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 3bg7_1_B 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 LPGSGPQFME 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 0.000 176.247 176.300 -0.089 0.000 1.140 43 M CA 0.000 55.260 55.300 -0.066 0.000 0.988 43 M CB 0.000 32.430 32.600 -0.283 0.000 1.302 44 D N 1.967 122.358 120.400 -0.015 0.000 2.466 44 D HA 0.583 5.223 4.640 -0.001 0.000 0.262 44 D C 0.857 177.087 176.300 -0.117 0.000 1.177 44 D CA -0.479 53.463 54.000 -0.096 0.000 1.035 44 D CB 0.963 41.679 40.800 -0.141 0.000 1.105 44 D HN 0.412 nan 8.370 nan 0.000 0.551 45 I N -3.259 117.200 120.570 -0.186 0.000 4.240 45 I HA 0.387 4.557 4.170 -0.001 0.000 0.331 45 I C -0.222 175.810 176.117 -0.143 0.000 1.381 45 I CA -0.203 61.045 61.300 -0.087 0.000 1.136 45 I CB -1.362 36.620 38.000 -0.029 0.000 1.137 45 I HN 0.228 nan 8.210 nan 0.000 0.411 46 K N 1.411 121.574 120.400 -0.395 0.000 2.413 46 K HA 0.617 4.936 4.320 -0.001 0.000 0.257 46 K C -2.041 174.226 176.600 -0.556 0.000 0.946 46 K CA -0.314 55.790 56.287 -0.304 0.000 0.823 46 K CB 1.220 33.619 32.500 -0.167 0.000 1.109 46 K HN 0.087 nan 8.250 nan 0.000 0.427 47 Y N 1.391 121.694 120.300 0.005 0.000 2.576 47 Y HA 0.247 4.796 4.550 -0.001 0.000 0.346 47 Y C 0.686 176.581 175.900 -0.009 0.000 1.018 47 Y CA -0.806 57.295 58.100 0.001 0.000 1.050 47 Y CB 2.048 40.509 38.460 0.001 0.000 1.280 47 Y HN 0.610 nan 8.280 nan 0.000 0.474 48 D N 0.351 120.859 120.400 0.179 0.000 2.097 48 D HA -0.003 4.636 4.640 -0.001 0.000 0.197 48 D C -0.280 176.033 176.300 0.021 0.000 0.984 48 D CA 1.521 55.608 54.000 0.144 0.000 0.826 48 D CB 0.259 41.227 40.800 0.280 0.000 0.973 48 D HN 0.106 nan 8.370 nan 0.000 0.460 49 V N 1.009 120.925 119.914 0.004 0.000 2.686 49 V HA 0.338 4.457 4.120 -0.001 0.000 0.306 49 V C -0.399 175.619 176.094 -0.127 0.000 1.065 49 V CA -1.018 61.194 62.300 -0.146 0.000 0.894 49 V CB 2.533 34.244 31.823 -0.187 0.000 1.004 49 V HN -0.014 nan 8.190 nan 0.000 0.424 50 V N 3.151 122.950 119.914 -0.192 0.000 2.495 50 V HA 0.753 4.872 4.120 -0.001 0.000 0.298 50 V C -0.600 175.453 176.094 -0.068 0.000 1.031 50 V CA -0.597 61.653 62.300 -0.085 0.000 0.871 50 V CB 1.654 33.511 31.823 0.056 0.000 0.988 50 V HN 0.678 nan 8.190 nan 0.000 0.432 51 I N 4.227 124.775 120.570 -0.035 0.000 2.433 51 I HA 0.505 4.674 4.170 -0.001 0.000 0.292 51 I C -0.537 175.610 176.117 0.051 0.000 1.001 51 I CA -0.984 60.282 61.300 -0.056 0.000 1.119 51 I CB 2.267 40.217 38.000 -0.084 0.000 1.289 51 I HN 0.431 nan 8.210 nan 0.000 0.438 52 V N 5.264 125.196 119.914 0.029 0.000 2.348 52 V HA 0.789 4.908 4.120 -0.001 0.000 0.270 52 V C 0.443 176.553 176.094 0.027 0.000 1.037 52 V CA -0.290 62.050 62.300 0.066 0.000 0.872 52 V CB 0.494 32.331 31.823 0.024 0.000 1.002 52 V HN 1.069 nan 8.190 nan 0.000 0.464 53 G N 3.864 112.693 108.800 0.049 0.000 3.055 53 G HA2 -0.001 3.959 3.960 -0.001 0.000 0.685 53 G HA3 -0.001 3.959 3.960 -0.001 0.000 0.685 53 G C -0.102 174.818 174.900 0.034 0.000 1.212 53 G CA -0.268 44.851 45.100 0.031 0.000 0.822 53 G HN 1.264 nan 8.290 nan 0.000 0.610 54 S N 1.076 116.798 115.700 0.037 0.000 2.562 54 S HA 0.617 5.086 4.470 -0.001 0.000 0.246 54 S C 1.241 175.857 174.600 0.027 0.000 1.056 54 S CA 0.653 58.881 58.200 0.047 0.000 1.042 54 S CB 0.653 63.892 63.200 0.065 0.000 0.822 54 S HN 1.887 nan 8.310 nan 0.000 0.465 55 G N 2.550 111.355 108.800 0.009 0.000 2.611 55 G HA2 0.417 4.376 3.960 -0.001 0.000 0.273 55 G HA3 0.417 4.376 3.960 -0.001 0.000 0.273 55 G C -1.280 173.603 174.900 -0.029 0.000 1.305 55 G CA -1.453 43.634 45.100 -0.022 0.000 1.010 55 G HN 0.237 nan 8.290 nan 0.000 0.509 56 P HA -0.063 nan 4.420 nan 0.000 0.222 56 P C 1.653 178.900 177.300 -0.089 0.000 1.147 56 P CA 0.721 63.778 63.100 -0.073 0.000 0.790 56 P CB 0.191 31.868 31.700 -0.038 0.000 0.780 57 I N -0.152 120.399 120.570 -0.032 0.000 2.339 57 I HA -0.003 4.166 4.170 -0.001 0.000 0.245 57 I C 2.671 178.845 176.117 0.095 0.000 1.096 57 I CA 1.489 62.800 61.300 0.019 0.000 1.408 57 I CB -2.241 35.796 38.000 0.061 0.000 1.092 57 I HN -0.006 nan 8.210 nan 0.000 0.423 58 G N 0.513 109.353 108.800 0.066 0.000 2.469 58 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.220 58 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.220 58 G C 1.762 176.669 174.900 0.013 0.000 1.136 58 G CA 1.109 46.242 45.100 0.055 0.000 0.759 58 G HN 0.406 nan 8.290 nan 0.000 0.562 59 C N 0.587 119.870 119.300 -0.028 0.000 2.432 59 C HA 0.024 4.484 4.460 -0.001 0.000 0.280 59 C C 3.182 178.049 174.990 -0.205 0.000 1.353 59 C CA 1.322 60.282 59.018 -0.097 0.000 1.766 59 C CB -1.016 26.714 27.740 -0.017 0.000 1.924 59 C HN 0.461 nan 8.230 nan 0.000 0.509 60 T N 0.258 114.714 114.554 -0.164 0.000 2.652 60 T HA -0.200 4.149 4.350 -0.001 0.000 0.267 60 T C 1.475 176.017 174.700 -0.264 0.000 1.039 60 T CA 1.803 63.774 62.100 -0.215 0.000 1.153 60 T CB -0.498 68.262 68.868 -0.180 0.000 0.863 60 T HN 0.555 nan 8.240 nan 0.000 0.428 61 Y N 1.494 121.660 120.300 -0.222 0.000 2.165 61 Y HA -0.110 4.439 4.550 -0.001 0.000 0.286 61 Y C 2.764 178.456 175.900 -0.347 0.000 1.155 61 Y CA 1.017 58.967 58.100 -0.250 0.000 1.164 61 Y CB -0.715 37.617 38.460 -0.214 0.000 0.978 61 Y HN 0.212 nan 8.280 nan 0.000 0.513 62 A N 0.085 122.726 122.820 -0.299 0.000 1.877 62 A HA -0.230 4.089 4.320 -0.001 0.000 0.216 62 A C 2.282 179.307 177.584 -0.931 0.000 1.186 62 A CA 1.812 53.441 52.037 -0.680 0.000 0.620 62 A CB -0.749 17.626 19.000 -1.040 0.000 0.822 62 A HN 0.439 nan 8.150 nan 0.000 0.443 63 R N -0.464 119.534 120.500 -0.838 0.000 2.091 63 R HA -0.155 4.184 4.340 -0.001 0.000 0.238 63 R C 1.939 178.017 176.300 -0.371 0.000 1.136 63 R CA 1.699 57.426 56.100 -0.621 0.000 0.959 63 R CB -0.186 29.796 30.300 -0.531 0.000 0.856 63 R HN 0.544 nan 8.270 nan 0.000 0.437 64 E N 0.371 120.391 120.200 -0.300 0.000 2.046 64 E HA -0.141 4.208 4.350 -0.001 0.000 0.190 64 E C 2.110 178.640 176.600 -0.116 0.000 0.982 64 E CA 1.049 57.351 56.400 -0.164 0.000 0.800 64 E CB -0.022 29.576 29.700 -0.169 0.000 0.756 64 E HN 0.409 nan 8.360 nan 0.000 0.449 65 L N 0.347 121.471 121.223 -0.165 0.000 2.249 65 L HA -0.045 4.294 4.340 -0.001 0.000 0.207 65 L C 2.483 179.396 176.870 0.071 0.000 1.090 65 L CA 0.207 54.998 54.840 -0.081 0.000 0.802 65 L CB -0.166 41.734 42.059 -0.264 0.000 0.947 65 L HN -0.063 nan 8.230 nan 0.000 0.453 66 V N 0.443 120.311 119.914 -0.076 0.000 2.343 66 V HA -0.203 3.916 4.120 -0.001 0.000 0.247 66 V C 2.606 178.724 176.094 0.040 0.000 1.051 66 V CA 2.083 64.382 62.300 -0.002 0.000 1.036 66 V CB -1.246 30.498 31.823 -0.131 0.000 0.654 66 V HN 0.560 nan 8.190 nan 0.000 0.451 67 G N -0.470 108.323 108.800 -0.012 0.000 2.422 67 G HA2 -0.116 3.843 3.960 -0.001 0.000 0.218 67 G HA3 -0.116 3.843 3.960 -0.001 0.000 0.218 67 G C 1.523 176.441 174.900 0.029 0.000 1.140 67 G CA 0.777 45.880 45.100 0.006 0.000 0.775 67 G HN 0.628 nan 8.290 nan 0.000 0.545 68 A N -0.347 122.521 122.820 0.080 0.000 2.235 68 A HA 0.461 4.780 4.320 -0.001 0.000 0.208 68 A C 1.959 179.554 177.584 0.018 0.000 1.172 68 A CA 1.315 53.413 52.037 0.101 0.000 0.786 68 A CB -0.461 18.684 19.000 0.242 0.000 0.804 68 A HN 1.563 nan 8.150 nan 0.000 0.479 69 G N -2.569 106.253 108.800 0.038 0.000 2.159 69 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.227 69 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.227 69 G C -0.040 174.827 174.900 -0.055 0.000 0.986 69 G CA 0.067 45.145 45.100 -0.036 0.000 0.651 69 G HN 0.404 nan 8.290 nan 0.000 0.523 70 Y N 0.628 120.954 120.300 0.043 0.000 2.336 70 Y HA 0.437 4.986 4.550 -0.001 0.000 0.331 70 Y C 1.065 177.018 175.900 0.089 0.000 1.211 70 Y CA 0.194 58.328 58.100 0.055 0.000 1.346 70 Y CB 0.766 39.239 38.460 0.021 0.000 1.271 70 Y HN 0.119 nan 8.280 nan 0.000 0.538 71 K N 2.769 123.322 120.400 0.255 0.000 2.284 71 K HA 0.464 4.784 4.320 -0.001 0.000 0.287 71 K C -1.656 175.093 176.600 0.248 0.000 1.081 71 K CA -0.191 56.237 56.287 0.235 0.000 0.910 71 K CB 0.166 32.781 32.500 0.192 0.000 1.088 71 K HN 0.507 nan 8.250 nan 0.000 0.478 72 V N 3.299 123.330 119.914 0.196 0.000 2.540 72 V HA 0.618 4.738 4.120 -0.001 0.000 0.302 72 V C -0.491 175.486 176.094 -0.195 0.000 1.035 72 V CA -0.927 61.417 62.300 0.073 0.000 0.873 72 V CB 1.498 33.419 31.823 0.164 0.000 0.992 72 V HN 0.921 nan 8.190 nan 0.000 0.428 73 A N 5.636 128.187 122.820 -0.448 0.000 2.350 73 A HA 0.956 5.275 4.320 -0.001 0.000 0.324 73 A C -0.683 176.532 177.584 -0.614 0.000 1.118 73 A CA -0.623 50.911 52.037 -0.839 0.000 0.783 73 A CB 1.635 19.821 19.000 -1.356 0.000 1.236 73 A HN 0.916 nan 8.150 nan 0.000 0.457 74 M N 2.194 121.344 119.600 -0.751 0.000 2.395 74 M HA 0.739 5.218 4.480 -0.001 0.000 0.307 74 M C -2.205 173.752 176.300 -0.572 0.000 1.091 74 M CA -0.427 54.627 55.300 -0.410 0.000 0.919 74 M CB 1.248 33.805 32.600 -0.073 0.000 1.662 74 M HN 0.591 nan 8.290 nan 0.000 0.440 75 F N 2.454 122.401 119.950 -0.005 0.000 2.482 75 F HA 0.546 5.072 4.527 -0.001 0.000 0.331 75 F C -0.204 175.600 175.800 0.005 0.000 1.115 75 F CA -0.541 57.476 58.000 0.028 0.000 0.955 75 F CB 1.489 40.488 39.000 -0.001 0.000 1.136 75 F HN 0.457 nan 8.300 nan 0.000 0.452 76 D N 3.017 123.510 120.400 0.156 0.000 2.780 76 D HA 0.245 4.884 4.640 -0.001 0.000 0.242 76 D C 0.512 176.845 176.300 0.054 0.000 1.135 76 D CA -0.344 53.704 54.000 0.079 0.000 0.859 76 D CB 2.491 43.319 40.800 0.047 0.000 1.530 76 D HN 0.648 nan 8.370 nan 0.000 0.493 77 I N 1.875 122.434 120.570 -0.018 0.000 2.676 77 I HA 0.048 4.217 4.170 -0.001 0.000 0.259 77 I C 1.121 177.211 176.117 -0.044 0.000 1.194 77 I CA 0.674 61.926 61.300 -0.079 0.000 1.473 77 I CB 0.154 37.998 38.000 -0.259 0.000 1.096 77 I HN 0.328 nan 8.210 nan 0.000 0.443 78 G N 0.093 108.880 108.800 -0.021 0.000 2.535 78 G HA2 0.384 4.343 3.960 -0.001 0.000 0.303 78 G HA3 0.384 4.343 3.960 -0.001 0.000 0.303 78 G C -0.840 174.081 174.900 0.035 0.000 1.237 78 G CA -0.420 44.690 45.100 0.016 0.000 0.986 78 G HN 0.308 nan 8.290 nan 0.000 0.494 79 E N -1.306 118.920 120.200 0.044 0.000 2.281 79 E HA 0.365 4.714 4.350 -0.001 0.000 0.262 79 E C -0.495 176.132 176.600 0.044 0.000 0.933 79 E CA -0.774 55.653 56.400 0.045 0.000 0.809 79 E CB 2.532 32.261 29.700 0.048 0.000 1.242 79 E HN 0.268 nan 8.360 nan 0.000 0.418 80 I N 2.604 123.198 120.570 0.040 0.000 2.517 80 I HA -0.001 4.168 4.170 -0.001 0.000 0.285 80 I C -0.227 175.920 176.117 0.050 0.000 1.106 80 I CA 0.636 61.961 61.300 0.042 0.000 1.402 80 I CB 0.079 38.098 38.000 0.032 0.000 1.399 80 I HN 0.545 nan 8.210 nan 0.000 0.535 81 D N 2.409 122.845 120.400 0.060 0.000 3.120 81 D HA 0.029 4.668 4.640 -0.001 0.000 0.331 81 D C -0.112 176.242 176.300 0.091 0.000 1.595 81 D CA -0.310 53.732 54.000 0.069 0.000 0.771 81 D CB -0.133 40.708 40.800 0.067 0.000 1.274 81 D HN 0.194 nan 8.370 nan 0.000 0.503 82 S N -0.008 115.750 115.700 0.096 0.000 2.741 82 S HA 0.650 5.119 4.470 -0.001 0.000 0.247 82 S C 0.812 175.484 174.600 0.120 0.000 1.050 82 S CA 0.002 58.278 58.200 0.125 0.000 1.025 82 S CB 0.761 64.036 63.200 0.125 0.000 0.897 82 S HN 0.877 nan 8.310 nan 0.000 0.508 83 G N 1.304 110.163 108.800 0.097 0.000 2.615 83 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.218 83 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.218 83 G C 0.202 175.139 174.900 0.061 0.000 1.339 83 G CA -0.381 44.769 45.100 0.083 0.000 0.884 83 G HN 0.296 nan 8.290 nan 0.000 0.559 84 L N 0.219 121.472 121.223 0.050 0.000 2.418 84 L HA 0.158 4.497 4.340 -0.001 0.000 0.218 84 L C 1.468 178.352 176.870 0.022 0.000 1.125 84 L CA 0.694 55.552 54.840 0.030 0.000 0.835 84 L CB -0.271 41.801 42.059 0.021 0.000 0.953 84 L HN 0.300 nan 8.230 nan 0.000 0.454 85 K N 1.945 122.367 120.400 0.037 0.000 2.262 85 K HA 0.297 4.616 4.320 -0.001 0.000 0.288 85 K C -0.243 176.380 176.600 0.037 0.000 1.090 85 K CA -0.193 56.112 56.287 0.030 0.000 0.918 85 K CB 0.651 33.183 32.500 0.054 0.000 1.139 85 K HN 0.104 nan 8.250 nan 0.000 0.462 86 I N 1.910 122.486 120.570 0.011 0.000 2.598 86 I HA -0.062 4.107 4.170 -0.001 0.000 0.284 86 I C 1.358 177.493 176.117 0.031 0.000 1.140 86 I CA 0.724 62.036 61.300 0.019 0.000 1.420 86 I CB 0.366 38.368 38.000 0.002 0.000 1.387 86 I HN 0.936 nan 8.210 nan 0.000 0.553 87 G N 4.230 113.061 108.800 0.053 0.000 2.143 87 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.248 87 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.248 87 G C 0.301 175.256 174.900 0.091 0.000 0.991 87 G CA 0.055 45.192 45.100 0.061 0.000 0.689 87 G HN 0.972 nan 8.290 nan 0.000 0.522 88 A N -0.435 122.455 122.820 0.115 0.000 2.272 88 A HA 0.635 4.954 4.320 -0.001 0.000 0.275 88 A C 0.566 178.283 177.584 0.221 0.000 1.096 88 A CA -0.309 51.833 52.037 0.175 0.000 0.822 88 A CB 0.301 19.402 19.000 0.170 0.000 1.088 88 A HN 0.625 nan 8.150 nan 0.000 0.495 89 H N 0.416 119.623 119.070 0.229 0.000 2.848 89 H HA 0.107 4.663 4.556 -0.001 0.000 0.317 89 H C 0.721 176.183 175.328 0.224 0.000 1.046 89 H CA 0.659 56.859 56.048 0.253 0.000 1.470 89 H CB 0.824 30.752 29.762 0.278 0.000 1.483 89 H HN 0.673 nan 8.280 nan 0.000 0.548 90 K N 3.282 123.895 120.400 0.356 0.000 2.362 90 K HA -0.115 4.204 4.320 -0.001 0.000 0.200 90 K C 1.571 178.427 176.600 0.427 0.000 1.046 90 K CA 1.023 57.571 56.287 0.435 0.000 0.952 90 K CB 0.263 33.044 32.500 0.467 0.000 0.753 90 K HN 0.528 nan 8.250 nan 0.000 0.466 91 K N 0.150 120.698 120.400 0.248 0.000 2.458 91 K HA 0.061 4.380 4.320 -0.001 0.000 0.194 91 K C 0.331 176.937 176.600 0.010 0.000 1.024 91 K CA 0.308 56.423 56.287 -0.285 0.000 1.108 91 K CB 0.255 31.988 32.500 -1.279 0.000 0.846 91 K HN -0.107 nan 8.250 nan 0.000 0.518 92 N N 2.318 121.127 118.700 0.182 0.000 2.346 92 N HA -0.013 4.726 4.740 -0.001 0.000 0.225 92 N C -0.472 175.208 175.510 0.284 0.000 1.144 92 N CA 0.344 53.500 53.050 0.176 0.000 0.837 92 N CB 0.707 39.373 38.487 0.298 0.000 1.069 92 N HN 0.438 nan 8.380 nan 0.000 0.487 93 T N -3.744 110.972 114.554 0.271 0.000 2.922 93 T HA 0.276 4.626 4.350 -0.001 0.000 0.285 93 T C 1.648 176.470 174.700 0.203 0.000 1.005 93 T CA -0.713 61.532 62.100 0.242 0.000 1.061 93 T CB 1.633 70.604 68.868 0.172 0.000 1.007 93 T HN -0.201 nan 8.240 nan 0.000 0.502 94 V N 1.340 121.386 119.914 0.221 0.000 2.407 94 V HA -0.110 4.009 4.120 -0.001 0.000 0.248 94 V C 2.892 179.027 176.094 0.068 0.000 1.055 94 V CA 1.716 64.137 62.300 0.202 0.000 1.049 94 V CB -0.833 31.087 31.823 0.162 0.000 0.662 94 V HN 0.874 nan 8.190 nan 0.000 0.455 95 E N -0.411 119.773 120.200 -0.027 0.000 2.077 95 E HA -0.201 4.148 4.350 -0.001 0.000 0.193 95 E C 2.118 178.613 176.600 -0.176 0.000 0.989 95 E CA 1.609 57.918 56.400 -0.150 0.000 0.800 95 E CB -0.273 29.244 29.700 -0.306 0.000 0.746 95 E HN 0.746 nan 8.360 nan 0.000 0.452 96 Y N 1.096 121.441 120.300 0.075 0.000 2.395 96 Y HA -0.047 4.502 4.550 -0.001 0.000 0.293 96 Y C 2.408 178.297 175.900 -0.019 0.000 1.123 96 Y CA 0.655 58.780 58.100 0.041 0.000 1.227 96 Y CB -0.204 38.267 38.460 0.018 0.000 1.012 96 Y HN 0.041 nan 8.280 nan 0.000 0.552 97 Q N 0.485 120.330 119.800 0.076 0.000 2.224 97 Q HA -0.149 4.190 4.340 -0.001 0.000 0.203 97 Q C 1.705 177.737 176.000 0.052 0.000 0.970 97 Q CA 1.200 57.005 55.803 0.003 0.000 0.865 97 Q CB -0.170 28.500 28.738 -0.112 0.000 0.922 97 Q HN 0.520 nan 8.270 nan 0.000 0.445 98 K N 0.358 120.796 120.400 0.062 0.000 2.262 98 K HA 0.056 4.376 4.320 -0.001 0.000 0.200 98 K C 0.459 177.103 176.600 0.074 0.000 1.049 98 K CA 0.417 56.739 56.287 0.059 0.000 0.979 98 K CB 0.419 32.944 32.500 0.041 0.000 0.773 98 K HN 0.134 nan 8.250 nan 0.000 0.474 99 N N 1.321 120.085 118.700 0.107 0.000 2.723 99 N HA 0.079 4.819 4.740 -0.001 0.000 0.290 99 N C 0.392 176.040 175.510 0.229 0.000 1.882 99 N CA 0.035 53.170 53.050 0.142 0.000 0.851 99 N CB 1.002 39.560 38.487 0.118 0.000 1.234 99 N HN 0.080 nan 8.380 nan 0.000 0.491 100 I N 0.085 120.765 120.570 0.183 0.000 2.335 100 I HA -0.235 3.934 4.170 -0.001 0.000 0.251 100 I C 0.807 177.046 176.117 0.203 0.000 1.129 100 I CA 1.639 63.042 61.300 0.172 0.000 1.402 100 I CB 0.351 38.410 38.000 0.098 0.000 1.069 100 I HN 0.092 nan 8.210 nan 0.000 0.424 101 D N 0.741 121.260 120.400 0.199 0.000 2.347 101 D HA -0.077 4.562 4.640 -0.001 0.000 0.213 101 D C 1.770 178.160 176.300 0.150 0.000 0.985 101 D CA 0.342 54.449 54.000 0.179 0.000 0.879 101 D CB 0.098 41.037 40.800 0.232 0.000 0.919 101 D HN 0.353 nan 8.370 nan 0.000 0.526 102 K N 0.205 120.734 120.400 0.214 0.000 2.365 102 K HA -0.070 4.249 4.320 -0.001 0.000 0.199 102 K C 1.614 178.309 176.600 0.158 0.000 1.045 102 K CA 0.023 56.441 56.287 0.218 0.000 0.962 102 K CB -0.262 32.435 32.500 0.328 0.000 0.759 102 K HN 0.185 nan 8.250 nan 0.000 0.469 103 F N 1.423 121.335 119.950 -0.064 0.000 2.365 103 F HA -0.145 4.382 4.527 -0.001 0.000 0.300 103 F C 1.804 177.469 175.800 -0.225 0.000 1.090 103 F CA 0.475 58.274 58.000 -0.334 0.000 1.408 103 F CB -0.042 38.736 39.000 -0.370 0.000 1.060 103 F HN -0.297 nan 8.300 nan 0.000 0.534 104 V N 0.375 120.194 119.914 -0.159 0.000 2.469 104 V HA -0.370 3.749 4.120 -0.001 0.000 0.251 104 V C 1.855 177.747 176.094 -0.336 0.000 1.064 104 V CA 2.339 64.486 62.300 -0.256 0.000 1.066 104 V CB -1.058 30.631 31.823 -0.224 0.000 0.667 104 V HN 0.378 nan 8.190 nan 0.000 0.461 105 N N -0.111 118.426 118.700 -0.272 0.000 2.166 105 N HA -0.142 4.597 4.740 -0.001 0.000 0.186 105 N C 1.665 176.987 175.510 -0.313 0.000 1.019 105 N CA 1.344 54.256 53.050 -0.230 0.000 0.856 105 N CB -0.248 38.170 38.487 -0.115 0.000 0.993 105 N HN 0.330 nan 8.380 nan 0.000 0.426 106 V N 1.061 120.668 119.914 -0.511 0.000 2.379 106 V HA -0.153 3.966 4.120 -0.001 0.000 0.245 106 V C 2.010 177.755 176.094 -0.581 0.000 1.044 106 V CA 1.272 63.234 62.300 -0.564 0.000 1.036 106 V CB -0.422 30.829 31.823 -0.952 0.000 0.664 106 V HN 0.290 nan 8.190 nan 0.000 0.453 107 I N -0.224 119.888 120.570 -0.763 0.000 2.127 107 I HA -0.340 3.830 4.170 -0.001 0.000 0.241 107 I C 2.707 178.558 176.117 -0.444 0.000 1.075 107 I CA 1.800 62.700 61.300 -0.667 0.000 1.334 107 I CB -0.472 37.161 38.000 -0.611 0.000 1.040 107 I HN 0.336 nan 8.210 nan 0.000 0.405 108 Q N 0.463 120.057 119.800 -0.344 0.000 2.135 108 Q HA -0.184 4.156 4.340 -0.001 0.000 0.204 108 Q C 2.308 178.204 176.000 -0.175 0.000 0.981 108 Q CA 1.664 57.327 55.803 -0.232 0.000 0.856 108 Q CB -0.511 28.106 28.738 -0.201 0.000 0.902 108 Q HN 0.673 nan 8.270 nan 0.000 0.425 109 G N 1.220 109.914 108.800 -0.176 0.000 2.470 109 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.220 109 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.220 109 G C 1.016 175.869 174.900 -0.078 0.000 1.121 109 G CA 0.826 45.860 45.100 -0.110 0.000 0.766 109 G HN 0.499 nan 8.290 nan 0.000 0.553 110 Q N -0.625 119.114 119.800 -0.102 0.000 2.165 110 Q HA 0.473 4.812 4.340 -0.001 0.000 0.245 110 Q C -0.337 175.654 176.000 -0.016 0.000 0.841 110 Q CA -0.295 55.488 55.803 -0.033 0.000 1.078 110 Q CB 0.151 28.893 28.738 0.007 0.000 1.169 110 Q HN 0.256 nan 8.270 nan 0.000 0.475 111 L N 1.968 123.159 121.223 -0.053 0.000 2.319 111 L HA 0.542 4.881 4.340 -0.001 0.000 0.281 111 L C -0.771 176.099 176.870 -0.000 0.000 1.005 111 L CA -0.791 54.038 54.840 -0.019 0.000 0.828 111 L CB 1.717 43.734 42.059 -0.069 0.000 1.227 111 L HN 0.245 nan 8.230 nan 0.000 0.415 112 M N 2.186 121.810 119.600 0.040 0.000 2.167 112 M HA 0.335 4.814 4.480 -0.001 0.000 0.333 112 M C 0.002 176.334 176.300 0.054 0.000 1.030 112 M CA -0.529 54.801 55.300 0.050 0.000 0.963 112 M CB 1.310 33.964 32.600 0.090 0.000 1.589 112 M HN 0.358 nan 8.290 nan 0.000 0.431 113 S N 1.764 117.484 115.700 0.033 0.000 2.558 113 S HA 0.166 4.635 4.470 -0.001 0.000 0.288 113 S C 1.619 176.251 174.600 0.055 0.000 1.318 113 S CA -0.526 57.694 58.200 0.034 0.000 1.056 113 S CB 0.924 64.133 63.200 0.015 0.000 0.853 113 S HN 0.538 nan 8.310 nan 0.000 0.505 114 V N 2.209 122.167 119.914 0.074 0.000 2.407 114 V HA 0.035 4.154 4.120 -0.001 0.000 0.245 114 V C 1.137 177.233 176.094 0.004 0.000 1.041 114 V CA 1.294 63.630 62.300 