0.198 68.671 68.868 0.003 0.000 1.140 468 T HN 0.339 nan 8.240 nan 0.000 0.525 469 M N 2.423 122.017 119.600 -0.010 0.000 2.383 469 M HA 0.521 5.011 4.480 0.016 0.000 0.325 469 M C -2.763 173.539 176.300 0.003 0.000 1.092 469 M CA -2.089 53.209 55.300 -0.003 0.000 0.961 469 M CB 1.903 34.498 32.600 -0.010 0.000 1.672 469 M HN -0.179 nan 8.290 nan 0.000 0.438 470 P HA 0.106 nan 4.420 nan 0.000 0.272 470 P C -0.160 177.152 177.300 0.020 0.000 1.223 470 P CA -0.118 62.991 63.100 0.015 0.000 0.784 470 P CB 0.596 32.308 31.700 0.019 0.000 0.923 471 E N 1.214 121.425 120.200 0.018 0.000 2.038 471 E HA -0.195 4.165 4.350 0.016 0.000 0.195 471 E C 2.036 178.658 176.600 0.038 0.000 1.000 471 E CA 1.710 58.123 56.400 0.022 0.000 0.803 471 E CB -0.772 28.938 29.700 0.017 0.000 0.750 471 E HN 0.653 nan 8.360 nan 0.000 0.448 472 G N 1.236 110.059 108.800 0.037 0.000 2.631 472 G HA2 -0.406 3.564 3.960 0.016 0.000 0.219 472 G HA3 -0.406 3.564 3.960 0.016 0.000 0.219 472 G C 1.672 176.610 174.900 0.062 0.000 1.214 472 G CA 1.398 46.526 45.100 0.047 0.000 0.785 472 G HN 0.240 nan 8.290 nan 0.000 0.596 473 R N 0.683 121.218 120.500 0.059 0.000 2.091 473 R HA -0.056 4.294 4.340 0.016 0.000 0.238 473 R C 2.537 178.899 176.300 0.103 0.000 1.136 473 R CA 2.067 58.212 56.100 0.075 0.000 0.959 473 R CB -0.675 29.660 30.300 0.059 0.000 0.856 473 R HN 0.446 nan 8.270 nan 0.000 0.437 474 R N 0.018 120.570 120.500 0.086 0.000 2.070 474 R HA -0.125 4.225 4.340 0.016 0.000 0.233 474 R C 1.672 178.070 176.300 0.164 0.000 1.137 474 R CA 1.834 57.997 56.100 0.105 0.000 0.945 474 R CB -0.182 30.143 30.300 0.043 0.000 0.845 474 R HN 0.210 nan 8.270 nan 0.000 0.430 475 E N 0.345 120.623 120.200 0.129 0.000 2.150 475 E HA -0.128 4.231 4.350 0.016 0.000 0.193 475 E C 1.839 178.549 176.600 0.184 0.000 0.985 475 E CA 1.173 57.673 56.400 0.166 0.000 0.814 475 E CB -0.257 29.510 29.700 0.112 0.000 0.752 475 E HN 0.490 nan 8.360 nan 0.000 0.466 476 A N 1.236 124.142 122.820 0.143 0.000 1.877 476 A HA -0.148 4.182 4.320 0.016 0.000 0.216 476 A C 2.394 180.068 177.584 0.150 0.000 1.186 476 A CA 1.168 53.277 52.037 0.121 0.000 0.620 476 A CB -0.737 18.324 19.000 0.101 0.000 0.822 476 A HN 0.187 nan 8.150 nan 0.000 0.443 477 L N -2.321 119.037 121.223 0.226 0.000 1.994 477 L HA -0.202 4.148 4.340 0.016 0.000 0.208 477 L C 2.609 179.614 176.870 0.225 0.000 1.071 477 L CA 1.886 56.915 54.840 0.316 0.000 0.745 477 L CB -0.814 41.530 42.059 0.475 0.000 0.892 477 L HN 0.531 nan 8.230 nan 0.000 0.431 478 Y N 1.004 121.408 120.300 0.173 0.000 2.193 478 Y HA -0.324 4.235 4.550 0.016 0.000 0.285 478 Y C 2.846 178.742 175.900 -0.006 0.000 1.166 478 Y CA 1.663 59.816 58.100 0.089 0.000 1.181 478 Y CB -0.370 38.208 38.460 0.197 0.000 0.976 478 Y HN 0.010 nan 8.280 nan 0.000 0.520 479 R N -0.352 120.165 120.500 0.029 0.000 2.083 479 R HA -0.185 4.164 4.340 0.016 0.000 0.237 479 R C 2.348 178.503 176.300 -0.240 0.000 1.137 479 R CA 1.639 57.679 56.100 -0.100 0.000 0.951 479 R CB -0.041 30.253 30.300 -0.010 0.000 0.851 479 R HN 0.199 nan 8.270 nan 0.000 0.434 480 R N -0.003 120.340 120.500 -0.261 0.000 2.081 480 R HA -0.204 4.146 4.340 0.016 0.000 0.235 480 R C 1.978 177.784 176.300 -0.823 0.000 1.131 480 R CA 1.375 57.174 56.100 -0.502 0.000 0.960 480 R CB -0.998 29.000 30.300 -0.502 0.000 0.856 480 R HN 0.559 nan 8.270 nan 0.000 0.436 481 W N 2.344 123.031 121.300 -1.020 0.000 2.358 481 W HA -0.174 4.496 4.660 0.016 0.000 0.303 481 W C 1.309 177.441 176.519 -0.645 0.000 1.208 481 W CA 0.955 57.723 57.345 -0.962 0.000 1.274 481 W CB -0.115 28.594 29.460 -1.252 0.000 1.138 481 W HN -0.032 nan 8.180 nan 