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 1aof_1_A DATA FIRST_RESID 36 DATA SEQUENCE DVAAPGAPEG VTALSDAQYN EANKIYFERC AGCHGVLRKG ATGKALTPDL DATA SEQUENCE TRDLGFDYLQ SFITYASPAG MPNWGTSGEL SAEQVDLMAN YLLLDPAAPP DATA SEQUENCE EFGMKEMRES WKVHVAPEDR PTQQMNDWDL ENLFSVTLRD AGQIALIDGS DATA SEQUENCE TYEIKTVLDT GYAVHISRLS ASGRYLFVIG RDGKVNMIDL WMKEPTTVAE DATA SEQUENCE IKIGSEARSI ETSKMEGWED KYAIAGAYWP PQYVIMDGET LEPKKIQSTR DATA SEQUENCE GMTYDEQEYH PEPRVAAILA SHYRPEFIVN VKETGKILLV DYTDLNNLKT DATA SEQUENCE TEISAERFLH DGGLDGSHRY FITAANARNK LVVIDTKEGK LVAIEDTGGQ DATA SEQUENCE TPHPGRGANF VHPTFGPVWA TSHMGDDSVA LIGTDPEGHP DNAWKILDSF DATA SEQUENCE PALGGGSLFI KTHPNSQYLY VDATLNPEAE ISGSVAVFDI KAMTGDGSDP DATA SEQUENCE EFKTLPIAEW AGITEGQPRV VQGEFNKDGT EVWFSVWNGK DQESALVVVD DATA SEQUENCE DKTLELKHVI KDERLVTPTG KFNVYNTMTD TY 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 36 D HA 0.000 nan 4.640 nan 0.000 0.175 36 D C 0.000 176.379 176.300 0.132 0.000 2.045 36 D CA 0.000 54.070 54.000 0.117 0.000 0.868 36 D CB 0.000 40.855 40.800 0.092 0.000 0.688 37 V N -1.391 118.625 119.914 0.169 0.000 2.966 37 V HA 0.939 5.062 4.120 0.004 0.000 0.317 37 V C 0.209 176.383 176.094 0.132 0.000 1.070 37 V CA -0.761 61.644 62.300 0.175 0.000 1.008 37 V CB 1.534 33.513 31.823 0.260 0.000 1.070 37 V HN 0.700 nan 8.190 nan 0.000 0.457 38 A N 2.304 125.164 122.820 0.067 0.000 2.354 38 A HA 0.762 5.085 4.320 0.004 0.000 0.281 38 A C 0.652 178.159 177.584 -0.128 0.000 1.174 38 A CA 0.072 52.105 52.037 -0.007 0.000 0.828 38 A CB -0.219 18.771 19.000 -0.017 0.000 1.099 38 A HN 2.078 nan 8.150 nan 0.000 0.516 39 A N 5.151 127.856 122.820 -0.191 0.000 2.477 39 A HA 0.542 4.865 4.320 0.004 0.000 0.246 39 A C -1.589 175.729 177.584 -0.444 0.000 1.078 39 A CA -0.851 50.875 52.037 -0.519 0.000 0.770 39 A CB -0.424 18.408 19.000 -0.280 0.000 1.011 39 A HN 0.741 nan 8.150 nan 0.000 0.494 40 P HA 0.369 nan 4.420 nan 0.000 0.279 40 P C 0.304 177.461 177.300 -0.238 0.000 1.252 40 P CA -0.082 62.815 63.100 -0.338 0.000 0.811 40 P CB 0.974 32.469 31.700 -0.341 0.000 1.035 41 G N 0.045 108.754 108.800 -0.152 0.000 2.539 41 G HA2 0.485 4.447 3.960 0.004 0.000 0.258 41 G HA3 0.485 4.447 3.960 0.004 0.000 0.258 41 G C -0.572 174.269 174.900 -0.097 0.000 1.202 41 G CA -0.430 44.605 45.100 -0.107 0.000 0.851 41 G HN 0.677 nan 8.290 nan 0.000 0.556 42 A N 1.959 124.736 122.820 -0.072 0.000 2.301 42 A HA 0.777 5.100 4.320 0.004 0.000 0.312 42 A C -1.909 175.645 177.584 -0.049 0.000 1.182 42 A CA -1.138 50.864 52.037 -0.059 0.000 0.826 42 A CB 0.810 19.782 19.000 -0.046 0.000 1.134 42 A HN 0.565 nan 8.150 nan 0.000 0.501 43 P HA 0.331 nan 4.420 nan 0.000 0.279 43 P C -0.440 176.841 177.300 -0.032 0.000 1.282 43 P CA -0.516 62.562 63.100 -0.037 0.000 0.788 43 P CB 0.377 32.056 31.700 -0.036 0.000 1.139 44 E N -0.170 120.014 120.200 -0.027 0.000 2.366 44 E HA 0.321 4.673 4.350 0.004 0.000 0.266 44 E C 1.060 177.646 176.600 -0.023 0.000 1.015 44 E CA 1.178 57.563 56.400 -0.025 0.000 0.906 44 E CB -0.710 28.978 29.700 -0.021 0.000 0.979 44 E HN 0.661 nan 8.360 nan 0.000 0.443 45 G N 3.020 111.805 108.800 -0.026 0.000 2.358 45 G HA2 -0.261 3.701 3.960 0.004 0.000 0.224 45 G HA3 -0.261 3.701 3.960 0.004 0.000 0.224 45 G C 0.026 174.906 174.900 -0.034 0.000 1.073 45 G CA -0.065 45.020 45.100 -0.026 0.000 0.635 45 G HN 0.664 nan 8.290 nan 0.000 0.509 46 V N 2.893 122.789 119.914 -0.030 0.000 2.530 46 V HA 0.504 4.626 4.120 0.004 0.000 0.282 46 V C 1.018 177.086 176.094 -0.043 0.000 1.048 46 V CA 0.394 62.676 62.300 -0.030 0.000 0.997 46 V CB 1.298 33.108 31.823 -0.022 0.000 0.987 46 V HN 0.376 nan 8.190 nan 0.000 0.477 47 T N 4.358 118.879 114.554 -0.056 0.000 2.913 47 T HA 0.517 4.869 4.350 0.004 0.000 0.297 47 T C 0.383 175.066 174.700 -0.029 0.000 1.029 47 T CA 0.023 62.087 62.100 -0.059 0.000 1.104 47 T CB 1.232 70.040 68.868 -0.099 0.000 0.964 47 T HN 0.981 nan 8.240 nan 0.000 0.532 48 A N 2.981 125.785 122.820 -0.027 0.000 2.302 48 A HA 0.743 5.065 4.320 0.004 0.000 0.285 48 A C -0.425 177.166 177.584 0.011 0.000 1.105 48 A CA -0.652 51.376 52.037 -0.016 0.000 0.816 48 A CB 0.316 19.300 19.000 -0.027 0.000 1.067 48 A HN 0.808 nan 8.150 nan 0.000 0.489 49 L N 1.395 122.641 121.223 0.037 0.000 2.346 49 L HA 0.422 4.765 4.340 0.004 0.000 0.274 49 L C 0.810 177.720 176.870 0.066 0.000 1.007 49 L CA -0.702 54.186 54.840 0.080 0.000 0.818 49 L CB 2.165 44.332 42.059 0.179 0.000 1.284 49 L HN 0.936 nan 8.230 nan 0.000 0.424 50 S N -0.281 115.455 115.700 0.061 0.000 2.589 50 S HA 0.041 4.514 4.470 0.004 0.000 0.265 50 S C 0.589 175.237 174.600 0.080 0.000 1.342 50 S CA -0.604 57.624 58.200 0.048 0.000 1.005 50 S CB 0.862 64.084 63.200 0.038 0.000 0.909 50 S HN 0.613 nan 8.310 nan 0.000 0.555 51 D N 1.479 121.913 120.400 0.058 0.000 2.149 51 D HA -0.099 4.543 4.640 0.004 0.000 0.198 51 D C 2.175 178.539 176.300 0.106 0.000 0.990 51 D CA 1.783 55.831 54.000 0.079 0.000 0.839 51 D CB -0.833 39.995 40.800 0.047 0.000 0.948 51 D HN 0.700 nan 8.370 nan 0.000 0.460 52 A N 0.951 123.815 122.820 0.072 0.000 1.855 52 A HA -0.229 4.094 4.320 0.004 0.000 0.215 52 A C 2.190 179.810 177.584 0.059 0.000 1.191 52 A CA 1.457 53.528 52.037 0.057 0.000 0.613 52 A CB -0.676 18.346 19.000 0.037 0.000 0.829 52 A HN 0.186 nan 8.150 nan 0.000 0.442 53 Q N -1.901 117.940 119.800 0.068 0.000 2.030 53 Q HA -0.241 4.102 4.340 0.004 0.000 0.204 53 Q C 2.079 178.123 176.000 0.073 0.000 0.986 53 Q CA 2.066 57.905 55.803 0.060 0.000 0.843 53 Q CB -0.429 28.354 28.738 0.074 0.000 0.904 53 Q HN 0.790 nan 8.270 nan 0.000 0.420 54 Y N 1.719 122.038 120.300 0.032 0.000 2.128 54 Y HA -0.258 4.294 4.550 0.004 0.000 0.284 54 Y C 1.940 177.868 175.900 0.046 0.000 1.154 54 Y CA 1.570 59.712 58.100 0.071 0.000 1.149 54 Y CB -0.139 38.356 38.460 0.058 0.000 0.976 54 Y HN 0.150 nan 8.280 nan 0.000 0.505 55 N N 0.230 118.997 118.700 0.113 0.000 2.309 55 N HA -0.190 4.553 4.740 0.004 0.000 0.182 55 N C 1.824 177.282 175.510 -0.088 0.000 1.018 55 N CA 1.352 54.419 53.050 0.028 0.000 0.876 55 N CB -0.201 38.340 38.487 0.091 0.000 0.972 55 N HN 0.610 nan 8.380 nan 0.000 0.434 56 E N 0.938 121.085 120.200 -0.089 0.000 2.028 56 E HA -0.068 4.285 4.350 0.004 0.000 0.191 56 E C 1.868 178.323 176.600 -0.241 0.000 0.988 56 E CA 0.899 57.228 56.400 -0.119 0.000 0.799 56 E CB 0.012 29.667 29.700 -0.076 0.000 0.755 56 E HN 0.260 nan 8.360 nan 0.000 0.447 57 A N 1.026 123.646 122.820 -0.333 0.000 1.972 57 A HA -0.218 4.104 4.320 0.004 0.000 0.219 57 A C 1.924 178.920 177.584 -0.980 0.000 1.169 57 A CA 1.739 53.417 52.037 -0.597 0.000 0.635 57 A CB -0.744 17.918 19.000 -0.564 0.000 0.810 57 A HN 0.315 nan 8.150 nan 0.000 0.446 58 N N -0.132 118.075 118.700 -0.821 0.000 2.188 58 N HA -0.122 4.621 4.740 0.004 0.000 0.184 58 N C 1.607 176.789 175.510 -0.546 0.000 1.018 58 N CA 1.797 54.384 53.050 -0.771 0.000 0.858 58 N CB -0.213 37.997 38.487 -0.462 0.000 0.989 58 N HN 0.533 nan 8.380 nan 0.000 0.426 59 K N -0.072 120.150 120.400 -0.298 0.000 2.097 59 K HA 0.005 4.328 4.320 0.004 0.000 0.205 59 K C 1.997 178.501 176.600 -0.159 0.000 1.050 59 K CA 0.953 57.165 56.287 -0.126 0.000 0.938 59 K CB -0.062 32.401 32.500 -0.061 0.000 0.718 59 K HN 0.263 nan 8.250 nan 0.000 0.442 60 I N 0.190 120.606 120.570 -0.257 0.000 2.226 60 I HA -0.304 3.869 4.170 0.004 0.000 0.245 60 I C 2.400 178.328 176.117 -0.314 0.000 1.100 60 I CA 1.281 62.419 61.300 -0.270 0.000 1.374 60 I CB -0.287 37.522 38.000 -0.317 0.000 1.057 60 I HN 0.127 nan 8.210 nan 0.000 0.413 61 Y N 1.275 121.260 120.300 -0.524 0.000 2.114 61 Y HA -0.288 4.264 4.550 0.004 0.000 0.284 61 Y C 2.320 178.121 