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 2bz9_1_B DATA FIRST_RESID 2 DATA SEQUENCE SAVALPRVSG GHDEHGHLEE FRTDPIGLMQ RVRDELGDVG TFQLAGKQVV DATA SEQUENCE LLSGSHANEF FFRAGDDDLD QAKAYPFMTP IFGXXXXXXX XXXRRKEMLH DATA SEQUENCE NAALRGEQMK GHAATIEDQV RRMIADWGEA GEIDLLDFFA ELTIYTSSAC DATA SEQUENCE LIGKKFRDQL DGRFAKLYHE LERGTDPLAY VDPYLPIESF RRRDEARNGL DATA SEQUENCE VALVADIMNG RIANPXXXXX DRDMLDVLIA VKAETGTPRF SADEITGMFI DATA SEQUENCE SMMFAGHHTS SGTASWTLIE LMRHRDAYAA VIDELDELYG DGRSVSFHAL DATA SEQUENCE RQIPQLENVL KETLRLHPPL IILMRVAKGE FEVQGHRIHE GDLVAASPAI DATA SEQUENCE SNRIPEDFPD PHDFVPARYE QPRQEDLLNR WTWIPFGAGR HRCVGAAFAI DATA SEQUENCE MQIKAIFSVL LREYEFEMAQ PPESYRNDHS KMVVQLAQPA AVRYRRRT 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.592 174.600 -0.013 0.000 1.055 2 S CA 0.000 58.195 58.200 -0.008 0.000 1.107 2 S CB 0.000 63.193 63.200 -0.011 0.000 0.593 3 A N 2.105 124.919 122.820 -0.011 0.000 3.033 3 A HA 0.612 4.932 4.320 -0.000 0.000 0.250 3 A C 0.376 177.955 177.584 -0.008 0.000 1.633 3 A CA -0.064 51.964 52.037 -0.015 0.000 1.290 3 A CB -0.899 18.095 19.000 -0.011 0.000 1.048 3 A HN 0.632 nan 8.150 nan 0.000 0.648 4 V N 0.515 120.426 119.914 -0.005 0.000 2.649 4 V HA 0.614 4.734 4.120 -0.000 0.000 0.292 4 V C 0.628 176.727 176.094 0.007 0.000 1.055 4 V CA 0.413 62.719 62.300 0.010 0.000 1.023 4 V CB 0.942 32.780 31.823 0.025 0.000 0.992 4 V HN 0.774 nan 8.190 nan 0.000 0.480 5 A N 4.234 127.066 122.820 0.021 0.000 2.566 5 A HA 0.820 5.140 4.320 -0.000 0.000 0.292 5 A C -0.918 176.689 177.584 0.038 0.000 1.112 5 A CA -0.829 51.219 52.037 0.017 0.000 0.707 5 A CB 1.078 20.077 19.000 -0.001 0.000 1.302 5 A HN 0.702 nan 8.150 nan 0.000 0.409 6 L N 1.879 123.119 121.223 0.029 0.000 2.452 6 L HA 0.293 4.633 4.340 -0.000 0.000 0.267 6 L C -1.603 175.256 176.870 -0.018 0.000 1.188 6 L CA -1.402 53.444 54.840 0.010 0.000 0.821 6 L CB 0.436 42.477 42.059 -0.031 0.000 1.102 6 L HN 0.519 nan 8.230 nan 0.000 0.470 7 P HA 0.004 nan 4.420 nan 0.000 0.261 7 P C -0.891 176.386 177.300 -0.040 0.000 1.203 7 P CA 0.087 63.166 63.100 -0.034 0.000 0.767 7 P CB 0.398 32.066 31.700 -0.055 0.000 0.785 8 R N 3.054 123.553 120.500 -0.002 0.000 2.349 8 R HA 0.398 4.738 4.340 -0.000 0.000 0.299 8 R C -0.382 175.935 176.300 0.029 0.000 1.027 8 R CA -0.796 55.315 56.100 0.017 0.000 0.958 8 R CB 1.138 31.474 30.300 0.060 0.000 1.047 8 R HN 0.293 nan 8.270 nan 0.000 0.468 9 V N 3.650 123.567 119.914 0.006 0.000 3.003 9 V HA 0.134 4.254 4.120 -0.000 0.000 0.305 9 V C 0.257 176.404 176.094 0.089 0.000 1.078 9 V CA 0.090 62.391 62.300 0.002 0.000 1.083 9 V CB 1.586 33.362 31.823 -0.079 0.000 1.039 9 V HN 1.119 nan 8.190 nan 0.000 0.481 10 S N 4.501 120.248 115.700 0.079 0.000 2.612 10 S HA 0.599 5.069 4.470 -0.000 0.000 0.253 10 S C 0.684 175.366 174.600 0.138 0.000 1.346 10 S CA 0.126 58.381 58.200 0.092 0.000 0.976 10 S CB 0.473 63.710 63.200 0.061 0.000 0.949 10 S HN 2.575 nan 8.310 nan 0.000 0.584 11 G N 0.108 108.884 108.800 -0.040 0.000 2.553 11 G HA2 0.315 4.275 3.960 -0.000 0.000 0.242 11 G HA3 0.315 4.275 3.960 -0.000 0.000 0.242 11 G C 0.753 175.273 174.900 -0.633 0.000 1.277 11 G CA 0.379 45.363 45.100 -0.194 0.000 0.910 11 G HN 2.550 nan 8.290 nan 0.000 0.576 12 G N -2.006 106.393 108.800 -0.669 0.000 2.198 12 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.257 12 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.257 12 G C 0.395 174.950 174.900 -0.576 0.000 1.042 12 G CA 1.320 45.791 45.100 -1.048 0.000 0.791 12 G HN 1.718 nan 8.290 nan 0.000 0.502 13 H N 0.363 119.340 119.070 -0.155 0.000 2.488 13 H HA 0.237 4.793 4.556 -0.000 0.000 0.294 13 H C 0.526 175.818 175.328 -0.059 0.000 1.088 13 H CA -0.158 55.835 56.048 -0.091 0.000 1.086 13 H CB 0.410 30.139 29.762 -0.055 0.000 1.569 13 H HN 0.459 nan 8.280 nan 0.000 0.548 14 D N 0.239 120.653 120.400 0.024 0.000 2.529 14 D HA 0.059 4.699 4.640 -0.000 0.000 0.273 14 D C 1.337 177.640 176.300 0.007 0.000 1.197 14 D CA -0.507 53.513 54.000 0.033 0.000 1.070 14 D CB 1.453 42.282 40.800 0.049 0.000 1.134 14 D HN 0.163 nan 8.370 nan 0.000 0.590 15 E N -0.367 119.835 120.200 0.003 0.000 2.136 15 E HA -0.237 4.113 4.350 -0.000 0.000 0.202 15 E C 0.258 176.660 176.600 -0.329 0.000 1.019 15 E CA 1.503 57.825 56.400 -0.130 0.000 0.819 15 E CB -0.166 29.502 29.700 -0.054 0.000 0.739 15 E HN 0.391 nan 8.360 nan 0.000 0.458 16 H N -1.175 117.912 119.070 0.028 0.000 2.528 16 H HA 0.337 4.893 4.556 -0.000 0.000 0.256 16 H C 0.627 175.969 175.328 0.024 0.000 1.204 16 H CA 0.079 56.148 56.048 0.036 0.000 0.955 16 H CB 0.784 30.582 29.762 0.060 0.000 1.817 16 H HN 0.349 nan 8.280 nan 0.000 0.579 17 G N 0.712 109.531 108.800 0.032 0.000 2.543 17 G HA2 -0.431 3.529 3.960 -0.000 0.000 0.286 17 G HA3 -0.431 3.529 3.960 -0.000 0.000 0.286 17 G C 0.703 175.522 174.900 -0.134 0.000 1.153 17 G CA 0.656 45.703 45.100 -0.088 0.000 0.968 17 G HN 0.599 nan 8.290 nan 0.000 0.544 18 H N 0.724 119.845 119.070 0.085 0.000 2.539 18 H HA 0.438 4.994 4.556 -0.000 0.000 0.267 18 H C 2.421 177.831 175.328 0.137 0.000 0.982 18 H CA 0.552 56.653 56.048 0.089 0.000 1.146 18 H CB 0.190 30.025 29.762 0.121 0.000 1.382 18 H HN 0.333 nan 8.280 nan 0.000 0.577 19 L N 0.612 121.979 121.223 0.240 0.000 1.989 19 L HA -0.244 4.096 4.340 -0.000 0.000 0.211 19 L C 1.844 178.846 176.870 0.221 0.000 1.071 19 L CA 1.598 56.585 54.840 0.245 0.000 0.749 19 L CB 0.041 42.219 42.059 0.199 0.000 0.890 19 L HN 0.253 nan 8.230 nan 0.000 0.431 20 E N -0.058 120.239 120.200 0.161 0.000 2.097 20 E HA -0.320 4.030 4.350 -0.000 0.000 0.196 20 E C 1.911 178.571 176.600 0.100 0.000 1.000 20 E CA 1.819 58.287 56.400 0.114 0.000 0.804 20 E CB -0.209 29.546 29.700 0.093 0.000 0.740 20 E HN 0.578 nan 8.360 nan 0.000 0.454 21 E N -0.724 119.544 120.200 0.113 0.000 2.107 21 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 21 E C 1.748 178.392 176.600 0.074 0.000 0.982 21 E CA 0.482 56.930 56.400 0.080 0.000 0.809 21 E CB -0.222 29.529 29.700 0.085 0.000 0.756 21 E HN 0.270 nan 8.360 nan 0.000 0.459 22 F N 1.770 121.702 119.950 -0.030 0.000 2.269 22 F HA -0.029 4.498 4.527 -0.000 0.000 0.301 22 F C 1.821 177.607 175.800 -0.022 0.000 1.082 22 F CA 1.170 59.125 58.000 -0.075 0.000 1.360 22 F CB 0.173 39.146 39.000 -0.045 0.000 1.041 22 F HN -0.077 nan 8.300 nan 0.000 0.512 23 R N -0.737 119.786 120.500 0.038 0.000 2.320 23 R HA 0.071 4.411 4.340 -0.000 0.000 0.211 23 R C 1.293 177.572 176.300 -0.035 0.000 0.931 23 R CA 1.127 57.216 56.100 -0.018 0.000 1.071 23 R CB -0.237 30.089 30.300 0.043 0.000 1.025 23 R HN 0.421 nan 8.270 nan 0.000 0.495 24 T N -4.078 110.449 114.554 -0.045 0.000 3.250 24 T HA 0.032 4.382 4.350 -0.000 0.000 0.265 24 T C 0.374 175.059 174.700 -0.026 0.000 0.973 24 T CA -0.076 62.016 62.100 -0.014 0.000 1.040 24 T CB 0.370 69.239 68.868 0.003 0.000 1.167 24 T HN -0.057 nan 8.240 nan 0.000 0.471 25 D N 2.796 123.142 120.400 -0.091 0.000 2.656 25 D HA 0.360 5.000 4.640 -0.000 0.000 0.303 25 D C -1.780 174.376 176.300 -0.240 0.000 1.199 25 D CA -2.144 51.771 54.000 -0.140 0.000 0.797 25 D CB 1.395 42.152 40.800 -0.071 0.000 1.170 25 D HN 0.063 nan 8.370 nan 0.000 0.509 26 P HA -0.149 nan 4.420 nan 0.000 0.215 26 P C 1.798 178.898 177.300 -0.334 0.000 1.157 26 P CA 0.790 63.579 63.100 -0.519 0.000 0.868 26 P CB 0.651 31.750 31.700 -1.000 0.000 0.788 27 I N -0.031 120.314 120.570 -0.376 0.000 2.226 27 I HA -0.168 4.002 4.170 -0.000 0.000 0.245 27 I C 2.789 178.811 176.117 -0.157 0.000 1.100 27 I CA 1.794 62.949 61.300 -0.243 0.000 1.374 27 I CB -1.374 36.468 38.000 -0.263 0.000 1.057 27 I HN 0.014 nan 8.210 nan 0.000 0.413 28 G N 1.227 109.935 108.800 -0.153 0.000 2.440 28 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.218 28 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.218 28 G C 1.658 176.503 174.900 -0.092 0.000 1.154 28 G CA 0.805 45.848 45.100 -0.094 0.000 0.767 28 G HN 0.281 nan 8.290 nan 0.000 0.552 29 L N 0.432 121.579 121.223 -0.126 0.000 2.017 29 L HA 0.066 4.406 4.340 -0.000 0.000 0.208 29 L C 2.834 179.597 176.870 -0.178 0.000 1.073 29 L CA 1.822 56.571 54.840 -0.153 0.000 0.745 29 L CB -0.427 41.514 42.059 -0.197 0.000 0.894 29 L HN 0.246 nan 8.230 nan 0.000 0.432 30 M N -1.220 118.274 119.600 -0.175 0.000 2.213 30 M HA -0.197 4.283 4.480 -0.000 0.000 0.263 30 M C 2.271 178.544 176.300 -0.045 0.000 1.062 30 M CA 1.647 56.884 55.300 -0.104 0.000 1.105 30 M CB -0.364 32.206 32.600 -0.049 0.000 1.385 30 M HN 0.371 nan 8.290 nan 0.000 0.417 31 Q N 0.944 120.718 119.800 -0.044 0.000 2.046 31 Q HA -0.143 4.197 4.340 -0.000 0.000 0.200 31 Q C 1.929 177.923 176.000 -0.010 0.000 0.975 31 Q CA 1.756 57.552 55.803 -0.012 0.000 0.836 31 Q CB -0.278 28.459 28.738 -0.003 0.000 0.896 31 Q HN 0.379 nan 8.270 nan 0.000 0.428 32 R N -0.813 119.671 120.500 -0.026 0.000 2.120 32 R HA -0.096 4.243 4.340 -0.000 0.000 0.234 32 R C 1.895 178.185 176.300 -0.017 0.000 1.123 32 R CA 1.283 57.372 56.100 -0.018 0.000 0.975 32 R CB -0.144 30.142 30.300 -0.024 0.000 0.866 32 R HN 0.229 nan 8.270 nan 0.000 0.446 33 V N 0.716 120.614 119.914 -0.027 0.000 2.295 33 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 33 V C 2.524 178.617 176.094 -0.002 0.000 1.049 33 V CA 2.203 64.496 62.300 -0.012 0.000 1.024 33 V CB -0.606 31.230 31.823 0.022 0.000 0.648 33 V HN 0.406 nan 8.190 nan 0.000 0.447 34 R N -0.109 120.394 120.500 0.006 0.000 2.092 34 R HA -0.157 4.183 4.340 -0.000 0.000 0.231 34 R C 1.978 178.287 176.300 0.015 0.000 1.119 34 R CA 1.742 57.849 56.100 0.013 0.000 0.970 34 R CB -0.259 30.053 30.300 0.021 0.000 0.864 34 R HN 0.515 nan 8.270 nan 0.000 0.440 35 D N 0.328 120.736 120.400 0.014 0.000 2.144 35 D HA -0.129 4.511 4.640 -0.000 0.000 0.200 35 D C 1.443 177.753 176.300 0.016 0.000 0.978 35 D CA 1.279 55.289 54.000 0.018 0.000 0.833 35 D CB 0.053 40.864 40.800 0.019 0.000 0.961 35 D HN 0.464 nan 8.370 nan 0.000 0.470 36 E N -0.395 119.812 120.200 0.012 0.000 2.216 36 E HA 0.111 4.461 4.350 -0.000 0.000 0.192 36 E C 1.883 178.490 176.600 0.012 0.000 0.973 36 E CA 0.287 56.695 56.400 0.013 0.000 0.851 36 E CB 0.479 30.187 29.700 0.013 0.000 0.804 36 E HN 0.227 nan 8.360 nan 0.000 0.477 37 L N -0.961 120.264 121.223 0.003 0.000 2.642 37 L HA 0.336 4.676 4.340 -0.000 0.000 0.233 37 L C 1.179 178.049 176.870 -0.001 0.000 1.077 37 L CA 0.193 55.029 54.840 -0.007 0.000 0.879 37 L CB 0.497 42.534 42.059 -0.037 0.000 1.151 37 L HN 0.204 nan 8.230 nan 0.000 0.495 38 G N 0.988 109.792 108.800 0.007 0.000 2.475 38 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.223 38 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.223 38 G C -0.152 174.757 174.900 0.016 0.000 1.201 38 G CA 0.118 45.231 45.100 0.021 0.000 0.962 38 G HN 0.095 nan 8.290 nan 0.000 0.586 39 D N -0.097 120.324 120.400 0.035 0.000 2.310 39 D HA 0.207 4.846 4.640 -0.000 0.000 0.212 39 D C 1.050 177.350 176.300 -0.001 0.000 0.965 39 D CA 1.653 55.676 54.000 0.039 0.000 0.879 39 D CB 0.211 41.062 40.800 0.084 0.000 0.921 39 D HN 0.517 nan 8.370 nan 0.000 0.510 40 V N 0.182 120.060 119.914 -0.059 0.000 2.445 40 V HA 0.694 4.814 4.120 -0.000 0.000 0.283 40 V C 0.378 176.322 176.094 -0.249 0.000 1.014 40 V CA -0.759 61.442 62.300 -0.164 0.000 0.852 40 V CB 1.707 33.390 31.823 -0.233 0.000 1.021 40 V HN 0.069 nan 8.190 nan 0.000 0.435 41 G N 2.289 111.000 108.800 -0.148 0.000 2.694 41 G HA2 0.867 4.827 3.960 -0.000 0.000 0.290 41 G HA3 0.867 4.827 3.960 -0.000 0.000 0.290 41 G C -0.688 174.150 174.900 -0.104 0.000 1.386 41 G CA -0.145 44.880 45.100 -0.125 0.000 0.872 41 G HN 0.741 nan 8.290 nan 0.000 0.475 42 T N -2.108 112.388 114.554 -0.098 0.000 2.883 42 T HA 0.821 5.171 4.350 -0.000 0.000 0.296 42 T C -0.894 173.744 174.700 -0.103 0.000 1.117 42 T CA -0.783 61.219 62.100 -0.163 0.000 1.006 42 T CB 1.817 70.575 68.868 -0.182 0.000 1.191 42 T HN 1.352 nan 8.240 nan 0.000 0.508 43 F N -0.762 119.052 119.950 -0.226 0.000 2.629 43 F HA 0.844 5.371 4.527 -0.000 0.000 0.316 43 F C -0.732 175.023 175.800 -0.075 0.000 1.081 43 F CA -1.433 56.346 58.000 -0.369 0.000 0.954 43 F CB 1.708 40.363 39.000 -0.575 0.000 1.337 43 F HN 0.681 nan 8.300 nan 0.000 0.474 44 Q N 1.501 121.622 119.800 0.534 0.000 2.290 44 Q HA 0.580 4.920 4.340 -0.000 0.000 0.259 44 Q C -1.863 174.269 176.000 0.220 0.000 0.941 44 Q CA -0.416 55.545 55.803 0.264 0.000 0.912 44 Q CB 1.599 30.471 28.738 0.224 0.000 1.244 44 Q HN 0.784 nan 8.270 nan 0.000 0.441 45 L N 3.992 125.241 121.223 0.044 0.000 2.387 45 L HA 0.578 4.918 4.340 -0.000 0.000 0.259 45 L C -0.395 176.528 176.870 0.087 0.000 1.050 45 L CA 0.250 55.113 54.840 0.039 0.000 0.922 45 L CB 0.665 42.629 42.059 -0.159 0.000 1.280 45 L HN 0.875 nan 8.230 nan 0.000 0.449 46 A N 2.827 125.748 122.820 0.169 0.000 2.415 46 A HA 0.063 4.383 4.320 -0.000 0.000 0.292 46 A C 1.596 179.276 177.584 0.160 0.000 1.452 46 A CA 1.379 53.560 52.037 0.241 0.000 0.750 46 A CB -1.742 17.421 19.000 0.271 0.000 1.099 46 A HN 1.759 nan 8.150 nan 0.000 0.391 47 G N -1.278 107.578 108.800 0.094 0.000 2.284 47 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.230 47 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.230 47 G C 0.189 175.103 174.900 0.024 0.000 1.021 47 G CA 0.578 45.713 45.100 0.058 0.000 0.619 47 G HN 1.082 nan 8.290 nan 0.000 0.510 48 K N 1.406 121.813 120.400 0.012 0.000 2.227 48 K HA 0.397 4.717 4.320 -0.000 0.000 0.280 48 K C 0.177 176.697 176.600 -0.133 0.000 1.041 48 K CA -0.389 55.867 56.287 -0.051 0.000 0.905 48 K CB 1.626 34.090 32.500 -0.060 0.000 1.068 48 K HN 0.596 nan 8.250 nan 0.000 0.470 49 Q N 2.473 122.186 119.800 -0.146 0.000 2.296 49 Q HA 0.245 4.585 4.340 -0.000 0.000 0.257 49 Q C -1.055 174.749 176.000 -0.328 0.000 0.942 49 Q CA -0.545 55.133 55.803 -0.209 0.000 0.939 49 Q CB 1.054 29.712 28.738 -0.133 0.000 1.198 49 Q HN 0.245 nan 8.270 nan 0.000 0.429 50 V N 5.138 124.703 119.914 -0.583 0.000 2.350 50 V HA 0.233 4.352 4.120 -0.000 0.000 0.276 50 V C -0.261 175.475 176.094 -0.598 0.000 1.028 50 V CA -0.703 61.163 62.300 -0.723 0.000 0.860 50 V CB 1.564 32.571 31.823 -1.360 0.000 0.990 50 V HN 0.619 nan 8.190 nan 0.000 0.453 51 V N 6.813 126.540 119.914 -0.312 0.000 2.353 51 V HA 0.260 4.380 4.120 -0.000 0.000 0.264 51 V C -0.042 175.972 176.094 -0.133 0.000 1.049 51 V CA -0.314 61.873 62.300 -0.189 0.000 0.896 51 V CB 1.200 32.974 31.823 -0.083 0.000 1.025 51 V HN 0.636 nan 8.190 nan 0.000 0.475 52 L N 7.684 128.839 121.223 -0.113 0.000 2.260 52 L HA 0.512 4.852 4.340 -0.000 0.000 0.289 52 L C -0.315 176.533 176.870 -0.036 0.000 1.057 52 L CA 0.417 55.242 54.840 -0.025 0.000 0.811 52 L CB 0.688 42.811 42.059 0.106 0.000 1.184 52 L HN 0.464 nan 8.230 nan 0.000 0.429 53 L N 4.665 125.854 121.223 -0.058 0.000 2.360 53 L HA 0.783 5.123 4.340 -0.000 0.000 0.271 53 L C 0.028 176.869 176.870 -0.048 0.000 1.057 53 L CA -0.457 54.352 54.840 -0.051 0.000 0.803 53 L CB 1.682 43.715 42.059 -0.043 0.000 1.207 53 L HN 0.818 nan 8.230 nan 0.000 0.445 54 S N 0.223 115.922 115.700 -0.002 0.000 2.543 54 S HA 0.846 5.316 4.470 -0.000 0.000 0.274 54 S C -0.543 174.099 174.600 0.070 0.000 1.149 54 S