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 3bg6_1_G DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTHWTCAT PRFDREQRPL LVKDDADADD DATA SEQUENCE AEWDRLYTKA ESYFQTGTDQ FKESIRHNLV LNKLTEEYKG QRDFQQIPLA DATA SEQUENCE ATRRSPTFVE WSSANTVFDL QNRPNTDAPE ERFNLFPAVA CERVVRNALN DATA SEQUENCE SEIESLHIHD LISGDRFEIK ADVYVLTAGA VHNTQLLVNS GFGQLGRPNP DATA SEQUENCE ANPPELLPSL GSYITEQSLV FCQTVMSTEL IDSVKSDMTI RGTPGELTYS DATA SEQUENCE VTYTPGASTN KHPDWWNEKV KNHMMQHQED PLPIPFEDPE PQVTTLFQPS DATA SEQUENCE HPWHTQIHRD AFSYGAVQQS IDSRLIVDWR FFGRTEPKEE NKLWFSDKIT DATA SEQUENCE DAYNMPQPTF DFRFPAGRTS KEAEDMMTDM CVMSAKIGGF LPGSLPQFMK DATA SEQUENCE PGLVLHLGGT HRMGFDEKED NCCVNTDSRV FGFKNLFLGG CGNIPTAYGA DATA SEQUENCE NPTLTAMSLA IKSCEYIKQN FTPSPFT 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 43 M HA 0.000 nan 4.480 nan 0.000 0.227 43 M C 0.000 176.304 176.300 0.007 0.000 1.140 43 M CA 0.000 55.342 55.300 0.071 0.000 0.988 43 M CB 0.000 32.493 32.600 -0.178 0.000 1.302 44 D N 1.659 122.069 120.400 0.016 0.000 2.335 44 D HA 0.177 4.817 4.640 0.000 0.000 0.236 44 D C 1.413 177.586 176.300 -0.213 0.000 1.297 44 D CA 0.286 54.199 54.000 -0.146 0.000 0.906 44 D CB 0.773 41.399 40.800 -0.290 0.000 1.164 44 D HN 0.531 nan 8.370 nan 0.000 0.469 45 I N -1.084 119.365 120.570 -0.201 0.000 2.146 45 I HA -0.101 4.070 4.170 0.000 0.000 0.231 45 I C 1.123 177.082 176.117 -0.264 0.000 1.063 45 I CA 0.808 62.014 61.300 -0.156 0.000 1.340 45 I CB -0.493 37.460 38.000 -0.078 0.000 1.100 45 I HN 0.122 nan 8.210 nan 0.000 0.403 46 K N 0.278 120.488 120.400 -0.316 0.000 2.182 46 K HA 0.396 4.716 4.320 0.000 0.000 0.262 46 K C -1.534 174.778 176.600 -0.479 0.000 0.957 46 K CA -0.377 55.748 56.287 -0.270 0.000 0.842 46 K CB 1.180 33.613 32.500 -0.111 0.000 1.099 46 K HN 0.079 nan 8.250 nan 0.000 0.438 47 Y N 1.543 121.832 120.300 -0.019 0.000 2.496 47 Y HA 0.207 4.757 4.550 0.000 0.000 0.331 47 Y C 0.802 176.673 175.900 -0.049 0.000 1.140 47 Y CA -0.516 57.561 58.100 -0.038 0.000 1.166 47 Y CB 1.506 39.943 38.460 -0.039 0.000 1.249 47 Y HN 0.714 nan 8.280 nan 0.000 0.479 48 D N 0.233 120.711 120.400 0.129 0.000 2.137 48 D HA 0.013 4.653 4.640 0.000 0.000 0.202 48 D C -0.346 175.950 176.300 -0.007 0.000 0.970 48 D CA 1.330 55.390 54.000 0.099 0.000 0.837 48 D CB 0.232 41.159 40.800 0.211 0.000 0.981 48 D HN 0.131 nan 8.370 nan 0.000 0.475 49 V N 1.098 121.002 119.914 -0.017 0.000 2.686 49 V HA 0.357 4.477 4.120 0.000 0.000 0.306 49 V C -0.365 175.638 176.094 -0.152 0.000 1.065 49 V CA -1.071 61.126 62.300 -0.171 0.000 0.894 49 V CB 2.505 34.202 31.823 -0.211 0.000 1.004 49 V HN -0.024 nan 8.190 nan 0.000 0.424 50 V N 2.998 122.777 119.914 -0.225 0.000 2.459 50 V HA 0.738 4.858 4.120 0.000 0.000 0.295 50 V C -0.579 175.461 176.094 -0.089 0.000 1.029 50 V CA -0.552 61.676 62.300 -0.121 0.000 0.874 50 V CB 1.541 33.362 31.823 -0.004 0.000 0.985 50 V HN 0.683 nan 8.190 nan 0.000 0.438 51 I N 4.555 125.092 120.570 -0.055 0.000 2.378 51 I HA 0.486 4.656 4.170 0.000 0.000 0.291 51 I C -0.467 175.672 176.117 0.038 0.000 0.992 51 I CA -0.948 60.309 61.300 -0.072 0.000 1.154 51 I CB 2.199 40.139 38.000 -0.101 0.000 1.315 51 I HN 0.432 nan 8.210 nan 0.000 0.448 52 V N 5.515 125.438 119.914 0.015 0.000 2.348 52 V HA 0.773 4.893 4.120 0.000 0.000 0.270 52 V C 0.461 176.564 176.094 0.014 0.000 1.037 52 V CA -0.257 62.076 62.300 0.055 0.000 0.872 52 V CB 0.503 32.334 31.823 0.014 0.000 1.002 52 V HN 1.070 nan 8.190 nan 0.000 0.464 53 G N 3.968 112.791 108.800 0.038 0.000 2.906 53 G HA2 -0.013 3.947 3.960 0.000 0.000 0.686 53 G HA3 -0.013 3.947 3.960 0.000 0.000 0.686 53 G C -0.035 174.878 174.900 0.022 0.000 1.170 53 G CA -0.236 44.877 45.100 0.021 0.000 0.775 53 G HN 1.291 nan 8.290 nan 0.000 0.630 54 S N 1.025 116.740 115.700 0.026 0.000 2.601 54 S HA 0.598 5.068 4.470 0.000 0.000 0.244 54 S C 1.363 175.971 174.600 0.014 0.000 1.001 54 S CA 0.764 58.986 58.200 0.036 0.000 0.984 54 S CB 0.575 63.810 63.200 0.058 0.000 0.842 54 S HN 1.982 nan 8.310 nan 0.000 0.474 55 G N 2.845 111.641 108.800 -0.006 0.000 2.647 55 G HA2 0.334 4.294 3.960 0.000 0.000 0.271 55 G HA3 0.334 4.294 3.960 0.000 0.000 0.271 55 G C -1.073 173.799 174.900 -0.047 0.000 1.300 55 G CA -0.995 44.082 45.100 -0.038 0.000 0.997 55 G HN 0.268 nan 8.290 nan 0.000 0.533 56 P HA -0.054 nan 4.420 nan 0.000 0.221 56 P C 1.737 178.974 177.300 -0.105 0.000 1.150 56 P CA 0.751 63.793 63.100 -0.096 0.000 0.800 56 P CB 0.182 31.837 31.700 -0.074 0.000 0.787 57 I N 0.119 120.661 120.570 -0.047 0.000 2.333 57 I HA -0.028 4.142 4.170 0.000 0.000 0.246 57 I C 2.694 178.859 176.117 0.081 0.000 1.106 57 I CA 1.563 62.868 61.300 0.007 0.000 1.411 57 I CB -2.265 35.766 38.000 0.052 0.000 1.082 57 I HN -0.003 nan 8.210 nan 0.000 0.420 58 G N 0.247 109.073 108.800 0.044 0.000 2.422 58 G HA2 -0.228 3.732 3.960 0.000 0.000 0.218 58 G HA3 -0.228 3.732 3.960 0.000 0.000 0.218 58 G C 1.775 176.664 174.900 -0.017 0.000 1.146 58 G CA 0.943 46.060 45.100 0.029 0.000 0.769 58 G HN 0.397 nan 8.290 nan 0.000 0.547 59 C N 0.595 119.862 119.300 -0.056 0.000 2.432 59 C HA 0.020 4.480 4.460 0.000 0.000 0.280 59 C C 3.192 178.048 174.990 -0.223 0.000 1.353 59 C CA 1.395 60.337 59.018 -0.126 0.000 1.766 59 C CB -0.946 26.767 27.740 -0.045 0.000 1.924 59 C HN 0.450 nan 8.230 nan 0.000 0.509 60 T N 0.020 114.468 114.554 -0.177 0.000 2.708 60 T HA -0.168 4.182 4.350 0.000 0.000 0.266 60 T C 1.475 176.015 174.700 -0.267 0.000 1.037 60 T CA 1.655 63.615 62.100 -0.233 0.000 1.146 60 T CB -0.445 68.308 68.868 -0.191 0.000 0.865 60 T HN 0.556 nan 8.240 nan 0.000 0.435 61 Y N 1.543 121.698 120.300 -0.242 0.000 2.128 61 Y HA -0.104 4.446 4.550 0.000 0.000 0.284 61 Y C 2.781 178.460 175.900 -0.369 0.000 1.154 61 Y CA 1.034 58.971 58.100 -0.272 0.000 1.149 61 Y CB -0.711 37.608 38.460 -0.235 0.000 0.976 61 Y HN 0.200 nan 8.280 nan 0.000 0.505 62 A N 0.179 122.807 122.820 -0.320 0.000 1.877 62 A HA -0.252 4.068 4.320 0.000 0.000 0.216 62 A C 2.289 179.306 177.584 -0.945 0.000 1.186 62 A CA 1.913 53.511 52.037 -0.730 0.000 0.620 62 A CB -0.796 17.516 19.000 -1.146 0.000 0.822 62 A HN 0.451 nan 8.150 nan 0.000 0.443 63 R N -0.411 119.606 120.500 -0.804 0.000 2.083 63 R HA -0.172 4.168 4.340 0.000 0.000 0.237 63 R C 2.015 178.111 176.300 -0.340 0.000 1.137 63 R CA 1.809 57.591 56.100 -0.530 0.000 0.951 63 R CB -0.271 29.730 30.300 -0.498 0.000 0.851 63 R HN 0.571 nan 8.270 nan 0.000 0.434 64 E N 0.390 120.414 120.200 -0.293 0.000 2.072 64 E HA -0.163 4.187 4.350 0.000 0.000 0.191 64 E C 2.146 178.678 176.600 -0.114 0.000 0.985 64 E CA 1.193 57.496 56.400 -0.162 0.000 0.801 64 E CB -0.040 29.559 29.700 -0.169 0.000 0.750 64 E HN 0.426 nan 8.360 nan 0.000 0.452 65 L N 0.235 121.358 121.223 -0.167 0.000 2.127 65 L HA -0.067 4.273 4.340 0.000 0.000 0.203 65 L C 2.550 179.456 176.870 0.060 0.000 1.080 65 L CA 0.322 55.110 54.840 -0.087 0.000 0.768 65 L CB -0.321 41.579 42.059 -0.265 0.000 0.924 65 L HN -0.058 nan 8.230 nan 0.000 0.444 66 V N 0.572 120.433 119.914 -0.089 0.000 2.343 66 V HA -0.215 3.905 4.120 0.000 0.000 0.247 66 V C 2.643 178.761 176.094 0.039 0.000 1.051 66 V CA 2.080 64.372 62.300 -0.013 0.000 1.036 66 V CB -1.293 30.460 31.823 -0.116 0.000 0.654 66 V HN 0.572 nan 8.190 nan 0.000 0.451 67 G N -0.403 108.396 108.800 -0.000 0.000 2.432 67 G HA2 -0.175 3.786 3.960 0.000 0.000 0.219 67 G HA3 -0.175 3.786 3.960 0.000 0.000 0.219 67 G C 1.517 176.447 174.900 0.051 0.000 1.135 67 G CA 0.868 45.985 45.100 0.028 0.000 0.767 67 G HN 0.644 nan 8.290 nan 0.000 0.550 68 A N -0.507 122.367 122.820 0.089 0.000 2.238 68 A HA 0.475 4.795 4.320 0.000 0.000 0.208 68 A C 1.933 179.533 177.584 0.028 0.000 1.177 68 A CA 1.277 53.380 52.037 0.110 0.000 0.804 68 A CB -0.388 18.757 19.000 0.241 0.000 0.823 68 A HN 1.589 nan 8.150 nan 0.000 0.482 69 G N -2.478 106.343 108.800 0.035 0.000 2.159 69 G HA2 -0.247 3.713 3.960 0.000 0.000 0.227 69 G HA3 -0.247 3.713 3.960 0.000 0.000 0.227 69 G C -0.059 174.758 174.900 -0.139 0.000 0.986 69 G CA -0.011 45.058 45.100 -0.053 0.000 0.651 69 G HN 0.380 nan 8.290 nan 0.000 0.523 70 Y N 0.808 121.097 120.300 -0.019 0.000 2.411 70 Y HA 0.387 4.937 4.550 0.000 0.000 0.333 70 Y C 1.157 177.036 175.900 -0.034 0.000 1.186 70 Y CA 0.230 58.312 58.100 -0.029 0.000 1.381 70 Y CB 0.745 39.181 38.460 -0.040 0.000 1.273 70 Y HN 0.097 nan 8.280 nan 0.000 0.546 71 K N 3.326 123.777 120.400 0.085 0.000 2.315 71 K HA 0.341 4.661 4.320 0.000 0.000 0.291 71 K C -1.480 175.219 176.600 0.164 0.000 1.074 71 K CA -0.103 56.221 56.287 0.061 0.000 0.936 71 K CB -0.057 32.437 32.500 -0.010 0.000 1.049 71 K HN 0.486 nan 8.250 nan 0.000 0.471 72 V N 3.372 123.372 119.914 0.143 0.000 2.495 72 V HA 0.561 4.681 4.120 0.000 0.000 0.298 72 V C -0.230 175.776 176.094 -0.146 0.000 1.031 72 V CA -0.968 61.373 62.300 0.068 0.000 0.871 72 V CB 1.443 33.349 31.823 0.137 0.000 0.988 72 V HN 0.876 nan 8.190 nan 0.000 0.432 73 A N 5.706 128.268 122.820 -0.430 0.000 2.337 73 A HA 0.941 5.261 4.320 0.000 0.000 0.329 73 A C -0.599 176.652 177.584 -0.554 0.000 1.146 73 A CA -0.619 50.941 52.037 -0.797 0.000 0.800 73 A CB 1.504 19.643 19.000 -1.436 0.000 1.220 73 A HN 0.911 nan 8.150 nan 0.000 0.472 74 M N 2.289 121.486 119.600 -0.671 0.000 2.327 74 M HA 0.708 5.188 4.480 0.000 0.000 0.298 74 M C -2.192 173.785 176.300 -0.540 0.000 1.065 74 M CA -0.410 54.669 55.300 -0.368 0.000 0.916 74 M CB 1.208 33.795 32.600 -0.023 0.000 1.630 74 M HN 0.602 nan 8.290 nan 0.000 0.442 75 F N 2.380 122.327 119.950 -0.005 0.000 2.495 75 F HA 0.566 5.093 4.527 0.000 0.000 0.327 75 F C -0.090 175.711 175.800 0.001 0.000 1.103 75 F CA -0.464 57.551 58.000 0.026 0.000 0.949 75 F CB 1.466 40.465 39.000 -0.000 0.000 1.142 75 F HN 0.461 nan 8.300 nan 0.000 0.457 76 D N 2.767 123.261 120.400 0.157 0.000 2.879 76 D HA 0.237 4.877 4.640 0.000 0.000 0.236 76 D C 0.522 176.850 176.300 0.047 0.000 1.171 76 D CA -0.350 53.694 54.000 0.072 0.000 0.868 76 D CB 2.571 43.393 40.800 0.038 0.000 1.598 76 D HN 0.643 nan 8.370 nan 0.000 0.497 77 I N 1.836 122.386 120.570 -0.034 0.000 2.493 77 I HA 0.022 4.192 4.170 0.000 0.000 0.254 77 I C 1.142 177.219 176.117 -0.067 0.000 1.160 77 I CA 0.811 62.045 61.300 -0.110 0.000 1.445 77 I CB 0.155 37.977 38.000 -0.296 0.000 1.086 77 I HN 0.331 nan 8.210 nan 0.000 0.433 78 G N -0.016 108.761 108.800 -0.037 0.000 2.537 78 G HA2 0.402 4.362 3.960 0.000 0.000 0.297 78 G HA3 0.402 4.362 3.960 0.000 0.000 0.297 78 G C -0.876 174.040 174.900 0.027 0.000 1.310 78 G CA -0.417 44.685 45.100 0.004 0.000 1.027 78 G HN 0.302 nan 8.290 nan 0.000 0.505 79 E N -1.374 118.847 120.200 0.036 0.000 2.320 79 E HA 0.375 4.725 4.350 0.000 0.000 0.264 79 E C -0.599 176.024 176.600 0.038 0.000 0.923 79 E CA -0.753 55.670 56.400 0.039 0.000 0.796 79 E CB 2.605 32.331 29.700 0.043 0.000 1.262 79 E HN 0.259 nan 8.360 nan 0.000 0.428 80 I N 2.613 123.203 120.570 0.035 0.000 2.436 80 I HA 0.022 4.192 4.170 0.000 0.000 0.289 80 I C 0.080 176.224 176.117 0.044 0.000 1.083 80 I CA 0.390 61.712 61.300 0.037 0.000 1.372 80 I CB 0.183 38.199 38.000 0.027 0.000 1.408 80 I HN 0.550 nan 8.210 nan 0.000 0.516 81 D N 2.962 123.394 120.400 0.053 0.000 2.594 81 D HA 0.054 4.694 4.640 0.000 0.000 0.256 81 D C 0.356 176.701 176.300 0.074 0.000 1.393 81 D CA -0.021 54.015 54.000 0.059 0.000 0.797 81 D CB 0.203 41.038 40.800 0.058 0.000 1.110 81 D HN 0.491 nan 8.370 nan 0.000 0.495 82 S N -1.134 114.615 115.700 0.081 0.000 4.057 82 S HA 0.698 5.168 4.470 0.000 0.000 0.197 82 S C 0.903 175.558 174.600 0.093 0.000 1.154 82 S CA 0.018 58.281 58.200 0.105 0.000 1.556 82 S CB 0.614 63.892 63.200 0.131 0.000 1.405 82 S HN 0.196 nan 8.310 nan 0.000 0.786 83 G N 0.197 109.056 108.800 0.099 0.000 2.671 83 G HA2 0.577 4.537 3.960 0.000 0.000 0.275 83 G HA3 0.577 4.537 3.960 0.000 0.000 0.275 83 G C 0.472 175.410 174.900 0.062 0.000 1.368 83 G CA -0.725 44.426 45.100 0.085 0.000 1.044 83 G HN 0.535 nan 8.290 nan 0.000 0.543 84 L N -0.721 120.533 121.223 0.051 0.000 2.201 84 L HA 0.053 4.393 4.340 0.000 0.000 0.212 84 L C 1.021 177.907 176.870 0.027 0.000 1.105 84 L CA 0.932 55.791 54.840 0.032 0.000 0.775 84 L CB -0.241 41.832 42.059 0.023 0.000 0.913 84 L HN 0.230 nan 8.230 nan 0.000 0.440 85 K N 1.612 122.038 120.400 0.044 0.000 2.250 85 K HA 0.341 4.661 4.320 0.000 0.000 0.280 85 K C -0.338 176.289 176.600 0.044 0.000 1.098 85 K CA -0.249 56.060 56.287 0.037 0.000 0.916 85 K CB 0.958 33.494 32.500 0.060 0.000 1.209 85 K HN 0.081 nan 8.250 nan 0.000 0.461 86 I N 1.761 122.341 120.570 0.017 0.000 2.618 86 I HA -0.046 4.124 4.170 0.000 0.000 0.284 86 I C 1.357 177.495 176.117 0.036 0.000 1.146 86 I CA 0.762 62.077 61.300 0.025 0.000 1.425 86 I CB 0.514 38.519 38.000 0.008 0.000 1.383 86 I HN 0.957 nan 8.210 nan 0.000 0.562 87 G N 4.237 113.069 108.800 0.053 0.000 2.148 87 G HA2 -0.214 3.746 3.960 0.000 0.000 0.254 87 G HA3 -0.214 3.746 3.960 0.000 0.000 0.254 87 G C 0.317 175.267 174.900 0.085 0.000 0.981 87 G CA 0.090 45.224 45.100 0.057 0.000 0.670 87 G HN 0.965 nan 8.290 nan 0.000 0.528 88 A N -0.415 122.472 122.820 0.111 0.000 2.272 88 A HA 0.623 4.943 4.320 0.000 0.000 0.275 88 A C 0.553 178.265 177.584 0.212 0.000 1.096 88 A CA -0.314 51.828 52.037 0.174 0.000 0.822 88 A CB 0.283 19.388 19.000 0.175 0.000 1.088 88 A HN 0.601 nan 8.150 nan 0.000 0.495 89 H N 0.520 119.731 119.070 0.236 0.000 2.975 89 H HA 0.097 4.653 4.556 0.000 0.000 0.303 89 H C 0.747 176.218 175.328 0.239 0.000 1.023 89 H CA 0.705 56.910 56.048 0.262 0.000 1.473 89 H CB 0.781 30.718 29.762 0.292 0.000 1.498 89 H HN 0.672 nan 8.280 nan 0.000 0.549 90 K N 3.440 124.053 120.400 0.356 0.000 2.362 90 K HA -0.090 4.230 4.320 0.000 0.000 0.200 90 K C 1.669 178.553 176.600 0.473 0.000 1.046 90 K CA 0.583 57.134 56.287 0.440 0.000 0.952 90 K CB 0.370 33.128 32.500 0.430 0.000 0.753 90 K HN 0.421 nan 8.250 nan 0.000 0.466 91 K N 0.956 121.528 120.400 0.287 0.000 2.487 91 K HA 0.004 4.324 4.320 0.000 0.000 0.192 91 K C 0.184 176.843 176.600 0.097 0.000 1.027 91 K CA 0.292 56.426 56.287 -0.256 0.000 1.054 91 K CB 0.254 32.171 32.500 -0.972 0.000 0.824 91 K HN 0.021 nan 8.250 nan 0.000 0.510 92 N N 1.971 120.827 118.700 0.261 0.000 2.597 92 N HA -0.016 4.724 4.740 0.000 0.000 0.269 92 N C -0.668 175.109 175.510 0.446 0.000 1.204 92 N CA 0.240 53.469 53.050 0.299 0.000 0.947 92 N CB 0.721 39.422 38.487 0.356 0.000 1.258 92 N HN 0.221 nan 8.380 nan 0.000 0.508 93 T N -4.369 110.424 114.554 0.399 0.000 2.918 93 T HA 0.342 4.692 4.350 0.000 0.000 0.286 93 T C 1.481 176.399 174.700 0.363 0.000 1.026 93 T CA -0.763 61.547 62.100 0.350 0.000 1.031 93 T CB 1.623 70.645 68.868 0.258 0.000 1.046 93 T HN -0.183 nan 8.240 nan 0.000 0.479 94 V N 1.521 121.604 119.914 0.282 0.000 2.392 94 V HA -0.135 3.985 4.120 0.000 0.000 0.249 94 V C 2.864 179.036 176.094 0.131 0.000 1.059 94 V CA 1.818 64.256 62.300 0.230 0.000 1.051 94 V CB -0.797 31.093 31.823 0.111 0.000 0.658 94 V HN 0.889 nan 8.190 nan 0.000 0.455 95 E N -0.522 119.696 120.200 0.030 0.000 2.077 95 E HA -0.205 4.145 4.350 0.000 0.000 0.193 95 E C 2.129 178.678 176.600 -0.084 0.000 0.989 95 E CA 1.596 57.942 56.400 -0.090 0.000 0.800 95 E CB -0.262 29.286 29.700 -0.253 0.000 0.746 95 E HN 0.743 nan 8.360 nan 0.000 0.452 96 Y N 1.001 121.381 120.300 0.133 0.000 2.457 96 Y HA -0.022 4.528 4.550 0.000 0.000 0.292 96 Y C 2.360 178.293 175.900 0.055 0.000 1.125 96 Y CA 0.600 58.766 58.100 0.110 0.000 1.254 96 Y CB -0.039 38.497 38.460 0.125 0.000 1.012 96 Y HN 0.024 nan 8.280 nan 0.000 0.555 97 Q N 0.159 120.066 119.800 0.178 0.000 2.297 97 Q HA -0.090 4.250 4.340 0.000 0.000 0.204 97 Q C 1.496 177.563 176.000 0.111 0.000 0.962 97 Q CA 0.985 56.846 55.803 0.096 0.000 0.879 97 Q CB 0.028 28.800 28.738 0.057 0.000 0.947 97 Q HN 0.509 nan 8.270 nan 0.000 0.462 98 K N 0.143 120.611 120.400 0.114 0.000 2.334 98 K HA 0.105 4.425 4.320 0.000 0.000 0.195 98 K C 0.372 177.024 176.600 0.087 0.000 1.045 98 K CA 0.237 56.575 56.287 0.086 0.000 1.004 98 K CB 0.617 33.154 32.500 0.063 0.000 0.837 98 K HN 0.082 nan 8.250 nan 0.000 0.510 99 N N 1.561 120.333 118.700 0.120 0.000 2.672 99 N HA 0.034 4.774 4.740 0.000 0.000 0.295 99 N C 0.430 176.076 175.510 0.227 0.000 1.924 99 N CA 0.037 53.172 53.050 0.141 0.000 0.851 99 N CB 1.083 39.637 38.487 0.112 0.000 1.281 99 N HN 0.032 nan 8.380 nan 0.000 0.494 100 I N 0.760 121.446 120.570 0.193 0.000 2.264 100 I HA -0.229 3.941 4.170 0.000 0.000 0.248 100 I C 0.896 177.144 176.117 0.219 0.000 1.111 100 I CA 1.811 63.228 61.300 0.195 0.000 1.382 100 I CB 0.059 38.129 38.000 0.117 0.000 1.060 100 I HN 0.094 nan 8.210 nan 0.000 0.418 101 D N 1.186 121.710 120.400 0.207 0.000 2.265 101 D HA -0.166 4.474 4.640 0.000 0.000 0.208 101 D C 1.997 178.404 176.300 0.177 0.000 0.977 101 D CA 0.711 54.835 54.000 0.206 0.000 0.871 101 D CB -0.082 40.873 40.800 0.258 0.000 0.925 101 D HN 0.347 nan 8.370 nan 0.000 0.485 102 K N -0.082 120.458 120.400 0.235 0.000 2.362 102 K HA -0.081 4.239 4.320 0.000 0.000 0.200 102 K C 1.765 178.489 176.600 0.207 0.000 1.046 102 K CA 0.008 56.443 56.287 0.246 0.000 0.952 102 K CB -0.419 32.285 32.500 0.340 0.000 0.753 102 K HN 0.239 nan 8.250 nan 0.000 0.466 103 F N 1.552 121.495 119.950 -0.010 0.000 2.365 103 F HA -0.167 4.360 4.527 0.000 0.000 0.300 103 F C 1.781 177.467 175.800 -0.191 0.000 1.090 103 F CA 0.542 58.366 58.000 -0.292 0.000 1.408 103 F CB -0.038 38.756 39.000 -0.342 0.000 1.060 103 F HN -0.289 nan 8.300 nan 0.000 0.534 104 V N 0.464 120.317 119.914 -0.101 0.000 2.380 104 V HA -0.384 3.737 4.120 0.000 0.000 0.251 104 V C 1.823 177.748 176.094 -0.281 0.000 1.063 104 V CA 2.401 64.581 62.300 -0.200 0.000 1.055 104 V CB -1.158 30.554 31.823 -0.184 0.000 0.657 104 V HN 0.388 nan 8.190 nan 0.000 0.455 105 N N 0.025 118.589 118.700 -0.226 0.000 2.166 105 N HA -0.128 4.612 4.740 0.000 0.000 0.186 105 N C 1.651 176.992 175.510 -0.282 0.000 1.019 105 N CA 1.294 54.226 53.050 -0.196 0.000 0.856 105 N CB -0.280 38.157 38.487 -0.085 0.000 0.993 105 N HN 0.352 nan 8.380 nan 0.000 0.426 106 V N 1.145 120.768 119.914 -0.485 0.000 2.307 106 V HA -0.172 3.948 4.120 0.000 0.000 0.245 106 V C 2.037 177.811 176.094 -0.533 0.000 1.045 106 V CA 1.333 63.302 62.300 -0.553 0.000 1.024 106 V CB -0.480 30.766 31.823 -0.962 0.000 0.651 106 V HN 0.289 nan 8.190 nan 0.000 0.449 107 I N -0.317 119.849 120.570 -0.674 0.000 2.127 107 I HA -0.273 3.897 4.170 0.000 0.000 0.241 107 I C 2.750 178.618 176.117 -0.416 0.000 1.075 107 I CA 1.419 62.358 61.300 -0.601 0.000 1.334 107 I CB -0.480 37.212 38.000 -0.514 0.000 1.040 107 I HN 0.294 nan 8.210 nan 0.000 0.405 108 Q N 0.533 120.145 119.800 -0.314 0.000 2.170 108 Q HA -0.135 4.205 4.340 0.000 0.000 0.203 108 Q C 2.310 178.211 176.000 -0.164 0.000 0.976 108 Q CA 1.726 57.400 55.803 -0.215 0.000 0.858 108 Q CB -0.800 27.826 28.738 -0.185 0.000 0.907 108 Q HN 0.629 nan 8.270 nan 0.000 0.433 109 G N 1.135 109.835 108.800 -0.166 0.000 2.509 109 G HA2 -0.209 3.751 3.960 0.000 0.000 0.218 109 G HA3 -0.209 3.751 3.960 0.000 0.000 0.218 109 G C 1.008 175.862 174.900 -0.077 0.000 1.124 109 G CA 0.677 45.714 45.100 -0.104 0.000 0.776 109 G HN 0.506 nan 8.290 nan 0.000 0.547 110 Q N -0.554 119.185 119.800 -0.102 0.000 2.141 110 Q HA 0.464 4.804 4.340 0.000 0.000 0.248 110 Q C -0.476 175.508 176.000 -0.027 0.000 0.834 110 Q CA -0.293 55.487 55.803 -0.038 0.000 1.096 110 Q CB 0.139 28.879 28.738 0.003 0.000 1.189 110 Q HN 0.244 nan 8.270 nan 0.000 0.471 111 L N 2.054 123.241 121.223 -0.061 0.000 2.319 111 L HA 0.550 4.890 4.340 0.000 0.000 0.281 111 L C -0.746 176.124 176.870 -0.001 0.000 1.005 111 L CA -0.755 54.069 54.840 -0.027 0.000 0.828 111 L CB 1.632 43.647 42.059 -0.073 0.000 1.227 111 L HN 0.238 nan 8.230 nan 0.000 0.415 112 M N 1.943 121.568 119.600 0.042 0.000 2.227 112 M HA 0.365 4.845 4.480 0.000 0.000 0.335 112 M C -0.008 176.327 176.300 0.059 0.000 1.053 112 M CA -0.495 54.836 55.300 0.051 0.000 0.973 112 M CB 1.374 34.026 