175.900 -0.165 0.000 1.143 61 Y CA 1.711 59.536 58.100 -0.457 0.000 1.135 61 Y CB -0.388 37.670 38.460 -0.670 0.000 0.980 61 Y HN -0.033 nan 8.280 nan 0.000 0.499 62 F N 0.915 120.799 119.950 -0.109 0.000 2.216 62 F HA -0.153 4.377 4.527 0.004 0.000 0.300 62 F C 2.285 177.988 175.800 -0.161 0.000 1.085 62 F CA 1.488 59.412 58.000 -0.127 0.000 1.326 62 F CB -0.855 38.126 39.000 -0.033 0.000 1.027 62 F HN 0.253 nan 8.300 nan 0.000 0.497 63 E N -0.661 119.557 120.200 0.029 0.000 2.086 63 E HA -0.061 4.292 4.350 0.004 0.000 0.190 63 E C 2.292 178.865 176.600 -0.045 0.000 0.975 63 E CA 0.614 57.013 56.400 -0.003 0.000 0.813 63 E CB 0.087 29.781 29.700 -0.011 0.000 0.768 63 E HN 0.340 nan 8.360 nan 0.000 0.457 64 R N -0.294 120.117 120.500 -0.148 0.000 2.087 64 R HA 0.076 4.418 4.340 0.004 0.000 0.213 64 R C 2.460 178.657 176.300 -0.172 0.000 1.137 64 R CA 1.098 57.108 56.100 -0.149 0.000 1.022 64 R CB -0.004 30.085 30.300 -0.351 0.000 0.920 64 R HN 0.225 nan 8.270 nan 0.000 0.451 65 C N 0.253 119.305 119.300 -0.414 0.000 2.504 65 C HA 0.321 4.783 4.460 0.004 0.000 0.279 65 C C 2.732 177.479 174.990 -0.406 0.000 1.358 65 C CA -0.079 58.700 59.018 -0.397 0.000 1.747 65 C CB -0.595 26.797 27.740 -0.581 0.000 2.037 65 C HN 0.489 nan 8.230 nan 0.000 0.503 66 A N 2.030 124.489 122.820 -0.601 0.000 1.958 66 A HA -0.040 4.283 4.320 0.004 0.000 0.221 66 A C 2.388 179.958 177.584 -0.023 0.000 1.178 66 A CA 2.326 54.221 52.037 -0.236 0.000 0.642 66 A CB -1.388 17.583 19.000 -0.049 0.000 0.816 66 A HN 0.603 nan 8.150 nan 0.000 0.453 67 G N -1.619 107.181 108.800 -0.000 0.000 2.432 67 G HA2 -0.211 3.752 3.960 0.004 0.000 0.219 67 G HA3 -0.211 3.752 3.960 0.004 0.000 0.219 67 G C 1.432 176.366 174.900 0.056 0.000 1.135 67 G CA 1.436 46.579 45.100 0.072 0.000 0.767 67 G HN 0.569 nan 8.290 nan 0.000 0.550 68 C N -1.168 118.138 119.300 0.010 0.000 2.535 68 C HA 0.284 4.746 4.460 0.004 0.000 0.310 68 C C 2.058 176.949 174.990 -0.165 0.000 1.344 68 C CA -0.018 58.945 59.018 -0.091 0.000 1.831 68 C CB -0.543 27.096 27.740 -0.168 0.000 2.284 68 C HN 0.493 nan 8.230 nan 0.000 0.523 69 H N 0.719 119.832 119.070 0.073 0.000 2.551 69 H HA 0.284 4.842 4.556 0.004 0.000 0.271 69 H C 1.271 176.695 175.328 0.160 0.000 0.984 69 H CA 1.141 57.266 56.048 0.129 0.000 1.164 69 H CB 0.040 29.927 29.762 0.209 0.000 1.437 69 H HN 0.548 nan 8.280 nan 0.000 0.550 70 G N 0.539 109.466 108.800 0.211 0.000 2.879 70 G HA2 -0.234 3.729 3.960 0.004 0.000 0.686 70 G HA3 -0.234 3.729 3.960 0.004 0.000 0.686 70 G C 0.826 175.862 174.900 0.227 0.000 1.115 70 G CA -0.128 45.084 45.100 0.186 0.000 0.770 70 G HN 0.108 nan 8.290 nan 0.000 0.601 71 V N 2.178 122.142 119.914 0.085 0.000 2.568 71 V HA -0.122 4.000 4.120 0.004 0.000 0.253 71 V C 2.530 178.682 176.094 0.097 0.000 1.072 71 V CA 2.267 64.544 62.300 -0.038 0.000 1.084 71 V CB -0.458 30.910 31.823 -0.758 0.000 0.676 71 V HN 0.580 nan 8.190 nan 0.000 0.469 72 L N -0.261 121.003 121.223 0.069 0.000 2.685 72 L HA 0.307 4.649 4.340 0.004 0.000 0.233 72 L C 1.125 178.057 176.870 0.103 0.000 1.173 72 L CA -0.061 54.831 54.840 0.087 0.000 0.961 72 L CB -0.126 41.984 42.059 0.085 0.000 1.217 72 L HN 0.280 nan 8.230 nan 0.000 0.478 73 R N -1.216 119.392 120.500 0.179 0.000 4.000 73 R HA -0.251 4.092 4.340 0.004 0.000 0.348 73 R C 1.165 177.538 176.300 0.122 0.000 1.204 73 R CA 0.703 56.898 56.100 0.160 0.000 0.987 73 R CB -1.528 28.770 30.300 -0.003 0.000 1.446 73 R HN 0.190 nan 8.270 nan 0.000 0.555 74 K N 1.045 121.513 120.400 0.112 0.000 2.439 74 K HA 0.034 4.357 4.320 0.004 0.000 0.197 74 K C 0.938 177.609 176.600 0.118 0.000 1.041 74 K CA 1.150 57.483 56.287 0.076 0.000 0.970 74 K CB 0.130 32.645 32.500 0.025 0.000 0.773 74 K HN 0.606 nan 8.250 nan 0.000 0.479 75 G N -2.029 106.870 108.800 0.164 0.000 2.705 75 G HA2 0.153 4.116 3.960 0.004 0.000 0.686 75 G HA3 0.153 4.116 3.960 0.004 0.000 0.686 75 G C -0.057 174.920 174.900 0.129 0.000 1.285 75 G CA -0.376 44.818 45.100 0.156 0.000 0.800 75 G HN 0.396 nan 8.290 nan 0.000 0.611 76 A N -0.553 122.309 122.820 0.069 0.000 1.563 76 A HA 0.692 5.015 4.320 0.004 0.000 0.136 76 A C 1.513 179.084 177.584 -0.023 0.000 1.513 76 A CA 1.381 53.449 52.037 0.052 0.000 2.423 76 A CB -0.375 18.656 19.000 0.052 0.000 2.489 76 A HN 1.710 nan 8.150 nan 0.000 1.317 77 T N 1.041 115.564 114.554 -0.052 0.000 3.235 77 T HA 0.501 4.854 4.350 0.004 0.000 0.251 77 T C 0.349 174.972 174.700 -0.129 0.000 1.060 77 T CA 0.789 62.844 62.100 -0.075 0.000 0.949 77 T CB -0.074 68.770 68.868 -0.040 0.000 1.020 77 T HN 1.125 nan 8.240 nan 0.000 0.564 78 G N 0.246 108.938 108.800 -0.180 0.000 2.692 78 G HA2 0.520 4.483 3.960 0.004 0.000 0.291 78 G HA3 0.520 4.483 3.960 0.004 0.000 0.291 78 G C -1.177 173.669 174.900 -0.088 0.000 1.423 78 G CA -0.835 44.087 45.100 -0.296 0.000 0.843 78 G HN -0.149 nan 8.290 nan 0.000 0.486 79 K N 0.004 120.429 120.400 0.042 0.000 2.336 79 K HA 0.461 4.784 4.320 0.004 0.000 0.262 79 K C 0.686 177.421 176.600 0.226 0.000 0.992 79 K CA -0.058 56.299 56.287 0.115 0.000 0.927 79 K CB 1.170 33.712 32.500 0.070 0.000 0.956 79 K HN 0.703 nan 8.250 nan 0.000 0.495 80 A N 2.991 125.889 122.820 0.131 0.000 2.454 80 A HA 0.204 4.527 4.320 0.004 0.000 0.260 80 A C 0.659 178.287 177.584 0.073 0.000 1.106 80 A CA -0.110 51.997 52.037 0.117 0.000 0.780 80 A CB -0.272 18.770 19.000 0.069 0.000 1.044 80 A HN 0.640 nan 8.150 nan 0.000 0.498 81 L N 3.423 124.680 121.223 0.056 0.000 2.984 81 L HA 0.129 4.471 4.340 0.004 0.000 0.246 81 L C 0.791 177.624 176.870 -0.062 0.000 1.268 81 L CA -0.255 54.563 54.840 -0.037 0.000 1.054 81 L CB -0.566 41.417 42.059 -0.125 0.000 1.393 81 L HN 0.877 nan 8.230 nan 0.000 0.532 82 T N -3.796 110.737 114.554 -0.035 0.000 2.898 82 T HA 0.159 4.512 4.350 0.004 0.000 0.301 82 T C -1.693 172.971 174.700 -0.061 0.000 1.049 82 T CA -1.384 60.685 62.100 -0.051 0.000 1.095 82 T CB 1.107 69.959 68.868 -0.027 0.000 0.976 82 T HN -0.104 nan 8.240 nan 0.000 0.539 83 P HA -0.234 nan 4.420 nan 0.000 0.217 83 P C 1.549 178.821 177.300 -0.047 0.000 1.162 83 P CA 1.639 64.699 63.100 -0.066 0.000 0.901 83 P CB -0.090 31.569 31.700 -0.068 0.000 0.793 84 D N -0.587 119.790 120.400 -0.039 0.000 2.228 84 D HA -0.182 4.460 4.640 0.004 0.000 0.203 84 D C 1.701 177.980 176.300 -0.035 0.000 0.988 84 D CA 1.411 55.392 54.000 -0.032 0.000 0.864 84 D CB -0.951 39.834 40.800 -0.025 0.000 0.928 84 D HN 0.263 nan 8.370 nan 0.000 0.469 85 L N 0.214 121.414 121.223 -0.039 0.000 2.269 85 L HA 0.010 4.353 4.340 0.004 0.000 0.200 85 L C 2.857 179.690 176.870 -0.061 0.000 1.069 85 L CA 1.092 55.904 54.840 -0.047 0.000 0.804 85 L CB -0.797 41.240 42.059 -0.037 0.000 0.987 85 L HN 0.079 nan 8.230 nan 0.000 0.468 86 T N -1.685 112.839 114.554 -0.051 0.000 2.746 86 T HA -0.208 4.145 4.350 0.004 0.000 0.267 86 T C 1.991 176.675 174.700 -0.026 0.000 1.039 86 T CA 1.073 63.149 62.100 -0.039 0.000 1.142 86 T CB -0.380 68.465 68.868 -0.037 0.000 0.866 86 T HN 0.198 nan 8.240 nan 0.000 0.444 87 R N 1.333 121.818 120.500 -0.025 0.000 2.120 87 R HA -0.065 4.277 4.340 0.004 0.000 0.234 87 R C 2.179 178.468 176.300 -0.018 0.000 1.123 87 R CA 1.669 57.762 56.100 -0.011 0.000 0.975 87 R CB -0.387 29.903 30.300 -0.017 0.000 0.866 87 R HN 0.459 nan 8.270 nan 0.000 0.446 88 D N 0.535 120.908 120.400 -0.044 0.000 2.144 88 D HA -0.103 4.539 4.640 0.004 0.000 0.200 88 D C 1.886 178.132 176.300 -0.090 0.000 0.978 88 D CA 0.932 54.897 54.000 -0.057 0.000 0.833 88 D CB -0.126 40.634 40.800 -0.068 0.000 0.961 88 D HN 0.161 nan 8.370 nan 0.000 0.470 89 L N -0.080 121.056 121.223 -0.145 0.000 2.046 89 L HA 0.078 4.420 4.340 0.004 