0.060 0.000 1.040 114 V CB 0.172 32.063 31.823 0.114 0.000 0.671 114 V HN 0.778 nan 8.190 nan 0.000 0.455 115 S N -0.401 115.319 115.700 0.034 0.000 2.737 115 S HA 0.517 4.987 4.470 -0.001 0.000 0.269 115 S C -1.109 173.494 174.600 0.004 0.000 1.150 115 S CA -0.397 57.788 58.200 -0.024 0.000 1.077 115 S CB 1.396 64.545 63.200 -0.085 0.000 1.075 115 S HN -0.004 nan 8.310 nan 0.000 0.476 116 V N 7.891 127.793 119.914 -0.020 0.000 2.357 116 V HA 0.541 4.660 4.120 -0.001 0.000 0.284 116 V C -1.935 174.139 176.094 -0.032 0.000 1.018 116 V CA -1.778 60.510 62.300 -0.020 0.000 0.841 116 V CB 1.510 33.321 31.823 -0.021 0.000 0.991 116 V HN 0.674 nan 8.190 nan 0.000 0.437 117 P HA 0.156 nan 4.420 nan 0.000 0.274 117 P C -0.148 177.124 177.300 -0.047 0.000 1.260 117 P CA -0.156 62.921 63.100 -0.038 0.000 0.793 117 P CB 0.765 32.444 31.700 -0.035 0.000 1.048 118 V N 1.933 121.821 119.914 -0.044 0.000 2.599 118 V HA -0.023 4.097 4.120 -0.001 0.000 0.300 118 V C 1.233 177.266 176.094 -0.102 0.000 1.034 118 V CA 0.137 62.404 62.300 -0.054 0.000 1.115 118 V CB -0.622 31.191 31.823 -0.016 0.000 0.934 118 V HN 0.604 nan 8.190 nan 0.000 0.485 119 N N 3.576 122.208 118.700 -0.113 0.000 2.488 119 N HA 0.094 4.833 4.740 -0.001 0.000 0.274 119 N C 0.608 175.920 175.510 -0.329 0.000 1.111 119 N CA 0.380 53.334 53.050 -0.161 0.000 0.974 119 N CB 1.604 40.032 38.487 -0.097 0.000 1.089 119 N HN 0.859 nan 8.380 nan 0.000 0.465 120 T N 0.989 115.223 114.554 -0.533 0.000 3.200 120 T HA 0.262 4.612 4.350 -0.001 0.000 0.284 120 T C 0.834 175.088 174.700 -0.744 0.000 1.009 120 T CA -0.442 60.915 62.100 -1.238 0.000 0.907 120 T CB -0.410 67.884 68.868 -0.956 0.000 1.120 120 T HN 0.291 nan 8.240 nan 0.000 0.534 121 L N 2.002 123.054 121.223 -0.285 0.000 2.453 121 L HA 0.354 4.694 4.340 -0.001 0.000 0.272 121 L C -0.003 176.941 176.870 0.123 0.000 1.182 121 L CA -0.627 54.171 54.840 -0.070 0.000 0.858 121 L CB 0.834 42.876 42.059 -0.029 0.000 1.120 121 L HN 0.077 nan 8.230 nan 0.000 0.474 122 V N 4.736 124.737 119.914 0.144 0.000 2.383 122 V HA 0.215 4.334 4.120 -0.001 0.000 0.275 122 V C 0.146 176.311 176.094 0.118 0.000 1.036 122 V CA -0.494 61.937 62.300 0.218 0.000 0.889 122 V CB 1.710 33.642 31.823 0.182 0.000 0.985 122 V HN 0.407 nan 8.190 nan 0.000 0.459 123 V N 5.338 125.317 119.914 0.107 0.000 2.328 123 V HA 0.358 4.478 4.120 -0.001 0.000 0.278 123 V C 0.128 176.248 176.094 0.044 0.000 1.021 123 V CA -0.438 61.901 62.300 0.065 0.000 0.838 123 V CB 1.462 33.324 31.823 0.064 0.000 0.999 123 V HN 1.073 nan 8.190 nan 0.000 0.447 124 D N 2.018 122.438 120.400 0.032 0.000 2.593 124 D HA 0.042 4.681 4.640 -0.001 0.000 0.241 124 D C 0.954 177.261 176.300 0.011 0.000 1.257 124 D CA 0.100 54.110 54.000 0.016 0.000 0.828 124 D CB 0.410 41.218 40.800 0.014 0.000 1.049 124 D HN 0.547 nan 8.370 nan 0.000 0.490 125 T N -2.022 112.542 114.554 0.016 0.000 3.296 125 T HA 0.330 4.679 4.350 -0.001 0.000 0.285 125 T C 0.533 175.242 174.700 0.016 0.000 1.014 125 T CA -0.541 61.568 62.100 0.014 0.000 0.920 125 T CB -0.309 68.567 68.868 0.014 0.000 1.143 125 T HN 0.023 nan 8.240 nan 0.000 0.522 126 L N 2.134 123.368 121.223 0.018 0.000 2.461 126 L HA 0.315 4.655 4.340 -0.001 0.000 0.272 126 L C 1.147 178.026 176.870 0.016 0.000 1.197 126 L CA -0.472 54.382 54.840 0.023 0.000 0.836 126 L CB 0.509 42.584 42.059 0.027 0.000 1.105 126 L HN 0.293 nan 8.230 nan 0.000 0.477 127 S N 2.606 118.318 115.700 0.021 0.000 2.558 127 S HA 0.069 4.538 4.470 -0.001 0.000 0.288 127 S C -1.380 173.227 174.600 0.011 0.000 1.318 127 S CA -1.002 57.208 58.200 0.016 0.000 1.056 127 S CB 0.742 63.955 63.200 0.022 0.000 0.853 127 S HN 0.411 nan 8.310 nan 0.000 0.505 128 P HA -0.100 nan 4.420 nan 0.000 0.218 128 P C 1.382 178.682 177.300 0.000 0.000 1.146 128 P CA 1.502 64.598 63.100 -0.006 0.000 0.813 128 P CB -0.258 31.438 31.700 -0.007 0.000 0.778 129 T N -5.514 109.049 114.554 0.015 0.000 3.055 129 T HA 0.075 4.424 4.350 -0.001 0.000 0.265 129 T C 0.992 175.723 174.700 0.052 0.000 1.111 129 T CA 0.107 62.224 62.100 0.028 0.000 1.118 129 T CB -0.614 68.272 68.868 0.029 0.000 0.909 129 T HN -0.085 nan 8.240 nan 0.000 0.501 130 S N 1.409 117.143 115.700 0.056 0.000 2.565 130 S HA 0.288 4.758 4.470 -0.001 0.000 0.276 130 S C -0.554 174.126 174.600 0.134 0.000 1.326 130 S CA -1.002 57.259 58.200 0.101 0.000 1.045 130 S CB 0.176 63.430 63.200 0.090 0.000 0.918 130 S HN 0.597 nan 8.310 nan 0.000 0.505 131 W N 2.907 124.213 121.300 0.010 0.000 2.251 131 W HA 0.175 4.834 4.660 -0.001 0.000 0.327 131 W C 0.116 176.647 176.519 0.020 0.000 1.361 131 W CA 0.249 57.599 57.345 0.009 0.000 1.234 131 W CB 0.242 29.708 29.460 0.010 0.000 1.212 131 W HN 0.500 nan 8.180 nan 0.000 0.557 132 Q N 4.598 124.041 119.800 -0.596 0.000 2.285 132 Q HA 0.499 4.839 4.340 -0.001 0.000 0.269 132 Q C -0.409 174.942 176.000 -1.082 0.000 1.030 132 Q CA -0.872 54.617 55.803 -0.523 0.000 0.788 132 Q CB 1.977 30.537 28.738 -0.296 0.000 1.266 132 Q HN 0.602 nan 8.270 nan 0.000 0.438 133 A N 1.358 123.701 122.820 -0.795 0.000 2.425 133 A HA 0.216 4.535 4.320 -0.001 0.000 0.242 133 A C 0.653 178.056 177.584 -0.302 0.000 1.077 133 A CA -0.037 51.717 52.037 -0.472 0.000 0.781 133 A CB 0.492 19.625 19.000 0.222 0.000 1.020 133 A HN 0.793 nan 8.150 nan 0.000 0.494 134 S N -0.470 115.086 115.700 -0.239 0.000 2.593 134 S HA 0.139 4.608 4.470 -0.001 0.000 0.217 134 S C 0.697 175.187 174.600 -0.183 0.000 0.966 134 S CA 0.759 58.840 58.200 -0.199 0.000 0.914 134 S CB -0.322 62.788 63.200 -0.150 0.000 0.776 134 S HN 1.123 nan 8.310 nan 0.000 0.523 135 T N -1.506 112.968 114.554 -0.132 0.000 2.864 135 T HA 0.629 4.978 4.350 -0.001 0.000 0.299 135 T C -0.972 173.687 174.700 -0.068 0.000 1.166 135 T CA -0.774 61.263 62.100 -0.105 0.000 1.007 135 T CB 0.691 69.598 68.868 0.066 0.000 1.219 135 T HN -0.090 nan 8.240 nan 0.000 0.506 136 F N 3.110 123.131 119.950 0.118 0.000 2.567 136 F HA 0.407 4.933 4.527 -0.001 0.000 0.352 136 F C 0.436 176.279 175.800 0.073 0.000 1.229 136 F CA -1.681 56.349 58.000 0.051 0.000 1.228 136 F CB -0.778 38.225 39.000 0.005 0.000 1.568 136 F HN 0.563 nan 8.300 nan 0.000 0.634 137 F N -0.430 119.624 119.950 0.174 0.000 2.399 137 F HA 0.567 5.094 4.527 -0.001 0.000 0.313 137 F C -0.029 175.844 175.800 0.122 0.000 1.202 137 F CA -1.690 56.388 58.000 0.130 0.000 1.192 137 F CB -0.203 38.864 39.000 0.113 0.000 1.256 137 F HN -0.142 nan 8.300 nan 0.000 0.558 138 V N 2.869 122.907 119.914 0.206 0.000 2.425 138 V HA 0.251 4.371 4.120 -0.001 0.000 0.276 138 V C 0.121 176.253 176.094 0.063 0.000 1.017 138 V CA 0.035 62.390 62.300 0.092 0.000 1.062 138 V CB -0.988 30.909 31.823 0.123 0.000 0.997 138 V HN 0.719 nan 8.190 nan 0.000 0.476 139 R N 3.838 124.275 120.500 -0.106 0.000 2.771 139 R HA 0.481 4.820 4.340 -0.001 0.000 0.274 139 R C 0.040 176.301 176.300 -0.064 0.000 0.987 139 R CA -0.987 55.031 56.100 -0.136 0.000 0.908 139 R CB 1.358 31.445 30.300 -0.353 0.000 1.213 139 R HN 0.646 nan 8.270 nan 0.000 0.468 140 N N 0.616 119.300 118.700 -0.027 0.000 2.754 140 N HA -0.181 4.558 4.740 -0.001 0.000 0.248 140 N C 0.451 175.951 175.510 -0.017 0.000 1.093 140 N CA 1.529 54.566 53.050 -0.022 0.000 0.699 140 N CB -1.165 37.302 38.487 -0.034 0.000 1.016 140 N HN 1.092 nan 8.380 nan 0.000 0.552 141 G N -1.726 107.070 108.800 -0.006 0.000 2.148 141 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.254 141 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.254 141 G C 0.262 175.157 174.900 -0.009 0.000 0.981 141 G CA 0.910 46.008 45.100 -0.004 0.000 0.670 141 G HN 1.344 nan 8.290 nan 0.000 0.528 142 S N -0.636 115.053 115.700 -0.017 0.000 2.603 142 S HA 0.534 5.003 4.470 -0.001 0.000 0.268 142 S C 0.069 174.657 174.600 -0.019 0.000 1.317 142 S CA -0.053 58.133 58.200 -0.024 0.000 1.012 142 S CB 1.903 65.081 63.200 -0.037 0.000 0.926 142 S HN 0.639 nan 8.310 nan 0.000 0.539 143 N N 2.055 120.736 118.700 -0.033 0.000 2.546 143 N HA 0.372 5.111 4.740 -0.001 0.000 0.238 143 N C -1.766 173.723 175.510 -0.035 0.000 0.984 143 N CA -2.537 50.484 53.050 -0.048 0.000 0.935 143 N CB 1.303 39.732 38.487 -0.097 0.000 1.122 143 N HN 0.362 nan 8.380 nan 0.000 0.510 144 P HA -0.054 nan 4.420 nan 0.000 0.230 144 P C 0.317 177.633 177.300 0.027 0.000 1.158 144 P CA 0.834 63.946 63.100 0.020 0.000 0.769 144 P CB 0.572 32.300 31.700 0.046 0.000 0.807 145 E N -0.143 120.056 120.200 -0.002 0.000 2.274 145 E HA -0.103 4.246 4.350 -0.001 0.000 0.194 145 E C 0.926 177.523 176.600 -0.005 0.000 0.996 145 E CA 0.608 57.021 56.400 0.022 0.000 0.840 145 E CB -0.161 29.478 29.700 -0.101 0.000 0.772 145 E HN 0.303 nan 8.360 nan 0.000 0.491 146 Q N 2.298 122.064 119.800 -0.057 0.000 2.307 146 Q HA 0.027 4.367 4.340 -0.001 0.000 0.259 146 Q C -0.839 175.166 176.000 0.008 0.000 0.998 146 Q CA -0.198 55.573 55.803 -0.053 0.000 0.923 146 Q CB 0.708 29.403 28.738 -0.073 0.000 1.196 146 Q HN -0.187 nan 8.270 nan 0.000 0.416 147 D N 6.076 126.503 120.400 0.045 0.000 2.382 147 D HA 0.030 4.669 4.640 -0.001 0.000 0.259 147 D C -1.692 174.624 176.300 0.028 0.000 1.224 147 D CA -1.775 52.252 54.000 0.044 0.000 0.894 147 D CB 1.251 42.091 40.800 0.066 0.000 1.127 147 D HN 0.426 nan 8.370 nan 0.000 0.487 148 P HA -0.073 nan 4.420 nan 0.000 0.225 148 P C 1.091 178.394 177.300 0.005 0.000 1.148 148 P CA 0.720 63.819 63.100 -0.002 0.000 0.779 148 P CB 0.248 31.934 31.700 -0.024 0.000 0.780 149 L N -1.320 119.910 121.223 0.012 0.000 2.667 149 L HA 0.230 4.569 4.340 -0.001 0.000 0.232 149 L C 1.430 178.314 176.870 0.024 0.000 1.138 149 L CA 0.144 54.992 54.840 0.013 0.000 0.921 149 L CB -0.067 41.996 42.059 0.006 0.000 1.180 149 L HN -0.180 nan 8.230 nan 0.000 0.487 150 R N -0.289 120.236 120.500 0.042 0.000 2.698 150 R HA 0.199 4.538 4.340 -0.001 0.000 0.422 150 R C -0.294 176.066 176.300 0.100 0.000 1.073 150 R CA -0.270 55.868 56.100 0.062 0.000 1.054 150 R CB 0.388 30.729 30.300 0.067 0.000 1.373 150 R HN 0.065 nan 8.270 nan 0.000 0.593 151 N N 0.586 119.325 118.700 0.064 0.000 2.485 151 N HA 0.350 5.089 4.740 -0.001 0.000 0.280 151 N C -0.683 174.765 175.510 -0.103 0.000 1.205 151 N CA -0.525 52.553 53.050 0.047 0.000 0.959 151 N CB 1.070 39.577 38.487 0.032 0.000 1.206 151 N HN 0.054 nan 8.380 nan 0.000 0.545 152 L N 1.956 122.959 121.223 -0.366 0.000 2.417 152 L HA 0.230 4.570 4.340 -0.001 0.000 0.258 152 L C 1.423 178.126 176.870 -0.278 0.000 1.088 152 L CA -0.325 54.184 54.840 -0.551 0.000 0.975 152 L CB 0.548 41.915 42.059 -1.153 0.000 1.341 152 L HN 0.626 nan 8.230 nan 0.000 0.431 153 S N -0.014 115.611 115.700 -0.124 0.000 2.419 153 S HA -0.127 4.342 4.470 -0.001 0.000 0.233 153 S C 1.809 176.375 174.600 -0.056 0.000 1.016 153 S CA 1.003 59.171 58.200 -0.054 0.000 0.974 153 S CB -0.245 62.934 63.200 -0.034 0.000 0.786 153 S HN 0.659 nan 8.310 nan 0.000 0.492 154 G N 0.527 109.276 108.800 -0.085 0.000 2.813 154 G HA2 0.074 4.034 3.960 -0.001 0.000 0.209 154 G HA3 0.074 4.034 3.960 -0.001 0.000 0.209 154 G C 0.557 175.418 174.900 -0.066 0.000 1.150 154 G CA -0.268 44.791 45.100 -0.068 0.000 0.785 154 G HN 0.356 nan 8.290 nan 0.000 0.535 155 Q N 0.624 120.368 119.800 -0.094 0.000 2.311 155 Q HA 0.494 4.833 4.340 -0.001 0.000 0.272 155 Q C -0.211 175.810 176.000 0.035 0.000 1.012 155 Q CA 0.237 56.014 55.803 -0.043 0.000 0.891 155 Q CB 1.379 30.085 28.738 -0.053 0.000 1.201 155 Q HN 0.264 nan 8.270 nan 0.000 0.391 156 A N 2.243 125.088 122.820 0.042 0.000 2.549 156 A HA 0.694 5.013 4.320 -0.001 0.000 0.297 156 A C -0.866 176.763 177.584 0.076 0.000 1.061 156 A CA -0.651 51.417 52.037 0.052 0.000 0.690 156 A CB 1.425 20.440 19.000 0.025 0.000 1.287 156 A HN 0.467 nan 8.150 nan 0.000 0.402 157 V N -1.166 118.805 119.914 0.095 0.000 2.815 157 V HA 0.939 5.058 4.120 -0.001 0.000 0.314 157 V C -0.341 175.833 176.094 0.133 0.000 1.064 157 V CA -0.468 61.908 62.300 0.128 0.000 0.952 157 V CB 1.626 33.562 31.823 0.188 0.000 1.020 157 V HN 0.829 nan 8.190 nan 0.000 0.439 158 T N 3.491 118.127 114.554 0.137 0.000 2.792 158 T HA 0.590 4.939 4.350 -0.001 0.000 0.280 158 T C -0.324 174.429 174.700 0.088 0.000 0.990 158 T CA -0.474 61.698 62.100 0.120 0.000 0.960 158 T CB 1.075 70.034 68.868 0.153 0.000 0.939 158 T HN 0.781 nan 8.240 nan 0.000 0.439 159 R N 2.539 123.077 120.500 0.064 0.000 2.363 159 R HA 0.621 4.960 4.340 -0.001 0.000 0.297 159 R C -0.776 175.544 176.300 0.034 0.000 1.208 159 R CA -0.621 55.490 56.100 0.019 0.000 1.121 159 R CB 0.911 31.191 30.300 -0.034 0.000 1.124 159 R HN 0.528 nan 8.270 nan 0.000 0.561 160 V N -1.744 118.191 119.914 0.035 0.000 3.178 160 V HA 0.427 4.547 4.120 -0.001 0.000 0.302 160 V C -0.134 175.980 176.094 0.034 0.000 1.262 160 V CA -1.173 61.151 62.300 0.041 0.000 1.030 160 V CB 1.923 33.778 31.823 0.054 0.000 1.074 160 V HN 0.153 nan 8.190 nan 0.000 0.438 161 V N 3.070 123.007 119.914 0.038 0.000 2.493 161 V HA 0.506 4.625 4.120 -0.001 0.000 0.292 161 V C 1.668 177.783 176.094 0.036 0.000 1.016 161 V CA 1.969 64.292 62.300 0.038 0.000 1.097 161 V CB 0.008 31.855 31.823 0.041 0.000 0.947 161 V HN 2.101 nan 8.190 nan 0.000 0.479 162 G N 3.429 112.246 108.800 0.028 0.000 2.176 162 G HA2 0.012 3.972 3.960 -0.001 0.000 0.232 162 G HA3 0.012 3.972 3.960 -0.001 0.000 0.232 162 G C 0.942 175.824 174.900 -0.030 0.000 0.986 162 G CA 0.206 45.312 45.100 0.011 0.000 0.643 162 G HN 2.042 nan 8.290 nan 0.000 0.522 163 G N 0.161 108.951 108.800 -0.017 0.000 2.594 163 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.297 163 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.297 163 G C 1.220 176.064 174.900 -0.093 0.000 1.273 163 G CA 1.246 46.326 45.100 -0.034 0.000 0.974 163 G HN 1.062 nan 8.290 nan 0.000 0.552 164 M N 1.490 120.993 119.600 -0.162 0.000 2.476 164 M HA -0.007 4.472 4.480 -0.001 0.000 0.262 164 M C 2.745 178.699 176.300 -0.577 0.000 1.079 164 M CA 1.685 56.749 55.300 -0.394 0.000 1.104 164 M CB -0.240 32.210 32.600 -0.250 0.000 1.409 164 M HN 0.741 nan 8.290 nan 0.000 0.467 165 S N -0.150 115.274 115.700 -0.459 0.000 2.547 165 S HA -0.083 4.386 4.470 -0.001 0.000 0.235 165 S C 1.677 176.162 174.600 -0.191 0.000 0.980 165 S CA 1.315 59.170 58.200 -0.575 0.000 0.941 165 S CB -0.940 61.969 63.200 -0.485 0.000 0.763 165 S HN 0.586 nan 8.310 nan 0.000 0.532 166 T N -0.952 113.484 114.554 -0.196 0.000 3.148 166 T HA 0.062 4.411 4.350 -0.001 0.000 0.253 166 T C 1.272 175.815 174.700 -0.262 0.000 1.134 166 T CA 0.795 62.803 62.100 -0.154 0.000 1.051 166 T CB -0.654 68.213 68.868 -0.002 0.000 0.959 166 T HN 0.911 nan 8.240 nan 0.000 0.525 167 H N -2.043 116.930 119.070 -0.162 0.000 3.787 167 H HA 0.187 4.742 4.556 -0.001 0.000 0.262 167 H C 0.438 175.977 175.328 0.352 0.000 1.181 167 H CA -1.002 55.107 56.048 0.102 0.000 1.159 167 H CB -0.531 29.297 29.762 0.110 0.000 1.563 167 H HN 0.466 nan 8.280 nan 0.000 0.699 168 W N 2.728 123.980 121.300 -0.079 0.000 2.042 168 W HA 0.294 4.953 4.660 -0.001 0.000 0.358 168 W C -0.018 176.633 176.519 0.221 0.000 1.325 168 W CA 0.030 57.442 57.345 0.112 0.000 1.311 168 W CB -0.194 29.262 29.460 -0.007 0.000 1.210 168 W HN -0.166 nan 8.180 nan 0.000 0.620 169 T N 0.969 115.573 114.554 0.083 0.000 3.088 169 T HA 0.000 4.350 4.350 -0.001 0.000 0.259 169 T C 1.057 175.413 174.700 -0.573 0.000 1.122 169 T CA 1.199 63.170 62.100 -0.216 0.000 1.095 169 T CB -0.497 68.394 68.868 0.038 0.000 0.930 169 T HN 0.662 nan 8.240 nan 0.000 0.508 170 C N 0.822 119.408 119.300 -1.189 0.000 4.617 170 C HA -0.109 4.351 4.460 -0.001 0.000 0.260 170 C C 1.114 175.637 174.990 -0.778 0.000 1.288 170 C CA -0.871 57.171 59.018 -1.627 0.000 1.668 170 C CB -2.704 24.544 27.740 -0.820 0.000 1.518 170 C HN 0.760 nan 8.230 nan 0.000 0.708 171 A N 1.194 123.765 122.820 -0.415 0.000 2.451 171 A HA 0.545 4.864 4.320 -0.001 0.000 0.266 171 A C 0.796 178.310 177.584 -0.115 0.000 1.119 171 A CA 1.227 53.168 52.037 -0.160 0.000 0.786 171 A CB 0.151 19.135 19.000 -0.028 0.000 1.061 171 A HN 1.492 nan 8.150 nan 0.000 0.503 172 T N 1.463 115.962 114.554 -0.092 0.000 3.542 172 T HA 0.512 4.862 4.350 -0.001 0.000 0.276 172 T C -2.771 171.887 174.700 -0.071 0.000 1.412 172 T CA -1.350 60.725 62.100 -0.042 0.000 1.664 172 T CB 0.669 69.547 68.868 0.016 0.000 0.863 172 T HN 0.446 nan 8.240 nan 0.000 0.661 173 P HA 0.425 nan 4.420 nan 0.000 0.281 173 P C -0.222 176.931 177.300 -0.244 0.000 1.249 173 P CA -0.650 62.348 63.100 -0.169 0.000 0.810 173 P CB 1.182 32.755 31.700 -0.212 0.000 1.008 174 R N 0.851 121.124 120.500 -0.379 0.000 2.615 174 R HA 0.406 4.745 4.340 -0.001 0.000 0.270 174 R C 0.051 176.232 176.300 -0.198 0.000 1.081 174 R CA -0.423 55.265 56.100 -0.687 0.000 1.154 174 R CB 0.175 29.912 30.300 -0.937 0.000 1.063 174 R HN 0.375 nan 8.270 nan 0.000 0.519 175 F N 1.785 121.508 119.950 -0.379 0.000 2.396 175 F HA 0.070 4.596 4.527 -0.001 0.000 0.343 175 F C 0.912 176.523 175.800 -0.315 0.000 1.104 175 F CA -1.566 56.231 58.000 -0.339 0.000 1.161 175 F CB 0.421 39.212 39.000 -0.348 0.000 1.146 175 F HN 0.538 nan 8.300 nan 0.000 0.522 176 D N 2.139 122.462 120.400 -0.128 0.000 2.411 176 D HA 0.162 4.801 4.640 -0.001 0.000 0.251 176 D C 1.111 177.325 176.300 -0.143 0.000 1.201 176 D CA -0.468 53.460 54.000 -0.119 0.000 0.996 176 D CB 0.523 41.273 40.800 -0.084 0.000 1.101 176 D HN 0.438 nan 8.370 nan 0.000 0.504 177 R N -0.205 120.236 120.500 -0.098 0.000 2.113 177 R HA -0.199 4.140 4.340 -0.001 0.000 0.244 177 R C 1.993 178.241 176.300 -0.087 0.000 1.142 177 R CA 1.883 57.931 56.100 -0.085 0.000 0.953 177 R CB -0.317 29.967 30.300 -0.026 0.000 0.860 177 R HN 0.626 nan 8.270 nan 0.000 0.438 178 E N 0.239 120.391 120.200 -0.080 0.000 2.171 178 E HA -0.249 4.101 4.350 -0.001 0.000 0.197 178 E C 1.785 178.296 176.600 -0.150 0.000 0.997 178 E CA 1.347 57.708 56.400 -0.067 0.000 0.810 178 E CB 0.038 29.738 29.700 -0.001 0.000 0.738 178 E HN 0.477 nan 8.360 nan 0.000 0.467 179 Q N -0.568 119.053 119.800 -0.297 0.000 2.319 179 Q HA 0.130 4.469 4.340 -0.001 0.000 0.209 179 Q C 0.471 176.366 176.000 -0.175 0.000 0.884 179 Q CA -0.135 55.418 55.803 -0.417 0.000 0.938 179 Q CB 0.705 28.863 28.738 -0.966 0.000 1.098 179 Q HN -0.044 nan 8.270 nan 0.000 0.517 180 R N 2.184 122.617 120.500 -0.112 0.000 2.346 180 R HA 0.284 4.623 4.340 -0.001 0.000 0.311 180 R C -2.528 173.742 176.300 -0.051 0.000 0.983 180 R CA -2.137 53.883 56.100 -0.133 0.000 0.880 180 R CB 0.920 30.948 30.300 -0.454 0.000 1.100 180 R HN -0.120 nan 8.270 nan 0.000 0.453 181 P HA -0.002 nan 4.420 nan 0.000 0.268 181 P C -0.539 176.955 177.300 0.323 0.000 1.205 181 P CA 0.073 63.276 63.100 0.171 0.000 0.771 181 P CB 0.585 32.411 31.700 0.210 0.000 0.858 182 L N 3.349 124.704 121.223 0.220 0.000 2.410 182 L HA 0.125 4.464 4.340 -0.001 0.000 0.273 182 L C 1.685 178.691 176.870 0.226 0.000 1.152 182 L CA -0.082 54.944 54.840 0.309 0.000 0.855 182 L CB 0.263 42.526 42.059 0.340 0.000 1.129 182 L HN 0.392 nan 8.230 nan 0.000 0.463 183 L N 3.625 125.016 121.223 0.281 0.000 2.537 183 L HA 0.199 4.539 4.340 -0.001 0.000 0.224 183 L C -0.156 176.874 176.870 0.267 0.000 1.065 183 L CA 0.190 55.083 54.840 0.089 0.000 0.860 183 L CB 0.752 42.646 42.059 -0.275 0.000 1.086 183 L HN 0.320 nan 8.230 nan 0.000 0.482 184 V N 1.219 121.298 119.914 0.275 0.000 2.540 184 V HA 0.239 4.358 4.120 -0.001 0.000 0.302 184 V C -0.370 175.829 176.094 0.175 0.000 1.035 184 V CA -0.941 61.470 62.300 0.184 0.000 0.873 184 V CB 1.681 33.560 31.823 0.093 0.000 0.992 184 V HN 0.190 nan 8.190 nan 0.000 0.428 185 K N 2.305 122.684 120.400 -0.036 0.000 2.143 185 K HA 0.528 4.848 4.320 -0.001 0.000 0.272 185 K C -0.572 175.996 176.600 -0.054 0.000 1.001 185 K CA -0.544 55.672 56.287 -0.118 0.000 0.915 185 K CB 0.959 33.165 32.500 -0.490 0.000 1.047 185 K HN 0.589 nan 8.250 nan 0.000 0.458 186 D N 0.853 121.250 120.400 -0.006 0.000 2.870 186 D HA -0.151 4.488 4.640 -0.001 0.000 0.228 186 D C -0.912 175.398 176.300 0.016 0.000 1.147 186 D CA 1.358 55.360 54.000 0.002 0.000 0.757 186 D CB -0.940 39.847 40.800 -0.022 0.000 1.091 186 D HN 0.809 nan 8.370 nan 0.000 0.429 187 D N -1.294 