32.600 0.087 0.000 1.623 112 M HN 0.343 nan 8.290 nan 0.000 0.434 113 S N 1.675 117.397 115.700 0.037 0.000 2.560 113 S HA 0.202 4.672 4.470 0.000 0.000 0.284 113 S C 1.613 176.249 174.600 0.061 0.000 1.327 113 S CA -0.600 57.623 58.200 0.038 0.000 1.055 113 S CB 1.050 64.258 63.200 0.014 0.000 0.868 113 S HN 0.536 nan 8.310 nan 0.000 0.506 114 V N 2.159 122.124 119.914 0.085 0.000 2.323 114 V HA 0.022 4.142 4.120 0.000 0.000 0.244 114 V C 1.150 177.253 176.094 0.016 0.000 1.041 114 V CA 1.365 63.711 62.300 0.077 0.000 1.025 114 V CB 0.078 31.993 31.823 0.154 0.000 0.656 114 V HN 0.791 nan 8.190 nan 0.000 0.451 115 S N -0.465 115.264 115.700 0.048 0.000 2.750 115 S HA 0.516 4.986 4.470 0.000 0.000 0.276 115 S C -1.154 173.449 174.600 0.005 0.000 1.165 115 S CA -0.451 57.739 58.200 -0.017 0.000 1.047 115 S CB 1.412 64.567 63.200 -0.074 0.000 1.056 115 S HN 0.004 nan 8.310 nan 0.000 0.481 116 V N 7.833 127.735 119.914 -0.020 0.000 2.384 116 V HA 0.563 4.683 4.120 0.000 0.000 0.287 116 V C -1.934 174.140 176.094 -0.033 0.000 1.020 116 V CA -1.794 60.493 62.300 -0.022 0.000 0.850 116 V CB 1.516 33.325 31.823 -0.023 0.000 0.987 116 V HN 0.702 nan 8.190 nan 0.000 0.436 117 P HA 0.163 nan 4.420 nan 0.000 0.274 117 P C -0.145 177.128 177.300 -0.045 0.000 1.246 117 P CA -0.128 62.950 63.100 -0.037 0.000 0.795 117 P CB 0.940 32.619 31.700 -0.034 0.000 1.006 118 V N 2.327 122.218 119.914 -0.039 0.000 2.673 118 V HA -0.035 4.085 4.120 0.000 0.000 0.303 118 V C 1.255 177.296 176.094 -0.088 0.000 1.046 118 V CA 0.254 62.527 62.300 -0.046 0.000 1.126 118 V CB -0.601 31.217 31.823 -0.008 0.000 0.934 118 V HN 0.629 nan 8.190 nan 0.000 0.487 119 N N 3.421 122.058 118.700 -0.104 0.000 2.472 119 N HA 0.136 4.876 4.740 0.000 0.000 0.277 119 N C 0.569 175.905 175.510 -0.290 0.000 1.081 119 N CA 0.310 53.270 53.050 -0.149 0.000 0.973 119 N CB 1.697 40.123 38.487 -0.101 0.000 1.105 119 N HN 0.845 nan 8.380 nan 0.000 0.470 120 T N 0.670 114.940 114.554 -0.473 0.000 3.200 120 T HA 0.273 4.623 4.350 0.000 0.000 0.284 120 T C 0.804 175.054 174.700 -0.751 0.000 1.009 120 T CA -0.412 61.015 62.100 -1.123 0.000 0.907 120 T CB -0.408 67.930 68.868 -0.883 0.000 1.120 120 T HN 0.286 nan 8.240 nan 0.000 0.534 121 L N 2.223 123.265 121.223 -0.303 0.000 2.455 121 L HA 0.339 4.679 4.340 0.000 0.000 0.272 121 L C 0.051 176.965 176.870 0.074 0.000 1.174 121 L CA -0.679 54.104 54.840 -0.095 0.000 0.869 121 L CB 0.904 42.935 42.059 -0.047 0.000 1.130 121 L HN 0.080 nan 8.230 nan 0.000 0.474 122 V N 5.048 125.025 119.914 0.105 0.000 2.408 122 V HA 0.126 4.246 4.120 0.000 0.000 0.267 122 V C 0.248 176.406 176.094 0.106 0.000 1.047 122 V CA -0.422 61.988 62.300 0.182 0.000 0.937 122 V CB 1.456 33.370 31.823 0.151 0.000 0.999 122 V HN 0.407 nan 8.190 nan 0.000 0.472 123 V N 5.586 125.564 119.914 0.107 0.000 2.294 123 V HA 0.300 4.420 4.120 0.000 0.000 0.272 123 V C 0.267 176.391 176.094 0.051 0.000 1.027 123 V CA -0.442 61.899 62.300 0.068 0.000 0.823 123 V CB 1.190 33.055 31.823 0.070 0.000 1.030 123 V HN 1.065 nan 8.190 nan 0.000 0.457 124 D N 2.044 122.466 120.400 0.038 0.000 2.501 124 D HA 0.015 4.655 4.640 0.000 0.000 0.226 124 D C 1.144 177.454 176.300 0.016 0.000 1.198 124 D CA 0.156 54.170 54.000 0.022 0.000 0.830 124 D CB 0.400 41.211 40.800 0.020 0.000 1.014 124 D HN 0.545 nan 8.370 nan 0.000 0.496 125 T N -2.120 112.446 114.554 0.021 0.000 3.228 125 T HA 0.312 4.662 4.350 0.000 0.000 0.278 125 T C 0.709 175.422 174.700 0.021 0.000 1.014 125 T CA -0.555 61.556 62.100 0.018 0.000 0.904 125 T CB -0.269 68.610 68.868 0.017 0.000 1.110 125 T HN 0.028 nan 8.240 nan 0.000 0.541 126 L N 1.987 123.224 121.223 0.024 0.000 2.483 126 L HA 0.300 4.640 4.340 0.000 0.000 0.275 126 L C 1.164 178.045 176.870 0.019 0.000 1.220 126 L CA -0.507 54.350 54.840 0.028 0.000 0.833 126 L CB 0.315 42.395 42.059 0.035 0.000 1.102 126 L HN 0.248 nan 8.230 nan 0.000 0.490 127 S N 1.576 117.290 115.700 0.024 0.000 2.568 127 S HA 0.119 4.589 4.470 0.000 0.000 0.282 127 S C -1.473 173.134 174.600 0.011 0.000 1.338 127 S CA -1.026 57.184 58.200 0.017 0.000 1.045 127 S CB 0.890 64.104 63.200 0.023 0.000 0.873 127 S HN 0.394 nan 8.310 nan 0.000 0.516 128 P HA -0.075 nan 4.420 nan 0.000 0.221 128 P C 1.365 178.663 177.300 -0.003 0.000 1.145 128 P CA 1.348 64.443 63.100 -0.008 0.000 0.795 128 P CB -0.135 31.560 31.700 -0.009 0.000 0.775 129 T N -5.519 109.043 114.554 0.012 0.000 3.055 129 T HA 0.078 4.428 4.350 0.000 0.000 0.265 129 T C 1.038 175.767 174.700 0.048 0.000 1.111 129 T CA 0.170 62.285 62.100 0.025 0.000 1.118 129 T CB -0.584 68.300 68.868 0.027 0.000 0.909 129 T HN -0.103 nan 8.240 nan 0.000 0.501 130 S N 1.169 116.902 115.700 0.055 0.000 2.580 130 S HA 0.320 4.790 4.470 0.000 0.000 0.274 130 S C -0.610 174.067 174.600 0.127 0.000 1.329 130 S CA -0.995 57.267 58.200 0.103 0.000 1.036 130 S CB 0.223 63.481 63.200 0.097 0.000 0.919 130 S HN 0.607 nan 8.310 nan 0.000 0.515 131 W N 2.906 124.214 121.300 0.014 0.000 2.251 131 W HA 0.259 4.919 4.660 0.000 0.000 0.327 131 W C 0.152 176.687 176.519 0.026 0.000 1.361 131 W CA 0.155 57.508 57.345 0.013 0.000 1.234 131 W CB 0.202 29.670 29.460 0.013 0.000 1.212 131 W HN 0.537 nan 8.180 nan 0.000 0.557 132 Q N 5.103 124.539 119.800 -0.607 0.000 2.323 132 Q HA 0.601 4.941 4.340 0.000 0.000 0.271 132 Q C -0.764 174.751 176.000 -0.807 0.000 1.048 132 Q CA -0.876 54.676 55.803 -0.418 0.000 0.792 132 Q CB 1.786 30.375 28.738 -0.248 0.000 1.280 132 Q HN 0.615 nan 8.270 nan 0.000 0.441 133 A N 2.288 124.877 122.820 -0.384 0.000 2.425 133 A HA 0.277 4.597 4.320 0.000 0.000 0.249 133 A C 0.461 177.883 177.584 -0.271 0.000 1.084 133 A CA -0.050 51.839 52.037 -0.247 0.000 0.781 133 A CB 0.739 19.872 19.000 0.223 0.000 1.019 133 A HN 0.879 nan 8.150 nan 0.000 0.490 134 S N -0.387 115.172 115.700 -0.235 0.000 2.503 134 S HA 0.110 4.580 4.470 0.000 0.000 0.217 134 S C 0.892 175.385 174.600 -0.180 0.000 0.999 134 S CA 0.901 58.984 58.200 -0.195 0.000 0.914 134 S CB -0.089 63.014 63.200 -0.163 0.000 0.782 134 S HN 1.121 nan 8.310 nan 0.000 0.520 135 T N -1.406 113.078 114.554 -0.117 0.000 2.865 135 T HA 0.633 4.983 4.350 0.000 0.000 0.294 135 T C -1.041 173.610 174.700 -0.081 0.000 1.119 135 T CA -0.732 61.297 62.100 -0.118 0.000 1.007 135 T CB 0.762 69.658 68.868 0.048 0.000 1.225 135 T HN -0.099 nan 8.240 nan 0.000 0.515 136 F N 3.118 123.155 119.950 0.145 0.000 2.541 136 F HA 0.401 4.928 4.527 0.000 0.000 0.351 136 F C 0.384 176.240 175.800 0.094 0.000 1.209 136 F CA -1.922 56.123 58.000 0.074 0.000 1.277 136 F CB -0.892 38.120 39.000 0.020 0.000 1.632 136 F HN 0.564 nan 8.300 nan 0.000 0.619 137 F N -0.605 119.449 119.950 0.173 0.000 2.399 137 F HA 0.577 5.104 4.527 0.000 0.000 0.313 137 F C -0.039 175.833 175.800 0.119 0.000 1.202 137 F CA -1.654 56.424 58.000 0.129 0.000 1.192 137 F CB -0.187 38.881 39.000 0.113 0.000 1.256 137 F HN -0.155 nan 8.300 nan 0.000 0.558 138 V N 2.783 122.828 119.914 0.217 0.000 2.446 138 V HA 0.259 4.379 4.120 0.000 0.000 0.276 138 V C 0.149 176.251 176.094 0.013 0.000 1.030 138 V CA 0.023 62.369 62.300 0.077 0.000 1.033 138 V CB -0.586 31.303 31.823 0.111 0.000 0.993 138 V HN 0.724 nan 8.190 nan 0.000 0.477 139 R N 3.805 124.219 120.500 -0.142 0.000 2.744 139 R HA 0.467 4.807 4.340 0.000 0.000 0.279 139 R C 0.123 176.375 176.300 -0.080 0.000 0.977 139 R CA -0.914 55.077 56.100 -0.182 0.000 0.906 139 R CB 1.335 31.404 30.300 -0.384 0.000 1.197 139 R HN 0.713 nan 8.270 nan 0.000 0.463 140 N N 0.883 119.558 118.700 -0.042 0.000 2.721 140 N HA -0.204 4.536 4.740 0.000 0.000 0.249 140 N C 0.478 175.974 175.510 -0.025 0.000 1.072 140 N CA 1.545 54.576 53.050 -0.032 0.000 0.710 140 N CB -1.139 37.323 38.487 -0.042 0.000 0.993 140 N HN 1.084 nan 8.380 nan 0.000 0.547 141 G N -1.789 107.002 108.800 -0.015 0.000 2.162 141 G HA2 -0.336 3.624 3.960 0.000 0.000 0.260 141 G HA3 -0.336 3.624 3.960 0.000 0.000 0.260 141 G C 0.297 175.188 174.900 -0.014 0.000 0.976 141 G CA 0.917 46.011 45.100 -0.010 0.000 0.655 141 G HN 1.337 nan 8.290 nan 0.000 0.533 142 S N -0.506 115.180 115.700 -0.023 0.000 2.584 142 S HA 0.447 4.917 4.470 0.000 0.000 0.270 142 S C 0.138 174.725 174.600 -0.022 0.000 1.346 142 S CA 0.168 58.351 58.200 -0.028 0.000 1.018 142 S CB 1.696 64.871 63.200 -0.041 0.000 0.899 142 S HN 0.689 nan 8.310 nan 0.000 0.542 143 N N 2.096 120.776 118.700 -0.034 0.000 2.546 143 N HA 0.369 5.109 4.740 0.000 0.000 0.238 143 N C -1.685 173.805 175.510 -0.033 0.000 0.984 143 N CA -2.542 50.481 53.050 -0.046 0.000 0.935 143 N CB 1.251 39.681 38.487 -0.095 0.000 1.122 143 N HN 0.370 nan 8.380 nan 0.000 0.510 144 P HA -0.046 nan 4.420 nan 0.000 0.230 144 P C 0.321 177.639 177.300 0.030 0.000 1.158 144 P CA 0.788 63.902 63.100 0.023 0.000 0.769 144 P CB 0.579 32.308 31.700 0.049 0.000 0.807 145 E N -0.168 120.035 120.200 0.006 0.000 2.274 145 E HA -0.094 4.256 4.350 0.000 0.000 0.194 145 E C 0.930 177.524 176.600 -0.011 0.000 0.996 145 E CA 0.609 57.027 56.400 0.031 0.000 0.840 145 E CB -0.139 29.519 29.700 -0.071 0.000 0.772 145 E HN 0.311 nan 8.360 nan 0.000 0.491 146 Q N 2.124 121.883 119.800 -0.068 0.000 2.295 146 Q HA 0.032 4.372 4.340 0.000 0.000 0.259 146 Q C -0.825 175.175 176.000 0.000 0.000 0.976 146 Q CA -0.198 55.564 55.803 -0.068 0.000 0.923 146 Q CB 0.841 29.529 28.738 -0.084 0.000 1.185 146 Q HN -0.205 nan 8.270 nan 0.000 0.410 147 D N 5.993 126.413 120.400 0.033 0.000 2.358 147 D HA 0.069 4.709 4.640 0.000 0.000 0.258 147 D C -1.693 174.621 176.300 0.022 0.000 1.223 147 D CA -1.890 52.133 54.000 0.039 0.000 0.886 147 D CB 1.262 42.099 40.800 0.062 0.000 1.120 147 D HN 0.432 nan 8.370 nan 0.000 0.482 148 P HA -0.097 nan 4.420 nan 0.000 0.222 148 P C 1.271 178.572 177.300 0.002 0.000 1.147 148 P CA 0.760 63.856 63.100 -0.006 0.000 0.790 148 P CB 0.319 32.005 31.700 -0.024 0.000 0.780 149 L N -1.405 119.824 121.223 0.010 0.000 2.607 149 L HA 0.173 4.513 4.340 0.000 0.000 0.228 149 L C 1.508 178.393 176.870 0.025 0.000 1.123 149 L CA 0.256 55.104 54.840 0.013 0.000 0.890 149 L CB -0.147 41.916 42.059 0.007 0.000 1.103 149 L HN -0.164 nan 8.230 nan 0.000 0.468 150 R N -0.166 120.358 120.500 0.040 0.000 2.776 150 R HA 0.212 4.552 4.340 0.000 0.000 0.391 150 R C -0.397 175.960 176.300 0.094 0.000 1.116 150 R CA -0.264 55.872 56.100 0.061 0.000 1.056 150 R CB 0.297 30.635 30.300 0.064 0.000 1.369 150 R HN 0.050 nan 8.270 nan 0.000 0.590 151 N N 0.482 119.216 118.700 0.057 0.000 2.483 151 N HA 0.382 5.122 4.740 0.000 0.000 0.285 151 N C -0.779 174.646 175.510 -0.143 0.000 1.210 151 N CA -0.661 52.403 53.050 0.023 0.000 0.931 151 N CB 1.210 39.707 38.487 0.017 0.000 1.220 151 N HN 0.070 nan 8.380 nan 0.000 0.542 152 L N 1.993 122.966 121.223 -0.415 0.000 2.417 152 L HA 0.216 4.556 4.340 0.000 0.000 0.258 152 L C 1.434 178.106 176.870 -0.329 0.000 1.088 152 L CA -0.280 54.183 54.840 -0.629 0.000 0.975 152 L CB 0.496 41.763 42.059 -1.320 0.000 1.341 152 L HN 0.660 nan 8.230 nan 0.000 0.431 153 S N 0.021 115.627 115.700 -0.157 0.000 2.399 153 S HA -0.135 4.335 4.470 0.000 0.000 0.231 153 S C 1.823 176.380 174.600 -0.072 0.000 1.022 153 S CA 1.126 59.282 58.200 -0.074 0.000 0.983 153 S CB -0.235 62.938 63.200 -0.046 0.000 0.803 153 S HN 0.642 nan 8.310 nan 0.000 0.480 154 G N 0.548 109.288 108.800 -0.099 0.000 2.650 154 G HA2 0.059 4.020 3.960 0.000 0.000 0.214 154 G HA3 0.059 4.020 3.960 0.000 0.000 0.214 154 G C 0.639 175.493 174.900 -0.077 0.000 1.136 154 G CA -0.179 44.873 45.100 -0.080 0.000 0.789 154 G HN 0.398 nan 8.290 nan 0.000 0.536 155 Q N 0.546 120.277 119.800 -0.116 0.000 2.337 155 Q HA 0.525 4.865 4.340 0.000 0.000 0.270 155 Q C -0.180 175.838 176.000 0.029 0.000 1.002 155 Q CA 0.216 55.978 55.803 -0.068 0.000 0.888 155 Q CB 1.438 30.091 28.738 -0.142 0.000 1.222 155 Q HN 0.269 nan 8.270 nan 0.000 0.400 156 A N 2.026 124.877 122.820 0.051 0.000 2.587 156 A HA 0.740 5.060 4.320 0.000 0.000 0.293 156 A C -0.985 176.661 177.584 0.104 0.000 1.087 156 A CA -0.572 51.507 52.037 0.069 0.000 0.692 156 A CB 1.365 20.386 19.000 0.036 0.000 1.291 156 A HN 0.472 nan 8.150 nan 0.000 0.407 157 V N -1.983 118.006 119.914 0.127 0.000 3.001 157 V HA 0.958 5.078 4.120 0.000 0.000 0.314 157 V C -0.433 175.749 176.094 0.147 0.000 1.099 157 V CA -0.536 61.864 62.300 0.166 0.000 0.989 157 V CB 1.635 33.619 31.823 0.269 0.000 1.040 157 V HN 0.891 nan 8.190 nan 0.000 0.434 158 T N 2.597 117.239 114.554 0.146 0.000 2.841 158 T HA 0.600 4.950 4.350 0.000 0.000 0.285 158 T C -0.402 174.344 174.700 0.078 0.000 0.991 158 T CA -0.490 61.683 62.100 0.122 0.000 0.966 158 T CB 1.244 70.211 68.868 0.166 0.000 0.962 158 T HN 0.773 nan 8.240 nan 0.000 0.438 159 R N 2.511 123.043 120.500 0.053 0.000 2.402 159 R HA 0.594 4.934 4.340 0.000 0.000 0.290 159 R C -0.807 175.507 176.300 0.022 0.000 1.321 159 R CA -0.574 55.528 56.100 0.004 0.000 1.283 159 R CB 0.907 31.182 30.300 -0.041 0.000 1.111 159 R HN 0.524 nan 8.270 nan 0.000 0.578 160 V N -1.915 118.015 119.914 0.025 0.000 3.120 160 V HA 0.461 4.581 4.120 0.000 0.000 0.303 160 V C -0.038 176.071 176.094 0.026 0.000 1.238 160 V CA -1.140 61.180 62.300 0.034 0.000 1.008 160 V CB 1.984 33.836 31.823 0.048 0.000 1.064 160 V HN 0.103 nan 8.190 nan 0.000 0.434 161 V N 3.234 123.166 119.914 0.031 0.000 2.540 161 V HA 0.497 4.617 4.120 0.000 0.000 0.297 161 V C 1.737 177.848 176.094 0.029 0.000 1.024 161 V CA 1.947 64.266 62.300 0.031 0.000 1.105 161 V CB 0.065 31.910 31.823 0.036 0.000 0.938 161 V HN 2.087 nan 8.190 nan 0.000 0.482 162 G N 3.275 112.087 108.800 0.020 0.000 2.217 162 G HA2 -0.014 3.946 3.960 0.000 0.000 0.246 162 G HA3 -0.014 3.946 3.960 0.000 0.000 0.246 162 G C 1.029 175.903 174.900 -0.043 0.000 0.990 162 G CA 0.299 45.399 45.100 -0.001 0.000 0.627 162 G HN 2.173 nan 8.290 nan 0.000 0.522 163 G N 0.023 108.808 108.800 -0.026 0.000 2.574 163 G HA2 -0.244 3.716 3.960 0.000 0.000 0.282 163 G HA3 -0.244 3.716 3.960 0.000 0.000 0.282 163 G C 1.115 175.957 174.900 -0.097 0.000 1.257 163 G CA 1.113 46.189 45.100 -0.039 0.000 0.956 163 G HN 1.101 nan 8.290 nan 0.000 0.560 164 M N 1.507 121.013 119.600 -0.157 0.000 2.557 164 M HA -0.001 4.479 4.480 0.000 0.000 0.259 164 M C 2.663 178.617 176.300 -0.575 0.000 1.086 164 M CA 1.705 56.777 55.300 -0.380 0.000 1.096 164 M CB -0.213 32.260 32.600 -0.212 0.000 1.424 164 M HN 0.717 nan 8.290 nan 0.000 0.488 165 S N -0.652 114.766 115.700 -0.471 0.000 2.555 165 S HA -0.062 4.408 4.470 0.000 0.000 0.230 165 S C 1.711 176.183 174.600 -0.213 0.000 0.978 165 S CA 1.100 58.916 58.200 -0.640 0.000 0.934 165 S CB -0.959 61.882 63.200 -0.598 0.000 0.766 165 S HN 0.574 nan 8.310 nan 0.000 0.533 166 T N -0.471 113.960 114.554 -0.205 0.000 3.085 166 T HA -0.026 4.324 4.350 0.000 0.000 0.263 166 T C 1.420 175.943 174.700 -0.296 0.000 1.127 166 T CA 0.989 62.990 62.100 -0.165 0.000 1.103 166 T CB -0.703 68.156 68.868 -0.014 0.000 0.921 166 T HN 0.905 nan 8.240 nan 0.000 0.510 167 H N -1.898 117.104 119.070 -0.113 0.000 3.398 167 H HA 0.201 4.758 4.556 0.000 0.000 0.260 167 H C 0.560 176.104 175.328 0.360 0.000 1.189 167 H CA -1.008 55.109 56.048 0.116 0.000 1.145 167 H CB -0.423 29.391 29.762 0.088 0.000 1.599 167 H HN 0.491 nan 8.280 nan 0.000 0.615 168 W N 2.564 123.809 121.300 -0.092 0.000 2.034 168 W HA 0.287 4.947 4.660 0.000 0.000 0.357 168 W C -0.070 176.555 176.519 0.175 0.000 1.326 168 W CA -0.146 57.252 57.345 0.090 0.000 1.318 168 W CB -0.206 29.238 29.460 -0.026 0.000 1.193 168 W HN -0.179 nan 8.180 nan 0.000 0.620 169 T N 0.913 115.458 114.554 -0.015 0.000 3.100 169 T HA 0.023 4.373 4.350 0.000 0.000 0.253 169 T C 0.996 175.299 174.700 -0.661 0.000 1.118 169 T CA 0.918 62.832 62.100 -0.309 0.000 1.058 169 T CB -0.564 68.286 68.868 -0.029 0.000 0.953 169 T HN 0.654 nan 8.240 nan 0.000 0.515 170 C N 1.229 119.757 119.300 -1.287 0.000 4.392 170 C HA -0.127 4.333 4.460 0.000 0.000 0.280 170 C C 1.163 175.669 174.990 -0.807 0.000 1.381 170 C CA -0.642 57.346 59.018 -1.716 0.000 1.871 170 C CB -2.760 24.450 27.740 -0.883 0.000 1.323 170 C HN 0.757 nan 8.230 nan 0.000 0.772 171 A N 1.010 123.564 122.820 -0.443 0.000 2.409 171 A HA 0.569 4.889 4.320 0.000 0.000 0.267 171 A C 0.787 178.288 177.584 -0.138 0.000 1.127 171 A CA 1.074 53.001 52.037 -0.184 0.000 0.795 171 A CB 0.220 19.186 19.000 -0.057 0.000 1.061 171 A HN 1.405 nan 8.150 nan 0.000 0.502 172 T N 1.333 115.826 114.554 -0.102 0.000 3.542 172 T HA 0.504 4.854 4.350 0.000 0.000 0.276 172 T C -2.753 171.907 174.700 -0.067 0.000 1.412 172 T CA -1.353 60.719 62.100 -0.046 0.000 1.664 172 T CB 0.558 69.426 68.868 0.000 0.000 0.863 172 T HN 0.453 nan 8.240 nan 0.000 0.661 173 P HA 0.410 nan 4.420 nan 0.000 0.279 173 P C -0.207 176.964 177.300 -0.216 0.000 1.252 173 P CA -0.653 62.360 63.100 -0.145 0.000 0.811 173 P CB 1.183 32.777 31.700 -0.177 0.000 1.035 174 R N 0.783 121.075 120.500 -0.347 0.000 2.615 174 R HA 0.391 4.731 4.340 0.000 0.000 0.270 174 R C 0.088 176.280 176.300 -0.180 0.000 1.081 174 R CA -0.400 55.313 56.100 -0.646 0.000 1.154 174 R CB 0.139 29.894 30.300 -0.908 0.000 1.063 174 R HN 0.373 nan 8.270 nan 0.000 0.519 175 F N 1.796 121.532 119.950 -0.357 0.000 2.384 175 F HA 0.055 4.582 4.527 0.000 0.000 0.338 175 F C 0.997 176.621 175.800 -0.294 0.000 1.103 175 F CA -1.519 56.294 58.000 -0.311 0.000 1.157 175 F CB 0.361 39.169 39.000 -0.320 0.000 1.167 175 F HN 0.549 nan 8.300 nan 0.000 0.529 176 D N 2.332 122.668 120.400 -0.106 0.000 2.398 176 D HA 0.128 4.768 4.640 0.000 0.000 0.247 176 D C 0.961 177.181 176.300 -0.134 0.000 1.227 176 D CA -0.413 53.521 54.000 -0.111 0.000 0.980 176 D CB 0.562 41.311 40.800 -0.085 0.000 1.106 176 D HN 0.486 nan 8.370 nan 0.000 0.493 177 R N -0.305 120.138 120.500 -0.095 0.000 2.096 177 R HA -0.122 4.218 4.340 0.000 0.000 0.235 177 R C 1.985 178.230 176.300 -0.091 0.000 1.127 177 R CA 1.193 57.240 56.100 -0.087 0.000 0.968 177 R CB -0.203 30.079 30.300 -0.030 0.000 0.861 177 R HN 0.616 nan 8.270 nan 0.000 0.440 178 E N 0.700 120.843 120.200 -0.094 0.000 2.209 178 E HA -0.210 4.140 4.350 0.000 0.000 0.196 178 E C 1.496 177.990 176.600 -0.177 0.000 0.993 178 E CA 1.136 57.484 56.400 -0.087 0.000 0.819 178 E CB 0.140 29.822 29.700 -0.030 0.000 0.745 178 E HN 0.464 nan 8.360 nan 0.000 0.477 179 Q N -0.501 119.111 119.800 -0.314 0.000 2.282 179 Q HA 0.133 4.473 4.340 0.000 0.000 0.206 179 Q C 0.376 176.286 176.000 -0.150 0.000 0.878 179 Q CA -0.124 55.433 55.803 -0.411 0.000 0.944 179 Q CB 0.753 28.941 28.738 -0.917 0.000 1.100 179 Q HN -0.080 nan 8.270 nan 0.000 0.509 180 R N 2.248 122.693 120.500 -0.090 0.000 2.393 180 R HA 0.309 4.649 4.340 0.000 0.000 0.310 180 R C -2.523 173.743 176.300 -0.058 0.000 0.968 180 R CA -2.102 53.926 56.100 -0.119 0.000 0.867 180 R CB 1.063 31.113 30.300 -0.418 0.000 1.124 180 R HN -0.099 nan 8.270 nan 0.000 0.450 181 P HA 0.018 nan 4.420 nan 0.000 0.272 181 P C -0.530 176.924 177.300 0.257 0.000 1.223 181 P CA -0.079 63.101 63.100 0.133 0.000 0.784 181 P CB 0.733 32.528 31.700 0.159 0.000 0.923 182 L N 2.470 123.817 121.223 0.207 0.000 2.416 182 L HA 0.122 4.462 4.340 0.000 0.000 0.272 182 L C 1.739 178.756 176.870 0.244 0.000 1.161 182 L CA -0.122 54.902 54.840 0.307 0.000 0.845 182 L CB 0.144 42.424 42.059 0.367 0.000 1.119 182 L HN 0.365 nan 8.230 nan 0.000 0.464 183 L N 3.563 124.976 121.223 0.317 0.000 2.575 183 L HA 0.211 4.551 4.340 0.000 0.000 0.228 183 L C -0.245 176.812 176.870 0.311 0.000 1.075 183 L CA 0.165 55.088 54.840 0.137 0.000 0.867 183 L CB 0.722 42.670 42.059 -0.184 0.000 1.097 183 L HN 0.329 nan 8.230 nan 0.000 0.485 184 V N 1.207 121.319 119.914 0.329 0.000 2.577 184 V HA 0.232 4.352 4.120 0.000 0.000 0.303 184 V C -0.334 175.874 176.094 0.189 0.000 1.042 184 V CA -1.013 61.415 62.300 0.213 0.000 0.872 184 V CB 1.774 33.662 31.823 0.109 0.000 0.998 184 V HN 0.159 nan 8.190 nan 0.000 0.423 185 K N 2.099 122.475 120.400 -0.040 0.000 2.174 185 K HA 0.410 4.730 4.320 0.000 0.000 0.275 185 K C -0.440 176.122 176.600 -0.063 0.000 1.015 185 K CA -0.392 55.815 56.287 -0.133 0.000 0.933 185 K CB 0.929 33.095 32.500 -0.557 0.000 1.025 185 K HN 0.598 nan 8.250 nan 0.000 0.463 186 D N 0.884 121.277 120.400 -0.013 0.000 2.837 186 D HA -0.162 4.478 4.640 0.000 0.000 0.230 186 D C -0.882 175.424 176.300 0.009 0.000 1.152 186 D CA 1.486 55.483 54.000 -0.004 0.000 0.736 186 D CB -0.760 40.023 40.800 -0.029 0.000 1.084 186 D HN 0.786 nan 8.370 nan 0.000 0.429 187 D N -1.372 119.047 120.400 0.031 0.000 2.584 187 D HA 0.419 5.059 4.640 0.000 0.000 0.238 187 D C 1.028 177.365 176.300 0.060 0.000 1.302 187 D CA 0.196 54.218 54.000 0.037 0.000 0.884 187 D CB 0.322 41.139 40.800 0.028 0.000 1.456 187 D HN 0.001 nan 8.370 nan 0.000 0.528 188 A N 2.065 124.922 122.820 0.061 0.000 1.948 188 A HA -0.204 4.116 4.320 0.000 0.000 0.220 188 A C 1.681 179.313 177.584 0.080 0.000 1.177 188 A CA 1.552 53.634 52.037 0.075 0.000 0.636 188 A CB -0.006 19.030 19.000 0.060 0.000 0.815 188 A HN 0.408 nan 8.150 nan 0.000 0.449 189 D N -0.352 120.085 120.400 0.062 0.000 2.123 189 D HA 0.050 4.690 4.640 0.000 0.000 0.200 189 D C 2.303 178.643 176.300 0.066 0.000 0.976 189 D CA 1.421 55.456 54.000 0.059 0.000 0.831 189 D CB -0.422 40.404 40.800 0.043 0.000 0.974 189 D HN 0.394 nan 8.370 nan 0.000 0.469 190 A N 0.710 123.565 122.820 0.059 0.000 1.902 190 A HA -0.225 4.095 4.320 0.000 0.000 0.217 190 A C 1.972 179.602 177.584 0.077 0.000 1.181 190 A CA 2.140 54.209 52.037 0.054 0.000 0.623 190 A CB -0.762 18.263 19.000 0.041 0.000 0.818 190 A HN 0.218 nan 8.150 nan 0.000 0.443 191 D N -0.270 120.199 120.400 0.115 0.000 2.104 191 D HA -0.172 4.468 4.640 0.000 0.000 0.194 191 D C 1.312 177.773 176.300 0.269 0.000 0.994 191 D CA 1.643 55.758 54.000 0.192 0.000 0.830 191 D CB -0.146 40.793 40.800 0.232 0.000 0.959 191 D HN 0.365 nan 8.370 nan 0.000 0.452 192 D N -0.129 120.399 120.400 0.212 0.000 2.123 192 D HA -0.155 4.485 4.640 0.000 0.000 0.196 192 D C 2.004 178.417 176.300 0.188 0.000 0.992 192 D CA 1.408 55.535 54.000 0.212 0.000 0.833 192 D CB -0.570 40.309 40.800 0.131 0.000 0.954 192 D HN 0.347 nan 8.370 nan 0.000 0.455 193 A N 0.752 123.643 122.820 0.118 0.000 1.902 193 A HA -0.213 4.107 4.320 0.000 0.000 0.217 193 A C 2.162 179.776 177.584 0.050 0.000 1.181 193 A CA 1.942 54.024 52.037 0.075 0.000 0.623 193 A CB -0.500 18.528 19.000 0.046 0.000 0.818 193 A HN 0.176 nan 8.150 nan 0.000 0.443 194 E N -0.955 119.256 120.200 0.018 0.000 2.047 194 E HA -0.184 4.166 4.350 0.000 0.000 0.191 194 E C 1.687 178.202 176.600 -0.140 0.000 0.987 194 E CA 1.482 57.822 56.400 -0.101 0.000 0.799 194 E CB -0.462 29.133 29.700 -0.175 0.000 0.752 194 E HN 0.717 nan 8.360 nan 0.000 0.449 195 W N 0.697 121.965 121.300 -0.053 0.000 2.388 195 W HA -0.072 4.588 4.660 0.000 0.000 0.294 195 W C 2.108 178.627 176.519 0.000 0.000 1.212 195 W CA 1.190 58.467 57.345 -0.114 0.000 1.271 195 W CB -0.306 29.132 29.460 -0.037 0.000 1.126 195 W HN 0.225 nan 8.180 nan 0.000 0.535 196 D N 0.016 120.590 120.400 0.291 0.000 2.117 196 D HA -0.207 4.434 4.640 0.000 0.000 0.197 196 D C 2.137 178.514 176.300 0.128 0.000 0.987 196 D CA 1.383 55.519 54.000 0.226 0.000 0.829 196 D CB -0.182 40.708 40.800 0.149 0.000 0.961 196 D HN -0.007 nan 8.370 nan 0.000 0.460 197 R N -0.318 120.209 120.500 0.045 0.000 2.073 197 R HA -0.061 4.279 4.340 0.000 0.000 0.234 197 R C 2.459 178.721 176.300 -0.063 0.000 1.134 197 R CA 1.022 57.111 56.100 -0.018 0.000 0.952 197 R CB -0.276 29.994 30.300 -0.051 0.000 0.850 197 R HN 0.249 nan 8.270 nan 0.000 0.433 198 L N -0.522 120.628 121.223 -0.122 0.000 2.027 198 L HA -0.168 4.172 4.340 0.000 0.000 0.206 198 L C 2.321 179.124 176.870 -0.112 0.000 1.074 198 L CA 1.126 55.838 54.840 -0.214 0.000 0.745 198 L CB -0.577 41.240 42.059 -0.402 0.000 0.898 198 L HN 0.214 nan 8.230 nan 0.000 0.433 199 Y N 0.325 120.626 120.300 0.002 0.000 2.224 199 Y HA -0.234 4.316 4.550 0.000 0.000 0.289 199 Y C 2.856 178.736 175.900 -0.032 0.000 1.146 199 Y CA 1.515 59.625 58.100 0.017 0.000 1.182 199 Y CB -1.074 37.429 38.460 0.071 0.000 0.983 199 Y HN 0.137 nan 8.280 nan 0.000 0.524 200 T N -0.508 114.118 114.554 0.121 0.000 2.777 200 T HA -0.185 4.165 4.350 0.000 0.000 0.266 200 T C 1.975 176.643 174.700 -0.054 0.000 1.040 200 T CA 1.578 63.701 62.100 0.038 0.000 1.141 200 T CB -0.128 68.754 68.868 0.023 0.000 0.868 200 T HN 0.223 nan 8.240 nan 0.000 0.444 201 K N 0.884 121.196 120.400 -0.146 0.000 2.057 201 K HA 0.041 4.361 4.320 0.000 0.000 0.206 201 K C 2.490 178.768 176.600 -0.536 0.000 1.050 201 K CA 1.061 57.129 56.287 -0.364 0.000 0.935 201 K CB -0.279 31.959 32.500 -0.437 0.000 0.715 201 K HN 0.252 nan 8.250 nan 0.000 0.439 202 A N 1.296 123.921 122.820 -0.325 0.000 1.902 202 A HA -0.213 4.107 4.320 0.000 0.000 0.217 202 A C 1.831 179.432 177.584 0.029 0.000 1.181 202 A CA 1.815 53.738 52.037 -0.189 0.000 0.623 202 A CB -0.528 18.477 19.000 0.008 0.000 0.818 202 A HN 0.464 nan 8.150 nan 0.000 0.443 203 E N 0.169 120.418 120.200 0.082 0.000 2.118 203 E HA -0.179 4.171 4.350 0.000 0.000 0.195 203 E C 2.376 179.056 176.600 0.133 0.000 0.992 203 E CA 1.541 58.028 56.400 0.144 0.000 0.804 203 E CB -0.195 29.561 29.700 0.094 0.000 0.741 203 E HN 0.825 nan 8.360 nan 0.000 0.458 204 S N 0.061 115.788 115.700 0.046 0.000 2.383 204 S HA -0.165 4.305 4.470 0.000 0.000 0.227 204 S C 1.929 176.661 174.600 0.219 0.000 1.026 204 S CA 0.679 58.932 58.200 0.089 0.000 0.981 204 S CB -0.420 62.801 63.200 0.034 0.000 0.818 204 S HN 0.199 nan 8.310 nan 0.000 0.472 205 Y N 0.714 121.030 120.300 0.026 0.000 2.181 205 Y HA 0.145 4.695 4.550 0.000 0.000 0.288 205 Y C 2.045 177.977 175.900 0.054 0.000 1.146 205 Y CA -0.141 57.940 58.100 -0.032 0.000 1.164 205 Y CB -1.146 37.209 38.460 -0.176 0.000 0.982 205 Y HN 0.295 nan 8.280 nan 0.000 0.515 206 F N 0.235 120.342 119.950 0.262 0.000 2.710 206 F HA 0.011 4.538 4.527 0.000 0.000 0.298 206 F C 0.848 176.760 175.800 0.188 0.000 1.137 206 F CA 0.244 58.388 58.000 0.241 0.000 1.444 206 F CB -0.377 38.788 39.000 0.274 0.000 1.111 206 F HN 0.005 nan 8.300 nan 0.000 0.580 207 Q N 0.430 120.416 119.800 0.311 0.000 2.463 207 Q HA -0.190 4.150 4.340 0.000 0.000 0.299 207 Q C 0.044 176.132 176.000 0.146 0.000 1.353 207 Q CA 0.764 56.678 55.803 0.185 0.000 0.828 207 Q CB -2.643 26.184 28.738 0.148 0.000 1.157 207 Q HN 0.222 nan 8.270 nan 0.000 0.436 208 T N -0.045 114.608 114.554 0.165 0.000 2.916 208 T HA 0.466 4.816 4.350 0.000 0.000 0.303 208 T C 0.776 175.509 174.700 0.054 0.000 1.025 208 T CA 0.559 62.719 62.100 0.100 0.000 1.142 208 T CB 1.347 70.282 68.868 0.111 0.000 0.947 208 T HN 0.490 nan 8.240 nan 0.000 0.544 209 G N 0.611 109.426 108.800 0.026 0.000 2.684 209 G HA2 0.548 4.508 3.960 0.000 0.000 0.290 209 G HA3 0.548 4.508 3.960 0.000 0.000 0.290 209 G C 0.013 174.922 174.900 0.014 0.000 1.425 209 G CA -0.586 44.521 45.100 0.012 0.000 0.822 209 G HN 0.632 nan 8.290 nan 0.000 0.482 210 T N -2.302 112.261 114.554 0.015 0.000 3.339 210 T HA 0.288 4.638 4.350 0.000 0.000 0.292 210 T C 0.053 174.771 174.700 0.029 0.000 1.012 210 T CA 0.463 62.583 62.100 0.032 0.000 0.937 210 T CB 0.316 69.208 68.868 0.040 0.000 1.164 210 T HN 0.523 nan 8.240 nan 0.000 0.509 211 D N 0.137 120.535 120.400 -0.003 0.000 2.520 211 D HA 0.056 4.696 4.640 0.000 0.000 0.223 211 D C 1.204 177.441 176.300 -0.105 0.000 1.186 211 D CA -0.108 53.869 54.000 -0.039 0.000 0.821 211 D CB -0.023 40.748 40.800 -0.048 0.000 1.072 211 D HN 0.268 nan 8.370 nan 0.000 0.518 212 Q N -0.367 119.373 119.800 -0.101 0.000 2.369 212 Q HA 0.154 4.494 4.340 0.000 0.000 0.206 212 Q C 0.280 175.926 176.000 -0.590 0.000 0.963 212 Q CA 0.900 56.517 55.803 -0.308 0.000 0.894 212 Q CB -0.225 28.320 28.738 -0.322 0.000 0.965 212 Q HN 0.266 nan 8.270 nan 0.000 0.475 213 F N 0.046 119.829 119.950 -0.278 0.000 2.735 213 F HA 0.234 4.761 4.527 0.000 0.000 0.304 213 F C 1.211 176.800 175.800 -0.352 0.000 1.119 213 F CA -0.548 57.242 58.000 -0.350 0.000 1.280 213 F CB 0.313 39.027 39.000 -0.478 0.000 0.994 213 F HN 0.004 nan 8.300 nan 0.000 0.520 214 K N 0.229 120.526 120.400 -0.172 0.000 2.211 214 K HA -0.089 4.231 4.320 0.000 0.000 0.203 214 K C 0.734 177.236 176.600 -0.163 0.000 1.050 214 K CA 1.615 57.846 56.287 -0.092 0.000 0.945 214 K CB -0.142 32.292 32.500 -0.111 0.000 0.732 214 K HN 0.316 nan 8.250 nan 0.000 0.451 215 E N 1.607 121.604 120.200 -0.340 0.000 2.499 215 E HA 0.055 4.405 4.350 0.000 0.000 0.199 215 E C -0.691 175.776 176.600 -0.221 0.000 1.016 215 E CA -0.327 55.674 56.400 -0.665 0.000 0.933 215 E CB 0.978 30.142 29.700 -0.892 0.000 1.050 215 E HN 0.218 nan 8.360 nan 0.000 0.462 216 S N 0.738 116.428 115.700 -0.016 0.000 2.510 216 S HA 0.134 4.604 4.470 0.000 0.000 0.279 216 S C 1.249 175.931 174.600 0.138 0.000 1.284 216 S CA -0.388 57.864 58.200 0.086 0.000 1.059 216 S CB 0.428 63.728 63.200 0.166 0.000 0.901 216 S HN 0.214 nan 8.310 nan 0.000 0.491 217 I N 4.954 125.489 120.570 -0.059 0.000 2.179 217 I HA -0.159 4.011 4.170 0.000 0.000 0.242 217 I C 2.730 178.677 176.117 -0.283 0.000 1.088 217 I CA 1.176 62.196 61.300 -0.466 0.000 1.357 217 I CB -0.233 37.271 38.000 -0.827 0.000 1.051 217 I HN 0.707 nan 8.210 nan 0.000 0.409 218 R N -0.477 119.948 120.500 -0.124 0.000 2.081 218 R HA -0.237 4.103 4.340 0.000 0.000 0.235 218 R C 2.365 178.699 176.300 0.056 0.000 1.131 218 R CA 1.795 57.872 56.100 -0.037 0.000 0.960 218 R CB -0.678 29.615 30.300 -0.011 0.000 0.856 218 R HN 0.436 nan 8.270 nan 0.000 0.436 219 H N 1.161 120.250 119.070 0.031 0.000 2.290 219 H HA -0.055 4.501 4.556 0.000 0.000 0.298 219 H C 1.775 177.174 175.328 0.118 0.000 1.087 219 H CA 1.939 58.029 56.048 0.070 0.000 1.291 219 H CB -0.115 29.718 29.762 0.119 0.000 1.369 219 H HN 0.125 nan 8.280 nan 0.000 0.492 220 N N 0.084 118.898 118.700 0.190 0.000 2.244 220 N HA -0.125 4.615 4.740 0.000 0.000 0.183 220 N C 2.015 177.679 175.510 0.256 0.000 1.016 220 N CA 0.960 54.162 53.050 0.253 0.000 0.866 220 N CB -0.189 38.650 38.487 0.587 0.000 0.980 220 N HN 0.305 nan 8.380 nan 0.000 0.430 221 L N 1.258 122.636 121.223 0.258 0.000 2.012 221 L HA -0.133 4.207 4.340 0.000 0.000 0.210 221 L C 2.140 179.069 176.870 0.099 0.000 1.073 221 L CA 1.417 56.407 54.840 0.250 0.000 0.748 221 L CB -0.546 41.612 42.059 0.165 0.000 0.891 221 L HN -0.120 nan 8.230 nan 0.000 0.431 222 V N -0.973 118.951 119.914 0.016 0.000 2.323 222 V HA -0.223 3.898 4.120 0.000 0.000 0.244 222 V C 2.401 178.425 176.094 -0.115 0.000 1.041 222 V CA 1.452 63.728 62.300 -0.040 0.000 1.025 222 V CB -0.626 31.152 31.823 -0.074 0.000 0.656 222 V HN 0.473 nan 8.190 nan 0.000 0.451 223 L N 1.178 122.293 121.223 -0.180 0.000 1.990 223 L HA -0.216 4.124 4.340 0.000 0.000 0.213 223 L C 2.221 179.025 176.870 -0.110 0.000 1.072 223 L CA 2.157 56.884 54.840 -0.188 0.000 0.755 223 L CB -1.049 40.861 42.059 -0.247 0.000 0.889 223 L HN 0.335 nan 8.230 nan 0.000 0.432 224 N N -0.289 118.395 118.700 -0.025 0.000 2.120 224 N HA -0.204 4.536 4.740 0.000 0.000 0.188 224 N C 1.857 177.351 175.510 -0.027 0.000 1.024 224 N CA 1.305 54.358 53.050 0.004 0.000 0.852 224 N CB -0.363 38.157 38.487 0.054 0.000 1.003 224 N HN 0.260 nan 8.380 nan 0.000 0.424 225 K N 1.439 121.822 120.400 -0.027 0.000 2.026 225 K HA 0.048 4.368 4.320 0.000 0.000 0.208 225 K C 1.998 178.553 176.600 -0.074 0.000 1.048 225 K CA 0.973 57.242 56.287 -0.030 0.000 0.929 225 K CB -0.590 31.910 32.500 -0.001 0.000 0.713 225 K HN 0.140 nan 8.250 nan 0.000 0.439 226 L N 0.054 121.163 121.223 -0.190 0.000 2.056 226 L HA -0.160 4.180 4.340 0.000 0.000 0.207 226 L C 2.237 178.924 176.870 -0.305 0.000 1.078 226 L CA 1.668 56.278 54.840 -0.383 0.000 0.749 226 L CB -0.774 40.670 42.059 -1.025 0.000 0.901 226 L HN 0.234 nan 8.230 nan 0.000 0.433 227 T N -0.802 113.619 114.554 -0.221 0.000 2.665 227 T HA -0.281 4.069 4.350 0.000 0.000 0.268 227 T C 1.778 176.529 174.700 0.085 0.000 1.035 227 T CA 1.819 63.950 62.100 0.052 0.000 1.151 227 T CB -0.165 68.743 68.868 0.067 0.000 0.862 227 T HN 0.407 nan 8.240 nan 0.000 0.438 228 E N 0.618 120.832 120.200 0.022 0.000 2.047 228 E HA -0.172 4.179 4.350 0.000 0.000 0.191 228 E C 2.194 178.797 176.600 0.005 0.000 0.987 228 E CA 0.926 57.334 56.400 0.013 0.000 0.799 228 E CB 0.025 29.716 29.700 -0.015 0.000 0.752 228 E HN 0.393 nan 8.360 nan 0.000 0.449 229 E N -0.416 119.775 120.200 -0.015 0.000 2.153 229 E HA -0.175 4.175 4.350 0.000 0.000 0.194 229 E C 0.727 177.185 176.600 -0.237 0.000 0.988 229 E CA 1.001 57.323 56.400 -0.130 0.000 0.811 229 E CB 0.001 29.610 29.700 -0.151 0.000 0.746 229 E HN 0.470 nan 8.360 nan 0.000 0.466 230 Y N 0.235 120.575 120.300 0.066 0.000 2.720 230 Y HA 0.204 4.754 4.550 0.000 0.000 0.268 230 Y C 0.474 176.439 175.900 0.109 0.000 1.142 230 Y CA -0.461 57.714 58.100 0.125 0.000 1.193 230 Y CB 0.386 39.014 38.460 0.280 0.000 1.176 230 Y HN -0.263 nan 8.280 nan 0.000 0.542 231 K N 0.679 121.172 120.400 0.155 0.000 2.484 231 K HA 0.186 4.506 4.320 0.000 0.000 0.280 231 K C 1.251 177.910 176.600 0.098 0.000 1.013 231 K CA 1.344 57.702 56.287 0.118 0.000 1.029 231 K CB 0.018 32.556 32.500 0.063 0.000 0.902 231 K HN 0.642 nan 8.250 nan 0.000 0.481 232 G N 3.056 111.914 108.800 0.097 0.000 2.184 232 G HA2 -0.305 3.655 3.960 0.000 0.000 0.264 232 G HA3 -0.305 3.655 3.960 0.000 0.000 0.264 232 G C 0.564 175.518 174.900 0.089 0.000 0.975 232 G CA 0.792 45.938 45.100 0.076 0.000 0.642 232 G HN 0.741 nan 8.290 nan 0.000 0.536 233 Q N -1.433 118.446 119.800 0.132 0.000 2.586 233 Q HA 0.282 4.622 4.340 0.000 0.000 0.243 233 Q C 1.081 177.164 176.000 0.139 0.000 0.846 233 Q CA 0.124 56.015 55.803 0.147 0.000 0.959 233 Q CB 0.952 29.810 28.738 0.200 0.000 1.227 233 Q HN 0.473 nan 8.270 nan 0.000 0.611 234 R N 0.640 121.235 120.500 0.158 0.000 2.698 234 R HA 0.404 4.744 4.340 0.000 0.000 0.275 234 R C -1.632 174.671 176.300 0.005 0.000 1.001 234 R CA -0.738 55.350 56.100 -0.020 0.000 0.896 234 R CB 1.730 31.803 30.300 -0.377 0.000 1.218 234 R HN -0.039 nan 8.270 nan 0.000 0.462 235 D N 1.514 121.847 120.400 -0.112 0.000 2.163 235 D HA 0.384 5.024 4.640 0.000 0.000 0.248 235 D C -0.745 175.405 176.300 -0.251 0.000 1.035 235 D CA 0.070 54.052 54.000 -0.029 0.000 0.872 235 D CB 1.151 41.947 40.800 -0.006 0.000 1.183 235 D HN 0.145 nan 8.370 nan 0.000 0.445 236 F N 0.770 120.720 119.950 0.002 0.000 2.538 236 F HA 0.407 4.934 4.527 0.000 0.000 0.325 236 F C 0.637 176.447 175.800 0.016 0.000 1.066 236 F CA -0.650 57.343 58.000 -0.011 0.000 0.946 236 F CB 1.745 40.732 39.000 -0.022 0.000 1.199 236 F HN 0.203 nan 8.300 nan 0.000 0.473 237 Q N 0.077 119.989 119.800 0.186 0.000 2.648 237 Q HA 0.348 4.688 4.340 0.000 0.000 0.300 237 Q C -1.537 174.569 176.000 0.177 0.000 0.954 237 Q CA -1.285 54.609 55.803 0.152 0.000 0.757 237 Q CB 1.724 30.520 28.738 0.096 0.000 1.482 237 Q HN 0.620 nan 8.270 nan 0.000 0.437 238 Q N 0.857 120.785 119.800 0.213 0.000 2.364 238 Q HA 0.203 4.543 4.340 0.000 0.000 0.267 238 Q C -0.455 175.612 176.000 0.111 0.000 0.999 238 Q CA -0.138 55.799 55.803 0.225 0.000 0.886 238 Q CB 0.500 29.334 28.738 0.160 0.000 1.243 238 Q HN 0.575 nan 8.270 nan 0.000 0.415 239 I N 6.446 127.062 120.570 0.077 0.000 2.821 239 I HA -0.091 4.080 4.170 0.000 0.000 0.294 239 I C -1.989 174.145 176.117 0.027 0.000 1.210 239 I CA -1.205 60.116 61.300 0.035 0.000 1.430 239 I CB 0.123 38.113 38.000 -0.016 0.000 1.356 239 I HN 0.430 nan 8.210 nan 0.000 0.563 240 P HA 0.224 nan 4.420 nan 0.000 0.271 240 P C -0.924 176.368 177.300 -0.014 0.000 1.233 240 P CA 0.155 63.258 63.100 0.005 0.000 0.764 240 P CB 0.455 32.147 31.700 -0.014 0.000 0.825 241 L N 2.521 123.744 121.223 -0.001 0.000 2.365 241 L HA 0.630 4.970 4.340 0.000 0.000 0.273 241 L C 0.386 177.242 176.870 -0.024 0.000 1.000 241 L CA -1.151 53.682 54.840 -0.011 0.000 0.819 241 L CB 2.044 44.157 42.059 0.090 0.000 1.284 241 L HN 0.241 nan 8.230 nan 0.000 0.418 242 A N 3.150 125.914 122.820 -0.094 0.000 2.805 242 A HA 0.732 5.052 4.320 0.000 0.000 0.301 242 A C 0.063 177.665 177.584 0.030 0.000 1.557 242 A CA 0.124 52.149 52.037 -0.021 0.000 1.254 242 A CB -0.454 18.473 19.000 -0.121 0.000 1.114 242 A HN 0.784 nan 8.150 nan 0.000 0.553 243 A N 1.686 124.495 122.820 -0.018 0.000 2.599 243 A HA 0.744 5.065 4.320 0.000 0.000 0.294 243 A C -0.495 176.982 177.584 -0.178 0.000 1.055 243 A CA -0.484 51.450 52.037 -0.171 0.000 0.683 243 A CB 0.773 19.483 19.000 -0.482 0.000 1.278 243 A HN 0.613 nan 8.150 nan 0.000 0.412 244 T N 1.346 115.766 114.554 -0.224 0.000 2.840 244 T HA 0.499 4.849 4.350 0.000 0.000 0.287 244 T C -0.061 174.490 174.700 -0.249 0.000 0.991 244 T CA -0.441 61.553 62.100 -0.177 0.000 0.964 244 T CB 1.259 70.078 68.868 -0.081 0.000 0.954 244 T HN 0.721 nan 8.240 nan 0.000 0.438 245 R N 2.211 122.553 120.500 -0.262 0.000 2.442 245 R HA 0.245 4.585 4.340 0.000 0.000 0.291 245 R C 0.787 177.007 176.300 -0.133 0.000 1.069 245 R CA -0.381 55.560 56.100 -0.265 0.000 1.022 245 R CB 0.384 30.495 30.300 -0.315 0.000 0.976 245 R HN 0.426 nan 8.270 nan 0.000 0.443 246 R N 1.075 121.547 120.500 -0.047 0.000 2.225 246 R HA 0.132 4.473 4.340 0.000 0.000 0.194 246 R C 0.206 176.492 176.300 -0.023 0.000 0.957 246 R CA 0.616 56.713 56.100 -0.004 0.000 1.042 246 R CB 0.386 30.726 30.300 0.066 0.000 1.004 246 R HN 0.756 nan 8.270 nan 0.000 0.509 247 S N -1.362 114.331 115.700 -0.012 0.000 2.636 247 S HA 0.366 4.836 4.470 0.000 0.000 0.268 247 S C -2.647 171.924 174.600 -0.049 0.000 1.159 247 S CA -1.042 57.144 58.200 -0.024 0.000 0.815 247 S CB 2.139 65.345 63.200 0.009 0.000 1.130 247 S HN -0.264 nan 8.310 nan 0.000 0.471 248 P HA 0.037 nan 4.420 nan 0.000 0.222 248 P C 0.971 178.240 177.300 -0.051 0.000 1.147 248 P CA 1.598 64.656 63.100 -0.069 0.000 0.790 248 P CB -0.175 31.500 31.700 -0.040 0.000 0.780 249 T N -6.295 108.262 114.554 0.006 0.000 3.132 249 T HA 0.308 4.658 4.350 0.000 0.000 0.274 249 T C -0.242 174.512 174.700 0.089 0.000 1.011 249 T CA -0.352 61.771 62.100 0.039 0.000 0.899 249 T CB -0.595 68.315 68.868 0.070 0.000 1.089 249 T HN -0.115 nan 8.240 nan 0.000 0.543 250 F N 1.434 121.324 119.950 -0.100 0.000 2.607 250 F HA 0.627 5.154 4.527 0.000 0.000 0.322 250 F C -1.628 174.049 175.800 -0.205 0.000 1.176 250 F CA -1.109 56.831 58.000 -0.101 0.000 0.977 250 F CB 1.818 40.776 39.000 -0.071 0.000 1.242 250 F HN -0.116 nan 8.300 nan 0.000 0.465 251 V N 5.269 124.794 119.914 -0.647 0.000 2.459 251 V HA 0.306 4.426 4.120 0.000 0.000 0.295 251 V C -0.359 175.189 176.094 -0.910 0.000 1.029 251 V CA -0.804 61.051 62.300 -0.742 0.000 0.874 251 V CB 1.749 32.957 31.823 -1.025 0.000 0.985 251 V HN 0.714 nan 8.190 nan 0.000 0.438 252 E N 4.377 124.302 120.200 -0.458 0.000 2.001 252 E HA 0.164 4.514 4.350 0.000 0.000 0.279 252 E C -1.127 175.287 176.600 -0.310 0.000 1.045 252 E CA -0.550 55.732 56.400 -0.197 0.000 0.833 252 E CB 0.450 30.203 29.700 0.088 0.000 1.077 252 E HN 0.630 nan 8.360 nan 0.000 0.397 253 W N 2.769 123.971 121.300 -0.164 0.000 2.216 253 W HA 0.110 4.770 4.660 0.000 0.000 0.326 253 W C 0.724 177.258 176.519 0.026 0.000 1.319 253 W CA -0.484 56.732 57.345 -0.215 0.000 1.213 253 W CB 0.895 29.968 29.460 -0.646 0.000 1.171 253 W HN 0.322 nan 8.180 nan 0.000 0.557 254 S N 1.584 117.487 115.700 0.338 0.000 2.624 254 S HA 0.607 5.077 4.470 0.000 0.000 0.263 254 S C 0.132 175.177 174.600 0.741 0.000 1.287 254 S CA -0.509 57.967 58.200 0.460 0.000 0.990 254 S CB 1.139 64.614 63.200 0.459 0.000 0.950 254 S HN 0.520 nan 8.310 nan 0.000 0.561 255 S N -0.612 115.479 115.700 0.651 0.000 2.703 255 S HA 0.659 5.129 4.470 0.000 0.000 0.273 255 S C 0.700 175.508 174.600 0.346 0.000 1.178 255 S CA -0.319 58.199 58.200 0.531 0.000 0.838 255 S CB 0.506 63.938 63.200 0.386 0.000 1.178 255 S HN 0.739 nan 8.310 nan 0.000 0.494 256 A N 1.621 124.534 122.820 0.155 0.000 1.917 256 A HA -0.192 4.129 4.320 0.000 0.000 0.219 256 A C 2.011 179.643 177.584 0.080 0.000 1.182 256 A CA 2.191 54.272 52.037 0.074 0.000 0.633 256 A CB -1.530 17.481 19.000 0.019 