0.000 0.208 89 L C 1.287 178.128 176.870 -0.047 0.000 1.077 89 L CA 0.868 55.544 54.840 -0.273 0.000 0.747 89 L CB -0.812 40.990 42.059 -0.429 0.000 0.896 89 L HN 0.176 nan 8.230 nan 0.000 0.432 90 G N -1.775 107.051 108.800 0.042 0.000 2.712 90 G HA2 -0.286 3.676 3.960 0.004 0.000 0.686 90 G HA3 -0.286 3.676 3.960 0.004 0.000 0.686 90 G C -0.063 174.966 174.900 0.215 0.000 1.321 90 G CA -0.133 45.045 45.100 0.131 0.000 0.813 90 G HN 0.020 nan 8.290 nan 0.000 0.599 91 F N 0.847 120.841 119.950 0.074 0.000 2.008 91 F HA -0.157 4.372 4.527 0.004 0.000 0.297 91 F C 2.593 178.452 175.800 0.098 0.000 1.156 91 F CA 2.879 60.922 58.000 0.072 0.000 1.191 91 F CB -0.319 38.708 39.000 0.045 0.000 0.955 91 F HN 0.600 nan 8.300 nan 0.000 0.497 92 D N -1.170 119.306 120.400 0.126 0.000 2.172 92 D HA -0.306 4.337 4.640 0.004 0.000 0.196 92 D C 2.080 178.385 176.300 0.008 0.000 0.999 92 D CA 2.049 56.053 54.000 0.007 0.000 0.856 92 D CB -0.819 40.056 40.800 0.125 0.000 0.934 92 D HN 0.480 nan 8.370 nan 0.000 0.453 93 Y N 1.693 121.998 120.300 0.009 0.000 2.145 93 Y HA -0.187 4.365 4.550 0.004 0.000 0.286 93 Y C 2.377 178.321 175.900 0.074 0.000 1.145 93 Y CA 1.315 59.454 58.100 0.065 0.000 1.148 93 Y CB -0.393 38.124 38.460 0.095 0.000 0.981 93 Y HN -0.108 nan 8.280 nan 0.000 0.507 94 L N 0.053 121.393 121.223 0.194 0.000 1.994 94 L HA -0.261 4.082 4.340 0.004 0.000 0.208 94 L C 2.673 179.484 176.870 -0.098 0.000 1.071 94 L CA 1.911 56.797 54.840 0.075 0.000 0.745 94 L CB -0.972 41.105 42.059 0.030 0.000 0.892 94 L HN 0.282 nan 8.230 nan 0.000 0.431 95 Q N 0.428 120.052 119.800 -0.293 0.000 2.173 95 Q HA -0.263 4.080 4.340 0.004 0.000 0.208 95 Q C 2.290 178.118 176.000 -0.286 0.000 0.989 95 Q CA 2.578 58.151 55.803 -0.383 0.000 0.872 95 Q CB -0.008 28.359 28.738 -0.619 0.000 0.909 95 Q HN 0.655 nan 8.270 nan 0.000 0.420 96 S N -0.577 114.973 115.700 -0.251 0.000 2.335 96 S HA -0.117 4.355 4.470 0.004 0.000 0.217 96 S C 1.737 176.193 174.600 -0.240 0.000 1.032 96 S CA 0.786 58.800 58.200 -0.310 0.000 0.985 96 S CB -0.942 62.142 63.200 -0.193 0.000 0.896 96 S HN 0.421 nan 8.310 nan 0.000 0.445 97 F N 2.233 122.032 119.950 -0.251 0.000 2.192 97 F HA -0.009 4.520 4.527 0.004 0.000 0.301 97 F C 2.058 177.835 175.800 -0.039 0.000 1.079 97 F CA 0.848 58.760 58.000 -0.146 0.000 1.303 97 F CB -0.427 38.468 39.000 -0.175 0.000 1.024 97 F HN 0.201 nan 8.300 nan 0.000 0.494 98 I N -1.532 119.116 120.570 0.131 0.000 2.233 98 I HA -0.261 3.912 4.170 0.004 0.000 0.243 98 I C 2.166 178.352 176.117 0.115 0.000 1.093 98 I CA 1.580 62.965 61.300 0.142 0.000 1.380 98 I CB -0.786 37.220 38.000 0.010 0.000 1.067 98 I HN -0.004 nan 8.210 nan 0.000 0.413 99 T N -0.244 114.239 114.554 -0.119 0.000 2.812 99 T HA -0.107 4.246 4.350 0.004 0.000 0.264 99 T C 1.626 176.245 174.700 -0.135 0.000 1.042 99 T CA 1.369 63.339 62.100 -0.217 0.000 1.140 99 T CB -0.179 68.373 68.868 -0.527 0.000 0.870 99 T HN 0.186 nan 8.240 nan 0.000 0.445 100 Y N 1.110 121.400 120.300 -0.016 0.000 2.389 100 Y HA 0.576 5.129 4.550 0.004 0.000 0.292 100 Y C 1.544 177.404 175.900 -0.067 0.000 1.117 100 Y CA -0.521 57.540 58.100 -0.065 0.000 1.195 100 Y CB -0.771 37.615 38.460 -0.124 0.000 1.076 100 Y HN 0.330 nan 8.280 nan 0.000 0.548 101 A N 0.294 123.179 122.820 0.109 0.000 5.997 101 A HA 0.165 4.487 4.320 0.004 0.000 0.222 101 A C 0.262 177.849 177.584 0.005 0.000 2.407 101 A CA 0.305 52.409 52.037 0.112 0.000 0.697 101 A CB -1.886 17.144 19.000 0.051 0.000 0.841 101 A HN 0.892 nan 8.150 nan 0.000 0.335 102 S N -2.294 113.443 115.700 0.062 0.000 2.611 102 S HA 0.777 5.250 4.470 0.004 0.000 0.268 102 S C -2.598 172.029 174.600 0.045 0.000 1.156 102 S CA -0.120 58.098 58.200 0.031 0.000 0.817 102 S CB 1.324 64.621 63.200 0.162 0.000 1.122 102 S HN 0.766 nan 8.310 nan 0.000 0.466 103 P HA 0.300 nan 4.420 nan 0.000 0.224 103 P C 1.426 178.746 177.300 0.034 0.000 1.157 103 P CA 1.105 64.215 63.100 0.017 0.000 0.799 103 P CB -0.147 31.555 31.700 0.004 0.000 0.809 104 A N -0.612 122.248 122.820 0.066 0.000 2.121 104 A HA 0.248 4.570 4.320 0.004 0.000 0.218 104 A C 1.809 179.426 177.584 0.055 0.000 1.154 104 A CA 1.759 53.835 52.037 0.064 0.000 0.679 104 A CB -1.032 18.024 19.000 0.092 0.000 0.795 104 A HN 0.307 nan 8.150 nan 0.000 0.458 105 G N -2.991 105.850 108.800 0.069 0.000 3.259 105 G HA2 0.019 3.982 3.960 0.004 0.000 0.217 105 G HA3 0.019 3.982 3.960 0.004 0.000 0.217 105 G C 0.129 175.077 174.900 0.081 0.000 0.993 105 G CA 0.114 45.245 45.100 0.052 0.000 0.836 105 G HN 0.365 nan 8.290 nan 0.000 0.514 106 M N 3.226 122.917 119.600 0.152 0.000 2.251 106 M HA 0.545 5.027 4.480 0.004 0.000 0.346 106 M C -2.506 173.878 176.300 0.139 0.000 1.499 106 M CA -2.900 52.537 55.300 0.229 0.000 1.128 106 M CB 0.483 33.315 32.600 0.387 0.000 1.809 106 M HN -0.050 nan 8.290 nan 0.000 0.464 107 P HA 0.160 nan 4.420 nan 0.000 0.274 107 P C -1.096 176.019 177.300 -0.309 0.000 1.231 107 P CA -0.166 62.775 63.100 -0.265 0.000 0.790 107 P CB 0.338 31.655 31.700 -0.638 0.000 0.951 108 N N 1.865 120.386 118.700 -0.298 0.000 2.968 108 N HA 0.005 4.748 4.740 0.004 0.000 0.271 108 N C 0.102 175.504 175.510 -0.180 0.000 1.174 108 N CA -0.343 52.626 53.050 -0.136 0.000 1.096 108 N CB -0.614 37.841 38.487 -0.053 0.000 1.403 108 N HN 0.468 nan 8.380 nan 0.000 0.522 109 W N 1.494 122.808 121.300 0.023 0.000 2.363 109 W HA 0.050 4.712 4.660 0.004 0.000 0.296 109 W C 2.186 178.697 176.519 -0.013 0.000 1.212 109 W CA 1.135 58.482 57.345 0.003 0.000 1.260 109 W CB -0.276 29.181 29.460 -0.004 0.000 1.131 109 W HN 0.531 nan 8.180 nan 0.000 0.530 110 G N -0.055 108.841 108.800 0.160 0.000 2.425 110 G HA2 -0.222 3.740 3.960 0.004 0.000 0.213 110 G HA3 -0.222 3.740 3.960 0.004 0.000 0.213 110 G C 1.465 176.402 174.900 0.062 0.000 1.201 110 G CA 1.889 47.030 45.100 0.069 0.000 0.799 110 G HN 0.255 nan 8.290 nan 0.000 0.534 111 T N 0.383 114.983 114.554 0.076 0.000 2.833 111 T HA -0.159 4.193 4.350 0.004 0.000 0.269 111 T C 2.523 177.243 174.700 0.033 0.000 1.054 111 T CA 1.987 64.135 62.100 0.080 0.000 1.135 111 T CB -0.522 68.418 68.868 0.120 0.000 0.869 111 T HN 0.429 nan 8.240 nan 0.000 0.466 112 S N 0.962 116.666 115.700 0.006 0.000 2.481 112 S HA 0.322 4.794 4.470 0.004 0.000 0.231 112 S C 2.071 176.676 174.600 0.008 0.000 0.996 112 S CA 0.576 58.763 58.200 -0.023 0.000 0.942 112 S CB -0.865 62.279 63.200 -0.093 0.000 0.768 112 S HN 1.289 nan 8.310 nan 0.000 0.520 113 G N 0.896 109.718 108.800 0.038 0.000 2.157 113 G HA2 -0.250 3.713 3.960 0.004 0.000 0.248 113 G HA3 -0.250 3.713 3.960 0.004 0.000 0.248 113 G C 0.694 175.638 174.900 0.074 0.000 0.979 113 G CA 0.386 45.515 45.100 0.048 0.000 0.650 113 G HN 0.428 nan 8.290 nan 0.000 0.529 114 E N -0.449 119.818 120.200 0.112 0.000 2.106 114 E HA 0.061 4.413 4.350 0.004 0.000 0.192 114 E C 1.281 178.003 176.600 0.203 0.000 0.984 114 E CA 0.871 57.389 56.400 0.195 0.000 0.806 114 E CB 0.019 29.923 29.700 0.340 0.000 0.750 114 E HN 0.629 nan 8.360 nan 0.000 0.458 115 L N 1.265 122.603 121.223 0.192 0.000 2.376 115 L HA 0.208 4.551 4.340 0.004 0.000 0.275 115 L C 0.227 177.135 176.870 0.064 0.000 0.987 115 L CA -0.701 54.203 54.840 0.106 0.000 0.828 115 L CB 1.964 44.078 42.059 0.092 0.000 1.249 115 L HN -0.090 nan 8.230 nan 0.000 0.409 116 S N 1.553 117.273 115.700 0.034 0.000 2.596 116 S HA 0.306 4.779 4.470 0.004 0.000 0.260 116 S C 1.359 175.967 174.600 0.014 0.000 1.336 116 S CA -0.004 58.211 58.200 0.024 0.000 0.993 116 S CB 1.479 64.689 63.200 0.017 0.000 0.923 116 S HN 0.714 nan 8.310 nan 0.000 0.567 117 A N 0.863 123.690 122.820 0.013 0.000 1.884 117 A HA -0.209 4.113 4.320 0.004 