119.130 120.400 0.039 0.000 2.634 187 D HA 0.411 5.051 4.640 -0.001 0.000 0.236 187 D C 0.840 177.180 176.300 0.068 0.000 1.323 187 D CA 0.211 54.238 54.000 0.044 0.000 0.884 187 D CB 0.289 41.108 40.800 0.033 0.000 1.496 187 D HN 0.016 nan 8.370 nan 0.000 0.525 188 A N 1.772 124.634 122.820 0.069 0.000 2.015 188 A HA -0.115 4.205 4.320 -0.001 0.000 0.219 188 A C 1.660 179.296 177.584 0.088 0.000 1.163 188 A CA 1.197 53.286 52.037 0.086 0.000 0.646 188 A CB 0.084 19.127 19.000 0.071 0.000 0.806 188 A HN 0.382 nan 8.150 nan 0.000 0.448 189 D N 0.103 120.544 120.400 0.067 0.000 2.123 189 D HA 0.017 4.656 4.640 -0.001 0.000 0.200 189 D C 2.285 178.626 176.300 0.068 0.000 0.976 189 D CA 1.434 55.472 54.000 0.063 0.000 0.831 189 D CB -0.424 40.403 40.800 0.045 0.000 0.974 189 D HN 0.385 nan 8.370 nan 0.000 0.469 190 A N 0.890 123.746 122.820 0.060 0.000 1.933 190 A HA -0.217 4.102 4.320 -0.001 0.000 0.218 190 A C 1.954 179.583 177.584 0.076 0.000 1.175 190 A CA 2.053 54.121 52.037 0.053 0.000 0.628 190 A CB -0.647 18.376 19.000 0.038 0.000 0.814 190 A HN 0.177 nan 8.150 nan 0.000 0.444 191 D N -0.230 120.239 120.400 0.115 0.000 2.104 191 D HA -0.168 4.472 4.640 -0.001 0.000 0.194 191 D C 1.327 177.793 176.300 0.277 0.000 0.994 191 D CA 1.661 55.777 54.000 0.193 0.000 0.830 191 D CB -0.141 40.805 40.800 0.244 0.000 0.959 191 D HN 0.356 nan 8.370 nan 0.000 0.452 192 D N -0.220 120.311 120.400 0.219 0.000 2.104 192 D HA -0.139 4.500 4.640 -0.001 0.000 0.194 192 D C 2.025 178.439 176.300 0.191 0.000 0.994 192 D CA 1.585 55.715 54.000 0.218 0.000 0.830 192 D CB -0.691 40.190 40.800 0.135 0.000 0.959 192 D HN 0.320 nan 8.370 nan 0.000 0.452 193 A N 0.672 123.563 122.820 0.119 0.000 1.908 193 A HA -0.240 4.079 4.320 -0.001 0.000 0.218 193 A C 2.153 179.770 177.584 0.056 0.000 1.181 193 A CA 2.151 54.234 52.037 0.077 0.000 0.627 193 A CB -0.625 18.404 19.000 0.047 0.000 0.818 193 A HN 0.240 nan 8.150 nan 0.000 0.445 194 E N -0.993 119.222 120.200 0.026 0.000 2.051 194 E HA -0.205 4.144 4.350 -0.001 0.000 0.192 194 E C 1.706 178.227 176.600 -0.133 0.000 0.991 194 E CA 1.549 57.896 56.400 -0.089 0.000 0.799 194 E CB -0.496 29.102 29.700 -0.170 0.000 0.748 194 E HN 0.714 nan 8.360 nan 0.000 0.449 195 W N 0.800 122.069 121.300 -0.051 0.000 2.338 195 W HA -0.160 4.499 4.660 -0.001 0.000 0.304 195 W C 2.188 178.702 176.519 -0.007 0.000 1.212 195 W CA 1.310 58.594 57.345 -0.102 0.000 1.264 195 W CB -0.367 29.085 29.460 -0.014 0.000 1.142 195 W HN 0.270 nan 8.180 nan 0.000 0.512 196 D N -0.159 120.419 120.400 0.296 0.000 2.097 196 D HA -0.198 4.441 4.640 -0.001 0.000 0.197 196 D C 2.160 178.535 176.300 0.125 0.000 0.984 196 D CA 1.429 55.566 54.000 0.230 0.000 0.826 196 D CB -0.269 40.621 40.800 0.150 0.000 0.973 196 D HN -0.047 nan 8.370 nan 0.000 0.460 197 R N -0.239 120.289 120.500 0.046 0.000 2.091 197 R HA -0.095 4.244 4.340 -0.001 0.000 0.238 197 R C 2.391 178.654 176.300 -0.063 0.000 1.136 197 R CA 1.085 57.176 56.100 -0.016 0.000 0.959 197 R CB -0.258 30.017 30.300 -0.043 0.000 0.856 197 R HN 0.274 nan 8.270 nan 0.000 0.437 198 L N -0.747 120.408 121.223 -0.114 0.000 2.072 198 L HA -0.156 4.183 4.340 -0.001 0.000 0.205 198 L C 2.287 179.087 176.870 -0.117 0.000 1.079 198 L CA 1.030 55.750 54.840 -0.201 0.000 0.752 198 L CB -0.621 41.215 42.059 -0.370 0.000 0.906 198 L HN 0.171 nan 8.230 nan 0.000 0.436 199 Y N 0.630 120.934 120.300 0.006 0.000 2.224 199 Y HA -0.234 4.315 4.550 -0.001 0.000 0.289 199 Y C 2.889 178.767 175.900 -0.037 0.000 1.146 199 Y CA 1.516 59.624 58.100 0.013 0.000 1.182 199 Y CB -1.091 37.407 38.460 0.063 0.000 0.983 199 Y HN 0.138 nan 8.280 nan 0.000 0.524 200 T N -0.336 114.290 114.554 0.120 0.000 2.708 200 T HA -0.218 4.131 4.350 -0.001 0.000 0.266 200 T C 2.005 176.669 174.700 -0.061 0.000 1.037 200 T CA 1.714 63.833 62.100 0.032 0.000 1.146 200 T CB -0.184 68.696 68.868 0.020 0.000 0.865 200 T HN 0.227 nan 8.240 nan 0.000 0.435 201 K N 0.829 121.135 120.400 -0.157 0.000 2.057 201 K HA -0.014 4.305 4.320 -0.001 0.000 0.207 201 K C 2.526 178.786 176.600 -0.568 0.000 1.049 201 K CA 1.158 57.219 56.287 -0.376 0.000 0.931 201 K CB -0.295 31.943 32.500 -0.437 0.000 0.714 201 K HN 0.275 nan 8.250 nan 0.000 0.440 202 A N 1.294 123.899 122.820 -0.358 0.000 1.933 202 A HA -0.202 4.117 4.320 -0.001 0.000 0.218 202 A C 1.806 179.388 177.584 -0.003 0.000 1.175 202 A CA 1.742 53.643 52.037 -0.226 0.000 0.628 202 A CB -0.469 18.512 19.000 -0.032 0.000 0.814 202 A HN 0.461 nan 8.150 nan 0.000 0.444 203 E N 0.266 120.504 120.200 0.063 0.000 2.110 203 E HA -0.174 4.175 4.350 -0.001 0.000 0.193 203 E C 2.381 179.056 176.600 0.125 0.000 0.988 203 E CA 1.570 58.051 56.400 0.136 0.000 0.804 203 E CB -0.194 29.562 29.700 0.094 0.000 0.745 203 E HN 0.826 nan 8.360 nan 0.000 0.458 204 S N 0.129 115.851 115.700 0.037 0.000 2.368 204 S HA -0.173 4.297 4.470 -0.001 0.000 0.224 204 S C 1.925 176.663 174.600 0.231 0.000 1.029 204 S CA 0.686 58.942 58.200 0.094 0.000 0.988 204 S CB -0.482 62.749 63.200 0.052 0.000 0.838 204 S HN 0.197 nan 8.310 nan 0.000 0.462 205 Y N 0.733 121.046 120.300 0.022 0.000 2.165 205 Y HA 0.062 4.612 4.550 -0.001 0.000 0.286 205 Y C 2.101 178.036 175.900 0.058 0.000 1.155 205 Y CA 0.012 58.095 58.100 -0.028 0.000 1.164 205 Y CB -1.117 37.242 38.460 -0.168 0.000 0.978 205 Y HN 0.296 nan 8.280 nan 0.000 0.513 206 F N 0.134 120.244 119.950 0.266 0.000 2.743 206 F HA 0.033 4.559 4.527 -0.001 0.000 0.297 206 F C 0.821 176.734 175.800 0.188 0.000 1.131 206 F CA 0.227 58.371 58.000 0.241 0.000 1.426 206 F CB -0.299 38.860 39.000 0.265 0.000 1.116 206 F HN 0.015 nan 8.300 nan 0.000 0.583 207 Q N 0.458 120.453 119.800 0.325 0.000 2.470 207 Q HA -0.186 4.153 4.340 -0.001 0.000 0.294 207 Q C 0.073 176.161 176.000 0.146 0.000 1.356 207 Q CA 0.730 56.647 55.803 0.189 0.000 0.805 207 Q CB -2.720 26.108 28.738 0.149 0.000 1.157 207 Q HN 0.212 nan 8.270 nan 0.000 0.431 208 T N 0.007 114.661 114.554 0.167 0.000 2.916 208 T HA 0.477 4.826 4.350 -0.001 0.000 0.303 208 T C 0.791 175.523 174.700 0.053 0.000 1.025 208 T CA 0.579 62.741 62.100 0.103 0.000 1.142 208 T CB 1.344 70.282 68.868 0.117 0.000 0.947 208 T HN 0.501 nan 8.240 nan 0.000 0.544 209 G N 0.608 109.424 108.800 0.026 0.000 2.682 209 G HA2 0.543 4.502 3.960 -0.001 0.000 0.290 209 G HA3 0.543 4.502 3.960 -0.001 0.000 0.290 209 G C -0.003 174.907 174.900 0.017 0.000 1.425 209 G CA -0.539 44.569 45.100 0.013 0.000 0.807 209 G HN 0.621 nan 8.290 nan 0.000 0.482 210 T N -2.384 112.180 114.554 0.018 0.000 3.339 210 T HA 0.284 4.633 4.350 -0.001 0.000 0.292 210 T C 0.107 174.824 174.700 0.027 0.000 1.012 210 T CA 0.500 62.621 62.100 0.035 0.000 0.937 210 T CB 0.386 69.279 68.868 0.042 0.000 1.164 210 T HN 0.504 nan 8.240 nan 0.000 0.509 211 D N 0.204 120.600 120.400 -0.007 0.000 2.500 211 D HA 0.064 4.703 4.640 -0.001 0.000 0.217 211 D C 1.333 177.565 176.300 -0.114 0.000 1.159 211 D CA -0.078 53.896 54.000 -0.044 0.000 0.828 211 D CB -0.066 40.705 40.800 -0.048 0.000 1.039 211 D HN 0.262 nan 8.370 nan 0.000 0.512 212 Q N -0.426 119.302 119.800 -0.121 0.000 2.369 212 Q HA 0.157 4.496 4.340 -0.001 0.000 0.206 212 Q C 0.304 175.934 176.000 -0.616 0.000 0.963 212 Q CA 0.904 56.510 55.803 -0.329 0.000 0.894 212 Q CB -0.258 28.271 28.738 -0.349 0.000 0.965 212 Q HN 0.293 nan 8.270 nan 0.000 0.475 213 F N 0.005 119.791 119.950 -0.273 0.000 2.698 213 F HA 0.233 4.759 4.527 -0.001 0.000 0.304 213 F C 1.362 176.947 175.800 -0.359 0.000 1.108 213 F CA -0.568 57.223 58.000 -0.349 0.000 1.263 213 F CB 0.323 39.036 39.000 -0.478 0.000 1.013 213 F HN -0.006 nan 8.300 nan 0.000 0.532 214 K N 0.638 120.936 120.400 -0.171 0.000 2.152 214 K HA -0.145 4.174 4.320 -0.001 0.000 0.206 214 K C 0.578 177.084 176.600 -0.157 0.000 1.048 214 K CA 1.770 58.005 56.287 -0.085 0.000 0.933 214 K CB -0.246 32.194 32.500 -0.099 0.000 0.721 214 K HN 0.326 nan 8.250 nan 0.000 0.447 215 E N 1.800 121.785 120.200 -0.358 0.000 2.423 215 E HA 0.054 4.403 4.350 -0.001 0.000 0.198 215 E C -0.736 175.716 176.600 -0.248 0.000 1.038 215 E CA -0.357 55.629 56.400 -0.690 0.000 1.011 215 E CB 0.881 30.006 29.700 -0.959 0.000 1.118 215 E HN 0.238 nan 8.360 nan 0.000 0.451 216 S N 0.533 116.231 115.700 -0.004 0.000 2.523 216 S HA 0.183 4.653 4.470 -0.001 0.000 0.275 216 S C 1.182 175.867 174.600 0.143 0.000 1.281 216 S CA -0.485 57.768 58.200 0.089 0.000 1.050 216 S CB 0.564 63.876 63.200 0.187 0.000 0.937 216 S HN 0.225 nan 8.310 nan 0.000 0.492 217 I N 4.848 125.383 120.570 -0.058 0.000 2.179 217 I HA -0.179 3.990 4.170 -0.001 0.000 0.242 217 I C 2.730 178.680 176.117 -0.279 0.000 1.088 217 I CA 1.265 62.291 61.300 -0.457 0.000 1.357 217 I CB -0.223 37.270 38.000 -0.844 0.000 1.051 217 I HN 0.711 nan 8.210 nan 0.000 0.409 218 R N -0.549 119.872 120.500 -0.133 0.000 2.091 218 R HA -0.247 4.093 4.340 -0.001 0.000 0.238 218 R C 2.343 178.666 176.300 0.037 0.000 1.136 218 R CA 1.839 57.911 56.100 -0.046 0.000 0.959 218 R CB -0.751 29.536 30.300 -0.022 0.000 0.856 218 R HN 0.454 nan 8.270 nan 0.000 0.437 219 H N 1.197 120.284 119.070 0.028 0.000 2.290 219 H HA -0.049 4.506 4.556 -0.001 0.000 0.298 219 H C 1.795 177.193 175.328 0.116 0.000 1.087 219 H CA 1.934 58.024 56.048 0.069 0.000 1.291 219 H CB -0.107 29.730 29.762 0.124 0.000 1.369 219 H HN 0.129 nan 8.280 nan 0.000 0.492 220 N N 0.037 118.823 118.700 0.144 0.000 2.216 220 N HA -0.123 4.617 4.740 -0.001 0.000 0.183 220 N C 2.036 177.689 175.510 0.238 0.000 1.017 220 N CA 0.917 54.097 53.050 0.217 0.000 0.861 220 N CB -0.211 38.622 38.487 0.576 0.000 0.986 220 N HN 0.275 nan 8.380 nan 0.000 0.428 221 L N 1.441 122.822 121.223 0.264 0.000 2.013 221 L HA -0.169 4.170 4.340 -0.001 0.000 0.212 221 L C 2.155 179.077 176.870 0.087 0.000 1.073 221 L CA 1.496 56.479 54.840 0.238 0.000 0.753 221 L CB -0.591 41.561 42.059 0.155 0.000 0.890 221 L HN -0.097 nan 8.230 nan 0.000 0.432 222 V N -1.152 118.762 119.914 0.001 0.000 2.379 222 V HA -0.218 3.902 4.120 -0.001 0.000 0.245 222 V C 2.374 178.394 176.094 -0.123 0.000 1.044 222 V CA 1.384 63.653 62.300 -0.052 0.000 1.036 222 V CB -0.522 31.247 31.823 -0.090 0.000 0.664 222 V HN 0.469 nan 8.190 nan 0.000 0.453 223 L N 1.075 122.191 121.223 -0.178 0.000 1.990 223 L HA -0.222 4.117 4.340 -0.001 0.000 0.213 223 L C 2.254 179.066 176.870 -0.097 0.000 1.072 223 L CA 2.203 56.938 54.840 -0.174 0.000 0.755 223 L CB -0.931 40.997 42.059 -0.218 0.000 0.889 223 L HN 0.322 nan 8.230 nan 0.000 0.432 224 N N -0.321 118.367 118.700 -0.019 0.000 2.120 224 N HA -0.211 4.528 4.740 -0.001 0.000 0.188 224 N C 1.852 177.348 175.510 -0.022 0.000 1.024 224 N CA 1.339 54.395 53.050 0.009 0.000 0.852 224 N CB -0.353 38.167 38.487 0.055 0.000 1.003 224 N HN 0.266 nan 8.380 nan 0.000 0.424 225 K N 1.342 121.724 120.400 -0.029 0.000 2.026 225 K HA 0.069 4.388 4.320 -0.001 0.000 0.208 225 K C 1.952 178.506 176.600 -0.076 0.000 1.048 225 K CA 0.948 57.215 56.287 -0.033 0.000 0.929 225 K CB -0.517 31.980 32.500 -0.004 0.000 0.713 225 K HN 0.138 nan 8.250 nan 0.000 0.439 226 L N 0.084 121.191 121.223 -0.193 0.000 2.093 226 L HA -0.136 4.203 4.340 -0.001 0.000 0.208 226 L C 2.199 178.889 176.870 -0.300 0.000 1.085 226 L CA 1.504 56.110 54.840 -0.389 0.000 0.755 226 L CB -0.719 40.699 42.059 -1.069 0.000 0.904 226 L HN 0.243 nan 8.230 nan 0.000 0.435 227 T N -0.630 113.810 114.554 -0.191 0.000 2.652 227 T HA -0.267 4.082 4.350 -0.001 0.000 0.267 227 T C 1.774 176.531 174.700 0.096 0.000 1.039 227 T CA 1.826 63.969 62.100 0.072 0.000 1.153 227 T CB -0.176 68.740 68.868 0.080 0.000 0.863 227 T HN 0.435 nan 8.240 nan 0.000 0.428 228 E N 0.858 121.075 120.200 0.028 0.000 2.038 228 E HA -0.222 4.128 4.350 -0.001 0.000 0.195 228 E C 2.065 178.668 176.600 0.004 0.000 1.000 228 E CA 1.214 57.622 56.400 0.013 0.000 0.803 228 E CB -0.072 29.619 29.700 -0.016 0.000 0.750 228 E HN 0.398 nan 8.360 nan 0.000 0.448 229 E N -0.467 119.719 120.200 -0.022 0.000 2.204 229 E HA -0.164 4.185 4.350 -0.001 0.000 0.195 229 E C 0.937 177.396 176.600 -0.235 0.000 0.990 229 E CA 0.948 57.263 56.400 -0.142 0.000 0.821 229 E CB -0.097 29.477 29.700 -0.211 0.000 0.750 229 E HN 0.492 nan 8.360 nan 0.000 0.477 230 Y N 0.314 120.665 120.300 0.085 0.000 2.720 230 Y HA 0.202 4.751 4.550 -0.001 0.000 0.277 230 Y C 0.574 176.547 175.900 0.120 0.000 1.144 230 Y CA -0.388 57.798 58.100 0.143 0.000 1.221 230 Y CB 0.482 39.133 38.460 0.318 0.000 1.163 230 Y HN -0.262 nan 8.280 nan 0.000 0.537 231 K N 0.250 120.753 120.400 0.171 0.000 2.401 231 K HA 0.257 4.576 4.320 -0.001 0.000 0.278 231 K C 1.236 177.897 176.600 0.102 0.000 1.018 231 K CA 1.138 57.503 56.287 0.131 0.000 0.981 231 K CB 0.246 32.790 32.500 0.073 0.000 0.933 231 K HN 0.563 nan 8.250 nan 0.000 0.477 232 G N 2.791 111.648 108.800 0.096 0.000 2.189 232 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.267 232 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.267 232 G C 0.566 175.518 174.900 0.086 0.000 0.975 232 G CA 0.881 46.026 45.100 0.075 0.000 0.644 232 G HN 0.744 nan 8.290 nan 0.000 0.537 233 Q N -1.556 118.320 119.800 0.127 0.000 2.459 233 Q HA 0.260 4.599 4.340 -0.001 0.000 0.260 233 Q C 1.081 177.149 176.000 0.113 0.000 0.828 233 Q CA 0.131 56.014 55.803 0.134 0.000 0.987 233 Q CB 1.051 29.903 28.738 0.189 0.000 1.216 233 Q HN 0.502 nan 8.270 nan 0.000 0.558 234 R N 0.492 121.063 120.500 0.119 0.000 2.707 234 R HA 0.400 4.740 4.340 -0.001 0.000 0.272 234 R C -1.667 174.618 176.300 -0.026 0.000 1.011 234 R CA -0.750 55.321 56.100 -0.048 0.000 0.893 234 R CB 1.661 31.722 30.300 -0.398 0.000 1.233 234 R HN -0.064 nan 8.270 nan 0.000 0.464 235 D N 1.356 121.671 120.400 -0.142 0.000 2.185 235 D HA 0.419 5.058 4.640 -0.001 0.000 0.247 235 D C -0.785 175.353 176.300 -0.269 0.000 1.027 235 D CA 0.019 53.984 54.000 -0.058 0.000 0.861 235 D CB 1.310 42.096 40.800 -0.023 0.000 1.202 235 D HN 0.146 nan 8.370 nan 0.000 0.453 236 F N 0.763 120.721 119.950 0.013 0.000 2.522 236 F HA 0.395 4.921 4.527 -0.001 0.000 0.324 236 F C 0.596 176.413 175.800 0.027 0.000 1.077 236 F CA -0.641 57.360 58.000 0.003 0.000 0.944 236 F CB 1.852 40.850 39.000 -0.004 0.000 1.175 236 F HN 0.203 nan 8.300 nan 0.000 0.468 237 Q N 0.217 120.133 119.800 0.194 0.000 2.648 237 Q HA 0.342 4.681 4.340 -0.001 0.000 0.300 237 Q C -1.524 174.587 176.000 0.185 0.000 0.954 237 Q CA -1.288 54.611 55.803 0.160 0.000 0.757 237 Q CB 1.803 30.602 28.738 0.102 0.000 1.482 237 Q HN 0.631 nan 8.270 nan 0.000 0.437 238 Q N 0.823 120.755 119.800 0.219 0.000 2.392 238 Q HA 0.207 4.546 4.340 -0.001 0.000 0.262 238 Q C -0.607 175.465 176.000 0.120 0.000 1.003 238 Q CA -0.187 55.754 55.803 0.230 0.000 0.888 238 Q CB 0.500 29.340 28.738 0.170 0.000 1.260 238 Q HN 0.582 nan 8.270 nan 0.000 0.435 239 I N 6.208 126.826 120.570 0.081 0.000 2.741 239 I HA -0.018 4.151 4.170 -0.001 0.000 0.288 239 I C -1.951 174.189 176.117 0.039 0.000 1.192 239 I CA -1.470 59.857 61.300 0.045 0.000 1.426 239 I CB 0.223 38.219 38.000 -0.007 0.000 1.367 239 I HN 0.483 nan 8.210 nan 0.000 0.563 240 P HA 0.206 nan 4.420 nan 0.000 0.270 240 P C -0.886 176.410 177.300 -0.007 0.000 1.242 240 P CA 0.173 63.279 63.100 0.011 0.000 0.768 240 P CB 0.353 32.047 31.700 -0.009 0.000 0.820 241 L N 2.517 123.744 121.223 0.006 0.000 2.346 241 L HA 0.655 4.994 4.340 -0.001 0.000 0.274 241 L C 0.475 177.331 176.870 -0.024 0.000 1.007 241 L CA -1.164 53.671 54.840 -0.007 0.000 0.818 241 L CB 2.068 44.190 42.059 0.106 0.000 1.284 241 L HN 0.229 nan 8.230 nan 0.000 0.424 242 A N 2.982 125.744 122.820 -0.097 0.000 2.798 242 A HA 0.772 5.091 4.320 -0.001 0.000 0.316 242 A C -0.051 177.541 177.584 0.013 0.000 1.506 242 A CA -0.019 52.001 52.037 -0.028 0.000 1.162 242 A CB -0.292 18.616 19.000 -0.154 0.000 1.138 242 A HN 0.765 nan 8.150 nan 0.000 0.532 243 A N 1.584 124.388 122.820 -0.026 0.000 2.599 243 A HA 0.765 5.084 4.320 -0.001 0.000 0.294 243 A C -0.515 176.961 177.584 -0.181 0.000 1.055 243 A CA -0.475 51.456 52.037 -0.177 0.000 0.683 243 A CB 0.890 19.619 19.000 -0.451 0.000 1.278 243 A HN 0.588 nan 8.150 nan 0.000 0.412 244 T N 1.414 115.835 114.554 -0.223 0.000 2.840 244 T HA 0.477 4.826 4.350 -0.001 0.000 0.287 244 T C -0.045 174.516 174.700 -0.232 0.000 0.991 244 T CA -0.423 61.573 62.100 -0.173 0.000 0.964 244 T CB 1.161 69.981 68.868 -0.079 0.000 0.954 244 T HN 0.731 nan 8.240 nan 0.000 0.438 245 R N 2.215 122.564 120.500 -0.252 0.000 2.491 245 R HA 0.242 4.582 4.340 -0.001 0.000 0.283 245 R C 0.774 176.995 176.300 -0.132 0.000 1.072 245 R CA -0.273 55.676 56.100 -0.251 0.000 1.048 245 R CB 0.389 30.510 30.300 -0.298 0.000 0.983 245 R HN 0.410 nan 8.270 nan 0.000 0.450 246 R N 0.993 121.461 120.500 -0.053 0.000 2.250 246 R HA 0.147 4.486 4.340 -0.001 0.000 0.194 246 R C 0.108 176.379 176.300 -0.048 0.000 0.927 246 R CA 0.645 56.723 56.100 -0.037 0.000 1.052 246 R CB 0.453 30.739 30.300 -0.023 0.000 1.055 246 R HN 0.770 nan 8.270 nan 0.000 0.537 247 S N -1.395 114.292 115.700 -0.021 0.000 2.643 247 S HA 0.389 4.858 4.470 -0.001 0.000 0.270 247 S C -2.625 171.945 174.600 -0.049 0.000 1.166 247 S CA -1.052 57.130 58.200 -0.030 0.000 0.815 247 S CB 2.228 65.430 63.200 0.003 0.000 1.139 247 S HN -0.274 nan 8.310 nan 0.000 0.472 248 P HA 0.011 nan 4.420 nan 0.000 0.221 248 P C 0.915 178.186 177.300 -0.048 0.000 1.145 248 P CA 1.677 64.737 63.100 -0.068 0.000 0.795 248 P CB -0.153 31.524 31.700 -0.038 0.000 0.775 249 T N -6.531 108.027 114.554 0.007 0.000 3.200 249 T HA 0.318 4.667 4.350 -0.001 0.000 0.284 249 T C -0.292 174.460 174.700 0.087 0.000 1.009 249 T CA -0.356 61.766 62.100 0.036 0.000 0.907 249 T CB -0.572 68.334 68.868 0.064 0.000 1.120 249 T HN -0.136 nan 8.240 nan 0.000 0.534 250 F N 1.536 121.427 119.950 -0.098 0.000 2.653 250 F HA 0.628 5.154 4.527 -0.001 0.000 0.327 250 F C -1.612 174.067 175.800 -0.202 0.000 1.195 250 F CA -1.230 56.709 58.000 -0.101 0.000 0.993 250 F CB 1.823 40.779 39.000 -0.074 0.000 1.259 250 F HN -0.097 nan 8.300 nan 0.000 0.478 251 V N 5.333 124.978 119.914 -0.449 0.000 2.417 251 V HA 0.302 4.421 4.120 -0.001 0.000 0.291 251 V C -0.319 175.328 176.094 -0.746 0.000 1.024 251 V CA -0.790 61.146 62.300 -0.606 0.000 0.861 251 V CB 1.687 32.967 31.823 -0.905 0.000 0.985 251 V HN 0.708 nan 8.190 nan 0.000 0.436 252 E N 4.590 124.576 120.200 -0.356 0.000 2.001 252 E HA 0.176 4.525 4.350 -0.001 0.000 0.279 252 E C -1.121 175.310 176.600 -0.281 0.000 1.045 252 E CA -0.564 55.760 56.400 -0.126 0.000 0.833 252 E CB 0.454 30.233 29.700 0.131 0.000 1.077 252 E HN 0.630 nan 8.360 nan 0.000 0.397 253 W N 2.893 124.119 121.300 -0.124 0.000 2.238 253 W HA 0.138 4.798 4.660 -0.001 0.000 0.321 253 W C 0.650 177.197 176.519 0.047 0.000 1.293 253 W CA -0.506 56.731 57.345 -0.179 0.000 1.204 253 W CB 0.912 30.039 29.460 -0.555 0.000 1.167 253 W HN 0.319 nan 8.180 nan 0.000 0.553 254 S N 1.565 117.461 115.700 0.327 0.000 2.634 254 S HA 0.645 5.114 4.470 -0.001 0.000 0.261 254 S C 0.152 175.168 174.600 0.694 0.000 1.271 254 S CA -0.536 57.924 58.200 0.433 0.000 0.985 254 S CB 1.177 64.641 63.200 0.439 0.000 0.968 254 S HN 0.526 nan 8.310 nan 0.000 0.568 255 S N -0.650 115.424 115.700 0.624 0.000 2.724 255 S HA 0.658 5.128 4.470 -0.001 0.000 0.278 255 S C 0.748 175.571 174.600 0.372 0.000 1.190 255 S CA -0.310 58.212 58.200 0.537 0.000 0.860 255 S CB 0.471 63.903 63.200 0.387 0.000 1.206 255 S HN 0.743 nan 8.310 nan 0.000 0.507 256 A N 1.573 124.507 122.820 0.190 0.000 1.948 256 A HA -0.192 4.128 4.320 -0.001 0.000 0.220 256 A C 2.007 179.645 177.584 0.090 0.000 1.177 256 A CA 2.191 54.286 52.037 0.097 0.000 0.636 256 A CB -1.527 17.498 19.000 0.042 0.000 0.815 256 A HN 0.848 nan 8.150 nan 0.000 0.449 257 N N -0.481 118.280 118.700 0.101 0.000 2.149 257 N HA -0.154 4.585 4.740 -0.001 0.000 0.188 257 N C 1.516 177.056 175.510 0.050 0.000 1.019 257 N CA 2.075 55.157 53.050 0.053 0.000 0.857 257 N CB -0.237 38.292 38.487 0.071 0.000 0.997 257 N HN 0.482 nan 8.380 nan 0.000 0.426 258 T N 0.271 114.905 114.554 0.134 0.000 2.821 258 T HA -0.026 4.323 4.350 -0.001 0.000 