0.000 0.819 256 A HN 0.875 nan 8.150 nan 0.000 0.448 257 N N -0.525 118.232 118.700 0.095 0.000 2.205 257 N HA -0.153 4.587 4.740 0.000 0.000 0.186 257 N C 1.497 177.035 175.510 0.047 0.000 1.015 257 N CA 2.013 55.094 53.050 0.051 0.000 0.862 257 N CB -0.232 38.298 38.487 0.073 0.000 0.986 257 N HN 0.476 nan 8.380 nan 0.000 0.429 258 T N 0.383 115.013 114.554 0.127 0.000 2.821 258 T HA -0.044 4.306 4.350 0.000 0.000 0.267 258 T C 2.079 176.817 174.700 0.063 0.000 1.046 258 T CA 1.060 63.240 62.100 0.133 0.000 1.139 258 T CB -0.170 68.854 68.868 0.261 0.000 0.871 258 T HN 0.048 nan 8.240 nan 0.000 0.454 259 V N -0.388 119.543 119.914 0.029 0.000 2.323 259 V HA 0.147 4.267 4.120 0.000 0.000 0.244 259 V C 0.503 176.550 176.094 -0.079 0.000 1.041 259 V CA 0.987 63.220 62.300 -0.113 0.000 1.025 259 V CB -0.344 31.362 31.823 -0.195 0.000 0.656 259 V HN 0.476 nan 8.190 nan 0.000 0.451 260 F N 0.892 120.716 119.950 -0.210 0.000 2.605 260 F HA 0.385 4.912 4.527 0.000 0.000 0.320 260 F C 0.237 175.923 175.800 -0.191 0.000 1.159 260 F CA -1.681 56.167 58.000 -0.253 0.000 0.999 260 F CB 1.443 40.238 39.000 -0.342 0.000 1.258 260 F HN 0.159 nan 8.300 nan 0.000 0.464 261 D N 4.554 124.493 120.400 -0.768 0.000 2.348 261 D HA -0.045 4.595 4.640 0.000 0.000 0.216 261 D C 1.167 177.201 176.300 -0.442 0.000 0.970 261 D CA 1.203 54.919 54.000 -0.473 0.000 0.889 261 D CB 0.013 40.589 40.800 -0.373 0.000 0.912 261 D HN 0.670 nan 8.370 nan 0.000 0.524 262 L N -1.984 118.800 121.223 -0.731 0.000 4.759 262 L HA -0.220 4.121 4.340 0.000 0.000 0.419 262 L C -0.298 176.563 176.870 -0.016 0.000 1.093 262 L CA 0.345 55.070 54.840 -0.192 0.000 1.037 262 L CB -1.358 40.717 42.059 0.026 0.000 2.095 262 L HN 0.213 nan 8.230 nan 0.000 0.739 263 Q N 1.061 120.752 119.800 -0.182 0.000 2.314 263 Q HA 0.254 4.594 4.340 0.000 0.000 0.258 263 Q C 0.345 176.419 176.000 0.124 0.000 0.954 263 Q CA -0.147 55.630 55.803 -0.043 0.000 0.890 263 Q CB 0.728 29.403 28.738 -0.105 0.000 1.210 263 Q HN 0.130 nan 8.270 nan 0.000 0.410 264 N N 2.021 120.780 118.700 0.098 0.000 2.454 264 N HA 0.088 4.828 4.740 0.000 0.000 0.254 264 N C -0.256 175.320 175.510 0.111 0.000 1.228 264 N CA 0.390 53.500 53.050 0.101 0.000 0.900 264 N CB 0.599 39.049 38.487 -0.063 0.000 1.089 264 N HN 0.264 nan 8.380 nan 0.000 0.449 265 R N 1.155 121.752 120.500 0.161 0.000 2.807 265 R HA 0.499 4.839 4.340 0.000 0.000 0.276 265 R C -2.429 173.937 176.300 0.110 0.000 0.979 265 R CA -1.626 54.557 56.100 0.138 0.000 0.928 265 R CB 1.709 32.121 30.300 0.187 0.000 1.191 265 R HN 0.387 nan 8.270 nan 0.000 0.471 266 P HA 0.054 nan 4.420 nan 0.000 0.269 266 P C -1.310 176.043 177.300 0.090 0.000 1.209 266 P CA -0.137 63.052 63.100 0.148 0.000 0.776 266 P CB 0.596 32.430 31.700 0.223 0.000 0.876 267 N N -1.002 117.739 118.700 0.068 0.000 2.972 267 N HA 0.244 4.984 4.740 0.000 0.000 0.262 267 N C 0.558 176.082 175.510 0.024 0.000 1.478 267 N CA -0.765 52.306 53.050 0.035 0.000 0.841 267 N CB -0.555 37.942 38.487 0.016 0.000 1.512 267 N HN 0.053 nan 8.380 nan 0.000 0.548 268 T N -0.842 113.718 114.554 0.010 0.000 2.759 268 T HA -0.099 4.251 4.350 0.000 0.000 0.269 268 T C 0.345 175.046 174.700 0.001 0.000 1.042 268 T CA 1.572 63.675 62.100 0.004 0.000 1.140 268 T CB -0.412 68.454 68.868 -0.003 0.000 0.864 268 T HN 0.516 nan 8.240 nan 0.000 0.455 269 D N 1.131 121.528 120.400 -0.004 0.000 2.277 269 D HA 0.175 4.815 4.640 0.000 0.000 0.208 269 D C 0.874 177.174 176.300 0.001 0.000 0.962 269 D CA 0.444 54.438 54.000 -0.009 0.000 0.865 269 D CB 0.147 40.932 40.800 -0.025 0.000 0.939 269 D HN 0.405 nan 8.370 nan 0.000 0.510 270 A N 1.284 124.113 122.820 0.016 0.000 3.370 270 A HA 0.302 4.622 4.320 0.000 0.000 0.295 270 A C -1.955 175.672 177.584 0.071 0.000 1.030 270 A CA -0.828 51.233 52.037 0.040 0.000 0.883 270 A CB 0.968 19.992 19.000 0.041 0.000 1.191 270 A HN -0.142 nan 8.150 nan 0.000 0.507 271 P HA -0.048 nan 4.420 nan 0.000 0.231 271 P C 0.472 177.842 177.300 0.117 0.000 1.168 271 P CA 0.949 64.089 63.100 0.067 0.000 0.779 271 P CB 0.452 32.163 31.700 0.017 0.000 0.844 272 E N -0.104 120.176 120.200 0.135 0.000 2.465 272 E HA 0.123 4.473 4.350 0.000 0.000 0.195 272 E C 0.181 176.986 176.600 0.342 0.000 1.028 272 E CA 0.009 56.549 56.400 0.233 0.000 0.899 272 E CB 0.480 30.247 29.700 0.112 0.000 1.032 272 E HN 0.488 nan 8.360 nan 0.000 0.468 273 E N 0.948 121.295 120.200 0.245 0.000 2.232 273 E HA 0.444 4.794 4.350 0.000 0.000 0.265 273 E C -0.255 176.422 176.600 0.128 0.000 1.001 273 E CA -0.580 55.920 56.400 0.168 0.000 0.870 273 E CB 1.467 31.253 29.700 0.143 0.000 1.175 273 E HN -0.116 nan 8.360 nan 0.000 0.407 274 R N 1.695 122.232 120.500 0.060 0.000 2.507 274 R HA 0.399 4.739 4.340 0.000 0.000 0.298 274 R C -1.618 174.773 176.300 0.153 0.000 1.087 274 R CA -0.504 55.599 56.100 0.005 0.000 0.917 274 R CB 0.954 31.119 30.300 -0.224 0.000 1.173 274 R HN 0.385 nan 8.270 nan 0.000 0.472 275 F N 2.180 122.127 119.950 -0.005 0.000 2.588 275 F HA 0.460 4.988 4.527 0.000 0.000 0.314 275 F C -1.652 174.098 175.800 -0.084 0.000 1.134 275 F CA -0.691 57.301 58.000 -0.014 0.000 0.961 275 F CB 2.050 41.111 39.000 0.101 0.000 1.239 275 F HN 0.372 nan 8.300 nan 0.000 0.448 276 N N 4.623 122.657 118.700 -1.110 0.000 2.295 276 N HA 0.592 5.332 4.740 0.000 0.000 0.293 276 N C -2.058 172.440 175.510 -1.687 0.000 1.040 276 N CA -0.637 51.695 53.050 -1.196 0.000 0.840 276 N CB 2.377 40.345 38.487 -0.865 0.000 1.468 276 N HN 0.577 nan 8.380 nan 0.000 0.478 277 L N 2.479 122.903 121.223 -1.330 0.000 2.295 277 L HA 0.638 4.978 4.340 0.000 0.000 0.285 277 L C -1.656 174.652 176.870 -0.937 0.000 1.035 277 L CA -0.279 54.036 54.840 -0.875 0.000 0.806 277 L CB 0.171 42.065 42.059 -0.275 0.000 1.214 277 L HN 0.474 nan 8.230 nan 0.000 0.426 278 F N 6.377 126.075 119.950 -0.419 0.000 2.443 278 F HA 0.528 5.055 4.527 0.000 0.000 0.369 278 F C -2.140 173.604 175.800 -0.093 0.000 1.090 278 F CA -2.088 55.754 58.000 -0.263 0.000 1.129 278 F CB 0.714 39.516 39.000 -0.330 0.000 1.367 278 F HN 0.412 nan 8.300 nan 0.000 0.465 279 P HA 0.310 nan 4.420 nan 0.000 0.276 279 P C -0.036 177.323 177.300 0.099 0.000 1.252 279 P CA -0.186 62.956 63.100 0.070 0.000 0.802 279 P CB 1.046 32.766 31.700 0.033 0.000 1.035 280 A N -0.596 122.266 122.820 0.070 0.000 2.739 280 A HA -0.090 4.230 4.320 0.000 0.000 0.296 280 A C -0.106 177.512 177.584 0.057 0.000 1.488 280 A CA 0.635 52.706 52.037 0.056 0.000 0.746 280 A CB -2.401 16.631 19.000 0.052 0.000 1.047 280 A HN 0.259 nan 8.150 nan 0.000 0.477 281 V N -0.096 119.866 119.914 0.081 0.000 2.380 281 V HA 0.644 4.764 4.120 0.000 0.000 0.286 281 V C 0.605 176.714 176.094 0.025 0.000 1.015 281 V CA -0.317 62.036 62.300 0.089 0.000 0.834 281 V CB 1.415 33.390 31.823 0.253 0.000 1.009 281 V HN 1.548 nan 8.190 nan 0.000 0.428 282 A N 4.133 126.942 122.820 -0.019 0.000 2.396 282 A HA 0.414 4.734 4.320 0.000 0.000 0.279 282 A C 0.222 177.789 177.584 -0.028 0.000 1.165 282 A CA -0.101 51.910 52.037 -0.043 0.000 0.824 282 A CB -0.134 18.883 19.000 0.027 0.000 1.100 282 A HN 0.856 nan 8.150 nan 0.000 0.516 283 C N 3.025 122.285 119.300 -0.067 0.000 2.394 283 C HA 0.306 4.766 4.460 0.000 0.000 0.362 283 C C 1.403 176.361 174.990 -0.054 0.000 1.268 283 C CA -0.227 58.740 59.018 -0.085 0.000 1.828 283 C CB -0.497 27.189 27.740 -0.091 0.000 2.442 283 C HN 1.018 nan 8.230 nan 0.000 0.549 284 E N 0.935 121.118 120.200 -0.029 0.000 2.290 284 E HA 0.138 4.488 4.350 0.000 0.000 0.199 284 E C 0.374 176.950 176.600 -0.039 0.000 0.912 284 E CA 0.403 56.794 56.400 -0.015 0.000 0.924 284 E CB 0.513 30.224 29.700 0.018 0.000 0.901 284 E HN 0.591 nan 8.360 nan 0.000 0.487 285 R N 0.828 121.299 120.500 -0.049 0.000 2.566 285 R HA 0.241 4.581 4.340 0.000 0.000 0.271 285 R C -1.214 174.996 176.300 -0.149 0.000 1.071 285 R CA -0.462 55.578 56.100 -0.101 0.000 0.915 285 R CB 2.469 32.687 30.300 -0.135 0.000 1.228 285 R HN -0.072 nan 8.270 nan 0.000 0.449 286 V N 0.383 120.201 119.914 -0.160 0.000 2.465 286 V HA 0.510 4.630 4.120 0.000 0.000 0.279 286 V C 0.108 176.061 176.094 -0.236 0.000 1.045 286 V CA -0.705 61.455 62.300 -0.232 0.000 0.938 286 V CB 1.566 33.238 31.823 -0.252 0.000 0.986 286 V HN 0.369 nan 8.190 nan 0.000 0.467 287 V N 6.139 125.873 119.914 -0.300 0.000 2.385 287 V HA 0.424 4.544 4.120 0.000 0.000 0.269 287 V C 0.691 176.699 176.094 -0.142 0.000 1.043 287 V CA -0.397 61.747 62.300 -0.260 0.000 0.906 287 V CB 0.707 32.343 31.823 -0.311 0.000 0.995 287 V HN 0.939 nan 8.190 nan 0.000 0.467 288 R N 3.957 124.406 120.500 -0.085 0.000 2.441 288 R HA 0.303 4.643 4.340 0.000 0.000 0.284 288 R C 0.345 176.664 176.300 0.030 0.000 1.070 288 R CA -0.588 55.545 56.100 0.056 0.000 1.047 288 R CB 0.669 30.990 30.300 0.036 0.000 1.016 288 R HN 0.858 nan 8.270 nan 0.000 0.477 289 N N 1.529 120.267 118.700 0.064 0.000 2.354 289 N HA -0.003 4.737 4.740 0.000 0.000 0.246 289 N C 0.506 176.009 175.510 -0.012 0.000 1.285 289 N CA 0.063 53.120 53.050 0.012 0.000 0.925 289 N CB 0.502 38.995 38.487 0.008 0.000 1.174 289 N HN 0.575 nan 8.380 nan 0.000 0.478 290 A N 0.325 123.132 122.820 -0.022 0.000 2.015 290 A HA -0.026 4.294 4.320 0.000 0.000 0.219 290 A C 2.150 179.707 177.584 -0.045 0.000 1.163 290 A CA 0.809 52.828 52.037 -0.031 0.000 0.646 290 A CB -0.746 18.239 19.000 -0.025 0.000 0.806 290 A HN 0.647 nan 8.150 nan 0.000 0.448 291 L N -0.783 120.405 121.223 -0.059 0.000 2.552 291 L HA -0.013 4.327 4.340 0.000 0.000 0.227 291 L C 0.047 176.828 176.870 -0.148 0.000 1.146 291 L CA -0.041 54.748 54.840 -0.086 0.000 0.858 291 L CB -0.460 41.550 42.059 -0.082 0.000 0.969 291 L HN 0.385 nan 8.230 nan 0.000 0.451 292 N N 0.254 118.854 118.700 -0.165 0.000 2.725 292 N HA -0.179 4.561 4.740 0.000 0.000 0.251 292 N C 0.913 175.885 175.510 -0.896 0.000 1.031 292 N CA 1.032 53.889 53.050 -0.323 0.000 0.720 292 N CB -1.056 37.366 38.487 -0.108 0.000 0.930 292 N HN 0.544 nan 8.380 nan 0.000 0.543 293 S N -2.031 113.258 115.700 -0.685 0.000 2.604 293 S HA 0.253 4.723 4.470 0.000 0.000 0.235 293 S C 0.312 174.649 174.600 -0.439 0.000 1.043 293 S CA -0.119 57.702 58.200 -0.633 0.000 0.997 293 S CB 1.566 64.605 63.200 -0.269 0.000 0.956 293 S HN 0.411 nan 8.310 nan 0.000 0.535 294 E N 0.154 120.231 120.200 -0.204 0.000 2.390 294 E HA 0.433 4.783 4.350 0.000 0.000 0.280 294 E C -1.697 175.084 176.600 0.301 0.000 0.992 294 E CA -0.888 55.606 56.400 0.157 0.000 0.790 294 E CB 1.309 31.070 29.700 0.102 0.000 1.248 294 E HN 0.089 nan 8.360 nan 0.000 0.447 295 I N 3.479 124.199 120.570 0.250 0.000 2.395 295 I HA 0.116 4.286 4.170 0.000 0.000 0.289 295 I C 0.900 176.975 176.117 -0.070 0.000 1.023 295 I CA 0.124 61.391 61.300 -0.054 0.000 1.350 295 I CB 1.204 38.929 38.000 -0.458 0.000 1.409 295 I HN 0.680 nan 8.210 nan 0.000 0.507 296 E N 3.386 123.532 120.200 -0.090 0.000 2.364 296 E HA 0.073 4.423 4.350 0.000 0.000 0.196 296 E C 0.307 176.947 176.600 0.068 0.000 0.990 296 E CA 0.336 56.752 56.400 0.026 0.000 0.886 296 E CB 0.504 30.220 29.700 0.027 0.000 0.866 296 E HN 0.730 nan 8.360 nan 0.000 0.493 297 S N -0.570 115.081 115.700 -0.082 0.000 2.645 297 S HA 0.427 4.897 4.470 0.000 0.000 0.268 297 S C -1.638 172.924 174.600 -0.064 0.000 1.110 297 S CA -1.074 57.181 58.200 0.092 0.000 0.823 297 S CB 0.974 64.278 63.200 0.172 0.000 1.091 297 S HN 0.012 nan 8.310 nan 0.000 0.466 298 L N 1.861 123.181 121.223 0.161 0.000 2.325 298 L HA 0.581 4.921 4.340 0.000 0.000 0.281 298 L C -0.782 176.181 176.870 0.156 0.000 1.004 298 L CA -0.130 54.754 54.840 0.074 0.000 0.823 298 L CB 1.015 43.145 42.059 0.119 0.000 1.236 298 L HN 0.908 nan 8.230 nan 0.000 0.415 299 H N 6.035 125.061 119.070 -0.073 0.000 2.562 299 H HA 0.546 5.102 4.556 0.000 0.000 0.314 299 H C -0.348 174.924 175.328 -0.094 0.000 1.079 299 H CA -0.557 55.452 56.048 -0.065 0.000 1.349 299 H CB 1.306 31.035 29.762 -0.056 0.000 1.432 299 H HN 0.684 nan 8.280 nan 0.000 0.479 300 I N -0.172 120.400 120.570 0.002 0.000 3.002 300 I HA 0.405 4.575 4.170 0.000 0.000 0.310 300 I C -0.931 175.236 176.117 0.083 0.000 1.087 300 I CA -0.951 60.321 61.300 -0.047 0.000 1.017 300 I CB 3.004 40.854 38.000 -0.250 0.000 1.226 300 I HN 0.590 nan 8.210 nan 0.000 0.443 301 H N 2.968 122.026 119.070 -0.021 0.000 2.906 301 H HA 0.239 4.795 4.556 0.000 0.000 0.324 301 H C -1.643 173.722 175.328 0.061 0.000 0.973 301 H CA -0.632 55.417 56.048 0.002 0.000 1.321 301 H CB 1.578 31.340 29.762 -0.000 0.000 1.535 301 H HN 0.795 nan 8.280 nan 0.000 0.518 302 D N 5.668 126.043 120.400 -0.042 0.000 2.325 302 D HA 0.021 4.661 4.640 0.000 0.000 0.251 302 D C 1.009 177.148 176.300 -0.268 0.000 1.196 302 D CA -0.202 53.779 54.000 -0.033 0.000 0.866 302 D CB 1.057 41.972 40.800 0.193 0.000 1.101 302 D HN 0.673 nan 8.370 nan 0.000 0.476 303 L N 4.067 125.153 121.223 -0.229 0.000 2.395 303 L HA -0.083 4.257 4.340 0.000 0.000 0.218 303 L C 1.823 178.644 176.870 -0.083 0.000 1.130 303 L CA 0.104 54.807 54.840 -0.228 0.000 0.826 303 L CB -0.037 41.980 42.059 -0.070 0.000 0.941 303 L HN 0.512 nan 8.230 nan 0.000 0.451 304 I N -0.594 119.960 120.570 -0.027 0.000 2.385 304 I HA -0.129 4.041 4.170 0.000 0.000 0.244 304 I C 2.733 178.862 176.117 0.020 0.000 1.089 304 I CA 1.578 62.885 61.300 0.012 0.000 1.410 304 I CB -1.241 36.779 38.000 0.034 0.000 1.117 304 I HN 0.254 nan 8.210 nan 0.000 0.429 305 S N 0.451 116.174 115.700 0.038 0.000 2.436 305 S HA 0.098 4.569 4.470 0.000 0.000 0.228 305 S C 1.851 176.479 174.600 0.046 0.000 1.014 305 S CA 0.913 59.147 58.200 0.056 0.000 0.950 305 S CB -0.027 63.235 63.200 0.103 0.000 0.784 305 S HN 0.608 nan 8.310 nan 0.000 0.504 306 G N 0.880 109.697 108.800 0.029 0.000 2.195 306 G HA2 -0.188 3.772 3.960 0.000 0.000 0.246 306 G HA3 -0.188 3.772 3.960 0.000 0.000 0.246 306 G C -0.361 174.628 174.900 0.148 0.000 0.984 306 G CA 0.132 45.297 45.100 0.108 0.000 0.633 306 G HN 0.553 nan 8.290 nan 0.000 0.525 307 D N 0.486 120.906 120.400 0.034 0.000 2.344 307 D HA 0.577 5.217 4.640 0.000 0.000 0.244 307 D C 0.906 177.042 176.300 -0.274 0.000 1.134 307 D CA 0.073 53.965 54.000 -0.180 0.000 0.930 307 D CB 0.627 41.246 40.800 -0.303 0.000 1.175 307 D HN 0.370 nan 8.370 nan 0.000 0.437 308 R N 0.656 120.831 120.500 -0.542 0.000 2.589 308 R HA 0.610 4.950 4.340 0.000 0.000 0.293 308 R C -0.804 174.992 176.300 -0.840 0.000 0.963 308 R CA -0.647 55.182 56.100 -0.452 0.000 0.905 308 R CB 1.201 31.341 30.300 -0.267 0.000 1.144 308 R HN 0.280 nan 8.270 nan 0.000 0.459 309 F N -0.042 119.837 119.950 -0.119 0.000 2.629 309 F HA 0.287 4.814 4.527 0.000 0.000 0.316 309 F C -0.218 175.460 175.800 -0.203 0.000 1.081 309 F CA -1.075 56.839 58.000 -0.143 0.000 0.954 309 F CB 1.812 40.749 39.000 -0.104 0.000 1.337 309 F HN 0.439 nan 8.300 nan 0.000 0.474 310 E N 1.938 122.159 120.200 0.035 0.000 2.158 310 E HA 0.637 4.987 4.350 0.000 0.000 0.271 310 E C -1.619 175.057 176.600 0.127 0.000 0.911 310 E CA -0.690 55.743 56.400 0.055 0.000 0.767 310 E CB 1.788 31.508 29.700 0.032 0.000 1.120 310 E HN 0.359 nan 8.360 nan 0.000 0.405 311 I N 2.747 123.403 120.570 0.143 0.000 2.404 311 I HA 0.371 4.541 4.170 0.000 0.000 0.293 311 I C -0.194 176.072 176.117 0.248 0.000 0.992 311 I CA -0.887 60.511 61.300 0.164 0.000 1.149 311 I CB 1.363 39.417 38.000 0.090 0.000 1.315 311 I HN 0.675 nan 8.210 nan 0.000 0.446 312 K N 4.048 124.587 120.400 0.232 0.000 2.207 312 K HA 0.874 5.194 4.320 0.000 0.000 0.255 312 K C -1.100 175.590 176.600 0.151 0.000 0.941 312 K CA -0.369 56.062 56.287 0.240 0.000 0.825 312 K CB 2.216 34.821 32.500 0.175 0.000 1.119 312 K HN 0.826 nan 8.250 nan 0.000 0.430 313 A N 2.348 125.167 122.820 -0.001 0.000 2.594 313 A HA 0.335 4.655 4.320 0.000 0.000 0.291 313 A C -0.510 176.958 177.584 -0.192 0.000 1.105 313 A CA -0.691 51.229 52.037 -0.195 0.000 0.694 313 A CB 1.113 19.823 19.000 -0.484 0.000 1.291 313 A HN 0.811 nan 8.150 nan 0.000 0.410 314 D N -0.478 119.859 120.400 -0.106 0.000 2.144 314 D HA 0.066 4.706 4.640 0.000 0.000 0.200 314 D C 0.353 176.567 176.300 -0.143 0.000 0.978 314 D CA 1.783 55.782 54.000 -0.001 0.000 0.833 314 D CB 0.131 40.994 40.800 0.104 0.000 0.961 314 D HN 0.224 nan 8.370 nan 0.000 0.470 315 V N 0.456 120.126 119.914 -0.407 0.000 2.709 315 V HA 0.278 4.398 4.120 0.000 0.000 0.308 315 V C -1.273 174.537 176.094 -0.474 0.000 1.062 315 V CA -0.886 61.165 62.300 -0.416 0.000 0.901 315 V CB 1.950 33.392 31.823 -0.635 0.000 1.003 315 V HN -0.071 nan 8.190 nan 0.000 0.425 316 Y N 2.766 123.051 120.300 -0.025 0.000 2.341 316 Y HA 0.723 5.273 4.550 0.000 0.000 0.338 316 Y C -0.130 175.735 175.900 -0.059 0.000 0.965 316 Y CA -0.934 57.141 58.100 -0.042 0.000 1.108 316 Y CB 2.164 40.604 38.460 -0.034 0.000 1.180 316 Y HN 0.348 nan 8.280 nan 0.000 0.458 317 V N 5.367 125.247 119.914 -0.058 0.000 2.531 317 V HA 0.410 4.530 4.120 0.000 0.000 0.301 317 V C -0.553 175.413 176.094 -0.213 0.000 1.034 317 V CA -0.944 61.210 62.300 -0.242 0.000 0.865 317 V CB 1.790 33.257 31.823 -0.593 0.000 0.995 317 V HN 0.589 nan 8.190 nan 0.000 0.424 318 L N 5.025 126.120 121.223 -0.213 0.000 2.276 318 L HA 0.589 4.929 4.340 0.000 0.000 0.286 318 L C 0.309 177.078 176.870 -0.169 0.000 1.024 318 L CA -0.193 54.542 54.840 -0.174 0.000 0.826 318 L CB 1.620 43.558 42.059 -0.201 0.000 1.211 318 L HN 0.825 nan 8.230 nan 0.000 0.422 319 T N -1.588 112.902 114.554 -0.107 0.000 3.624 319 T HA 0.377 4.727 4.350 0.000 0.000 0.244 319 T C 0.583 175.287 174.700 0.007 0.000 1.063 319 T CA -0.113 61.962 62.100 -0.043 0.000 1.252 319 T CB 1.004 69.846 68.868 -0.044 0.000 1.021 319 T HN 0.538 nan 8.240 nan 0.000 0.590 320 A N 0.753 123.587 122.820 0.024 0.000 2.345 320 A HA 0.790 5.110 4.320 0.000 0.000 0.225 320 A C 1.364 179.022 177.584 0.123 0.000 1.243 320 A CA 0.070 52.142 52.037 0.058 0.000 0.875 320 A CB -0.653 18.377 19.000 0.050 0.000 0.929 320 A HN 1.751 nan 8.150 nan 0.000 0.502 321 G N -2.444 106.429 108.800 0.123 0.000 2.662 321 G HA2 0.268 4.228 3.960 0.000 0.000 0.686 321 G HA3 0.268 4.228 3.960 0.000 0.000 0.686 321 G C 0.756 175.760 174.900 0.174 0.000 1.271 321 G CA -0.292 44.894 45.100 0.143 0.000 0.816 321 G HN 1.292 nan 8.290 nan 0.000 0.608 322 A N -0.277 122.631 122.820 0.147 0.000 1.940 322 A HA 0.169 4.489 4.320 0.000 0.000 0.219 322 A C 2.640 180.305 177.584 0.134 0.000 1.176 322 A CA 3.289 55.401 52.037 0.126 0.000 0.631 322 A CB -0.350 18.695 19.000 0.074 0.000 0.814 322 A HN 1.601 nan 8.150 nan 0.000 0.446 323 V N -1.130 118.829 119.914 0.075 0.000 2.346 323 V HA -0.179 3.941 4.120 0.000 0.000 0.244 323 V C 2.210 178.279 176.094 -0.042 0.000 1.037 323 V CA 2.115 64.411 62.300 -0.006 0.000 1.029 323 V CB -1.003 30.710 31.823 -0.184 0.000 0.663 323 V HN 0.729 nan 8.190 nan 0.000 0.454 324 H N -0.159 118.989 119.070 0.131 0.000 2.502 324 H HA -0.019 4.537 4.556 0.000 0.000 0.283 324 H C 2.254 177.585 175.328 0.004 0.000 1.015 324 H CA 0.998 57.080 56.048 0.056 0.000 1.298 324 H CB 0.062 29.836 29.762 0.020 0.000 1.411 324 H HN 0.315 nan 8.280 nan 0.000 0.556 325 N N -0.220 118.552 118.700 0.120 0.000 2.120 325 N HA -0.117 4.623 4.740 0.000 0.000 0.188 325 N C 1.725 177.226 175.510 -0.015 0.000 1.024 325 N CA 1.771 54.832 53.050 0.018 0.000 0.852 325 N CB -0.420 38.073 38.487 0.009 0.000 1.003 325 N HN 0.323 nan 8.380 nan 0.000 0.424 326 T N 0.603 115.216 114.554 0.098 0.000 2.777 326 T HA -0.136 4.214 4.350 0.000 0.000 0.266 326 T C 1.835 176.394 174.700 -0.236 0.000 1.040 326 T CA 0.957 63.111 62.100 0.090 0.000 1.141 326 T CB -0.150 68.913 68.868 0.325 0.000 0.868 326 T HN 0.339 nan 8.240 nan 0.000 0.444 327 Q N 0.167 119.723 119.800 -0.407 0.000 2.084 327 Q HA -0.109 4.232 4.340 0.000 0.000 0.202 327 Q C 2.295 178.028 176.000 -0.446 0.000 0.978 327 Q CA 1.096 56.355 55.803 -0.908 0.000 0.844 327 Q CB -0.229 28.276 28.738 -0.389 0.000 0.898 327 Q HN 0.343 nan 8.270 nan 0.000 0.426 328 L N 0.704 121.801 121.223 -0.210 0.000 2.046 328 L HA -0.155 4.185 4.340 0.000 0.000 0.208 328 L C 2.048 178.831 176.870 -0.145 