0.000 0.219 117 A C 2.170 179.761 177.584 0.011 0.000 1.197 117 A CA 2.074 54.116 52.037 0.009 0.000 0.637 117 A CB -1.336 17.673 19.000 0.016 0.000 0.827 117 A HN 0.964 nan 8.150 nan 0.000 0.450 118 E N -0.771 119.438 120.200 0.015 0.000 2.038 118 E HA -0.250 4.103 4.350 0.004 0.000 0.195 118 E C 2.379 178.983 176.600 0.006 0.000 1.000 118 E CA 1.509 57.920 56.400 0.018 0.000 0.803 118 E CB -0.231 29.477 29.700 0.013 0.000 0.750 118 E HN 0.751 nan 8.360 nan 0.000 0.448 119 Q N 0.107 119.899 119.800 -0.012 0.000 2.152 119 Q HA -0.184 4.158 4.340 0.004 0.000 0.206 119 Q C 2.347 178.315 176.000 -0.053 0.000 0.985 119 Q CA 1.491 57.269 55.803 -0.042 0.000 0.863 119 Q CB -0.120 28.589 28.738 -0.048 0.000 0.904 119 Q HN 0.181 nan 8.270 nan 0.000 0.422 120 V N 1.484 121.377 119.914 -0.036 0.000 2.261 120 V HA -0.256 3.866 4.120 0.004 0.000 0.246 120 V C 1.695 177.758 176.094 -0.051 0.000 1.047 120 V CA 2.050 64.318 62.300 -0.055 0.000 1.015 120 V CB -0.515 31.273 31.823 -0.058 0.000 0.642 120 V HN 0.319 nan 8.190 nan 0.000 0.446 121 D N -0.241 120.161 120.400 0.005 0.000 2.149 121 D HA -0.148 4.495 4.640 0.004 0.000 0.198 121 D C 2.120 178.509 176.300 0.148 0.000 0.990 121 D CA 1.077 55.146 54.000 0.115 0.000 0.839 121 D CB -0.195 40.729 40.800 0.207 0.000 0.948 121 D HN 0.325 nan 8.370 nan 0.000 0.460 122 L N 0.182 121.443 121.223 0.064 0.000 1.994 122 L HA -0.191 4.152 4.340 0.004 0.000 0.208 122 L C 2.278 179.167 176.870 0.032 0.000 1.071 122 L CA 0.974 55.840 54.840 0.044 0.000 0.745 122 L CB -0.102 41.943 42.059 -0.023 0.000 0.892 122 L HN 0.026 nan 8.230 nan 0.000 0.431 123 M N -0.822 118.750 119.600 -0.047 0.000 2.159 123 M HA -0.144 4.339 4.480 0.004 0.000 0.263 123 M C 2.439 178.751 176.300 0.020 0.000 1.063 123 M CA 1.735 56.987 55.300 -0.080 0.000 1.110 123 M CB -1.604 30.894 32.600 -0.170 0.000 1.374 123 M HN 0.324 nan 8.290 nan 0.000 0.411 124 A N 0.160 122.983 122.820 0.005 0.000 1.930 124 A HA -0.188 4.135 4.320 0.004 0.000 0.217 124 A C 2.121 179.803 177.584 0.163 0.000 1.175 124 A CA 2.133 54.160 52.037 -0.017 0.000 0.627 124 A CB -1.042 17.772 19.000 -0.311 0.000 0.815 124 A HN 0.572 nan 8.150 nan 0.000 0.443 125 N N -2.207 116.659 118.700 0.277 0.000 2.250 125 N HA -0.132 4.610 4.740 0.004 0.000 0.181 125 N C 1.598 177.211 175.510 0.172 0.000 1.017 125 N CA 1.125 54.333 53.050 0.264 0.000 0.866 125 N CB -0.302 38.321 38.487 0.227 0.000 0.985 125 N HN 0.545 nan 8.380 nan 0.000 0.429 126 Y N 1.185 121.490 120.300 0.009 0.000 2.165 126 Y HA -0.152 4.401 4.550 0.004 0.000 0.286 126 Y C 1.579 177.429 175.900 -0.083 0.000 1.155 126 Y CA 1.511 59.577 58.100 -0.057 0.000 1.164 126 Y CB -0.273 38.061 38.460 -0.210 0.000 0.978 126 Y HN 0.074 nan 8.280 nan 0.000 0.513 127 L N -0.089 121.158 121.223 0.039 0.000 2.265 127 L HA -0.207 4.135 4.340 0.004 0.000 0.215 127 L C 2.020 178.828 176.870 -0.104 0.000 1.117 127 L CA 0.833 55.618 54.840 -0.092 0.000 0.782 127 L CB -0.436 41.606 42.059 -0.028 0.000 0.914 127 L HN 0.345 nan 8.230 nan 0.000 0.441 128 L N -0.723 120.479 121.223 -0.036 0.000 2.509 128 L HA 0.074 4.417 4.340 0.004 0.000 0.222 128 L C 0.789 177.619 176.870 -0.066 0.000 1.123 128 L CA 0.036 54.863 54.840 -0.022 0.000 0.856 128 L CB 0.036 42.122 42.059 0.045 0.000 0.985 128 L HN 0.171 nan 8.230 nan 0.000 0.456 129 L N -0.857 120.297 121.223 -0.115 0.000 2.387 129 L HA 0.270 4.613 4.340 0.004 0.000 0.266 129 L C -0.057 176.698 176.870 -0.192 0.000 1.059 129 L CA -1.004 53.757 54.840 -0.132 0.000 0.801 129 L CB 0.688 42.698 42.059 -0.082 0.000 1.223 129 L HN -0.071 nan 8.230 nan 0.000 0.456 130 D N 1.268 121.571 120.400 -0.162 0.000 2.449 130 D HA 0.094 4.736 4.640 0.004 0.000 0.236 130 D C -2.170 174.028 176.300 -0.171 0.000 1.149 130 D CA -0.566 53.346 54.000 -0.146 0.000 0.878 130 D CB 0.467 41.198 40.800 -0.115 0.000 1.198 130 D HN 0.201 nan 8.370 nan 0.000 0.446 131 P HA 0.116 nan 4.420 nan 0.000 0.268 131 P C -0.932 176.369 177.300 0.002 0.000 1.204 131 P CA -0.089 62.931 63.100 -0.133 0.000 0.768 131 P CB 0.570 32.231 31.700 -0.065 0.000 0.842 132 A N 3.366 126.236 122.820 0.083 0.000 2.409 132 A HA 0.522 4.844 4.320 0.004 0.000 0.262 132 A C 0.440 178.212 177.584 0.314 0.000 1.113 132 A CA -0.338 51.849 52.037 0.249 0.000 0.790 132 A CB -0.114 19.079 19.000 0.322 0.000 1.046 132 A HN 0.576 nan 8.150 nan 0.000 0.496 133 A N 4.914 127.873 122.820 0.232 0.000 2.484 133 A HA 0.526 4.848 4.320 0.004 0.000 0.268 133 A C -2.134 175.579 177.584 0.215 0.000 1.114 133 A CA -0.961 51.195 52.037 0.199 0.000 0.780 133 A CB -0.743 18.352 19.000 0.157 0.000 1.061 133 A HN 0.650 nan 8.150 nan 0.000 0.505 134 P HA 0.265 nan 4.420 nan 0.000 0.272 134 P C -2.405 174.987 177.300 0.154 0.000 1.230 134 P CA -0.906 62.082 63.100 -0.187 0.000 0.788 134 P CB 0.009 31.177 31.700 -0.886 0.000 0.949 135 P HA 0.167 nan 4.420 nan 0.000 0.279 135 P C -0.410 177.135 177.300 0.409 0.000 1.239 135 P CA -0.032 63.229 63.100 0.267 0.000 0.789 135 P CB 0.939 32.770 31.700 0.218 0.000 0.933 136 E N 1.181 121.544 120.200 0.271 0.000 2.312 136 E HA 0.380 4.733 4.350 0.004 0.000 0.259 136 E C -0.971 175.761 176.600 0.220 0.000 1.122 136 E CA -0.362 56.150 56.400 0.186 0.000 0.922 136 E CB 0.709 30.463 29.700 0.090 0.000 1.109 136 E HN 0.441 nan 8.360 nan 0.000 0.442 137 F N 0.242 120.171 119.950 -0.034 0.000 3.050 137 F HA 0.359 4.888 4.527 0.004 0.000 0.382 137 F C 0.149 175.913 175.800 -0.061 0.000 1.246 137 F CA -0.330 57.655 58.000 -0.026 0.000 1.217 137 F CB 0.615 39.602 39.000 -0.021 0.000 1.795 137 F HN 0.446 nan 8.300 nan 0.000 0.622 138 G N 2.064 110.774 108.800 -0.150 0.000 2.606 138 G HA2 0.248 4.211 3.960 0.004 0.000 0.262 138 G HA3 0.248 4.211 3.960 0.004 0.000 0.262 138 G C 0.824 175.620 174.900 -0.174 0.000 1.394 138 G CA -0.409 44.617 45.100 -0.123 0.000 1.044 138 G HN 0.518 nan 8.290 nan 0.000 0.553 139 M N -0.105 119.419 119.600 -0.127 0.000 2.082 139 M HA -0.084 4.399 4.480 0.004 0.000 0.258 139 M C 2.370 178.593 176.300 -0.129 0.000 1.069 139 M CA 2.163 57.393 55.300 -0.117 0.000 1.102 139 M CB -0.497 32.047 32.600 -0.093 0.000 1.336 139 M HN 0.625 nan 8.290 nan 0.000 0.404 140 K N -0.652 119.669 120.400 -0.133 0.000 2.032 140 K HA -0.241 4.082 4.320 0.004 0.000 0.209 140 K C 1.679 178.172 176.600 -0.178 0.000 1.048 140 K CA 2.097 58.313 56.287 -0.119 0.000 0.927 140 K CB -0.128 32.311 32.500 -0.101 0.000 0.712 140 K HN 0.338 nan 8.250 nan 0.000 0.441 141 E N 0.424 120.412 120.200 -0.352 0.000 2.072 141 E HA -0.130 4.223 4.350 0.004 0.000 0.191 141 E C 1.990 178.303 176.600 -0.478 0.000 0.985 141 E CA 1.559 57.589 56.400 -0.617 0.000 0.801 141 E CB -0.097 28.785 29.700 -1.364 0.000 0.750 141 E HN 0.355 nan 8.360 nan 0.000 0.452 142 M N -0.078 119.330 119.600 -0.320 0.000 2.132 142 M HA -0.106 4.376 4.480 0.004 0.000 0.263 142 M C 2.093 178.440 176.300 0.078 0.000 1.065 142 M CA 1.408 56.729 55.300 0.035 0.000 1.122 142 M CB -0.173 32.453 32.600 0.042 0.000 1.365 142 M HN -0.007 nan 8.290 nan 0.000 0.411 143 R N 0.108 120.626 120.500 0.029 0.000 2.148 143 R HA -0.107 4.235 4.340 0.004 0.000 0.227 143 R C 1.814 178.222 176.300 0.180 0.000 1.103 143 R CA 1.032 57.224 56.100 0.152 0.000 0.983 143 R CB -0.269 30.092 30.300 0.102 0.000 0.874 143 R HN 0.522 nan 8.270 nan 0.000 0.451 144 E N 0.255 120.503 120.200 0.079 0.000 2.208 144 E HA -0.107 4.246 4.350 0.004 0.000 0.193 144 E C 1.767 178.434 176.600 0.112 0.000 0.988 144 E CA 1.432 57.874 56.400 0.070 0.000 0.828 144 E CB 0.150 29.860 29.700 0.018 0.000 0.763 144 E HN 0.304 nan 8.360 nan 0.000 0.478 145 S N -0.306 115.491 115.700 0.163 0.000 2.524 145 S HA -0.045 4.427 4.470 0.004 