CA -0.239 57.981 58.200 0.033 0.000 0.866 54 S CB 1.770 64.990 63.200 0.033 0.000 1.111 54 S HN 1.367 nan 8.310 nan 0.000 0.457 55 G N 0.956 109.819 108.800 0.105 0.000 2.675 55 G HA2 0.104 4.064 3.960 -0.000 0.000 0.686 55 G HA3 0.104 4.064 3.960 -0.000 0.000 0.686 55 G C 0.486 175.490 174.900 0.174 0.000 1.215 55 G CA 0.161 45.336 45.100 0.125 0.000 0.777 55 G HN 1.755 nan 8.290 nan 0.000 0.638 56 S N -0.260 115.561 115.700 0.203 0.000 2.372 56 S HA -0.278 4.192 4.470 -0.000 0.000 0.227 56 S C 1.967 176.690 174.600 0.206 0.000 1.044 56 S CA 2.680 61.050 58.200 0.284 0.000 1.050 56 S CB -0.384 62.987 63.200 0.285 0.000 0.901 56 S HN 1.367 nan 8.310 nan 0.000 0.447 57 H N 1.010 120.128 119.070 0.080 0.000 2.293 57 H HA 0.093 4.649 4.556 -0.000 0.000 0.300 57 H C 2.172 177.518 175.328 0.030 0.000 1.082 57 H CA 2.161 58.223 56.048 0.024 0.000 1.308 57 H CB -0.914 28.863 29.762 0.025 0.000 1.375 57 H HN 0.391 nan 8.280 nan 0.000 0.495 58 A N 0.428 123.202 122.820 -0.076 0.000 1.902 58 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 58 A C 2.260 179.846 177.584 0.002 0.000 1.181 58 A CA 1.708 53.686 52.037 -0.099 0.000 0.623 58 A CB -0.471 18.526 19.000 -0.004 0.000 0.818 58 A HN 0.549 nan 8.150 nan 0.000 0.443 59 N N -0.219 118.518 118.700 0.062 0.000 2.166 59 N HA -0.142 4.598 4.740 -0.000 0.000 0.186 59 N C 1.674 177.273 175.510 0.148 0.000 1.019 59 N CA 1.450 54.601 53.050 0.169 0.000 0.856 59 N CB -0.384 38.344 38.487 0.401 0.000 0.993 59 N HN 0.728 nan 8.380 nan 0.000 0.426 60 E N -0.393 119.699 120.200 -0.180 0.000 2.077 60 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 60 E C 1.708 178.051 176.600 -0.427 0.000 0.989 60 E CA 0.683 56.616 56.400 -0.777 0.000 0.800 60 E CB -0.147 28.933 29.700 -1.034 0.000 0.746 60 E HN 0.313 nan 8.360 nan 0.000 0.452 61 F N 0.479 120.198 119.950 -0.385 0.000 2.095 61 F HA -0.255 4.271 4.527 -0.000 0.000 0.298 61 F C 1.916 177.587 175.800 -0.215 0.000 1.104 61 F CA 1.741 59.558 58.000 -0.305 0.000 1.232 61 F CB -0.561 38.257 39.000 -0.304 0.000 0.987 61 F HN 0.085 nan 8.300 nan 0.000 0.475 62 F N 0.240 120.036 119.950 -0.258 0.000 2.026 62 F HA -0.264 4.263 4.527 -0.000 0.000 0.296 62 F C 1.981 177.506 175.800 -0.458 0.000 1.133 62 F CA 2.129 59.886 58.000 -0.405 0.000 1.188 62 F CB -0.872 37.845 39.000 -0.472 0.000 0.968 62 F HN -0.044 nan 8.300 nan 0.000 0.476 63 F N 0.336 120.395 119.950 0.182 0.000 2.451 63 F HA -0.002 4.525 4.527 -0.000 0.000 0.299 63 F C 2.221 177.985 175.800 -0.060 0.000 1.101 63 F CA 0.944 59.031 58.000 0.145 0.000 1.436 63 F CB -0.610 38.630 39.000 0.399 0.000 1.074 63 F HN -0.073 nan 8.300 nan 0.000 0.553 64 R N -0.129 120.300 120.500 -0.119 0.000 2.254 64 R HA 0.320 4.660 4.340 -0.000 0.000 0.195 64 R C 0.976 177.102 176.300 -0.290 0.000 0.957 64 R CA 0.246 56.237 56.100 -0.182 0.000 1.024 64 R CB -0.079 30.069 30.300 -0.255 0.000 0.952 64 R HN 0.107 nan 8.270 nan 0.000 0.484 65 A N 1.210 123.745 122.820 -0.475 0.000 2.483 65 A HA 0.389 4.709 4.320 -0.000 0.000 0.238 65 A C 0.575 177.988 177.584 -0.285 0.000 1.070 65 A CA 0.215 51.931 52.037 -0.535 0.000 0.770 65 A CB 0.212 18.728 19.000 -0.807 0.000 1.008 65 A HN 0.300 nan 8.150 nan 0.000 0.497 66 G N 0.210 108.880 108.800 -0.217 0.000 2.537 66 G HA2 0.397 4.357 3.960 -0.000 0.000 0.273 66 G HA3 0.397 4.357 3.960 -0.000 0.000 0.273 66 G C 0.220 175.082 174.900 -0.062 0.000 1.189 66 G CA 0.230 45.281 45.100 -0.082 0.000 0.881 66 G HN 0.820 nan 8.290 nan 0.000 0.535 67 D N -0.955 119.456 120.400 0.018 0.000 2.378 67 D HA -0.089 4.551 4.640 -0.000 0.000 0.227 67 D C 1.226 177.511 176.300 -0.024 0.000 1.012 67 D CA 0.911 54.896 54.000 -0.026 0.000 0.905 67 D CB 0.164 40.947 40.800 -0.028 0.000 0.895 67 D HN 0.501 nan 8.370 nan 0.000 0.532 68 D N -0.344 120.046 120.400 -0.015 0.000 2.346 68 D HA -0.087 4.553 4.640 -0.000 0.000 0.206 68 D C 0.629 176.953 176.300 0.041 0.000 1.001 68 D CA 0.246 54.252 54.000 0.009 0.000 0.871 68 D CB 0.128 40.936 40.800 0.012 0.000 0.943 68 D HN 0.085 nan 8.370 nan 0.000 0.518 69 D N 0.369 120.770 120.400 0.002 0.000 2.615 69 D HA 0.210 4.850 4.640 -0.000 0.000 0.259 69 D C 0.557 176.890 176.300 0.056 0.000 0.999 69 D CA 0.217 54.268 54.000 0.084 0.000 0.938 69 D CB 1.404 42.060 40.800 -0.240 0.000 1.121 69 D HN 0.159 nan 8.370 nan 0.000 0.487 70 L N 1.856 122.998 121.223 -0.136 0.000 2.342 70 L HA 0.334 4.673 4.340 -0.000 0.000 0.276 70 L C -0.580 176.202 176.870 -0.146 0.000 0.997 70 L CA -0.555 54.187 54.840 -0.165 0.000 0.838 70 L CB 2.320 44.142 42.059 -0.395 0.000 1.224 70 L HN -0.160 nan 8.230 nan 0.000 0.416 71 D N 2.408 122.756 120.400 -0.087 0.000 2.193 71 D HA 0.106 4.746 4.640 -0.000 0.000 0.244 71 D C 0.210 176.454 176.300 -0.094 0.000 1.064 71 D CA -0.166 53.785 54.000 -0.081 0.000 0.845 71 D CB 2.506 43.281 40.800 -0.042 0.000 1.148 71 D HN 0.600 nan 8.370 nan 0.000 0.464 72 Q N 3.213 122.959 119.800 -0.090 0.000 2.165 72 Q HA -0.014 4.326 4.340 -0.000 0.000 0.197 72 Q C 1.818 177.804 176.000 -0.024 0.000 0.952 72 Q CA 0.835 56.607 55.803 -0.052 0.000 0.848 72 Q CB 0.071 28.813 28.738 0.008 0.000 0.931 72 Q HN 0.619 nan 8.270 nan 0.000 0.470 73 A N 2.660 125.473 122.820 -0.012 0.000 1.894 73 A HA -0.310 4.010 4.320 -0.000 0.000 0.220 73 A C 1.919 179.483 177.584 -0.034 0.000 1.237 73 A CA 2.556 54.595 52.037 0.002 0.000 0.660 73 A CB -0.874 18.122 19.000 -0.006 0.000 0.835 73 A HN 0.576 nan 8.150 nan 0.000 0.461 74 K N -0.417 119.950 120.400 -0.056 0.000 2.525 74 K HA 0.424 4.744 4.320 -0.000 0.000 0.192 74 K C 1.451 177.985 176.600 -0.110 0.000 1.029 74 K CA 0.815 57.058 56.287 -0.073 0.000 1.029 74 K CB -0.200 32.272 32.500 -0.046 0.000 0.814 74 K HN 0.333 nan 8.250 nan 0.000 0.503 75 A N 0.722 123.432 122.820 -0.182 0.000 2.169 75 A HA 0.026 4.346 4.320 -0.000 0.000 0.212 75 A C -0.151 177.161 177.584 -0.454 0.000 1.153 75 A CA 0.290 52.136 52.037 -0.317 0.000 0.756 75 A CB -0.262 18.447 19.000 -0.485 0.000 0.813 75 A HN 0.375 nan 8.150 nan 0.000 0.471 76 Y N -0.286 119.893 120.300 -0.202 0.000 2.787 76 Y HA 0.291 4.841 4.550 -0.000 0.000 0.352 76 Y C -1.754 173.612 175.900 -0.891 0.000 1.027 76 Y CA -2.595 55.124 58.100 -0.634 0.000 1.219 76 Y CB 0.849 38.809 38.460 -0.833 0.000 1.110 76 Y HN 0.151 nan 8.280 nan 0.000 0.614 77 P HA -0.227 nan 4.420 nan 0.000 0.219 77 P C 1.269 178.261 177.300 -0.514 0.000 1.146 77 P CA 1.480 64.315 63.100 -0.441 0.000 0.808 77 P CB -0.094 31.407 31.700 -0.331 0.000 0.779 78 F N -2.365 117.353 119.950 -0.388 0.000 2.641 78 F HA 0.058 4.585 4.527 -0.000 0.000 0.298 78 F C 1.874 177.380 175.800 -0.491 0.000 1.146 78 F CA 0.411 58.135 58.000 -0.461 0.000 1.464 78 F CB -1.440 37.349 39.000 -0.352 0.000 1.101 78 F HN -0.266 nan 8.300 nan 0.000 0.585 79 M N 0.535 119.626 119.600 -0.849 0.000 2.447 79 M HA -0.024 4.456 4.480 -0.000 0.000 0.264 79 M C 1.907 177.770 176.300 -0.728 0.000 1.095 79 M CA 0.951 55.689 55.300 -0.936 0.000 1.125 79 M CB -1.572 30.385 32.600 -1.072 0.000 1.389 79 M HN 0.177 nan 8.290 nan 0.000 0.459 80 T N 1.466 115.740 114.554 -0.467 0.000 2.652 80 T HA -0.085 4.264 4.350 -0.000 0.000 0.267 80 T C -0.675 173.904 174.700 -0.203 0.000 1.039 80 T CA 1.455 63.404 62.100 -0.252 0.000 1.153 80 T CB -1.349 67.432 68.868 -0.144 0.000 0.863 80 T HN 0.205 nan 8.240 nan 0.000 0.428 81 P HA 0.095 nan 4.420 nan 0.000 0.222 81 P C 1.198 178.381 177.300 -0.196 0.000 1.147 81 P CA 0.768 63.722 63.100 -0.244 0.000 0.790 81 P CB -0.147 31.252 31.700 -0.502 0.000 0.780 82 I N -2.473 117.923 120.570 -0.291 0.000 2.296 82 I HA -0.147 4.023 4.170 -0.000 0.000 0.242 82 I C 1.900 177.997 176.117 -0.034 0.000 1.087 82 I CA 1.142 62.295 61.300 -0.245 0.000 1.393 82 I CB -0.561 37.160 38.000 -0.464 0.000 1.093 82 I HN -0.161 nan 8.210 nan 0.000 0.421 83 F N 1.284 121.122 119.950 -0.188 0.000 2.206 83 F HA 0.211 4.738 4.527 -0.000 0.000 0.298 83 F C 1.518 177.268 175.800 -0.084 0.000 1.090 83 F CA 0.714 58.636 58.000 -0.129 0.000 1.323 83 F CB -1.255 37.663 39.000 -0.136 0.000 1.028 83 F HN 0.199 nan 8.300 nan 0.000 0.492 96 R N 0.464 120.969 120.500 0.008 0.000 2.377 96 R HA 0.137 4.477 4.340 -0.000 0.000 0.207 96 R C 2.325 178.628 176.300 0.005 0.000 1.075 96 R CA 2.403 58.496 56.100 -0.012 0.000 1.035 96 R CB -1.585 28.683 30.300 -0.053 0.000 0.857 96 R HN 1.687 nan 8.270 nan 0.000 0.475 97 K N 1.036 121.453 120.400 0.028 0.000 2.288 97 K HA -0.021 4.299 4.320 -0.000 0.000 0.201 97 K C 1.798 178.438 176.600 0.065 0.000 1.048 97 K CA 1.217 57.532 56.287 0.046 0.000 0.956 97 K CB -0.008 32.523 32.500 0.053 0.000 0.746 97 K HN 0.606 nan 8.250 nan 0.000 0.461 98 E N -0.450 119.787 120.200 0.062 0.000 2.230 98 E HA -0.031 4.319 4.350 -0.000 0.000 0.192 98 E C 2.004 178.653 176.600 0.081 0.000 0.987 98 E CA 1.188 57.646 56.400 0.097 0.000 0.841 98 E CB -0.160 29.584 29.700 0.074 0.000 0.783 98 E HN 0.614 nan 8.360 nan 0.000 0.481 99 M N 0.683 120.306 119.600 0.038 0.000 2.159 99 M HA -0.079 4.401 4.480 -0.000 0.000 0.263 99 M C 1.889 178.191 176.300 0.003 0.000 1.063 99 M CA 1.196 56.502 55.300 0.010 0.000 1.110 99 M CB -0.204 32.385 32.600 -0.019 0.000 1.374 99 M HN 0.136 nan 8.290 nan 0.000 0.411 100 L N -0.844 120.386 121.223 0.012 0.000 2.209 100 L HA -0.019 4.321 4.340 -0.000 0.000 0.207 100 L C 2.374 179.248 176.870 0.008 0.000 1.094 100 L CA 1.906 56.740 54.840 -0.011 0.000 0.790 100 L CB -0.910 41.142 42.059 -0.012 0.000 0.932 100 L HN 0.581 nan 8.230 nan 0.000 0.447 101 H N -0.592 118.459 119.070 -0.032 0.000 2.307 101 H HA -0.045 4.511 4.556 -0.000 0.000 0.303 101 H C 1.961 177.284 175.328 -0.008 0.000 1.073 101 H CA 2.045 58.081 56.048 -0.020 0.000 1.338 101 H CB -0.010 29.752 29.762 -0.001 0.000 1.389 101 H HN 0.285 nan 8.280 nan 0.000 0.503 102 N N 0.209 118.851 118.700 -0.098 0.000 2.289 102 N HA -0.093 4.647 4.740 -0.000 0.000 0.184 102 N C 1.720 177.164 175.510 -0.109 0.000 1.016 102 N CA 1.081 54.047 53.050 -0.140 0.000 0.872 102 N CB -0.143 38.336 38.487 -0.012 0.000 0.973 102 N HN 0.521 nan 8.380 nan 0.000 0.433 103 A N 0.100 122.877 122.820 -0.071 0.000 1.943 103 A HA 0.394 4.714 4.320 -0.000 0.000 0.213 103 A C 1.904 179.461 177.584 -0.046 0.000 1.181 103 A CA 1.308 53.316 52.037 -0.050 0.000 0.653 103 A CB 0.099 19.078 19.000 -0.035 0.000 0.833 103 A HN 0.280 nan 8.150 nan 0.000 0.451 104 A N -1.509 121.270 122.820 -0.068 0.000 2.427 104 A HA 0.495 4.815 4.320 -0.000 0.000 0.225 104 A C 0.952 178.537 177.584 0.003 0.000 1.257 104 A CA -0.055 51.965 52.037 -0.028 0.000 0.985 104 A CB 0.230 19.130 19.000 -0.166 0.000 1.136 104 A HN 0.265 nan 8.150 nan 0.000 0.538 105 L N 1.052 122.221 121.223 -0.090 0.000 2.928 105 L HA 0.297 4.637 4.340 -0.000 0.000 0.246 105 L C 0.075 176.886 176.870 -0.098 0.000 1.239 105 L CA -0.284 54.535 54.840 -0.035 0.000 1.035 105 L CB -0.087 42.007 42.059 0.058 0.000 1.360 105 L HN 0.198 nan 8.230 nan 0.000 0.529 106 R N 0.173 120.594 120.500 -0.131 0.000 2.438 106 R HA 0.180 4.520 4.340 -0.000 0.000 0.287 106 R C 1.446 177.734 176.300 -0.019 0.000 1.077 106 R CA 0.283 56.303 56.100 -0.134 0.000 1.034 106 R CB 1.086 31.311 30.300 -0.124 0.000 0.993 106 R HN 0.193 nan 8.270 nan 0.000 0.459 107 G N 2.749 111.551 108.800 0.003 0.000 2.503 107 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.221 107 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.221 107 G C 0.989 175.889 174.900 0.000 0.000 1.131 107 G CA 1.046 46.159 45.100 0.021 0.000 0.756 107 G HN 0.812 nan 8.290 nan 0.000 0.572 108 E N -0.081 120.107 120.200 -0.020 0.000 2.338 108 E HA -0.092 4.258 4.350 -0.000 0.000 0.197 108 E C 2.109 178.668 176.600 -0.068 0.000 1.007 108 E CA 0.796 57.175 56.400 -0.036 0.000 0.849 108 E CB -0.204 29.475 29.700 -0.036 0.000 0.774 108 E HN 0.540 nan 8.360 nan 0.000 0.506 109 Q N -0.372 119.376 119.800 -0.087 0.000 2.408 109 Q HA 0.097 4.437 4.340 -0.000 0.000 0.205 109 Q C 1.839 177.654 176.000 -0.308 0.000 0.919 109 Q CA 0.107 55.768 55.803 -0.237 0.000 0.932 109 Q CB 0.165 28.764 28.738 -0.232 0.000 1.058 109 Q HN 0.284 nan 8.270 nan 0.000 0.517 110 M N 0.838 120.417 119.600 -0.035 0.000 2.080 110 M HA -0.216 4.264 4.480 -0.000 0.000 0.260 110 M C 2.034 178.347 176.300 0.022 0.000 1.068 110 M CA 1.682 57.032 55.300 0.084 0.000 1.109 110 M CB -0.823 31.830 32.600 0.089 0.000 1.342 110 M HN 0.102 nan 8.290 nan 0.000 0.405 111 K N -0.282 120.103 120.400 -0.025 0.000 2.063 111 K HA -0.142 4.178 4.320 -0.000 0.000 0.208 111 K C 1.997 178.587 176.600 -0.017 0.000 1.048 111 K CA 1.643 57.923 56.287 -0.013 0.000 0.928 111 K CB -0.373 32.119 32.500 -0.014 0.000 0.713 111 K HN 0.424 nan 8.250 nan 0.000 0.442 112 G N 0.133 108.881 108.800 -0.086 0.000 2.402 112 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.216 112 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.216 112 G C 1.160 176.057 174.900 -0.004 0.000 1.162 112 G CA 0.749 45.798 45.100 -0.085 0.000 0.777 112 G HN 0.328 nan 8.290 nan 0.000 0.539 113 H N 1.055 120.172 119.070 0.078 0.000 2.352 113 H HA -0.002 4.554 4.556 -0.000 0.000 0.299 113 H C 2.919 178.274 175.328 0.044 0.000 1.097 113 H CA 1.155 57.274 56.048 0.119 0.000 1.311 113 H CB -0.762 29.163 29.762 0.272 0.000 1.377 113 H HN 0.374 nan 8.280 nan 0.000 0.504 114 A N 1.210 124.106 122.820 0.127 0.000 1.883 114 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 114 A C 2.739 180.357 177.584 0.057 0.000 1.186 114 A CA 2.145 54.214 52.037 0.053 0.000 0.624 114 A CB -0.985 18.040 19.000 0.041 0.000 0.822 114 A HN 0.452 nan 8.150 nan 0.000 0.444 115 A N -1.191 121.665 122.820 0.060 0.000 1.902 115 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 115 A C 2.319 179.931 177.584 0.046 0.000 1.181 115 A CA 2.371 54.438 52.037 0.049 0.000 0.623 115 A CB -1.334 17.690 19.000 0.039 0.000 0.818 115 A HN 0.441 nan 8.150 nan 0.000 0.443 116 T N 0.404 114.999 114.554 0.069 0.000 2.708 116 T HA -0.119 4.230 4.350 -0.000 0.000 0.266 116 T C 1.795 176.526 174.700 0.051 0.000 1.037 116 T CA 1.592 63.734 62.100 0.070 0.000 1.146 116 T CB -0.450 68.496 68.868 0.131 0.000 0.865 116 T HN 0.435 nan 8.240 nan 0.000 0.435 117 I N 0.965 121.568 120.570 0.055 0.000 2.163 117 I HA -0.208 3.962 4.170 -0.000 0.000 0.243 117 I C 2.746 178.863 176.117 0.000 0.000 1.085 117 I CA 1.564 62.875 61.300 0.018 0.000 1.347 117 I CB -0.421 37.565 38.000 -0.023 0.000 1.044 117 I HN 0.378 nan 8.210 nan 0.000 0.408 118 E N 1.194 121.399 120.200 0.007 0.000 2.058 118 E HA -0.337 4.013 4.350 -0.000 0.000 0.194 118 E C 1.801 178.389 176.600 -0.020 0.000 0.997 118 E CA 2.058 58.456 56.400 -0.004 0.000 0.801 118 E CB -0.101 29.608 29.700 0.016 0.000 0.746 118 E HN 0.436 nan 8.360 nan 0.000 0.450 119 D N -0.324 120.069 120.400 -0.013 0.000 2.117 119 D HA -0.195 4.445 4.640 -0.000 0.000 0.197 119 D C 1.993 178.265 176.300 -0.048 0.000 0.987 119 D CA 1.187 55.170 54.000 -0.028 0.000 0.829 119 D CB -0.009 40.778 40.800 -0.020 0.000 0.961 119 D HN 0.146 nan 8.370 nan 0.000 0.460 120 Q N -0.076 119.702 119.800 -0.036 0.000 2.119 120 Q HA -0.060 4.280 4.340 -0.000 0.000 0.201 120 Q C 2.488 178.452 176.000 -0.060 0.000 0.972 120 Q CA 0.622 56.399 55.803 -0.043 0.000 0.847 