0.000 1.077 328 L CA 1.577 56.329 54.840 -0.147 0.000 0.747 328 L CB -0.676 41.318 42.059 -0.109 0.000 0.896 328 L HN 0.313 nan 8.230 nan 0.000 0.432 329 L N -1.790 119.332 121.223 -0.167 0.000 2.017 329 L HA -0.225 4.115 4.340 0.000 0.000 0.208 329 L C 2.426 179.320 176.870 0.040 0.000 1.073 329 L CA 1.156 55.930 54.840 -0.111 0.000 0.745 329 L CB -0.665 41.247 42.059 -0.245 0.000 0.894 329 L HN 0.096 nan 8.230 nan 0.000 0.432 330 V N -0.140 119.722 119.914 -0.086 0.000 2.407 330 V HA -0.261 3.859 4.120 0.000 0.000 0.248 330 V C 2.081 178.136 176.094 -0.066 0.000 1.055 330 V CA 1.941 64.209 62.300 -0.055 0.000 1.049 330 V CB -0.721 31.022 31.823 -0.133 0.000 0.662 330 V HN 0.486 nan 8.190 nan 0.000 0.455 331 N N -0.017 118.606 118.700 -0.128 0.000 2.453 331 N HA -0.098 4.643 4.740 0.000 0.000 0.183 331 N C 1.562 177.039 175.510 -0.055 0.000 1.041 331 N CA 1.123 54.122 53.050 -0.085 0.000 0.900 331 N CB -0.023 38.404 38.487 -0.099 0.000 0.961 331 N HN 0.380 nan 8.380 nan 0.000 0.443 332 S N -1.659 114.027 115.700 -0.023 0.000 2.540 332 S HA 0.329 4.799 4.470 0.000 0.000 0.218 332 S C 1.066 175.616 174.600 -0.084 0.000 0.977 332 S CA 0.273 58.461 58.200 -0.021 0.000 0.918 332 S CB 0.644 63.885 63.200 0.069 0.000 0.806 332 S HN 0.548 nan 8.310 nan 0.000 0.496 333 G N 1.020 109.779 108.800 -0.070 0.000 2.179 333 G HA2 -0.215 3.745 3.960 0.000 0.000 0.220 333 G HA3 -0.215 3.745 3.960 0.000 0.000 0.220 333 G C -0.071 174.701 174.900 -0.212 0.000 0.990 333 G CA -0.604 44.403 45.100 -0.155 0.000 0.646 333 G HN 0.409 nan 8.290 nan 0.000 0.517 334 F N 1.011 120.914 119.950 -0.078 0.000 2.371 334 F HA 0.544 5.071 4.527 0.000 0.000 0.329 334 F C 1.553 177.349 175.800 -0.007 0.000 1.107 334 F CA 0.990 58.958 58.000 -0.055 0.000 1.137 334 F CB 1.117 40.051 39.000 -0.108 0.000 1.214 334 F HN 0.806 nan 8.300 nan 0.000 0.536 335 G N 2.006 110.935 108.800 0.215 0.000 2.552 335 G HA2 -0.273 3.687 3.960 0.000 0.000 0.265 335 G HA3 -0.273 3.687 3.960 0.000 0.000 0.265 335 G C -0.861 174.104 174.900 0.109 0.000 1.234 335 G CA -0.190 45.007 45.100 0.161 0.000 0.944 335 G HN 0.807 nan 8.290 nan 0.000 0.568 336 Q N -1.090 118.779 119.800 0.115 0.000 2.323 336 Q HA 0.635 4.975 4.340 0.000 0.000 0.271 336 Q C -0.978 175.094 176.000 0.120 0.000 1.048 336 Q CA -0.981 54.871 55.803 0.081 0.000 0.792 336 Q CB 1.792 30.560 28.738 0.050 0.000 1.280 336 Q HN 0.822 nan 8.270 nan 0.000 0.441 337 L N 3.322 124.604 121.223 0.098 0.000 2.350 337 L HA 0.793 5.133 4.340 0.000 0.000 0.275 337 L C 0.286 177.225 176.870 0.115 0.000 1.099 337 L CA 1.660 56.585 54.840 0.142 0.000 0.808 337 L CB 1.153 43.272 42.059 0.100 0.000 1.149 337 L HN 0.826 nan 8.230 nan 0.000 0.442 338 G N 3.529 112.448 108.800 0.198 0.000 2.685 338 G HA2 -0.200 3.760 3.960 0.000 0.000 0.387 338 G HA3 -0.200 3.760 3.960 0.000 0.000 0.387 338 G C -0.566 174.182 174.900 -0.254 0.000 1.324 338 G CA -0.260 44.903 45.100 0.105 0.000 0.878 338 G HN 0.899 nan 8.290 nan 0.000 0.527 339 R N 0.779 120.915 120.500 -0.607 0.000 2.522 339 R HA 0.370 4.710 4.340 0.000 0.000 0.284 339 R C -1.854 173.986 176.300 -0.767 0.000 1.032 339 R CA -0.559 54.775 56.100 -1.277 0.000 1.049 339 R CB 0.027 29.864 30.300 -0.772 0.000 0.956 339 R HN 0.362 nan 8.270 nan 0.000 0.422 340 P HA -0.011 nan 4.420 nan 0.000 0.269 340 P C -1.317 175.820 177.300 -0.272 0.000 1.209 340 P CA 0.150 62.999 63.100 -0.419 0.000 0.776 340 P CB 0.458 31.947 31.700 -0.352 0.000 0.876 341 N N 2.664 121.264 118.700 -0.167 0.000 2.594 341 N HA 0.189 4.930 4.740 0.000 0.000 0.280 341 N C -2.322 173.144 175.510 -0.074 0.000 1.156 341 N CA -1.668 51.312 53.050 -0.116 0.000 0.831 341 N CB 1.481 39.905 38.487 -0.105 0.000 1.379 341 N HN 0.039 nan 8.380 nan 0.000 0.536 342 P HA 0.094 nan 4.420 nan 0.000 0.242 342 P C 0.778 178.061 177.300 -0.028 0.000 1.197 342 P CA 0.320 63.397 63.100 -0.038 0.000 0.765 342 P CB 0.253 31.933 31.700 -0.034 0.000 0.936 343 A N -0.644 122.156 122.820 -0.034 0.000 2.021 343 A HA -0.036 4.284 4.320 0.000 0.000 0.216 343 A C 1.420 178.992 177.584 -0.021 0.000 1.163 343 A CA 0.789 52.811 52.037 -0.025 0.000 0.676 343 A CB -0.479 18.504 19.000 -0.028 0.000 0.818 343 A HN 0.122 nan 8.150 nan 0.000 0.453 344 N N 0.887 119.572 118.700 -0.025 0.000 2.851 344 N HA 0.226 4.966 4.740 0.000 0.000 0.248 344 N C -3.162 172.341 175.510 -0.012 0.000 1.221 344 N CA -1.608 51.432 53.050 -0.017 0.000 0.847 344 N CB 1.002 39.478 38.487 -0.018 0.000 1.150 344 N HN 0.083 nan 8.380 nan 0.000 0.507 345 P HA 0.086 nan 4.420 nan 0.000 0.264 345 P C -2.536 174.773 177.300 0.014 0.000 1.183 345 P CA -0.559 62.546 63.100 0.008 0.000 0.763 345 P CB -0.124 31.584 31.700 0.013 0.000 0.807 346 P HA 0.105 nan 4.420 nan 0.000 0.274 346 P C 0.897 178.217 177.300 0.033 0.000 1.237 346 P CA -0.136 62.983 63.100 0.031 0.000 0.793 346 P CB 1.120 32.852 31.700 0.054 0.000 0.977 347 E N 0.676 120.888 120.200 0.020 0.000 2.072 347 E HA -0.066 4.284 4.350 0.000 0.000 0.191 347 E C 0.032 176.660 176.600 0.046 0.000 0.985 347 E CA 0.837 57.248 56.400 0.018 0.000 0.801 347 E CB 0.016 29.712 29.700 -0.007 0.000 0.750 347 E HN 0.379 nan 8.360 nan 0.000 0.452 348 L N 0.924 122.184 121.223 0.062 0.000 2.365 348 L HA 0.307 4.647 4.340 0.000 0.000 0.273 348 L C -0.167 176.825 176.870 0.204 0.000 1.000 348 L CA -0.862 54.060 54.840 0.136 0.000 0.819 348 L CB 1.890 43.997 42.059 0.079 0.000 1.284 348 L HN 0.149 nan 8.230 nan 0.000 0.418 349 L N 3.212 124.578 121.223 0.239 0.000 3.746 349 L HA -0.182 4.158 4.340 0.000 0.000 0.542 349 L C -1.462 175.518 176.870 0.183 0.000 1.268 349 L CA -0.506 54.474 54.840 0.233 0.000 0.818 349 L CB -0.946 41.271 42.059 0.264 0.000 1.472 349 L HN 0.590 nan 8.230 nan 0.000 0.843 350 P HA -0.136 nan 4.420 nan 0.000 0.221 350 P C 1.230 178.625 177.300 0.157 0.000 1.145 350 P CA 1.225 64.401 63.100 0.127 0.000 0.795 350 P CB 0.272 32.030 31.700 0.096 0.000 0.775 351 S N -0.546 115.267 115.700 0.188 0.000 2.603 351 S HA 0.049 4.519 4.470 0.000 0.000 0.220 351 S C 0.861 175.617 174.600 0.260 0.000 0.967 351 S CA -0.379 57.979 58.200 0.264 0.000 0.920 351 S CB -0.747 62.612 63.200 0.266 0.000 0.773 351 S HN 0.071 nan 8.310 nan 0.000 0.529 352 L N 2.513 123.866 121.223 0.216 0.000 2.534 352 L HA 0.389 4.729 4.340 0.000 0.000 0.271 352 L C 1.155 178.160 176.870 0.226 0.000 1.178 352 L CA 1.055 56.023 54.840 0.214 0.000 0.907 352 L CB -0.446 41.726 42.059 0.188 0.000 1.164 352 L HN 0.342 nan 8.230 nan 0.000 0.482 353 G N 2.421 111.363 108.800 0.237 0.000 2.148 353 G HA2 -0.271 3.689 3.960 0.000 0.000 0.254 353 G HA3 -0.271 3.689 3.960 0.000 0.000 0.254 353 G C 0.421 175.437 174.900 0.194 0.000 0.981 353 G CA 0.384 45.621 45.100 0.228 0.000 0.670 353 G HN 0.812 nan 8.290 nan 0.000 0.528 354 S N -1.532 114.286 115.700 0.198 0.000 2.718 354 S HA 0.649 5.119 4.470 0.000 0.000 0.300 354 S C 0.463 175.191 174.600 0.213 0.000 1.117 354 S CA 0.102 58.353 58.200 0.085 0.000 1.002 354 S CB 0.823 63.977 63.200 -0.076 0.000 1.092 354 S HN 0.923 nan 8.310 nan 0.000 0.542 355 Y N -1.050 119.316 120.300 0.111 0.000 4.177 355 Y HA -0.207 4.343 4.550 0.000 0.000 0.227 355 Y C 0.553 176.531 175.900 0.130 0.000 1.154 355 Y CA 0.200 58.363 58.100 0.105 0.000 1.887 355 Y CB -2.226 36.291 38.460 0.095 0.000 1.594 355 Y HN 0.613 nan 8.280 nan 0.000 0.668 356 I N 0.127 120.840 120.570 0.239 0.000 2.754 356 I HA 0.442 4.612 4.170 0.000 0.000 0.285 356 I C 0.659 176.936 176.117 0.266 0.000 1.166 356 I CA 0.535 61.977 61.300 0.236 0.000 1.417 356 I CB 1.224 39.362 38.000 0.230 0.000 1.382 356 I HN 0.214 nan 8.210 nan 0.000 0.588 357 T N 1.888 116.559 114.554 0.196 0.000 2.893 357 T HA 0.695 5.045 4.350 0.000 0.000 0.293 357 T C -0.705 174.017 174.700 0.038 0.000 1.027 357 T CA -0.699 61.505 62.100 0.173 0.000 0.988 357 T CB 2.169 71.085 68.868 0.081 0.000 1.043 357 T HN 0.831 nan 8.240 nan 0.000 0.461 358 E N 0.951 121.153 120.200 0.004 0.000 2.356 358 E HA 0.371 4.721 4.350 0.000 0.000 0.275 358 E C -1.274 175.432 176.600 0.176 0.000 0.904 358 E CA -0.556 55.809 56.400 -0.058 0.000 0.757 358 E CB 2.145 31.596 29.700 -0.416 0.000 1.232 358 E HN 0.720 nan 8.360 nan 0.000 0.442 359 Q N 1.061 120.990 119.800 0.216 0.000 2.259 359 Q HA 0.491 4.831 4.340 0.000 0.000 0.249 359 Q C -0.458 175.765 176.000 0.373 0.000 0.914 359 Q CA -0.543 55.447 55.803 0.312 0.000 0.904 359 Q CB 1.416 30.378 28.738 0.372 0.000 1.213 359 Q HN 0.460 nan 8.270 nan 0.000 0.428 360 S N 1.643 117.511 115.700 0.280 0.000 2.562 360 S HA 0.290 4.760 4.470 0.000 0.000 0.281 360 S C -0.650 174.025 174.600 0.125 0.000 1.333 360 S CA -0.380 57.858 58.200 0.063 0.000 1.052 360 S CB 0.325 63.457 63.200 -0.113 0.000 0.884 360 S HN 0.394 nan 8.310 nan 0.000 0.506 361 L N 4.380 125.644 121.223 0.068 0.000 2.438 361 L HA 0.702 5.042 4.340 0.000 0.000 0.270 361 L C -0.857 175.898 176.870 -0.192 0.000 0.972 361 L CA -0.650 54.124 54.840 -0.109 0.000 0.831 361 L CB 1.669 43.645 42.059 -0.139 0.000 1.273 361 L HN 0.469 nan 8.230 nan 0.000 0.405 362 V N 2.020 121.728 119.914 -0.343 0.000 2.667 362 V HA 0.755 4.876 4.120 0.000 0.000 0.308 362 V C -0.941 175.013 176.094 -0.233 0.000 1.048 362 V CA -0.640 61.380 62.300 -0.467 0.000 0.928 362 V CB 1.610 32.959 31.823 -0.790 0.000 1.004 362 V HN 0.817 nan 8.190 nan 0.000 0.444 363 F N 4.719 124.464 119.950 -0.342 0.000 2.601 363 F HA 0.881 5.408 4.527 0.000 0.000 0.309 363 F C -0.393 175.281 175.800 -0.210 0.000 1.089 363 F CA -0.235 57.643 58.000 -0.203 0.000 0.940 363 F CB 1.616 40.540 39.000 -0.128 0.000 1.273 363 F HN 1.204 nan 8.300 nan 0.000 0.450 364 C N 2.705 121.312 119.300 -1.155 0.000 3.321 364 C HA 0.778 5.238 4.460 0.000 0.000 0.329 364 C C -1.737 172.682 174.990 -0.950 0.000 1.394 364 C CA -0.707 57.652 59.018 -1.099 0.000 1.291 364 C CB 1.648 29.013 27.740 -0.624 0.000 1.606 364 C HN 0.975 nan 8.230 nan 0.000 0.463 365 Q N 0.670 120.152 119.800 -0.529 0.000 2.387 365 Q HA 0.768 5.108 4.340 0.000 0.000 0.273 365 Q C -0.415 175.609 176.000 0.040 0.000 1.089 365 Q CA -0.233 55.488 55.803 -0.137 0.000 0.824 365 Q CB 2.719 31.366 28.738 -0.151 0.000 1.367 365 Q HN 0.939 nan 8.270 nan 0.000 0.443 366 T N -2.542 112.113 114.554 0.169 0.000 2.930 366 T HA 0.710 5.060 4.350 0.000 0.000 0.290 366 T C -0.532 174.220 174.700 0.086 0.000 1.052 366 T CA -0.727 61.438 62.100 0.109 0.000 1.017 366 T CB 1.254 70.198 68.868 0.125 0.000 1.137 366 T HN 0.260 nan 8.240 nan 0.000 0.511 367 V N 2.405 122.338 119.914 0.031 0.000 2.378 367 V HA 0.407 4.527 4.120 0.000 0.000 0.288 367 V C 0.214 176.313 176.094 0.009 0.000 1.016 367 V CA -0.903 61.408 62.300 0.017 0.000 0.840 367 V CB 1.170 32.993 31.823 0.001 0.000 0.994 367 V HN 1.012 nan 8.190 nan 0.000 0.431 368 M N 4.658 124.272 119.600 0.023 0.000 2.245 368 M HA 0.114 4.594 4.480 0.000 0.000 0.335 368 M C 0.882 177.184 176.300 0.003 0.000 1.155 368 M CA 0.711 56.026 55.300 0.025 0.000 1.055 368 M CB 0.676 33.291 32.600 0.024 0.000 1.670 368 M HN 0.917 nan 8.290 nan 0.000 0.447 369 S N 2.346 118.046 115.700 -0.001 0.000 2.579 369 S HA 0.094 4.564 4.470 0.000 0.000 0.275 369 S C 1.001 175.600 174.600 -0.003 0.000 1.345 369 S CA -0.160 58.032 58.200 -0.014 0.000 1.031 369 S CB 0.519 63.705 63.200 -0.023 0.000 0.892 369 S HN 0.802 nan 8.310 nan 0.000 0.529 370 T N 1.926 116.476 114.554 -0.008 0.000 2.699 370 T HA -0.159 4.191 4.350 0.000 0.000 0.268 370 T C 1.633 176.338 174.700 0.008 0.000 1.036 370 T CA 1.957 64.058 62.100 0.000 0.000 1.147 370 T CB -0.524 68.342 68.868 -0.004 0.000 0.862 370 T HN 0.768 nan 8.240 nan 0.000 0.446 371 E N 0.619 120.820 120.200 0.002 0.000 2.058 371 E HA -0.106 4.244 4.350 0.000 0.000 0.194 371 E C 2.295 178.910 176.600 0.025 0.000 0.997 371 E CA 1.029 57.434 56.400 0.008 0.000 0.801 371 E CB -0.327 29.370 29.700 -0.004 0.000 0.746 371 E HN 0.436 nan 8.360 nan 0.000 0.450 372 L N 0.727 121.967 121.223 0.029 0.000 2.017 372 L HA -0.206 4.134 4.340 0.000 0.000 0.208 372 L C 2.482 179.392 176.870 0.067 0.000 1.073 372 L CA 0.548 55.421 54.840 0.054 0.000 0.745 372 L CB -0.353 41.739 42.059 0.055 0.000 0.894 372 L HN 0.194 nan 8.230 nan 0.000 0.432 373 I N 0.091 120.687 120.570 0.043 0.000 2.163 373 I HA -0.311 3.859 4.170 0.000 0.000 0.243 373 I C 2.224 178.372 176.117 0.052 0.000 1.085 373 I CA 1.606 62.928 61.300 0.037 0.000 1.347 373 I CB -1.205 36.806 38.000 0.018 0.000 1.044 373 I HN 0.294 nan 8.210 nan 0.000 0.408 374 D N 0.728 121.156 120.400 0.047 0.000 2.149 374 D HA -0.148 4.492 4.640 0.000 0.000 0.198 374 D C 2.357 178.704 176.300 0.079 0.000 0.990 374 D CA 1.748 55.780 54.000 0.053 0.000 0.839 374 D CB -0.163 40.658 40.800 0.037 0.000 0.948 374 D HN 0.405 nan 8.370 nan 0.000 0.460 375 S N -0.093 115.664 115.700 0.094 0.000 2.442 375 S HA -0.105 4.365 4.470 0.000 0.000 0.236 375 S C 2.160 176.906 174.600 0.243 0.000 1.007 375 S CA 0.660 58.944 58.200 0.141 0.000 0.965 375 S CB -0.496 62.780 63.200 0.127 0.000 0.773 375 S HN 0.087 nan 8.310 nan 0.000 0.504 376 V N 2.993 123.034 119.914 0.212 0.000 2.392 376 V HA -0.173 3.947 4.120 0.000 0.000 0.249 376 V C 2.223 178.461 176.094 0.239 0.000 1.059 376 V CA 2.157 64.619 62.300 0.270 0.000 1.051 376 V CB -0.809 31.084 31.823 0.116 0.000 0.658 376 V HN 0.824 nan 8.190 nan 0.000 0.455 377 K N 0.485 120.976 120.400 0.152 0.000 2.493 377 K HA 0.171 4.491 4.320 0.000 0.000 0.207 377 K C 1.629 178.289 176.600 0.099 0.000 1.033 377 K CA 0.675 57.032 56.287 0.117 0.000 1.161 377 K CB 0.149 32.701 32.500 0.088 0.000 0.873 377 K HN 0.417 nan 8.250 nan 0.000 0.491 378 S N 0.938 116.710 115.700 0.119 0.000 2.400 378 S HA -0.188 4.282 4.470 0.000 0.000 0.232 378 S C 0.998 175.616 174.600 0.030 0.000 1.025 378 S CA 1.412 59.648 58.200 0.060 0.000 0.993 378 S CB -0.264 62.953 63.200 0.029 0.000 0.808 378 S HN 0.352 nan 8.310 nan 0.000 0.478 379 D N 0.718 121.144 120.400 0.044 0.000 2.339 379 D HA 0.238 4.878 4.640 0.000 0.000 0.217 379 D C 0.123 176.464 176.300 0.068 0.000 1.050 379 D CA 0.231 54.246 54.000 0.024 0.000 0.856 379 D CB -0.007 40.787 40.800 -0.010 0.000 0.922 379 D HN 0.386 nan 8.370 nan 0.000 0.518 380 M N 0.606 120.246 119.600 0.067 0.000 2.216 380 M HA 0.210 4.690 4.480 0.000 0.000 0.356 380 M C 0.203 176.532 176.300 0.048 0.000 1.205 380 M CA 0.097 55.444 55.300 0.078 0.000 1.122 380 M CB 1.049 33.687 32.600 0.064 0.000 1.571 380 M HN -0.317 nan 8.290 nan 0.000 0.464 381 T N 4.717 119.294 114.554 0.037 0.000 2.749 381 T HA 0.670 5.020 4.350 0.000 0.000 0.287 381 T C 0.078 174.757 174.700 -0.034 0.000 0.970 381 T CA -0.335 61.767 62.100 0.003 0.000 0.980 381 T CB 0.537 69.401 68.868 -0.006 0.000 0.924 381 T HN 0.440 nan 8.240 nan 0.000 0.456 382 I N 4.740 125.288 120.570 -0.036 0.000 2.406 382 I HA 0.587 4.757 4.170 0.000 0.000 0.290 382 I C 0.202 176.288 176.117 -0.052 0.000 0.999 382 I CA -0.858 60.393 61.300 -0.082 0.000 1.124 382 I CB 1.365 39.360 38.000 -0.008 0.000 1.289 382 I HN 0.604 nan 8.210 nan 0.000 0.441 383 R N 4.208 124.648 120.500 -0.101 0.000 2.781 383 R HA 0.932 5.272 4.340 0.000 0.000 0.269 383 R C -0.237 176.079 176.300 0.027 0.000 1.025 383 R CA -0.740 55.352 56.100 -0.015 0.000 0.914 383 R CB 1.620 31.909 30.300 -0.019 0.000 1.236 383 R HN 0.778 nan 8.270 nan 0.000 0.465 384 G N 0.013 108.874 108.800 0.101 0.000 2.728 384 G HA2 -0.101 3.859 3.960 0.000 0.000 0.294 384 G HA3 -0.101 3.859 3.960 0.000 0.000 0.294 384 G C -1.054 174.005 174.900 0.265 0.000 1.342 384 G CA -0.234 44.966 45.100 0.167 0.000 0.866 384 G HN 0.684 nan 8.290 nan 0.000 0.534 385 T N 2.852 117.527 114.554 0.202 0.000 2.824 385 T HA 0.667 5.017 4.350 0.000 0.000 0.282 385 T C -2.415 172.213 174.700 -0.120 0.000 0.993 385 T CA -0.659 61.484 62.100 0.072 0.000 0.967 385 T CB 1.857 70.737 68.868 0.021 0.000 0.960 385 T HN 0.486 nan 8.240 nan 0.000 0.441 386 P HA 0.178 nan 4.420 nan 0.000 0.264 386 P C 1.004 178.077 177.300 -0.380 0.000 1.183 386 P CA 1.038 63.584 63.100 -0.925 0.000 0.763 386 P CB 0.348 31.601 31.700 -0.745 0.000 0.807 387 G N 1.019 109.651 108.800 -0.279 0.000 2.253 387 G HA2 -0.196 3.764 3.960 0.000 0.000 0.251 387 G HA3 -0.196 3.764 3.960 0.000 0.000 0.251 387 G C 0.248 175.122 174.900 -0.043 0.000 0.998 387 G CA -0.147 44.886 45.100 -0.112 0.000 0.621 387 G HN 0.516 nan 8.290 nan 0.000 0.524 388 E N -0.367 119.819 120.200 -0.023 0.000 2.254 388 E HA 0.617 4.967 4.350 0.000 0.000 0.261 388 E C 1.501 178.137 176.600 0.060 0.000 1.051 388 E CA -0.735 55.676 56.400 0.019 0.000 0.902 388 E CB 0.760 30.473 29.700 0.022 0.000 1.168 388 E HN 0.186 nan 8.360 nan 0.000 0.423 389 L N 0.618 121.871 121.223 0.050 0.000 2.591 389 L HA -0.022 4.318 4.340 0.000 0.000 0.228 389 L C 1.923 178.830 176.870 0.063 0.000 1.133 389 L CA 0.616 55.490 54.840 0.055 0.000 0.880 389 L CB -0.368 41.710 42.059 0.032 0.000 1.033 389 L HN 0.542 nan 8.230 nan 0.000 0.450 390 T N -3.701 110.896 114.554 0.072 0.000 3.035 390 T HA -0.191 4.159 4.350 0.000 0.000 0.268 390 T C 0.731 175.497 174.700 0.110 0.000 1.109 390 T CA 0.137 62.279 62.100 0.071 0.000 1.119 390 T CB -0.408 68.499 68.868 0.065 0.000 0.900 390 T HN 0.118 nan 8.240 nan 0.000 0.503 391 Y N 2.776 123.074 120.300 -0.003 0.000 2.544 391 Y HA 0.418 4.968 4.550 0.000 0.000 0.330 391 Y C 0.231 176.130 175.900 -0.002 0.000 1.136 391 Y CA -0.773 57.326 58.100 -0.002 0.000 1.417 391 Y CB 0.287 38.744 38.460 -0.005 0.000 1.229 391 Y HN 0.193 nan 8.280 nan 0.000 0.532 392 S N 5.281 120.723 115.700 -0.429 0.000 2.571 392 S HA 0.735 5.205 4.470 0.000 0.000 0.284 392 S C -1.921 172.380 174.600 -0.499 0.000 1.128 392 S CA -0.690 57.295 58.200 -0.358 0.000 0.970 392 S CB 0.749 63.849 63.200 -0.166 0.000 1.039 392 S HN 0.435 nan 8.310 nan 0.000 0.485 393 V N 4.713 124.411 119.914 -0.360 0.000 2.444 393 V HA 0.742 4.862 4.120 0.000 0.000 0.294 393 V C -0.005 176.051 176.094 -0.063 0.000 1.022 393 V CA -0.466 61.705 62.300 -0.215 0.000 0.850 393 V CB 1.341 33.068 31.823 -0.160 0.000 0.992 393 V HN 1.038 nan 8.190 nan 0.000 0.426 394 T N 1.731 116.277 114.554 -0.014 0.000 2.883 394 T HA 0.862 5.212 4.350 0.000 0.000 0.301 394 T C -1.029 173.742 174.700 0.119 0.000 1.158 394 T CA -0.766 61.348 62.100 0.024 0.000 1.007 394 T CB 2.317 71.154 68.868 -0.052 0.000 1.186 394 T HN 0.817 nan 8.240 nan 0.000 0.499 395 Y N -1.641 118.647 120.300 -0.020 0.000 2.677 395 Y HA 0.806 5.356 4.550 0.000 0.000 0.334 395 Y C -0.997 174.894 175.900 -0.015 0.000 1.154 395 Y CA -1.323 56.769 58.100 -0.015 0.000 1.070 395 Y CB 0.948 39.407 38.460 -0.002 0.000 1.294 395 Y HN 0.645 nan 8.280 nan 0.000 0.475 396 T N 3.865 118.394 114.554 -0.042 0.000 2.821 396 T HA 0.411 4.761 4.350 0.000 0.000 0.307 396 T C -2.853 171.844 174.700 -0.006 0.000 1.034 396 T CA -1.385 60.647 62.100 -0.113 0.000 0.953 396 T CB 0.763 69.609 68.868 -0.037 0.000 0.968 396 T HN 0.358 nan 8.240 nan 0.000 0.462 397 P HA 0.176 nan 4.420 nan 0.000 0.266 397 P C 1.245 178.582 177.300 0.062 0.000 1.195 397 P CA 0.688 63.839 63.100 0.085 0.000 0.768 397 P CB 0.321 32.026 31.700 0.009 0.000 0.838 398 G N 1.608 110.457 108.800 0.081 0.000 2.205 398 G HA2 -0.311 3.649 3.960 0.000 0.000 0.269 398 G HA3 -0.311 3.649 3.960 0.000 0.000 0.269 398 G C 0.545 175.455 174.900 0.016 0.000 0.977 398 G CA 0.319 45.441 45.100 0.038 0.000 0.652 398 G HN 0.900 nan 8.290 nan 0.000 0.539 399 A N 0.520 123.352 122.820 0.020 0.000 2.546 399 A HA 0.566 4.886 4.320 0.000 0.000 0.243 399 A C 1.748 179.322 177.584 -0.017 0.000 1.063 399 A CA 1.282 53.319 52.037 0.001 0.000 0.757 399 A CB 0.200 19.203 19.000 0.005 0.000 0.991 399 A HN 1.669 nan 8.150 nan 0.000 0.503 400 S N 1.575 117.261 115.700 -0.024 0.000 2.447 400 S HA -0.147 4.323 4.470 0.000 0.000 0.233 400 S C 1.444 176.013 174.600 -0.052 0.000 1.006 400 S CA 1.413 59.592 58.200 -0.035 0.000 0.957 400 S CB -0.842 62.341 63.200 -0.028 0.000 0.773 400 S HN 1.186 nan 8.310 nan 0.000 0.507 401 T N -0.603 113.922 114.554 -0.049 0.000 3.160 401 T HA 0.147 4.497 4.350 0.000 0.000 0.257 401 T C 0.380 175.025 174.700 -0.092 0.000 1.147 401 T CA -0.284 