0.267 258 T C 2.068 176.809 174.700 0.068 0.000 1.046 258 T CA 0.922 63.105 62.100 0.137 0.000 1.139 258 T CB -0.116 68.911 68.868 0.266 0.000 0.871 258 T HN 0.043 nan 8.240 nan 0.000 0.454 259 V N -0.402 119.536 119.914 0.040 0.000 2.379 259 V HA 0.186 4.306 4.120 -0.001 0.000 0.245 259 V C 0.426 176.477 176.094 -0.071 0.000 1.044 259 V CA 0.907 63.146 62.300 -0.102 0.000 1.036 259 V CB -0.325 31.392 31.823 -0.177 0.000 0.664 259 V HN 0.483 nan 8.190 nan 0.000 0.453 260 F N 0.950 120.773 119.950 -0.210 0.000 2.623 260 F HA 0.367 4.893 4.527 -0.001 0.000 0.323 260 F C 0.326 176.010 175.800 -0.193 0.000 1.158 260 F CA -1.620 56.228 58.000 -0.254 0.000 1.030 260 F CB 1.364 40.164 39.000 -0.333 0.000 1.280 260 F HN 0.141 nan 8.300 nan 0.000 0.474 261 D N 4.873 124.825 120.400 -0.747 0.000 2.350 261 D HA -0.100 4.539 4.640 -0.001 0.000 0.216 261 D C 1.151 177.165 176.300 -0.478 0.000 0.968 261 D CA 1.383 55.085 54.000 -0.496 0.000 0.894 261 D CB -0.010 40.551 40.800 -0.397 0.000 0.909 261 D HN 0.694 nan 8.370 nan 0.000 0.520 262 L N -2.000 118.750 121.223 -0.788 0.000 4.560 262 L HA -0.213 4.126 4.340 -0.001 0.000 0.415 262 L C -0.306 176.523 176.870 -0.068 0.000 1.123 262 L CA 0.309 54.974 54.840 -0.291 0.000 0.991 262 L CB -1.364 40.683 42.059 -0.020 0.000 2.127 262 L HN 0.212 nan 8.230 nan 0.000 0.765 263 Q N 0.814 120.484 119.800 -0.216 0.000 2.259 263 Q HA 0.317 4.657 4.340 -0.001 0.000 0.249 263 Q C 0.317 176.384 176.000 0.111 0.000 0.914 263 Q CA -0.282 55.484 55.803 -0.061 0.000 0.904 263 Q CB 0.997 29.662 28.738 -0.121 0.000 1.213 263 Q HN 0.112 nan 8.270 nan 0.000 0.428 264 N N 1.845 120.612 118.700 0.112 0.000 2.441 264 N HA 0.110 4.849 4.740 -0.001 0.000 0.251 264 N C -0.300 175.285 175.510 0.125 0.000 1.242 264 N CA 0.381 53.509 53.050 0.130 0.000 0.898 264 N CB 0.620 39.086 38.487 -0.035 0.000 1.100 264 N HN 0.257 nan 8.380 nan 0.000 0.443 265 R N 1.008 121.616 120.500 0.180 0.000 2.744 265 R HA 0.491 4.831 4.340 -0.001 0.000 0.279 265 R C -2.515 173.879 176.300 0.155 0.000 0.977 265 R CA -1.619 54.576 56.100 0.158 0.000 0.906 265 R CB 1.839 32.263 30.300 0.207 0.000 1.197 265 R HN 0.366 nan 8.270 nan 0.000 0.463 266 P HA 0.127 nan 4.420 nan 0.000 0.275 266 P C -1.288 176.067 177.300 0.091 0.000 1.228 266 P CA -0.292 62.904 63.100 0.159 0.000 0.786 266 P CB 0.655 32.502 31.700 0.245 0.000 0.927 267 N N -0.962 117.775 118.700 0.061 0.000 3.204 267 N HA 0.269 5.008 4.740 -0.001 0.000 0.285 267 N C 0.453 175.972 175.510 0.015 0.000 1.536 267 N CA -0.688 52.380 53.050 0.030 0.000 0.832 267 N CB -0.444 38.050 38.487 0.012 0.000 1.645 267 N HN 0.039 nan 8.380 nan 0.000 0.586 268 T N -0.590 113.965 114.554 0.002 0.000 2.737 268 T HA -0.060 4.290 4.350 -0.001 0.000 0.265 268 T C 0.284 174.977 174.700 -0.013 0.000 1.038 268 T CA 1.611 63.709 62.100 -0.004 0.000 1.144 268 T CB -0.555 68.309 68.868 -0.007 0.000 0.866 268 T HN 0.528 nan 8.240 nan 0.000 0.434 269 D N 1.310 121.697 120.400 -0.021 0.000 2.310 269 D HA 0.108 4.747 4.640 -0.001 0.000 0.212 269 D C 0.693 176.976 176.300 -0.029 0.000 0.965 269 D CA 0.487 54.470 54.000 -0.029 0.000 0.879 269 D CB 0.005 40.780 40.800 -0.041 0.000 0.921 269 D HN 0.393 nan 8.370 nan 0.000 0.510 270 A N 0.574 123.383 122.820 -0.020 0.000 3.300 270 A HA 0.321 4.640 4.320 -0.001 0.000 0.300 270 A C -1.978 175.600 177.584 -0.009 0.000 1.099 270 A CA -0.840 51.187 52.037 -0.017 0.000 0.846 270 A CB 0.969 19.966 19.000 -0.005 0.000 1.255 270 A HN -0.155 nan 8.150 nan 0.000 0.519 271 P HA -0.069 nan 4.420 nan 0.000 0.229 271 P C 0.461 177.692 177.300 -0.114 0.000 1.160 271 P CA 1.102 64.185 63.100 -0.027 0.000 0.777 271 P CB 0.474 32.151 31.700 -0.039 0.000 0.814 272 E N -0.122 119.946 120.200 -0.219 0.000 2.501 272 E HA 0.135 4.484 4.350 -0.001 0.000 0.201 272 E C 0.207 176.662 176.600 -0.242 0.000 1.016 272 E CA 0.075 56.164 56.400 -0.517 0.000 0.920 272 E CB 0.575 29.978 29.700 -0.496 0.000 1.023 272 E HN 0.505 nan 8.360 nan 0.000 0.474 273 E N 0.991 121.187 120.200 -0.008 0.000 2.250 273 E HA 0.431 4.780 4.350 -0.001 0.000 0.269 273 E C -0.223 176.519 176.600 0.237 0.000 1.018 273 E CA -0.488 55.977 56.400 0.109 0.000 0.873 273 E CB 1.312 31.073 29.700 0.100 0.000 1.134 273 E HN -0.137 nan 8.360 nan 0.000 0.403 274 R N 1.848 122.504 120.500 0.260 0.000 2.468 274 R HA 0.409 4.748 4.340 -0.001 0.000 0.302 274 R C -1.538 174.939 176.300 0.295 0.000 1.041 274 R CA -0.509 55.751 56.100 0.266 0.000 0.899 274 R CB 0.925 31.376 30.300 0.251 0.000 1.167 274 R HN 0.389 nan 8.270 nan 0.000 0.483 275 F N 2.091 122.089 119.950 0.080 0.000 2.588 275 F HA 0.458 4.985 4.527 -0.001 0.000 0.314 275 F C -1.620 174.139 175.800 -0.068 0.000 1.134 275 F CA -0.709 57.307 58.000 0.026 0.000 0.961 275 F CB 2.094 41.170 39.000 0.126 0.000 1.239 275 F HN 0.376 nan 8.300 nan 0.000 0.448 276 N N 4.807 122.833 118.700 -1.123 0.000 2.352 276 N HA 0.563 5.302 4.740 -0.001 0.000 0.291 276 N C -1.997 172.477 175.510 -1.727 0.000 1.040 276 N CA -0.641 51.685 53.050 -1.207 0.000 0.864 276 N CB 2.340 40.285 38.487 -0.904 0.000 1.440 276 N HN 0.584 nan 8.380 nan 0.000 0.483 277 L N 2.643 123.089 121.223 -1.294 0.000 2.289 277 L HA 0.621 4.960 4.340 -0.001 0.000 0.285 277 L C -1.590 174.733 176.870 -0.911 0.000 1.049 277 L CA -0.183 54.133 54.840 -0.873 0.000 0.804 277 L CB 0.113 42.024 42.059 -0.248 0.000 1.195 277 L HN 0.454 nan 8.230 nan 0.000 0.428 278 F N 6.505 126.199 119.950 -0.427 0.000 2.359 278 F HA 0.529 5.055 4.527 -0.001 0.000 0.370 278 F C -2.127 173.622 175.800 -0.086 0.000 1.077 278 F CA -2.214 55.631 58.000 -0.259 0.000 1.136 278 F CB 0.575 39.371 39.000 -0.339 0.000 1.387 278 F HN 0.420 nan 8.300 nan 0.000 0.468 279 P HA 0.320 nan 4.420 nan 0.000 0.276 279 P C 0.016 177.375 177.300 0.098 0.000 1.261 279 P CA -0.230 62.915 63.100 0.075 0.000 0.800 279 P CB 1.036 32.759 31.700 0.039 0.000 1.066 280 A N -0.956 121.907 122.820 0.071 0.000 2.822 280 A HA -0.100 4.219 4.320 -0.001 0.000 0.287 280 A C -0.050 177.565 177.584 0.052 0.000 1.479 280 A CA 0.768 52.839 52.037 0.056 0.000 0.779 280 A CB -2.438 16.594 19.000 0.053 0.000 1.022 280 A HN 0.263 nan 8.150 nan 0.000 0.532 281 V N -0.198 119.763 119.914 0.078 0.000 2.380 281 V HA 0.642 4.762 4.120 -0.001 0.000 0.286 281 V C 0.646 176.755 176.094 0.026 0.000 1.015 281 V CA -0.374 61.971 62.300 0.075 0.000 0.834 281 V CB 1.364 33.318 31.823 0.217 0.000 1.009 281 V HN 1.488 nan 8.190 nan 0.000 0.428 282 A N 4.260 127.068 122.820 -0.021 0.000 2.444 282 A HA 0.373 4.692 4.320 -0.001 0.000 0.273 282 A C 0.277 177.857 177.584 -0.006 0.000 1.136 282 A CA -0.084 51.937 52.037 -0.026 0.000 0.799 282 A CB -0.287 18.741 19.000 0.047 0.000 1.081 282 A HN 0.880 nan 8.150 nan 0.000 0.509 283 C N 3.016 122.288 119.300 -0.046 0.000 2.415 283 C HA 0.342 4.802 4.460 -0.001 0.000 0.369 283 C C 1.358 176.332 174.990 -0.026 0.000 1.279 283 C CA -0.299 58.683 59.018 -0.060 0.000 1.886 283 C CB -0.347 27.345 27.740 -0.080 0.000 2.468 283 C HN 1.007 nan 8.230 nan 0.000 0.553 284 E N 0.740 120.951 120.200 0.020 0.000 2.330 284 E HA 0.137 4.486 4.350 -0.001 0.000 0.200 284 E C 0.241 176.825 176.600 -0.027 0.000 0.922 284 E CA 0.387 56.794 56.400 0.012 0.000 0.935 284 E CB 0.540 30.277 29.700 0.062 0.000 0.917 284 E HN 0.619 nan 8.360 nan 0.000 0.491 285 R N 0.546 121.042 120.500 -0.006 0.000 2.594 285 R HA 0.245 4.584 4.340 -0.001 0.000 0.265 285 R C -1.221 175.068 176.300 -0.018 0.000 1.070 285 R CA -0.510 55.573 56.100 -0.029 0.000 0.909 285 R CB 2.398 32.665 30.300 -0.056 0.000 1.243 285 R HN -0.086 nan 8.270 nan 0.000 0.455 286 V N 0.034 119.923 119.914 -0.043 0.000 2.439 286 V HA 0.557 4.676 4.120 -0.001 0.000 0.282 286 V C 0.040 176.098 176.094 -0.059 0.000 1.039 286 V CA -0.727 61.520 62.300 -0.090 0.000 0.913 286 V CB 1.641 33.367 31.823 -0.162 0.000 0.983 286 V HN 0.401 nan 8.190 nan 0.000 0.460 287 V N 6.161 126.025 119.914 -0.083 0.000 2.385 287 V HA 0.408 4.527 4.120 -0.001 0.000 0.269 287 V C 0.758 176.836 176.094 -0.027 0.000 1.043 287 V CA -0.374 61.901 62.300 -0.042 0.000 0.906 287 V CB 0.501 32.313 31.823 -0.018 0.000 0.995 287 V HN 0.935 nan 8.190 nan 0.000 0.467 288 R N 3.926 124.428 120.500 0.003 0.000 2.441 288 R HA 0.273 4.612 4.340 -0.001 0.000 0.284 288 R C 0.340 176.674 176.300 0.056 0.000 1.070 288 R CA -0.565 55.587 56.100 0.087 0.000 1.047 288 R CB 0.620 30.947 30.300 0.044 0.000 1.016 288 R HN 0.858 nan 8.270 nan 0.000 0.477 289 N N 1.448 120.194 118.700 0.078 0.000 2.399 289 N HA 0.005 4.744 4.740 -0.001 0.000 0.250 289 N C 0.538 176.045 175.510 -0.006 0.000 1.272 289 N CA 0.067 53.132 53.050 0.024 0.000 0.928 289 N CB 0.650 39.145 38.487 0.014 0.000 1.158 289 N HN 0.579 nan 8.380 nan 0.000 0.463 290 A N 0.860 123.669 122.820 -0.017 0.000 2.024 290 A HA -0.077 4.243 4.320 -0.001 0.000 0.220 290 A C 2.106 179.662 177.584 -0.046 0.000 1.164 290 A CA 0.965 52.985 52.037 -0.028 0.000 0.643 290 A CB -0.765 18.222 19.000 -0.022 0.000 0.806 290 A HN 0.669 nan 8.150 nan 0.000 0.451 291 L N -0.990 120.195 121.223 -0.062 0.000 2.554 291 L HA 0.009 4.348 4.340 -0.001 0.000 0.226 291 L C 0.090 176.864 176.870 -0.160 0.000 1.137 291 L CA -0.040 54.745 54.840 -0.092 0.000 0.863 291 L CB -0.366 41.640 42.059 -0.089 0.000 0.985 291 L HN 0.384 nan 8.230 nan 0.000 0.451 292 N N 0.184 118.776 118.700 -0.180 0.000 2.738 292 N HA -0.174 4.565 4.740 -0.001 0.000 0.249 292 N C 0.817 175.759 175.510 -0.947 0.000 1.047 292 N CA 1.047 53.891 53.050 -0.345 0.000 0.707 292 N CB -1.144 37.264 38.487 -0.132 0.000 0.937 292 N HN 0.530 nan 8.380 nan 0.000 0.545 293 S N -1.995 113.271 115.700 -0.723 0.000 2.666 293 S HA 0.276 4.745 4.470 -0.001 0.000 0.239 293 S C 0.240 174.592 174.600 -0.414 0.000 1.031 293 S CA -0.200 57.605 58.200 -0.658 0.000 1.015 293 S CB 1.515 64.551 63.200 -0.274 0.000 0.981 293 S HN 0.412 nan 8.310 nan 0.000 0.547 294 E N 0.395 120.489 120.200 -0.177 0.000 2.363 294 E HA 0.434 4.784 4.350 -0.001 0.000 0.281 294 E C -1.688 175.100 176.600 0.313 0.000 0.953 294 E CA -0.836 55.666 56.400 0.169 0.000 0.778 294 E CB 1.228 30.991 29.700 0.105 0.000 1.220 294 E HN 0.078 nan 8.360 nan 0.000 0.431 295 I N 3.420 124.143 120.570 0.255 0.000 2.396 295 I HA 0.163 4.332 4.170 -0.001 0.000 0.292 295 I C 0.841 176.899 176.117 -0.097 0.000 0.999 295 I CA 0.032 61.307 61.300 -0.041 0.000 1.310 295 I CB 1.377 39.108 38.000 -0.448 0.000 1.404 295 I HN 0.722 nan 8.210 nan 0.000 0.496 296 E N 2.853 122.992 120.200 -0.102 0.000 2.413 296 E HA 0.105 4.455 4.350 -0.001 0.000 0.203 296 E C 0.163 176.798 176.600 0.057 0.000 0.957 296 E CA 0.318 56.731 56.400 0.023 0.000 0.950 296 E CB 0.718 30.442 29.700 0.040 0.000 0.957 296 E HN 0.727 nan 8.360 nan 0.000 0.497 297 S N -0.427 115.232 115.700 -0.068 0.000 2.643 297 S HA 0.483 4.952 4.470 -0.001 0.000 0.266 297 S C -1.651 172.938 174.600 -0.020 0.000 1.130 297 S CA -1.038 57.210 58.200 0.079 0.000 0.817 297 S CB 1.240 64.495 63.200 0.091 0.000 1.107 297 S HN 0.003 nan 8.310 nan 0.000 0.471 298 L N 1.791 123.086 121.223 0.120 0.000 2.325 298 L HA 0.648 4.987 4.340 -0.001 0.000 0.281 298 L C -0.808 176.066 176.870 0.006 0.000 1.004 298 L CA -0.183 54.691 54.840 0.055 0.000 0.823 298 L CB 1.301 43.419 42.059 0.099 0.000 1.236 298 L HN 1.010 nan 8.230 nan 0.000 0.415 299 H N 5.096 124.128 119.070 -0.063 0.000 2.604 299 H HA 0.642 5.197 4.556 -0.001 0.000 0.306 299 H C -0.384 174.895 175.328 -0.082 0.000 1.075 299 H CA -0.330 55.684 56.048 -0.056 0.000 1.357 299 H CB 0.809 30.543 29.762 -0.047 0.000 1.426 299 H HN 0.670 nan 8.280 nan 0.000 0.470 300 I N 1.459 121.882 120.570 -0.244 0.000 2.957 300 I HA 0.428 4.597 4.170 -0.001 0.000 0.310 300 I C -1.129 175.022 176.117 0.056 0.000 1.063 300 I CA -0.982 60.253 61.300 -0.108 0.000 1.033 300 I CB 2.481 40.295 38.000 -0.309 0.000 1.230 300 I HN 0.657 nan 8.210 nan 0.000 0.447 301 H N 2.624 121.700 119.070 0.009 0.000 3.078 301 H HA 0.228 4.783 4.556 -0.001 0.000 0.319 301 H C -1.561 173.817 175.328 0.084 0.000 0.995 301 H CA -0.676 55.404 56.048 0.055 0.000 1.417 301 H CB 1.416 31.225 29.762 0.078 0.000 1.598 301 H HN 0.775 nan 8.280 nan 0.000 0.515 302 D N 5.434 125.864 120.400 0.049 0.000 2.358 302 D HA 0.006 4.645 4.640 -0.001 0.000 0.258 302 D C 1.152 177.317 176.300 -0.226 0.000 1.223 302 D CA -0.077 53.915 54.000 -0.014 0.000 0.886 302 D CB 0.943 41.846 40.800 0.172 0.000 1.120 302 D HN 0.661 nan 8.370 nan 0.000 0.482 303 L N 4.100 125.182 121.223 -0.234 0.000 2.291 303 L HA -0.099 4.240 4.340 -0.001 0.000 0.214 303 L C 1.803 178.634 176.870 -0.065 0.000 1.120 303 L CA 0.169 54.874 54.840 -0.224 0.000 0.799 303 L CB -0.095 41.912 42.059 -0.086 0.000 0.925 303 L HN 0.512 nan 8.230 nan 0.000 0.446 304 I N -0.379 120.184 120.570 -0.011 0.000 2.270 304 I HA -0.141 4.028 4.170 -0.001 0.000 0.239 304 I C 2.771 178.911 176.117 0.039 0.000 1.080 304 I CA 1.636 62.950 61.300 0.024 0.000 1.383 304 I CB -1.207 36.816 38.000 0.039 0.000 1.097 304 I HN 0.253 nan 8.210 nan 0.000 0.420 305 S N 0.519 116.254 115.700 0.059 0.000 2.428 305 S HA 0.055 4.525 4.470 -0.001 0.000 0.230 305 S C 1.873 176.522 174.600 0.082 0.000 1.014 305 S CA 0.932 59.180 58.200 0.079 0.000 0.957 305 S CB -0.176 63.096 63.200 0.120 0.000 0.784 305 S HN 0.621 nan 8.310 nan 0.000 0.499 306 G N 0.971 109.826 108.800 0.091 0.000 2.199 306 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.254 306 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.254 306 G C -0.311 174.710 174.900 0.201 0.000 0.982 306 G CA 0.201 45.409 45.100 0.181 0.000 0.632 306 G HN 0.567 nan 8.290 nan 0.000 0.529 307 D N 0.616 121.082 120.400 0.111 0.000 2.362 307 D HA 0.477 5.116 4.640 -0.001 0.000 0.242 307 D C 0.966 177.200 176.300 -0.110 0.000 1.132 307 D CA 0.246 54.195 54.000 -0.085 0.000 0.907 307 D CB 0.521 41.208 40.800 -0.189 0.000 1.195 307 D HN 0.403 nan 8.370 nan 0.000 0.429 308 R N 1.167 121.419 120.500 -0.413 0.000 2.562 308 R HA 0.578 4.917 4.340 -0.001 0.000 0.298 308 R C -0.711 175.106 176.300 -0.805 0.000 0.961 308 R CA -0.648 55.226 56.100 -0.376 0.000 0.881 308 R CB 1.230 31.432 30.300 -0.163 0.000 1.159 308 R HN 0.287 nan 8.270 nan 0.000 0.450 309 F N -0.048 119.726 119.950 -0.295 0.000 2.620 309 F HA 0.387 4.913 4.527 -0.001 0.000 0.320 309 F C 0.229 175.788 175.800 -0.402 0.000 1.069 309 F CA -1.026 56.813 58.000 -0.267 0.000 0.953 309 F CB 1.801 40.688 39.000 -0.188 0.000 1.322 309 F HN 0.158 nan 8.300 nan 0.000 0.479 310 E N 2.105 122.278 120.200 -0.045 0.000 2.158 310 E HA 0.439 4.788 4.350 -0.001 0.000 0.271 310 E C -1.112 175.504 176.600 0.026 0.000 0.911 310 E CA -0.587 55.782 56.400 -0.051 0.000 0.767 310 E CB 2.537 32.237 29.700 -0.000 0.000 1.120 310 E HN 0.248 nan 8.360 nan 0.000 0.405 311 I N 2.400 122.984 120.570 0.024 0.000 2.412 311 I HA 0.307 4.476 4.170 -0.001 0.000 0.296 311 I C 0.326 176.553 176.117 0.182 0.000 0.987 311 I CA -0.831 60.528 61.300 0.097 0.000 1.180 311 I CB 1.194 39.230 38.000 0.059 0.000 1.340 311 I HN 0.156 nan 8.210 nan 0.000 0.455 312 K N 4.092 124.599 120.400 0.178 0.000 2.182 312 K HA 0.868 5.187 4.320 -0.001 0.000 0.262 312 K C -1.061 175.613 176.600 0.123 0.000 0.957 312 K CA -0.426 55.974 56.287 0.190 0.000 0.842 312 K CB 2.396 34.971 32.500 0.125 0.000 1.099 312 K HN 0.832 nan 8.250 nan 0.000 0.438 313 A N 2.397 125.228 122.820 0.019 0.000 2.594 313 A HA 0.394 4.713 4.320 -0.001 0.000 0.291 313 A C -0.165 177.328 177.584 -0.152 0.000 1.105 313 A CA -0.547 51.372 52.037 -0.196 0.000 0.694 313 A CB 0.909 19.574 19.000 -0.558 0.000 1.291 313 A HN 0.675 nan 8.150 nan 0.000 0.410 314 D N -0.461 119.884 120.400 -0.091 0.000 2.194 314 D HA 0.107 4.746 4.640 -0.001 0.000 0.204 314 D C 0.251 176.463 176.300 -0.147 0.000 0.964 314 D CA 1.604 55.615 54.000 0.018 0.000 0.846 314 D CB 0.296 41.173 40.800 0.128 0.000 0.962 314 D HN 0.215 nan 8.370 nan 0.000 0.490 315 V N 0.896 120.574 119.914 -0.394 0.000 2.638 315 V HA 0.271 4.390 4.120 -0.001 0.000 0.306 315 V C -1.303 174.536 176.094 -0.425 0.000 1.052 315 V CA -0.861 61.194 62.300 -0.408 0.000 0.885 315 V CB 1.780 33.239 31.823 -0.608 0.000 0.999 315 V HN -0.065 nan 8.190 nan 0.000 0.424 316 Y N 2.974 123.259 120.300 -0.025 0.000 2.331 316 Y HA 0.704 5.253 4.550 -0.001 0.000 0.334 316 Y C -0.146 175.724 175.900 -0.051 0.000 0.960 316 Y CA -0.980 57.098 58.100 -0.036 0.000 1.130 316 Y CB 2.158 40.601 38.460 -0.029 0.000 1.164 316 Y HN 0.354 nan 8.280 nan 0.000 0.458 317 V N 5.421 125.305 119.914 -0.049 0.000 2.444 317 V HA 0.385 4.505 4.120 -0.001 0.000 0.294 317 V C -0.430 175.542 176.094 -0.203 0.000 1.022 317 V CA -0.915 61.251 62.300 -0.225 0.000 0.850 317 V CB 1.663 33.129 31.823 -0.594 0.000 0.992 317 V HN 0.608 nan 8.190 nan 0.000 0.426 318 L N 5.191 126.297 121.223 -0.196 0.000 2.265 318 L HA 0.553 4.892 4.340 -0.001 0.000 0.289 318 L C 0.385 177.164 176.870 -0.152 0.000 1.033 318 L CA -0.123 54.620 54.840 -0.162 0.000 0.814 318 L CB 1.578 43.518 42.059 -0.198 0.000 1.203 318 L HN 0.832 nan 8.230 nan 0.000 0.423 319 T N -1.389 113.110 114.554 -0.091 0.000 3.630 319 T HA 0.386 4.736 4.350 -0.001 0.000 0.238 319 T C 0.535 175.245 174.700 0.017 0.000 1.195 319 T CA -0.169 61.915 62.100 -0.027 0.000 1.433 319 T CB 0.995 69.850 68.868 -0.023 0.000 0.940 319 T HN 0.543 nan 8.240 nan 0.000 0.641 320 A N 0.713 123.553 122.820 0.033 0.000 2.387 320 A HA 0.807 5.127 4.320 -0.001 0.000 0.234 320 A C 1.362 179.024 177.584 0.130 0.000 1.253 320 A CA 0.078 52.156 52.037 0.069 0.000 0.894 320 A CB -0.580 18.454 19.000 0.057 0.000 0.963 320 A HN 1.731 nan 8.150 nan 0.000 0.508 321 G N -2.353 106.519 108.800 0.119 0.000 2.663 321 G HA2 0.276 4.235 3.960 -0.001 0.000 0.686 321 G HA3 0.276 4.235 3.960 -0.001 0.000 0.686 321 G C 0.768 175.761 174.900 0.155 0.000 1.288 321 G CA -0.263 44.911 45.100 0.125 0.000 0.836 321 G HN 1.246 nan 8.290 nan 0.000 0.584 322 A N -0.676 122.221 122.820 0.129 0.000 1.902 322 A HA 0.224 4.544 4.320 -0.001 0.000 0.217 322 A C 2.684 180.350 177.584 0.137 0.000 1.181 322 A CA 3.298 55.409 52.037 0.124 0.000 0.623 322 A CB -0.504 18.541 19.000 0.074 0.000 0.818 322 A HN 1.597 nan 8.150 nan 0.000 0.443 323 V N -0.736 119.211 119.914 0.055 0.000 2.346 323 V HA -0.211 3.909 4.120 -0.001 0.000 0.244 323 V C 2.235 178.323 176.094 -0.010 0.000 1.037 323 V CA 2.191 64.492 62.300 0.001 0.000 1.029 323 V CB -1.066 30.641 31.823 -0.193 0.000 0.663 323 V HN 0.741 nan 8.190 nan 0.000 0.454 324 H N -0.366 118.774 119.070 0.116 0.000 2.502 324 H HA -0.020 4.536 4.556 -0.001 0.000 0.283 324 H C 2.260 177.584 175.328 -0.006 0.000 1.015 324 H CA 0.915 56.987 56.048 0.040 0.000 1.298 324 H CB 0.112 29.879 29.762 0.008 0.000 1.411 324 H HN 0.328 nan 8.280 nan 0.000 0.556 325 N N -0.114 118.661 118.700 0.125 0.000 2.084 325 N HA -0.116 4.623 4.740 -0.001 0.000 0.190 325 N C 1.799 177.294 175.510 -0.024 0.000 1.030 325 N CA 1.771 54.827 53.050 0.011 0.000 0.849 325 N CB -0.487 37.995 38.487 -0.009 0.000 1.012 325 N HN 0.300 nan 8.380 nan 0.000 0.423 326 T N 0.875 115.489 114.554 0.100 0.000 2.708 326 T HA -0.175 4.174 4.350 -0.001 0.000 0.266 326 T C 1.831 176.409 174.700 -0.204 0.000 1.037 326 T CA 1.142 63.290 62.100 0.079 0.000 1.146 326 T CB -0.272 68.783 68.868 0.312 0.000 0.865 326 T HN 0.348 nan 8.240 nan 0.000 0.435 327 Q N 0.265 119.848 119.800 -0.363 0.000 2.096 327 Q HA -0.148 4.192 4.340 -0.001 0.000 0.204 327 Q C 2.324 178.062 176.000 -0.437 0.000 0.982 327 Q CA 1.238 56.504 55.803 -0.895 0.000 0.850 327 Q CB -0.266 28.227 28.738 -0.409 0.000 0.901 327 Q HN 0.391 nan 8.270 nan 0.000 0.422 328 L N 0.659 121.757 121.223 -0.209 0.000 2.046 328 L HA -0.143 4.196 4.340 -0.001 0.000 0.208 328 L C 1.969 178.757 176.870 -0.136 0.000 1.077 328 L CA 1.578 56.329 54.840 -0.148 0.000 0.747 328 L CB -0.723 41.273 42.059 -0.105 0.000 0.896 328 L HN 0.316 nan 8.230 nan 0.000 0.432 329 L N -1.677 119.447 121.223 -0.166 0.000 2.017 329 L HA -0.194 4.145 4.340 -0.001 0.000 0.208 329 L C 2.475 179.375 176.870 0.050 0.000 1.073 329 L CA 1.086 55.854 54.840 -0.120 0.000 0.745 329 L CB -0.650 41.237 42.059 -0.285 0.000 