120 Q CB -0.516 28.226 28.738 0.006 0.000 0.903 120 Q HN 0.312 nan 8.270 nan 0.000 0.433 121 V N 0.978 120.856 119.914 -0.061 0.000 2.270 121 V HA -0.230 3.890 4.120 -0.000 0.000 0.245 121 V C 2.390 178.407 176.094 -0.128 0.000 1.043 121 V CA 1.721 63.969 62.300 -0.088 0.000 1.014 121 V CB -0.488 31.289 31.823 -0.077 0.000 0.645 121 V HN 0.306 nan 8.190 nan 0.000 0.447 122 R N -0.204 120.233 120.500 -0.106 0.000 2.105 122 R HA -0.207 4.133 4.340 -0.000 0.000 0.239 122 R C 2.513 178.739 176.300 -0.122 0.000 1.135 122 R CA 1.853 57.885 56.100 -0.113 0.000 0.967 122 R CB -0.431 29.825 30.300 -0.073 0.000 0.861 122 R HN 0.454 nan 8.270 nan 0.000 0.442 123 R N 0.311 120.746 120.500 -0.108 0.000 2.075 123 R HA -0.086 4.254 4.340 -0.000 0.000 0.232 123 R C 2.181 178.413 176.300 -0.114 0.000 1.126 123 R CA 1.221 57.255 56.100 -0.110 0.000 0.963 123 R CB 0.002 30.224 30.300 -0.130 0.000 0.858 123 R HN 0.089 nan 8.270 nan 0.000 0.435 124 M N 1.061 120.588 119.600 -0.120 0.000 2.086 124 M HA -0.133 4.347 4.480 -0.000 0.000 0.261 124 M C 2.248 178.464 176.300 -0.141 0.000 1.067 124 M CA 1.534 56.787 55.300 -0.079 0.000 1.116 124 M CB -0.521 32.013 32.600 -0.110 0.000 1.348 124 M HN 0.351 nan 8.290 nan 0.000 0.407 125 I N -2.793 117.512 120.570 -0.441 0.000 3.684 125 I HA 0.159 4.329 4.170 -0.000 0.000 0.304 125 I C 2.038 177.906 176.117 -0.416 0.000 1.278 125 I CA 0.386 61.052 61.300 -1.056 0.000 1.272 125 I CB -0.686 36.359 38.000 -1.592 0.000 1.029 125 I HN 0.008 nan 8.210 nan 0.000 0.458 126 A N 2.577 125.296 122.820 -0.169 0.000 2.032 126 A HA -0.255 4.065 4.320 -0.000 0.000 0.221 126 A C 1.664 179.278 177.584 0.050 0.000 1.165 126 A CA 2.181 54.193 52.037 -0.041 0.000 0.645 126 A CB -0.689 18.290 19.000 -0.036 0.000 0.807 126 A HN 0.757 nan 8.150 nan 0.000 0.453 127 D N -3.240 117.226 120.400 0.110 0.000 2.463 127 D HA 0.037 4.677 4.640 -0.000 0.000 0.224 127 D C 0.812 177.280 176.300 0.279 0.000 1.174 127 D CA -0.454 53.645 54.000 0.165 0.000 0.829 127 D CB -0.550 40.331 40.800 0.135 0.000 0.993 127 D HN 0.470 nan 8.370 nan 0.000 0.497 128 W N 2.087 123.355 121.300 -0.052 0.000 2.436 128 W HA 0.303 4.963 4.660 -0.000 0.000 0.284 128 W C 1.774 178.378 176.519 0.142 0.000 1.225 128 W CA 1.379 58.648 57.345 -0.126 0.000 1.271 128 W CB -0.500 28.580 29.460 -0.634 0.000 1.114 128 W HN 0.319 nan 8.180 nan 0.000 0.559 129 G N 0.081 109.113 108.800 0.386 0.000 2.598 129 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.244 129 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.244 129 G C 0.814 175.972 174.900 0.430 0.000 1.302 129 G CA 0.369 45.658 45.100 0.315 0.000 0.903 129 G HN 0.258 nan 8.290 nan 0.000 0.575 130 E N -0.177 120.186 120.200 0.271 0.000 2.072 130 E HA 0.348 4.698 4.350 -0.000 0.000 0.190 130 E C 1.287 178.043 176.600 0.260 0.000 0.982 130 E CA 1.460 57.996 56.400 0.227 0.000 0.803 130 E CB -0.076 29.678 29.700 0.089 0.000 0.755 130 E HN 1.348 nan 8.360 nan 0.000 0.453 131 A N -0.842 122.038 122.820 0.100 0.000 2.566 131 A HA 0.730 5.050 4.320 -0.000 0.000 0.292 131 A C -0.185 177.017 177.584 -0.636 0.000 1.112 131 A CA -0.158 51.745 52.037 -0.224 0.000 0.707 131 A CB 1.940 20.826 19.000 -0.190 0.000 1.302 131 A HN 0.313 nan 8.150 nan 0.000 0.409 132 G N -0.689 107.300 108.800 -1.350 0.000 2.335 132 G HA2 0.514 4.474 3.960 -0.000 0.000 0.291 132 G HA3 0.514 4.474 3.960 -0.000 0.000 0.291 132 G C -1.609 172.597 174.900 -1.157 0.000 1.261 132 G CA 0.178 44.531 45.100 -1.245 0.000 0.871 132 G HN 0.959 nan 8.290 nan 0.000 0.491 133 E N -0.932 118.885 120.200 -0.638 0.000 2.366 133 E HA 0.645 4.995 4.350 -0.000 0.000 0.278 133 E C -1.089 175.390 176.600 -0.201 0.000 0.923 133 E CA -0.903 55.293 56.400 -0.341 0.000 0.761 133 E CB 2.407 31.968 29.700 -0.231 0.000 1.231 133 E HN 0.909 nan 8.360 nan 0.000 0.443 134 I N -0.731 119.743 120.570 -0.160 0.000 3.191 134 I HA 0.578 4.748 4.170 -0.000 0.000 0.313 134 I C -1.212 174.865 176.117 -0.066 0.000 1.193 134 I CA -0.928 60.282 61.300 -0.149 0.000 0.968 134 I CB 2.266 40.083 38.000 -0.306 0.000 1.262 134 I HN 0.351 nan 8.210 nan 0.000 0.456 135 D N 3.220 123.607 120.400 -0.021 0.000 2.349 135 D HA 0.352 4.992 4.640 -0.000 0.000 0.232 135 D C 0.940 177.263 176.300 0.037 0.000 1.071 135 D CA -0.406 53.598 54.000 0.007 0.000 0.832 135 D CB 1.875 42.676 40.800 0.002 0.000 1.086 135 D HN 0.728 nan 8.370 nan 0.000 0.504 136 L N 3.470 124.721 121.223 0.045 0.000 2.021 136 L HA -0.241 4.099 4.340 -0.000 0.000 0.215 136 L C 2.393 179.351 176.870 0.147 0.000 1.074 136 L CA 0.998 55.895 54.840 0.095 0.000 0.760 136 L CB -0.416 41.703 42.059 0.100 0.000 0.889 136 L HN 0.476 nan 8.230 nan 0.000 0.433 137 L N -0.153 121.118 121.223 0.080 0.000 2.017 137 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 137 L C 2.128 179.015 176.870 0.030 0.000 1.073 137 L CA 1.930 56.806 54.840 0.060 0.000 0.745 137 L CB -0.721 41.347 42.059 0.015 0.000 0.894 137 L HN 0.198 nan 8.230 nan 0.000 0.432 138 D N -0.942 119.464 120.400 0.010 0.000 2.097 138 D HA -0.227 4.412 4.640 -0.000 0.000 0.195 138 D C 2.023 178.330 176.300 0.013 0.000 0.989 138 D CA 1.653 55.647 54.000 -0.011 0.000 0.827 138 D CB -0.339 40.465 40.800 0.007 0.000 0.966 138 D HN 0.403 nan 8.370 nan 0.000 0.456 139 F N 0.653 120.544 119.950 -0.098 0.000 2.060 139 F HA -0.173 4.354 4.527 -0.000 0.000 0.295 139 F C 2.089 177.774 175.800 -0.192 0.000 1.120 139 F CA 1.265 59.167 58.000 -0.163 0.000 1.205 139 F CB -0.348 38.490 39.000 -0.270 0.000 0.986 139 F HN -0.196 nan 8.300 nan 0.000 0.470 140 F N 0.420 120.369 119.950 -0.002 0.000 2.325 140 F HA 0.044 4.571 4.527 -0.000 0.000 0.299 140 F C 2.458 178.154 175.800 -0.175 0.000 1.090 140 F CA 0.786 58.705 58.000 -0.135 0.000 1.392 140 F CB -1.454 37.543 39.000 -0.006 0.000 1.053 140 F HN 0.082 nan 8.300 nan 0.000 0.521 141 A N -0.271 122.577 122.820 0.047 0.000 1.898 141 A HA -0.210 4.109 4.320 -0.000 0.000 0.216 141 A C 2.207 179.825 177.584 0.057 0.000 1.181 141 A CA 1.751 53.824 52.037 0.060 0.000 0.620 141 A CB -0.774 18.285 19.000 0.098 0.000 0.819 141 A HN 0.407 nan 8.150 nan 0.000 0.442 142 E N -0.565 119.553 120.200 -0.137 0.000 2.107 142 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 142 E C 1.878 178.139 176.600 -0.564 0.000 0.982 142 E CA 1.160 57.349 56.400 -0.352 0.000 0.809 142 E CB -0.190 29.340 29.700 -0.282 0.000 0.756 142 E HN 0.425 nan 8.360 nan 0.000 0.459 143 L N 1.087 122.054 121.223 -0.426 0.000 2.093 143 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 143 L C 2.395 179.175 176.870 -0.149 0.000 1.085 143 L CA 2.475 57.128 54.840 -0.312 0.000 0.755 143 L CB -0.798 40.970 42.059 -0.485 0.000 0.904 143 L HN 0.322 nan 8.230 nan 0.000 0.435 144 T N -3.593 110.907 114.554 -0.090 0.000 3.055 144 T HA -0.036 4.314 4.350 -0.000 0.000 0.265 144 T C 1.922 176.651 174.700 0.048 0.000 1.111 144 T CA 0.710 62.816 62.100 0.011 0.000 1.118 144 T CB -0.433 68.425 68.868 -0.018 0.000 0.909 144 T HN 0.207 nan 8.240 nan 0.000 0.501 145 I N 0.465 120.967 120.570 -0.114 0.000 2.286 145 I HA 0.003 4.173 4.170 -0.000 0.000 0.245 145 I C 2.167 178.165 176.117 -0.198 0.000 1.104 145 I CA 1.032 62.175 61.300 -0.263 0.000 1.397 145 I CB -1.020 36.723 38.000 -0.429 0.000 1.072 145 I HN 0.203 nan 8.210 nan 0.000 0.417 146 Y N 1.483 121.728 120.300 -0.092 0.000 2.200 146 Y HA -0.177 4.373 4.550 -0.000 0.000 0.290 146 Y C 2.939 178.794 175.900 -0.074 0.000 1.137 146 Y CA 1.519 59.550 58.100 -0.115 0.000 1.163 146 Y CB -1.738 36.650 38.460 -0.120 0.000 0.988 146 Y HN 0.287 nan 8.280 nan 0.000 0.518 147 T N -2.987 111.630 114.554 0.104 0.000 2.737 147 T HA -0.153 4.197 4.350 -0.000 0.000 0.265 147 T C 2.127 176.886 174.700 0.098 0.000 1.038 147 T CA 1.576 63.731 62.100 0.092 0.000 1.144 147 T CB -0.869 68.044 68.868 0.075 0.000 0.866 147 T HN 0.198 nan 8.240 nan 0.000 0.434 148 S N 2.309 118.050 115.700 0.068 0.000 2.348 148 S HA -0.133 4.337 4.470 -0.000 0.000 0.221 148 S C 2.622 177.189 174.600 -0.055 0.000 1.033 148 S CA 1.619 59.829 58.200 0.016 0.000 1.010 148 S CB -0.699 62.502 63.200 0.002 0.000 0.891 148 S HN 0.861 nan 8.310 nan 0.000 0.442 149 S N 2.382 118.046 115.700 -0.059 0.000 2.383 149 S HA 0.036 4.506 4.470 -0.000 0.000 0.227 149 S C 2.025 176.608 174.600 -0.028 0.000 1.026 149 S CA 0.895 59.054 58.200 -0.068 0.000 0.981 149 S CB -0.590 62.551 63.200 -0.099 0.000 0.818 149 S HN 0.503 nan 8.310 nan 0.000 0.472 150 A N 0.507 123.328 122.820 0.002 0.000 1.930 150 A HA 0.032 4.352 4.320 -0.000 0.000 0.217 150 A C 2.425 180.029 177.584 0.034 0.000 1.175 150 A CA 1.321 53.371 52.037 0.020 0.000 0.627 150 A CB -1.250 17.770 19.000 0.032 0.000 0.815 150 A HN 0.702 nan 8.150 nan 0.000 0.443 151 C N -1.059 118.251 119.300 0.016 0.000 2.538 151 C HA 0.130 4.590 4.460 -0.000 0.000 0.281 151 C C 2.432 177.322 174.990 -0.166 0.000 1.320 151 C CA 0.425 59.421 59.018 -0.036 0.000 1.714 151 C CB -0.927 26.732 27.740 -0.135 0.000 2.095 151 C HN 0.504 nan 8.230 nan 0.000 0.497 152 L N 0.564 121.646 121.223 -0.234 0.000 2.131 152 L HA 0.078 4.418 4.340 -0.000 0.000 0.206 152 L C 1.999 178.753 176.870 -0.193 0.000 1.087 152 L CA 1.899 56.589 54.840 -0.249 0.000 0.767 152 L CB -1.144 40.757 42.059 -0.263 0.000 0.917 152 L HN 0.356 nan 8.230 nan 0.000 0.441 153 I N -1.874 118.562 120.570 -0.223 0.000 2.899 153 I HA 0.350 4.519 4.170 -0.000 0.000 0.257 153 I C 0.763 176.783 176.117 -0.161 0.000 1.115 153 I CA 0.567 61.672 61.300 -0.325 0.000 1.451 153 I CB 0.388 37.962 38.000 -0.711 0.000 1.251 153 I HN 0.280 nan 8.210 nan 0.000 0.456 154 G N 1.088 109.851 108.800 -0.061 0.000 2.301 154 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.290 154 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.290 154 G C -0.090 174.838 174.900 0.048 0.000 1.669 154 G CA -0.378 44.729 45.100 0.012 0.000 0.945 154 G HN 0.025 nan 8.290 nan 0.000 0.710 155 K N 0.700 121.119 120.400 0.032 0.000 2.063 155 K HA -0.093 4.227 4.320 -0.000 0.000 0.208 155 K C 2.380 178.980 176.600 0.000 0.000 1.048 155 K CA 1.810 58.101 56.287 0.007 0.000 0.928 155 K CB -0.129 32.371 32.500 0.000 0.000 0.713 155 K HN 0.444 nan 8.250 nan 0.000 0.442 156 K N -0.156 120.262 120.400 0.028 0.000 2.074 156 K HA -0.216 4.104 4.320 -0.000 0.000 0.209 156 K C 2.036 178.664 176.600 0.048 0.000 1.048 156 K CA 1.736 58.042 56.287 0.033 0.000 0.926 156 K CB -0.250 32.283 32.500 0.056 0.000 0.713 156 K HN 0.181 nan 8.250 nan 0.000 0.444 157 F N 1.956 121.861 119.950 -0.075 0.000 2.128 157 F HA -0.127 4.400 4.527 -0.000 0.000 0.295 157 F C 2.520 178.235 175.800 -0.142 0.000 1.100 157 F CA 1.310 59.250 58.000 -0.101 0.000 1.260 157 F CB -0.337 38.564 39.000 -0.164 0.000 1.009 157 F HN -0.061 nan 8.300 nan 0.000 0.476 158 R N 0.908 121.294 120.500 -0.191 0.000 2.105 158 R HA -0.182 4.158 4.340 -0.000 0.000 0.239 158 R C 1.485 177.600 176.300 -0.308 0.000 1.135 158 R CA 2.118 58.044 56.100 -0.289 0.000 0.967 158 R CB -1.160 29.068 30.300 -0.119 0.000 0.861 158 R HN 0.257 nan 8.270 nan 0.000 0.442 159 D N 0.714 120.982 120.400 -0.220 0.000 2.311 159 D HA -0.127 4.513 4.640 -0.000 0.000 0.212 159 D C 1.213 177.389 176.300 -0.207 0.000 0.972 159 D CA 0.839 54.719 54.000 -0.199 0.000 0.887 159 D CB 0.020 40.743 40.800 -0.127 0.000 0.915 159 D HN 0.237 nan 8.370 nan 0.000 0.497 160 Q N -0.252 119.388 119.800 -0.267 0.000 2.246 160 Q HA 0.228 4.568 4.340 -0.000 0.000 0.202 160 Q C 0.161 176.000 176.000 -0.267 0.000 0.883 160 Q CA 0.020 55.684 55.803 -0.232 0.000 0.952 160 Q CB 0.665 29.284 28.738 -0.197 0.000 1.078 160 Q HN 0.324 nan 8.270 nan 0.000 0.493 161 L N 0.708 121.745 121.223 -0.310 0.000 2.319 161 L HA 0.517 4.857 4.340 -0.000 0.000 0.267 161 L C -0.127 176.726 176.870 -0.030 0.000 1.011 161 L CA -0.890 53.825 54.840 -0.209 0.000 0.818 161 L CB 1.707 43.502 42.059 -0.439 0.000 1.316 161 L HN -0.037 nan 8.230 nan 0.000 0.432 162 D N -0.036 120.436 120.400 0.121 0.000 2.895 162 D HA 0.179 4.819 4.640 -0.000 0.000 0.320 162 D C 0.912 177.362 176.300 0.250 0.000 1.249 162 D CA -0.076 54.037 54.000 0.187 0.000 0.997 162 D CB 0.554 41.400 40.800 0.077 0.000 1.430 162 D HN 0.461 nan 8.370 nan 0.000 0.558 163 G N -0.341 108.579 108.800 0.200 0.000 2.517 163 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.222 163 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.222 163 G C 1.452 176.429 174.900 0.127 0.000 1.109 163 G CA 1.261 46.447 45.100 0.143 0.000 0.746 163 G HN 0.440 nan 8.290 nan 0.000 0.576 164 R N -0.910 119.672 120.500 0.136 0.000 2.070 164 R HA -0.054 4.286 4.340 -0.000 0.000 0.232 164 R C 2.283 178.674 176.300 0.150 0.000 1.138 164 R CA 1.457 57.629 56.100 0.120 0.000 0.936 164 R CB -0.524 29.843 30.300 0.112 0.000 0.839 164 R HN 0.362 nan 8.270 nan 0.000 0.429 165 F N 1.194 121.181 119.950 0.063 0.000 2.120 165 F HA -0.279 4.248 4.527 -0.000 0.000 0.300 165 F C 2.100 177.948 175.800 0.079 0.000 1.095 165 F CA 1.674 59.721 58.000 0.079 0.000 1.249 165 F CB -0.496 38.538 39.000 0.056 0.000 0.995 165 F HN 0.125 nan 8.300 nan 0.000 0.480 166 A N 0.031 123.018 122.820 0.279 0.000 1.865 166 A HA -0.277 4.043 4.320 -0.000 0.000 0.217 166 A C 2.343 179.992 177.584 0.107 0.000 1.191 166 A CA 2.058 54.174 52.037 0.132 0.000 0.623 166 A CB -0.945 18.058 19.000 0.006 0.000 0.826 166 A HN 0.471 nan 8.150 nan 0.000 0.444 167 K N -0.411 120.041 120.400 0.087 0.000 2.097 167 K HA -0.047 4.273 4.320 -0.000 0.000 0.205 167 K C 1.933 178.599 176.600 0.109 0.000 1.050 167 K CA 1.233 57.579 56.287 0.099 0.000 0.938 167 K CB -0.297 32.243 32.500 0.067 0.000 0.718 167 K HN 0.499 nan 8.250 nan 0.000 0.442 168 L N -0.218 121.026 121.223 0.034 0.000 2.046 168 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 168 L C 2.385 179.229 176.870 -0.044 0.000 1.077 168 L CA 1.346 56.171 54.840 -0.026 0.000 0.747 168 L CB -0.556 41.442 42.059 -0.102 0.000 0.896 168 L HN 0.246 nan 8.230 nan 0.000 0.432 169 Y N -0.259 119.927 120.300 -0.190 0.000 2.274 169 Y HA -0.318 4.232 4.550 0.000 0.000 0.290 169 Y C 2.783 178.675 175.900 -0.014 0.000 1.145 169 Y CA 1.848 59.854 58.100 -0.157 0.000 1.203 169 Y CB -0.089 38.232 38.460 -0.230 0.000 0.984 169 Y HN 0.219 nan 8.280 nan 0.000 0.533 170 H N -0.188 118.957 119.070 0.125 0.000 2.389 170 H HA -0.090 4.466 4.556 -0.000 0.000 0.299 170 H C 1.952 177.315 175.328 0.057 0.000 1.081 170 H CA 1.863 57.985 56.048 0.123 0.000 1.345 170 H CB 0.098 29.924 29.762 0.107 0.000 1.393 170 H HN 0.158 nan 8.280 nan 0.000 0.520 171 E N 0.040 120.254 120.200 0.022 0.000 2.268 171 E HA -0.105 4.245 4.350 -0.000 0.000 0.195 171 E C 2.168 178.723 176.600 -0.075 0.000 0.995 171 E CA 0.259 56.637 56.400 -0.037 0.000 0.836 171 E CB -0.222 29.485 29.700 0.012 0.000 0.763 171 E HN 0.370 nan 8.360 nan 0.000 0.491 172 L N 1.386 122.552 121.223 -0.095 0.000 1.961 172 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 172 L C 2.035 178.888 176.870 -0.029 0.000 1.072 172 L CA 1.811 56.593 54.840 -0.096 0.000 0.749 172 L CB -0.660 41.268 42.059 -0.217 0.000 0.889 172 L HN 0.089 nan 8.230 nan 0.000 0.432 173 E N -1.124 119.060 120.200 -0.028 0.000 2.209 173 E HA -0.213 4.137 4.350 -0.000 0.000 0.196 