61.778 62.100 -0.063 0.000 1.064 401 T CB -0.630 68.211 68.868 -0.046 0.000 0.949 401 T HN 0.190 nan 8.240 nan 0.000 0.526 402 N N 2.205 120.847 118.700 -0.096 0.000 2.497 402 N HA 0.208 4.948 4.740 0.000 0.000 0.268 402 N C 0.928 176.285 175.510 -0.256 0.000 1.171 402 N CA -0.333 52.630 53.050 -0.144 0.000 0.948 402 N CB 1.125 39.553 38.487 -0.099 0.000 1.069 402 N HN 0.153 nan 8.380 nan 0.000 0.460 403 K N 1.155 121.305 120.400 -0.416 0.000 2.400 403 K HA 0.053 4.373 4.320 0.000 0.000 0.194 403 K C -0.066 175.933 176.600 -1.002 0.000 1.033 403 K CA 0.699 56.582 56.287 -0.674 0.000 1.021 403 K CB 0.145 32.159 32.500 -0.811 0.000 0.808 403 K HN 0.561 nan 8.250 nan 0.000 0.505 404 H N 0.001 118.756 119.070 -0.525 0.000 2.747 404 H HA 0.332 4.888 4.556 0.000 0.000 0.371 404 H C -2.417 172.580 175.328 -0.552 0.000 1.161 404 H CA -2.501 53.076 56.048 -0.786 0.000 1.167 404 H CB 1.571 30.467 29.762 -1.443 0.000 1.732 404 H HN -0.165 nan 8.280 nan 0.000 0.544 405 P HA 0.023 nan 4.420 nan 0.000 0.272 405 P C 0.344 177.416 177.300 -0.379 0.000 1.230 405 P CA -0.202 62.676 63.100 -0.369 0.000 0.788 405 P CB 1.232 32.678 31.700 -0.423 0.000 0.949 406 D N 0.526 120.846 120.400 -0.134 0.000 2.123 406 D HA -0.159 4.481 4.640 0.000 0.000 0.196 406 D C 1.899 178.196 176.300 -0.005 0.000 0.992 406 D CA 1.341 55.344 54.000 0.005 0.000 0.833 406 D CB -0.579 40.323 40.800 0.169 0.000 0.954 406 D HN 0.611 nan 8.370 nan 0.000 0.455 407 W N 0.296 121.665 121.300 0.116 0.000 2.342 407 W HA -0.177 4.483 4.660 0.000 0.000 0.297 407 W C 1.964 178.553 176.519 0.118 0.000 1.213 407 W CA 0.362 57.770 57.345 0.106 0.000 1.251 407 W CB -1.384 28.134 29.460 0.095 0.000 1.136 407 W HN 0.096 nan 8.180 nan 0.000 0.526 408 W N 3.417 124.240 121.300 -0.795 0.000 2.379 408 W HA -0.159 4.501 4.660 0.000 0.000 0.307 408 W C 1.923 178.172 176.519 -0.451 0.000 1.200 408 W CA 1.738 58.634 57.345 -0.749 0.000 1.297 408 W CB -1.028 27.725 29.460 -1.177 0.000 1.140 408 W HN -0.106 nan 8.180 nan 0.000 0.507 409 N N 1.000 119.617 118.700 -0.139 0.000 2.166 409 N HA -0.202 4.538 4.740 0.000 0.000 0.186 409 N C 1.513 176.721 175.510 -0.504 0.000 1.019 409 N CA 1.931 54.701 53.050 -0.466 0.000 0.856 409 N CB -0.725 37.107 38.487 -1.092 0.000 0.993 409 N HN 0.207 nan 8.380 nan 0.000 0.426 410 E N 1.565 121.608 120.200 -0.262 0.000 2.085 410 E HA -0.117 4.233 4.350 0.000 0.000 0.194 410 E C 1.618 178.259 176.600 0.068 0.000 0.994 410 E CA 1.421 57.863 56.400 0.071 0.000 0.801 410 E CB 0.035 29.847 29.700 0.186 0.000 0.743 410 E HN 0.270 nan 8.360 nan 0.000 0.453 411 K N -0.471 119.955 120.400 0.043 0.000 2.057 411 K HA -0.077 4.243 4.320 0.000 0.000 0.206 411 K C 2.156 178.758 176.600 0.004 0.000 1.050 411 K CA 1.358 57.666 56.287 0.034 0.000 0.935 411 K CB -0.138 32.373 32.500 0.019 0.000 0.715 411 K HN 0.053 nan 8.250 nan 0.000 0.439 412 V N 1.903 121.785 119.914 -0.054 0.000 2.295 412 V HA -0.262 3.858 4.120 0.000 0.000 0.246 412 V C 2.385 178.517 176.094 0.064 0.000 1.049 412 V CA 1.700 63.989 62.300 -0.019 0.000 1.024 412 V CB -0.416 31.388 31.823 -0.031 0.000 0.648 412 V HN 0.338 nan 8.190 nan 0.000 0.447 413 K N 0.256 120.687 120.400 0.051 0.000 2.009 413 K HA -0.240 4.080 4.320 0.000 0.000 0.210 413 K C 2.070 178.726 176.600 0.094 0.000 1.049 413 K CA 2.025 58.372 56.287 0.101 0.000 0.929 413 K CB -0.199 32.423 32.500 0.204 0.000 0.714 413 K HN 0.428 nan 8.250 nan 0.000 0.440 414 N N 0.095 118.856 118.700 0.102 0.000 2.142 414 N HA -0.177 4.564 4.740 0.000 0.000 0.186 414 N C 1.740 177.305 175.510 0.091 0.000 1.023 414 N CA 1.348 54.451 53.050 0.088 0.000 0.852 414 N CB -0.581 37.965 38.487 0.099 0.000 0.998 414 N HN 0.403 nan 8.380 nan 0.000 0.424 415 H N 0.737 119.831 119.070 0.040 0.000 2.319 415 H HA 0.074 4.630 4.556 0.000 0.000 0.299 415 H C 2.046 177.415 175.328 0.069 0.000 1.092 415 H CA 1.817 57.895 56.048 0.050 0.000 1.302 415 H CB -0.124 29.583 29.762 -0.092 0.000 1.373 415 H HN 0.099 nan 8.280 nan 0.000 0.497 416 M N -1.133 118.454 119.600 -0.022 0.000 2.229 416 M HA -0.098 4.382 4.480 0.000 0.000 0.264 416 M C 2.216 178.556 176.300 0.066 0.000 1.063 416 M CA 1.441 56.741 55.300 0.001 0.000 1.114 416 M CB -0.039 32.635 32.600 0.124 0.000 1.387 416 M HN 0.367 nan 8.290 nan 0.000 0.420 417 M N 0.382 120.004 119.600 0.038 0.000 2.193 417 M HA -0.128 4.352 4.480 0.000 0.000 0.265 417 M C 1.839 178.122 176.300 -0.029 0.000 1.071 417 M CA 1.915 57.246 55.300 0.052 0.000 1.140 417 M CB -0.067 32.542 32.600 0.015 0.000 1.369 417 M HN 0.137 nan 8.290 nan 0.000 0.423 418 Q N -1.257 118.450 119.800 -0.156 0.000 2.389 418 Q HA 0.004 4.344 4.340 0.000 0.000 0.204 418 Q C -0.129 175.459 176.000 -0.687 0.000 0.944 418 Q CA 0.659 56.241 55.803 -0.368 0.000 0.908 418 Q CB 0.282 28.784 28.738 -0.393 0.000 1.002 418 Q HN 0.520 nan 8.270 nan 0.000 0.493 419 H N 0.108 119.099 119.070 -0.133 0.000 2.379 419 H HA 0.192 4.748 4.556 0.000 0.000 0.229 419 H C 0.077 175.317 175.328 -0.145 0.000 1.423 419 H CA -0.103 55.867 56.048 -0.131 0.000 1.375 419 H CB 0.498 30.124 29.762 -0.228 0.000 1.592 419 H HN 0.252 nan 8.280 nan 0.000 0.507 420 Q N 0.645 120.421 119.800 -0.039 0.000 2.364 420 Q HA -0.119 4.221 4.340 0.000 0.000 0.207 420 Q C 1.901 177.843 176.000 -0.097 0.000 0.970 420 Q CA 0.978 56.720 55.803 -0.102 0.000 0.888 420 Q CB 0.401 29.036 28.738 -0.171 0.000 0.951 420 Q HN 0.508 nan 8.270 nan 0.000 0.469 421 E N 1.372 121.563 120.200 -0.014 0.000 2.347 421 E HA -0.126 4.224 4.350 0.000 0.000 0.196 421 E C -0.321 176.309 176.600 0.050 0.000 1.008 421 E CA 0.625 57.032 56.400 0.012 0.000 0.852 421 E CB -0.040 29.689 29.700 0.047 0.000 0.783 421 E HN 0.192 nan 8.360 nan 0.000 0.505 422 D N 1.814 122.262 120.400 0.079 0.000 2.225 422 D HA 0.126 4.766 4.640 0.000 0.000 0.248 422 D C -1.618 174.736 176.300 0.089 0.000 1.096 422 D CA -2.081 51.997 54.000 0.130 0.000 0.863 422 D CB 1.598 42.519 40.800 0.201 0.000 1.156 422 D HN -0.158 nan 8.370 nan 0.000 0.450 423 P HA 0.117 nan 4.420 nan 0.000 0.255 423 P C -0.223 177.118 177.300 0.069 0.000 1.248 423 P CA 0.165 63.302 63.100 0.061 0.000 0.807 423 P CB 0.388 32.116 31.700 0.046 0.000 1.150 424 L N 1.618 122.893 121.223 0.087 0.000 2.334 424 L HA 0.387 4.727 4.340 0.000 0.000 0.272 424 L C -1.370 175.534 176.870 0.057 0.000 1.020 424 L CA -2.270 52.595 54.840 0.042 0.000 0.812 424 L CB 2.379 44.431 42.059 -0.011 0.000 1.264 424 L HN -0.300 nan 8.230 nan 0.000 0.439 425 P HA 0.096 nan 4.420 nan 0.000 0.251 425 P C 0.225 177.393 177.300 -0.221 0.000 1.223 425 P CA 0.493 63.594 63.100 0.003 0.000 0.796 425 P CB 0.481 32.190 31.700 0.015 0.000 1.068 426 I N 2.368 122.714 120.570 -0.373 0.000 2.416 426 I HA 0.203 4.373 4.170 0.000 0.000 0.288 426 I C -2.128 173.498 176.117 -0.819 0.000 1.051 426 I CA -2.643 58.378 61.300 -0.465 0.000 1.375 426 I CB 0.598 38.419 38.000 -0.298 0.000 1.407 426 I HN -0.228 nan 8.210 nan 0.000 0.516 427 P HA -0.002 nan 4.420 nan 0.000 0.267 427 P C 0.316 177.374 177.300 -0.405 0.000 1.200 427 P CA 0.009 62.733 63.100 -0.626 0.000 0.772 427 P CB 0.364 31.931 31.700 -0.222 0.000 0.855 428 F N 0.752 120.590 119.950 -0.186 0.000 2.161 428 F HA -0.129 4.399 4.527 0.000 0.000 0.300 428 F C 1.700 177.457 175.800 -0.071 0.000 1.089 428 F CA 1.605 59.537 58.000 -0.113 0.000 1.282 428 F CB -0.939 38.008 39.000 -0.088 0.000 1.010 428 F HN 0.410 nan 8.300 nan 0.000 0.485 429 E N -0.363 119.924 120.200 0.145 0.000 2.419 429 E HA -0.004 4.346 4.350 0.000 0.000 0.190 429 E C -0.222 176.397 176.600 0.031 0.000 1.040 429 E CA -0.245 56.204 56.400 0.082 0.000 0.900 429 E CB -0.245 29.503 29.700 0.080 0.000 1.054 429 E HN 0.166 nan 8.360 nan 0.000 0.462 430 D N 2.635 123.031 120.400 -0.007 0.000 2.472 430 D HA 0.004 4.644 4.640 0.000 0.000 0.248 430 D C -2.243 174.069 176.300 0.019 0.000 1.174 430 D CA -1.429 52.553 54.000 -0.030 0.000 0.883 430 D CB 0.724 41.466 40.800 -0.096 0.000 1.149 430 D HN -0.111 nan 8.370 nan 0.000 0.488 431 P HA 0.043 nan 4.420 nan 0.000 0.270 431 P C -0.336 177.074 177.300 0.183 0.000 1.223 431 P CA -0.274 62.909 63.100 0.139 0.000 0.785 431 P CB 0.336 32.111 31.700 0.126 0.000 0.923 432 E N 2.067 122.398 120.200 0.219 0.000 2.392 432 E HA 0.178 4.528 4.350 0.000 0.000 0.259 432 E C -2.459 174.190 176.600 0.082 0.000 1.108 432 E CA -1.904 54.559 56.400 0.104 0.000 0.916 432 E CB -0.910 28.813 29.700 0.038 0.000 0.989 432 E HN 0.232 nan 8.360 nan 0.000 0.432 433 P HA 0.086 nan 4.420 nan 0.000 0.272 433 P C -0.491 176.829 177.300 0.034 0.000 1.223 433 P CA -0.057 63.123 63.100 0.133 0.000 0.784 433 P CB 0.438 32.161 31.700 0.039 0.000 0.923 434 Q N 0.859 120.772 119.800 0.188 0.000 3.394 434 Q HA 0.304 4.644 4.340 0.000 0.000 0.285 434 Q C -1.066 175.029 176.000 0.159 0.000 0.866 434 Q CA -0.285 55.500 55.803 -0.029 0.000 0.844 434 Q CB 1.136 29.617 28.738 -0.428 0.000 1.472 434 Q HN 0.178 nan 8.270 nan 0.000 0.401 435 V N 0.531 120.490 119.914 0.076 0.000 2.581 435 V HA 0.720 4.840 4.120 0.000 0.000 0.303 435 V C 0.164 176.268 176.094 0.016 0.000 1.041 435 V CA -0.371 61.967 62.300 0.064 0.000 0.907 435 V CB 2.064 33.865 31.823 -0.036 0.000 0.994 435 V HN 0.419 nan 8.190 nan 0.000 0.442 436 T N 1.727 116.324 114.554 0.072 0.000 2.900 436 T HA 0.518 4.868 4.350 0.000 0.000 0.303 436 T C -0.935 173.716 174.700 -0.082 0.000 1.142 436 T CA -0.329 61.760 62.100 -0.019 0.000 1.007 436 T CB 1.895 70.737 68.868 -0.044 0.000 1.156 436 T HN 0.826 nan 8.240 nan 0.000 0.490 437 T N 4.314 118.667 114.554 -0.334 0.000 2.809 437 T HA 0.588 4.938 4.350 0.000 0.000 0.296 437 T C -0.106 174.457 174.700 -0.229 0.000 1.015 437 T CA -0.614 61.135 62.100 -0.586 0.000 0.954 437 T CB -0.162 67.916 68.868 -1.316 0.000 0.950 437 T HN 0.524 nan 8.240 nan 0.000 0.450 438 L N 4.293 125.463 121.223 -0.089 0.000 2.467 438 L HA 0.349 4.689 4.340 0.000 0.000 0.270 438 L C 0.795 177.686 176.870 0.035 0.000 1.205 438 L CA -0.816 54.059 54.840 0.059 0.000 0.828 438 L CB 0.145 42.232 42.059 0.048 0.000 1.101 438 L HN 0.619 nan 8.230 nan 0.000 0.479 439 F N 2.773 122.666 119.950 -0.095 0.000 2.604 439 F HA -0.090 4.437 4.527 0.000 0.000 0.390 439 F C 0.358 175.907 175.800 -0.418 0.000 1.053 439 F CA 0.616 58.463 58.000 -0.254 0.000 1.256 439 F CB 0.099 39.001 39.000 -0.163 0.000 0.996 439 F HN 0.389 nan 8.300 nan 0.000 0.564 440 Q N 6.599 125.905 119.800 -0.823 0.000 2.495 440 Q HA 0.271 4.611 4.340 0.000 0.000 0.287 440 Q C -2.017 173.547 176.000 -0.727 0.000 1.078 440 Q CA -1.798 53.613 55.803 -0.654 0.000 0.793 440 Q CB 1.273 29.540 28.738 -0.785 0.000 1.459 440 Q HN 0.238 nan 8.270 nan 0.000 0.422 441 P HA -0.189 nan 4.420 nan 0.000 0.216 441 P C 1.176 178.262 177.300 -0.357 0.000 1.150 441 P CA 1.966 64.898 63.100 -0.280 0.000 0.843 441 P CB 0.221 31.843 31.700 -0.129 0.000 0.787 442 S N -1.566 113.923 115.700 -0.352 0.000 2.522 442 S HA -0.098 4.372 4.470 0.000 0.000 0.227 442 S C 0.503 174.916 174.600 -0.312 0.000 0.986 442 S CA 0.198 58.262 58.200 -0.226 0.000 0.929 442 S CB -1.262 61.910 63.200 -0.046 0.000 0.769 442 S HN 0.436 nan 8.310 nan 0.000 0.529 443 H N -1.496 117.119 119.070 -0.757 0.000 2.562 443 H HA 0.443 5.000 4.556 0.000 0.000 0.230 443 H C -3.214 170.933 175.328 -1.967 0.000 1.415 443 H CA -1.687 53.519 56.048 -1.405 0.000 1.454 443 H CB 0.302 29.524 29.762 -0.901 0.000 1.716 443 H HN 0.068 nan 8.280 nan 0.000 0.538 444 P HA 0.061 nan 4.420 nan 0.000 0.225 444 P C -1.214 175.393 177.300 -1.154 0.000 1.768 444 P CA 0.255 62.225 63.100 -1.884 0.000 0.943 444 P CB -1.091 30.097 31.700 -0.854 0.000 1.936 445 W N -0.623 120.279 121.300 -0.664 0.000 3.167 445 W HA 0.516 5.176 4.660 0.000 0.000 0.324 445 W C -0.781 175.799 176.519 0.102 0.000 1.230 445 W CA -1.330 55.986 57.345 -0.048 0.000 1.184 445 W CB 0.048 29.527 29.460 0.033 0.000 1.414 445 W HN -0.028 nan 8.180 nan 0.000 0.551 446 H N 1.234 120.583 119.070 0.467 0.000 2.562 446 H HA 0.657 5.213 4.556 0.000 0.000 0.352 446 H C -0.079 175.412 175.328 0.272 0.000 1.125 446 H CA 0.581 56.811 56.048 0.303 0.000 1.379 446 H CB 1.335 31.244 29.762 0.244 0.000 1.464 446 H HN 0.570 nan 8.280 nan 0.000 0.563 447 T N 2.186 116.399 114.554 -0.569 0.000 2.900 447 T HA 0.508 4.858 4.350 0.000 0.000 0.295 447 T C -0.752 173.669 174.700 -0.464 0.000 1.044 447 T CA -1.130 60.673 62.100 -0.496 0.000 0.995 447 T CB 1.720 70.182 68.868 -0.676 0.000 1.072 447 T HN 0.669 nan 8.240 nan 0.000 0.473 448 Q N 1.595 121.309 119.800 -0.144 0.000 2.274 448 Q HA 0.544 4.884 4.340 0.000 0.000 0.268 448 Q C -1.282 174.593 176.000 -0.209 0.000 1.015 448 Q CA -0.600 55.024 55.803 -0.297 0.000 0.775 448 Q CB 2.562 31.014 28.738 -0.477 0.000 1.256 448 Q HN 0.717 nan 8.270 nan 0.000 0.442 449 I N 3.770 124.189 120.570 -0.252 0.000 2.495 449 I HA 0.376 4.546 4.170 0.000 0.000 0.277 449 I C -0.385 175.624 176.117 -0.180 0.000 1.045 449 I CA -0.282 60.761 61.300 -0.428 0.000 1.135 449 I CB 0.431 38.050 38.000 -0.635 0.000 1.241 449 I HN 0.746 nan 8.210 nan 0.000 0.469 450 H N 3.738 122.628 119.070 -0.299 0.000 3.001 450 H HA 0.650 5.206 4.556 0.000 0.000 0.266 450 H C -1.229 174.030 175.328 -0.115 0.000 1.532 450 H CA -1.352 54.595 56.048 -0.169 0.000 1.187 450 H CB 1.423 31.109 29.762 -0.126 0.000 1.881 450 H HN 0.117 nan 8.280 nan 0.000 0.643 451 R N 1.431 121.761 120.500 -0.283 0.000 2.532 451 R HA 0.277 4.617 4.340 0.000 0.000 0.297 451 R C -1.550 174.510 176.300 -0.400 0.000 0.984 451 R CA -0.575 55.339 56.100 -0.310 0.000 0.884 451 R CB 1.785 32.032 30.300 -0.087 0.000 1.182 451 R HN 0.912 nan 8.270 nan 0.000 0.442 452 D N 0.340 120.511 120.400 -0.382 0.000 2.566 452 D HA 0.392 5.032 4.640 0.000 0.000 0.254 452 D C -0.554 175.729 176.300 -0.028 0.000 1.090 452 D CA -0.841 53.034 54.000 -0.208 0.000 1.034 452 D CB 0.781 41.463 40.800 -0.197 0.000 1.434 452 D HN 0.406 nan 8.370 nan 0.000 0.509 453 A N -0.096 122.729 122.820 0.009 0.000 2.468 453 A HA 0.209 4.530 4.320 0.000 0.000 0.295 453 A C -0.744 176.900 177.584 0.101 0.000 0.906 453 A CA 0.569 52.653 52.037 0.078 0.000 1.156 453 A CB -1.270 17.787 19.000 0.096 0.000 0.738 453 A HN 0.453 nan 8.150 nan 0.000 0.393 454 F N 2.060 121.950 119.950 -0.100 0.000 2.591 454 F HA 0.503 5.030 4.527 0.000 0.000 0.309 454 F C 0.406 176.032 175.800 -0.290 0.000 1.098 454 F CA -0.220 57.607 58.000 -0.289 0.000 0.937 454 F CB 2.157 40.816 39.000 -0.568 0.000 1.250 454 F HN 0.418 nan 8.300 nan 0.000 0.447 455 S N 5.052 120.187 115.700 -0.943 0.000 2.835 455 S HA 0.359 4.829 4.470 0.000 0.000 0.286 455 S C -1.148 173.205 174.600 -0.412 0.000 1.194 455 S CA -0.243 57.623 58.200 -0.555 0.000 1.031 455 S CB -0.697 62.181 63.200 -0.535 0.000 1.216 455 S HN 0.437 nan 8.310 nan 0.000 0.502 456 Y N 2.637 123.015 120.300 0.130 0.000 2.359 456 Y HA 0.420 4.970 4.550 0.000 0.000 0.334 456 Y C 1.492 177.459 175.900 0.113 0.000 1.058 456 Y CA 0.049 58.297 58.100 0.247 0.000 1.244 456 Y CB 0.552 39.159 38.460 0.245 0.000 1.187 456 Y HN 0.674 nan 8.280 nan 0.000 0.510 457 G N 1.282 110.237 108.800 0.260 0.000 2.732 457 G HA2 0.206 4.166 3.960 0.000 0.000 0.244 457 G HA3 0.206 4.166 3.960 0.000 0.000 0.244 457 G C 0.964 175.955 174.900 0.152 0.000 1.226 457 G CA -0.022 45.172 45.100 0.157 0.000 0.860 457 G HN 0.899 nan 8.290 nan 0.000 0.583 458 A N -0.213 122.664 122.820 0.095 0.000 1.978 458 A HA -0.010 4.310 4.320 0.000 0.000 0.220 458 A C 2.435 180.059 177.584 0.066 0.000 1.170 458 A CA 2.061 54.141 52.037 0.072 0.000 0.636 458 A CB -0.360 18.669 19.000 0.049 0.000 0.810 458 A HN 0.558 nan 8.150 nan 0.000 0.448 459 V N -0.647 119.310 119.914 0.073 0.000 2.599 459 V HA -0.194 3.926 4.120 0.000 0.000 0.245 459 V C 2.434 178.568 176.094 0.067 0.000 1.046 459 V CA 1.677 64.012 62.300 0.059 0.000 1.065 459 V CB -0.805 31.051 31.823 0.055 0.000 0.703 459 V HN 0.599 nan 8.190 nan 0.000 0.464 460 Q N 0.034 119.900 119.800 0.110 0.000 2.170 460 Q HA -0.213 4.127 4.340 0.000 0.000 0.203 460 Q C 2.201 178.209 176.000 0.013 0.000 0.976 460 Q CA 1.264 57.136 55.803 0.115 0.000 0.858 460 Q CB -0.189 28.723 28.738 0.289 0.000 0.907 460 Q HN 0.691 nan 8.270 nan 0.000 0.433 461 Q N -0.189 119.634 119.800 0.037 0.000 2.508 461 Q HA -0.103 4.237 4.340 0.000 0.000 0.214 461 Q C 1.867 177.849 176.000 -0.030 0.000 0.979 461 Q CA 0.738 56.528 55.803 -0.023 0.000 0.911 461 Q CB -0.115 28.644 28.738 0.035 0.000 0.969 461 Q HN 0.166 nan 8.270 nan 0.000 0.504 462 S N 0.009 115.703 115.700 -0.009 0.000 2.423 462 S HA -0.027 4.443 4.470 0.000 0.000 0.231 462 S C 0.895 175.480 174.600 -0.024 0.000 1.014 462 S CA 0.259 58.455 58.200 -0.007 0.000 0.965 462 S CB 0.226 63.431 63.200 0.009 0.000 0.785 462 S HN 0.164 nan 8.310 nan 0.000 0.495 463 I N 2.736 123.277 120.570 -0.049 0.000 2.365 463 I HA 0.230 4.400 4.170 0.000 0.000 0.291 463 I C 0.397 176.465 176.117 -0.082 0.000 1.004 463 I CA -0.759 60.508 61.300 -0.054 0.000 1.311 463 I CB 0.749 38.716 38.000 -0.054 0.000 1.401 463 I HN 0.170 nan 8.210 nan 0.000 0.491 464 D N 4.068 124.441 120.400 -0.046 0.000 2.493 464 D HA -0.072 4.568 4.640 0.000 0.000 0.240 464 D C 1.259 177.518 176.300 -0.067 0.000 1.142 464 D CA 0.211 54.188 54.000 -0.038 0.000 0.872 464 D CB 1.174 41.976 40.800 0.003 0.000 1.173 464 D HN 0.675 nan 8.370 nan 0.000 0.467 465 S N 4.319 119.971 115.700 -0.080 0.000 2.419 465 S HA -0.181 4.290 4.470 0.000 0.000 0.233 465 S C 1.665 176.239 174.600 -0.043 0.000 1.016 465 S CA 0.616 58.755 58.200 -0.100 0.000 0.974 465 S CB -0.035 63.120 63.200 -0.076 0.000 0.786 465 S HN 0.553 nan 8.310 nan 0.000 0.492 466 R N 0.654 121.143 120.500 -0.019 0.000 2.193 466 R HA 0.169 4.509 4.340 0.000 0.000 0.229 466 R C 1.881 178.166 176.300 -0.024 0.000 1.110 466 R CA 1.180 57.267 56.100 -0.020 0.000 0.988 466 R CB -0.516 29.764 30.300 -0.034 0.000 0.871 466 R HN 0.459 nan 8.270 nan 0.000 0.458 467 L N 0.331 121.540 121.223 -0.023 0.000 2.418 467 L HA 0.108 4.448 4.340 0.000 0.000 0.218 467 L C 0.732 177.604 176.870 0.004 0.000 1.125 467 L CA 0.230 55.064 54.840 -0.011 0.000 0.835 467 L CB 0.095 42.145 42.059 -0.014 0.000 0.953 467 L HN 0.065 nan 8.230 nan 0.000 0.454 468 I N 0.304 120.871 120.570 -0.005 0.000 2.365 468 I HA 0.227 4.397 4.170 0.000 0.000 0.291 468 I C -0.578 175.558 176.117 0.032 0.000 1.004 468 I CA -0.331 60.979 61.300 0.018 0.000 1.311 468 I CB 1.652 39.647 38.000 -0.008 0.000 1.401 468 I HN -0.282 nan 8.210 nan 0.000 0.491 469 V N 4.936 124.890 119.914 0.066 0.000 2.656 469 V HA 0.349 4.469 4.120 0.000 0.000 0.307 469 V C -0.817 175.282 176.094 0.009 0.000 1.051 469 V CA -0.859 61.444 62.300 0.005 0.000 0.893 469 V CB 2.214 34.033 31.823 -0.006 0.000 0.999 469 V HN 0.578 nan 8.190 nan 0.000 0.426 470 D N 2.281 122.615 120.400 -0.110 0.000 2.175 470 D HA 0.481 5.121 4.640 0.000 0.000 0.248 470 D C -1.057 175.170 176.300 -0.121 0.000 1.047 470 D CA 0.042 54.017 54.000 -0.042 0.000 0.883 470 D CB 1.441 42.235 40.800 -0.010 0.000 1.180 470 D HN 0.444 nan 8.370 nan 0.000 0.438 471 W N 1.402 122.676 121.300 -0.044 0.000 2.538 471 W HA 0.457 5.117 4.660 0.000 0.000 0.322 471 W C 0.236 176.781 176.519 0.043 0.000 1.028 471 W CA -0.843 56.506 57.345 0.007 0.000 1.228 471 W CB 1.289 30.637 29.460 -0.185 0.000 1.356 471 W HN -0.077 nan 8.180 nan 0.000 0.452 472 R N 3.015 123.737 120.500 0.369 0.000 2.483 472 R HA 0.502 4.842 4.340 0.000 0.000 0.303 472 R C -1.585 174.877 176.300 0.270 0.000 0.987 472 R CA -0.847 55.363 56.100 0.184 0.000 0.881 472 R CB 1.623 32.004 30.300 0.135 0.000 1.177 472 R HN 0.177 nan 8.270 nan 0.000 0.451 473 F N 3.055 122.842 119.950 -0.271 0.000 2.495 473 F HA 0.512 5.039 4.527 0.000 0.000 0.327 473 F C -0.382 175.281 175.800 -0.229 0.000 1.103 473 F CA -1.549 56.383 58.000 -0.114 0.000 0.949 473 F CB 1.169 40.072 39.000 -0.163 0.000 1.142 473 F HN 0.295 nan 8.300 nan 0.000 0.457 474 F N 1.300 121.449 119.950 0.332 0.000 2.449 474 F HA 0.665 5.192 4.527 0.000 0.000 0.342 474 F C 0.635 176.658 175.800 0.371 0.000 1.127 474 F CA -1.134 57.064 58.000 0.329 0.000 0.975 474 F CB 1.473 40.717 39.000 0.405 0.000 