0.894 329 L HN 0.091 nan 8.230 nan 0.000 0.432 330 V N 0.018 119.886 119.914 -0.076 0.000 2.343 330 V HA -0.284 3.836 4.120 -0.001 0.000 0.247 330 V C 2.144 178.211 176.094 -0.045 0.000 1.051 330 V CA 2.004 64.280 62.300 -0.040 0.000 1.036 330 V CB -0.685 31.059 31.823 -0.133 0.000 0.654 330 V HN 0.481 nan 8.190 nan 0.000 0.451 331 N N 0.017 118.649 118.700 -0.114 0.000 2.453 331 N HA -0.101 4.639 4.740 -0.001 0.000 0.183 331 N C 1.648 177.132 175.510 -0.043 0.000 1.041 331 N CA 1.254 54.256 53.050 -0.081 0.000 0.900 331 N CB -0.063 38.360 38.487 -0.106 0.000 0.961 331 N HN 0.412 nan 8.380 nan 0.000 0.443 332 S N -1.630 114.073 115.700 0.005 0.000 2.575 332 S HA 0.308 4.778 4.470 -0.001 0.000 0.215 332 S C 1.158 175.749 174.600 -0.016 0.000 0.966 332 S CA 0.357 58.575 58.200 0.030 0.000 0.911 332 S CB 0.555 63.830 63.200 0.124 0.000 0.780 332 S HN 0.545 nan 8.310 nan 0.000 0.514 333 G N 0.948 109.742 108.800 -0.009 0.000 2.179 333 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.220 333 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.220 333 G C -0.040 174.770 174.900 -0.151 0.000 0.990 333 G CA -0.620 44.424 45.100 -0.094 0.000 0.646 333 G HN 0.398 nan 8.290 nan 0.000 0.517 334 F N 0.974 120.898 119.950 -0.043 0.000 2.406 334 F HA 0.510 5.036 4.527 -0.001 0.000 0.327 334 F C 1.758 177.568 175.800 0.017 0.000 1.153 334 F CA 1.216 59.204 58.000 -0.021 0.000 1.218 334 F CB 0.623 39.580 39.000 -0.071 0.000 1.215 334 F HN 0.743 nan 8.300 nan 0.000 0.570 335 G N 1.804 110.746 108.800 0.236 0.000 2.614 335 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.303 335 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.303 335 G C -0.772 174.203 174.900 0.125 0.000 1.270 335 G CA 0.439 45.645 45.100 0.177 0.000 0.988 335 G HN 1.023 nan 8.290 nan 0.000 0.551 336 Q N -1.686 118.195 119.800 0.135 0.000 2.418 336 Q HA 0.731 5.070 4.340 -0.001 0.000 0.282 336 Q C -1.314 174.777 176.000 0.152 0.000 1.044 336 Q CA -1.187 54.680 55.803 0.107 0.000 0.813 336 Q CB 2.015 30.793 28.738 0.066 0.000 1.428 336 Q HN 0.909 nan 8.270 nan 0.000 0.402 337 L N 1.503 122.802 121.223 0.127 0.000 2.395 337 L HA 0.758 5.097 4.340 -0.001 0.000 0.269 337 L C 0.465 177.428 176.870 0.155 0.000 1.133 337 L CA 2.100 57.043 54.840 0.171 0.000 0.812 337 L CB 1.068 43.197 42.059 0.117 0.000 1.125 337 L HN 0.992 nan 8.230 nan 0.000 0.452 338 G N 3.352 112.301 108.800 0.248 0.000 2.712 338 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.683 338 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.683 338 G C -0.534 174.272 174.900 -0.156 0.000 1.320 338 G CA -0.420 44.769 45.100 0.150 0.000 0.847 338 G HN 0.839 nan 8.290 nan 0.000 0.553 339 R N 0.829 120.981 120.500 -0.581 0.000 2.502 339 R HA 0.351 4.690 4.340 -0.001 0.000 0.292 339 R C -1.817 174.071 176.300 -0.687 0.000 0.998 339 R CA -0.469 54.889 56.100 -1.237 0.000 1.056 339 R CB -0.001 29.830 30.300 -0.781 0.000 0.939 339 R HN 0.371 nan 8.270 nan 0.000 0.411 340 P HA 0.047 nan 4.420 nan 0.000 0.272 340 P C -1.331 175.821 177.300 -0.246 0.000 1.223 340 P CA -0.203 62.693 63.100 -0.340 0.000 0.784 340 P CB 0.606 32.145 31.700 -0.267 0.000 0.923 341 N N 2.218 120.830 118.700 -0.147 0.000 2.500 341 N HA 0.213 4.952 4.740 -0.001 0.000 0.291 341 N C -2.370 173.100 175.510 -0.066 0.000 1.092 341 N CA -1.800 51.186 53.050 -0.107 0.000 0.890 341 N CB 1.866 40.298 38.487 -0.093 0.000 1.466 341 N HN 0.038 nan 8.380 nan 0.000 0.507 342 P HA 0.130 nan 4.420 nan 0.000 0.245 342 P C 0.776 178.062 177.300 -0.023 0.000 1.212 342 P CA 0.267 63.347 63.100 -0.033 0.000 0.774 342 P CB 0.248 31.930 31.700 -0.031 0.000 0.999 343 A N -0.526 122.277 122.820 -0.029 0.000 2.119 343 A HA -0.032 4.287 4.320 -0.001 0.000 0.216 343 A C 1.419 178.992 177.584 -0.018 0.000 1.152 343 A CA 0.994 53.018 52.037 -0.022 0.000 0.708 343 A CB -0.573 18.412 19.000 -0.025 0.000 0.805 343 A HN 0.088 nan 8.150 nan 0.000 0.460 344 N N -0.028 118.660 118.700 -0.020 0.000 2.664 344 N HA 0.205 4.945 4.740 -0.001 0.000 0.287 344 N C -3.218 172.288 175.510 -0.007 0.000 1.869 344 N CA -1.516 51.526 53.050 -0.014 0.000 0.832 344 N CB 0.778 39.254 38.487 -0.018 0.000 1.293 344 N HN 0.068 nan 8.380 nan 0.000 0.498 345 P HA 0.111 nan 4.420 nan 0.000 0.264 345 P C -2.461 174.852 177.300 0.023 0.000 1.183 345 P CA -0.470 62.639 63.100 0.015 0.000 0.763 345 P CB -0.031 31.681 31.700 0.020 0.000 0.807 346 P HA 0.099 nan 4.420 nan 0.000 0.274 346 P C 0.858 178.185 177.300 0.044 0.000 1.246 346 P CA -0.199 62.925 63.100 0.041 0.000 0.795 346 P CB 1.243 32.981 31.700 0.063 0.000 1.006 347 E N 0.619 120.838 120.200 0.032 0.000 2.047 347 E HA -0.073 4.276 4.350 -0.001 0.000 0.191 347 E C 0.054 176.688 176.600 0.056 0.000 0.987 347 E CA 0.810 57.228 56.400 0.030 0.000 0.799 347 E CB -0.019 29.685 29.700 0.007 0.000 0.752 347 E HN 0.381 nan 8.360 nan 0.000 0.449 348 L N 1.423 122.689 121.223 0.071 0.000 2.322 348 L HA 0.287 4.627 4.340 -0.001 0.000 0.281 348 L C -0.045 176.952 176.870 0.212 0.000 1.014 348 L CA -0.793 54.132 54.840 0.141 0.000 0.815 348 L CB 1.709 43.816 42.059 0.080 0.000 1.247 348 L HN 0.198 nan 8.230 nan 0.000 0.421 349 L N 3.673 125.044 121.223 0.247 0.000 3.823 349 L HA -0.179 4.160 4.340 -0.001 0.000 0.525 349 L C -1.509 175.476 176.870 0.191 0.000 1.247 349 L CA -0.508 54.476 54.840 0.241 0.000 0.776 349 L CB -0.861 41.370 42.059 0.288 0.000 1.443 349 L HN 0.591 nan 8.230 nan 0.000 0.831 350 P HA -0.090 nan 4.420 nan 0.000 0.228 350 P C 1.253 178.649 177.300 0.160 0.000 1.151 350 P CA 0.925 64.105 63.100 0.133 0.000 0.770 350 P CB 0.343 32.103 31.700 0.099 0.000 0.786 351 S N -0.765 115.050 115.700 0.192 0.000 2.558 351 S HA 0.070 4.540 4.470 -0.001 0.000 0.217 351 S C 0.789 175.546 174.600 0.262 0.000 0.975 351 S CA -0.388 57.968 58.200 0.260 0.000 0.912 351 S CB -0.613 62.737 63.200 0.251 0.000 0.776 351 S HN 0.064 nan 8.310 nan 0.000 0.526 352 L N 2.270 123.627 121.223 0.223 0.000 2.525 352 L HA 0.369 4.708 4.340 -0.001 0.000 0.278 352 L C 1.269 178.280 176.870 0.235 0.000 1.218 352 L CA 1.136 56.110 54.840 0.224 0.000 0.878 352 L CB -0.395 41.786 42.059 0.205 0.000 1.127 352 L HN 0.356 nan 8.230 nan 0.000 0.492 353 G N 2.534 111.482 108.800 0.247 0.000 2.196 353 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.268 353 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.268 353 G C 0.501 175.524 174.900 0.205 0.000 0.975 353 G CA 0.563 45.807 45.100 0.240 0.000 0.648 353 G HN 0.820 nan 8.290 nan 0.000 0.538 354 S N -1.419 114.403 115.700 0.204 0.000 2.713 354 S HA 0.625 5.095 4.470 -0.001 0.000 0.283 354 S C 0.441 175.177 174.600 0.227 0.000 1.161 354 S CA 0.149 58.411 58.200 0.104 0.000 0.999 354 S CB 0.756 63.925 63.200 -0.052 0.000 1.039 354 S HN 0.883 nan 8.310 nan 0.000 0.548 355 Y N -1.217 119.153 120.300 0.116 0.000 4.032 355 Y HA -0.196 4.353 4.550 -0.001 0.000 0.230 355 Y C 0.450 176.430 175.900 0.133 0.000 1.202 355 Y CA 0.136 58.302 58.100 0.110 0.000 1.878 355 Y CB -2.154 36.365 38.460 0.099 0.000 1.586 355 Y HN 0.613 nan 8.280 nan 0.000 0.673 356 I N -0.209 120.507 120.570 0.243 0.000 2.638 356 I HA 0.546 4.715 4.170 -0.001 0.000 0.286 356 I C 0.634 176.904 176.117 0.254 0.000 1.088 356 I CA 0.330 61.769 61.300 0.232 0.000 1.397 356 I CB 1.388 39.521 38.000 0.222 0.000 1.414 356 I HN 0.181 nan 8.210 nan 0.000 0.566 357 T N 1.686 116.341 114.554 0.169 0.000 2.876 357 T HA 0.671 5.021 4.350 -0.001 0.000 0.289 357 T C -0.640 174.053 174.700 -0.012 0.000 1.014 357 T CA -0.689 61.490 62.100 0.133 0.000 0.986 357 T CB 2.111 71.008 68.868 0.048 0.000 1.021 357 T HN 0.781 nan 8.240 nan 0.000 0.458 358 E N 1.025 121.194 120.200 -0.051 0.000 2.314 358 E HA 0.354 4.703 4.350 -0.001 0.000 0.272 358 E C -1.010 175.699 176.600 0.181 0.000 0.884 358 E CA -0.616 55.746 56.400 -0.064 0.000 0.753 358 E CB 2.069 31.545 29.700 -0.374 0.000 1.213 358 E HN 0.711 nan 8.360 nan 0.000 0.432 359 Q N 0.975 120.903 119.800 0.213 0.000 2.352 359 Q HA 0.365 4.704 4.340 -0.001 0.000 0.260 359 Q C -0.347 175.872 176.000 0.364 0.000 0.976 359 Q CA -0.032 55.959 55.803 0.312 0.000 0.881 359 Q CB 0.947 29.936 28.738 0.417 0.000 1.235 359 Q HN 0.425 nan 8.270 nan 0.000 0.419 360 S N 1.543 117.392 115.700 0.249 0.000 2.576 360 S HA 0.331 4.801 4.470 -0.001 0.000 0.276 360 S C -0.696 173.975 174.600 0.118 0.000 1.339 360 S CA -0.484 57.743 58.200 0.045 0.000 1.039 360 S CB 0.419 63.559 63.200 -0.100 0.000 0.902 360 S HN 0.373 nan 8.310 nan 0.000 0.516 361 L N 4.476 125.732 121.223 0.055 0.000 2.406 361 L HA 0.651 4.991 4.340 -0.001 0.000 0.272 361 L C -0.754 175.999 176.870 -0.194 0.000 0.980 361 L CA -0.662 54.113 54.840 -0.109 0.000 0.831 361 L CB 1.535 43.519 42.059 -0.127 0.000 1.253 361 L HN 0.474 nan 8.230 nan 0.000 0.406 362 V N 2.207 121.925 119.914 -0.326 0.000 2.630 362 V HA 0.756 4.875 4.120 -0.001 0.000 0.305 362 V C -0.854 175.126 176.094 -0.190 0.000 1.046 362 V CA -0.635 61.399 62.300 -0.443 0.000 0.934 362 V CB 1.608 32.984 31.823 -0.745 0.000 1.003 362 V HN 0.799 nan 8.190 nan 0.000 0.451 363 F N 4.366 124.119 119.950 -0.327 0.000 2.619 363 F HA 0.852 5.378 4.527 -0.001 0.000 0.308 363 F C -0.407 175.270 175.800 -0.205 0.000 1.097 363 F CA -0.124 57.760 58.000 -0.194 0.000 0.953 363 F CB 1.555 40.487 39.000 -0.112 0.000 1.287 363 F HN 1.194 nan 8.300 nan 0.000 0.446 364 C N 2.296 120.956 119.300 -1.067 0.000 3.320 364 C HA 0.803 5.262 4.460 -0.001 0.000 0.335 364 C C -1.708 172.689 174.990 -0.987 0.000 1.430 364 C CA -0.713 57.691 59.018 -1.022 0.000 1.271 364 C CB 1.688 29.066 27.740 -0.603 0.000 1.609 364 C HN 0.980 nan 8.230 nan 0.000 0.457 365 Q N 0.474 119.961 119.800 -0.522 0.000 2.413 365 Q HA 0.761 5.100 4.340 -0.001 0.000 0.276 365 Q C -0.638 175.381 176.000 0.031 0.000 1.099 365 Q CA -0.221 55.482 55.803 -0.167 0.000 0.814 365 Q CB 2.710 31.334 28.738 -0.191 0.000 1.379 365 Q HN 0.945 nan 8.270 nan 0.000 0.436 366 T N -2.482 112.158 114.554 0.144 0.000 2.908 366 T HA 0.695 5.045 4.350 -0.001 0.000 0.290 366 T C -0.529 174.210 174.700 0.065 0.000 1.034 366 T CA -0.709 61.449 62.100 0.097 0.000 1.010 366 T CB 1.246 70.180 68.868 0.109 0.000 1.068 366 T HN 0.258 nan 8.240 nan 0.000 0.481 367 V N 3.087 123.008 119.914 0.012 0.000 2.370 367 V HA 0.413 4.533 4.120 -0.001 0.000 0.283 367 V C 0.366 176.455 176.094 -0.008 0.000 1.023 367 V CA -0.920 61.379 62.300 -0.003 0.000 0.857 367 V CB 1.109 32.922 31.823 -0.016 0.000 0.985 367 V HN 1.030 nan 8.190 nan 0.000 0.443 368 M N 4.636 124.239 119.600 0.005 0.000 2.250 368 M HA 0.147 4.626 4.480 -0.001 0.000 0.337 368 M C 0.834 177.129 176.300 -0.010 0.000 1.161 368 M CA 0.681 55.987 55.300 0.009 0.000 1.088 368 M CB 0.754 33.359 32.600 0.008 0.000 1.639 368 M HN 0.918 nan 8.290 nan 0.000 0.447 369 S N 2.282 117.975 115.700 -0.012 0.000 2.572 369 S HA 0.118 4.587 4.470 -0.001 0.000 0.279 369 S C 0.950 175.543 174.600 -0.012 0.000 1.341 369 S CA -0.236 57.950 58.200 -0.024 0.000 1.043 369 S CB 0.673 63.854 63.200 -0.031 0.000 0.887 369 S HN 0.805 nan 8.310 nan 0.000 0.516 370 T N 1.954 116.499 114.554 -0.015 0.000 2.720 370 T HA -0.141 4.208 4.350 -0.001 0.000 0.268 370 T C 1.621 176.322 174.700 0.001 0.000 1.037 370 T CA 1.882 63.979 62.100 -0.006 0.000 1.144 370 T CB -0.445 68.417 68.868 -0.010 0.000 0.864 370 T HN 0.765 nan 8.240 nan 0.000 0.444 371 E N 0.469 120.667 120.200 -0.004 0.000 2.077 371 E HA -0.068 4.281 4.350 -0.001 0.000 0.193 371 E C 2.267 178.879 176.600 0.019 0.000 0.989 371 E CA 0.893 57.294 56.400 0.003 0.000 0.800 371 E CB -0.229 29.465 29.700 -0.009 0.000 0.746 371 E HN 0.435 nan 8.360 nan 0.000 0.452 372 L N 0.691 121.927 121.223 0.022 0.000 2.056 372 L HA -0.177 4.162 4.340 -0.001 0.000 0.207 372 L C 2.423 179.326 176.870 0.055 0.000 1.078 372 L CA 0.410 55.277 54.840 0.046 0.000 0.749 372 L CB -0.264 41.821 42.059 0.044 0.000 0.901 372 L HN 0.186 nan 8.230 nan 0.000 0.433 373 I N 0.150 120.738 120.570 0.031 0.000 2.163 373 I HA -0.312 3.857 4.170 -0.001 0.000 0.243 373 I C 2.190 178.331 176.117 0.040 0.000 1.085 373 I CA 1.581 62.895 61.300 0.024 0.000 1.347 373 I CB -1.194 36.810 38.000 0.007 0.000 1.044 373 I HN 0.288 nan 8.210 nan 0.000 0.408 374 D N 0.588 121.011 120.400 0.039 0.000 2.149 374 D HA -0.140 4.499 4.640 -0.001 0.000 0.198 374 D C 2.359 178.701 176.300 0.070 0.000 0.990 374 D CA 1.676 55.703 54.000 0.045 0.000 0.839 374 D CB -0.157 40.663 40.800 0.032 0.000 0.948 374 D HN 0.398 nan 8.370 nan 0.000 0.460 375 S N -0.026 115.726 115.700 0.086 0.000 2.447 375 S HA -0.099 4.371 4.470 -0.001 0.000 0.233 375 S C 2.124 176.861 174.600 0.228 0.000 1.006 375 S CA 0.592 58.874 58.200 0.137 0.000 0.957 375 S CB -0.447 62.830 63.200 0.128 0.000 0.773 375 S HN 0.078 nan 8.310 nan 0.000 0.507 376 V N 2.845 122.868 119.914 0.182 0.000 2.469 376 V HA -0.146 3.974 4.120 -0.001 0.000 0.251 376 V C 2.132 178.336 176.094 0.183 0.000 1.064 376 V CA 2.083 64.513 62.300 0.217 0.000 1.066 376 V CB -0.851 31.014 31.823 0.070 0.000 0.667 376 V HN 0.838 nan 8.190 nan 0.000 0.461 377 K N -0.002 120.476 120.400 0.131 0.000 2.618 377 K HA 0.192 4.512 4.320 -0.001 0.000 0.207 377 K C 1.453 178.109 176.600 0.093 0.000 1.058 377 K CA 0.649 56.997 56.287 0.102 0.000 1.086 377 K CB 0.365 32.909 32.500 0.074 0.000 0.827 377 K HN 0.378 nan 8.250 nan 0.000 0.481 378 S N 0.445 116.220 115.700 0.124 0.000 2.447 378 S HA -0.131 4.339 4.470 -0.001 0.000 0.233 378 S C 0.952 175.573 174.600 0.036 0.000 1.006 378 S CA 1.104 59.347 58.200 0.071 0.000 0.957 378 S CB -0.182 63.051 63.200 0.054 0.000 0.773 378 S HN 0.304 nan 8.310 nan 0.000 0.507 379 D N 0.802 121.236 120.400 0.055 0.000 2.349 379 D HA 0.201 4.841 4.640 -0.001 0.000 0.215 379 D C 0.301 176.639 176.300 0.063 0.000 1.016 379 D CA 0.375 54.391 54.000 0.027 0.000 0.870 379 D CB -0.037 40.762 40.800 -0.001 0.000 0.917 379 D HN 0.372 nan 8.370 nan 0.000 0.524 380 M N 0.222 119.859 119.600 0.061 0.000 2.288 380 M HA 0.211 4.690 4.480 -0.001 0.000 0.334 380 M C 0.346 176.672 176.300 0.044 0.000 1.150 380 M CA -0.011 55.333 55.300 0.073 0.000 1.118 380 M CB 1.035 33.667 32.600 0.054 0.000 1.501 380 M HN -0.356 nan 8.290 nan 0.000 0.462 381 T N 3.605 118.179 114.554 0.034 0.000 2.756 381 T HA 0.660 5.009 4.350 -0.001 0.000 0.290 381 T C -0.238 174.439 174.700 -0.039 0.000 0.985 381 T CA -0.325 61.775 62.100 -0.001 0.000 0.955 381 T CB 0.189 69.053 68.868 -0.006 0.000 0.930 381 T HN 0.363 nan 8.240 nan 0.000 0.451 382 I N 4.218 124.764 120.570 -0.041 0.000 2.382 382 I HA 0.478 4.648 4.170 -0.001 0.000 0.286 382 I C 0.421 176.507 176.117 -0.052 0.000 1.002 382 I CA -0.514 60.732 61.300 -0.090 0.000 1.135 382 I CB 1.248 39.226 38.000 -0.037 0.000 1.288 382 I HN 0.334 nan 8.210 nan 0.000 0.448 383 R N 3.461 123.908 120.500 -0.089 0.000 2.892 383 R HA 0.883 5.222 4.340 -0.001 0.000 0.265 383 R C 0.124 176.438 176.300 0.023 0.000 1.025 383 R CA -0.766 55.321 56.100 -0.021 0.000 0.982 383 R CB 1.945 32.230 30.300 -0.024 0.000 1.185 383 R HN 0.817 nan 8.270 nan 0.000 0.484 384 G N 0.230 109.077 108.800 0.079 0.000 2.681 384 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.220 384 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.220 384 G C -0.709 174.330 174.900 0.232 0.000 1.353 384 G CA -0.144 45.037 45.100 0.135 0.000 0.872 384 G HN 0.759 nan 8.290 nan 0.000 0.557 385 T N -0.048 114.639 114.554 0.221 0.000 2.886 385 T HA 0.720 5.070 4.350 -0.001 0.000 0.292 385 T C -2.879 171.774 174.700 -0.079 0.000 1.012 385 T CA -0.988 61.177 62.100 0.109 0.000 0.982 385 T CB 2.393 71.283 68.868 0.036 0.000 1.018 385 T HN 0.525 nan 8.240 nan 0.000 0.451 386 P HA 0.343 nan 4.420 nan 0.000 0.267 386 P C 1.105 178.190 177.300 -0.358 0.000 1.200 386 P CA 1.163 63.746 63.100 -0.862 0.000 0.772 386 P CB 0.322 31.598 31.700 -0.707 0.000 0.855 387 G N -0.021 108.612 108.800 -0.277 0.000 2.179 387 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.260 387 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.260 387 G C 0.107 174.973 174.900 -0.055 0.000 0.977 387 G CA -0.065 44.963 45.100 -0.120 0.000 0.641 387 G HN 0.541 nan 8.290 nan 0.000 0.533 388 E N -0.077 120.103 120.200 -0.033 0.000 2.336 388 E HA 0.491 4.840 4.350 -0.001 0.000 0.267 388 E C 1.863 178.497 176.600 0.057 0.000 0.906 388 E CA -0.533 55.874 56.400 0.013 0.000 0.781 388 E CB 1.041 30.749 29.700 0.013 0.000 1.261 388 E HN 0.127 nan 8.360 nan 0.000 0.436 389 L N 0.012 121.261 121.223 0.043 0.000 2.113 389 L HA -0.283 4.057 4.340 -0.001 0.000 0.221 389 L C 1.831 178.740 176.870 0.065 0.000 1.084 389 L CA 2.931 57.799 54.840 0.047 0.000 0.787 389 L CB -3.096 38.980 42.059 0.029 0.000 0.893 389 L HN 0.619 nan 8.230 nan 0.000 0.440 390 T N -3.957 110.641 114.554 0.074 0.000 2.962 390 T HA -0.182 4.167 4.350 -0.001 0.000 0.270 390 T C 0.913 175.687 174.700 0.123 0.000 1.088 390 T CA 0.009 62.156 62.100 0.079 0.000 1.127 390 T CB -0.744 68.166 68.868 0.070 0.000 0.883 390 T HN 0.249 nan 8.240 nan 0.000 0.493 391 Y N 3.010 123.311 120.300 0.002 0.000 2.677 391 Y HA 0.400 4.950 4.550 -0.001 0.000 0.335 391 Y C 0.322 176.225 175.900 0.005 0.000 1.162 391 Y CA -0.877 57.225 58.100 0.004 0.000 1.483 391 Y CB 0.074 38.535 38.460 0.001 0.000 1.209 391 Y HN 0.236 nan 8.280 nan 0.000 0.528 392 S N 5.504 121.017 115.700 -0.312 0.000 2.594 392 S HA 0.717 5.186 4.470 -0.001 0.000 0.296 392 S C -1.760 172.590 174.600 -0.416 0.000 1.124 392 S CA -0.705 57.330 58.200 -0.275 0.000 1.011 392 S CB 0.648 63.772 63.200 -0.126 0.000 1.016 392 S HN 0.375 nan 8.310 nan 0.000 0.485 393 V N 4.838 124.550 119.914 -0.336 0.000 2.409 393 V HA 0.761 4.880 4.120 -0.001 0.000 0.291 393 V C 0.264 176.328 176.094 -0.050 0.000 1.020 393 V CA -0.403 61.773 62.300 -0.206 0.000 0.848 393 V CB 1.216 32.940 31.823 -0.166 0.000 0.990 393 V HN 1.038 nan 8.190 nan 0.000 0.430 394 T N 2.026 116.579 114.554 -0.001 0.000 2.883 394 T HA 0.846 5.195 4.350 -0.001 0.000 0.301 394 T C -1.037 173.752 174.700 0.148 0.000 1.158 394 T CA -0.674 61.453 62.100 0.046 0.000 1.007 394 T CB 2.326 71.174 68.868 -0.034 0.000 1.186 394 T HN 0.821 nan 8.240 nan 0.000 0.499 395 Y N -1.396 118.892 120.300 -0.019 0.000 2.677 395 Y HA 0.811 5.360 4.550 -0.001 0.000 0.334 395 Y C -0.861 175.030 175.900 -0.016 0.000 1.154 395 Y CA -1.330 56.761 58.100 -0.015 0.000 1.070 395 Y CB 0.944 39.402 38.460 -0.004 0.000 1.294 395 Y HN 0.617 nan 8.280 nan 0.000 0.475 396 T N 3.760 118.297 114.554 -0.028 0.000 2.947 396 T HA 0.382 4.731 4.350 -0.001 0.000 0.337 396 T C -2.898 171.787 174.700 -0.026 0.000 1.139 396 T CA -1.401 60.633 62.100 -0.109 0.000 0.992 396 T CB 0.478 69.329 68.868 -0.029 0.000 1.043 396 T HN 0.333 nan 8.240 nan 0.000 0.498 397 P HA 0.231 nan 4.420 nan 0.000 0.262 397 P C 1.125 178.450 177.300 0.043 0.000 1.199 397 P CA 0.910 64.040 63.100 0.050 0.000 0.763 397 P CB 0.340 32.018 31.700 -0.036 0.000 0.790 398 G N 2.460 111.306 108.800 0.076 0.000 2.232 398 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.226 398 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.226 398 G C 0.458 175.366 174.900 0.014 0.000 0.996 398 G CA -0.075 45.047 45.100 0.035 0.000 0.626 398 G HN 0.829 nan 8.290 nan 0.000 0.509 399 A N 0.860 123.690 122.820 0.016 0.000 2.565 399 A HA 0.527 4.847 4.320 -0.001 0.000 0.237 399 A C 1.763 179.336 177.584 -0.019 0.000 1.053 399 A CA 1.551 53.586 52.037 -0.003 0.000 0.755 399 A CB 0.212 19.212 19.000 0.001 0.000 0.980 399 A HN 1.768 nan 8.150 nan 0.000 0.506 400 S N 0.961 116.645 115.700 -0.026 0.000 2.489 400 S HA -0.101 4.368 4.470 -0.001 0.000 0.228 400 S C 1.371 175.938 174.600 -0.055 0.000 0.995 400 S CA 1.135 59.313 58.200 -0.037 0.000 0.934 400 S CB -0.615 62.567 63.200 -0.029 0.000 0.771 400 S HN 1.189 nan 8.310 nan 0.000 0.522 401 T N -0.824 113.698 114.554 -0.053 0.000 3.100 401 T HA 0.188 4.537 4.350 -0.001 0.000 0.253 401 T C 0.430 175.071 174.700 -0.099 0.000 1.118 401 T CA -0.421 61.638 62.100 -0.068 0.000 1.058 401 T CB -0.598 68.239 68.868 -0.052 0.000 0.953 401 T HN 0.162 nan 8.240 nan 0.000 0.515 402 N N 2.179 120.819 118.700 -0.100 0.000 2.458 402 N