0.000 0.216 145 S C 0.268 175.003 174.600 0.225 0.000 0.987 145 S CA -0.626 57.691 58.200 0.195 0.000 0.909 145 S CB -0.178 63.180 63.200 0.264 0.000 0.781 145 S HN 0.290 nan 8.310 nan 0.000 0.521 146 W N 3.622 124.935 121.300 0.022 0.000 2.303 146 W HA 0.503 5.166 4.660 0.004 0.000 0.318 146 W C -0.606 175.882 176.519 -0.051 0.000 1.362 146 W CA -1.048 56.290 57.345 -0.011 0.000 1.234 146 W CB 0.149 29.602 29.460 -0.012 0.000 1.248 146 W HN 0.012 nan 8.180 nan 0.000 0.546 147 K N 5.231 125.456 120.400 -0.292 0.000 2.507 147 K HA 0.416 4.738 4.320 0.004 0.000 0.251 147 K C -1.511 174.669 176.600 -0.701 0.000 0.943 147 K CA -1.015 54.948 56.287 -0.540 0.000 0.794 147 K CB 2.249 34.530 32.500 -0.364 0.000 1.188 147 K HN 0.096 nan 8.250 nan 0.000 0.428 148 V N 4.714 124.196 119.914 -0.720 0.000 2.318 148 V HA 0.105 4.228 4.120 0.004 0.000 0.271 148 V C 0.782 176.661 176.094 -0.359 0.000 1.030 148 V CA -0.555 61.454 62.300 -0.484 0.000 0.844 148 V CB 0.576 32.155 31.823 -0.406 0.000 1.015 148 V HN 0.810 nan 8.190 nan 0.000 0.460 149 H N 3.195 122.206 119.070 -0.099 0.000 2.372 149 H HA 0.130 4.689 4.556 0.004 0.000 0.301 149 H C 0.390 175.686 175.328 -0.053 0.000 1.065 149 H CA 1.082 57.090 56.048 -0.067 0.000 1.364 149 H CB 0.580 30.319 29.762 -0.039 0.000 1.406 149 H HN 0.393 nan 8.280 nan 0.000 0.521 150 V N 1.402 121.354 119.914 0.064 0.000 2.409 150 V HA 0.470 4.593 4.120 0.004 0.000 0.290 150 V C 0.132 176.227 176.094 0.002 0.000 1.017 150 V CA -1.053 61.267 62.300 0.033 0.000 0.841 150 V CB 1.229 33.082 31.823 0.050 0.000 1.003 150 V HN 0.363 nan 8.190 nan 0.000 0.426 151 A N 6.489 129.301 122.820 -0.013 0.000 2.483 151 A HA 0.436 4.759 4.320 0.004 0.000 0.238 151 A C -1.197 176.391 177.584 0.007 0.000 1.070 151 A CA -0.645 51.382 52.037 -0.017 0.000 0.770 151 A CB 0.001 18.988 19.000 -0.021 0.000 1.008 151 A HN 0.682 nan 8.150 nan 0.000 0.497 152 P HA -0.241 nan 4.420 nan 0.000 0.216 152 P C 1.279 178.599 177.300 0.034 0.000 1.154 152 P CA 1.808 64.924 63.100 0.026 0.000 0.865 152 P CB 0.103 31.811 31.700 0.014 0.000 0.789 153 E N -0.820 119.394 120.200 0.022 0.000 2.338 153 E HA -0.163 4.189 4.350 0.004 0.000 0.197 153 E C 0.587 177.201 176.600 0.024 0.000 1.007 153 E CA 1.169 57.583 56.400 0.022 0.000 0.849 153 E CB -0.874 28.834 29.700 0.013 0.000 0.774 153 E HN 0.306 nan 8.360 nan 0.000 0.506 154 D N 0.804 121.218 120.400 0.024 0.000 2.349 154 D HA 0.117 4.760 4.640 0.004 0.000 0.214 154 D C 0.300 176.621 176.300 0.036 0.000 1.063 154 D CA 0.002 54.017 54.000 0.024 0.000 0.847 154 D CB 0.356 41.166 40.800 0.016 0.000 0.933 154 D HN 0.131 nan 8.370 nan 0.000 0.513 155 R N 0.967 121.497 120.500 0.051 0.000 2.549 155 R HA 0.421 4.763 4.340 0.004 0.000 0.267 155 R C -2.283 174.067 176.300 0.084 0.000 1.045 155 R CA -1.495 54.648 56.100 0.072 0.000 1.115 155 R CB 0.118 30.477 30.300 0.098 0.000 1.121 155 R HN -0.154 nan 8.270 nan 0.000 0.543 156 P HA -0.009 nan 4.420 nan 0.000 0.267 156 P C 0.215 177.635 177.300 0.200 0.000 1.200 156 P CA 0.195 63.370 63.100 0.125 0.000 0.772 156 P CB 0.624 32.410 31.700 0.144 0.000 0.855 157 T N -1.711 112.931 114.554 0.147 0.000 3.086 157 T HA 0.128 4.481 4.350 0.004 0.000 0.250 157 T C 0.366 175.179 174.700 0.189 0.000 1.074 157 T CA -0.043 62.162 62.100 0.175 0.000 0.988 157 T CB -0.293 68.625 68.868 0.083 0.000 0.988 157 T HN 0.636 nan 8.240 nan 0.000 0.530 158 Q N -0.228 119.587 119.800 0.024 0.000 2.575 158 Q HA 0.342 4.685 4.340 0.004 0.000 0.290 158 Q C -1.307 174.282 176.000 -0.684 0.000 0.963 158 Q CA -1.204 54.312 55.803 -0.477 0.000 0.783 158 Q CB 0.998 29.539 28.738 -0.327 0.000 1.467 158 Q HN 0.129 nan 8.270 nan 0.000 0.402 159 Q N 1.510 120.539 119.800 -1.287 0.000 2.255 159 Q HA 0.055 4.397 4.340 0.004 0.000 0.280 159 Q C -0.031 175.700 176.000 -0.449 0.000 1.068 159 Q CA 0.416 55.634 55.803 -0.976 0.000 0.911 159 Q CB 0.545 28.696 28.738 -0.978 0.000 1.157 159 Q HN 0.776 nan 8.270 nan 0.000 0.380 160 M N 2.259 121.687 119.600 -0.287 0.000 2.492 160 M HA 0.074 4.557 4.480 0.004 0.000 0.255 160 M C 0.097 176.270 176.300 -0.212 0.000 1.139 160 M CA 0.113 55.294 55.300 -0.199 0.000 1.096 160 M CB -0.228 32.296 32.600 -0.127 0.000 1.360 160 M HN 0.537 nan 8.290 nan 0.000 0.480 161 N N 0.825 119.346 118.700 -0.298 0.000 2.478 161 N HA 0.135 4.877 4.740 0.004 0.000 0.275 161 N C -0.171 175.203 175.510 -0.226 0.000 1.221 161 N CA -0.505 52.332 53.050 -0.356 0.000 0.979 161 N CB 0.408 38.401 38.487 -0.824 0.000 1.202 161 N HN -0.001 nan 8.380 nan 0.000 0.564 162 D N -1.963 118.395 120.400 -0.070 0.000 2.501 162 D HA 0.065 4.708 4.640 0.004 0.000 0.226 162 D C -0.802 175.635 176.300 0.228 0.000 1.198 162 D CA -0.480 53.553 54.000 0.055 0.000 0.830 162 D CB -0.335 40.505 40.800 0.067 0.000 1.014 162 D HN 0.365 nan 8.370 nan 0.000 0.496 163 W N 1.352 122.642 121.300 -0.016 0.000 2.126 163 W HA 0.288 4.951 4.660 0.006 0.000 0.346 163 W C 0.796 177.315 176.519 0.001 0.000 1.279 163 W CA -1.007 56.339 57.345 0.002 0.000 1.259 163 W CB -0.028 29.445 29.460 0.022 0.000 1.133 163 W HN -0.106 nan 8.180 nan 0.000 0.592 164 D N 2.138 122.683 120.400 0.243 0.000 2.494 164 D HA 0.118 4.761 4.640 0.004 0.000 0.217 164 D C 1.229 177.635 176.300 0.177 0.000 1.153 164 D CA 0.066 54.152 54.000 0.144 0.000 0.954 164 D CB 0.148 40.995 40.800 0.079 0.000 1.034 164 D HN 0.281 nan 8.370 nan 0.000 0.518 165 L N 2.158 123.501 121.223 0.200 0.000 2.042 165 L HA -0.175 4.168 4.340 0.004 0.000 0.210 165 L C 1.996 178.962 176.870 0.160 0.000 1.076 165 L CA 1.153 56.121 54.840 0.213 0.000 0.749 165 L CB -0.242 41.943 42.059 0.210 0.000 0.893 165 L HN 0.409 nan 8.230 nan 0.000 0.432 166 E N -0.285 120.001 120.200 0.144 0.000 2.268 166 E HA -0.191 4.162 4.350 0.004 0.000 0.195 166 E C 1.155 177.808 176.600 0.088 0.000 0.995 166 E CA 0.730 57.224 56.400 0.155 0.000 0.836 166 E CB -0.103 29.700 29.700 0.171 0.000 0.763 166 E HN 0.340 nan 8.360 nan 0.000 0.491 167 N N 0.341 119.078 118.700 0.062 0.000 2.230 167 N HA 0.050 4.792 4.740 0.004 0.000 0.202 167 N C -0.521 175.019 175.510 0.049 0.000 1.119 167 N CA -0.141 52.930 53.050 0.036 0.000 0.851 167 N CB 0.315 38.842 38.487 0.066 0.000 0.990 167 N HN -0.001 nan 8.380 nan 0.000 0.497 168 L N 0.547 121.796 121.223 0.043 0.000 2.417 168 L HA 0.382 4.725 4.340 0.004 0.000 0.268 168 L C -0.856 175.985 176.870 -0.049 0.000 1.158 168 L CA 0.104 54.993 54.840 0.082 0.000 0.819 168 L CB 0.250 42.393 42.059 0.140 0.000 1.112 168 L HN -0.084 nan 8.230 nan 0.000 0.458 169 F N 2.430 122.297 119.950 -0.139 0.000 2.467 169 F HA 0.377 4.906 4.527 0.002 0.000 0.336 169 F C 0.310 176.076 175.800 -0.057 0.000 1.123 169 F CA -0.372 57.504 58.000 -0.207 0.000 0.964 169 F CB 1.885 40.568 39.000 -0.528 0.000 1.136 169 F HN 0.378 nan 8.300 nan 0.000 0.447 170 S N 3.586 119.371 115.700 0.141 0.000 2.410 170 S HA 0.645 5.117 4.470 0.004 0.000 0.304 170 S C -0.931 173.768 174.600 0.166 0.000 1.095 170 S CA -0.488 57.808 58.200 0.160 0.000 1.089 170 S CB 0.150 63.450 63.200 0.167 0.000 0.968 170 S HN 0.357 nan 8.310 nan 0.000 0.480 171 V N 5.492 125.483 119.914 0.129 0.000 2.398 171 V HA 0.377 4.500 4.120 0.004 0.000 0.286 171 V C 0.475 176.600 176.094 0.051 0.000 1.026 171 V CA -0.768 61.579 62.300 0.078 0.000 0.868 171 V CB 1.697 33.574 31.823 0.090 0.000 0.982 171 V HN 0.847 nan 8.190 nan 0.000 0.443 172 T N 6.769 121.328 114.554 0.009 0.000 2.814 172 T HA 0.389 4.742 4.350 0.004 0.000 0.297 172 T C 0.149 174.813 174.700 -0.061 0.000 0.956 172 T CA 0.033 62.118 62.100 -0.025 0.000 1.123 172 T CB 0.107 68.932 68.868 -0.072 0.000 0.902 172 T HN 0.401 nan 8.240 nan 0.000 0.528 173 L N 4.622 