1.146 474 F HN 0.515 nan 8.300 nan 0.000 0.444 475 G N 2.087 111.149 108.800 0.436 0.000 2.462 475 G HA2 0.642 4.602 3.960 0.000 0.000 0.319 475 G HA3 0.642 4.602 3.960 0.000 0.000 0.319 475 G C -0.856 174.253 174.900 0.349 0.000 1.171 475 G CA -1.077 44.267 45.100 0.407 0.000 0.920 475 G HN 0.707 nan 8.290 nan 0.000 0.499 476 R N -0.783 119.916 120.500 0.331 0.000 2.486 476 R HA 0.669 5.009 4.340 0.000 0.000 0.286 476 R C -0.985 175.416 176.300 0.168 0.000 0.999 476 R CA -0.566 55.642 56.100 0.179 0.000 0.993 476 R CB 1.302 31.717 30.300 0.192 0.000 1.084 476 R HN 0.269 nan 8.270 nan 0.000 0.487 477 T N 1.780 116.396 114.554 0.103 0.000 2.812 477 T HA 0.119 4.469 4.350 0.000 0.000 0.282 477 T C -0.773 173.999 174.700 0.120 0.000 0.990 477 T CA -0.636 61.574 62.100 0.182 0.000 0.960 477 T CB 1.384 70.436 68.868 0.306 0.000 0.948 477 T HN 0.658 nan 8.240 nan 0.000 0.438 478 E N 4.797 125.072 120.200 0.125 0.000 2.417 478 E HA 0.075 4.425 4.350 0.000 0.000 0.261 478 E C -2.075 174.596 176.600 0.118 0.000 1.000 478 E CA -1.514 54.950 56.400 0.106 0.000 0.919 478 E CB 0.507 30.263 29.700 0.093 0.000 0.955 478 E HN 0.208 nan 8.360 nan 0.000 0.455 479 P HA 0.076 nan 4.420 nan 0.000 0.271 479 P C -1.199 176.249 177.300 0.248 0.000 1.226 479 P CA 0.184 63.414 63.100 0.217 0.000 0.765 479 P CB 0.661 32.503 31.700 0.237 0.000 0.835 480 K N 2.685 123.186 120.400 0.168 0.000 2.427 480 K HA 0.168 4.488 4.320 0.000 0.000 0.252 480 K C 0.960 177.398 176.600 -0.270 0.000 0.931 480 K CA -0.713 55.592 56.287 0.030 0.000 0.793 480 K CB 2.408 34.883 32.500 -0.042 0.000 1.211 480 K HN 0.448 nan 8.250 nan 0.000 0.426 481 E N 2.121 122.007 120.200 -0.523 0.000 2.130 481 E HA -0.232 4.118 4.350 0.000 0.000 0.196 481 E C 1.051 177.391 176.600 -0.434 0.000 0.998 481 E CA 1.655 57.504 56.400 -0.918 0.000 0.806 481 E CB 0.462 29.869 29.700 -0.490 0.000 0.738 481 E HN 0.557 nan 8.360 nan 0.000 0.459 482 E N 0.257 120.315 120.200 -0.236 0.000 2.347 482 E HA -0.105 4.245 4.350 0.000 0.000 0.196 482 E C 0.019 176.562 176.600 -0.095 0.000 1.008 482 E CA 0.298 56.615 56.400 -0.138 0.000 0.852 482 E CB -0.246 29.391 29.700 -0.106 0.000 0.783 482 E HN 0.070 nan 8.360 nan 0.000 0.505 483 N N 2.056 120.690 118.700 -0.110 0.000 2.401 483 N HA 0.173 4.913 4.740 0.000 0.000 0.255 483 N C -0.818 174.751 175.510 0.100 0.000 1.110 483 N CA 0.161 53.204 53.050 -0.011 0.000 0.949 483 N CB 1.039 39.486 38.487 -0.065 0.000 1.110 483 N HN 0.114 nan 8.380 nan 0.000 0.490 484 K N 1.306 121.820 120.400 0.189 0.000 2.464 484 K HA 0.436 4.756 4.320 0.000 0.000 0.253 484 K C -1.156 175.592 176.600 0.247 0.000 0.933 484 K CA -0.924 55.489 56.287 0.211 0.000 0.801 484 K CB 2.439 35.076 32.500 0.229 0.000 1.271 484 K HN 0.168 nan 8.250 nan 0.000 0.430 485 L N 4.332 125.647 121.223 0.154 0.000 2.298 485 L HA 0.560 4.900 4.340 0.000 0.000 0.284 485 L C -1.237 175.567 176.870 -0.111 0.000 1.013 485 L CA -0.094 54.675 54.840 -0.120 0.000 0.824 485 L CB 0.448 42.444 42.059 -0.106 0.000 1.221 485 L HN 0.693 nan 8.230 nan 0.000 0.418 486 W N 3.680 124.693 121.300 -0.479 0.000 3.017 486 W HA 0.648 5.308 4.660 0.000 0.000 0.341 486 W C -2.149 173.939 176.519 -0.719 0.000 1.180 486 W CA -1.215 55.907 57.345 -0.371 0.000 1.097 486 W CB 0.966 30.350 29.460 -0.127 0.000 1.468 486 W HN 0.329 nan 8.180 nan 0.000 0.584 487 F N 1.512 121.674 119.950 0.353 0.000 2.539 487 F HA 0.317 4.844 4.527 0.000 0.000 0.318 487 F C 0.743 176.721 175.800 0.297 0.000 1.135 487 F CA -0.890 57.192 58.000 0.137 0.000 0.915 487 F CB 2.139 41.188 39.000 0.082 0.000 1.176 487 F HN 0.273 nan 8.300 nan 0.000 0.440 488 S N 1.213 117.088 115.700 0.291 0.000 2.560 488 S HA 0.037 4.508 4.470 0.000 0.000 0.284 488 S C 0.809 175.560 174.600 0.253 0.000 1.327 488 S CA -0.471 57.923 58.200 0.322 0.000 1.055 488 S CB 0.347 63.638 63.200 0.152 0.000 0.868 488 S HN 0.682 nan 8.310 nan 0.000 0.506 489 D N 3.005 123.536 120.400 0.219 0.000 2.340 489 D HA 0.091 4.731 4.640 0.000 0.000 0.220 489 D C 0.977 177.337 176.300 0.101 0.000 1.039 489 D CA 0.415 54.497 54.000 0.136 0.000 0.866 489 D CB 0.193 41.053 40.800 0.100 0.000 0.913 489 D HN 0.442 nan 8.370 nan 0.000 0.523 490 K N -0.175 120.289 120.400 0.107 0.000 2.485 490 K HA 0.118 4.438 4.320 0.000 0.000 0.200 490 K C 0.023 176.665 176.600 0.070 0.000 1.352 490 K CA -0.125 56.209 56.287 0.078 0.000 0.953 490 K CB 0.883 33.428 32.500 0.074 0.000 1.387 490 K HN -0.018 nan 8.250 nan 0.000 0.512 491 I N 3.567 124.183 120.570 0.076 0.000 2.474 491 I HA 0.109 4.279 4.170 0.000 0.000 0.287 491 I C 0.661 176.814 176.117 0.059 0.000 1.048 491 I CA 0.081 61.414 61.300 0.055 0.000 1.383 491 I CB 0.925 38.947 38.000 0.036 0.000 1.412 491 I HN 0.184 nan 8.210 nan 0.000 0.531 492 T N 1.632 116.216 114.554 0.050 0.000 2.930 492 T HA 0.658 5.009 4.350 0.000 0.000 0.290 492 T C -0.388 174.345 174.700 0.056 0.000 1.052 492 T CA -0.887 61.249 62.100 0.060 0.000 1.017 492 T CB 2.422 71.321 68.868 0.052 0.000 1.137 492 T HN 0.536 nan 8.240 nan 0.000 0.511 493 D N 0.280 120.729 120.400 0.082 0.000 2.539 493 D HA 0.526 5.166 4.640 0.000 0.000 0.280 493 D C 1.638 177.974 176.300 0.060 0.000 1.208 493 D CA -0.467 53.585 54.000 0.088 0.000 1.088 493 D CB 0.065 40.955 40.800 0.151 0.000 1.149 493 D HN 0.645 nan 8.370 nan 0.000 0.596 494 A N -1.399 121.449 122.820 0.047 0.000 2.070 494 A HA -0.122 4.198 4.320 0.000 0.000 0.220 494 A C 1.151 178.553 177.584 -0.303 0.000 1.159 494 A CA 0.985 52.948 52.037 -0.124 0.000 0.656 494 A CB -0.982 17.919 19.000 -0.165 0.000 0.800 494 A HN 0.545 nan 8.150 nan 0.000 0.453 495 Y N -1.332 118.989 120.300 0.034 0.000 2.658 495 Y HA 0.252 4.802 4.550 0.000 0.000 0.276 495 Y C 0.727 176.649 175.900 0.037 0.000 1.167 495 Y CA -0.216 57.907 58.100 0.038 0.000 1.230 495 Y CB -0.333 38.140 38.460 0.021 0.000 1.144 495 Y HN 0.435 nan 8.280 nan 0.000 0.529 496 N N -0.280 118.478 118.700 0.097 0.000 2.741 496 N HA -0.170 4.570 4.740 0.000 0.000 0.250 496 N C -0.616 174.939 175.510 0.075 0.000 1.115 496 N CA 0.622 53.711 53.050 0.065 0.000 0.724 496 N CB -0.512 37.996 38.487 0.035 0.000 1.090 496 N HN 0.154 nan 8.380 nan 0.000 0.558 497 M N -0.385 119.280 119.600 0.108 0.000 2.654 497 M HA 0.445 4.925 4.480 0.000 0.000 0.310 497 M C -2.106 174.258 176.300 0.107 0.000 1.211 497 M CA -1.981 53.373 55.300 0.090 0.000 0.947 497 M CB 0.509 33.168 32.600 0.098 0.000 1.647 497 M HN -0.273 nan 8.290 nan 0.000 0.481 498 P HA -0.001 nan 4.420 nan 0.000 0.261 498 P C -0.647 176.804 177.300 0.253 0.000 1.183 498 P CA 0.104 63.304 63.100 0.166 0.000 0.761 498 P CB 0.210 32.014 31.700 0.172 0.000 0.785 499 Q N 7.072 126.965 119.800 0.154 0.000 2.289 499 Q HA 0.157 4.497 4.340 0.000 0.000 0.273 499 Q C -2.244 173.718 176.000 -0.064 0.000 1.029 499 Q CA -1.869 53.973 55.803 0.064 0.000 0.896 499 Q CB -0.194 28.537 28.738 -0.012 0.000 1.182 499 Q HN 0.296 nan 8.270 nan 0.000 0.385 500 P HA 0.112 nan 4.420 nan 0.000 0.271 500 P C -1.050 175.754 177.300 -0.826 0.000 1.218 500 P CA -0.148 62.535 63.100 -0.696 0.000 0.780 500 P CB 1.015 32.369 31.700 -0.577 0.000 0.901 501 T N 2.627 116.455 114.554 -1.210 0.000 2.971 501 T HA 0.499 4.849 4.350 0.000 0.000 0.304 501 T C -0.639 173.333 174.700 -1.213 0.000 1.038 501 T CA -0.118 61.249 62.100 -1.221 0.000 1.007 501 T CB 0.472 68.301 68.868 -1.732 0.000 1.055 501 T HN 0.055 nan 8.240 nan 0.000 0.451 502 F N 1.998 121.661 119.950 -0.479 0.000 2.399 502 F HA 0.524 5.051 4.527 0.000 0.000 0.334 502 F C 0.639 176.377 175.800 -0.104 0.000 1.097 502 F CA -0.973 56.874 58.000 -0.256 0.000 1.076 502 F CB 1.085 39.986 39.000 -0.164 0.000 1.162 502 F HN 0.398 nan 8.300 nan 0.000 0.495 503 D N 3.529 124.093 120.400 0.273 0.000 2.420 503 D HA 0.235 4.875 4.640 0.000 0.000 0.255 503 D C -1.770 174.668 176.300 0.230 0.000 1.185 503 D CA -0.136 54.014 54.000 0.250 0.000 0.904 503 D CB 0.333 41.316 40.800 0.305 0.000 1.102 503 D HN 0.309 nan 8.370 nan 0.000 0.534 504 F N 3.439 123.388 119.950 -0.002 0.000 2.561 504 F HA 0.583 5.110 4.527 0.000 0.000 0.313 504 F C -1.131 174.570 175.800 -0.165 0.000 1.126 504 F CA -0.623 57.309 58.000 -0.113 0.000 0.918 504 F CB 1.374 40.241 39.000 -0.221 0.000 1.199 504 F HN 0.040 nan 8.300 nan 0.000 0.444 505 R N 4.467 124.442 120.500 -0.874 0.000 2.725 505 R HA 0.348 4.688 4.340 0.000 0.000 0.277 505 R C -1.616 174.059 176.300 -1.041 0.000 0.987 505 R CA -0.965 54.736 56.100 -0.664 0.000 0.901 505 R CB 1.795 31.933 30.300 -0.271 0.000 1.207 505 R HN 0.592 nan 8.270 nan 0.000 0.463 506 F N 2.875 122.579 119.950 -0.409 0.000 2.578 506 F HA 0.151 4.678 4.527 0.000 0.000 0.381 506 F C -1.313 174.356 175.800 -0.219 0.000 1.069 506 F CA -0.922 56.929 58.000 -0.248 0.000 1.231 506 F CB -0.149 38.836 39.000 -0.025 0.000 1.086 506 F HN 0.136 nan 8.300 nan 0.000 0.564 507 P HA 0.147 nan 4.420 nan 0.000 0.269 507 P C -0.600 176.712 177.300 0.020 0.000 1.209 507 P CA -0.229 62.847 63.100 -0.041 0.000 0.776 507 P CB 0.600 32.288 31.700 -0.020 0.000 0.876 508 A N 2.296 125.116 122.820 -0.001 0.000 2.327 508 A HA 0.577 4.897 4.320 0.000 0.000 0.255 508 A C 1.114 178.713 177.584 0.025 0.000 1.099 508 A CA 0.695 52.738 52.037 0.010 0.000 0.801 508 A CB -0.965 18.034 19.000 -0.002 0.000 1.062 508 A HN 0.818 nan 8.150 nan 0.000 0.496 509 G N 0.039 108.856 108.800 0.028 0.000 2.509 509 G HA2 -0.284 3.676 3.960 0.000 0.000 0.256 509 G HA3 -0.284 3.676 3.960 0.000 0.000 0.256 509 G C 1.093 176.024 174.900 0.052 0.000 1.152 509 G CA 0.826 45.948 45.100 0.037 0.000 0.951 509 G HN 1.042 nan 8.290 nan 0.000 0.559 510 R N -0.144 120.393 120.500 0.062 0.000 2.103 510 R HA -0.090 4.250 4.340 0.000 0.000 0.242 510 R C 2.798 179.158 176.300 0.100 0.000 1.142 510 R CA 2.724 58.872 56.100 0.080 0.000 0.960 510 R CB -0.853 29.497 30.300 0.083 0.000 0.858 510 R HN 0.618 nan 8.270 nan 0.000 0.439 511 T N -0.080 114.536 114.554 0.103 0.000 2.708 511 T HA -0.086 4.264 4.350 0.000 0.000 0.266 511 T C 1.902 176.661 174.700 0.099 0.000 1.037 511 T CA 1.752 63.930 62.100 0.130 0.000 1.146 511 T CB -0.124 68.839 68.868 0.158 0.000 0.865 511 T HN 0.276 nan 8.240 nan 0.000 0.435 512 S N 0.631 116.371 115.700 0.067 0.000 2.371 512 S HA -0.010 4.460 4.470 0.000 0.000 0.224 512 S C 2.009 176.624 174.600 0.025 0.000 1.029 512 S CA 0.868 59.077 58.200 0.016 0.000 0.978 512 S CB -0.169 63.034 63.200 0.005 0.000 0.833 512 S HN 0.473 nan 8.310 nan 0.000 0.466 513 K N 1.364 121.795 120.400 0.051 0.000 2.063 513 K HA -0.144 4.176 4.320 0.000 0.000 0.208 513 K C 1.928 178.591 176.600 0.105 0.000 1.048 513 K CA 1.472 57.799 56.287 0.066 0.000 0.928 513 K CB -0.103 32.441 32.500 0.073 0.000 0.713 513 K HN 0.361 nan 8.250 nan 0.000 0.442 514 E N -0.149 120.139 120.200 0.147 0.000 2.106 514 E HA -0.172 4.178 4.350 0.000 0.000 0.192 514 E C 1.971 178.674 176.600 0.172 0.000 0.984 514 E CA 0.891 57.441 56.400 0.251 0.000 0.806 514 E CB -0.099 29.781 29.700 0.300 0.000 0.750 514 E HN 0.441 nan 8.360 nan 0.000 0.458 515 A N 1.445 124.332 122.820 0.113 0.000 1.883 515 A HA -0.269 4.051 4.320 0.000 0.000 0.217 515 A C 2.097 179.759 177.584 0.130 0.000 1.186 515 A CA 1.912 54.010 52.037 0.102 0.000 0.624 515 A CB -0.415 18.595 19.000 0.017 0.000 0.822 515 A HN 0.152 nan 8.150 nan 0.000 0.444 516 E N 0.350 120.608 120.200 0.097 0.000 2.107 516 E HA -0.139 4.211 4.350 0.000 0.000 0.191 516 E C 1.337 177.922 176.600 -0.026 0.000 0.982 516 E CA 1.443 57.897 56.400 0.091 0.000 0.809 516 E CB -0.307 29.422 29.700 0.048 0.000 0.756 516 E HN 0.513 nan 8.360 nan 0.000 0.459 517 D N -0.061 120.324 120.400 -0.025 0.000 2.149 517 D HA -0.186 4.454 4.640 0.000 0.000 0.198 517 D C 1.901 177.955 176.300 -0.410 0.000 0.990 517 D CA 1.196 55.165 54.000 -0.052 0.000 0.839 517 D CB -0.311 40.588 40.800 0.166 0.000 0.948 517 D HN 0.320 nan 8.370 nan 0.000 0.460 518 M N -0.303 118.842 119.600 -0.759 0.000 2.086 518 M HA -0.212 4.268 4.480 0.000 0.000 0.261 518 M C 2.063 177.943 176.300 -0.700 0.000 1.067 518 M CA 1.255 55.771 55.300 -1.306 0.000 1.116 518 M CB -0.012 32.057 32.600 -0.884 0.000 1.348 518 M HN -0.036 nan 8.290 nan 0.000 0.407 519 M N 0.385 119.697 119.600 -0.480 0.000 2.073 519 M HA -0.187 4.293 4.480 0.000 0.000 0.258 519 M C 1.824 177.912 176.300 -0.355 0.000 1.070 519 M CA 2.508 57.528 55.300 -0.467 0.000 1.103 519 M CB -1.038 31.353 32.600 -0.349 0.000 1.321 519 M HN 0.288 nan 8.290 nan 0.000 0.405 520 T N -0.114 114.299 114.554 -0.235 0.000 2.746 520 T HA -0.160 4.190 4.350 0.000 0.000 0.267 520 T C 1.488 176.115 174.700 -0.122 0.000 1.039 520 T CA 1.743 63.759 62.100 -0.140 0.000 1.142 520 T CB -0.599 68.231 68.868 -0.063 0.000 0.866 520 T HN 0.527 nan 8.240 nan 0.000 0.444 521 D N 0.602 120.926 120.400 -0.126 0.000 2.123 521 D HA -0.083 4.557 4.640 0.000 0.000 0.196 521 D C 2.050 178.346 176.300 -0.007 0.000 0.992 521 D CA 0.919 54.956 54.000 0.061 0.000 0.833 521 D CB -0.218 40.729 40.800 0.245 0.000 0.954 521 D HN 0.288 nan 8.370 nan 0.000 0.455 522 M N -0.519 118.849 119.600 -0.387 0.000 2.117 522 M HA -0.173 4.307 4.480 0.000 0.000 0.262 522 M C 1.953 177.966 176.300 -0.479 0.000 1.065 522 M CA 1.325 56.137 55.300 -0.813 0.000 1.114 522 M CB -0.150 31.701 32.600 -1.248 0.000 1.361 522 M HN 0.199 nan 8.290 nan 0.000 0.408 523 C N -0.351 118.766 119.300 -0.305 0.000 2.429 523 C HA -0.110 4.350 4.460 0.000 0.000 0.277 523 C C 2.673 177.567 174.990 -0.160 0.000 1.262 523 C CA 0.846 59.789 59.018 -0.125 0.000 1.733 523 C CB -0.997 26.721 27.740 -0.037 0.000 2.010 523 C HN 0.495 nan 8.230 nan 0.000 0.483 524 V N 0.549 120.400 119.914 -0.104 0.000 2.307 524 V HA -0.295 3.825 4.120 0.000 0.000 0.245 524 V C 2.423 178.492 176.094 -0.041 0.000 1.045 524 V CA 2.288 64.559 62.300 -0.049 0.000 1.024 524 V CB -0.660 31.183 31.823 0.033 0.000 0.651 524 V HN 0.578 nan 8.190 nan 0.000 0.449 525 M N 0.689 120.305 119.600 0.026 0.000 2.132 525 M HA -0.165 4.316 4.480 0.000 0.000 0.263 525 M C 2.424 178.590 176.300 -0.225 0.000 1.065 525 M CA 2.322 57.698 55.300 0.127 0.000 1.122 525 M CB -0.188 32.651 32.600 0.399 0.000 1.365 525 M HN 0.569 nan 8.290 nan 0.000 0.411 526 S N 0.316 115.569 115.700 -0.746 0.000 2.423 526 S HA -0.012 4.458 4.470 0.000 0.000 0.231 526 S C 1.969 176.160 174.600 -0.682 0.000 1.014 526 S CA 0.836 58.171 58.200 -1.442 0.000 0.965 526 S CB -0.751 61.383 63.200 -1.777 0.000 0.785 526 S HN 0.554 nan 8.310 nan 0.000 0.495 527 A N 2.232 124.763 122.820 -0.482 0.000 2.019 527 A HA -0.047 4.273 4.320 0.000 0.000 0.219 527 A C 2.170 179.626 177.584 -0.213 0.000 1.164 527 A CA 1.397 53.214 52.037 -0.366 0.000 0.644 527 A CB -0.552 18.260 19.000 -0.313 0.000 0.805 527 A HN 0.640 nan 8.150 nan 0.000 0.449 528 K N -0.728 119.591 120.400 -0.135 0.000 2.288 528 K HA 0.020 4.340 4.320 0.000 0.000 0.201 528 K C 1.179 177.772 176.600 -0.012 0.000 1.048 528 K CA 0.766 57.022 56.287 -0.051 0.000 0.956 528 K CB -0.026 32.483 32.500 0.014 0.000 0.746 528 K HN 0.405 nan 8.250 nan 0.000 0.461 529 I N -0.544 120.032 120.570 0.010 0.000 3.172 529 I HA 0.134 4.304 4.170 0.000 0.000 0.278 529 I C 1.126 177.256 176.117 0.023 0.000 1.174 529 I CA 0.609 61.964 61.300 0.092 0.000 1.445 529 I CB -0.037 38.154 38.000 0.319 0.000 1.175 529 I HN 0.096 nan 8.210 nan 0.000 0.447 530 G N -0.681 108.078 108.800 -0.069 0.000 2.356 530 G HA2 0.466 4.426 3.960 0.000 0.000 0.294 530 G HA3 0.466 4.426 3.960 0.000 0.000 0.294 530 G C -0.637 174.118 174.900 -0.240 0.000 1.423 530 G CA -0.164 44.873 45.100 -0.105 0.000 0.806 530 G HN 0.283 nan 8.290 nan 0.000 0.527 531 G N -1.112 107.543 108.800 -0.242 0.000 2.599 531 G HA2 0.549 4.509 3.960 0.000 0.000 0.264 531 G HA3 0.549 4.509 3.960 0.000 0.000 0.264 531 G C -0.264 174.456 174.900 -0.299 0.000 1.200 531 G CA -0.530 44.335 45.100 -0.392 0.000 0.896 531 G HN 0.438 nan 8.290 nan 0.000 0.536 532 F N -0.803 119.055 119.950 -0.153 0.000 2.553 532 F HA 0.213 4.740 4.527 0.000 0.000 0.356 532 F C 0.698 176.440 175.800 -0.096 0.000 1.142 532 F CA -0.701 57.204 58.000 -0.159 0.000 1.322 532 F CB 0.698 39.596 39.000 -0.170 0.000 1.126 532 F HN 0.174 nan 8.300 nan 0.000 0.599 533 L N 5.795 127.092 121.223 0.123 0.000 2.313 533 L HA 0.446 4.787 4.340 0.000 0.000 0.282 533 L C -2.445 174.471 176.870 0.076 0.000 1.092 533 L CA -1.992 52.893 54.840 0.074 0.000 0.831 533 L CB 0.215 42.312 42.059 0.063 0.000 1.159 533 L HN 0.273 nan 8.230 nan 0.000 0.442 534 P HA 0.182 nan 4.420 nan 0.000 0.264 534 P C 0.643 177.990 177.300 0.079 0.000 1.183 534 P CA 1.062 64.199 63.100 0.062 0.000 0.763 534 P CB 0.623 32.354 31.700 0.053 0.000 0.807 535 G N 1.912 110.753 108.800 0.069 0.000 2.205 535 G HA2 -0.246 3.714 3.960 0.000 0.000 0.261 535 G HA3 -0.246 3.714 3.960 0.000 0.000 0.261 535 G C 0.481 175.462 174.900 0.134 0.000 0.980 535 G CA 0.271 45.430 45.100 0.099 0.000 0.632 535 G HN 0.531 nan 8.290 nan 0.000 0.533 536 S N 0.701 116.453 115.700 0.087 0.000 2.474 536 S HA 0.519 4.989 4.470 0.000 0.000 0.224 536 S C 0.488 175.002 174.600 -0.143 0.000 1.209 536 S CA -0.550 57.688 58.200 0.063 0.000 1.212 536 S CB 0.261 63.479 63.200 0.029 0.000 1.137 536 S HN 0.468 nan 8.310 nan 0.000 0.446 537 L N 2.397 123.522 121.223 -0.162 0.000 2.466 537 L HA 0.376 4.716 4.340 0.000 0.000 0.257 537 L C -2.059 174.515 176.870 -0.494 0.000 1.189 537 L CA -2.281 52.318 54.840 -0.402 0.000 0.813 537 L CB -0.089 41.797 42.059 -0.289 0.000 1.118 537 L HN 0.067 nan 8.230 nan 0.000 0.471 538 P HA 0.009 nan 4.420 nan 0.000 0.263 538 P C -1.406 175.665 177.300 -0.382 0.000 1.195 538 P CA 0.128 62.840 63.100 -0.647 0.000 0.762 538 P CB 0.484 31.708 31.700 -0.794 0.000 0.799 539 Q N 1.651 121.273 119.800 -0.297 0.000 2.472 539 Q HA 0.478 4.818 4.340 0.000 0.000 0.281 539 Q C -1.505 174.367 176.000 -0.214 0.000 0.997 539 Q CA -0.875 54.834 55.803 -0.156 0.000 0.828 539 Q CB 0.675 29.399 28.738 -0.023 0.000 1.443 539 Q HN 0.092 nan 8.270 nan 0.000 0.390 540 F N 1.461 121.360 119.950 -0.085 0.000 2.412 540 F HA 0.336 4.863 4.527 0.000 0.000 0.348 540 F C 0.594 176.366 175.800 -0.048 0.000 1.102 540 F CA -0.391 57.558 58.000 -0.084 0.000 1.196 540 F CB 1.067 40.005 39.000 -0.104 0.000 1.144 540 F HN 0.401 nan 8.300 nan 0.000 0.541 541 M N 2.659 122.321 119.600 0.104 0.000 2.255 541 M HA 0.180 4.661 4.480 0.000 0.000 0.336 541 M C 0.166 176.513 176.300 0.078 0.000 1.135 541 M CA -0.514 54.813 55.300 0.046 0.000 1.145 541 M CB 0.733 33.318 32.600 -0.025 0.000 1.473 541 M HN 0.484 nan 8.290 nan 0.000 0.462 542 K N 1.855 122.274 120.400 0.031 0.000 2.527 542 K HA 0.044 4.364 4.320 0.000 0.000 0.278 542 K C -2.250 174.374 176.600 0.041 0.000 0.981 542 K CA -0.966 55.339 56.287 0.029 0.000 1.009 542 K CB -0.430 32.062 32.500 -0.013 0.000 0.895 542 K HN 0.302 nan 8.250 nan 0.000 0.493 543 P HA -0.024 nan 4.420 nan 0.000 0.267 543 P C 0.520 177.746 177.300 -0.123 0.000 1.209 543 P CA 0.656 63.793 63.100 0.062 0.000 0.763 543 P CB 0.723 32.449 31.700 0.044 0.000 0.816 544 G N 2.592 111.322 108.800 -0.117 0.000 2.217 544 G HA2 -0.316 3.644 3.960 0.000 0.000 0.246 544 G HA3 -0.316 3.644 3.960 0.000 0.000 0.246 544 G C 0.748 175.596 174.900 -0.087 0.000 0.990 544 G CA 0.175 45.169 45.100 -0.176 0.000 0.627 544 G HN 0.524 nan 8.290 nan 0.000 0.522 545 L N 1.118 122.309 121.223 -0.053 0.000 2.191 545 L HA 0.162 4.502 4.340 0.000 0.000 0.212 545 L C 2.829 179.682 176.870 -0.029 0.000 1.103 545 L CA 2.465 57.278 54.840 -0.046 0.000 0.769 545 L CB -0.391 41.636 42.059 -0.052 0.000 0.908 545 L HN 0.529 nan 8.230 nan 0.000 0.438 546 V N 0.077 119.981 119.914 -0.018 0.000 2.392 546 V HA -0.223 3.897 4.120 0.000 0.000 0.249 546 V C 1.546 177.561 176.094 -0.131 0.000 1.059 546 V CA 1.576 63.850 62.300 -0.043 0.000 1.051 546 V CB -0.275 31.569 31.823 0.033 0.000 0.658 546 V HN 0.507 nan 8.190 nan 0.000 0.455 547 L N -0.044 121.166 121.223 -0.021 0.000 3.548 547 L HA -0.233 4.107 4.340 0.000 0.000 0.443 547 L C 0.317 177.334 176.870 0.245 0.000 1.286 547 L CA 0.924 55.813 54.840 0.082 0.000 0.863 547 L CB -2.616 39.519 42.059 0.126 0.000 1.734 547 