HA 0.214 4.954 4.740 -0.001 0.000 0.258 402 N C 0.801 176.155 175.510 -0.260 0.000 1.219 402 N CA -0.077 52.886 53.050 -0.146 0.000 0.902 402 N CB 1.087 39.512 38.487 -0.103 0.000 1.076 402 N HN 0.105 nan 8.380 nan 0.000 0.455 403 K N 1.047 121.195 120.400 -0.420 0.000 2.305 403 K HA 0.086 4.405 4.320 -0.001 0.000 0.199 403 K C -0.070 175.960 176.600 -0.950 0.000 1.047 403 K CA 1.006 56.881 56.287 -0.686 0.000 0.976 403 K CB 0.089 32.059 32.500 -0.884 0.000 0.765 403 K HN 0.566 nan 8.250 nan 0.000 0.474 404 H N -1.014 117.736 119.070 -0.533 0.000 2.797 404 H HA 0.349 4.904 4.556 -0.001 0.000 0.372 404 H C -2.402 172.581 175.328 -0.575 0.000 1.168 404 H CA -2.628 52.936 56.048 -0.808 0.000 1.163 404 H CB 1.313 30.175 29.762 -1.501 0.000 1.778 404 H HN -0.152 nan 8.280 nan 0.000 0.551 405 P HA 0.066 nan 4.420 nan 0.000 0.277 405 P C 0.329 177.376 177.300 -0.422 0.000 1.271 405 P CA -0.304 62.564 63.100 -0.386 0.000 0.795 405 P CB 1.368 32.832 31.700 -0.393 0.000 1.101 406 D N -0.452 119.837 120.400 -0.185 0.000 2.149 406 D HA -0.091 4.548 4.640 -0.001 0.000 0.201 406 D C 1.902 178.204 176.300 0.004 0.000 0.972 406 D CA 1.134 55.125 54.000 -0.015 0.000 0.835 406 D CB -0.429 40.465 40.800 0.156 0.000 0.966 406 D HN 0.588 nan 8.370 nan 0.000 0.476 407 W N 0.298 121.671 121.300 0.123 0.000 2.374 407 W HA -0.141 4.518 4.660 -0.001 0.000 0.288 407 W C 1.896 178.496 176.519 0.134 0.000 1.218 407 W CA 0.142 57.556 57.345 0.115 0.000 1.245 407 W CB -1.318 28.203 29.460 0.101 0.000 1.126 407 W HN 0.051 nan 8.180 nan 0.000 0.545 408 W N 3.511 124.367 121.300 -0.741 0.000 2.408 408 W HA -0.130 4.530 4.660 -0.001 0.000 0.311 408 W C 1.911 178.177 176.519 -0.421 0.000 1.190 408 W CA 1.543 58.488 57.345 -0.668 0.000 1.321 408 W CB -1.096 27.694 29.460 -1.117 0.000 1.143 408 W HN -0.143 nan 8.180 nan 0.000 0.501 409 N N 1.118 119.759 118.700 -0.098 0.000 2.104 409 N HA -0.226 4.513 4.740 -0.001 0.000 0.190 409 N C 1.514 176.728 175.510 -0.493 0.000 1.024 409 N CA 2.126 54.898 53.050 -0.463 0.000 0.853 409 N CB -0.768 37.046 38.487 -1.122 0.000 1.008 409 N HN 0.203 nan 8.380 nan 0.000 0.424 410 E N 1.438 121.490 120.200 -0.248 0.000 2.058 410 E HA -0.112 4.237 4.350 -0.001 0.000 0.194 410 E C 1.646 178.288 176.600 0.071 0.000 0.997 410 E CA 1.424 57.869 56.400 0.075 0.000 0.801 410 E CB -0.020 29.798 29.700 0.196 0.000 0.746 410 E HN 0.296 nan 8.360 nan 0.000 0.450 411 K N -0.580 119.852 120.400 0.053 0.000 2.026 411 K HA -0.100 4.220 4.320 -0.001 0.000 0.208 411 K C 2.136 178.739 176.600 0.005 0.000 1.048 411 K CA 1.457 57.767 56.287 0.037 0.000 0.929 411 K CB -0.176 32.332 32.500 0.014 0.000 0.713 411 K HN 0.028 nan 8.250 nan 0.000 0.439 412 V N 1.868 121.752 119.914 -0.051 0.000 2.358 412 V HA -0.234 3.886 4.120 -0.001 0.000 0.246 412 V C 2.365 178.491 176.094 0.055 0.000 1.047 412 V CA 1.569 63.850 62.300 -0.032 0.000 1.035 412 V CB -0.373 31.423 31.823 -0.045 0.000 0.658 412 V HN 0.326 nan 8.190 nan 0.000 0.452 413 K N 0.237 120.664 120.400 0.046 0.000 2.025 413 K HA -0.204 4.116 4.320 -0.001 0.000 0.207 413 K C 2.030 178.692 176.600 0.104 0.000 1.049 413 K CA 1.736 58.081 56.287 0.097 0.000 0.933 413 K CB -0.195 32.417 32.500 0.187 0.000 0.714 413 K HN 0.406 nan 8.250 nan 0.000 0.438 414 N N 0.526 119.294 118.700 0.113 0.000 2.120 414 N HA -0.188 4.551 4.740 -0.001 0.000 0.188 414 N C 1.735 177.319 175.510 0.122 0.000 1.024 414 N CA 1.395 54.509 53.050 0.107 0.000 0.852 414 N CB -0.658 37.897 38.487 0.112 0.000 1.003 414 N HN 0.416 nan 8.380 nan 0.000 0.424 415 H N 0.545 119.648 119.070 0.054 0.000 2.293 415 H HA 0.073 4.628 4.556 -0.001 0.000 0.300 415 H C 2.053 177.442 175.328 0.102 0.000 1.082 415 H CA 1.873 57.963 56.048 0.070 0.000 1.308 415 H CB -0.150 29.556 29.762 -0.093 0.000 1.375 415 H HN 0.104 nan 8.280 nan 0.000 0.495 416 M N -1.075 118.545 119.600 0.035 0.000 2.159 416 M HA -0.126 4.353 4.480 -0.001 0.000 0.263 416 M C 2.197 178.564 176.300 0.111 0.000 1.063 416 M CA 1.588 56.919 55.300 0.052 0.000 1.110 416 M CB -0.057 32.633 32.600 0.149 0.000 1.374 416 M HN 0.371 nan 8.290 nan 0.000 0.411 417 M N 0.081 119.728 119.600 0.079 0.000 2.287 417 M HA -0.092 4.387 4.480 -0.001 0.000 0.266 417 M C 1.859 178.165 176.300 0.011 0.000 1.079 417 M CA 1.788 57.141 55.300 0.089 0.000 1.146 417 M CB -0.018 32.610 32.600 0.046 0.000 1.374 417 M HN 0.140 nan 8.290 nan 0.000 0.435 418 Q N -1.249 118.500 119.800 -0.086 0.000 2.398 418 Q HA 0.022 4.361 4.340 -0.001 0.000 0.204 418 Q C -0.156 175.529 176.000 -0.525 0.000 0.932 418 Q CA 0.612 56.251 55.803 -0.272 0.000 0.916 418 Q CB 0.338 28.882 28.738 -0.323 0.000 1.024 418 Q HN 0.538 nan 8.270 nan 0.000 0.504 419 H N 0.382 119.372 119.070 -0.134 0.000 2.380 419 H HA 0.200 4.755 4.556 -0.001 0.000 0.231 419 H C 0.062 175.302 175.328 -0.146 0.000 1.415 419 H CA -0.084 55.885 56.048 -0.132 0.000 1.433 419 H CB 0.618 30.251 29.762 -0.215 0.000 1.544 419 H HN 0.229 nan 8.280 nan 0.000 0.503 420 Q N 0.573 120.360 119.800 -0.022 0.000 2.436 420 Q HA -0.116 4.224 4.340 -0.001 0.000 0.209 420 Q C 1.078 177.017 176.000 -0.103 0.000 0.965 420 Q CA 1.002 56.748 55.803 -0.095 0.000 0.910 420 Q CB 0.396 29.026 28.738 -0.182 0.000 0.980 420 Q HN 0.492 nan 8.270 nan 0.000 0.491 421 E N 0.563 120.752 120.200 -0.019 0.000 2.481 421 E HA -0.026 4.323 4.350 -0.001 0.000 0.195 421 E C -0.303 176.324 176.600 0.046 0.000 1.047 421 E CA 0.317 56.718 56.400 0.003 0.000 0.867 421 E CB -0.153 29.564 29.700 0.030 0.000 0.858 421 E HN 0.130 nan 8.360 nan 0.000 0.513 422 D N 1.622 122.067 120.400 0.075 0.000 2.277 422 D HA 0.133 4.772 4.640 -0.001 0.000 0.249 422 D C -1.523 174.828 176.300 0.085 0.000 1.134 422 D CA -2.126 51.949 54.000 0.126 0.000 0.863 422 D CB 1.281 42.184 40.800 0.172 0.000 1.143 422 D HN -0.164 nan 8.370 nan 0.000 0.458 423 P HA 0.069 nan 4.420 nan 0.000 0.245 423 P C -0.201 177.139 177.300 0.066 0.000 1.212 423 P CA 0.252 63.388 63.100 0.060 0.000 0.774 423 P CB 0.308 32.035 31.700 0.044 0.000 0.999 424 L N 1.718 122.993 121.223 0.086 0.000 2.325 424 L HA 0.358 4.698 4.340 -0.001 0.000 0.278 424 L C -1.424 175.475 176.870 0.049 0.000 1.023 424 L CA -2.278 52.586 54.840 0.040 0.000 0.811 424 L CB 2.467 44.521 42.059 -0.008 0.000 1.249 424 L HN -0.287 nan 8.230 nan 0.000 0.431 425 P HA 0.095 nan 4.420 nan 0.000 0.249 425 P C 0.175 177.322 177.300 -0.254 0.000 1.229 425 P CA 0.480 63.571 63.100 -0.015 0.000 0.788 425 P CB 0.310 32.007 31.700 -0.005 0.000 1.072 426 I N 1.958 122.291 120.570 -0.395 0.000 2.395 426 I HA 0.225 4.394 4.170 -0.001 0.000 0.289 426 I C -2.116 173.461 176.117 -0.900 0.000 1.023 426 I CA -2.811 58.185 61.300 -0.505 0.000 1.350 426 I CB 0.706 38.508 38.000 -0.329 0.000 1.409 426 I HN -0.268 nan 8.210 nan 0.000 0.507 427 P HA -0.031 nan 4.420 nan 0.000 0.266 427 P C 0.272 177.309 177.300 -0.438 0.000 1.193 427 P CA 0.135 62.845 63.100 -0.650 0.000 0.770 427 P CB 0.321 31.877 31.700 -0.241 0.000 0.836 428 F N 0.787 120.632 119.950 -0.176 0.000 2.216 428 F HA -0.111 4.416 4.527 -0.001 0.000 0.300 428 F C 1.682 177.441 175.800 -0.068 0.000 1.085 428 F CA 1.559 59.495 58.000 -0.107 0.000 1.326 428 F CB -0.786 38.165 39.000 -0.082 0.000 1.027 428 F HN 0.403 nan 8.300 nan 0.000 0.497 429 E N -0.469 119.800 120.200 0.115 0.000 2.451 429 E HA 0.015 4.364 4.350 -0.001 0.000 0.194 429 E C -0.291 176.323 176.600 0.023 0.000 1.027 429 E CA -0.248 56.197 56.400 0.075 0.000 0.914 429 E CB -0.125 29.623 29.700 0.080 0.000 1.054 429 E HN 0.167 nan 8.360 nan 0.000 0.461 430 D N 2.470 122.858 120.400 -0.020 0.000 2.450 430 D HA 0.030 4.670 4.640 -0.001 0.000 0.247 430 D C -2.259 174.051 176.300 0.016 0.000 1.162 430 D CA -1.632 52.345 54.000 -0.038 0.000 0.879 430 D CB 0.806 41.539 40.800 -0.110 0.000 1.163 430 D HN -0.134 nan 8.370 nan 0.000 0.472 431 P HA 0.048 nan 4.420 nan 0.000 0.271 431 P C -0.340 177.069 177.300 0.182 0.000 1.233 431 P CA -0.294 62.897 63.100 0.151 0.000 0.789 431 P CB 0.341 32.147 31.700 0.177 0.000 0.951 432 E N 1.738 122.063 120.200 0.209 0.000 2.392 432 E HA 0.199 4.549 4.350 -0.001 0.000 0.256 432 E C -2.465 174.178 176.600 0.072 0.000 1.145 432 E CA -1.908 54.545 56.400 0.088 0.000 0.929 432 E CB -1.059 28.652 29.700 0.020 0.000 0.998 432 E HN 0.226 nan 8.360 nan 0.000 0.442 433 P HA 0.091 nan 4.420 nan 0.000 0.272 433 P C -0.500 176.819 177.300 0.032 0.000 1.223 433 P CA -0.051 63.119 63.100 0.117 0.000 0.784 433 P CB 0.426 32.134 31.700 0.012 0.000 0.923 434 Q N 0.799 120.723 119.800 0.206 0.000 3.662 434 Q HA 0.312 4.651 4.340 -0.001 0.000 0.237 434 Q C -1.184 174.904 176.000 0.147 0.000 0.895 434 Q CA -0.275 55.516 55.803 -0.020 0.000 0.767 434 Q CB 1.228 29.703 28.738 -0.437 0.000 1.469 434 Q HN 0.179 nan 8.270 nan 0.000 0.424 435 V N 0.589 120.539 119.914 0.060 0.000 2.581 435 V HA 0.730 4.850 4.120 -0.001 0.000 0.303 435 V C 0.097 176.202 176.094 0.019 0.000 1.041 435 V CA -0.424 61.910 62.300 0.058 0.000 0.907 435 V CB 2.101 33.899 31.823 -0.041 0.000 0.994 435 V HN 0.436 nan 8.190 nan 0.000 0.442 436 T N 1.879 116.484 114.554 0.085 0.000 2.916 436 T HA 0.485 4.834 4.350 -0.001 0.000 0.305 436 T C -0.914 173.780 174.700 -0.010 0.000 1.119 436 T CA -0.307 61.800 62.100 0.013 0.000 1.008 436 T CB 1.822 70.683 68.868 -0.011 0.000 1.129 436 T HN 0.816 nan 8.240 nan 0.000 0.480 437 T N 4.687 119.106 114.554 -0.224 0.000 2.772 437 T HA 0.607 4.957 4.350 -0.001 0.000 0.288 437 T C -0.125 174.463 174.700 -0.187 0.000 0.994 437 T CA -0.598 61.215 62.100 -0.478 0.000 0.951 437 T CB -0.087 68.090 68.868 -1.152 0.000 0.933 437 T HN 0.511 nan 8.240 nan 0.000 0.447 438 L N 4.660 125.837 121.223 -0.076 0.000 2.439 438 L HA 0.374 4.714 4.340 -0.001 0.000 0.269 438 L C 0.697 177.575 176.870 0.013 0.000 1.179 438 L CA -0.888 53.980 54.840 0.046 0.000 0.828 438 L CB 0.190 42.268 42.059 0.032 0.000 1.106 438 L HN 0.642 nan 8.230 nan 0.000 0.467 439 F N 3.396 123.282 119.950 -0.107 0.000 2.537 439 F HA -0.127 4.399 4.527 -0.001 0.000 0.402 439 F C 0.279 175.823 175.800 -0.428 0.000 1.005 439 F CA 0.688 58.526 58.000 -0.271 0.000 1.203 439 F CB 0.051 38.947 39.000 -0.175 0.000 0.955 439 F HN 0.411 nan 8.300 nan 0.000 0.547 440 Q N 6.896 126.162 119.800 -0.891 0.000 2.456 440 Q HA 0.273 4.612 4.340 -0.001 0.000 0.283 440 Q C -1.985 173.557 176.000 -0.764 0.000 1.084 440 Q CA -1.814 53.569 55.803 -0.700 0.000 0.801 440 Q CB 1.469 29.708 28.738 -0.831 0.000 1.434 440 Q HN 0.234 nan 8.270 nan 0.000 0.419 441 P HA -0.192 nan 4.420 nan 0.000 0.216 441 P C 1.253 178.343 177.300 -0.349 0.000 1.153 441 P CA 2.012 64.935 63.100 -0.295 0.000 0.858 441 P CB 0.212 31.831 31.700 -0.135 0.000 0.789 442 S N -1.043 114.467 115.700 -0.317 0.000 2.515 442 S HA -0.142 4.328 4.470 -0.001 0.000 0.231 442 S C 0.525 174.943 174.600 -0.303 0.000 0.987 442 S CA 0.434 58.509 58.200 -0.209 0.000 0.936 442 S CB -1.351 61.820 63.200 -0.049 0.000 0.766 442 S HN 0.452 nan 8.310 nan 0.000 0.528 443 H N -1.664 116.958 119.070 -0.746 0.000 2.661 443 H HA 0.465 5.021 4.556 -0.001 0.000 0.243 443 H C -3.263 170.943 175.328 -1.869 0.000 1.410 443 H CA -1.702 53.487 56.048 -1.433 0.000 1.509 443 H CB 0.394 29.576 29.762 -0.967 0.000 1.761 443 H HN 0.075 nan 8.280 nan 0.000 0.576 444 P HA 0.092 nan 4.420 nan 0.000 0.220 444 P C -1.231 175.492 177.300 -0.962 0.000 1.806 444 P CA 0.234 62.296 63.100 -1.730 0.000 0.976 444 P CB -1.074 30.134 31.700 -0.820 0.000 1.952 445 W N -0.348 120.652 121.300 -0.501 0.000 3.137 445 W HA 0.536 5.196 4.660 -0.001 0.000 0.324 445 W C -1.014 175.592 176.519 0.146 0.000 1.253 445 W CA -1.249 56.121 57.345 0.043 0.000 1.183 445 W CB 0.126 29.627 29.460 0.068 0.000 1.424 445 W HN -0.009 nan 8.180 nan 0.000 0.566 446 H N 0.929 120.267 119.070 0.446 0.000 2.481 446 H HA 0.716 5.272 4.556 -0.001 0.000 0.339 446 H C -0.308 175.169 175.328 0.249 0.000 1.131 446 H CA 0.171 56.387 56.048 0.280 0.000 1.301 446 H CB 1.600 31.490 29.762 0.214 0.000 1.476 446 H HN 0.566 nan 8.280 nan 0.000 0.529 447 T N 2.302 116.501 114.554 -0.592 0.000 2.861 447 T HA 0.482 4.831 4.350 -0.001 0.000 0.287 447 T C -0.708 173.694 174.700 -0.497 0.000 1.003 447 T CA -1.101 60.662 62.100 -0.560 0.000 0.977 447 T CB 1.498 69.952 68.868 -0.690 0.000 0.996 447 T HN 0.665 nan 8.240 nan 0.000 0.448 448 Q N 2.190 121.891 119.800 -0.165 0.000 2.321 448 Q HA 0.574 4.914 4.340 -0.001 0.000 0.270 448 Q C -1.108 174.791 176.000 -0.168 0.000 1.032 448 Q CA -0.672 54.974 55.803 -0.262 0.000 0.784 448 Q CB 2.570 31.078 28.738 -0.385 0.000 1.264 448 Q HN 0.722 nan 8.270 nan 0.000 0.448 449 I N 3.770 124.196 120.570 -0.240 0.000 2.537 449 I HA 0.361 4.530 4.170 -0.001 0.000 0.276 449 I C -0.380 175.634 176.117 -0.172 0.000 1.063 449 I CA -0.260 60.797 61.300 -0.406 0.000 1.144 449 I CB 0.414 38.059 38.000 -0.591 0.000 1.252 449 I HN 0.785 nan 8.210 nan 0.000 0.480 450 H N 3.855 122.744 119.070 -0.301 0.000 3.255 450 H HA 0.631 5.186 4.556 -0.001 0.000 0.273 450 H C -1.260 173.992 175.328 -0.126 0.000 1.573 450 H CA -1.286 54.653 56.048 -0.182 0.000 1.198 450 H CB 1.346 31.023 29.762 -0.142 0.000 1.880 450 H HN 0.115 nan 8.280 nan 0.000 0.747 451 R N 1.083 121.334 120.500 -0.414 0.000 2.574 451 R HA 0.289 4.628 4.340 -0.001 0.000 0.288 451 R C -1.528 174.452 176.300 -0.532 0.000 1.004 451 R CA -0.497 55.363 56.100 -0.400 0.000 0.895 451 R CB 1.896 32.115 30.300 -0.134 0.000 1.191 451 R HN 0.915 nan 8.270 nan 0.000 0.444 452 D N 0.461 120.612 120.400 -0.415 0.000 2.727 452 D HA 0.480 5.119 4.640 -0.001 0.000 0.264 452 D C -0.546 175.739 176.300 -0.026 0.000 1.101 452 D CA -0.806 53.063 54.000 -0.218 0.000 1.122 452 D CB 0.188 40.886 40.800 -0.170 0.000 1.390 452 D HN 0.399 nan 8.370 nan 0.000 0.606 453 A N -0.545 122.290 122.820 0.024 0.000 2.546 453 A HA 0.424 4.744 4.320 -0.001 0.000 0.243 453 A C -0.817 176.830 177.584 0.104 0.000 1.063 453 A CA 0.181 52.271 52.037 0.088 0.000 0.757 453 A CB -0.844 18.241 19.000 0.142 0.000 0.991 453 A HN 0.473 nan 8.150 nan 0.000 0.503 454 F N 1.457 121.323 119.950 -0.141 0.000 2.650 454 F HA 0.437 4.963 4.527 -0.001 0.000 0.310 454 F C 0.000 175.524 175.800 -0.460 0.000 1.112 454 F CA -0.286 57.525 58.000 -0.316 0.000 0.986 454 F CB 1.919 40.689 39.000 -0.384 0.000 1.285 454 F HN 0.535 nan 8.300 nan 0.000 0.440 455 S N 3.839 118.999 115.700 -0.900 0.000 2.415 455 S HA 0.403 4.873 4.470 -0.001 0.000 0.313 455 S C -1.203 173.150 174.600 -0.412 0.000 1.067 455 S CA -0.491 57.391 58.200 -0.529 0.000 1.099 455 S CB -0.245 62.677 63.200 -0.464 0.000 0.991 455 S HN 0.430 nan 8.310 nan 0.000 0.491 456 Y N 2.583 122.978 120.300 0.158 0.000 2.480 456 Y HA 0.425 4.974 4.550 -0.001 0.000 0.341 456 Y C 1.546 177.510 175.900 0.108 0.000 1.031 456 Y CA -0.032 58.195 58.100 0.212 0.000 1.295 456 Y CB -0.088 38.486 38.460 0.190 0.000 1.162 456 Y HN 0.879 nan 8.280 nan 0.000 0.523 457 G N 1.557 110.496 108.800 0.232 0.000 2.771 457 G HA2 0.183 4.142 3.960 -0.001 0.000 0.242 457 G HA3 0.183 4.142 3.960 -0.001 0.000 0.242 457 G C 0.823 175.818 174.900 0.157 0.000 1.233 457 G CA -0.055 45.134 45.100 0.149 0.000 0.858 457 G HN 0.889 nan 8.290 nan 0.000 0.591 458 A N -0.452 122.428 122.820 0.101 0.000 2.255 458 A HA 0.283 4.602 4.320 -0.001 0.000 0.206 458 A C 1.755 179.383 177.584 0.073 0.000 1.193 458 A CA 1.517 53.603 52.037 0.082 0.000 0.794 458 A CB -0.232 18.800 19.000 0.055 0.000 0.794 458 A HN 1.163 nan 8.150 nan 0.000 0.481 459 V N -4.318 115.648 119.914 0.086 0.000 3.431 459 V HA -0.034 4.085 4.120 -0.001 0.000 0.255 459 V C 1.747 177.880 176.094 0.065 0.000 1.403 459 V CA 0.484 62.822 62.300 0.064 0.000 1.101 459 V CB -0.841 31.014 31.823 0.053 0.000 0.891 459 V HN 0.445 nan 8.190 nan 0.000 0.446 460 Q N 1.187 121.058 119.800 0.117 0.000 2.181 460 Q HA -0.202 4.137 4.340 -0.001 0.000 0.205 460 Q C 2.069 178.056 176.000 -0.023 0.000 0.980 460 Q CA 1.861 57.731 55.803 0.112 0.000 0.862 460 Q CB -0.348 28.620 28.738 0.383 0.000 0.905 460 Q HN 0.703 nan 8.270 nan 0.000 0.429 461 Q N 0.205 120.051 119.800 0.077 0.000 2.291 461 Q HA -0.073 4.266 4.340 -0.001 0.000 0.205 461 Q C 1.988 177.984 176.000 -0.006 0.000 0.970 461 Q CA 0.829 56.649 55.803 0.028 0.000 0.876 461 Q CB -0.064 28.723 28.738 0.081 0.000 0.935 461 Q HN 0.206 nan 8.270 nan 0.000 0.455 462 S N -0.135 115.568 115.700 0.004 0.000 2.453 462 S HA -0.024 4.445 4.470 -0.001 0.000 0.231 462 S C 0.818 175.405 174.600 -0.021 0.000 1.005 462 S CA 0.292 58.491 58.200 -0.001 0.000 0.949 462 S CB 0.232 63.440 63.200 0.012 0.000 0.774 462 S HN 0.118 nan 8.310 nan 0.000 0.510 463 I N 2.477 123.018 120.570 -0.050 0.000 2.385 463 I HA 0.279 4.449 4.170 -0.001 0.000 0.294 463 I C 0.315 176.382 176.117 -0.083 0.000 0.988 463 I CA -1.182 60.083 61.300 -0.059 0.000 1.265 463 I CB 0.937 38.892 38.000 -0.075 0.000 1.388 463 I HN 0.117 nan 8.210 nan 0.000 0.480 464 D N 3.802 124.172 120.400 -0.049 0.000 2.458 464 D HA -0.047 4.592 4.640 -0.001 0.000 0.243 464 D C 1.102 177.360 176.300 -0.070 0.000 1.146 464 D CA 0.204 54.181 54.000 -0.039 0.000 0.877 464 D CB 1.177 41.978 40.800 0.001 0.000 1.176 464 D HN 0.634 nan 8.370 nan 0.000 0.461 465 S N 3.976 119.632 115.700 -0.074 0.000 2.481 465 S HA -0.099 4.370 4.470 -0.001 0.000 0.231 465 S C 1.637 176.204 174.600 -0.054 0.000 0.996 465 S CA 0.285 58.424 58.200 -0.102 0.000 0.942 465 S CB 0.027 63.178 63.200 -0.082 0.000 0.768 465 S HN 0.521 nan 8.310 nan 0.000 0.520 466 R N 0.747 121.230 120.500 -0.029 0.000 2.193 466 R HA 0.171 4.510 4.340 -0.001 0.000 0.229 466 R C 1.666 177.942 176.300 -0.041 0.000 1.110 466 R CA 1.051 57.130 56.100 -0.035 0.000 0.988 466 R CB -0.508 29.764 30.300 -0.047 0.000 0.871 466 R HN 0.453 nan 8.270 nan 0.000 0.458 467 L N 0.274 121.473 121.223 -0.040 0.000 2.509 467 L HA 0.140 4.480 4.340 -0.001 0.000 0.222 467 L C 0.642 177.500 176.870 -0.020 0.000 1.123 467 L CA 0.204 55.026 54.840 -0.030 0.000 0.856 467 L CB 0.111 42.151 42.059 -0.031 0.000 0.985 467 L HN 0.057 nan 8.230 nan 0.000 0.456 468 I N 0.244 120.792 120.570 -0.035 0.000 2.359 468 I HA 0.283 4.452 4.170 -0.001 0.000 0.294 468 I C -0.662 175.453 176.117 -0.003 0.000 0.987 468 I CA -0.497 60.788 61.300 -0.025 0.000 1.225 468 I CB 1.898 39.849 38.000 -0.082 0.000 1.366 468 I HN -0.304 nan 8.210 nan 0.000 0.466 469 V N 4.556 124.492 119.914 0.037 0.000 2.638 469 V HA 0.341 4.460 4.120 -0.001 0.000 0.306 469 V C -0.873 175.210 176.094 -0.017 0.000 1.052 469 V CA -0.897 61.392 62.300 -0.017 0.000 0.885 469 V CB 2.047 33.852 31.823 -0.030 0.000 0.999 469 V HN 0.572 nan 8.190 nan 0.000 0.424 470 D N 2.646 122.974 120.400 -0.120 0.000 2.210 470 D HA 0.442 5.081 4.640 -0.001 0.000 0.249 470 D C -0.991 175.221 176.300 -0.147 0.000 1.062 470 D CA 0.062 54.030 54.000 -0.053 0.000 0.891 470 D CB 1.421 42.254 40.800 0.055 0.000 1.186 470 D HN 0.479 nan 8.370 nan 0.000 0.432 471 W N 1.491 122.740 121.300 -0.085 0.000 2.475 471 W HA 0.415 5.074 4.660 -0.001 0.000 0.320 471 W C 0.236 176.782 176.519 0.044 0.000 1.022 471 W CA -0.853 56.486 57.345 -0.010 0.000 1.240 471 W CB 1.228 30.569 29.460 -0.198 0.000 1.328 471 W HN -0.077 nan 8.180 nan 0.000 0.439 472 R N 3.150 123.870 120.500 0.366 0.000 2.451 472 R HA 0.510 4.850 4.340 -0.001 0.000 0.307 472 R C -1.449 175.051 176.300 0.334 0.000 0.965 472 R CA -0.892 55.335 56.100 0.211 0.000 0.865 472 R CB 1.564 31.918 30.300 0.089 0.000 1.174 472 R HN 0.165 nan 8.270 nan 0.000 0.455 473 F N 2.903 122.726 119.950 -0.211 0.000 2.469 473 F HA 0.490 5.016 4.527 -0.001 0.000 0.332 473 F C -0.236 175.452 175.800 -0.187 0.000 1.103 473 F CA -1.563 56.392 58.000 -0.076 0.000 0.979 473 F CB 1.031 39.954 39.000 -0.129 0.000 1.137 473 F HN 0.296 nan 8.300 nan 0.000 0.463 474 F N 1.246 121.396 119.950 0.333 0.000 2.449 474 F HA 0.649 5.175 4.527 -0.001 0.000 0.342 474 F C 0.672 176.689 175.800 0.361 0.000 1.127 474 F CA -1.152 57.045 58.000 0.328 0.000 0.975 474 F CB 1.351 40.588 39.000 0.396 0.000 1.146 474 F HN 0.523 nan 8.300 nan 0.000 0.444 475 G N 2.134 111.198 108.800 0.440 0.000 2.451 475 G HA2 0.590 4.549 3.960 -0.001 0.000 0.303 475 G HA3 0.590 4.549 3.960 -0.001 