125.824 121.223 -0.036 0.000 2.494 173 L HA 0.364 4.706 4.340 0.004 0.000 0.251 173 L C 1.890 178.727 176.870 -0.055 0.000 1.119 173 L CA -0.616 54.209 54.840 -0.025 0.000 1.026 173 L CB 0.124 42.193 42.059 0.017 0.000 1.370 173 L HN 0.680 nan 8.230 nan 0.000 0.426 174 R N 1.106 121.537 120.500 -0.115 0.000 2.249 174 R HA -0.248 4.095 4.340 0.004 0.000 0.229 174 R C 0.942 177.120 176.300 -0.204 0.000 1.104 174 R CA 2.680 58.673 56.100 -0.178 0.000 0.876 174 R CB 0.089 30.277 30.300 -0.186 0.000 0.871 174 R HN 0.562 nan 8.270 nan 0.000 0.426 175 D N -0.761 119.617 120.400 -0.037 0.000 2.378 175 D HA -0.049 4.593 4.640 0.004 0.000 0.222 175 D C 1.076 177.494 176.300 0.197 0.000 0.980 175 D CA 1.086 55.156 54.000 0.116 0.000 0.907 175 D CB 0.076 41.001 40.800 0.207 0.000 0.899 175 D HN 0.447 nan 8.370 nan 0.000 0.527 176 A N -0.297 122.583 122.820 0.100 0.000 2.195 176 A HA 0.449 4.771 4.320 0.004 0.000 0.210 176 A C 1.704 179.364 177.584 0.127 0.000 1.165 176 A CA 0.630 52.739 52.037 0.120 0.000 0.806 176 A CB -0.140 18.909 19.000 0.082 0.000 0.847 176 A HN 0.173 nan 8.150 nan 0.000 0.482 177 G N -0.446 108.405 108.800 0.084 0.000 2.295 177 G HA2 -0.216 3.746 3.960 0.004 0.000 0.287 177 G HA3 -0.216 3.746 3.960 0.004 0.000 0.287 177 G C -0.175 174.769 174.900 0.073 0.000 1.055 177 G CA 0.655 45.814 45.100 0.099 0.000 0.922 177 G HN 0.692 nan 8.290 nan 0.000 0.503 178 Q N -1.394 118.433 119.800 0.043 0.000 2.565 178 Q HA 0.760 5.102 4.340 0.004 0.000 0.294 178 Q C 0.002 176.026 176.000 0.039 0.000 1.005 178 Q CA -0.933 54.900 55.803 0.050 0.000 0.771 178 Q CB 2.284 31.056 28.738 0.056 0.000 1.486 178 Q HN 0.760 nan 8.270 nan 0.000 0.422 179 I N -2.402 118.201 120.570 0.054 0.000 2.730 179 I HA 0.956 5.128 4.170 0.004 0.000 0.298 179 I C -1.242 174.919 176.117 0.074 0.000 1.089 179 I CA -1.104 60.233 61.300 0.062 0.000 1.041 179 I CB 2.193 40.238 38.000 0.075 0.000 1.235 179 I HN 0.580 nan 8.210 nan 0.000 0.423 180 A N 6.248 129.115 122.820 0.079 0.000 2.342 180 A HA 0.801 5.123 4.320 0.004 0.000 0.323 180 A C -0.822 176.824 177.584 0.103 0.000 1.125 180 A CA -0.671 51.417 52.037 0.085 0.000 0.785 180 A CB 1.192 20.238 19.000 0.077 0.000 1.221 180 A HN 0.765 nan 8.150 nan 0.000 0.463 181 L N 3.539 124.821 121.223 0.097 0.000 2.265 181 L HA 0.496 4.839 4.340 0.004 0.000 0.289 181 L C -0.744 176.147 176.870 0.035 0.000 1.033 181 L CA -0.054 54.846 54.840 0.100 0.000 0.814 181 L CB 0.795 42.945 42.059 0.151 0.000 1.203 181 L HN 0.568 nan 8.230 nan 0.000 0.423 182 I N 2.181 122.806 120.570 0.091 0.000 2.509 182 I HA 0.231 4.403 4.170 0.004 0.000 0.293 182 I C -0.073 176.113 176.117 0.115 0.000 1.020 182 I CA -0.706 60.657 61.300 0.105 0.000 1.088 182 I CB 2.357 40.507 38.000 0.250 0.000 1.267 182 I HN 0.516 nan 8.210 nan 0.000 0.430 183 D N 4.522 124.936 120.400 0.024 0.000 2.401 183 D HA 0.020 4.663 4.640 0.004 0.000 0.254 183 D C 1.155 177.543 176.300 0.147 0.000 1.192 183 D CA 0.295 54.294 54.000 -0.002 0.000 0.885 183 D CB 1.782 42.500 40.800 -0.137 0.000 1.147 183 D HN 0.828 nan 8.370 nan 0.000 0.478 184 G N 2.396 111.320 108.800 0.205 0.000 2.559 184 G HA2 -0.195 3.768 3.960 0.004 0.000 0.216 184 G HA3 -0.195 3.768 3.960 0.004 0.000 0.216 184 G C 1.297 176.299 174.900 0.169 0.000 1.126 184 G CA 0.948 46.256 45.100 0.346 0.000 0.778 184 G HN 0.532 nan 8.290 nan 0.000 0.543 185 S N -0.842 114.786 115.700 -0.120 0.000 2.564 185 S HA -0.006 4.467 4.470 0.004 0.000 0.231 185 S C 2.060 176.172 174.600 -0.813 0.000 1.067 185 S CA 1.063 59.051 58.200 -0.353 0.000 0.908 185 S CB 0.014 63.118 63.200 -0.160 0.000 0.809 185 S HN 0.352 nan 8.310 nan 0.000 0.491 186 T N -2.546 111.634 114.554 -0.624 0.000 3.037 186 T HA 0.183 4.536 4.350 0.004 0.000 0.251 186 T C 0.339 174.692 174.700 -0.579 0.000 1.079 186 T CA 0.253 62.007 62.100 -0.577 0.000 1.067 186 T CB -0.715 67.990 68.868 -0.272 0.000 0.948 186 T HN 0.333 nan 8.240 nan 0.000 0.496 187 Y N 1.600 121.835 120.300 -0.109 0.000 4.668 187 Y HA -0.208 4.341 4.550 -0.001 0.000 0.234 187 Y C 0.232 176.083 175.900 -0.082 0.000 1.056 187 Y CA -0.087 57.932 58.100 -0.134 0.000 2.025 187 Y CB -2.944 35.256 38.460 -0.433 0.000 1.613 187 Y HN 0.707 nan 8.280 nan 0.000 0.653 188 E N 1.147 121.344 120.200 -0.006 0.000 2.266 188 E HA 0.525 4.877 4.350 0.004 0.000 0.277 188 E C -0.052 176.528 176.600 -0.033 0.000 1.018 188 E CA -0.860 55.528 56.400 -0.021 0.000 0.840 188 E CB 1.675 31.332 29.700 -0.071 0.000 1.082 188 E HN 0.416 nan 8.360 nan 0.000 0.395 189 I N 3.928 124.492 120.570 -0.011 0.000 2.494 189 I HA -0.053 4.119 4.170 0.004 0.000 0.289 189 I C 1.257 177.323 176.117 -0.084 0.000 1.106 189 I CA -0.277 61.014 61.300 -0.016 0.000 1.369 189 I CB 0.420 38.431 38.000 0.019 0.000 1.410 189 I HN 0.431 nan 8.210 nan 0.000 0.523 190 K N 3.238 123.524 120.400 -0.189 0.000 2.116 190 K HA 0.062 4.385 4.320 0.004 0.000 0.203 190 K C 0.808 177.349 176.600 -0.098 0.000 1.052 190 K CA 0.745 56.823 56.287 -0.348 0.000 0.952 190 K CB 0.023 31.924 32.500 -0.998 0.000 0.729 190 K HN 0.670 nan 8.250 nan 0.000 0.446 191 T N -0.756 113.795 114.554 -0.005 0.000 2.827 191 T HA 0.354 4.707 4.350 0.004 0.000 0.328 191 T C -1.968 172.786 174.700 0.089 0.000 1.598 191 T CA -0.669 61.491 62.100 0.100 0.000 1.043 191 T CB 1.419 70.425 68.868 0.229 0.000 1.447 191 T HN -0.241 nan 8.240 nan 0.000 0.491 192 V N 4.560 124.526 119.914 0.086 0.000 2.444 192 V HA 0.599 4.722 4.120 0.004 0.000 0.294 192 V C -0.451 175.690 176.094 0.078 0.000 1.022 192 V CA -0.657 61.689 62.300 0.076 0.000 0.850 192 V CB 1.328 33.188 31.823 0.062 0.000 0.992 192 V HN 0.758 nan 8.190 nan 0.000 0.426 193 L N 3.735 125.006 121.223 0.079 0.000 2.334 193 L HA 0.600 4.943 4.340 0.004 0.000 0.276 193 L C -0.149 176.759 176.870 0.064 0.000 1.014 193 L CA -0.634 54.249 54.840 0.073 0.000 0.815 193 L CB 1.880 43.987 42.059 0.080 0.000 1.268 193 L HN 0.509 nan 8.230 nan 0.000 0.428 194 D N 1.591 122.025 120.400 0.058 0.000 2.308 194 D HA 0.337 4.979 4.640 0.004 0.000 0.251 194 D C 0.046 176.385 176.300 0.065 0.000 1.127 194 D CA 0.282 54.319 54.000 0.061 0.000 0.876 194 D CB 1.954 42.788 40.800 0.055 0.000 1.176 194 D HN 0.696 nan 8.370 nan 0.000 0.446 195 T N -1.300 113.298 114.554 0.072 0.000 2.550 195 T HA 0.573 4.926 4.350 0.004 0.000 0.256 195 T C 0.579 175.332 174.700 0.090 0.000 0.866 195 T CA -0.854 61.291 62.100 0.075 0.000 1.163 195 T CB 0.646 69.552 68.868 0.065 0.000 1.460 195 T HN 0.220 nan 8.240 nan 0.000 0.498 196 G N -0.551 108.302 108.800 0.087 0.000 2.572 196 G HA2 0.442 4.404 3.960 0.004 0.000 0.261 196 G HA3 0.442 4.404 3.960 0.004 0.000 0.261 196 G C -1.073 173.906 174.900 0.131 0.000 1.197 196 G CA -0.594 44.572 45.100 0.110 0.000 0.870 196 G HN 0.691 nan 8.290 nan 0.000 0.548 197 Y N 1.099 121.430 120.300 0.052 0.000 2.511 197 Y HA 0.319 4.872 4.550 0.005 0.000 0.332 197 Y C 0.883 176.821 175.900 0.063 0.000 1.177 197 Y CA 0.204 58.338 58.100 0.057 0.000 1.422 197 Y CB 0.513 39.008 38.460 0.058 0.000 1.271 197 Y HN 1.290 nan 8.280 nan 0.000 0.550 198 A N 4.126 126.478 122.820 -0.780 0.000 2.312 198 A HA -0.171 4.151 4.320 0.004 0.000 0.286 198 A C 0.051 177.525 177.584 -0.184 0.000 1.425 198 A CA 0.629 52.320 52.037 -0.576 0.000 0.748 198 A CB -2.482 16.081 19.000 -0.728 0.000 1.126 198 A HN 0.699 nan 8.150 nan 0.000 0.368 199 V N 1.698 121.549 119.914 -0.106 0.000 2.720 199 V HA -0.059 4.063 4.120 0.004 0.000 0.307 199 V C 1.738 177.832 176.094 0.000 0.000 1.071 199 V CA 1.536 63.828 62.300 -0.014 0.000 1.199 199 V CB 0.692 32.517 31.823 0.003 0.000 0.900 199 V HN 0.863 nan 8.190 nan 0.000 0.494 200 H N 4.305 123.354 119.070 -0.035 