173 E C 2.023 178.556 176.600 -0.111 0.000 0.993 173 E CA 0.648 57.038 56.400 -0.016 0.000 0.819 173 E CB -0.063 29.584 29.700 -0.088 0.000 0.745 173 E HN 0.298 nan 8.360 nan 0.000 0.477 174 R N -0.056 120.336 120.500 -0.180 0.000 2.276 174 R HA 0.006 4.346 4.340 -0.000 0.000 0.203 174 R C 1.551 177.823 176.300 -0.047 0.000 1.017 174 R CA 0.637 56.648 56.100 -0.148 0.000 1.010 174 R CB -0.013 30.185 30.300 -0.169 0.000 0.900 174 R HN 0.086 nan 8.270 nan 0.000 0.469 175 G N 1.098 109.891 108.800 -0.013 0.000 3.591 175 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.282 175 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.282 175 G C 0.449 175.388 174.900 0.065 0.000 1.238 175 G CA -0.042 45.108 45.100 0.083 0.000 0.993 175 G HN 0.229 nan 8.290 nan 0.000 0.542 176 T N -2.839 111.693 114.554 -0.036 0.000 3.308 176 T HA 0.195 4.544 4.350 -0.000 0.000 0.270 176 T C -0.046 174.486 174.700 -0.281 0.000 0.992 176 T CA -0.642 61.274 62.100 -0.307 0.000 0.931 176 T CB 0.515 69.035 68.868 -0.581 0.000 1.142 176 T HN 0.093 nan 8.240 nan 0.000 0.525 177 D N 2.361 122.794 120.400 0.055 0.000 2.472 177 D HA 0.077 4.717 4.640 -0.000 0.000 0.237 177 D C -1.472 174.879 176.300 0.086 0.000 1.141 177 D CA -1.564 52.451 54.000 0.024 0.000 0.875 177 D CB 1.703 42.463 40.800 -0.068 0.000 1.192 177 D HN 0.046 nan 8.370 nan 0.000 0.450 178 P HA -0.074 nan 4.420 nan 0.000 0.223 178 P C 1.373 178.860 177.300 0.312 0.000 1.144 178 P CA 0.694 63.986 63.100 0.320 0.000 0.783 178 P CB 0.129 32.069 31.700 0.400 0.000 0.771 179 L N -1.530 119.787 121.223 0.158 0.000 2.549 179 L HA -0.121 4.219 4.340 -0.000 0.000 0.230 179 L C 2.167 179.177 176.870 0.232 0.000 1.162 179 L CA 0.672 55.562 54.840 0.084 0.000 0.834 179 L CB -0.777 41.214 42.059 -0.114 0.000 0.947 179 L HN 0.011 nan 8.230 nan 0.000 0.452 180 A N -0.941 122.071 122.820 0.321 0.000 2.067 180 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 180 A C 1.717 179.294 177.584 -0.011 0.000 1.158 180 A CA 0.945 53.090 52.037 0.181 0.000 0.661 180 A CB -0.573 18.474 19.000 0.078 0.000 0.801 180 A HN 0.438 nan 8.150 nan 0.000 0.452 181 Y N -1.143 119.262 120.300 0.176 0.000 2.578 181 Y HA 0.028 4.578 4.550 -0.000 0.000 0.297 181 Y C 2.018 177.974 175.900 0.093 0.000 1.176 181 Y CA 0.558 58.729 58.100 0.119 0.000 1.315 181 Y CB 0.089 38.610 38.460 0.102 0.000 1.031 181 Y HN 0.151 nan 8.280 nan 0.000 0.524 182 V N -1.009 119.022 119.914 0.195 0.000 2.391 182 V HA 0.006 4.125 4.120 -0.000 0.000 0.237 182 V C -0.050 176.125 176.094 0.135 0.000 1.046 182 V CA 1.114 63.507 62.300 0.155 0.000 1.053 182 V CB 0.240 32.132 31.823 0.116 0.000 0.704 182 V HN 0.155 nan 8.190 nan 0.000 0.475 183 D N -1.949 118.538 120.400 0.145 0.000 2.871 183 D HA 0.253 4.893 4.640 -0.000 0.000 0.209 183 D C -2.603 173.771 176.300 0.122 0.000 1.292 183 D CA -1.319 52.766 54.000 0.143 0.000 0.869 183 D CB 2.177 43.080 40.800 0.171 0.000 1.663 183 D HN -0.075 nan 8.370 nan 0.000 0.557 184 P HA 0.007 nan 4.420 nan 0.000 0.228 184 P C 0.006 176.801 177.300 -0.841 0.000 1.151 184 P CA 0.978 63.745 63.100 -0.555 0.000 0.770 184 P CB -0.011 31.299 31.700 -0.649 0.000 0.786 185 Y N -1.711 118.568 120.300 -0.035 0.000 2.720 185 Y HA 0.265 4.815 4.550 0.000 0.000 0.268 185 Y C 0.749 176.767 175.900 0.197 0.000 1.142 185 Y CA -0.780 57.347 58.100 0.044 0.000 1.193 185 Y CB -0.526 37.935 38.460 0.001 0.000 1.176 185 Y HN -0.194 nan 8.280 nan 0.000 0.542 186 L N 4.568 126.052 121.223 0.434 0.000 2.525 186 L HA 0.062 4.401 4.340 -0.000 0.000 0.278 186 L C -1.645 175.371 176.870 0.243 0.000 1.218 186 L CA -1.384 53.631 54.840 0.293 0.000 0.878 186 L CB 0.583 42.760 42.059 0.197 0.000 1.127 186 L HN 0.040 nan 8.230 nan 0.000 0.492 187 P HA 0.080 nan 4.420 nan 0.000 0.235 187 P C -0.608 176.706 177.300 0.024 0.000 1.765 187 P CA 0.247 63.403 63.100 0.094 0.000 1.034 187 P CB -0.635 31.108 31.700 0.072 0.000 1.984 188 I N -3.189 117.365 120.570 -0.028 0.000 2.797 188 I HA 0.411 4.581 4.170 -0.000 0.000 0.307 188 I C 1.510 177.578 176.117 -0.083 0.000 1.033 188 I CA -1.274 59.946 61.300 -0.133 0.000 1.071 188 I CB 1.979 39.766 38.000 -0.356 0.000 1.255 188 I HN -0.101 nan 8.210 nan 0.000 0.445 189 E N 2.109 122.264 120.200 -0.076 0.000 2.086 189 E HA -0.272 4.078 4.350 -0.000 0.000 0.200 189 E C 1.965 178.555 176.600 -0.016 0.000 1.012 189 E CA 2.812 59.191 56.400 -0.034 0.000 0.812 189 E CB 0.100 29.777 29.700 -0.038 0.000 0.743 189 E HN 0.893 nan 8.360 nan 0.000 0.453 190 S N -0.203 115.459 115.700 -0.064 0.000 2.368 190 S HA -0.140 4.330 4.470 -0.000 0.000 0.225 190 S C 1.883 176.590 174.600 0.179 0.000 1.030 190 S CA 0.938 59.141 58.200 0.005 0.000 0.999 190 S CB -0.497 62.668 63.200 -0.059 0.000 0.844 190 S HN 0.217 nan 8.310 nan 0.000 0.459 191 F N 2.593 122.515 119.950 -0.046 0.000 2.259 191 F HA 0.210 4.737 4.527 -0.000 0.000 0.298 191 F C 2.661 178.441 175.800 -0.033 0.000 1.088 191 F CA 0.432 58.397 58.000 -0.057 0.000 1.358 191 F CB -1.006 37.956 39.000 -0.062 0.000 1.040 191 F HN 0.307 nan 8.300 nan 0.000 0.505 192 R N 0.726 121.331 120.500 0.175 0.000 2.062 192 R HA -0.120 4.220 4.340 -0.000 0.000 0.231 192 R C 2.338 178.680 176.300 0.070 0.000 1.136 192 R CA 1.315 57.477 56.100 0.102 0.000 0.948 192 R CB -0.218 30.124 30.300 0.071 0.000 0.845 192 R HN 0.080 nan 8.270 nan 0.000 0.430 193 R N 0.278 120.814 120.500 0.061 0.000 2.094 193 R HA -0.189 4.151 4.340 -0.000 0.000 0.239 193 R C 2.625 178.944 176.300 0.031 0.000 1.137 193 R CA 2.217 58.342 56.100 0.040 0.000 0.943 193 R CB -0.549 29.771 30.300 0.034 0.000 0.850 193 R HN 0.285 nan 8.270 nan 0.000 0.433 194 R N 0.943 121.467 120.500 0.040 0.000 2.112 194 R HA -0.213 4.127 4.340 -0.000 0.000 0.242 194 R C 1.375 177.667 176.300 -0.013 0.000 1.137 194 R CA 2.361 58.462 56.100 0.002 0.000 0.944 194 R CB -0.411 29.885 30.300 -0.006 0.000 0.857 194 R HN 0.204 nan 8.270 nan 0.000 0.435 195 D N 0.307 120.709 120.400 0.005 0.000 2.123 195 D HA -0.166 4.474 4.640 -0.000 0.000 0.196 195 D C 1.856 178.164 176.300 0.014 0.000 0.992 195 D CA 1.506 55.512 54.000 0.009 0.000 0.833 195 D CB -0.226 40.598 40.800 0.040 0.000 0.954 195 D HN 0.508 nan 8.370 nan 0.000 0.455 196 E N 0.478 120.690 120.200 0.020 0.000 2.106 196 E HA -0.069 4.281 4.350 -0.000 0.000 0.192 196 E C 2.132 178.736 176.600 0.007 0.000 0.984 196 E CA 0.794 57.205 56.400 0.019 0.000 0.806 196 E CB -0.013 29.702 29.700 0.024 0.000 0.750 196 E HN 0.187 nan 8.360 nan 0.000 0.458 197 A N 1.654 124.472 122.820 -0.003 0.000 1.883 197 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 197 A C 2.115 179.676 177.584 -0.038 0.000 1.186 197 A CA 1.634 53.658 52.037 -0.022 0.000 0.624 197 A CB -0.485 18.494 19.000 -0.035 0.000 0.822 197 A HN 0.078 nan 8.150 nan 0.000 0.444 198 R N -0.383 120.095 120.500 -0.037 0.000 2.081 198 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 198 R C 1.825 178.122 176.300 -0.005 0.000 1.131 198 R CA 1.655 57.735 56.100 -0.032 0.000 0.960 198 R CB -0.296 29.988 30.300 -0.026 0.000 0.856 198 R HN 0.544 nan 8.270 nan 0.000 0.436 199 N N -0.147 118.557 118.700 0.006 0.000 2.149 199 N HA -0.125 4.615 4.740 -0.000 0.000 0.188 199 N C 1.673 177.197 175.510 0.023 0.000 1.019 199 N CA 1.518 54.580 53.050 0.019 0.000 0.857 199 N CB -0.598 37.902 38.487 0.022 0.000 0.997 199 N HN 0.403 nan 8.380 nan 0.000 0.426 200 G N 1.362 110.170 108.800 0.013 0.000 2.418 200 G HA2 -0.152 3.807 3.960 -0.000 0.000 0.217 200 G HA3 -0.152 3.807 3.960 -0.000 0.000 0.217 200 G C 1.734 176.650 174.900 0.026 0.000 1.158 200 G CA 0.318 45.430 45.100 0.019 0.000 0.771 200 G HN 0.218 nan 8.290 nan 0.000 0.545 201 L N 0.239 121.459 121.223 -0.005 0.000 2.017 201 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 201 L C 3.027 179.958 176.870 0.102 0.000 1.073 201 L CA 0.676 55.518 54.840 0.004 0.000 0.745 201 L CB -0.573 41.444 42.059 -0.070 0.000 0.894 201 L HN 0.092 nan 8.230 nan 0.000 0.432 202 V N 0.117 120.078 119.914 0.078 0.000 2.392 202 V HA -0.320 3.800 4.120 -0.000 0.000 0.249 202 V C 2.728 178.881 176.094 0.099 0.000 1.059 202 V CA 1.823 64.177 62.300 0.090 0.000 1.051 202 V CB -0.977 30.880 31.823 0.057 0.000 0.658 202 V HN 0.502 nan 8.190 nan 0.000 0.455 203 A N -0.335 122.535 122.820 0.084 0.000 1.898 203 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 203 A C 2.224 179.873 177.584 0.108 0.000 1.181 203 A CA 1.612 53.697 52.037 0.081 0.000 0.620 203 A CB -0.451 18.586 19.000 0.063 0.000 0.819 203 A HN 0.493 nan 8.150 nan 0.000 0.442 204 L N -0.615 120.689 121.223 0.136 0.000 2.017 204 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 204 L C 2.571 179.573 176.870 0.219 0.000 1.073 204 L CA 1.234 56.180 54.840 0.177 0.000 0.745 204 L CB -0.642 41.562 42.059 0.241 0.000 0.894 204 L HN 0.252 nan 8.230 nan 0.000 0.432 205 V N 0.118 120.199 119.914 0.278 0.000 2.295 205 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 205 V C 2.784 179.009 176.094 0.219 0.000 1.049 205 V CA 1.783 64.282 62.300 0.332 0.000 1.024 205 V CB -0.910 31.123 31.823 0.350 0.000 0.648 205 V HN 0.484 nan 8.190 nan 0.000 0.447 206 A N 0.024 122.934 122.820 0.151 0.000 1.917 206 A HA -0.307 4.013 4.320 -0.000 0.000 0.219 206 A C 1.945 179.592 177.584 0.104 0.000 1.182 206 A CA 2.326 54.428 52.037 0.108 0.000 0.633 206 A CB -0.713 18.336 19.000 0.081 0.000 0.819 206 A HN 0.562 nan 8.150 nan 0.000 0.448 207 D N -0.148 120.316 120.400 0.107 0.000 2.117 207 D HA -0.098 4.542 4.640 -0.000 0.000 0.197 207 D C 1.803 178.161 176.300 0.096 0.000 0.987 207 D CA 1.121 55.174 54.000 0.089 0.000 0.829 207 D CB -0.332 40.517 40.800 0.081 0.000 0.961 207 D HN 0.552 nan 8.370 nan 0.000 0.460 208 I N 0.127 120.775 120.570 0.130 0.000 2.252 208 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 208 I C 2.409 178.613 176.117 0.145 0.000 1.102 208 I CA 0.753 62.137 61.300 0.141 0.000 1.385 208 I CB -0.162 37.964 38.000 0.210 0.000 1.064 208 I HN -0.018 nan 8.210 nan 0.000 0.414 209 M N 0.300 119.991 119.600 0.152 0.000 2.067 209 M HA -0.206 4.274 4.480 -0.000 0.000 0.260 209 M C 2.074 178.426 176.300 0.086 0.000 1.069 209 M CA 1.781 57.153 55.300 0.120 0.000 1.117 209 M CB -0.568 32.094 32.600 0.103 0.000 1.334 209 M HN 0.254 nan 8.290 nan 0.000 0.407 210 N N 0.459 119.204 118.700 0.076 0.000 2.166 210 N HA -0.104 4.636 4.740 -0.000 0.000 0.186 210 N C 1.740 177.282 175.510 0.053 0.000 1.019 210 N CA 1.642 54.727 53.050 0.058 0.000 0.856 210 N CB -0.744 37.774 38.487 0.052 0.000 0.993 210 N HN 0.460 nan 8.380 nan 0.000 0.426 211 G N 1.474 110.310 108.800 0.059 0.000 2.421 211 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.216 211 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.216 211 G C 1.699 176.629 174.900 0.050 0.000 1.171 211 G CA 0.419 45.550 45.100 0.050 0.000 0.775 211 G HN 0.305 nan 8.290 nan 0.000 0.543 212 R N -0.160 120.378 120.500 0.063 0.000 2.092 212 R HA 0.093 4.433 4.340 -0.000 0.000 0.231 212 R C 2.558 178.887 176.300 0.049 0.000 1.119 212 R CA 0.913 57.049 56.100 0.060 0.000 0.970 212 R CB -0.358 29.989 30.300 0.078 0.000 0.864 212 R HN 0.387 nan 8.270 nan 0.000 0.440 213 I N 0.596 121.195 120.570 0.048 0.000 2.394 213 I HA -0.176 3.994 4.170 -0.000 0.000 0.251 213 I C 2.251 178.387 176.117 0.031 0.000 1.136 213 I CA 0.891 62.215 61.300 0.039 0.000 1.425 213 I CB -0.236 37.787 38.000 0.038 0.000 1.079 213 I HN 0.148 nan 8.210 nan 0.000 0.425 214 A N 1.173 124.012 122.820 0.032 0.000 2.206 214 A HA -0.028 4.292 4.320 -0.000 0.000 0.211 214 A C 0.486 178.084 177.584 0.024 0.000 1.158 214 A CA 0.648 52.701 52.037 0.026 0.000 0.761 214 A CB -0.482 18.534 19.000 0.026 0.000 0.801 214 A HN 0.661 nan 8.150 nan 0.000 0.473 215 N N -1.502 117.214 118.700 0.026 0.000 3.186 215 N HA 0.208 4.948 4.740 -0.000 0.000 0.230 215 N C -3.716 171.809 175.510 0.026 0.000 1.062 215 N CA -0.958 52.105 53.050 0.023 0.000 1.084 215 N CB -0.103 38.396 38.487 0.020 0.000 1.662 215 N HN -0.201 nan 8.380 nan 0.000 0.627 223 R N 1.362 121.875 120.500 0.021 0.000 2.404 223 R HA 0.746 5.086 4.340 -0.000 0.000 0.291 223 R C -0.561 175.756 176.300 0.028 0.000 1.025 223 R CA -0.424 55.692 56.100 0.027 0.000 0.991 223 R CB 1.670 31.984 30.300 0.024 0.000 1.053 223 R HN 0.845 nan 8.270 nan 0.000 0.479 224 D N 0.658 121.079 120.400 0.036 0.000 2.727 224 D HA 0.114 4.753 4.640 -0.000 0.000 0.264 224 D C 0.716 177.028 176.300 0.021 0.000 1.101 224 D CA -0.835 53.180 54.000 0.025 0.000 1.122 224 D CB 0.275 41.094 40.800 0.032 0.000 1.390 224 D HN 0.180 nan 8.370 nan 0.000 0.606 225 M N -0.509 119.084 119.600 -0.012 0.000 2.229 225 M HA 0.096 4.576 4.480 -0.000 0.000 0.264 225 M C 1.562 177.934 176.300 0.120 0.000 1.063 225 M CA 0.965 56.276 55.300 0.018 0.000 1.114 225 M CB -0.708 31.858 32.600 -0.057 0.000 1.387 225 M HN 0.509 nan 8.290 nan 0.000 0.420 226 L N -0.193 121.106 121.223 0.127 0.000 2.093 226 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 226 L C 1.708 178.643 176.870 0.109 0.000 1.085 226 L CA 1.883 56.848 54.840 0.209 0.000 0.755 226 L CB -0.960 41.212 42.059 0.188 0.000 0.904 226 L HN 0.267 nan 8.230 nan 0.000 0.435 227 D N -0.733 119.720 120.400 0.088 0.000 2.097 227 D HA -0.170 4.470 4.640 -0.000 0.000 0.195 227 D C 2.292 178.629 176.300 0.061 0.000 0.989 227 D CA 1.749 55.791 54.000 0.069 0.000 0.827 227 D CB -0.211 40.623 40.800 0.057 0.000 0.966 227 D HN 0.278 nan 8.370 nan 0.000 0.456 228 V N 1.641 121.590 119.914 0.058 0.000 2.255 228 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 228 V C 2.740 178.880 176.094 0.076 0.000 1.051 228 V CA 1.289 63.623 62.300 0.057 0.000 1.018 228 V CB -0.584 31.268 31.823 0.048 0.000 0.641 228 V HN 0.197 nan 8.190 nan 0.000 0.445 229 L N -0.784 120.477 121.223 0.064 0.000 2.083 229 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 229 L C 2.397 179.354 176.870 0.145 0.000 1.083 229 L CA 1.640 56.529 54.840 0.083 0.000 0.752 229 L CB -0.565 41.419 42.059 -0.126 0.000 0.899 229 L HN 0.285 nan 8.230 nan 0.000 0.433 230 I N 0.169 120.787 120.570 0.080 0.000 2.286 230 I HA -0.257 3.913 4.170 -0.000 0.000 0.248 230 I C 2.601 178.758 176.117 0.067 0.000 1.115 230 I CA 1.206 62.551 61.300 0.074 0.000 1.392 230 I CB -0.332 37.705 38.000 0.061 0.000 1.065 230 I HN 0.199 nan 8.210 nan 0.000 0.418 231 A N 0.311 123.168 122.820 0.062 0.000 2.206 231 A HA 0.076 4.396 4.320 -0.000 0.000 0.211 231 A C 1.072 178.676 177.584 0.033 0.000 1.158 231 A CA 0.142 52.204 52.037 0.042 0.000 0.761 231 A CB -0.516 18.507 19.000 0.038 0.000 0.801 231 A HN 0.156 nan 8.150 nan 0.000 0.473 232 V N 2.289 122.238 119.914 0.058 0.000 2.485 232 V HA 0.110 4.230 4.120 -0.000 0.000 0.287 232 V C -0.038 176.012 176.094 -0.074 0.000 1.022 232 V CA 0.084 62.394 62.300 0.017 0.000 1.067 232 V CB 0.358 32.234 31.823 0.089 0.000 0.967 232 V HN 0.272 nan 8.190 nan 0.000 0.479 233 K N 3.646 124.001 120.400 -0.076 0.000 2.164 233 K HA 0.746 5.066 4.320 -0.000 0.000 0.258 233 K C 0.062 176.589 176.600 -0.123 0.000 0.951 233 K CA -0.366 55.865 56.287 -0.093 0.000 0.844 233 K CB 2.134 34.603 32.500 -0.053 0.000 1.099 233 K HN 0.729 nan 8.250 nan 0.000 0.435 234 A N 1.779 124.515 122.820 -0.139 0.000 2.304 234 A HA 0.423 4.743 4.320 -0.000 0.000 0.271 234 A C 1.425 178.960 177.584 -0.082 0.000 1.091 234 A CA 0.510 52.467 52.037 -0.133 0.000 0.812 234 A CB -0.010 18.905 19.000 -0.141 0.000 1.056 234 A HN 0.799 nan 8.150 nan 0.000 0.489 235 E N -0.009 120.150 120.200 -0.068 0.000 2.187 235 E HA -0.237 4.113 4.350 -0.000 0.000 0.199 235 E C 1.804 178.379 176.600 -0.041 0.000 1.004 235 E CA 2.456 58.829 56.400 -0.047 0.000 0.813 235 E CB -1.591 28.085 29.700 -0.039 0.000 0.736 235 E HN 1.275 nan 8.360 nan 0.000 0.468 236 T N -4.096 110.431 114.554 -0.046 0.000 2.977 236 T HA 0.240 4.590 4.350 -0.000 0.000 0.271 236 T C 2.053 176.731 174.700 -0.036 0.000 1.105 236 T CA 1.315 63.392 62.100 -0.038 0.000 1.116 236 T CB -0.169 68.674 68.868 -0.041 0.000 0.878 236 T HN 1.609 nan 8.240 nan 0.000 0.509 237 G N 0.048 108.823 108.800 -0.042 0.000 2.217 237 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.246 237 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.246 237 G C 0.263 175.139 174.900 -0.039 0.000 0.990 237 G CA 0.296 45.375 45.100 -0.036 0.000 0.627 237 G HN 0.844 nan 8.290 nan 0.000 0.522 238 T N 2.311 116.837 114.554 -0.046 0.000 2.913 238 T HA 0.555 4.904 4.350 -0.000 0.000 0.287 238 T C -2.266 172.394 174.700 -0.067 0.000 1.008 238 T CA -1.131 60.941 62.100 -0.046 0.000 1.067 238 T CB 1.028 69.870 68.868 -0.043 0.000 0.996 238 T HN 0.032 nan 8.240 nan 0.000 0.513 239 P HA 0.086 nan 4.420 nan 0.000 0.263 239 P C 0.237 177.457 177.300 -0.134 0.000 1.175 239 P CA 0.182 63.241 63.100 -0.070 0.000 0.761 239 P CB 0.424 32.106 31.700 -0.030 0.000 0.794 240 R N 2.811 123.166 120.500 -0.241 0.000 2.100 240 R HA 0.079 4.419 4.340 -0.000 0.000 0.220 240 R C 0.020 175.969 176.300 -0.585 0.000 1.091 240 R CA 0.992 56.798 56.100 -0.490 0.000 0.986 240 R CB 0.035 29.867 30.300 -0.780 0.000 0.888 240 R HN 0.312 nan 8.270 nan 0.000 0.444 241 F N 0.607 120.530 119.950 -0.045 0.000 2.469 241 F HA 0.341 4.868 4.527 -0.000 0.000 0.332 241 F C 0.328 176.095 175.800 -0.055 0.000 1.103 241 F CA -1.120 56.844 58.000 -0.060 0.000 0.979 241 F CB 1.824 40.768 39.000 -0.092 0.000 1.137 241 F HN -0.027 nan 8.300 nan 0.000 0.463 242 S N 1.130 116.920 115.700 0.150 0.000 2.669 242 S HA 0.649 5.119 4.470 -0.000 0.000 0.270 242 S C 1.053 175.680 174.600 0.046 0.000 1.225 242 S CA -0.247 57.995 58.200 0.071 0.000 0.991 242 S CB 1.468 64.698 63.200 0.050 0.000 0.987 242 S HN 0.809 nan 8.310 nan 0.000 0.552 243 A N 0.731 123.569 122.820 0.031 0.000 1.908 243 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 243 A C 1.808 179.393 177.584 0.003 0.000 1.181 243 A CA 2.132 54.180 52.037 0.018 0.000 0.627 243 A CB -1.438 17.589 19.000 0.044 0.000 0.818 243 A HN 0.971 nan 8.150 nan 0.000 0.445 244 D N -0.390 120.021 120.400 0.018 0.000 2.104 244 D HA -0.172 4.468 4.640 -0.000 0.000 0.194 244 D C 1.943 178.236 176.300 -0.012 0.000 0.994 244 D CA 1.845 55.853 54.000 0.014 0.000 0.830 244 D CB -0.202 40.612 40.800 0.024 0.000 0.959 244 D HN 0.655 nan 8.370 nan 0.000 0.452 245 E N -0.311 119.883 120.200 -0.010 0.000 2.047 245 E HA -0.097 4.253 4.350 -0.000 0.000 0.191 245 E C 2.491 178.965 176.600 -0.210 0.000 0.987 245 E CA 0.603 56.971 56.400 -0.052 0.000 0.799 245 E CB -0.036 29.705 29.700 0.068 0.000 0.752 245 E HN 0.396 nan 8.360 nan 0.000 0.449 246 I N 1.303 121.720 120.570 -0.256 0.000 2.163 246 I HA -0.277 3.893 4.170 -0.000 0.000 0.243 246 I C 2.395 178.184 176.117 -0.546 0.000 1.085 246 I CA 1.262 62.239 61.300 -0.539 0.000 1.347 246 I CB -0.575 37.123 38.000 -0.503 0.000 1.044 246 I HN 0.122 nan 8.210 nan 0.000 0.408 247 T N 0.545 114.964 114.554 -0.224 0.000 2.720 247 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 247 T C 1.908 176.615 174.700 0.011 0.000 1.037 247 T CA 1.550 63.643 62.100 -0.013 0.000 1.144 247 T CB -0.762 68.150 68.868 0.073 0.000 0.864 247 T HN 0.609 nan 8.240 nan 0.000 0.444 248 G N 1.049 109.816 108.800 -0.055 0.000 2.418 248 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.217 248 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.217 248 G C 1.569 176.391 174.900 -0.129 0.000 1.158 248 G CA 0.634 45.712 45.100 -0.036 0.000 0.771 248 G HN 0.410 nan 8.290 nan 0.000 0.545 249 M N -0.298 119.166 119.600 -0.228 0.000 2.132 249 M HA 0.070 4.550 4.480 -0.000 0.000 0.263 249 M C 2.340 178.612 176.300 -0.047 0.000 1.065 249 M CA 1.017 56.163 55.300 -0.257 0.000 1.122 249 M CB -0.364 31.998 32.600 -0.398 0.000 1.365 249 M HN 0.118 nan 8.290 nan 0.000 0.411 250 F N 0.889 120.771 119.950 -0.113 0.000 2.134 250 F HA -0.160 4.367 4.527 0.000 0.000 0.299 250 F C 2.289 178.158 175.800 0.115 0.000 1.097 250 F CA 1.037 59.019 58.000 -0.030 0.000 1.264 250 F CB -1.138 37.864 39.000 0.002 0.000 1.001 250 F HN 0.084 nan 8.300 nan 0.000 0.479 251 I N -0.908 119.888 120.570 0.376 0.000 2.208 251 I HA -0.357 3.813 4.170 -0.000 0.000 0.245 251 I C 2.703 179.008 176.117 0.313 0.000 1.097 251 I CA 1.655 63.225 61.300 0.449 0.000 1.363 251 I CB -0.632 37.547 38.000 0.298 0.000 1.051 251 I HN 0.129 nan 8.210 nan 0.000 0.413 252 S N 0.868 116.458 115.700 -0.183 0.000 2.359 252 S HA -0.220 4.249 4.470 -0.000 0.000 0.224 252 S C 2.137 176.670 174.600 -0.111 0.000 1.035 252 S CA 1.493 59.286 58.200 -0.678 0.000 1.018 252 S CB -0.191 62.400 63.200 -1.015 0.000 0.876 252 S HN 0.304 nan 8.310 nan 0.000 0.448 253 M N 0.056 119.649 119.600 -0.011 0.000 2.213 253 M HA -0.038 4.442 4.480 -0.000 0.000 0.263 253 M C 2.075 178.427 176.300 0.086 0.000 1.062 253 M CA 1.457 56.775 55.300 0.029 0.000 1.105 253 M CB -0.322 32.288 32.600 0.015 0.000 1.385 253 M HN 0.414 nan 8.290 nan 0.000 0.417 254 M N -2.120 117.599 119.600 0.198 0.000 2.492 254 M HA 0.055 4.535 4.480 -0.000 0.000 0.255 254 M C 1.695 178.203 176.300 0.347 0.000 1.139 254 M CA 0.381 55.796 55.300 0.192 0.000 1.096 254 M CB -0.031 32.622 32.600 0.088 0.000 1.360 254 M HN 0.099 nan 8.290 nan 0.000 0.480 255 F N 1.809 122.002 119.950 0.405 0.000 2.026 255 F HA -0.246 4.281 4.527 0.000 0.000 0.296 255 F C 2.528 178.564 175.800 0.393 0.000 1.133 255 F CA 2.201 60.501 58.000 0.501 0.000 1.188 255 F CB -0.214 39.109 39.000 0.539 0.000 0.968 255 F HN 0.114 nan 8.300 nan 0.000 0.476 256 A N -0.477 122.631 122.820 0.479 0.000 2.024 256 A HA -0.095 4.225 4.320 -0.000 0.000 0.220 256 A C 2.261 179.916 177.584 0.118 0.000 1.164 256 A CA 1.744 53.960 52.037 0.298 0.000 0.643 256 A CB -1.581 17.574 19.000 0.259 0.000 0.806 256 A HN 0.522 nan 8.150 nan 0.000 0.451 257 G N -2.862 106.010 108.800 0.120 0.000 2.887 257 G HA2 0.049 4.009 3.960 -0.000 0.000 0.211 257 G HA3 0.049 4.009 3.960 -0.000 0.000 0.211 257 G C 1.327 176.255 174.900 0.047 0.000 1.152 257 G CA 0.694 45.837 45.100 0.070 0.000 0.769 257 G HN 0.689 nan 8.290 nan 0.000 0.541 258 H N 1.329 120.375 119.070 -0.041 0.000 2.268 258 H HA -0.114 4.442 4.556 -0.000 0.000 0.313 258 H C 2.501 177.799 175.328 -0.050 0.000 1.056 258 H CA 1.703 57.715 56.048 -0.060 0.000 1.369 258 H CB -0.220 29.491 29.762 -0.085 0.000 1.422 258 H HN 0.538 nan 8.280 nan 0.000 0.520 259 H N 0.013 118.946 119.070 -0.229 0.000 2.489 259 H HA -0.078 4.478 4.556 -0.000 0.000 0.293 259 H C 2.055 177.306 175.328 -0.128 0.000 1.066 259 H CA 2.025 57.937 56.048 -0.227 0.000 1.305 259 H CB -0.575 29.120 29.762 -0.112 0.000 1.386 259 H HN 0.364 nan 8.280 nan 0.000 0.551 260 T N -2.812 111.359 114.554 -0.637 0.000 2.896 260 T HA -0.031 4.319 4.350 -0.000 0.000 0.263 260 T C 2.102 176.700 174.700 -0.169 0.000 1.050 260 T CA 0.933 62.795 62.100 -0.396 0.000 1.140 260 T CB -0.466 68.203 68.868 -0.332 0.000 0.877 260 T HN 0.358 nan 8.240 nan 0.000 0.457 261 S N 1.332 116.942 115.700 -0.150 0.000 2.395 261 S HA 0.009 4.479 4.470 -0.000 0.000 0.225 261 S C 2.334 176.846 174.600 -0.147 0.000 1.027 261 S CA 0.913 59.056 58.200 -0.095 0.000 0.965 261 S CB -0.513 62.663 63.200 -0.040 0.000 0.812 261 S HN 0.625 nan 8.310 nan 0.000 0.482 262 S N 1.641 117.225 115.700 -0.192 0.000 2.354 262 S HA -0.101 4.369 4.470 -0.000 0.000 0.219 262 S C 2.159 176.701 174.600 -0.097 0.000 1.035 262 S CA 1.782 59.894 58.200 -0.146 0.000 1.037 262 S CB -1.063 62.008 63.200 -0.216 0.000 0.956 262 S HN 0.560 nan 8.310 nan 0.000 0.428 263 G N 0.015 108.798 108.800 -0.028 0.000 2.440 263 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.218 263 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.218 263 G C 1.523 176.490 174.900 0.113 0.000 1.154 263 G CA 1.530 46.683 45.100 0.088 0.000 0.767 263 G HN 0.585 nan 8.290 nan 0.000 0.552 264 T N 1.454 116.021 114.554 0.022 0.000 2.788 264 T HA 0.068 4.418 4.350 -0.000 0.000 0.268 264 T C 2.782 177.447 174.700 -0.059 0.000 1.044 264 T CA 1.378 63.489 62.100 0.019 0.000 1.139 264 T CB -0.253 68.597 68.868 -0.030 0.000 0.867 264 T HN 0.380 nan 8.240 nan 0.000 0.454 265 A N 1.168 123.842 122.820 -0.243 0.000 1.873 265 A HA -0.038 4.282 4.320 -0.000 0.000 0.215 265 A C 2.630 179.851 177.584 -0.605 0.000 1.186 265 A CA 1.723 53.446 52.037 -0.523 0.000 0.616 265 A CB -0.901 17.390 19.000 -1.183 0.000 0.823 265 A HN 0.406 nan 8.150 nan 0.000 0.442 266 S N -1.390 114.019 115.700 -0.486 0.000 2.359 266 S HA -0.217 4.253 4.470 -0.000 0.000 0.224 266 S C 1.557 176.021 174.600 -0.227 0.000 1.035 266 S CA 1.536 59.643 58.200 -0.155 0.000 1.018 266 S CB -0.479 62.659 63.200 -0.104 0.000 0.876 266 S HN 0.769 nan 8.310 nan 0.000 0.448 267 W N 1.444 122.670 121.300 -0.123 0.000 2.519 267 W HA -0.009 4.651 4.660 -0.000 0.000 0.266 267 W C 2.503 178.949 176.519 -0.122 0.000 1.253 267 W CA 0.708 57.966 57.345 -0.145 0.000 1.274 267 W CB -0.503 28.872 29.460 -0.141 0.000 1.114 267 W HN 0.209 nan 8.180 nan 0.000 0.596 268 T N 0.482 115.056 114.554 0.034 0.000 2.857 268 T HA -0.153 4.197 4.350 -0.000 0.000 0.266 268 T C 1.693 176.243 174.700 -0.249 0.000 1.048 268 T CA 0.992 63.011 62.100 -0.134 0.000 1.139 268 T CB -0.378 68.277 68.868 -0.355 0.000 0.874 268 T HN -0.051 nan 8.240 nan 0.000 0.455 269 L N 0.878 122.010 121.223 -0.150 0.000 2.109 269 L HA 0.222 4.562 4.340 -0.000 0.000 0.207 269 L C 2.002 178.757 176.870 -0.191 0.000 1.086 269 L CA 1.298 56.062 54.840 -0.126 0.000 0.760 269 L CB -0.541 41.576 42.059 0.096 0.000 0.910 269 L HN 0.249 nan 8.230 nan 0.000 0.437 270 I N -0.649 119.785 120.570 -0.227 0.000 2.179 270 I HA -0.220 3.950 4.170 -0.000 0.000 0.242 270 I C 2.284 178.277 176.117 -0.208 0.000 1.088 270 I CA 0.990 62.087 61.300 -0.340 0.000 1.357 270 I CB -0.328 37.362 38.000 -0.516 0.000 1.051 270 I HN 0.251 nan 8.210 nan 0.000 0.409 271 E N 0.638 120.777 120.200 -0.102 0.000 2.150 271 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 271 E C 2.350 178.806 176.600 -0.239 0.000 0.985 271 E CA 0.958 57.236 56.400 -0.204 0.000 0.814 271 E CB -0.177 29.349 29.700 -0.289 0.000 0.752 271 E HN 0.507 nan 8.360 nan 0.000 0.466 272 L N 0.068 121.175 121.223 -0.194 0.000 2.056 272 L HA -0.124 4.215 4.340 -0.000 0.000 0.207 272 L C 2.600 179.488 176.870 0.030 0.000 1.078 272 L CA 1.035 55.782 54.840 -0.156 0.000 0.749 272 L CB -0.328 41.467 42.059 -0.441 0.000 0.901 272 L HN 0.134 nan 8.230 nan 0.000 0.433 273 M N -1.141 118.461 119.600 0.003 0.000 2.296 273 M HA -0.152 4.328 4.480 -0.000 0.000 0.265 273 M C 2.163 178.453 176.300 -0.017 0.000 1.064 273 M CA 1.434 56.814 55.300 0.134 0.000 1.109 273 M CB -0.269 32.356 32.600 0.041 0.000 1.396 273 M HN 0.129 nan 8.290 nan 0.000 0.430 274 R N -0.691 119.688 120.500 -0.203 0.000 2.240 274 R HA 0.015 4.354 4.340 -0.000 0.000 0.203 274 R C -0.033 175.885 176.300 -0.636 0.000 1.011 274 R CA 0.605 56.450 56.100 -0.426 0.000 1.007 274 R CB 0.212 30.154 30.300 -0.596 0.000 0.911 274 R HN 0.380 nan 8.270 nan 0.000 0.468 275 H N -0.039 119.016 119.070 -0.026 0.000 2.716 275 H HA 0.239 4.795 4.556 -0.000 0.000 0.260 275 H C 0.305 175.714 175.328 0.135 0.000 1.280 275 H CA -0.510 55.562 56.048 0.041 0.000 1.506 275 H CB 0.926 30.691 29.762 0.004 0.000 1.514 275 H HN -0.088 nan 8.280 nan 0.000 0.502 276 R N 1.088 121.703 120.500 0.192 0.000 2.105 276 R HA -0.128 4.212 4.340 -0.000 0.000 0.239 276 R C 1.447 177.865 176.300 0.196 0.000 1.135 276 R CA 1.268 57.474 56.100 0.178 0.000 0.967 276 R CB -0.306 30.036 30.300 0.069 0.000 0.861 276 R HN 0.670 nan 8.270 nan 0.000 0.442 277 D N 0.658 121.171 120.400 0.187 0.000 2.104 277 D HA -0.149 4.491 4.640 -0.000 0.000 0.194 277 D C 1.649 178.066 176.300 0.195 0.000 0.994 277 D CA 1.531 55.629 54.000 0.163 0.000 0.830 277 D CB -0.397 40.492 40.800 0.149 0.000 0.959 277 D HN 0.166 nan 8.370 nan 0.000 0.452 278 A N 0.065 123.039 122.820 0.257 0.000 1.898 278 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 278 A C 2.277 180.015 177.584 0.258 0.000 1.181 278 A CA 1.257 53.451 52.037 0.261 0.000 0.620 278 A CB -1.217 18.019 19.000 0.393 0.000 0.819 278 A HN 0.294 nan 8.150 nan 0.000 0.442 279 Y N 0.731 121.111 120.300 0.132 0.000 2.097 279 Y HA -0.177 4.373 4.550 -0.000 0.000 0.282 279 Y C 2.785 178.745 175.900 0.099 0.000 1.152 279 Y CA 1.066 59.229 58.100 0.105 0.000 1.136 279 Y CB -0.951 37.568 38.460 0.098 0.000 0.975 279 Y HN 0.312 nan 8.280 nan 0.000 0.498 280 A N 0.019 123.031 122.820 0.321 0.000 1.933 280 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 280 A C 2.466 180.151 177.584 0.170 0.000 1.175 280 A CA 1.998 54.145 52.037 0.183 0.000 0.628 280 A CB -1.392 17.665 19.000 0.096 0.000 0.814 280 A HN 0.539 nan 8.150 nan 0.000 0.444 281 A N -0.745 122.171 122.820 0.160 0.000 1.969 281 A HA 0.051 4.371 4.320 -0.000 0.000 0.218 281 A C 2.210 179.866 177.584 0.119 0.000 1.169 281 A CA 1.681 53.789 52.037 0.118 0.000 0.635 281 A CB -0.713 18.348 19.000 0.102 0.000 0.810 281 A HN 0.349 nan 8.150 nan 0.000 0.445 282 V N 0.484 120.486 119.914 0.147 0.000 2.323 282 V HA -0.197 3.923 4.120 -0.000 0.000 0.244 282 V C 2.441 178.626 176.094 0.152 0.000 1.041 282 V CA 1.528 63.900 62.300 0.121 0.000 1.025 282 V CB -0.559 31.308 31.823 0.074 0.000 0.656 282 V HN 0.490 nan 8.190 nan 0.000 0.451 283 I N 0.403 121.104 120.570 0.218 0.000 2.099 283 I HA -0.242 3.928 4.170 -0.000 0.000 0.239 283 I C 2.380 178.585 176.117 0.146 0.000 1.066 283 I CA 1.857 63.285 61.300 0.213 0.000 1.324 283 I CB -1.430 36.718 38.000 0.247 0.000 1.037 283 I HN 0.357 nan 8.210 nan 0.000 0.401 284 D N 0.456 120.929 120.400 0.122 0.000 2.133 284 D HA -0.247 4.393 4.640 -0.000 0.000 0.195 284 D C 2.084 178.432 176.300 0.080 0.000 0.997 284 D CA 1.430 55.483 54.000 0.088 0.000 0.840 284 D CB -0.247 40.597 40.800 0.073 0.000 0.947 284 D HN 0.510 nan 8.370 nan 0.000 0.452 285 E N 0.507 120.755 120.200 0.080 0.000 2.051 285 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 285 E C 2.422 179.062 176.600 0.067 0.000 0.991 285 E CA 0.550 56.985 56.400 0.058 0.000 0.799 285 E CB -0.103 29.629 29.700 0.053 0.000 0.748 285 E HN 0.226 nan 8.360 nan 0.000 0.449 286 L N 1.013 122.307 121.223 0.118 0.000 2.017 286 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 286 L C 2.331 179.339 176.870 0.230 0.000 1.073 286 L CA 1.330 56.289 54.840 0.199 0.000 0.745 286 L CB -0.486 41.703 42.059 0.216 0.000 0.894 286 L HN 0.161 nan 8.230 nan 0.000 0.432 287 D N -0.257 120.236 