0.000 0.303 475 G C -0.763 174.340 174.900 0.338 0.000 1.166 475 G CA -1.050 44.283 45.100 0.389 0.000 0.884 475 G HN 0.729 nan 8.290 nan 0.000 0.514 476 R N -0.532 120.155 120.500 0.312 0.000 2.404 476 R HA 0.618 4.957 4.340 -0.001 0.000 0.291 476 R C -0.983 175.417 176.300 0.167 0.000 1.025 476 R CA -0.537 55.667 56.100 0.173 0.000 0.991 476 R CB 1.123 31.527 30.300 0.173 0.000 1.053 476 R HN 0.268 nan 8.270 nan 0.000 0.479 477 T N 1.972 116.596 114.554 0.116 0.000 2.792 477 T HA 0.124 4.473 4.350 -0.001 0.000 0.280 477 T C -0.654 174.125 174.700 0.132 0.000 0.990 477 T CA -0.642 61.579 62.100 0.201 0.000 0.960 477 T CB 1.403 70.469 68.868 0.330 0.000 0.939 477 T HN 0.628 nan 8.240 nan 0.000 0.439 478 E N 4.397 124.680 120.200 0.140 0.000 2.366 478 E HA 0.106 4.455 4.350 -0.001 0.000 0.266 478 E C -2.135 174.543 176.600 0.129 0.000 1.015 478 E CA -1.760 54.710 56.400 0.117 0.000 0.906 478 E CB 0.527 30.289 29.700 0.103 0.000 0.979 478 E HN 0.217 nan 8.360 nan 0.000 0.443 479 P HA 0.097 nan 4.420 nan 0.000 0.276 479 P C -1.210 176.251 177.300 0.268 0.000 1.253 479 P CA 0.149 63.386 63.100 0.228 0.000 0.766 479 P CB 0.611 32.461 31.700 0.249 0.000 0.845 480 K N 2.693 123.196 120.400 0.172 0.000 2.427 480 K HA 0.165 4.484 4.320 -0.001 0.000 0.252 480 K C 0.906 177.350 176.600 -0.261 0.000 0.931 480 K CA -0.658 55.642 56.287 0.021 0.000 0.793 480 K CB 2.551 35.027 32.500 -0.040 0.000 1.211 480 K HN 0.440 nan 8.250 nan 0.000 0.426 481 E N 2.238 122.135 120.200 -0.505 0.000 2.153 481 E HA -0.200 4.149 4.350 -0.001 0.000 0.194 481 E C 1.064 177.419 176.600 -0.409 0.000 0.988 481 E CA 1.412 57.276 56.400 -0.893 0.000 0.811 481 E CB 0.447 29.823 29.700 -0.540 0.000 0.746 481 E HN 0.551 nan 8.360 nan 0.000 0.466 482 E N 0.479 120.541 120.200 -0.230 0.000 2.338 482 E HA -0.131 4.219 4.350 -0.001 0.000 0.197 482 E C -0.021 176.520 176.600 -0.098 0.000 1.007 482 E CA 0.372 56.689 56.400 -0.137 0.000 0.849 482 E CB -0.334 29.302 29.700 -0.108 0.000 0.774 482 E HN 0.090 nan 8.360 nan 0.000 0.506 483 N N 2.017 120.655 118.700 -0.104 0.000 2.411 483 N HA 0.175 4.914 4.740 -0.001 0.000 0.259 483 N C -0.705 174.869 175.510 0.107 0.000 1.103 483 N CA 0.163 53.214 53.050 0.000 0.000 0.954 483 N CB 1.059 39.535 38.487 -0.018 0.000 1.085 483 N HN 0.123 nan 8.380 nan 0.000 0.485 484 K N 1.152 121.669 120.400 0.194 0.000 2.469 484 K HA 0.466 4.786 4.320 -0.001 0.000 0.254 484 K C -1.133 175.631 176.600 0.274 0.000 0.939 484 K CA -0.924 55.492 56.287 0.215 0.000 0.812 484 K CB 2.451 35.071 32.500 0.200 0.000 1.301 484 K HN 0.195 nan 8.250 nan 0.000 0.433 485 L N 3.652 124.984 121.223 0.182 0.000 2.298 485 L HA 0.578 4.917 4.340 -0.001 0.000 0.284 485 L C -1.261 175.540 176.870 -0.114 0.000 1.013 485 L CA -0.064 54.718 54.840 -0.096 0.000 0.824 485 L CB 0.548 42.555 42.059 -0.087 0.000 1.221 485 L HN 0.691 nan 8.230 nan 0.000 0.418 486 W N 3.567 124.575 121.300 -0.487 0.000 3.021 486 W HA 0.669 5.328 4.660 -0.001 0.000 0.337 486 W C -2.138 173.877 176.519 -0.840 0.000 1.171 486 W CA -1.349 55.742 57.345 -0.424 0.000 1.060 486 W CB 0.808 30.190 29.460 -0.130 0.000 1.472 486 W HN 0.336 nan 8.180 nan 0.000 0.594 487 F N 1.369 121.473 119.950 0.257 0.000 2.539 487 F HA 0.333 4.859 4.527 -0.001 0.000 0.318 487 F C 0.705 176.642 175.800 0.228 0.000 1.135 487 F CA -0.956 57.087 58.000 0.070 0.000 0.915 487 F CB 2.050 41.086 39.000 0.060 0.000 1.176 487 F HN 0.257 nan 8.300 nan 0.000 0.440 488 S N 1.167 116.993 115.700 0.210 0.000 2.560 488 S HA 0.040 4.509 4.470 -0.001 0.000 0.284 488 S C 0.832 175.569 174.600 0.228 0.000 1.327 488 S CA -0.407 57.942 58.200 0.248 0.000 1.055 488 S CB 0.373 63.624 63.200 0.085 0.000 0.868 488 S HN 0.701 nan 8.310 nan 0.000 0.506 489 D N 3.237 123.763 120.400 0.210 0.000 2.349 489 D HA 0.116 4.755 4.640 -0.001 0.000 0.215 489 D C 1.042 177.401 176.300 0.098 0.000 1.016 489 D CA 0.510 54.592 54.000 0.137 0.000 0.870 489 D CB 0.210 41.076 40.800 0.110 0.000 0.917 489 D HN 0.290 nan 8.370 nan 0.000 0.524 490 K N -0.332 120.129 120.400 0.101 0.000 2.380 490 K HA 0.207 4.526 4.320 -0.001 0.000 0.200 490 K C 0.516 177.154 176.600 0.063 0.000 1.201 490 K CA -0.051 56.280 56.287 0.073 0.000 0.916 490 K CB 0.986 33.530 32.500 0.072 0.000 1.187 490 K HN 0.104 nan 8.250 nan 0.000 0.498 491 I N 3.186 123.795 120.570 0.065 0.000 2.519 491 I HA 0.110 4.279 4.170 -0.001 0.000 0.287 491 I C 0.714 176.860 176.117 0.050 0.000 1.047 491 I CA 0.033 61.360 61.300 0.046 0.000 1.381 491 I CB 0.763 38.777 38.000 0.025 0.000 1.417 491 I HN 0.118 nan 8.210 nan 0.000 0.540 492 T N 1.191 115.771 114.554 0.044 0.000 2.916 492 T HA 0.593 4.943 4.350 -0.001 0.000 0.292 492 T C -0.391 174.340 174.700 0.053 0.000 1.055 492 T CA -0.918 61.214 62.100 0.054 0.000 1.009 492 T CB 2.448 71.344 68.868 0.047 0.000 1.118 492 T HN 0.547 nan 8.240 nan 0.000 0.497 493 D N 0.985 121.432 120.400 0.079 0.000 2.469 493 D HA 0.472 5.111 4.640 -0.001 0.000 0.278 493 D C 1.603 177.946 176.300 0.072 0.000 1.231 493 D CA -0.422 53.632 54.000 0.091 0.000 1.075 493 D CB -0.061 40.828 40.800 0.149 0.000 1.121 493 D HN 0.663 nan 8.370 nan 0.000 0.571 494 A N -1.528 121.335 122.820 0.072 0.000 2.121 494 A HA -0.078 4.242 4.320 -0.001 0.000 0.218 494 A C 1.003 178.431 177.584 -0.260 0.000 1.154 494 A CA 0.768 52.755 52.037 -0.083 0.000 0.679 494 A CB -0.895 18.038 19.000 -0.112 0.000 0.795 494 A HN 0.527 nan 8.150 nan 0.000 0.458 495 Y N -1.144 119.171 120.300 0.025 0.000 2.658 495 Y HA 0.249 4.799 4.550 -0.001 0.000 0.276 495 Y C 0.654 176.574 175.900 0.033 0.000 1.167 495 Y CA -0.352 57.766 58.100 0.029 0.000 1.230 495 Y CB -0.432 38.031 38.460 0.004 0.000 1.144 495 Y HN 0.444 nan 8.280 nan 0.000 0.529 496 N N -0.374 118.386 118.700 0.101 0.000 2.741 496 N HA -0.169 4.571 4.740 -0.001 0.000 0.250 496 N C -0.653 174.897 175.510 0.068 0.000 1.115 496 N CA 0.573 53.663 53.050 0.066 0.000 0.724 496 N CB -0.490 38.023 38.487 0.044 0.000 1.090 496 N HN 0.131 nan 8.380 nan 0.000 0.558 497 M N -0.320 119.336 119.600 0.093 0.000 2.598 497 M HA 0.445 4.924 4.480 -0.001 0.000 0.317 497 M C -2.158 174.195 176.300 0.087 0.000 1.201 497 M CA -2.134 53.207 55.300 0.069 0.000 0.971 497 M CB 0.639 33.281 32.600 0.070 0.000 1.657 497 M HN -0.283 nan 8.290 nan 0.000 0.470 498 P HA -0.012 nan 4.420 nan 0.000 0.262 498 P C -0.651 176.791 177.300 0.235 0.000 1.182 498 P CA 0.098 63.284 63.100 0.144 0.000 0.761 498 P CB 0.231 32.019 31.700 0.147 0.000 0.795 499 Q N 6.919 126.810 119.800 0.150 0.000 2.281 499 Q HA 0.165 4.504 4.340 -0.001 0.000 0.267 499 Q C -2.240 173.722 176.000 -0.063 0.000 1.053 499 Q CA -1.979 53.860 55.803 0.060 0.000 0.905 499 Q CB -0.222 28.504 28.738 -0.020 0.000 1.195 499 Q HN 0.283 nan 8.270 nan 0.000 0.398 500 P HA 0.082 nan 4.420 nan 0.000 0.268 500 P C -1.038 175.772 177.300 -0.817 0.000 1.205 500 P CA -0.047 62.666 63.100 -0.646 0.000 0.771 500 P CB 0.975 32.398 31.700 -0.462 0.000 0.858 501 T N 2.810 116.643 114.554 -1.202 0.000 2.952 501 T HA 0.519 4.868 4.350 -0.001 0.000 0.305 501 T C -0.690 173.327 174.700 -1.138 0.000 1.064 501 T CA -0.124 61.269 62.100 -1.178 0.000 1.008 501 T CB 0.540 68.397 68.868 -1.686 0.000 1.078 501 T HN 0.042 nan 8.240 nan 0.000 0.459 502 F N 1.888 121.576 119.950 -0.437 0.000 2.422 502 F HA 0.532 5.059 4.527 -0.001 0.000 0.333 502 F C 0.586 176.364 175.800 -0.037 0.000 1.095 502 F CA -1.001 56.878 58.000 -0.202 0.000 1.038 502 F CB 1.223 40.146 39.000 -0.128 0.000 1.156 502 F HN 0.405 nan 8.300 nan 0.000 0.483 503 D N 3.403 123.998 120.400 0.324 0.000 2.404 503 D HA 0.202 4.841 4.640 -0.001 0.000 0.267 503 D C -1.743 174.695 176.300 0.231 0.000 1.194 503 D CA -0.098 54.067 54.000 0.275 0.000 0.910 503 D CB 0.141 41.126 40.800 0.309 0.000 1.090 503 D HN 0.286 nan 8.370 nan 0.000 0.511 504 F N 2.969 122.924 119.950 0.007 0.000 2.547 504 F HA 0.581 5.108 4.527 -0.001 0.000 0.316 504 F C -0.991 174.713 175.800 -0.159 0.000 1.121 504 F CA -0.643 57.291 58.000 -0.109 0.000 0.911 504 F CB 1.334 40.202 39.000 -0.220 0.000 1.179 504 F HN -0.033 nan 8.300 nan 0.000 0.443 505 R N 4.868 124.864 120.500 -0.840 0.000 2.673 505 R HA 0.326 4.665 4.340 -0.001 0.000 0.281 505 R C -1.484 174.182 176.300 -1.057 0.000 0.991 505 R CA -0.971 54.719 56.100 -0.684 0.000 0.896 505 R CB 1.738 31.862 30.300 -0.294 0.000 1.201 505 R HN 0.588 nan 8.270 nan 0.000 0.457 506 F N 3.359 123.036 119.950 -0.455 0.000 2.612 506 F HA 0.059 4.586 4.527 -0.001 0.000 0.389 506 F C -1.274 174.396 175.800 -0.217 0.000 1.055 506 F CA -0.500 57.360 58.000 -0.233 0.000 1.232 506 F CB -0.232 38.762 39.000 -0.010 0.000 1.044 506 F HN 0.166 nan 8.300 nan 0.000 0.560 507 P HA 0.176 nan 4.420 nan 0.000 0.268 507 P C -0.559 176.759 177.300 0.030 0.000 1.205 507 P CA -0.279 62.806 63.100 -0.025 0.000 0.771 507 P CB 0.591 32.289 31.700 -0.003 0.000 0.858 508 A N 2.650 125.472 122.820 0.005 0.000 2.366 508 A HA 0.543 4.863 4.320 -0.001 0.000 0.250 508 A C 1.155 178.757 177.584 0.029 0.000 1.099 508 A CA 0.787 52.833 52.037 0.015 0.000 0.794 508 A CB -1.072 17.929 19.000 0.002 0.000 1.056 508 A HN 0.836 nan 8.150 nan 0.000 0.499 509 G N -0.087 108.732 108.800 0.031 0.000 2.498 509 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.251 509 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.251 509 G C 1.074 176.006 174.900 0.054 0.000 1.170 509 G CA 0.806 45.930 45.100 0.039 0.000 0.944 509 G HN 1.032 nan 8.290 nan 0.000 0.567 510 R N -0.159 120.379 120.500 0.063 0.000 2.091 510 R HA -0.079 4.260 4.340 -0.001 0.000 0.238 510 R C 2.811 179.170 176.300 0.098 0.000 1.136 510 R CA 2.646 58.793 56.100 0.078 0.000 0.959 510 R CB -0.883 29.464 30.300 0.079 0.000 0.856 510 R HN 0.620 nan 8.270 nan 0.000 0.437 511 T N 0.031 114.649 114.554 0.105 0.000 2.720 511 T HA -0.102 4.247 4.350 -0.001 0.000 0.268 511 T C 1.904 176.665 174.700 0.101 0.000 1.037 511 T CA 1.785 63.963 62.100 0.130 0.000 1.144 511 T CB -0.135 68.830 68.868 0.162 0.000 0.864 511 T HN 0.266 nan 8.240 nan 0.000 0.444 512 S N 0.555 116.298 115.700 0.073 0.000 2.371 512 S HA -0.030 4.440 4.470 -0.001 0.000 0.224 512 S C 2.028 176.647 174.600 0.031 0.000 1.029 512 S CA 1.007 59.224 58.200 0.027 0.000 0.978 512 S CB -0.176 63.034 63.200 0.017 0.000 0.833 512 S HN 0.552 nan 8.310 nan 0.000 0.466 513 K N 1.532 121.964 120.400 0.054 0.000 2.032 513 K HA -0.152 4.167 4.320 -0.001 0.000 0.209 513 K C 1.794 178.453 176.600 0.098 0.000 1.048 513 K CA 1.626 57.951 56.287 0.064 0.000 0.927 513 K CB -0.185 32.356 32.500 0.067 0.000 0.712 513 K HN 0.343 nan 8.250 nan 0.000 0.441 514 E N 0.049 120.332 120.200 0.139 0.000 2.153 514 E HA -0.179 4.170 4.350 -0.001 0.000 0.194 514 E C 1.989 178.686 176.600 0.162 0.000 0.988 514 E CA 0.932 57.469 56.400 0.228 0.000 0.811 514 E CB -0.120 29.749 29.700 0.283 0.000 0.746 514 E HN 0.498 nan 8.360 nan 0.000 0.466 515 A N 1.370 124.252 122.820 0.104 0.000 1.902 515 A HA -0.236 4.084 4.320 -0.001 0.000 0.217 515 A C 2.096 179.737 177.584 0.095 0.000 1.181 515 A CA 1.666 53.757 52.037 0.089 0.000 0.623 515 A CB -0.304 18.717 19.000 0.034 0.000 0.818 515 A HN 0.101 nan 8.150 nan 0.000 0.443 516 E N 0.581 120.827 120.200 0.077 0.000 2.072 516 E HA -0.135 4.215 4.350 -0.001 0.000 0.190 516 E C 1.389 177.966 176.600 -0.037 0.000 0.982 516 E CA 1.402 57.840 56.400 0.065 0.000 0.803 516 E CB -0.341 29.383 29.700 0.041 0.000 0.755 516 E HN 0.513 nan 8.360 nan 0.000 0.453 517 D N -0.003 120.378 120.400 -0.030 0.000 2.133 517 D HA -0.214 4.425 4.640 -0.001 0.000 0.195 517 D C 1.962 178.009 176.300 -0.421 0.000 0.997 517 D CA 1.403 55.368 54.000 -0.058 0.000 0.840 517 D CB -0.363 40.536 40.800 0.165 0.000 0.947 517 D HN 0.328 nan 8.370 nan 0.000 0.452 518 M N -0.341 118.810 119.600 -0.748 0.000 2.132 518 M HA -0.182 4.298 4.480 -0.001 0.000 0.263 518 M C 2.065 177.966 176.300 -0.664 0.000 1.065 518 M CA 1.192 55.719 55.300 -1.287 0.000 1.122 518 M CB 0.010 32.106 32.600 -0.840 0.000 1.365 518 M HN -0.042 nan 8.290 nan 0.000 0.411 519 M N 0.395 119.732 119.600 -0.438 0.000 2.080 519 M HA -0.151 4.328 4.480 -0.001 0.000 0.260 519 M C 1.766 177.869 176.300 -0.329 0.000 1.068 519 M CA 2.347 57.398 55.300 -0.416 0.000 1.109 519 M CB -0.933 31.483 32.600 -0.306 0.000 1.342 519 M HN 0.272 nan 8.290 nan 0.000 0.405 520 T N -0.073 114.345 114.554 -0.228 0.000 2.746 520 T HA -0.160 4.190 4.350 -0.001 0.000 0.267 520 T C 1.485 176.112 174.700 -0.121 0.000 1.039 520 T CA 1.826 63.844 62.100 -0.136 0.000 1.142 520 T CB -0.564 68.267 68.868 -0.062 0.000 0.866 520 T HN 0.545 nan 8.240 nan 0.000 0.444 521 D N 0.439 120.760 120.400 -0.131 0.000 2.144 521 D HA -0.033 4.606 4.640 -0.001 0.000 0.200 521 D C 2.067 178.352 176.300 -0.025 0.000 0.978 521 D CA 0.735 54.759 54.000 0.040 0.000 0.833 521 D CB -0.198 40.718 40.800 0.192 0.000 0.961 521 D HN 0.272 nan 8.370 nan 0.000 0.470 522 M N -0.510 118.854 119.600 -0.393 0.000 2.159 522 M HA -0.157 4.323 4.480 -0.001 0.000 0.263 522 M C 1.831 177.839 176.300 -0.486 0.000 1.063 522 M CA 1.228 56.040 55.300 -0.813 0.000 1.110 522 M CB -0.116 31.747 32.600 -1.229 0.000 1.374 522 M HN 0.205 nan 8.290 nan 0.000 0.411 523 C N -0.414 118.699 119.300 -0.311 0.000 2.432 523 C HA -0.104 4.355 4.460 -0.001 0.000 0.277 523 C C 2.662 177.556 174.990 -0.160 0.000 1.249 523 C CA 0.823 59.753 59.018 -0.147 0.000 1.725 523 C CB -0.942 26.761 27.740 -0.061 0.000 2.028 523 C HN 0.479 nan 8.230 nan 0.000 0.477 524 V N 0.562 120.415 119.914 -0.101 0.000 2.270 524 V HA -0.291 3.829 4.120 -0.001 0.000 0.245 524 V C 2.410 178.484 176.094 -0.034 0.000 1.043 524 V CA 2.273 64.544 62.300 -0.048 0.000 1.014 524 V CB -0.683 31.162 31.823 0.036 0.000 0.645 524 V HN 0.570 nan 8.190 nan 0.000 0.447 525 M N 0.774 120.404 119.600 0.049 0.000 2.117 525 M HA -0.180 4.300 4.480 -0.001 0.000 0.262 525 M C 2.488 178.687 176.300 -0.168 0.000 1.065 525 M CA 2.344 57.745 55.300 0.169 0.000 1.114 525 M CB -0.230 32.613 32.600 0.406 0.000 1.361 525 M HN 0.573 nan 8.290 nan 0.000 0.408 526 S N 0.500 115.787 115.700 -0.689 0.000 2.400 526 S HA -0.101 4.369 4.470 -0.001 0.000 0.232 526 S C 1.974 176.188 174.600 -0.642 0.000 1.025 526 S CA 1.082 58.494 58.200 -1.313 0.000 0.993 526 S CB -0.887 61.312 63.200 -1.669 0.000 0.808 526 S HN 0.578 nan 8.310 nan 0.000 0.478 527 A N 1.946 124.487 122.820 -0.466 0.000 2.070 527 A HA -0.029 4.290 4.320 -0.001 0.000 0.220 527 A C 2.171 179.625 177.584 -0.216 0.000 1.159 527 A CA 1.408 53.225 52.037 -0.367 0.000 0.656 527 A CB -0.563 18.254 19.000 -0.306 0.000 0.800 527 A HN 0.652 nan 8.150 nan 0.000 0.453 528 K N -0.742 119.574 120.400 -0.140 0.000 2.365 528 K HA 0.024 4.343 4.320 -0.001 0.000 0.199 528 K C 1.128 177.716 176.600 -0.020 0.000 1.045 528 K CA 0.695 56.946 56.287 -0.061 0.000 0.962 528 K CB -0.000 32.498 32.500 -0.002 0.000 0.759 528 K HN 0.407 nan 8.250 nan 0.000 0.469 529 I N -0.794 119.776 120.570 0.000 0.000 3.039 529 I HA 0.154 4.324 4.170 -0.001 0.000 0.270 529 I C 1.182 177.307 176.117 0.013 0.000 1.150 529 I CA 0.651 61.999 61.300 0.079 0.000 1.448 529 I CB -0.084 38.099 38.000 0.306 0.000 1.197 529 I HN 0.118 nan 8.210 nan 0.000 0.450 530 G N -0.726 108.029 108.800 -0.075 0.000 2.340 530 G HA2 0.461 4.420 3.960 -0.001 0.000 0.299 530 G HA3 0.461 4.420 3.960 -0.001 0.000 0.299 530 G C -0.784 173.961 174.900 -0.259 0.000 1.291 530 G CA -0.126 44.901 45.100 -0.121 0.000 0.841 530 G HN 0.313 nan 8.290 nan 0.000 0.500 531 G N -1.198 107.450 108.800 -0.254 0.000 2.528 531 G HA2 0.590 4.549 3.960 -0.001 0.000 0.289 531 G HA3 0.590 4.549 3.960 -0.001 0.000 0.289 531 G C -0.390 174.323 174.900 -0.312 0.000 1.192 531 G CA -0.581 44.279 45.100 -0.401 0.000 0.921 531 G HN 0.429 nan 8.290 nan 0.000 0.512 532 F N -0.754 119.104 119.950 -0.154 0.000 2.496 532 F HA 0.229 4.756 4.527 -0.001 0.000 0.344 532 F C 0.678 176.417 175.800 -0.101 0.000 1.155 532 F CA -0.698 57.207 58.000 -0.159 0.000 1.302 532 F CB 0.663 39.561 39.000 -0.169 0.000 1.159 532 F HN 0.149 nan 8.300 nan 0.000 0.595 533 L N 5.417 126.718 121.223 0.131 0.000 2.313 533 L HA 0.423 4.762 4.340 -0.001 0.000 0.282 533 L C -2.404 174.510 176.870 0.072 0.000 1.092 533 L CA -2.162 52.719 54.840 0.068 0.000 0.831 533 L CB 0.162 42.248 42.059 0.045 0.000 1.159 533 L HN 0.278 nan 8.230 nan 0.000 0.442 534 P HA 0.207 nan 4.420 nan 0.000 0.262 534 P C 0.607 177.946 177.300 0.064 0.000 1.182 534 P CA 1.008 64.141 63.100 0.055 0.000 0.761 534 P CB 0.622 32.350 31.700 0.047 0.000 0.795 535 G N 2.179 111.010 108.800 0.050 0.000 2.217 535 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.246 535 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.246 535 G C 0.559 175.517 174.900 0.096 0.000 0.990 535 G CA 0.212 45.357 45.100 0.075 0.000 0.627 535 G HN 0.513 nan 8.290 nan 0.000 0.522 536 S N 0.844 116.577 115.700 0.054 0.000 2.740 536 S HA 0.579 5.048 4.470 -0.001 0.000 0.244 536 S C 0.909 175.402 174.600 -0.178 0.000 1.101 536 S CA 0.202 58.417 58.200 0.026 0.000 1.123 536 S CB 0.676 63.887 63.200 0.019 0.000 1.012 536 S HN 1.164 nan 8.310 nan 0.000 0.491 537 G N 2.899 111.560 108.800 -0.232 0.000 2.684 537 G HA2 0.395 4.354 3.960 -0.001 0.000 0.255 537 G HA3 0.395 4.354 3.960 -0.001 0.000 0.255 537 G C -2.806 171.746 174.900 -0.580 0.000 1.219 537 G CA -1.240 43.527 45.100 -0.555 0.000 0.901 537 G HN 0.147 nan 8.290 nan 0.000 0.548 538 P HA 0.142 nan 4.420 nan 0.000 0.271 538 P C -0.586 176.497 177.300 -0.361 0.000 1.216 538 P CA 0.315 63.050 63.100 -0.608 0.000 0.771 538 P CB 0.863 32.150 31.700 -0.688 0.000 0.864 539 Q N 1.387 121.024 119.800 -0.271 0.000 2.472 539 Q HA 0.459 4.798 4.340 -0.001 0.000 0.281 539 Q C -1.532 174.352 176.000 -0.192 0.000 0.997 539 Q CA -0.840 54.885 55.803 -0.131 0.000 0.828 539 Q CB 0.624 29.355 28.738 -0.012 0.000 1.443 539 Q HN 0.109 nan 8.270 nan 0.000 0.390 540 F N 1.478 121.386 119.950 -0.069 0.000 2.412 540 F HA 0.322 4.848 4.527 -0.001 0.000 0.348 540 F C 0.557 176.337 175.800 -0.033 0.000 1.102 540 F CA -0.317 57.642 58.000 -0.067 0.000 1.196 540 F CB 1.021 39.969 39.000 -0.086 0.000 1.144 540 F HN 0.391 nan 8.300 nan 0.000 0.541 541 M N 1.956 121.624 119.600 0.113 0.000 2.274 541 M HA 0.122 4.601 4.480 -0.001 0.000 0.344 541 M C 0.222 176.571 176.300 0.081 0.000 1.161 541 M CA -0.578 54.753 55.300 0.051 0.000 1.126 541 M CB 0.684 33.271 32.600 -0.022 0.000 1.522 541 M HN 0.583 nan 8.290 nan 0.000 0.461 542 E N 4.362 124.584 120.200 0.037 0.000 2.900 542 E HA -0.076 4.274 4.350 -0.001 0.000 0.259 542 E C -2.021 174.607 176.600 0.047 0.000 0.918 542 E CA -0.871 55.547 56.400 0.030 0.000 0.960 542 E CB 0.302 29.994 29.700 -0.014 0.000 0.908 542 E HN 0.197 nan 8.360 nan 0.000 0.511 543 P HA -0.014 nan 4.420 nan 0.000 0.263 543 P C 0.555 177.798 177.300 -0.096 0.000 1.195 543 P CA 1.030 64.177 63.100 0.080 0.000 0.762 543 P CB 0.763 32.512 31.700 0.081 0.000 0.799 544 G N 2.518 111.259 108.800 -0.098 0.000 2.234 544 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.235 544 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.235 544 G C 0.706 175.557 174.900 -0.080 0.000 0.997 544 G CA 0.194 45.193 45.100 -0.169 0.000 0.623 544 G HN 0.506 nan 8.290 nan 0.000 0.514 545 L N 1.224 122.417 121.223 -0.049 0.000 2.127 545 L HA 0.118 4.457 4.340 -0.001 0.000 0.211 545 L C 2.910 179.763 176.870 -0.028 0.000 1.089 545 L CA 2.548 57.363 54.840 -0.042 0.000 0.757 545 L CB -0.547 41.482 42.059 -0.049 0.000 0.899 545 L HN 0.592 nan 8.230 nan 0.000 0.434 546 V N 0.038 119.946 119.914 -0.010 0.000 2.313 546 V HA -0.298 3.822 4.120 -0.001 0.000 0.253 546 V C 1.779 177.789 176.094 -0.141 0.000 1.070 546 V CA 2.080 64.366 62.300 -0.023 0.000 1.057 546 V CB -0.242 31.631 31.823 0.083 0.000 0.653 546 V HN 0.535 nan 8.190 nan 0.000 0.450 547 L N -0.877 120.319 121.223 -0.045 0.000 3.865 547 L HA -0.243 4.096 4.340 -0.001 0.000 0.408 547 L C 0.268 177.220 176.870 0.136 0.000 1.209 547 L CA 0.902 55.757 54.840 0.025 0.000 0.940 547 L CB -2.466 39.632 42.059 0.065 0.000 1.971 547 L HN 0.616 nan 8.230 nan 0.000 0.899 548 H N -0.442 118.730 119.070 0.170 0.000 2.539 548 