0.000 0.515 482 R N 0.711 120.780 120.500 -0.717 0.000 2.105 482 R HA -0.200 4.150 4.340 0.016 0.000 0.239 482 R C 1.834 177.783 176.300 -0.585 0.000 1.135 482 R CA 1.911 57.591 56.100 -0.700 0.000 0.967 482 R CB -1.014 28.984 30.300 -0.504 0.000 0.861 482 R HN 0.244 nan 8.270 nan 0.000 0.442 483 E N 0.614 120.520 120.200 -0.491 0.000 2.274 483 E HA -0.010 4.350 4.350 0.016 0.000 0.194 483 E C 1.630 177.981 176.600 -0.414 0.000 0.996 483 E CA 1.102 57.274 56.400 -0.380 0.000 0.840 483 E CB -0.024 29.496 29.700 -0.299 0.000 0.772 483 E HN 0.280 nan 8.360 nan 0.000 0.491 484 A N -0.201 122.289 122.820 -0.550 0.000 1.898 484 A HA -0.052 4.277 4.320 0.016 0.000 0.214 484 A C 2.422 179.675 177.584 -0.552 0.000 1.183 484 A CA 1.196 52.948 52.037 -0.474 0.000 0.622 484 A CB -0.681 18.064 19.000 -0.426 0.000 0.824 484 A HN 0.170 nan 8.150 nan 0.000 0.444 485 V N 0.626 120.026 119.914 -0.857 0.000 2.287 485 V HA -0.267 3.863 4.120 0.016 0.000 0.248 485 V C 2.630 178.389 176.094 -0.559 0.000 1.053 485 V CA 2.309 64.097 62.300 -0.852 0.000 1.027 485 V CB -0.718 30.444 31.823 -1.101 0.000 0.646 485 V HN 0.527 nan 8.190 nan 0.000 0.447 486 E N 0.221 120.142 120.200 -0.465 0.000 2.058 486 E HA -0.244 4.115 4.350 0.016 0.000 0.194 486 E C 2.328 178.799 176.600 -0.216 0.000 0.997 486 E CA 1.373 57.591 56.400 -0.302 0.000 0.801 486 E CB -0.389 29.166 29.700 -0.243 0.000 0.746 486 E HN 0.531 nan 8.360 nan 0.000 0.450 487 R N 0.168 120.540 120.500 -0.214 0.000 2.285 487 R HA -0.011 4.338 4.340 0.016 0.000 0.213 487 R C 1.933 178.162 176.300 -0.117 0.000 1.068 487 R CA 0.901 56.919 56.100 -0.136 0.000 1.004 487 R CB -0.044 30.175 30.300 -0.135 0.000 0.873 487 R HN 0.125 nan 8.270 nan 0.000 0.467 488 A N 0.369 123.083 122.820 -0.176 0.000 2.014 488 A HA 0.089 4.418 4.320 0.016 0.000 0.210 488 A C 0.430 177.977 177.584 -0.061 0.000 1.188 488 A CA 0.040 51.994 52.037 -0.139 0.000 0.731 488 A CB 0.208 19.084 19.000 -0.208 0.000 0.858 488 A HN 0.066 nan 8.150 nan 0.000 0.464 489 K N 0.207 120.539 120.400 -0.112 0.000 2.469 489 K HA 0.271 4.601 4.320 0.016 0.000 0.274 489 K C 0.691 177.337 176.600 0.076 0.000 0.983 489 K CA 0.641 56.901 56.287 -0.046 0.000 0.974 489 K CB -0.031 32.403 32.500 -0.111 0.000 0.913 489 K HN 0.586 nan 8.250 nan 0.000 0.493 490 G N 3.702 112.588 108.800 0.144 0.000 2.247 490 G HA2 -0.217 3.752 3.960 0.016 0.000 0.260 490 G HA3 -0.217 3.752 3.960 0.016 0.000 0.260 490 G C 0.171 175.189 174.900 0.198 0.000 0.852 490 G CA 0.430 45.639 45.100 0.183 0.000 1.281 490 G HN 0.964 nan 8.290 nan 0.000 0.378 491 W N 1.652 123.000 121.300 0.081 0.000 2.842 491 W HA 0.543 5.212 4.660 0.015 0.000 0.267 491 W C 0.999 177.566 176.519 0.080 0.000 1.219 491 W CA 0.648 58.022 57.345 0.049 0.000 1.458 491 W CB 0.370 29.850 29.460 0.033 0.000 1.006 491 W HN 0.796 nan 8.180 nan 0.000 0.603 492 A N 2.221 125.132 122.820 0.151 0.000 2.271 492 A HA 0.441 4.771 4.320 0.016 0.000 0.288 492 A C -0.045 177.584 177.584 0.076 0.000 1.094 492 A CA -0.518 51.590 52.037 0.118 0.000 0.828 492 A CB 0.390 19.573 19.000 0.304 0.000 1.091 492 A HN 0.246 nan 8.150 nan 0.000 0.493 493 R N 0.487 121.005 120.500 0.028 0.000 2.390 493 R HA 0.261 4.610 4.340 0.016 0.000 0.291 493 R C -0.237 176.061 176.300 -0.004 0.000 1.070 493 R CA -0.029 56.035 56.100 -0.059 0.000 1.014 493 R CB 0.408 30.676 30.300 -0.053 0.000 1.007 493 R HN 0.866 nan 8.270 nan 0.000 0.466 494 E N 0.000 120.032 120.200 -0.280 0.000 2.725 494 E HA 0.000 4.360 4.350 0.016 0.000 0.291 494 E CA 0.000 56.224 56.400 -0.294 0.000 0.976 494 E CB 0.000 29.319 29.700 -0.636 0.000 0.812 494 E HN 0.000 nan 8.360 nan 0.000 0.440