0.000 2.418 200 H HA 0.373 4.932 4.556 0.005 0.000 0.300 200 H C 0.481 175.835 175.328 0.044 0.000 1.041 200 H CA 1.365 57.407 56.048 -0.011 0.000 1.364 200 H CB 0.437 30.183 29.762 -0.027 0.000 1.439 200 H HN 0.665 nan 8.280 nan 0.000 0.540 201 I N -3.262 117.347 120.570 0.063 0.000 3.102 201 I HA 0.524 4.696 4.170 0.004 0.000 0.310 201 I C -1.072 174.938 176.117 -0.178 0.000 1.246 201 I CA -1.074 60.179 61.300 -0.078 0.000 0.979 201 I CB 2.678 40.548 38.000 -0.215 0.000 1.267 201 I HN -0.253 nan 8.210 nan 0.000 0.451 202 S N 2.092 117.508 115.700 -0.475 0.000 2.482 202 S HA 0.722 5.195 4.470 0.004 0.000 0.303 202 S C -0.713 173.625 174.600 -0.437 0.000 1.091 202 S CA -0.766 57.275 58.200 -0.266 0.000 1.057 202 S CB 1.389 64.577 63.200 -0.019 0.000 1.031 202 S HN 0.443 nan 8.310 nan 0.000 0.485 203 R N 1.797 122.206 120.500 -0.152 0.000 2.725 203 R HA 0.551 4.894 4.340 0.004 0.000 0.277 203 R C -1.475 174.875 176.300 0.083 0.000 0.987 203 R CA -0.796 55.240 56.100 -0.106 0.000 0.901 203 R CB 1.262 31.486 30.300 -0.127 0.000 1.207 203 R HN 0.429 nan 8.270 nan 0.000 0.463 204 L N 1.342 122.606 121.223 0.069 0.000 2.334 204 L HA 0.424 4.767 4.340 0.004 0.000 0.273 204 L C 0.843 177.801 176.870 0.148 0.000 1.013 204 L CA -0.458 54.466 54.840 0.139 0.000 0.816 204 L CB 1.827 43.925 42.059 0.066 0.000 1.278 204 L HN 0.790 nan 8.230 nan 0.000 0.431 205 S N 1.012 116.859 115.700 0.244 0.000 2.584 205 S HA 0.254 4.727 4.470 0.004 0.000 0.270 205 S C 1.252 175.891 174.600 0.066 0.000 1.346 205 S CA 0.089 58.406 58.200 0.194 0.000 1.018 205 S CB 1.074 64.464 63.200 0.317 0.000 0.899 205 S HN 0.712 nan 8.310 nan 0.000 0.542 206 A N 1.590 124.425 122.820 0.025 0.000 2.076 206 A HA -0.042 4.280 4.320 0.004 0.000 0.220 206 A C 2.340 179.917 177.584 -0.011 0.000 1.160 206 A CA 1.708 53.735 52.037 -0.016 0.000 0.653 206 A CB -1.369 17.611 19.000 -0.033 0.000 0.801 206 A HN 1.311 nan 8.150 nan 0.000 0.455 207 S N -2.334 113.361 115.700 -0.007 0.000 2.496 207 S HA 0.354 4.826 4.470 0.004 0.000 0.224 207 S C 1.532 176.128 174.600 -0.006 0.000 0.996 207 S CA 1.110 59.299 58.200 -0.018 0.000 0.927 207 S CB -0.229 62.925 63.200 -0.076 0.000 0.774 207 S HN 1.879 nan 8.310 nan 0.000 0.524 208 G N 1.795 110.588 108.800 -0.012 0.000 2.176 208 G HA2 -0.342 3.620 3.960 0.004 0.000 0.253 208 G HA3 -0.342 3.620 3.960 0.004 0.000 0.253 208 G C 0.827 175.692 174.900 -0.058 0.000 0.979 208 G CA 0.450 45.558 45.100 0.013 0.000 0.641 208 G HN 0.603 nan 8.290 nan 0.000 0.530 209 R N -0.912 119.427 120.500 -0.267 0.000 2.080 209 R HA 0.221 4.564 4.340 0.004 0.000 0.222 209 R C 0.285 176.202 176.300 -0.638 0.000 1.107 209 R CA 0.653 56.340 56.100 -0.687 0.000 0.980 209 R CB 0.023 29.475 30.300 -1.413 0.000 0.879 209 R HN 0.337 nan 8.270 nan 0.000 0.439 210 Y N 0.733 120.907 120.300 -0.210 0.000 2.330 210 Y HA 0.330 4.883 4.550 0.005 0.000 0.336 210 Y C -0.459 175.319 175.900 -0.203 0.000 1.036 210 Y CA -1.196 56.747 58.100 -0.261 0.000 1.125 210 Y CB 1.564 39.830 38.460 -0.322 0.000 1.194 210 Y HN 0.008 nan 8.280 nan 0.000 0.469 211 L N 4.792 125.949 121.223 -0.110 0.000 2.296 211 L HA 0.630 4.972 4.340 0.004 0.000 0.286 211 L C -1.746 174.989 176.870 -0.225 0.000 1.023 211 L CA -0.601 54.209 54.840 -0.050 0.000 0.812 211 L CB 0.106 42.170 42.059 0.009 0.000 1.223 211 L HN 0.369 nan 8.230 nan 0.000 0.421 212 F N 5.036 124.993 119.950 0.011 0.000 2.482 212 F HA 0.700 5.229 4.527 0.004 0.000 0.331 212 F C 0.001 175.781 175.800 -0.033 0.000 1.115 212 F CA -0.693 57.299 58.000 -0.013 0.000 0.955 212 F CB 2.070 41.044 39.000 -0.043 0.000 1.136 212 F HN 0.398 nan 8.300 nan 0.000 0.452 213 V N 2.152 122.150 119.914 0.140 0.000 2.876 213 V HA 0.706 4.828 4.120 0.004 0.000 0.312 213 V C -1.193 174.942 176.094 0.068 0.000 1.085 213 V CA -0.901 61.444 62.300 0.075 0.000 0.945 213 V CB 2.072 33.930 31.823 0.058 0.000 1.017 213 V HN 0.783 nan 8.190 nan 0.000 0.428 214 I N 2.873 123.465 120.570 0.037 0.000 2.447 214 I HA 0.814 4.987 4.170 0.004 0.000 0.287 214 I C 0.587 176.721 176.117 0.028 0.000 1.023 214 I CA -0.300 61.014 61.300 0.024 0.000 1.083 214 I CB 1.399 39.391 38.000 -0.013 0.000 1.245 214 I HN 1.037 nan 8.210 nan 0.000 0.434 215 G N 5.697 114.515 108.800 0.031 0.000 2.507 215 G HA2 0.235 4.197 3.960 0.004 0.000 0.271 215 G HA3 0.235 4.197 3.960 0.004 0.000 0.271 215 G C 0.723 175.637 174.900 0.023 0.000 1.189 215 G CA -0.718 44.405 45.100 0.039 0.000 0.859 215 G HN 0.849 nan 8.290 nan 0.000 0.542 216 R N 0.011 120.534 120.500 0.039 0.000 2.341 216 R HA -0.064 4.278 4.340 0.004 0.000 0.213 216 R C 0.534 176.842 176.300 0.014 0.000 1.082 216 R CA 1.400 57.501 56.100 0.001 0.000 1.017 216 R CB -0.079 30.248 30.300 0.045 0.000 0.860 216 R HN 0.512 nan 8.270 nan 0.000 0.473 217 D N -0.237 120.195 120.400 0.054 0.000 2.340 217 D HA 0.080 4.723 4.640 0.004 0.000 0.220 217 D C 1.169 177.450 176.300 -0.032 0.000 1.039 217 D CA 0.566 54.589 54.000 0.038 0.000 0.866 217 D CB 0.261 41.111 40.800 0.083 0.000 0.913 217 D HN 0.369 nan 8.370 nan 0.000 0.523 218 G N -0.031 108.739 108.800 -0.050 0.000 2.175 218 G HA2 -0.262 3.700 3.960 0.004 0.000 0.244 218 G HA3 -0.262 3.700 3.960 0.004 0.000 0.244 218 G C 0.224 175.090 174.900 -0.057 0.000 0.982 218 G CA -0.139 44.904 45.100 -0.094 0.000 0.641 218 G HN 0.317 nan 8.290 nan 0.000 0.527 219 K N 0.881 121.278 120.400 -0.006 0.000 2.339 219 K HA 0.554 4.876 4.320 0.004 0.000 0.286 219 K C 0.051 176.678 176.600 0.046 0.000 1.050 219 K CA -0.142 56.166 56.287 0.034 0.000 0.956 219 K CB 1.352 33.889 32.500 0.062 0.000 0.990 219 K HN 0.146 nan 8.250 nan 0.000 0.475 220 V N 4.923 124.875 119.914 0.064 0.000 2.448 220 V HA 0.326 4.449 4.120 0.004 0.000 0.295 220 V C 0.052 176.206 176.094 0.100 0.000 1.025 220 V CA -0.928 61.422 62.300 0.082 0.000 0.859 220 V CB 1.626 33.501 31.823 0.086 0.000 0.988 220 V HN 0.669 nan 8.190 nan 0.000 0.431 221 N N 4.563 123.319 118.700 0.092 0.000 2.342 221 N HA 0.542 5.285 4.740 0.004 0.000 0.293 221 N C -1.008 174.506 175.510 0.007 0.000 1.026 221 N CA -0.534 52.556 53.050 0.068 0.000 0.857 221 N CB 2.487 41.014 38.487 0.066 0.000 1.256 221 N HN 0.611 nan 8.380 nan 0.000 0.484 222 M N 3.803 123.363 119.600 -0.066 0.000 2.167 222 M HA 0.476 4.958 4.480 0.004 0.000 0.333 222 M C -1.594 174.595 176.300 -0.185 0.000 1.030 222 M CA -0.521 54.590 55.300 -0.315 0.000 0.963 222 M CB 0.805 33.181 32.600 -0.373 0.000 1.589 222 M HN 0.445 nan 8.290 nan 0.000 0.431 223 I N 3.844 124.304 120.570 -0.182 0.000 2.433 223 I HA 0.274 4.447 4.170 0.004 0.000 0.292 223 I C -0.632 175.501 176.117 0.026 0.000 1.001 223 I CA -0.589 60.688 61.300 -0.038 0.000 1.119 223 I CB 1.797 39.794 38.000 -0.004 0.000 1.289 223 I HN 0.567 nan 8.210 nan 0.000 0.438 224 D N 6.540 126.981 120.400 0.069 0.000 2.380 224 D HA 0.235 4.877 4.640 0.004 0.000 0.230 224 D C 0.621 176.892 176.300 -0.047 0.000 1.154 224 D CA -0.046 53.974 54.000 0.033 0.000 0.859 224 D CB 1.129 41.992 40.800 0.105 0.000 1.045 224 D HN 0.436 nan 8.370 nan 0.000 0.495 225 L N 2.887 124.048 121.223 -0.104 0.000 2.610 225 L HA 0.045 4.388 4.340 0.004 0.000 0.232 225 L C 1.086 178.010 176.870 0.089 0.000 1.149 225 L CA -0.025 54.806 54.840 -0.015 0.000 0.872 225 L CB 0.038 42.122 42.059 0.042 0.000 0.992 225 L HN 0.475 nan 8.230 nan 0.000 0.447 226 W N -0.324 120.835 121.300 -0.234 0.000 2.942 226 W HA 0.178 4.840 4.660 0.004 0.000 0.263 226 W C 1.132 177.519 176.519 -0.219 0.000 1.296 226 W CA -0.831 56.379 57.345 -0.225 0.000 1.504 226 W CB -0.221 29.116 29.460 -0.204 0.000 1.096 226 W HN -0.004 nan 8.180 nan 0.000 0.639 227 M N 0.763 120.370 119.600 0.012 0.000 2.232 227 M