H HA 0.304 4.859 4.556 -0.001 0.000 0.293 548 H C 0.464 175.916 175.328 0.206 0.000 1.156 548 H CA -1.014 55.167 56.048 0.221 0.000 1.012 548 H CB 0.512 30.457 29.762 0.306 0.000 1.600 548 H HN 0.156 nan 8.280 nan 0.000 0.538 549 L N 1.891 123.240 121.223 0.210 0.000 2.513 549 L HA 0.204 4.543 4.340 -0.001 0.000 0.272 549 L C 0.646 177.625 176.870 0.180 0.000 1.187 549 L CA 0.631 55.545 54.840 0.124 0.000 0.895 549 L CB 0.237 42.336 42.059 0.066 0.000 1.147 549 L HN 0.334 nan 8.230 nan 0.000 0.483 550 G N 2.055 110.969 108.800 0.190 0.000 2.658 550 G HA2 0.532 4.491 3.960 -0.001 0.000 0.292 550 G HA3 0.532 4.491 3.960 -0.001 0.000 0.292 550 G C 0.336 175.326 174.900 0.151 0.000 1.320 550 G CA -0.290 44.949 45.100 0.230 0.000 0.933 550 G HN 1.248 nan 8.290 nan 0.000 0.476 551 G N -0.934 107.931 108.800 0.107 0.000 2.162 551 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.260 551 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.260 551 G C 1.373 176.332 174.900 0.098 0.000 0.976 551 G CA 1.583 46.750 45.100 0.112 0.000 0.655 551 G HN 1.861 nan 8.290 nan 0.000 0.533 552 T N -1.942 112.627 114.554 0.026 0.000 2.962 552 T HA 0.109 4.458 4.350 -0.001 0.000 0.270 552 T C 1.054 175.827 174.700 0.120 0.000 1.088 552 T CA 1.896 64.048 62.100 0.088 0.000 1.127 552 T CB -0.274 68.653 68.868 0.097 0.000 0.883 552 T HN 1.558 nan 8.240 nan 0.000 0.493 553 H N -0.102 119.041 119.070 0.122 0.000 2.600 553 H HA 0.482 5.037 4.556 -0.001 0.000 0.224 553 H C -0.198 175.173 175.328 0.071 0.000 1.413 553 H CA -1.373 54.724 56.048 0.082 0.000 1.401 553 H CB -0.258 29.518 29.762 0.023 0.000 1.772 553 H HN 0.376 nan 8.280 nan 0.000 0.528 554 R N 1.165 121.745 120.500 0.134 0.000 2.582 554 R HA 0.367 4.707 4.340 -0.001 0.000 0.271 554 R C -0.365 175.993 176.300 0.096 0.000 1.078 554 R CA -0.830 55.321 56.100 0.085 0.000 1.127 554 R CB 1.120 31.462 30.300 0.070 0.000 1.038 554 R HN 0.501 nan 8.270 nan 0.000 0.500 555 M N 1.666 121.299 119.600 0.055 0.000 2.274 555 M HA 0.433 4.913 4.480 -0.001 0.000 0.344 555 M C -0.513 175.784 176.300 -0.004 0.000 1.161 555 M CA 0.333 55.644 55.300 0.017 0.000 1.126 555 M CB 1.454 34.039 32.600 -0.025 0.000 1.522 555 M HN 0.961 nan 8.290 nan 0.000 0.461 556 G N 2.238 111.049 108.800 0.018 0.000 2.561 556 G HA2 0.395 4.354 3.960 -0.001 0.000 0.310 556 G HA3 0.395 4.354 3.960 -0.001 0.000 0.310 556 G C -0.959 173.952 174.900 0.017 0.000 1.292 556 G CA -0.637 44.414 45.100 -0.082 0.000 0.811 556 G HN 0.655 nan 8.290 nan 0.000 0.482 557 F N 0.060 120.113 119.950 0.171 0.000 2.317 557 F HA 0.305 4.832 4.527 -0.001 0.000 0.293 557 F C 1.088 177.011 175.800 0.205 0.000 1.085 557 F CA 0.770 58.874 58.000 0.174 0.000 1.390 557 F CB 0.622 39.681 39.000 0.098 0.000 1.077 557 F HN 0.244 nan 8.300 nan 0.000 0.517 558 D N -0.119 120.438 120.400 0.261 0.000 2.649 558 D HA 0.059 4.698 4.640 -0.001 0.000 0.249 558 D C 0.613 176.759 176.300 -0.257 0.000 1.112 558 D CA -0.080 53.913 54.000 -0.011 0.000 0.850 558 D CB 1.970 42.786 40.800 0.027 0.000 1.399 558 D HN 0.201 nan 8.370 nan 0.000 0.503 559 E N 3.302 123.035 120.200 -0.778 0.000 2.058 559 E HA -0.227 4.122 4.350 -0.001 0.000 0.194 559 E C 1.429 177.876 176.600 -0.255 0.000 0.997 559 E CA 1.285 57.240 56.400 -0.742 0.000 0.801 559 E CB 0.337 29.472 29.700 -0.942 0.000 0.746 559 E HN 0.401 nan 8.360 nan 0.000 0.450 560 K N 0.068 120.355 120.400 -0.188 0.000 2.044 560 K HA -0.095 4.225 4.320 -0.001 0.000 0.204 560 K C 2.073 178.649 176.600 -0.041 0.000 1.045 560 K CA 1.045 57.285 56.287 -0.079 0.000 0.951 560 K CB 0.071 32.535 32.500 -0.059 0.000 0.738 560 K HN 0.076 nan 8.250 nan 0.000 0.443 561 E N 0.483 120.660 120.200 -0.038 0.000 2.077 561 E HA -0.166 4.184 4.350 -0.001 0.000 0.193 561 E C 0.748 177.350 176.600 0.003 0.000 0.989 561 E CA 1.251 57.649 56.400 -0.002 0.000 0.800 561 E CB 0.100 29.810 29.700 0.017 0.000 0.746 561 E HN 0.342 nan 8.360 nan 0.000 0.452 562 D N -0.020 120.378 120.400 -0.004 0.000 2.368 562 D HA 0.052 4.691 4.640 -0.001 0.000 0.218 562 D C -0.625 175.625 176.300 -0.083 0.000 1.112 562 D CA -0.020 53.974 54.000 -0.011 0.000 0.834 562 D CB -0.010 40.819 40.800 0.049 0.000 0.953 562 D HN 0.079 nan 8.370 nan 0.000 0.505 563 N N 0.511 119.165 118.700 -0.078 0.000 2.667 563 N HA -0.194 4.545 4.740 -0.001 0.000 0.263 563 N C -0.296 175.160 175.510 -0.090 0.000 1.038 563 N CA 0.634 53.626 53.050 -0.097 0.000 0.749 563 N CB -1.387 36.952 38.487 -0.248 0.000 0.892 563 N HN 0.415 nan 8.380 nan 0.000 0.546 564 C N -3.539 115.774 119.300 0.023 0.000 3.213 564 C HA 0.775 5.234 4.460 -0.001 0.000 0.319 564 C C 1.421 176.579 174.990 0.281 0.000 1.386 564 C CA -0.704 58.394 59.018 0.133 0.000 1.494 564 C CB 1.577 29.416 27.740 0.166 0.000 1.905 564 C HN 0.481 nan 8.230 nan 0.000 0.456 565 C N 0.283 119.774 119.300 0.319 0.000 3.123 565 C HA 0.486 4.945 4.460 -0.001 0.000 0.399 565 C C 0.704 175.818 174.990 0.207 0.000 1.320 565 C CA 0.573 59.786 59.018 0.326 0.000 1.949 565 C CB -0.474 27.380 27.740 0.190 0.000 2.692 565 C HN 0.951 nan 8.230 nan 0.000 0.623 566 V N 1.136 121.062 119.914 0.019 0.000 3.001 566 V HA 0.712 4.832 4.120 -0.001 0.000 0.314 566 V C -0.769 175.000 176.094 -0.541 0.000 1.099 566 V CA -0.655 61.411 62.300 -0.389 0.000 0.989 566 V CB 1.551 33.260 31.823 -0.189 0.000 1.040 566 V HN 0.385 nan 8.190 nan 0.000 0.434 567 N N 0.774 118.973 118.700 -0.835 0.000 2.431 567 N HA 0.259 4.998 4.740 -0.001 0.000 0.289 567 N C 1.063 176.437 175.510 -0.227 0.000 1.277 567 N CA 0.276 53.056 53.050 -0.449 0.000 0.972 567 N CB -0.010 38.229 38.487 -0.412 0.000 1.143 567 N HN 0.949 nan 8.380 nan 0.000 0.578 568 T N -4.646 109.825 114.554 -0.138 0.000 3.113 568 T HA -0.001 4.348 4.350 -0.001 0.000 0.263 568 T C 0.153 174.780 174.700 -0.122 0.000 1.143 568 T CA 0.702 62.722 62.100 -0.134 0.000 1.090 568 T CB -0.381 68.431 68.868 -0.092 0.000 0.922 568 T HN 0.446 nan 8.240 nan 0.000 0.521 569 D N 1.127 121.445 120.400 -0.137 0.000 2.328 569 D HA 0.191 4.830 4.640 -0.001 0.000 0.221 569 D C 0.542 176.848 176.300 0.010 0.000 1.072 569 D CA 0.134 54.072 54.000 -0.104 0.000 0.850 569 D CB 0.099 40.724 40.800 -0.291 0.000 0.922 569 D HN 0.350 nan 8.370 nan 0.000 0.516 570 S N 0.178 115.853 115.700 -0.041 0.000 3.476 570 S HA -0.261 4.208 4.470 -0.001 0.000 0.309 570 S C 0.581 175.168 174.600 -0.022 0.000 1.222 570 S CA 0.479 58.689 58.200 0.017 0.000 0.922 570 S CB -1.382 61.901 63.200 0.139 0.000 1.023 570 S HN 0.478 nan 8.310 nan 0.000 0.591 571 R N 1.183 121.549 120.500 -0.223 0.000 2.308 571 R HA 0.468 4.807 4.340 -0.001 0.000 0.305 571 R C -0.058 175.934 176.300 -0.513 0.000 1.053 571 R CA -0.401 55.373 56.100 -0.543 0.000 0.957 571 R CB 0.667 30.620 30.300 -0.579 0.000 1.022 571 R HN 0.135 nan 8.270 nan 0.000 0.461 572 V N 6.089 125.738 119.914 -0.442 0.000 2.529 572 V HA 0.021 4.140 4.120 -0.001 0.000 0.292 572 V C 0.156 176.201 176.094 -0.081 0.000 1.028 572 V CA 0.127 62.260 62.300 -0.279 0.000 1.074 572 V CB 0.028 31.666 31.823 -0.308 0.000 0.958 572 V HN 0.570 nan 8.190 nan 0.000 0.481 573 F N 3.917 123.916 119.950 0.083 0.000 2.612 573 F HA 0.385 4.912 4.527 -0.001 0.000 0.389 573 F C 1.552 177.496 175.800 0.241 0.000 1.055 573 F CA 1.477 59.553 58.000 0.126 0.000 1.232 573 F CB -0.079 38.985 39.000 0.107 0.000 1.044 573 F HN 0.798 nan 8.300 nan 0.000 0.560 574 G N 2.265 111.264 108.800 0.332 0.000 2.217 574 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.246 574 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.246 574 G C -0.123 174.725 174.900 -0.085 0.000 0.990 574 G CA -0.499 44.676 45.100 0.125 0.000 0.627 574 G HN 0.431 nan 8.290 nan 0.000 0.522 575 F N 1.116 121.097 119.950 0.053 0.000 2.436 575 F HA 0.580 5.106 4.527 -0.001 0.000 0.340 575 F C 1.462 177.259 175.800 -0.006 0.000 1.113 575 F CA -0.878 57.137 58.000 0.026 0.000 1.022 575 F CB 1.647 40.657 39.000 0.015 0.000 1.128 575 F HN -0.183 nan 8.300 nan 0.000 0.466 576 K N 1.413 121.921 120.400 0.181 0.000 2.148 576 K HA -0.087 4.232 4.320 -0.001 0.000 0.204 576 K C 0.675 177.501 176.600 0.377 0.000 1.050 576 K CA 1.241 57.681 56.287 0.255 0.000 0.942 576 K CB 0.023 32.686 32.500 0.272 0.000 0.724 576 K HN 0.624 nan 8.250 nan 0.000 0.446 577 N N 0.055 118.931 118.700 0.293 0.000 2.305 577 N HA 0.039 4.779 4.740 -0.001 0.000 0.248 577 N C -0.772 174.835 175.510 0.161 0.000 1.290 577 N CA -0.305 52.940 53.050 0.325 0.000 0.873 577 N CB 0.049 38.775 38.487 0.398 0.000 1.261 577 N HN -0.055 nan 8.380 nan 0.000 0.504 578 L N 0.680 121.789 121.223 -0.189 0.000 2.349 578 L HA 0.692 5.032 4.340 -0.001 0.000 0.278 578 L C -1.836 174.640 176.870 -0.657 0.000 0.996 578 L CA -0.631 54.062 54.840 -0.245 0.000 0.825 578 L CB 0.904 42.812 42.059 -0.251 0.000 1.243 578 L HN -0.035 nan 8.230 nan 0.000 0.412 579 F N 5.030 124.901 119.950 -0.133 0.000 2.532 579 F HA 0.661 5.187 4.527 -0.001 0.000 0.321 579 F C -0.540 175.114 175.800 -0.242 0.000 1.089 579 F CA -0.705 57.198 58.000 -0.162 0.000 0.926 579 F CB 1.799 40.733 39.000 -0.110 0.000 1.168 579 F HN 0.183 nan 8.300 nan 0.000 0.459 580 L N 2.154 123.334 121.223 -0.073 0.000 2.346 580 L HA 0.865 5.205 4.340 -0.001 0.000 0.276 580 L C 0.106 176.991 176.870 0.024 0.000 1.006 580 L CA -0.769 53.965 54.840 -0.175 0.000 0.817 580 L CB 1.833 43.632 42.059 -0.433 0.000 1.272 580 L HN 0.791 nan 8.230 nan 0.000 0.421 581 G N 0.503 109.337 108.800 0.057 0.000 2.481 581 G HA2 0.812 4.771 3.960 -0.001 0.000 0.315 581 G HA3 0.812 4.771 3.960 -0.001 0.000 0.315 581 G C -0.502 174.518 174.900 0.199 0.000 1.231 581 G CA -0.314 44.908 45.100 0.203 0.000 0.968 581 G HN 0.956 nan 8.290 nan 0.000 0.482 582 G N -1.362 107.544 108.800 0.176 0.000 2.353 582 G HA2 0.093 4.052 3.960 -0.001 0.000 0.424 582 G HA3 0.093 4.052 3.960 -0.001 0.000 0.424 582 G C 0.800 175.746 174.900 0.077 0.000 1.320 582 G CA 0.058 45.234 45.100 0.127 0.000 0.995 582 G HN 1.211 nan 8.290 nan 0.000 0.580 583 C N 0.535 119.859 119.300 0.040 0.000 2.409 583 C HA 0.142 4.601 4.460 -0.001 0.000 0.284 583 C C 3.038 178.010 174.990 -0.031 0.000 1.354 583 C CA 1.818 60.845 59.018 0.014 0.000 1.787 583 C CB -1.415 26.367 27.740 0.069 0.000 1.900 583 C HN 1.313 nan 8.230 nan 0.000 0.520 584 G N 1.093 109.779 108.800 -0.192 0.000 2.470 584 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.220 584 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.220 584 G C 1.428 175.991 174.900 -0.561 0.000 1.121 584 G CA 0.749 45.480 45.100 -0.616 0.000 0.766 584 G HN 0.562 nan 8.290 nan 0.000 0.553 585 N N 0.325 118.894 118.700 -0.217 0.000 2.354 585 N HA 0.034 4.773 4.740 -0.001 0.000 0.179 585 N C 0.901 176.428 175.510 0.028 0.000 1.021 585 N CA 0.109 53.163 53.050 0.008 0.000 0.887 585 N CB 0.040 38.586 38.487 0.098 0.000 0.974 585 N HN 0.302 nan 8.380 nan 0.000 0.437 586 I N 3.153 123.746 120.570 0.039 0.000 2.505 586 I HA 0.025 4.194 4.170 -0.001 0.000 0.287 586 I C -1.303 174.907 176.117 0.155 0.000 1.104 586 I CA -0.907 60.453 61.300 0.100 0.000 1.387 586 I CB 1.095 39.138 38.000 0.072 0.000 1.404 586 I HN -0.049 nan 8.210 nan 0.000 0.528 587 P HA 0.053 nan 4.420 nan 0.000 0.261 587 P C 0.268 177.644 177.300 0.127 0.000 1.268 587 P CA 0.223 63.384 63.100 0.102 0.000 0.833 587 P CB 0.192 31.914 31.700 0.037 0.000 1.231 588 T N -2.101 112.563 114.554 0.183 0.000 2.897 588 T HA 0.676 5.026 4.350 -0.001 0.000 0.278 588 T C 0.219 175.018 174.700 0.165 0.000 0.981 588 T CA -0.858 61.335 62.100 0.154 0.000 0.973 588 T CB 1.150 70.098 68.868 0.133 0.000 1.092 588 T HN 0.064 nan 8.240 nan 0.000 0.543 589 A N 1.682 124.544 122.820 0.070 0.000 2.302 589 A HA 0.607 4.927 4.320 -0.001 0.000 0.295 589 A C -0.610 176.927 177.584 -0.078 0.000 1.235 589 A CA -0.848 51.177 52.037 -0.020 0.000 0.876 589 A CB -0.829 18.191 19.000 0.033 0.000 1.133 589 A HN 0.893 nan 8.150 nan 0.000 0.533 590 Y N -0.371 119.841 120.300 -0.146 0.000 2.512 590 Y HA 0.709 5.258 4.550 -0.001 0.000 0.348 590 Y C 0.731 176.501 175.900 -0.217 0.000 0.990 590 Y CA -0.616 57.220 58.100 -0.440 0.000 1.033 590 Y CB 1.459 39.483 38.460 -0.728 0.000 1.259 590 Y HN 0.417 nan 8.280 nan 0.000 0.461 591 G N 0.678 109.404 108.800 -0.124 0.000 2.673 591 G HA2 0.382 4.341 3.960 -0.001 0.000 0.208 591 G HA3 0.382 4.341 3.960 -0.001 0.000 0.208 591 G C 0.382 175.373 174.900 0.153 0.000 1.128 591 G CA 0.192 45.413 45.100 0.201 0.000 0.805 591 G HN 0.938 nan 8.290 nan 0.000 0.526 592 A N 0.753 123.483 122.820 -0.150 0.000 2.332 592 A HA 0.499 4.818 4.320 -0.001 0.000 0.258 592 A C -0.129 177.319 177.584 -0.226 0.000 1.087 592 A CA -0.579 51.245 52.037 -0.355 0.000 0.802 592 A CB 0.095 18.887 19.000 -0.347 0.000 1.042 592 A HN 0.351 nan 8.150 nan 0.000 0.489 593 N N 2.331 120.752 118.700 -0.466 0.000 2.447 593 N HA 0.201 4.940 4.740 -0.001 0.000 0.263 593 N C -2.023 173.331 175.510 -0.261 0.000 1.226 593 N CA -0.791 51.956 53.050 -0.504 0.000 0.906 593 N CB 0.351 38.630 38.487 -0.347 0.000 1.060 593 N HN 0.408 nan 8.380 nan 0.000 0.468 594 P HA -0.021 nan 4.420 nan 0.000 0.240 594 P C 0.511 177.678 177.300 -0.221 0.000 1.190 594 P CA 0.685 63.611 63.100 -0.290 0.000 0.781 594 P CB 0.267 31.756 31.700 -0.352 0.000 0.931 595 T N 0.985 115.490 114.554 -0.081 0.000 2.720 595 T HA -0.152 4.197 4.350 -0.001 0.000 0.268 595 T C 1.763 176.532 174.700 0.115 0.000 1.037 595 T CA 1.055 63.176 62.100 0.034 0.000 1.144 595 T CB -0.870 68.039 68.868 0.068 0.000 0.864 595 T HN 0.028 nan 8.240 nan 0.000 0.444 596 L N 0.945 122.259 121.223 0.151 0.000 2.131 596 L HA -0.081 4.258 4.340 -0.001 0.000 0.210 596 L C 2.523 179.461 176.870 0.115 0.000 1.092 596 L CA 1.616 56.593 54.840 0.229 0.000 0.759 596 L CB -0.905 41.288 42.059 0.223 0.000 0.903 596 L HN 0.208 nan 8.230 nan 0.000 0.435 597 T N -0.695 113.793 114.554 -0.111 0.000 2.777 597 T HA -0.105 4.244 4.350 -0.001 0.000 0.266 597 T C 1.875 176.491 174.700 -0.140 0.000 1.040 597 T CA 1.160 63.106 62.100 -0.256 0.000 1.141 597 T CB -0.361 67.952 68.868 -0.925 0.000 0.868 597 T HN 0.496 nan 8.240 nan 0.000 0.444 598 A N 1.280 124.023 122.820 -0.128 0.000 1.930 598 A HA 0.046 4.365 4.320 -0.001 0.000 0.217 598 A C 2.283 179.833 177.584 -0.057 0.000 1.175 598 A CA 1.452 53.449 52.037 -0.067 0.000 0.627 598 A CB -0.648 18.327 19.000 -0.041 0.000 0.815 598 A HN 0.507 nan 8.150 nan 0.000 0.443 599 M N -0.224 119.346 119.600 -0.049 0.000 2.132 599 M HA -0.133 4.346 4.480 -0.001 0.000 0.263 599 M C 2.098 178.309 176.300 -0.150 0.000 1.065 599 M CA 2.035 57.276 55.300 -0.097 0.000 1.122 599 M CB -0.133 32.408 32.600 -0.099 0.000 1.365 599 M HN 0.372 nan 8.290 nan 0.000 0.411 600 S N 1.222 116.835 115.700 -0.146 0.000 2.370 600 S HA -0.142 4.328 4.470 -0.001 0.000 0.226 600 S C 1.753 176.176 174.600 -0.296 0.000 1.033 600 S CA 1.477 59.529 58.200 -0.248 0.000 1.011 600 S CB -0.618 62.381 63.200 -0.335 0.000 0.852 600 S HN 0.516 nan 8.310 nan 0.000 0.457 601 L N 1.183 122.270 121.223 -0.227 0.000 2.042 601 L HA -0.178 4.162 4.340 -0.001 0.000 0.210 601 L C 2.798 179.545 176.870 -0.205 0.000 1.076 601 L CA 1.266 55.977 54.840 -0.216 0.000 0.749 601 L CB -0.745 41.252 42.059 -0.104 0.000 0.893 601 L HN 0.339 nan 8.230 nan 0.000 0.432 602 A N 0.175 122.865 122.820 -0.216 0.000 1.933 602 A HA -0.156 4.163 4.320 -0.001 0.000 0.218 602 A C 2.218 179.497 177.584 -0.508 0.000 1.175 602 A CA 1.390 53.187 52.037 -0.400 0.000 0.628 602 A CB -0.593 18.170 19.000 -0.396 0.000 0.814 602 A HN 0.343 nan 8.150 nan 0.000 0.444 603 I N -0.539 119.823 120.570 -0.345 0.000 2.142 603 I HA -0.289 3.880 4.170 -0.001 0.000 0.240 603 I C 2.546 178.508 176.117 -0.257 0.000 1.078 603 I CA 1.906 63.036 61.300 -0.283 0.000 1.343 603 I CB -0.256 37.595 38.000 -0.249 0.000 1.046 603 I HN 0.336 nan 8.210 nan 0.000 0.405 604 K N 0.373 120.619 120.400 -0.257 0.000 2.074 604 K HA -0.252 4.067 4.320 -0.001 0.000 0.209 604 K C 2.379 178.897 176.600 -0.137 0.000 1.048 604 K CA 1.986 58.149 56.287 -0.205 0.000 0.926 604 K CB -0.162 32.185 32.500 -0.255 0.000 0.713 604 K HN 0.167 nan 8.250 nan 0.000 0.444 605 S N -0.021 115.584 115.700 -0.159 0.000 2.368 605 S HA -0.164 4.305 4.470 -0.001 0.000 0.225 605 S C 2.091 176.603 174.600 -0.146 0.000 1.030 605 S CA 1.465 59.611 58.200 -0.090 0.000 0.999 605 S CB -0.436 62.743 63.200 -0.035 0.000 0.844 605 S HN 0.553 nan 8.310 nan 0.000 0.459 606 C N 1.451 120.581 119.300 -0.283 0.000 2.411 606 C HA -0.037 4.422 4.460 -0.001 0.000 0.279 606 C C 2.515 177.429 174.990 -0.127 0.000 1.288 606 C CA 0.849 59.717 59.018 -0.251 0.000 1.764 606 C CB -1.541 26.011 27.740 -0.313 0.000 1.974 606 C HN 0.680 nan 8.230 nan 0.000 0.498 607 E N -0.648 119.499 120.200 -0.089 0.000 2.051 607 E HA -0.254 4.096 4.350 -0.001 0.000 0.192 607 E C 1.861 178.476 176.600 0.025 0.000 0.991 607 E CA 1.578 57.958 56.400 -0.033 0.000 0.799 607 E CB -0.322 29.354 29.700 -0.040 0.000 0.748 607 E HN 0.831 nan 8.360 nan 0.000 0.449 608 Y N 1.098 121.369 120.300 -0.049 0.000 2.145 608 Y HA -0.219 4.330 4.550 -0.001 0.000 0.286 608 Y C 1.950 177.881 175.900 0.051 0.000 1.145 608 Y CA 1.528 59.639 58.100 0.019 0.000 1.148 608 Y CB -0.077 38.426 38.460 0.073 0.000 0.981 608 Y HN -0.038 nan 8.280 nan 0.000 0.507 609 I N 0.345 120.963 120.570 0.080 0.000 2.226 609 I HA -0.328 3.841 4.170 -0.001 0.000 0.245 609 I C 2.273 178.443 176.117 0.088 0.000 1.100 609 I CA 1.613 62.947 61.300 0.057 0.000 1.374 609 I CB -0.401 37.434 38.000 -0.275 0.000 1.057 609 I HN 0.178 nan 8.210 nan 0.000 0.413 610 K N 0.402 120.817 120.400 0.026 0.000 2.147 610 K HA -0.191 4.128 4.320 -0.001 0.000 0.205 610 K C 1.918 178.568 176.600 0.083 0.000 1.049 610 K CA 1.199 57.565 56.287 0.132 0.000 0.936 610 K CB -0.124 32.430 32.500 0.090 0.000 0.722 610 K HN 0.472 nan 8.250 nan 0.000 0.446 611 Q N -0.272 119.506 119.800 -0.038 0.000 2.425 611 Q HA 0.071 4.410 4.340 -0.001 0.000 0.204 611 Q C 0.839 176.726 176.000 -0.188 0.000 0.933 611 Q CA 0.381 56.123 55.803 -0.101 0.000 0.939 611 Q CB 0.458 29.117 28.738 -0.132 0.000 1.044 611 Q HN 0.277 nan 8.270 nan 0.000 0.513 612 N N -0.838 117.717 118.700 -0.242 0.000 2.159 612 N HA 0.159 4.899 4.740 -0.001 0.000 0.217 612 N C -1.009 174.133 175.510 -0.613 0.000 1.223 612 N CA 0.237 53.010 53.050 -0.462 0.000 0.896 612 N CB 1.031 39.067 38.487 -0.752 0.000 1.064 612 N HN -0.003 nan 8.380 nan 0.000 0.518 613 F N 0.365 120.337 119.950 0.037 0.000 2.569 613 F HA 0.333 4.859 4.527 -0.001 0.000 0.312 613 F C 0.033 175.955 175.800 0.203 0.000 1.109 613 F CA -0.612 57.469 58.000 0.135 0.000 0.919 613 F CB 1.960 41.055 39.000 0.158 0.000 1.211 613 F HN -0.373 nan 8.300 nan 0.000 0.446 614 T N 4.198 118.919 114.554 0.279 0.000 2.771 614 T HA 0.452 4.802 4.350 -0.001 0.000 0.281 614 T C -2.533 172.183 174.700 0.027 0.000 0.982 614 T CA -1.387 60.767 62.100 0.090 0.000 0.978 614 T CB 1.284 70.175 68.868 0.038 0.000 0.930 614 T HN 0.153 nan 8.240 nan 0.000 0.447 615 P HA 0.208 nan 4.420 nan 0.000 0.272 615 P C -0.162 177.079 177.300 -0.099 0.000 1.223 615 P CA -0.552 62.333 63.100 -0.358 0.000 0.784 615 P CB 0.382 31.651 31.700 -0.719 0.000 0.923 616 S N 1.677 117.367 115.700 -0.016 0.000 2.592 616 S HA 0.400 4.869 4.470 -0.001 0.000 0.271 616 S C -2.133 172.475 174.600 0.013 0.000 1.326 616 S CA -1.109 57.099 58.200 0.013 0.000 1.024 616 S CB -0.636 62.582 63.200 0.029 0.000 0.921 616 S HN 0.339 nan 8.310 nan 0.000 0.527 617 P HA 0.162 nan 4.420 nan 0.000 0.268 617 P C -0.810 176.544 177.300 0.090 0.000 1.204 617 P CA -0.303 62.827 63.100 0.049 0.000 0.768 617 P CB 0.085 31.803 31.700 0.031 0.000 0.842 618 F N 3.410 123.347 119.950 -0.021 0.000 2.412 618 F HA 0.389 4.915 4.527 -0.001 0.000 0.348 618 F C -0.076 175.718 175.800 -0.009 0.000 1.102 618 F CA 0.615 58.608 58.000 -0.011 0.000 1.196 618 F CB 0.715 39.710 39.000 -0.009 0.000 1.144 618 F HN 0.281 nan 8.300 nan 0.000 0.541 619 T N 0.000 114.255 114.554 -0.498 0.000 3.816 619 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 619 T CA 0.000 61.918 62.100 -0.303 0.000 1.349 619 T CB 0.000 68.777 68.868 -0.152 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658