120.400 0.156 0.000 2.144 287 D HA -0.220 4.420 4.640 -0.000 0.000 0.199 287 D C 2.055 178.419 176.300 0.106 0.000 0.984 287 D CA 1.184 55.264 54.000 0.134 0.000 0.834 287 D CB 0.011 40.868 40.800 0.095 0.000 0.955 287 D HN 0.381 nan 8.370 nan 0.000 0.465 288 E N -0.175 120.066 120.200 0.069 0.000 2.107 288 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 288 E C 2.107 178.708 176.600 0.001 0.000 0.982 288 E CA 0.162 56.585 56.400 0.038 0.000 0.809 288 E CB 0.043 29.759 29.700 0.026 0.000 0.756 288 E HN 0.044 nan 8.360 nan 0.000 0.459 289 L N 0.076 121.267 121.223 -0.054 0.000 1.994 289 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 289 L C 1.760 178.418 176.870 -0.354 0.000 1.071 289 L CA 1.747 56.424 54.840 -0.273 0.000 0.745 289 L CB -0.511 41.275 42.059 -0.454 0.000 0.892 289 L HN 0.208 nan 8.230 nan 0.000 0.431 290 Y N -0.576 119.657 120.300 -0.112 0.000 2.583 290 Y HA 0.079 4.629 4.550 -0.000 0.000 0.293 290 Y C 2.286 178.228 175.900 0.070 0.000 1.157 290 Y CA 0.645 58.766 58.100 0.034 0.000 1.315 290 Y CB -0.758 37.736 38.460 0.055 0.000 1.021 290 Y HN 0.247 nan 8.280 nan 0.000 0.536 291 G N 0.174 109.056 108.800 0.136 0.000 2.535 291 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.218 291 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.218 291 G C 1.174 176.124 174.900 0.083 0.000 1.122 291 G CA 1.098 46.258 45.100 0.099 0.000 0.769 291 G HN 0.496 nan 8.290 nan 0.000 0.549 292 D N -0.446 120.010 120.400 0.093 0.000 2.340 292 D HA 0.145 4.785 4.640 -0.000 0.000 0.220 292 D C 1.768 178.101 176.300 0.054 0.000 1.039 292 D CA 0.638 54.679 54.000 0.068 0.000 0.866 292 D CB -0.559 40.288 40.800 0.080 0.000 0.913 292 D HN 0.402 nan 8.370 nan 0.000 0.523 293 G N 0.574 109.435 108.800 0.103 0.000 2.184 293 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.264 293 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.264 293 G C 0.416 175.357 174.900 0.069 0.000 0.975 293 G CA -0.001 45.150 45.100 0.085 0.000 0.642 293 G HN 0.353 nan 8.290 nan 0.000 0.536 294 R N 1.163 121.695 120.500 0.053 0.000 2.643 294 R HA 0.418 4.758 4.340 -0.000 0.000 0.270 294 R C 1.286 177.672 176.300 0.144 0.000 1.061 294 R CA 0.576 56.610 56.100 -0.110 0.000 1.107 294 R CB 0.721 30.733 30.300 -0.479 0.000 0.999 294 R HN 0.695 nan 8.270 nan 0.000 0.460 295 S N -0.034 115.723 115.700 0.094 0.000 2.600 295 S HA 0.055 4.525 4.470 -0.000 0.000 0.265 295 S C 1.552 176.393 174.600 0.401 0.000 1.325 295 S CA -0.875 57.466 58.200 0.235 0.000 1.002 295 S CB 0.891 64.171 63.200 0.133 0.000 0.921 295 S HN 0.295 nan 8.310 nan 0.000 0.554 296 V N 1.986 122.144 119.914 0.407 0.000 2.343 296 V HA -0.178 3.941 4.120 -0.000 0.000 0.247 296 V C 2.997 179.250 176.094 0.264 0.000 1.051 296 V CA 2.299 64.857 62.300 0.430 0.000 1.036 296 V CB -1.630 30.326 31.823 0.222 0.000 0.654 296 V HN 1.083 nan 8.190 nan 0.000 0.451 297 S N -0.083 115.723 115.700 0.176 0.000 2.419 297 S HA -0.246 4.224 4.470 -0.000 0.000 0.235 297 S C 1.883 176.542 174.600 0.100 0.000 1.019 297 S CA 1.804 60.072 58.200 0.113 0.000 0.982 297 S CB -0.724 62.528 63.200 0.088 0.000 0.789 297 S HN 0.578 nan 8.310 nan 0.000 0.490 298 F N 2.278 122.208 119.950 -0.033 0.000 2.219 298 F HA 0.100 4.627 4.527 -0.000 0.000 0.294 298 F C 2.553 178.252 175.800 -0.167 0.000 1.086 298 F CA 1.367 59.281 58.000 -0.145 0.000 1.330 298 F CB -0.227 38.608 39.000 -0.275 0.000 1.047 298 F HN 0.185 nan 8.300 nan 0.000 0.495 299 H N -0.328 118.747 119.070 0.009 0.000 2.448 299 H HA 0.238 4.794 4.556 -0.000 0.000 0.292 299 H C 2.305 177.585 175.328 -0.079 0.000 1.035 299 H CA 0.965 56.933 56.048 -0.133 0.000 1.349 299 H CB -0.672 28.956 29.762 -0.223 0.000 1.425 299 H HN 0.350 nan 8.280 nan 0.000 0.539 300 A N 0.686 123.586 122.820 0.134 0.000 2.178 300 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 300 A C 1.951 179.531 177.584 -0.006 0.000 1.157 300 A CA 0.928 53.014 52.037 0.081 0.000 0.689 300 A CB -0.368 18.681 19.000 0.082 0.000 0.787 300 A HN 0.169 nan 8.150 nan 0.000 0.465 301 L N -1.325 119.857 121.223 -0.069 0.000 2.585 301 L HA 0.259 4.599 4.340 -0.000 0.000 0.226 301 L C 1.082 177.870 176.870 -0.137 0.000 1.113 301 L CA 0.669 55.447 54.840 -0.104 0.000 0.876 301 L CB -0.083 41.898 42.059 -0.130 0.000 1.072 301 L HN 0.240 nan 8.230 nan 0.000 0.468 302 R N -1.258 119.151 120.500 -0.152 0.000 2.902 302 R HA 0.436 4.776 4.340 -0.000 0.000 0.258 302 R C -0.227 176.034 176.300 -0.065 0.000 1.071 302 R CA -0.896 55.120 56.100 -0.140 0.000 1.024 302 R CB 0.804 30.966 30.300 -0.230 0.000 1.184 302 R HN 0.017 nan 8.270 nan 0.000 0.492 303 Q N 1.088 120.856 119.800 -0.054 0.000 2.304 303 Q HA 0.028 4.368 4.340 -0.000 0.000 0.301 303 Q C -0.298 175.686 176.000 -0.027 0.000 1.063 303 Q CA 0.996 56.778 55.803 -0.035 0.000 0.947 303 Q CB 0.412 29.131 28.738 -0.031 0.000 1.201 303 Q HN 0.412 nan 8.270 nan 0.000 0.389 304 I N 4.491 125.050 120.570 -0.018 0.000 2.867 304 I HA 0.118 4.288 4.170 -0.000 0.000 0.282 304 I C -2.054 174.059 176.117 -0.007 0.000 1.437 304 I CA -1.747 59.547 61.300 -0.010 0.000 0.918 304 I CB 1.161 39.170 38.000 0.014 0.000 1.612 304 I HN 0.358 nan 8.210 nan 0.000 0.592 305 P HA -0.273 nan 4.420 nan 0.000 0.214 305 P C 1.475 178.773 177.300 -0.004 0.000 1.164 305 P CA 1.735 64.829 63.100 -0.010 0.000 0.942 305 P CB 0.156 31.851 31.700 -0.008 0.000 0.791 306 Q N -1.293 118.511 119.800 0.007 0.000 2.096 306 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 306 Q C 2.210 178.216 176.000 0.009 0.000 0.982 306 Q CA 1.283 57.096 55.803 0.017 0.000 0.850 306 Q CB -1.423 27.336 28.738 0.035 0.000 0.901 306 Q HN 0.241 nan 8.270 nan 0.000 0.422 307 L N 1.213 122.438 121.223 0.003 0.000 2.156 307 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 307 L C 1.865 178.714 176.870 -0.035 0.000 1.095 307 L CA 1.616 56.442 54.840 -0.023 0.000 0.770 307 L CB -0.257 41.798 42.059 -0.007 0.000 0.914 307 L HN 0.145 nan 8.230 nan 0.000 0.439 308 E N -0.793 119.392 120.200 -0.025 0.000 2.107 308 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 308 E C 1.631 178.186 176.600 -0.075 0.000 0.982 308 E CA 0.908 57.284 56.400 -0.040 0.000 0.809 308 E CB -0.037 29.641 29.700 -0.037 0.000 0.756 308 E HN 0.537 nan 8.360 nan 0.000 0.459 309 N N 0.347 119.018 118.700 -0.049 0.000 2.300 309 N HA -0.085 4.655 4.740 -0.000 0.000 0.179 309 N C 1.894 177.383 175.510 -0.034 0.000 1.016 309 N CA 0.589 53.620 53.050 -0.032 0.000 0.876 309 N CB -0.029 38.485 38.487 0.045 0.000 0.979 309 N HN -0.000 nan 8.380 nan 0.000 0.432 310 V N 1.536 121.442 119.914 -0.013 0.000 2.358 310 V HA -0.159 3.961 4.120 -0.000 0.000 0.246 310 V C 2.363 178.495 176.094 0.063 0.000 1.047 310 V CA 0.969 63.307 62.300 0.064 0.000 1.035 310 V CB -0.483 31.409 31.823 0.116 0.000 0.658 310 V HN 0.172 nan 8.190 nan 0.000 0.452 311 L N 0.363 121.574 121.223 -0.020 0.000 1.994 311 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 311 L C 2.413 179.258 176.870 -0.041 0.000 1.071 311 L CA 2.032 56.854 54.840 -0.031 0.000 0.745 311 L CB -0.786 41.250 42.059 -0.038 0.000 0.892 311 L HN 0.199 nan 8.230 nan 0.000 0.431 312 K N -0.659 119.664 120.400 -0.129 0.000 2.063 312 K HA -0.258 4.062 4.320 -0.000 0.000 0.208 312 K C 2.097 178.627 176.600 -0.117 0.000 1.048 312 K CA 1.736 57.903 56.287 -0.200 0.000 0.928 312 K CB -0.200 31.785 32.500 -0.858 0.000 0.713 312 K HN 0.321 nan 8.250 nan 0.000 0.442 313 E N 0.448 120.620 120.200 -0.047 0.000 2.106 313 E HA -0.102 4.248 4.350 -0.000 0.000 0.192 313 E C 1.686 178.355 176.600 0.115 0.000 0.984 313 E CA 1.527 58.029 56.400 0.171 0.000 0.806 313 E CB -0.106 29.553 29.700 -0.069 0.000 0.750 313 E HN 0.130 nan 8.360 nan 0.000 0.458 314 T N 0.611 115.265 114.554 0.167 0.000 2.821 314 T HA -0.063 4.286 4.350 -0.000 0.000 0.267 314 T C 1.725 176.424 174.700 -0.001 0.000 1.046 314 T CA 1.119 63.341 62.100 0.203 0.000 1.139 314 T CB -0.184 68.815 68.868 0.217 0.000 0.871 314 T HN 0.135 nan 8.240 nan 0.000 0.454 315 L N 0.338 121.499 121.223 -0.103 0.000 2.201 315 L HA 0.021 4.361 4.340 -0.000 0.000 0.212 315 L C 2.800 179.423 176.870 -0.412 0.000 1.105 315 L CA 0.986 55.648 54.840 -0.297 0.000 0.775 315 L CB -0.353 41.431 42.059 -0.457 0.000 0.913 315 L HN 0.143 nan 8.230 nan 0.000 0.440 316 R N 0.412 120.729 120.500 -0.305 0.000 2.062 316 R HA -0.106 4.234 4.340 -0.000 0.000 0.229 316 R C 2.245 178.331 176.300 -0.357 0.000 1.128 316 R CA 1.201 57.076 56.100 -0.375 0.000 0.960 316 R CB -0.045 30.203 30.300 -0.088 0.000 0.855 316 R HN 0.299 nan 8.270 nan 0.000 0.432 317 L N -0.535 120.473 121.223 -0.360 0.000 2.179 317 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 317 L C 0.654 177.019 176.870 -0.842 0.000 1.096 317 L CA 0.694 55.187 54.840 -0.578 0.000 0.779 317 L CB -0.028 41.611 42.059 -0.700 0.000 0.922 317 L HN 0.286 nan 8.230 nan 0.000 0.443 318 H N -0.327 118.537 119.070 -0.343 0.000 2.386 318 H HA 0.273 4.829 4.556 -0.000 0.000 0.232 318 H C -2.320 172.804 175.328 -0.339 0.000 1.416 318 H CA -2.184 53.571 56.048 -0.489 0.000 1.285 318 H CB -0.214 28.965 29.762 -0.971 0.000 1.625 318 H HN 0.070 nan 8.280 nan 0.000 0.521 319 P HA 0.031 nan 4.420 nan 0.000 0.266 319 P C -1.711 175.535 177.300 -0.091 0.000 1.215 319 P CA -0.945 62.026 63.100 -0.215 0.000 0.763 319 P CB 1.691 33.247 31.700 -0.239 0.000 0.806 320 P HA -0.101 nan 4.420 nan 0.000 0.219 320 P C 0.206 177.592 177.300 0.142 0.000 1.146 320 P CA 1.191 64.323 63.100 0.055 0.000 0.808 320 P CB 0.280 31.979 31.700 -0.002 0.000 0.779 321 L N 0.970 122.254 121.223 0.102 0.000 2.277 321 L HA 0.290 4.630 4.340 -0.000 0.000 0.284 321 L C 1.703 178.636 176.870 0.104 0.000 1.028 321 L CA -0.335 54.604 54.840 0.165 0.000 0.835 321 L CB 0.891 43.067 42.059 0.197 0.000 1.215 321 L HN -0.132 nan 8.230 nan 0.000 0.425 322 I N 0.594 121.229 120.570 0.108 0.000 3.419 322 I HA 0.302 4.472 4.170 -0.000 0.000 0.286 322 I C 0.528 176.706 176.117 0.101 0.000 1.268 322 I CA 0.672 62.007 61.300 0.059 0.000 1.414 322 I CB 0.332 38.337 38.000 0.008 0.000 1.074 322 I HN 0.438 nan 8.210 nan 0.000 0.457 323 I N 1.428 122.109 120.570 0.185 0.000 2.752 323 I HA 0.412 4.582 4.170 -0.000 0.000 0.295 323 I C -1.805 174.494 176.117 0.304 0.000 1.219 323 I CA -0.853 60.588 61.300 0.235 0.000 1.030 323 I CB 2.388 40.595 38.000 0.345 0.000 1.259 323 I HN -0.037 nan 8.210 nan 0.000 0.423 324 L N 7.484 128.859 121.223 0.254 0.000 2.342 324 L HA 0.508 4.848 4.340 -0.000 0.000 0.276 324 L C -0.566 176.532 176.870 0.380 0.000 0.997 324 L CA -0.685 54.383 54.840 0.380 0.000 0.838 324 L CB 1.575 43.852 42.059 0.364 0.000 1.224 324 L HN 0.500 nan 8.230 nan 0.000 0.416 325 M N 3.470 123.281 119.600 0.353 0.000 2.342 325 M HA 0.595 5.074 4.480 -0.000 0.000 0.332 325 M C -0.131 176.159 176.300 -0.016 0.000 1.166 325 M CA -0.272 55.061 55.300 0.055 0.000 1.086 325 M CB 1.513 33.943 32.600 -0.283 0.000 1.541 325 M HN 0.508 nan 8.290 nan 0.000 0.462 326 R N 0.461 120.945 120.500 -0.026 0.000 2.734 326 R HA 0.710 5.050 4.340 -0.000 0.000 0.271 326 R C -1.718 174.546 176.300 -0.060 0.000 1.021 326 R CA -0.790 55.263 56.100 -0.079 0.000 0.893 326 R CB 1.803 32.016 30.300 -0.145 0.000 1.244 326 R HN 0.499 nan 8.270 nan 0.000 0.464 327 V N 1.138 121.020 119.914 -0.055 0.000 2.448 327 V HA 0.509 4.629 4.120 -0.000 0.000 0.295 327 V C 0.113 176.225 176.094 0.030 0.000 1.025 327 V CA -1.051 61.240 62.300 -0.016 0.000 0.859 327 V CB 1.637 33.446 31.823 -0.022 0.000 0.988 327 V HN 0.889 nan 8.190 nan 0.000 0.431 328 A N 4.424 127.291 122.820 0.079 0.000 2.454 328 A HA 0.381 4.701 4.320 -0.000 0.000 0.260 328 A C 0.791 178.440 177.584 0.109 0.000 1.106 328 A CA -0.049 52.101 52.037 0.188 0.000 0.780 328 A CB 0.058 19.176 19.000 0.196 0.000 1.044 328 A HN 0.902 nan 8.150 nan 0.000 0.498 329 K N 2.053 122.552 120.400 0.165 0.000 2.440 329 K HA 0.317 4.637 4.320 -0.000 0.000 0.206 329 K C 0.607 177.220 176.600 0.022 0.000 1.025 329 K CA 0.490 56.823 56.287 0.078 0.000 1.135 329 K CB 0.658 33.207 32.500 0.082 0.000 0.856 329 K HN 0.841 nan 8.250 nan 0.000 0.502 330 G N 0.308 109.013 108.800 -0.158 0.000 2.548 330 G HA2 0.157 4.117 3.960 -0.000 0.000 0.301 330 G HA3 0.157 4.117 3.960 -0.000 0.000 0.301 330 G C -1.674 172.550 174.900 -1.126 0.000 1.349 330 G CA -0.607 44.196 45.100 -0.495 0.000 0.792 330 G HN -0.047 nan 8.290 nan 0.000 0.481 331 E N -0.015 119.616 120.200 -0.949 0.000 2.146 331 E HA 0.539 4.889 4.350 -0.000 0.000 0.282 331 E C -1.165 174.920 176.600 -0.858 0.000 0.989 331 E CA -0.100 55.820 56.400 -0.801 0.000 0.799 331 E CB 1.194 30.656 29.700 -0.396 0.000 1.088 331 E HN 0.277 nan 8.360 nan 0.000 0.397 332 F N 0.944 120.843 119.950 -0.086 0.000 2.603 332 F HA 0.356 4.883 4.527 -0.000 0.000 0.317 332 F C 0.282 175.989 175.800 -0.154 0.000 1.066 332 F CA -1.045 56.922 58.000 -0.056 0.000 0.941 332 F CB 1.862 40.909 39.000 0.077 0.000 1.291 332 F HN 0.259 nan 8.300 nan 0.000 0.472 333 E N 1.684 121.905 120.200 0.034 0.000 2.185 333 E HA 0.564 4.914 4.350 -0.000 0.000 0.261 333 E C -1.971 174.517 176.600 -0.188 0.000 0.879 333 E CA -0.519 55.836 56.400 -0.075 0.000 0.756 333 E CB 1.936 31.608 29.700 -0.046 0.000 1.152 333 E HN 0.482 nan 8.360 nan 0.000 0.416 334 V N 5.703 125.483 119.914 -0.222 0.000 2.376 334 V HA 0.168 4.288 4.120 -0.000 0.000 0.287 334 V C -0.156 175.912 176.094 -0.043 0.000 1.015 334 V CA -0.501 61.630 62.300 -0.282 0.000 0.834 334 V CB 1.117 32.637 31.823 -0.505 0.000 1.001 334 V HN 0.918 nan 8.190 nan 0.000 0.428 335 Q N 3.372 123.182 119.800 0.018 0.000 2.463 335 Q HA -0.241 4.099 4.340 -0.000 0.000 0.299 335 Q C 1.227 177.132 176.000 -0.158 0.000 1.353 335 Q CA 0.791 56.609 55.803 0.027 0.000 0.828 335 Q CB -1.333 27.490 28.738 0.142 0.000 1.157 335 Q HN 1.589 nan 8.270 nan 0.000 0.436 336 G N -0.632 108.059 108.800 -0.181 0.000 2.168 336 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.263 336 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.263 336 G C -0.216 174.433 174.900 -0.418 0.000 0.977 336 G CA 0.482 45.409 45.100 -0.288 0.000 0.659 336 G HN 0.599 nan 8.290 nan 0.000 0.533 337 H N -0.553 118.484 119.070 -0.054 0.000 2.466 337 H HA 0.586 5.142 4.556 -0.000 0.000 0.338 337 H C 0.374 175.653 175.328 -0.082 0.000 1.091 337 H CA -0.730 55.286 56.048 -0.054 0.000 1.207 337 H CB 1.667 31.398 29.762 -0.052 0.000 1.466 337 H HN 0.245 nan 8.280 nan 0.000 0.493 338 R N 2.744 123.270 120.500 0.043 0.000 2.254 338 R HA 0.379 4.719 4.340 -0.000 0.000 0.318 338 R C -0.687 175.549 176.300 -0.107 0.000 1.031 338 R CA -0.284 55.763 56.100 -0.089 0.000 0.905 338 R CB 0.154 30.372 30.300 -0.137 0.000 1.050 338 R HN 0.544 nan 8.270 nan 0.000 0.456 339 I N 4.395 124.863 120.570 -0.171 0.000 2.377 339 I HA 0.286 4.456 4.170 -0.000 0.000 0.293 339 I C -0.296 175.643 176.117 -0.297 0.000 0.987 339 I CA -0.874 60.373 61.300 -0.088 0.000 1.185 339 I CB 1.509 39.555 38.000 0.077 0.000 1.341 339 I HN 0.698 nan 8.210 nan 0.000 0.455 340 H N 3.191 122.211 119.070 -0.083 0.000 2.567 340 H HA 0.264 4.820 4.556 -0.000 0.000 0.345 340 H C -0.405 174.847 175.328 -0.126 0.000 1.169 340 H CA -0.754 55.219 56.048 -0.125 0.000 