L HN 0.584 nan 8.230 nan 0.000 0.873 548 H N -0.795 118.378 119.070 0.171 0.000 2.510 548 H HA 0.270 4.826 4.556 0.000 0.000 0.266 548 H C 0.534 175.998 175.328 0.227 0.000 1.146 548 H CA -1.135 55.057 56.048 0.240 0.000 0.993 548 H CB 0.755 30.705 29.762 0.314 0.000 1.727 548 H HN 0.191 nan 8.280 nan 0.000 0.590 549 L N 2.210 123.571 121.223 0.230 0.000 2.640 549 L HA 0.096 4.436 4.340 0.000 0.000 0.280 549 L C 0.656 177.648 176.870 0.204 0.000 1.229 549 L CA 0.886 55.809 54.840 0.139 0.000 0.919 549 L CB 0.144 42.250 42.059 0.078 0.000 1.168 549 L HN 0.315 nan 8.230 nan 0.000 0.496 550 G N 2.031 110.959 108.800 0.214 0.000 2.680 550 G HA2 0.552 4.512 3.960 0.000 0.000 0.290 550 G HA3 0.552 4.512 3.960 0.000 0.000 0.290 550 G C 0.337 175.335 174.900 0.163 0.000 1.355 550 G CA -0.238 45.009 45.100 0.246 0.000 0.903 550 G HN 1.292 nan 8.290 nan 0.000 0.474 551 G N -1.064 107.804 108.800 0.112 0.000 2.179 551 G HA2 -0.251 3.710 3.960 0.000 0.000 0.260 551 G HA3 -0.251 3.710 3.960 0.000 0.000 0.260 551 G C 1.434 176.393 174.900 0.098 0.000 0.977 551 G CA 1.525 46.696 45.100 0.119 0.000 0.641 551 G HN 1.916 nan 8.290 nan 0.000 0.533 552 T N -1.772 112.795 114.554 0.021 0.000 2.962 552 T HA 0.071 4.421 4.350 0.000 0.000 0.270 552 T C 1.138 175.913 174.700 0.125 0.000 1.088 552 T CA 2.002 64.149 62.100 0.079 0.000 1.127 552 T CB -0.340 68.578 68.868 0.084 0.000 0.883 552 T HN 1.578 nan 8.240 nan 0.000 0.493 553 H N -0.364 118.777 119.070 0.119 0.000 2.823 553 H HA 0.446 5.002 4.556 0.000 0.000 0.222 553 H C -0.089 175.276 175.328 0.062 0.000 1.414 553 H CA -1.345 54.747 56.048 0.073 0.000 1.289 553 H CB -0.435 29.336 29.762 0.016 0.000 1.970 553 H HN 0.384 nan 8.280 nan 0.000 0.517 554 R N 0.597 121.183 120.500 0.144 0.000 2.641 554 R HA 0.282 4.622 4.340 0.000 0.000 0.269 554 R C -0.331 176.027 176.300 0.097 0.000 1.074 554 R CA -0.700 55.457 56.100 0.095 0.000 1.133 554 R CB 0.949 31.296 30.300 0.078 0.000 1.029 554 R HN 0.463 nan 8.270 nan 0.000 0.488 555 M N 1.680 121.313 119.600 0.055 0.000 2.249 555 M HA 0.420 4.900 4.480 0.000 0.000 0.351 555 M C -0.551 175.739 176.300 -0.016 0.000 1.180 555 M CA 0.246 55.552 55.300 0.010 0.000 1.127 555 M CB 1.458 34.040 32.600 -0.030 0.000 1.546 555 M HN 0.944 nan 8.290 nan 0.000 0.461 556 G N 2.408 111.209 108.800 0.003 0.000 2.600 556 G HA2 0.437 4.397 3.960 0.000 0.000 0.293 556 G HA3 0.437 4.397 3.960 0.000 0.000 0.293 556 G C -0.868 174.019 174.900 -0.023 0.000 1.408 556 G CA -0.674 44.381 45.100 -0.074 0.000 0.782 556 G HN 0.683 nan 8.290 nan 0.000 0.482 557 F N -0.116 119.924 119.950 0.149 0.000 2.234 557 F HA 0.238 4.765 4.527 0.000 0.000 0.296 557 F C 1.124 177.033 175.800 0.182 0.000 1.089 557 F CA 1.110 59.202 58.000 0.154 0.000 1.343 557 F CB 0.368 39.420 39.000 0.087 0.000 1.040 557 F HN 0.380 nan 8.300 nan 0.000 0.498 558 D N -0.913 119.634 120.400 0.245 0.000 2.593 558 D HA 0.128 4.768 4.640 0.000 0.000 0.251 558 D C 0.759 176.909 176.300 -0.249 0.000 1.140 558 D CA -0.229 53.767 54.000 -0.007 0.000 0.855 558 D CB 1.230 42.045 40.800 0.025 0.000 1.267 558 D HN 0.079 nan 8.370 nan 0.000 0.532 559 E N 3.157 122.870 120.200 -0.811 0.000 2.065 559 E HA -0.308 4.042 4.350 0.000 0.000 0.201 559 E C 1.352 177.782 176.600 -0.284 0.000 1.016 559 E CA 1.388 57.292 56.400 -0.827 0.000 0.818 559 E CB 0.265 29.310 29.700 -1.091 0.000 0.749 559 E HN 0.461 nan 8.360 nan 0.000 0.453 560 K N 0.105 120.380 120.400 -0.208 0.000 2.044 560 K HA -0.109 4.211 4.320 0.000 0.000 0.204 560 K C 2.056 178.625 176.600 -0.052 0.000 1.049 560 K CA 1.219 57.452 56.287 -0.092 0.000 0.945 560 K CB 0.049 32.509 32.500 -0.068 0.000 0.724 560 K HN 0.075 nan 8.250 nan 0.000 0.440 561 E N 0.221 120.393 120.200 -0.046 0.000 2.150 561 E HA -0.132 4.218 4.350 0.000 0.000 0.193 561 E C 0.549 177.148 176.600 -0.003 0.000 0.985 561 E CA 0.970 57.365 56.400 -0.008 0.000 0.814 561 E CB 0.197 29.905 29.700 0.013 0.000 0.752 561 E HN 0.367 nan 8.360 nan 0.000 0.466 562 D N 0.027 120.419 120.400 -0.012 0.000 2.402 562 D HA 0.065 4.705 4.640 0.000 0.000 0.216 562 D C -0.668 175.572 176.300 -0.099 0.000 1.128 562 D CA -0.050 53.938 54.000 -0.020 0.000 0.833 562 D CB 0.144 40.968 40.800 0.041 0.000 0.971 562 D HN 0.085 nan 8.370 nan 0.000 0.503 563 N N 0.718 119.358 118.700 -0.101 0.000 2.688 563 N HA -0.186 4.554 4.740 0.000 0.000 0.258 563 N C -0.286 175.155 175.510 -0.116 0.000 1.016 563 N CA 0.526 53.492 53.050 -0.141 0.000 0.747 563 N CB -1.411 36.851 38.487 -0.375 0.000 0.895 563 N HN 0.412 nan 8.380 nan 0.000 0.543 564 C N -3.484 115.825 119.300 0.016 0.000 3.285 564 C HA 0.776 5.236 4.460 0.000 0.000 0.320 564 C C 1.342 176.510 174.990 0.295 0.000 1.411 564 C CA -0.687 58.410 59.018 0.133 0.000 1.429 564 C CB 1.592 29.428 27.740 0.160 0.000 1.812 564 C HN 0.473 nan 8.230 nan 0.000 0.454 565 C N 0.270 119.765 119.300 0.325 0.000 2.937 565 C HA 0.485 4.945 4.460 0.000 0.000 0.426 565 C C 0.669 175.717 174.990 0.095 0.000 1.321 565 C CA 0.618 59.815 59.018 0.298 0.000 2.082 565 C CB -0.271 27.570 27.740 0.169 0.000 2.834 565 C HN 0.968 nan 8.230 nan 0.000 0.593 566 V N 1.495 121.365 119.914 -0.074 0.000 2.823 566 V HA 0.698 4.818 4.120 0.000 0.000 0.312 566 V C -0.697 175.080 176.094 -0.528 0.000 1.072 566 V CA -0.651 61.381 62.300 -0.447 0.000 0.937 566 V CB 1.466 33.148 31.823 -0.236 0.000 1.013 566 V HN 0.426 nan 8.190 nan 0.000 0.430 567 N N 1.365 119.580 118.700 -0.807 0.000 2.374 567 N HA 0.229 4.969 4.740 0.000 0.000 0.284 567 N C 1.077 176.454 175.510 -0.222 0.000 1.280 567 N CA 0.264 53.079 53.050 -0.391 0.000 0.963 567 N CB -0.094 38.197 38.487 -0.327 0.000 1.141 567 N HN 0.934 nan 8.380 nan 0.000 0.565 568 T N -4.807 109.662 114.554 -0.141 0.000 3.113 568 T HA 0.010 4.360 4.350 0.000 0.000 0.263 568 T C 0.141 174.765 174.700 -0.126 0.000 1.143 568 T CA 0.555 62.567 62.100 -0.147 0.000 1.090 568 T CB -0.408 68.384 68.868 -0.127 0.000 0.922 568 T HN 0.431 nan 8.240 nan 0.000 0.521 569 D N 1.208 121.522 120.400 -0.144 0.000 2.328 569 D HA 0.160 4.800 4.640 0.000 0.000 0.226 569 D C 0.603 176.896 176.300 -0.012 0.000 1.066 569 D CA 0.169 54.099 54.000 -0.118 0.000 0.861 569 D CB 0.033 40.636 40.800 -0.329 0.000 0.912 569 D HN 0.357 nan 8.370 nan 0.000 0.521 570 S N 0.141 115.802 115.700 -0.065 0.000 3.476 570 S HA -0.257 4.213 4.470 0.000 0.000 0.309 570 S C 0.544 175.108 174.600 -0.061 0.000 1.222 570 S CA 0.447 58.640 58.200 -0.012 0.000 0.922 570 S CB -1.368 61.900 63.200 0.113 0.000 1.023 570 S HN 0.475 nan 8.310 nan 0.000 0.591 571 R N 1.266 121.598 120.500 -0.280 0.000 2.297 571 R HA 0.460 4.800 4.340 0.000 0.000 0.308 571 R C -0.059 175.897 176.300 -0.573 0.000 1.029 571 R CA -0.432 55.303 56.100 -0.608 0.000 0.929 571 R CB 0.684 30.574 30.300 -0.683 0.000 1.046 571 R HN 0.134 nan 8.270 nan 0.000 0.461 572 V N 6.371 125.989 119.914 -0.494 0.000 2.493 572 V HA -0.022 4.098 4.120 0.000 0.000 0.292 572 V C 0.188 176.185 176.094 -0.162 0.000 1.016 572 V CA 0.278 62.368 62.300 -0.350 0.000 1.097 572 V CB -0.319 31.286 31.823 -0.364 0.000 0.947 572 V HN 0.563 nan 8.190 nan 0.000 0.479 573 F N 4.049 124.025 119.950 0.042 0.000 2.612 573 F HA 0.362 4.889 4.527 0.000 0.000 0.389 573 F C 1.598 177.523 175.800 0.209 0.000 1.055 573 F CA 1.512 59.567 58.000 0.093 0.000 1.232 573 F CB -0.240 38.810 39.000 0.083 0.000 1.044 573 F HN 0.802 nan 8.300 nan 0.000 0.560 574 G N 2.224 111.208 108.800 0.307 0.000 2.253 574 G HA2 -0.303 3.657 3.960 0.000 0.000 0.251 574 G HA3 -0.303 3.657 3.960 0.000 0.000 0.251 574 G C -0.076 174.767 174.900 -0.095 0.000 0.998 574 G CA -0.451 44.724 45.100 0.126 0.000 0.621 574 G HN 0.435 nan 8.290 nan 0.000 0.524 575 F N 1.219 121.191 119.950 0.036 0.000 2.411 575 F HA 0.614 5.141 4.527 0.000 0.000 0.352 575 F C 1.373 177.159 175.800 -0.024 0.000 1.123 575 F CA -1.027 56.981 58.000 0.013 0.000 1.044 575 F CB 1.654 40.662 39.000 0.013 0.000 1.135 575 F HN -0.250 nan 8.300 nan 0.000 0.461 576 K N 1.867 122.351 120.400 0.140 0.000 2.147 576 K HA -0.096 4.224 4.320 0.000 0.000 0.205 576 K C 0.812 177.614 176.600 0.335 0.000 1.049 576 K CA 1.067 57.479 56.287 0.208 0.000 0.936 576 K CB -0.076 32.548 32.500 0.206 0.000 0.722 576 K HN 0.681 nan 8.250 nan 0.000 0.446 577 N N -0.172 118.696 118.700 0.280 0.000 2.387 577 N HA 0.033 4.773 4.740 0.000 0.000 0.259 577 N C -0.784 174.853 175.510 0.211 0.000 1.369 577 N CA -0.352 52.911 53.050 0.354 0.000 0.867 577 N CB -0.122 38.633 38.487 0.447 0.000 1.341 577 N HN -0.069 nan 8.380 nan 0.000 0.495 578 L N 0.544 121.679 121.223 -0.146 0.000 2.381 578 L HA 0.734 5.074 4.340 0.000 0.000 0.274 578 L C -1.861 174.639 176.870 -0.616 0.000 0.988 578 L CA -0.605 54.120 54.840 -0.192 0.000 0.824 578 L CB 1.094 43.030 42.059 -0.205 0.000 1.263 578 L HN -0.027 nan 8.230 nan 0.000 0.410 579 F N 4.796 124.659 119.950 -0.145 0.000 2.576 579 F HA 0.678 5.205 4.527 0.000 0.000 0.313 579 F C -0.650 174.995 175.800 -0.257 0.000 1.078 579 F CA -0.686 57.208 58.000 -0.177 0.000 0.921 579 F CB 1.904 40.828 39.000 -0.127 0.000 1.232 579 F HN 0.200 nan 8.300 nan 0.000 0.459 580 L N 1.830 122.999 121.223 -0.089 0.000 2.346 580 L HA 0.897 5.237 4.340 0.000 0.000 0.276 580 L C 0.025 176.881 176.870 -0.023 0.000 1.006 580 L CA -0.797 53.916 54.840 -0.210 0.000 0.817 580 L CB 1.948 43.716 42.059 -0.485 0.000 1.272 580 L HN 0.787 nan 8.230 nan 0.000 0.421 581 G N 0.309 109.111 108.800 0.003 0.000 2.519 581 G HA2 0.807 4.767 3.960 0.000 0.000 0.307 581 G HA3 0.807 4.767 3.960 0.000 0.000 0.307 581 G C -0.510 174.503 174.900 0.189 0.000 1.266 581 G CA -0.256 44.951 45.100 0.179 0.000 0.970 581 G HN 0.971 nan 8.290 nan 0.000 0.481 582 G N -1.324 107.584 108.800 0.182 0.000 2.331 582 G HA2 0.049 4.009 3.960 0.000 0.000 0.402 582 G HA3 0.049 4.009 3.960 0.000 0.000 0.402 582 G C 0.757 175.710 174.900 0.089 0.000 1.275 582 G CA 0.120 45.301 45.100 0.135 0.000 1.003 582 G HN 1.160 nan 8.290 nan 0.000 0.500 583 C N 0.751 120.079 119.300 0.048 0.000 2.432 583 C HA 0.246 4.706 4.460 0.000 0.000 0.282 583 C C 2.983 177.952 174.990 -0.036 0.000 1.388 583 C CA 1.748 60.774 59.018 0.013 0.000 1.777 583 C CB -1.264 26.514 27.740 0.062 0.000 1.882 583 C HN 1.236 nan 8.230 nan 0.000 0.520 584 G N 1.013 109.696 108.800 -0.195 0.000 2.498 584 G HA2 -0.190 3.770 3.960 0.000 0.000 0.219 584 G HA3 -0.190 3.770 3.960 0.000 0.000 0.219 584 G C 1.425 175.980 174.900 -0.575 0.000 1.119 584 G CA 0.611 45.344 45.100 -0.611 0.000 0.766 584 G HN 0.533 nan 8.290 nan 0.000 0.552 585 N N 0.309 118.883 118.700 -0.210 0.000 2.409 585 N HA 0.038 4.778 4.740 0.000 0.000 0.179 585 N C 0.898 176.429 175.510 0.034 0.000 1.032 585 N CA 0.108 53.176 53.050 0.031 0.000 0.898 585 N CB 0.072 38.628 38.487 0.115 0.000 0.971 585 N HN 0.294 nan 8.380 nan 0.000 0.441 586 I N 3.094 123.687 120.570 0.039 0.000 2.517 586 I HA 0.031 4.201 4.170 0.000 0.000 0.285 586 I C -1.374 174.840 176.117 0.162 0.000 1.106 586 I CA -0.889 60.468 61.300 0.096 0.000 1.402 586 I CB 1.194 39.227 38.000 0.055 0.000 1.399 586 I HN -0.062 nan 8.210 nan 0.000 0.535 587 P HA 0.071 nan 4.420 nan 0.000 0.267 587 P C 0.228 177.612 177.300 0.141 0.000 1.289 587 P CA 0.149 63.319 63.100 0.118 0.000 0.866 587 P CB 0.259 31.988 31.700 0.048 0.000 1.309 588 T N -2.311 112.364 114.554 0.202 0.000 2.897 588 T HA 0.693 5.043 4.350 0.000 0.000 0.278 588 T C 0.133 174.944 174.700 0.185 0.000 0.981 588 T CA -0.861 61.341 62.100 0.170 0.000 0.973 588 T CB 1.246 70.199 68.868 0.142 0.000 1.092 588 T HN 0.045 nan 8.240 nan 0.000 0.543 589 A N 1.704 124.568 122.820 0.074 0.000 2.269 589 A HA 0.628 4.948 4.320 0.000 0.000 0.302 589 A C -0.728 176.795 177.584 -0.102 0.000 1.266 589 A CA -0.887 51.136 52.037 -0.024 0.000 0.894 589 A CB -0.773 18.245 19.000 0.030 0.000 1.147 589 A HN 0.908 nan 8.150 nan 0.000 0.537 590 Y N -0.291 119.916 120.300 -0.156 0.000 2.477 590 Y HA 0.698 5.248 4.550 0.000 0.000 0.347 590 Y C 0.683 176.449 175.900 -0.224 0.000 0.981 590 Y CA -0.618 57.199 58.100 -0.472 0.000 1.033 590 Y CB 1.407 39.367 38.460 -0.833 0.000 1.245 590 Y HN 0.410 nan 8.280 nan 0.000 0.455 591 G N 0.904 109.619 108.800 -0.143 0.000 2.673 591 G HA2 0.377 4.337 3.960 0.000 0.000 0.208 591 G HA3 0.377 4.337 3.960 0.000 0.000 0.208 591 G C 0.467 175.471 174.900 0.172 0.000 1.128 591 G CA 0.187 45.419 45.100 0.221 0.000 0.805 591 G HN 0.953 nan 8.290 nan 0.000 0.526 592 A N 0.732 123.464 122.820 -0.147 0.000 2.346 592 A HA 0.466 4.786 4.320 0.000 0.000 0.252 592 A C -0.059 177.413 177.584 -0.186 0.000 1.089 592 A CA -0.486 51.339 52.037 -0.353 0.000 0.797 592 A CB 0.041 18.834 19.000 -0.346 0.000 1.047 592 A HN 0.372 nan 8.150 nan 0.000 0.494 593 N N 1.928 120.390 118.700 -0.397 0.000 2.468 593 N HA 0.238 4.978 4.740 0.000 0.000 0.265 593 N C -2.035 173.360 175.510 -0.192 0.000 1.199 593 N CA -0.841 51.959 53.050 -0.416 0.000 0.928 593 N CB 0.466 38.794 38.487 -0.265 0.000 1.059 593 N HN 0.410 nan 8.380 nan 0.000 0.467 594 P HA 0.000 nan 4.420 nan 0.000 0.240 594 P C 0.456 177.642 177.300 -0.189 0.000 1.190 594 P CA 0.615 63.581 63.100 -0.223 0.000 0.781 594 P CB 0.324 31.850 31.700 -0.290 0.000 0.931 595 T N 0.906 115.427 114.554 -0.055 0.000 2.746 595 T HA -0.129 4.222 4.350 0.000 0.000 0.267 595 T C 1.749 176.526 174.700 0.128 0.000 1.039 595 T CA 0.953 63.081 62.100 0.047 0.000 1.142 595 T CB -0.766 68.158 68.868 0.094 0.000 0.866 595 T HN 0.023 nan 8.240 nan 0.000 0.444 596 L N 1.112 122.432 121.223 0.162 0.000 2.083 596 L HA -0.077 4.263 4.340 0.000 0.000 0.209 596 L C 2.501 179.453 176.870 0.136 0.000 1.083 596 L CA 1.709 56.705 54.840 0.259 0.000 0.752 596 L CB -1.059 41.136 42.059 0.227 0.000 0.899 596 L HN 0.185 nan 8.230 nan 0.000 0.433 597 T N -0.307 114.201 114.554 -0.077 0.000 2.708 597 T HA -0.173 4.177 4.350 0.000 0.000 0.266 597 T C 1.915 176.537 174.700 -0.130 0.000 1.037 597 T CA 1.335 63.301 62.100 -0.223 0.000 1.146 597 T CB -0.543 67.789 68.868 -0.893 0.000 0.865 597 T HN 0.520 nan 8.240 nan 0.000 0.435 598 A N 1.469 124.213 122.820 -0.126 0.000 1.902 598 A HA -0.075 4.245 4.320 0.000 0.000 0.217 598 A C 2.317 179.869 177.584 -0.053 0.000 1.181 598 A CA 1.856 53.857 52.037 -0.061 0.000 0.623 598 A CB -0.744 18.238 19.000 -0.030 0.000 0.818 598 A HN 0.532 nan 8.150 nan 0.000 0.443 599 M N -0.199 119.379 119.600 -0.036 0.000 2.086 599 M HA -0.157 4.323 4.480 0.000 0.000 0.261 599 M C 2.176 178.391 176.300 -0.142 0.000 1.067 599 M CA 2.175 57.427 55.300 -0.081 0.000 1.116 599 M CB -0.205 32.356 32.600 -0.065 0.000 1.348 599 M HN 0.383 nan 8.290 nan 0.000 0.407 600 S N 1.274 116.889 115.700 -0.142 0.000 2.365 600 S HA -0.187 4.283 4.470 0.000 0.000 0.225 600 S C 1.748 176.150 174.600 -0.330 0.000 1.039 600 S CA 1.712 59.755 58.200 -0.263 0.000 1.033 600 S CB -0.693 62.298 63.200 -0.348 0.000 0.887 600 S HN 0.528 nan 8.310 nan 0.000 0.447 601 L N 1.050 122.116 121.223 -0.262 0.000 2.083 601 L HA -0.129 4.211 4.340 0.000 0.000 0.209 601 L C 2.781 179.516 176.870 -0.224 0.000 1.083 601 L CA 1.152 55.845 54.840 -0.246 0.000 0.752 601 L CB -0.716 41.267 42.059 -0.127 0.000 0.899 601 L HN 0.330 nan 8.230 nan 0.000 0.433 602 A N 0.347 123.029 122.820 -0.229 0.000 1.933 602 A HA -0.162 4.158 4.320 0.000 0.000 0.218 602 A C 2.232 179.507 177.584 -0.515 0.000 1.175 602 A CA 1.443 53.231 52.037 -0.415 0.000 0.628 602 A CB -0.627 18.126 19.000 -0.410 0.000 0.814 602 A HN 0.345 nan 8.150 nan 0.000 0.444 603 I N -0.515 119.843 120.570 -0.353 0.000 2.179 603 I HA -0.287 3.883 4.170 0.000 0.000 0.242 603 I C 2.537 178.493 176.117 -0.267 0.000 1.088 603 I CA 1.919 63.045 61.300 -0.290 0.000 1.357 603 I CB -0.247 37.605 38.000 -0.247 0.000 1.051 603 I HN 0.363 nan 8.210 nan 0.000 0.409 604 K N 0.492 120.729 120.400 -0.271 0.000 2.063 604 K HA -0.237 4.084 4.320 0.000 0.000 0.208 604 K C 2.370 178.885 176.600 -0.141 0.000 1.048 604 K CA 1.877 58.034 56.287 -0.217 0.000 0.928 604 K CB -0.139 32.199 32.500 -0.270 0.000 0.713 604 K HN 0.167 nan 8.250 nan 0.000 0.442 605 S N -0.016 115.584 115.700 -0.167 0.000 2.356 605 S HA -0.167 4.303 4.470 0.000 0.000 0.223 605 S C 2.074 176.593 174.600 -0.136 0.000 1.032 605 S CA 1.496 59.646 58.200 -0.083 0.000 1.005 605 S CB -0.509 62.679 63.200 -0.021 0.000 0.867 605 S HN 0.573 nan 8.310 nan 0.000 0.449 606 C N 1.587 120.716 119.300 -0.285 0.000 2.411 606 C HA -0.007 4.453 4.460 0.000 0.000 0.279 606 C C 2.515 177.422 174.990 -0.138 0.000 1.288 606 C CA 0.778 59.643 59.018 -0.255 0.000 1.764 606 C CB -1.542 26.009 27.740 -0.315 0.000 1.974 606 C HN 0.684 nan 8.230 nan 0.000 0.498 607 E N -0.618 119.526 120.200 -0.093 0.000 2.077 607 E HA -0.241 4.110 4.350 0.000 0.000 0.193 607 E C 1.835 178.442 176.600 0.012 0.000 0.989 607 E CA 1.403 57.779 56.400 -0.041 0.000 0.800 607 E CB -0.291 29.380 29.700 -0.048 0.000 0.746 607 E HN 0.838 nan 8.360 nan 0.000 0.452 608 Y N 1.207 121.477 120.300 -0.051 0.000 2.145 608 Y HA -0.200 4.350 4.550 0.000 0.000 0.286 608 Y C 1.979 177.910 175.900 0.051 0.000 1.145 608 Y CA 1.459 59.573 58.100 0.023 0.000 1.148 608 Y CB -0.089 38.422 38.460 0.085 0.000 0.981 608 Y HN -0.066 nan 8.280 nan 0.000 0.507 609 I N 0.371 120.977 120.570 0.061 0.000 2.226 609 I HA -0.331 3.839 4.170 0.000 0.000 0.245 609 I C 2.249 178.392 176.117 0.043 0.000 1.100 609 I CA 1.643 62.952 61.300 0.014 0.000 1.374 609 I CB -0.387 37.406 38.000 -0.346 0.000 1.057 609 I HN 0.171 nan 8.210 nan 0.000 0.413 610 K N 0.328 120.716 120.400 -0.019 0.000 2.209 610 K HA -0.186 4.134 4.320 0.000 0.000 0.204 610 K C 1.850 178.490 176.600 0.065 0.000 1.048 610 K CA 1.109 57.455 56.287 0.100 0.000 0.940 610 K CB -0.089 32.451 32.500 0.067 0.000 0.729 610 K HN 0.469 nan 8.250 nan 0.000 0.451 611 Q N -0.392 119.377 119.800 -0.052 0.000 2.392 611 Q HA 0.084 4.424 4.340 0.000 0.000 0.203 611 Q C 0.804 176.684 176.000 -0.201 0.000 0.917 611 Q CA 0.310 56.044 55.803 -0.115 0.000 0.939 611 Q CB 0.524 29.171 28.738 -0.152 0.000 1.063 611 Q HN 0.268 nan 8.270 nan 0.000 0.516 612 N N -0.898 117.659 118.700 -0.238 0.000 2.145 612 N HA 0.161 4.901 4.740 0.000 0.000 0.219 612 N C -0.932 174.191 175.510 -0.644 0.000 1.266 612 N CA 0.276 53.049 53.050 -0.462 0.000 0.902 612 N CB 1.081 39.134 38.487 -0.723 0.000 1.078 612 N HN -0.008 nan 8.380 nan 0.000 0.513 613 F N 0.287 120.249 119.950 0.021 0.000 2.591 613 F HA 0.358 4.886 4.527 0.000 0.000 0.309 613 F C -0.024 175.896 175.800 0.200 0.000 1.098 613 F CA -0.688 57.382 58.000 0.116 0.000 0.937 613 F CB 1.947 41.029 39.000 0.137 0.000 1.250 613 F HN -0.389 nan 8.300 nan 0.000 0.447 614 T N 3.324 118.054 114.554 0.293 0.000 2.794 614 T HA 0.463 4.813 4.350 0.000 0.000 0.280 614 T C -2.627 172.088 174.700 0.025 0.000 0.987 614 T CA -1.477 60.688 62.100 0.108 0.000 0.993 614 T CB 1.413 70.302 68.868 0.034 0.000 0.939 614 T HN 0.116 nan 8.240 nan 0.000 0.449 615 P HA 0.193 nan 4.420 nan 0.000 0.271 615 P C -0.078 177.132 177.300 -0.151 0.000 1.218 615 P CA -0.526 62.319 63.100 -0.424 0.000 0.780 615 P CB 0.335 31.589 31.700 -0.744 0.000 0.901 616 S N 2.456 118.108 115.700 -0.081 0.000 2.584 616 S HA 0.360 4.830 4.470 0.000 0.000 0.270 616 S C -2.219 172.358 174.600 -0.038 0.000 1.346 616 S CA -0.951 57.226 58.200 -0.039 0.000 1.018 616 S CB -0.866 62.316 63.200 -0.031 0.000 0.899 616 S HN 0.276 nan 8.310 nan 0.000 0.542 617 P HA 0.210 nan 4.420 nan 0.000 0.271 617 P C -0.791 176.577 177.300 0.114 0.000 1.218 617 P CA -0.532 62.594 63.100 0.044 0.000 0.780 617 P CB 0.124 31.848 31.700 0.041 0.000 0.901 618 F N 2.657 122.589 119.950 -0.030 0.000 2.566 618 F HA 0.279 4.806 4.527 0.000 0.000 0.349 618 F C 0.445 176.235 175.800 -0.016 0.000 1.245 618 F CA -0.004 57.984 58.000 -0.020 0.000 1.169 618 F CB -0.906 38.084 39.000 -0.016 0.000 1.470 618 F HN 0.121 nan 8.300 nan 0.000 0.634 619 T N 0.000 114.771 114.554 0.362 0.000 3.816 619 T HA 0.000 4.350 4.350 0.000 0.000 0.228 619 T CA 0.000 62.230 62.100 0.217 0.000 1.349 619 T CB 0.000 68.926 68.868 0.097 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658