1.227 340 H CB 1.024 30.735 29.762 -0.085 0.000 1.607 340 H HN 0.479 nan 8.280 nan 0.000 0.534 341 E N 0.650 120.828 120.200 -0.036 0.000 2.415 341 E HA 0.185 4.535 4.350 -0.000 0.000 0.263 341 E C 0.600 177.200 176.600 -0.000 0.000 0.995 341 E CA 0.941 57.311 56.400 -0.050 0.000 0.915 341 E CB -0.061 29.599 29.700 -0.067 0.000 0.951 341 E HN 0.905 nan 8.360 nan 0.000 0.449 342 G N 4.046 112.848 108.800 0.003 0.000 2.232 342 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.226 342 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.226 342 G C -0.143 174.758 174.900 0.003 0.000 0.996 342 G CA -0.009 45.093 45.100 0.004 0.000 0.626 342 G HN 0.640 nan 8.290 nan 0.000 0.509 343 D N 0.736 121.144 120.400 0.013 0.000 2.399 343 D HA 0.420 5.059 4.640 -0.000 0.000 0.241 343 D C 0.940 177.233 176.300 -0.013 0.000 1.133 343 D CA 0.157 54.157 54.000 -0.000 0.000 0.890 343 D CB 0.783 41.600 40.800 0.029 0.000 1.201 343 D HN 0.296 nan 8.370 nan 0.000 0.432 344 L N 2.029 123.213 121.223 -0.065 0.000 2.276 344 L HA 0.300 4.640 4.340 -0.000 0.000 0.286 344 L C -0.237 176.593 176.870 -0.067 0.000 1.061 344 L CA -0.665 54.123 54.840 -0.086 0.000 0.807 344 L CB 1.193 43.141 42.059 -0.185 0.000 1.177 344 L HN -0.020 nan 8.230 nan 0.000 0.429 345 V N 2.843 122.768 119.914 0.018 0.000 2.555 345 V HA 0.840 4.960 4.120 -0.000 0.000 0.302 345 V C -0.033 176.190 176.094 0.214 0.000 1.038 345 V CA -0.494 61.870 62.300 0.107 0.000 0.887 345 V CB 1.677 33.617 31.823 0.195 0.000 0.991 345 V HN 0.876 nan 8.190 nan 0.000 0.434 346 A N 3.289 126.199 122.820 0.149 0.000 2.549 346 A HA 0.975 5.295 4.320 -0.000 0.000 0.297 346 A C -0.561 176.853 177.584 -0.284 0.000 1.061 346 A CA -0.176 51.898 52.037 0.062 0.000 0.690 346 A CB 1.843 20.870 19.000 0.045 0.000 1.287 346 A HN 1.383 nan 8.150 nan 0.000 0.402 347 A N 0.352 122.735 122.820 -0.728 0.000 2.330 347 A HA 0.891 5.210 4.320 -0.000 0.000 0.329 347 A C 0.024 177.466 177.584 -0.236 0.000 1.135 347 A CA -0.126 51.471 52.037 -0.733 0.000 0.817 347 A CB 1.337 19.469 19.000 -1.447 0.000 1.269 347 A HN 1.923 nan 8.150 nan 0.000 0.469 348 S N 1.101 116.746 115.700 -0.093 0.000 2.789 348 S HA 0.545 5.015 4.470 -0.000 0.000 0.286 348 S C -2.369 172.248 174.600 0.029 0.000 1.153 348 S CA -1.231 56.975 58.200 0.010 0.000 1.084 348 S CB 1.269 64.488 63.200 0.031 0.000 1.036 348 S HN 0.319 nan 8.310 nan 0.000 0.484 349 P HA -0.001 nan 4.420 nan 0.000 0.217 349 P C 1.523 178.784 177.300 -0.065 0.000 1.150 349 P CA 1.295 64.380 63.100 -0.024 0.000 0.832 349 P CB 0.120 31.782 31.700 -0.064 0.000 0.787 350 A N -0.368 122.422 122.820 -0.050 0.000 1.892 350 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 350 A C 2.060 179.618 177.584 -0.044 0.000 1.188 350 A CA 1.760 53.755 52.037 -0.069 0.000 0.631 350 A CB -1.446 17.515 19.000 -0.065 0.000 0.822 350 A HN 0.047 nan 8.150 nan 0.000 0.447 351 I N -0.758 119.806 120.570 -0.010 0.000 2.296 351 I HA -0.066 4.104 4.170 -0.000 0.000 0.242 351 I C 2.603 178.751 176.117 0.052 0.000 1.087 351 I CA 1.407 62.718 61.300 0.018 0.000 1.393 351 I CB -1.648 36.365 38.000 0.022 0.000 1.093 351 I HN 0.203 nan 8.210 nan 0.000 0.421 352 S N 1.743 117.485 115.700 0.070 0.000 2.370 352 S HA -0.181 4.289 4.470 -0.000 0.000 0.226 352 S C 1.623 176.359 174.600 0.226 0.000 1.033 352 S CA 1.460 59.746 58.200 0.143 0.000 1.011 352 S CB -0.405 62.894 63.200 0.166 0.000 0.852 352 S HN 0.441 nan 8.310 nan 0.000 0.457 353 N N 1.054 119.810 118.700 0.093 0.000 2.513 353 N HA -0.052 4.688 4.740 -0.000 0.000 0.187 353 N C 0.899 176.403 175.510 -0.009 0.000 1.056 353 N CA 0.708 53.729 53.050 -0.049 0.000 0.907 353 N CB -0.095 38.217 38.487 -0.292 0.000 0.954 353 N HN 0.425 nan 8.380 nan 0.000 0.445 354 R N -0.175 120.390 120.500 0.109 0.000 2.577 354 R HA 0.302 4.642 4.340 -0.000 0.000 0.344 354 R C -0.171 176.200 176.300 0.119 0.000 1.037 354 R CA -0.279 55.867 56.100 0.075 0.000 1.102 354 R CB 0.614 30.893 30.300 -0.035 0.000 1.313 354 R HN 0.140 nan 8.270 nan 0.000 0.561 355 I N 4.867 125.580 120.570 0.237 0.000 2.578 355 I HA -0.020 4.150 4.170 -0.000 0.000 0.286 355 I C -0.952 175.195 176.117 0.050 0.000 1.126 355 I CA -1.341 60.024 61.300 0.109 0.000 1.380 355 I CB 0.944 38.993 38.000 0.083 0.000 1.408 355 I HN -0.122 nan 8.210 nan 0.000 0.532 356 P HA -0.231 nan 4.420 nan 0.000 0.216 356 P C 0.928 178.198 177.300 -0.051 0.000 1.154 356 P CA 1.611 64.696 63.100 -0.024 0.000 0.865 356 P CB 0.276 31.960 31.700 -0.025 0.000 0.789 357 E N -0.284 119.879 120.200 -0.062 0.000 2.204 357 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 357 E C 1.733 178.236 176.600 -0.162 0.000 0.990 357 E CA 1.177 57.527 56.400 -0.083 0.000 0.821 357 E CB -0.647 29.019 29.700 -0.058 0.000 0.750 357 E HN 0.387 nan 8.360 nan 0.000 0.477 358 D N -0.976 119.256 120.400 -0.279 0.000 2.262 358 D HA 0.021 4.661 4.640 -0.000 0.000 0.212 358 D C -0.249 175.585 176.300 -0.777 0.000 0.964 358 D CA 0.599 54.233 54.000 -0.612 0.000 0.875 358 D CB 0.260 40.491 40.800 -0.948 0.000 0.996 358 D HN 0.124 nan 8.370 nan 0.000 0.497 359 F N 1.168 121.104 119.950 -0.023 0.000 2.532 359 F HA 0.366 4.892 4.527 -0.000 0.000 0.365 359 F C -2.361 173.393 175.800 -0.078 0.000 1.112 359 F CA -2.826 55.142 58.000 -0.053 0.000 1.082 359 F CB 1.431 40.416 39.000 -0.024 0.000 1.319 359 F HN -0.364 nan 8.300 nan 0.000 0.457 360 P HA -0.047 nan 4.420 nan 0.000 0.264 360 P C -0.074 177.225 177.300 -0.001 0.000 1.183 360 P CA 0.548 63.647 63.100 -0.002 0.000 0.763 360 P CB 0.398 32.083 31.700 -0.024 0.000 0.807 361 D N 2.532 122.925 120.400 -0.012 0.000 2.735 361 D HA -0.144 4.496 4.640 -0.000 0.000 0.235 361 D C -1.110 175.172 176.300 -0.031 0.000 1.175 361 D CA 0.307 54.301 54.000 -0.010 0.000 0.683 361 D CB -0.438 40.365 40.800 0.005 0.000 1.008 361 D HN 0.402 nan 8.370 nan 0.000 0.416 362 P HA -0.176 nan 4.420 nan 0.000 0.221 362 P C 0.996 178.192 177.300 -0.173 0.000 1.145 362 P CA 1.224 64.249 63.100 -0.126 0.000 0.795 362 P CB 0.119 31.720 31.700 -0.165 0.000 0.775 363 H N -0.935 118.151 119.070 0.026 0.000 2.539 363 H HA 0.204 4.760 4.556 -0.000 0.000 0.269 363 H C 0.288 175.642 175.328 0.042 0.000 0.980 363 H CA 0.094 56.154 56.048 0.020 0.000 1.152 363 H CB 0.018 29.798 29.762 0.031 0.000 1.407 363 H HN 0.265 nan 8.280 nan 0.000 0.564 364 D N 0.363 120.833 120.400 0.116 0.000 2.181 364 D HA 0.031 4.671 4.640 -0.000 0.000 0.248 364 D C -0.386 175.964 176.300 0.082 0.000 1.020 364 D CA -0.644 53.425 54.000 0.114 0.000 0.891 364 D CB 1.748 42.595 40.800 0.079 0.000 1.187 364 D HN 0.004 nan 8.370 nan 0.000 0.443 365 F N 2.501 122.417 119.950 -0.057 0.000 2.464 365 F HA 0.172 4.699 4.527 -0.000 0.000 0.353 365 F C -0.383 175.316 175.800 -0.168 0.000 1.191 365 F CA -0.307 57.603 58.000 -0.149 0.000 1.147 365 F CB 0.072 38.850 39.000 -0.370 0.000 1.294 365 F HN -0.052 nan 8.300 nan 0.000 0.583 366 V N 9.224 128.869 119.914 -0.448 0.000 2.313 366 V HA 0.180 4.300 4.120 -0.000 0.000 0.262 366 V C -1.723 174.103 176.094 -0.446 0.000 1.011 366 V CA -1.159 60.914 62.300 -0.377 0.000 0.858 366 V CB 0.840 32.531 31.823 -0.220 0.000 1.104 366 V HN 0.519 nan 8.190 nan 0.000 0.456 367 P HA -0.182 nan 4.420 nan 0.000 0.222 367 P C 1.567 178.776 177.300 -0.151 0.000 1.142 367 P CA 1.511 64.436 63.100 -0.293 0.000 0.788 367 P CB 0.351 31.880 31.700 -0.285 0.000 0.767 368 A N 0.649 123.351 122.820 -0.197 0.000 2.066 368 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 368 A C 2.158 179.606 177.584 -0.225 0.000 1.157 368 A CA 0.890 52.834 52.037 -0.154 0.000 0.670 368 A CB -1.017 17.912 19.000 -0.118 0.000 0.804 368 A HN 0.261 nan 8.150 nan 0.000 0.453 369 R N -1.846 118.423 120.500 -0.385 0.000 2.293 369 R HA -0.118 4.222 4.340 -0.000 0.000 0.219 369 R C 0.654 176.579 176.300 -0.624 0.000 1.091 369 R CA 1.559 57.359 56.100 -0.500 0.000 1.004 369 R CB -0.538 29.399 30.300 -0.605 0.000 0.865 369 R HN 0.512 nan 8.270 nan 0.000 0.469 370 Y N 1.028 121.230 120.300 -0.164 0.000 2.449 370 Y HA 0.298 4.848 4.550 -0.000 0.000 0.254 370 Y C 0.097 175.909 175.900 -0.146 0.000 1.140 370 Y CA -0.843 57.142 58.100 -0.192 0.000 1.272 370 Y CB 0.224 38.553 38.460 -0.218 0.000 1.114 370 Y HN 0.072 nan 8.280 nan 0.000 0.525 371 E N 1.272 121.450 120.200 -0.036 0.000 2.413 371 E HA -0.073 4.277 4.350 -0.000 0.000 0.263 371 E C 0.804 177.378 176.600 -0.044 0.000 1.015 371 E CA -0.092 56.288 56.400 -0.033 0.000 0.916 371 E CB 0.538 30.211 29.700 -0.044 0.000 0.947 371 E HN 0.269 nan 8.360 nan 0.000 0.440 372 Q N 2.378 122.157 119.800 -0.035 0.000 2.175 372 Q HA -0.289 4.051 4.340 -0.000 0.000 0.234 372 Q C -0.721 175.251 176.000 -0.046 0.000 1.081 372 Q CA 2.711 58.491 55.803 -0.039 0.000 0.940 372 Q CB -1.821 26.898 28.738 -0.032 0.000 1.032 372 Q HN 0.521 nan 8.270 nan 0.000 0.478 373 P HA -0.162 nan 4.420 nan 0.000 0.215 373 P C 1.279 178.544 177.300 -0.059 0.000 1.157 373 P CA 1.807 64.879 63.100 -0.046 0.000 0.874 373 P CB -0.263 31.412 31.700 -0.041 0.000 0.790 374 R N 0.052 120.509 120.500 -0.071 0.000 2.070 374 R HA -0.092 4.248 4.340 -0.000 0.000 0.232 374 R C 0.638 176.875 176.300 -0.105 0.000 1.138 374 R CA 1.068 57.111 56.100 -0.094 0.000 0.936 374 R CB -0.837 29.391 30.300 -0.120 0.000 0.839 374 R HN 0.112 nan 8.270 nan 0.000 0.429 375 Q N 0.486 120.223 119.800 -0.104 0.000 2.402 375 Q HA -0.224 4.116 4.340 -0.000 0.000 0.370 375 Q C 0.053 175.983 176.000 -0.117 0.000 1.334 375 Q CA 0.712 56.459 55.803 -0.093 0.000 1.151 375 Q CB -0.506 28.184 28.738 -0.080 0.000 1.324 375 Q HN 0.559 nan 8.270 nan 0.000 0.332 376 E N 0.696 120.797 120.200 -0.164 0.000 2.268 376 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 376 E C 1.383 177.961 176.600 -0.038 0.000 0.995 376 E CA 1.078 57.434 56.400 -0.074 0.000 0.836 376 E CB 0.073 29.766 29.700 -0.011 0.000 0.763 376 E HN 0.679 nan 8.360 nan 0.000 0.491 377 D N 1.184 121.415 120.400 -0.282 0.000 2.144 377 D HA -0.174 4.466 4.640 -0.000 0.000 0.200 377 D C 1.968 178.098 176.300 -0.283 0.000 0.978 377 D CA 0.815 54.368 54.000 -0.746 0.000 0.833 377 D CB -0.406 39.447 40.800 -1.578 0.000 0.961 377 D HN 0.247 nan 8.370 nan 0.000 0.470 378 L N -0.674 120.427 121.223 -0.203 0.000 2.270 378 L HA -0.005 4.335 4.340 -0.000 0.000 0.210 378 L C 1.991 178.803 176.870 -0.096 0.000 1.104 378 L CA 0.229 54.990 54.840 -0.132 0.000 0.804 378 L CB -0.102 41.886 42.059 -0.118 0.000 0.937 378 L HN -0.001 nan 8.230 nan 0.000 0.450 379 L N -0.635 120.541 121.223 -0.078 0.000 2.554 379 L HA 0.047 4.387 4.340 -0.000 0.000 0.226 379 L C 0.652 177.489 176.870 -0.054 0.000 1.137 379 L CA 0.987 55.788 54.840 -0.066 0.000 0.863 379 L CB -0.457 41.561 42.059 -0.068 0.000 0.985 379 L HN 0.204 nan 8.230 nan 0.000 0.451 380 N N -0.468 118.226 118.700 -0.010 0.000 2.818 380 N HA 0.130 4.870 4.740 -0.000 0.000 0.301 380 N C 1.233 176.782 175.510 0.065 0.000 1.821 380 N CA -0.089 52.982 53.050 0.035 0.000 0.930 380 N CB 0.717 39.237 38.487 0.055 0.000 1.263 380 N HN 0.161 nan 8.380 nan 0.000 0.487 381 R N 0.076 120.489 120.500 -0.145 0.000 2.133 381 R HA -0.134 4.206 4.340 -0.000 0.000 0.247 381 R C 0.449 176.431 176.300 -0.529 0.000 1.151 381 R CA 1.934 57.768 56.100 -0.443 0.000 0.971 381 R CB 0.071 29.899 30.300 -0.787 0.000 0.866 381 R HN 0.392 nan 8.270 nan 0.000 0.447 382 W N -1.082 120.305 121.300 0.144 0.000 3.220 382 W HA 0.174 4.834 4.660 -0.000 0.000 0.328 382 W C 1.420 178.070 176.519 0.217 0.000 1.205 382 W CA 0.285 57.734 57.345 0.173 0.000 1.773 382 W CB 0.700 30.279 29.460 0.198 0.000 1.086 382 W HN 0.166 nan 8.180 nan 0.000 0.622 383 T N -5.592 109.184 114.554 0.370 0.000 2.955 383 T HA 0.016 4.366 4.350 -0.000 0.000 0.251 383 T C 0.120 175.116 174.700 0.494 0.000 1.002 383 T CA -0.252 62.083 62.100 0.393 0.000 0.970 383 T CB -0.339 68.714 68.868 0.309 0.000 1.091 383 T HN 0.017 nan 8.240 nan 0.000 0.495 384 W N 4.285 125.795 121.300 0.350 0.000 2.226 384 W HA 0.537 5.197 4.660 0.000 0.000 0.379 384 W C 0.119 176.670 176.519 0.054 0.000 0.923 384 W CA -1.842 55.630 57.345 0.211 0.000 1.524 384 W CB 0.056 29.656 29.460 0.234 0.000 1.552 384 W HN 0.369 nan 8.180 nan 0.000 0.337 385 I N 4.462 124.937 120.570 -0.159 0.000 3.531 385 I HA 0.333 4.503 4.170 -0.000 0.000 0.341 385 I C -1.391 174.536 176.117 -0.316 0.000 1.550 385 I CA -1.671 59.520 61.300 -0.182 0.000 1.087 385 I CB 0.412 38.409 38.000 -0.004 0.000 1.408 385 I HN 0.002 nan 8.210 nan 0.000 0.484 386 P HA -0.115 nan 4.420 nan 0.000 0.220 386 P C 0.873 177.873 177.300 -0.499 0.000 1.148 386 P CA 1.433 64.121 63.100 -0.687 0.000 0.803 386 P CB 0.006 31.040 31.700 -1.110 0.000 0.782 387 F N -0.411 119.404 119.950 -0.226 0.000 2.653 387 F HA 0.422 4.949 4.527 -0.000 0.000 0.304 387 F C 1.781 177.558 175.800 -0.038 0.000 1.092 387 F CA 0.451 58.401 58.000 -0.085 0.000 1.279 387 F CB -0.284 38.687 39.000 -0.049 0.000 1.044 387 F HN 0.052 nan 8.300 nan 0.000 0.564 388 G N 0.889 109.730 108.800 0.068 0.000 2.632 388 G HA2 0.265 4.225 3.960 -0.000 0.000 0.224 388 G HA3 0.265 4.225 3.960 -0.000 0.000 0.224 388 G C -0.682 174.017 174.900 -0.335 0.000 1.341 388 G CA -0.418 44.670 45.100 -0.019 0.000 0.880 388 G HN 0.938 nan 8.290 nan 0.000 0.566 389 A N -1.962 120.481 122.820 -0.628 0.000 2.586 389 A HA 1.176 5.496 4.320 -0.000 0.000 0.291 389 A C 1.098 178.634 177.584 -0.079 0.000 1.062 389 A CA 1.367 53.136 52.037 -0.447 0.000 0.666 389 A CB 0.755 19.384 19.000 -0.619 0.000 1.281 389 A HN 3.321 nan 8.150 nan 0.000 0.421 390 G N 0.246 109.084 108.800 0.062 0.000 2.499 390 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.232 390 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.232 390 G C 0.678 175.607 174.900 0.048 0.000 1.251 390 G CA 1.135 46.356 45.100 0.202 0.000 0.917 390 G HN 1.706 nan 8.290 nan 0.000 0.580 391 R N -0.378 120.092 120.500 -0.049 0.000 2.075 391 R HA 0.039 4.379 4.340 -0.000 0.000 0.232 391 R C 2.060 178.243 176.300 -0.195 0.000 1.126 391 R CA 2.317 58.296 56.100 -0.202 0.000 0.963 391 R CB -0.488 29.573 30.300 -0.400 0.000 0.858 391 R HN 0.658 nan 8.270 nan 0.000 0.435 392 H N -0.114 119.031 119.070 0.126 0.000 2.592 392 H HA 0.154 4.710 4.556 -0.000 0.000 0.291 392 H C -0.054 175.365 175.328 0.151 0.000 1.052 392 H CA -0.144 55.984 56.048 0.134 0.000 1.175 392 H CB -0.524 29.335 29.762 0.162 0.000 1.378 392 H HN 0.102 nan 8.280 nan 0.000 0.576 393 R N 0.766 121.363 120.500 0.162 0.000 2.623 393 R HA -0.006 4.334 4.340 -0.000 0.000 0.271 393 R C 0.061 176.429 176.300 0.113 0.000 1.043 393 R CA -0.147 56.020 56.100 0.112 0.000 1.083 393 R CB 0.330 30.645 30.300 0.026 0.000 0.974 393 R HN 0.314 nan 8.270 nan 0.000 0.436 394 C N 6.496 125.880 119.300 0.140 0.000 2.255 394 C HA -0.050 4.410 4.460 -0.000 0.000 0.401 394 C C 2.216 177.216 174.990 0.018 0.000 1.529 394 C CA 0.094 59.181 59.018 0.115 0.000 1.418 394 C CB -1.428 26.423 27.740 0.185 0.000 2.522 394 C HN 0.760 nan 8.230 nan 0.000 0.616 395 V N 4.675 124.613 119.914 0.039 0.000 2.759 395 V HA 0.123 4.243 4.120 -0.000 0.000 0.256 395 V C 1.969 178.074 176.094 0.018 0.000 1.080 395 V CA 2.094 64.396 62.300 0.004 0.000 1.101 395 V CB -1.110 30.710 31.823 -0.005 0.000 0.698 395 V HN 0.993 nan 8.190 nan 0.000 0.477 396 G N -0.898 107.922 108.800 0.034 0.000 2.985 396 G HA2 0.277 4.237 3.960 -0.000 0.000 0.209 396 G HA3 0.277 4.237 3.960 -0.000 0.000 0.209 396 G C 1.501 176.424 174.900 0.037 0.000 1.165 396 G CA 0.623 45.762 45.100 0.066 0.000 0.776 396 G HN 0.785 nan 8.290 nan 0.000 0.541 397 A N 1.647 124.371 122.820 -0.161 0.000 1.869 397 A HA 0.026 4.345 4.320 -0.000 0.000 0.218 397 A C 2.824 180.244 177.584 -0.273 0.000 1.203 397 A CA 2.580 54.304 52.037 -0.521 0.000 0.638 397 A CB -1.005 17.456 19.000 -0.897 0.000 0.831 397 A HN 0.829 nan 8.150 nan 0.000 0.450 398 A N -1.626 121.113 122.820 -0.135 0.000 1.908 398 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 398 A C 2.099 179.705 177.584 0.037 0.000 1.181 398 A CA 1.765 53.775 52.037 -0.045 0.000 0.627 398 A CB -0.746 18.251 19.000 -0.004 0.000 0.818 398 A HN 0.784 nan 8.150 nan 0.000 0.445 399 F N 1.025 120.955 119.950 -0.033 0.000 2.102 399 F HA -0.088 4.439 4.527 -0.000 0.000 0.298 399 F C 2.530 178.329 175.800 -0.002 0.000 1.105 399 F CA 1.399 59.395 58.000 -0.005 0.000 1.239 399 F CB -0.499 38.490 39.000 -0.018 0.000 0.991 399 F HN 0.248 nan 8.300 nan 0.000 0.474 400 A N 0.639 123.529 122.820 0.117 0.000 1.940 400 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 400 A C 2.310 179.894 177.584 -0.001 0.000 1.176 400 A CA 2.140 54.216 52.037 0.065 0.000 0.631 400 A CB -1.245 17.874 19.000 0.198 0.000 0.814 400 A HN 0.549 nan 8.150 nan 0.000 0.446 401 I N -1.014 119.560 120.570 0.006 0.000 2.286 401 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 401 I C 2.717 178.813 176.117 -0.035 0.000 1.104 401 I CA 1.361 62.673 61.300 0.020 0.000 1.397 401 I CB -0.258 37.754 38.000 0.020 0.000 1.072 401 I HN 0.408 nan 8.210 nan 0.000 0.417 402 M N 0.771 120.316 119.600 -0.091 0.000 2.108 402 M HA -0.292 4.188 4.480 -0.000 0.000 0.261 402 M C 2.280 178.490 176.300 -0.150 0.000 1.066 402 M CA 1.992 57.226 55.300 -0.109 0.000 1.107 402 M CB -0.755 31.765 32.600 -0.132 0.000 1.356 402 M HN 0.303 nan 8.290 nan 0.000 0.406 403 Q N 0.039 119.668 119.800 -0.285 0.000 2.061 403 Q HA -0.185 4.155 4.340 -0.000 0.000 0.204 403 Q C 1.966 177.919 176.000 -0.079 0.000 0.984 403 Q CA 1.996 57.635 55.803 -0.273 0.000 0.846 403 Q CB -0.112 28.387 28.738 -0.399 0.000 0.902 403 Q HN 0.522 nan 8.270 nan 0.000 0.421 404 I N 0.965 121.530 120.570 -0.008 0.000 2.226 404 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 404 I C 2.144 178.383 176.117 0.203 0.000 1.100 404 I CA 1.523 62.902 61.300 0.131 0.000 1.374 404 I CB -0.888 37.180 38.000 0.113 0.000 1.057 404 I HN 0.294 nan 8.210 nan 0.000 0.413 405 K N 0.834 121.298 120.400 0.105 0.000 2.026 405 K HA -0.146 4.174 4.320 -0.000 0.000 0.208 405 K C 2.232 178.921 176.600 0.148 0.000 1.048 405 K CA 1.711 58.074 56.287 0.126 0.000 0.929 405 K CB -0.219 32.328 32.500 0.078 0.000 0.713 405 K HN 0.282 nan 8.250 nan 0.000 0.439 406 A N 1.355 124.225 122.820 0.084 0.000 1.902 406 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 406 A C 2.135 179.744 177.584 0.041 0.000 1.181 406 A CA 1.286 53.365 52.037 0.070 0.000 0.623 406 A CB -0.580 18.431 19.000 0.017 0.000 0.818 406 A HN 0.183 nan 8.150 nan 0.000 0.443 407 I N -1.881 118.697 120.570 0.012 0.000 2.179 407 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 407 I C 2.108 178.134 176.117 -0.152 0.000 1.088 407 I CA 1.510 62.758 61.300 -0.086 0.000 1.357 407 I CB -0.304 37.604 38.000 -0.154 0.000 1.051 407 I HN 0.329 nan 8.210 nan 0.000 0.409 408 F N 0.103 120.075 119.950 0.037 0.000 2.558 408 F HA -0.078 4.449 4.527 -0.000 0.000 0.298 408 F C 2.618 178.444 175.800 0.044 0.000 1.119 408 F CA 0.621 58.644 58.000 0.038 0.000 1.451 408 F CB -0.375 38.625 39.000 0.001 0.000 1.091 408 F HN -0.068 nan 8.300 nan 0.000 0.563 409 S N -0.209 115.590 115.700 0.166 0.000 2.368 409 S HA -0.125 4.345 4.470 -0.000 0.000 0.224 409 S C 2.253 176.808 174.600 -0.076 0.000 1.029 409 S CA 1.159 59.388 58.200 0.049 0.000 0.988 409 S CB -0.370 62.871 63.200 0.068 0.000 0.838 409 S HN 0.126 nan 8.310 nan 0.000 0.462 410 V N 2.171 122.058 119.914 -0.045 0.000 2.239 410 V HA -0.099 4.021 4.120 -0.000 0.000 0.242 410 V C 2.226 178.331 176.094 0.017 0.000 1.038 410 V CA 1.427 63.693 62.300 -0.057 0.000 1.002 410 V CB -0.797 30.989 31.823 -0.060 0.000 0.641 410 V HN 0.386 nan 8.190 nan 0.000 0.449 411 L N -0.354 120.889 121.223 0.032 0.000 1.971 411 L HA -0.242 4.098 4.340 -0.000 0.000 0.215 411 L C 2.443 179.550 176.870 0.395 0.000 1.072 411 L CA 1.805 56.750 54.840 0.175 0.000 0.758 411 L CB -0.715 41.355 42.059 0.019 0.000 0.889 411 L HN 0.303 nan 8.230 nan 0.000 0.433 412 L N -0.848 120.594 121.223 0.365 0.000 2.265 412 L HA -0.157 4.183 4.340 -0.000 0.000 0.215 412 L C 2.668 179.707 176.870 0.283 0.000 1.117 412 L CA 0.950 56.045 54.840 0.425 0.000 0.782 412 L CB -0.476 41.802 42.059 0.365 0.000 0.914 412 L HN 0.264 nan 8.230 nan 0.000 0.441 413 R N -0.628 119.964 120.500 0.153 0.000 2.210 413 R HA -0.017 4.323 4.340 -0.000 0.000 0.203 413 R C 1.836 178.148 176.300 0.020 0.000 1.010 413 R CA 0.418 56.555 56.100 0.061 0.000 1.008 413 R CB 0.241 30.514 30.300 -0.045 0.000 0.923 413 R HN 0.345 nan 8.270 nan 0.000 0.469 414 E N -0.470 119.752 120.200 0.037 0.000 2.127 414 E HA 0.050 4.400 4.350 -0.000 0.000 0.191 414 E C 0.055 176.484 176.600 -0.285 0.000 0.964 414 E CA 0.955 57.290 56.400 -0.108 0.000 0.832 414 E CB 0.211 29.899 29.700 -0.021 0.000 0.790 414 E HN 0.129 nan 8.360 nan 0.000 0.465 415 Y N 0.333 120.667 120.300 0.057 0.000 2.630 415 Y HA 0.375 4.925 4.550 -0.000 0.000 0.337 415 Y C 0.328 176.173 175.900 -0.090 0.000 1.051 415 Y CA -0.920 57.142 58.100 -0.063 0.000 1.121 415 Y CB 1.467 39.801 38.460 -0.209 0.000 1.299 415 Y HN -0.278 nan 8.280 nan 0.000 0.498 416 E N 1.077 121.235 120.200 -0.070 0.000 2.212 416 E HA 0.486 4.836 4.350 -0.000 0.000 0.268 416 E C -1.814 174.643 176.600 -0.238 0.000 0.902 416 E CA -0.694 55.717 56.400 0.018 0.000 0.779 416 E CB 1.886 31.593 29.700 0.012 0.000 1.172 416 E HN 0.317 nan 8.360 nan 0.000 0.409 417 F N 1.008 121.159 119.950 0.334 0.000 2.540 417 F HA 0.383 4.910 4.527 -0.000 0.000 0.317 417 F C 0.311 176.219 175.800 0.180 0.000 1.104 417 F CA -0.764 57.383 58.000 0.245 0.000 0.913 417 F CB 1.712 40.860 39.000 0.247 0.000 1.170 417 F HN 0.255 nan 8.300 nan 0.000 0.450 418 E N 2.236 122.577 120.200 0.234 0.000 2.336 418 E HA 0.535 4.885 4.350 -0.000 0.000 0.267 418 E C -1.110 175.555 176.600 0.108 0.000 0.906 418 E CA -1.144 55.335 56.400 0.131 0.000 0.781 418 E CB 2.730 32.460 29.700 0.050 0.000 1.261 418 E HN 0.501 nan 8.360 nan 0.000 0.436 419 M N 1.282 120.931 119.600 0.083 0.000 2.211 419 M HA 0.231 4.711 4.480 -0.000 0.000 0.356 419 M C 0.507 176.886 176.300 0.131 0.000 1.216 419 M CA 0.049 55.428 55.300 0.132 0.000 1.134 419 M CB 0.974 33.672 32.600 0.164 0.000 1.564 419 M HN 0.730 nan 8.290 nan 0.000 0.463 420 A N 3.207 126.117 122.820 0.149 0.000 2.308 420 A HA 0.120 4.440 4.320 -0.000 0.000 0.217 420 A C 0.335 177.935 177.584 0.027 0.000 1.216 420 A CA 0.158 52.226 52.037 0.052 0.000 0.864 420 A CB 0.090 19.096 19.000 0.010 0.000 0.902 420 A HN 0.852 nan 8.150 nan 0.000 0.499 421 Q N -1.248 118.588 119.800 0.060 0.000 2.553 421 Q HA 0.532 4.872 4.340 -0.000 0.000 0.293 421 Q C -3.135 172.857 176.000 -0.013 0.000 1.038 421 Q CA -2.661 53.105 55.803 -0.061 0.000 0.777 421 Q CB 0.480 29.071 28.738 -0.245 0.000 1.487 421 Q HN -0.083 nan 8.270 nan 0.000 0.426 422 P HA 0.017 nan 4.420 nan 0.000 0.262 422 P C -2.081 175.249 177.300 0.050 0.000 1.182 422 P CA -0.572 62.525 63.100 -0.006 0.000 0.761 422 P CB 0.099 31.778 31.700 -0.035 0.000 0.795 423 P HA -0.223 nan 4.420 nan 0.000 0.217 423 P C 0.738 178.177 177.300 0.231 0.000 1.148 423 P CA 1.552 64.791 63.100 0.232 0.000 0.834 423 P CB 0.013 31.773 31.700 0.100 0.000 0.783 424 E N -1.168 119.099 120.200 0.112 0.000 2.435 424 E HA -0.053 4.297 4.350 -0.000 0.000 0.195 424 E C 1.872 178.498 176.600 0.043 0.000 1.029 424 E CA 0.863 57.318 56.400 0.092 0.000 0.865 424 E CB -0.672 29.061 29.700 0.055 0.000 0.833 424 E HN 0.338 nan 8.360 nan 0.000 0.510 425 S N -0.491 115.169 115.700 -0.068 0.000 2.489 425 S HA -0.062 4.408 4.470 -0.000 0.000 0.228 425 S C 0.333 174.782 174.600 -0.252 0.000 0.995 425 S CA -0.090 57.997 58.200 -0.188 0.000 0.934 425 S CB -0.399 62.621 63.200 -0.300 0.000 0.771 425 S HN 0.154 nan 8.310 nan 0.000 0.522 426 Y N 4.166 124.444 120.300 -0.036 0.000 2.531 426 Y HA 0.467 5.017 4.550 -0.000 0.000 0.347 426 Y C 0.938 176.853 175.900 0.024 0.000 1.024 426 Y CA -0.506 57.525 58.100 -0.115 0.000 1.306 426 Y CB 0.392 38.703 38.460 -0.249 0.000 1.149 426 Y HN 0.345 nan 8.280 nan 0.000 0.527 427 R N 1.131 121.720 120.500 0.148 0.000 2.716 427 R HA 0.472 4.812 4.340 -0.000 0.000 0.271 427 R C -1.586 174.846 176.300 0.220 0.000 1.028 427 R CA -1.124 55.163 56.100 0.312 0.000 0.883 427 R CB 0.978 31.390 30.300 0.187 0.000 1.250 427 R HN 0.322 nan 8.270 nan 0.000 0.465 428 N N 0.682 119.513 118.700 0.218 0.000 2.515 428 N HA 0.101 4.841 4.740 -0.000 0.000 0.279 428 N C -1.211 174.090 175.510 -0.349 0.000 1.164 428 N CA -0.093 52.928 53.050 -0.047 0.000 0.982 428 N CB 0.963 39.372 38.487 -0.131 0.000 1.170 428 N HN 0.535 nan 8.380 nan 0.000 0.474 429 D N 0.011 120.245 120.400 -0.277 0.000 2.317 429 D HA 0.143 4.783 4.640 -0.000 0.000 0.234 429 D C -0.144 175.979 176.300 -0.295 0.000 1.112 429 D CA -0.079 53.791 54.000 -0.217 0.000 0.840 429 D CB 0.225 40.977 40.800 -0.079 0.000 1.078 429 D HN 0.474 nan 8.370 nan 0.000 0.486 430 H N 0.835 119.884 119.070 -0.036 0.000 2.549 430 H HA 0.074 4.629 4.556 -0.000 0.000 0.279 430 H C 1.946 177.198 175.328 -0.126 0.000 1.018 430 H CA 0.375 56.365 56.048 -0.096 0.000 1.175 430 H CB 0.689 30.368 29.762 -0.140 0.000 1.485 430 H HN 0.368 nan 8.280 nan 0.000 0.543 431 S N 0.259 115.955 115.700 -0.007 0.000 2.400 431 S HA -0.105 4.365 4.470 -0.000 0.000 0.232 431 S C 0.966 175.540 174.600 -0.043 0.000 1.025 431 S CA 0.799 58.983 58.200 -0.027 0.000 0.993 431 S CB 0.121 63.304 63.200 -0.028 0.000 0.808 431 S HN 0.095 nan 8.310 nan 0.000 0.478 432 K N 0.084 120.449 120.400 -0.059 0.000 2.238 432 K HA 0.452 4.772 4.320 -0.000 0.000 0.239 432 K C 0.988 177.526 176.600 -0.104 0.000 0.987 432 K CA -0.966 55.266 56.287 -0.091 0.000 0.857 432 K CB 0.523 32.954 32.500 -0.116 0.000 1.154 432 K HN 0.045 nan 8.250 nan 0.000 0.439 433 M N 0.260 119.753 119.600 -0.179 0.000 2.279 433 M HA -0.026 4.454 4.480 -0.000 0.000 0.264 433 M C 0.531 176.767 176.300 -0.107 0.000 1.062 433 M CA 0.888 56.116 55.300 -0.120 0.000 1.099 433 M CB -0.305 32.097 32.600 -0.329 0.000 1.394 433 M HN 0.132 nan 8.290 nan 0.000 0.426 434 V N 1.968 121.767 119.914 -0.192 0.000 2.353 434 V HA 0.108 4.228 4.120 -0.000 0.000 0.264 434 V C 0.276 176.283 176.094 -0.146 0.000 1.049 434 V CA -0.653 61.484 62.300 -0.271 0.000 0.896 434 V CB 0.893 32.515 31.823 -0.335 0.000 1.025 434 V HN -0.086 nan 8.190 nan 0.000 0.475 435 V N 6.726 126.615 119.914 -0.042 0.000 2.585 435 V HA 0.189 4.309 4.120 -0.000 0.000 0.296 435 V C 0.294 176.427 176.094 0.066 0.000 1.035 435 V CA 0.155 62.481 62.300 0.043 0.000 1.084 435 V CB 0.728 32.631 31.823 0.133 0.000 0.953 435 V HN 0.874 nan 8.190 nan 0.000 0.483 436 Q N 2.842 122.664 119.800 0.035 0.000 2.379 436 Q HA 0.431 4.771 4.340 -0.000 0.000 0.278 436 Q C -1.106 174.931 176.000 0.061 0.000 1.068 436 Q CA -1.213 54.638 55.803 0.080 0.000 0.816 436 Q CB 2.942 31.738 28.738 0.096 0.000 1.387 436 Q HN 0.570 nan 8.270 nan 0.000 0.413 437 L N 1.793 123.064 121.223 0.081 0.000 2.525 437 L HA 0.183 4.523 4.340 -0.000 0.000 0.278 437 L C -0.379 176.496 176.870 0.009 0.000 1.218 437 L CA 0.716 55.575 54.840 0.030 0.000 0.878 437 L CB 0.477 42.505 42.059 -0.052 0.000 1.127 437 L HN 0.784 nan 8.230 nan 0.000 0.492 438 A N 5.343 128.154 122.820 -0.014 0.000 2.351 438 A HA 0.481 4.801 4.320 -0.000 0.000 0.257 438 A C -0.227 177.336 177.584 -0.035 0.000 1.087 438 A CA -0.354 51.668 52.037 -0.024 0.000 0.798 438 A CB 0.275 19.253 19.000 -0.035 0.000 1.033 438 A HN 0.799 nan 8.150 nan 0.000 0.488 439 Q N 0.964 120.746 119.800 -0.030 0.000 2.301 439 Q HA 0.512 4.852 4.340 -0.000 0.000 0.267 439 Q C -2.168 173.798 176.000 -0.057 0.000 1.035 439 Q CA -1.705 54.074 55.803 -0.041 0.000 0.856 439 Q CB 1.367 30.090 28.738 -0.025 0.000 1.337 439 Q HN 0.749 nan 8.270 nan 0.000 0.450 440 P HA 0.318 nan 4.420 nan 0.000 0.276 440 P C -1.414 175.819 177.300 -0.111 0.000 1.244 440 P CA -0.437 62.617 63.100 -0.077 0.000 0.801 440 P CB 0.997 32.650 31.700 -0.078 0.000 1.006 441 A N 0.695 123.481 122.820 -0.056 0.000 3.176 441 A HA 0.567 4.887 4.320 -0.000 0.000 0.265 441 A C 0.396 178.051 177.584 0.118 0.000 0.936 441 A CA -0.429 51.617 52.037 0.016 0.000 1.033 441 A CB -0.382 18.652 19.000 0.057 0.000 1.158 441 A HN 0.728 nan 8.150 nan 0.000 0.485 442 A N 0.163 123.009 122.820 0.044 0.000 2.477 442 A HA 0.569 4.889 4.320 -0.000 0.000 0.246 442 A C -0.108 177.552 177.584 0.127 0.000 1.078 442 A CA 0.284 52.348 52.037 0.046 0.000 0.770 442 A CB 0.294 19.283 19.000 -0.018 0.000 1.011 442 A HN 0.946 nan 8.150 nan 0.000 0.494 443 V N 4.010 123.961 119.914 0.062 0.000 2.808 443 V HA 0.385 4.505 4.120 -0.000 0.000 0.308 443 V C 0.022 176.123 176.094 0.012 0.000 1.099 443 V CA -0.708 61.640 62.300 0.079 0.000 0.920 443 V CB 2.050 33.934 31.823 0.103 0.000 1.014 443 V HN 1.021 nan 8.190 nan 0.000 0.425 444 R N 2.762 123.257 120.500 -0.009 0.000 2.404 444 R HA 0.601 4.941 4.340 -0.000 0.000 0.291 444 R C -1.360 174.865 176.300 -0.126 0.000 1.025 444 R CA -0.439 55.566 56.100 -0.159 0.000 0.991 444 R CB 1.610 31.813 30.300 -0.162 0.000 1.053 444 R HN 0.766 nan 8.270 nan 0.000 0.479 445 Y N -0.834 119.286 120.300 -0.299 0.000 2.536 445 Y HA 0.671 5.221 4.550 -0.000 0.000 0.347 445 Y C -0.755 175.030 175.900 -0.193 0.000 1.000 445 Y CA -1.486 56.361 58.100 -0.422 0.000 1.051 445 Y CB 1.457 39.484 38.460 -0.722 0.000 1.259 445 Y HN 0.477 nan 8.280 nan 0.000 0.468 446 R N 2.706 123.272 120.500 0.110 0.000 2.548 446 R HA 0.390 4.730 4.340 -0.000 0.000 0.280 446 R C -1.224 175.190 176.300 0.189 0.000 1.061 446 R CA -0.900 55.285 56.100 0.142 0.000 0.915 446 R CB 1.688 31.976 30.300 -0.019 0.000 1.210 446 R HN 1.028 nan 8.270 nan 0.000 0.442 447 R N 3.772 124.332 120.500 0.099 0.000 2.522 447 R HA 0.075 4.415 4.340 -0.000 0.000 0.284 447 R C -0.205 175.982 176.300 -0.189 0.000 1.032 447 R CA 0.262 56.148 56.100 -0.356 0.000 1.049 447 R CB 0.579 30.682 30.300 -0.329 0.000 0.956 447 R HN 0.603 nan 8.270 nan 0.000 0.422 448 R N 1.447 121.822 120.500 -0.209 0.000 2.896 448 R HA 0.323 4.663 4.340 -0.000 0.000 0.283 448 R C 0.199 176.446 176.300 -0.088 0.000 1.201 448 R CA 0.936 56.975 56.100 -0.101 0.000 1.178 448 R CB 0.303 30.565 30.300 -0.063 0.000 1.152 448 R HN 0.885 nan 8.270 nan 0.000 0.590 449 T N 0.000 114.521 114.554 -0.055 0.000 3.816 449 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 449 T CA 0.000 nan 62.100 nan 0.000 1.349 449 T CB 0.000 nan 68.868 nan 0.000 0.612 449 T HN 0.000 nan 8.240 nan 0.000 0.658