HA -0.018 4.464 4.480 0.004 0.000 0.321 227 M C 1.874 178.069 176.300 -0.174 0.000 1.101 227 M CA 0.218 55.485 55.300 -0.055 0.000 1.181 227 M CB 0.547 33.126 32.600 -0.035 0.000 1.432 227 M HN -0.320 nan 8.290 nan 0.000 0.457 228 K N 1.376 121.692 120.400 -0.140 0.000 2.044 228 K HA -0.107 4.216 4.320 0.004 0.000 0.210 228 K C -0.117 176.360 176.600 -0.204 0.000 1.049 228 K CA 1.685 57.873 56.287 -0.166 0.000 0.927 228 K CB 0.239 32.689 32.500 -0.082 0.000 0.713 228 K HN 0.591 nan 8.250 nan 0.000 0.443 229 E N 0.601 120.727 120.200 -0.123 0.000 2.331 229 E HA 0.234 4.587 4.350 0.004 0.000 0.243 229 E C -2.550 174.012 176.600 -0.063 0.000 0.925 229 E CA -2.296 54.063 56.400 -0.068 0.000 0.760 229 E CB 1.665 31.376 29.700 0.019 0.000 1.254 229 E HN 0.059 nan 8.360 nan 0.000 0.419 230 P HA -0.074 nan 4.420 nan 0.000 0.263 230 P C -0.439 176.878 177.300 0.029 0.000 1.175 230 P CA 0.458 63.531 63.100 -0.045 0.000 0.761 230 P CB 0.802 32.483 31.700 -0.032 0.000 0.794 231 T N 1.037 115.607 114.554 0.028 0.000 2.769 231 T HA 0.306 4.659 4.350 0.004 0.000 0.306 231 T C -0.942 173.782 174.700 0.041 0.000 1.400 231 T CA -0.518 61.603 62.100 0.035 0.000 1.007 231 T CB 0.636 69.514 68.868 0.018 0.000 1.392 231 T HN 0.119 nan 8.240 nan 0.000 0.500 232 T N 2.474 117.056 114.554 0.047 0.000 2.761 232 T HA 0.222 4.575 4.350 0.004 0.000 0.287 232 T C 1.682 176.469 174.700 0.146 0.000 0.931 232 T CA 0.283 62.433 62.100 0.084 0.000 1.164 232 T CB 0.236 69.170 68.868 0.110 0.000 0.876 232 T HN 0.616 nan 8.240 nan 0.000 0.534 233 V N 1.099 121.072 119.914 0.098 0.000 3.354 233 V HA 0.678 4.800 4.120 0.004 0.000 0.258 233 V C 0.663 176.780 176.094 0.038 0.000 1.159 233 V CA 0.418 62.774 62.300 0.094 0.000 1.125 233 V CB -0.696 31.154 31.823 0.046 0.000 0.774 233 V HN 0.901 nan 8.190 nan 0.000 0.464 234 A N 0.714 123.542 122.820 0.013 0.000 2.605 234 A HA 0.769 5.091 4.320 0.004 0.000 0.294 234 A C -0.919 176.674 177.584 0.015 0.000 1.062 234 A CA -0.247 51.751 52.037 -0.066 0.000 0.682 234 A CB 1.475 20.476 19.000 0.001 0.000 1.278 234 A HN 0.668 nan 8.150 nan 0.000 0.410 235 E N 0.762 120.973 120.200 0.017 0.000 2.413 235 E HA 0.853 5.206 4.350 0.004 0.000 0.277 235 E C -1.365 175.349 176.600 0.189 0.000 0.958 235 E CA -0.731 55.733 56.400 0.107 0.000 0.779 235 E CB 2.166 31.938 29.700 0.121 0.000 1.278 235 E HN 0.964 nan 8.360 nan 0.000 0.456 236 I N 0.022 120.700 120.570 0.180 0.000 3.021 236 I HA 0.395 4.568 4.170 0.004 0.000 0.305 236 I C -2.081 174.124 176.117 0.145 0.000 1.434 236 I CA -0.792 60.630 61.300 0.204 0.000 0.969 236 I CB 2.318 40.426 38.000 0.181 0.000 1.328 236 I HN 0.657 nan 8.210 nan 0.000 0.486 237 K N 4.742 125.247 120.400 0.175 0.000 2.292 237 K HA 0.495 4.818 4.320 0.004 0.000 0.257 237 K C -0.163 176.514 176.600 0.128 0.000 0.940 237 K CA -0.539 55.809 56.287 0.102 0.000 0.811 237 K CB 1.454 34.024 32.500 0.117 0.000 1.120 237 K HN 0.581 nan 8.250 nan 0.000 0.428 238 I N -0.053 120.493 120.570 -0.040 0.000 4.082 238 I HA 0.470 4.642 4.170 0.004 0.000 0.337 238 I C 0.366 176.372 176.117 -0.185 0.000 1.352 238 I CA -0.159 61.134 61.300 -0.012 0.000 1.097 238 I CB 1.071 39.057 38.000 -0.023 0.000 1.048 238 I HN 0.664 nan 8.210 nan 0.000 0.393 239 G N -0.210 108.239 108.800 -0.584 0.000 2.335 239 G HA2 0.274 4.236 3.960 0.004 0.000 0.291 239 G HA3 0.274 4.236 3.960 0.004 0.000 0.291 239 G C -0.311 174.260 174.900 -0.548 0.000 1.261 239 G CA 0.138 44.867 45.100 -0.618 0.000 0.871 239 G HN -0.142 nan 8.290 nan 0.000 0.491 240 S N -0.371 115.201 115.700 -0.213 0.000 2.460 240 S HA 0.306 4.779 4.470 0.004 0.000 0.226 240 S C 0.219 174.819 174.600 0.000 0.000 1.057 240 S CA 0.684 58.849 58.200 -0.058 0.000 0.948 240 S CB 0.161 63.443 63.200 0.136 0.000 0.822 240 S HN 0.440 nan 8.310 nan 0.000 0.512 241 E N 0.337 120.565 120.200 0.047 0.000 2.263 241 E HA 0.728 5.080 4.350 0.004 0.000 0.268 241 E C -1.058 175.511 176.600 -0.052 0.000 0.884 241 E CA -0.297 56.126 56.400 0.039 0.000 0.766 241 E CB 2.101 31.902 29.700 0.169 0.000 1.196 241 E HN 0.258 nan 8.360 nan 0.000 0.416 242 A N 2.537 125.249 122.820 -0.181 0.000 2.594 242 A HA 0.748 5.071 4.320 0.004 0.000 0.291 242 A C -0.013 177.330 177.584 -0.401 0.000 1.105 242 A CA -0.499 51.378 52.037 -0.267 0.000 0.694 242 A CB 1.488 20.396 19.000 -0.153 0.000 1.291 242 A HN 0.442 nan 8.150 nan 0.000 0.410 243 R N -0.361 119.883 120.500 -0.427 0.000 2.635 243 R HA 0.198 4.541 4.340 0.004 0.000 0.241 243 R C 0.113 176.302 176.300 -0.185 0.000 0.941 243 R CA 1.057 56.908 56.100 -0.415 0.000 1.014 243 R CB 0.256 30.178 30.300 -0.630 0.000 1.517 243 R HN 0.879 nan 8.270 nan 0.000 0.594 244 S N 0.165 115.769 115.700 -0.161 0.000 2.568 244 S HA 0.785 5.257 4.470 0.004 0.000 0.293 244 S C -0.331 174.182 174.600 -0.144 0.000 1.089 244 S CA -0.719 57.407 58.200 -0.123 0.000 0.945 244 S CB 2.522 65.653 63.200 -0.115 0.000 1.077 244 S HN 0.160 nan 8.310 nan 0.000 0.485 245 I N 0.539 121.011 120.570 -0.164 0.000 2.842 245 I HA 0.727 4.900 4.170 0.004 0.000 0.297 245 I C -1.980 173.983 176.117 -0.256 0.000 1.380 245 I CA -0.249 60.921 61.300 -0.217 0.000 1.018 245 I CB 2.214 40.118 38.000 -0.159 0.000 1.311 245 I HN 0.900 nan 8.210 nan 0.000 0.439 246 E N 3.110 123.095 120.200 -0.359 0.000 2.430 246 E HA 0.597 4.949 4.350 0.004 0.000 0.279 246 E C -1.482 174.895 176.600 -0.371 0.000 1.003 246 E CA -0.395 55.821 56.400 -0.308 0.000 0.801 246 E CB 2.053 31.615 29.700 -0.230 0.000 1.313 246 E HN 0.628 nan 8.360 nan 0.000 0.459 247 T N -0.867 113.577 114.554 -0.184 0.000 2.950 247 T HA 0.665 5.017 4.350 0.004 0.000 0.288 247 T C -0.211 174.590 174.700 0.169 0.000 1.035 247 T CA -0.604 61.425 62.100 -0.117 0.000 1.028 247 T CB 1.106 69.874 68.868 -0.167 0.000 1.109 247 T HN 0.523 nan 8.240 nan 0.000 0.514 248 S N 0.689 116.447 115.700 0.098 0.000 2.510 248 S HA 0.304 4.777 4.470 0.004 0.000 0.279 248 S C 0.242 174.800 174.600 -0.071 0.000 1.284 248 S CA -0.777 57.340 58.200 -0.137 0.000 1.059 248 S CB 0.472 63.413 63.200 -0.432 0.000 0.901 248 S HN 0.820 nan 8.310 nan 0.000 0.491 249 K N 0.825 121.156 120.400 -0.116 0.000 2.447 249 K HA 0.221 4.544 4.320 0.004 0.000 0.205 249 K C -0.085 176.379 176.600 -0.227 0.000 1.059 249 K CA -0.366 55.792 56.287 -0.215 0.000 1.065 249 K CB 0.379 32.631 32.500 -0.413 0.000 0.885 249 K HN 0.595 nan 8.250 nan 0.000 0.545 250 M N 2.505 122.070 119.600 -0.059 0.000 2.219 250 M HA 0.045 4.527 4.480 0.004 0.000 0.353 250 M C -0.014 176.356 176.300 0.117 0.000 1.304 250 M CA -0.147 55.154 55.300 0.001 0.000 1.115 250 M CB 0.536 33.151 32.600 0.026 0.000 1.664 250 M HN 0.030 nan 8.290 nan 0.000 0.459 251 E N 3.351 123.581 120.200 0.050 0.000 2.558 251 E HA 0.258 4.610 4.350 0.004 0.000 0.255 251 E C 0.802 177.459 176.600 0.095 0.000 0.968 251 E CA 1.217 57.644 56.400 0.044 0.000 0.939 251 E CB -0.043 29.660 29.700 0.005 0.000 0.921 251 E HN 0.988 nan 8.360 nan 0.000 0.477 252 G N 3.924 112.728 108.800 0.006 0.000 2.195 252 G HA2 -0.241 3.721 3.960 0.004 0.000 0.224 252 G HA3 -0.241 3.721 3.960 0.004 0.000 0.224 252 G C -0.011 174.655 174.900 -0.389 0.000 0.990 252 G CA 0.145 45.151 45.100 -0.156 0.000 0.639 252 G HN 0.647 nan 8.290 nan 0.000 0.514 253 W N 1.662 122.948 121.300 -0.023 0.000 2.599 253 W HA 0.625 5.287 4.660 0.004 0.000 0.396 253 W C 0.319 176.782 176.519 -0.093 0.000 0.944 253 W CA -0.648 56.678 57.345 -0.031 0.000 2.042 253 W CB 0.546 30.057 29.460 0.084 0.000 1.184 253 W HN 0.127 nan 8.180 nan 0.000 0.604 254 E N 1.249 121.464 120.200 0.026 0.000 2.417 254 E HA -0.017 4.336 4.350 0.004 0.000 0.261 254 E C 0.646 177.234 176.600 -0.020 0.000 1.000 254 E CA 1.018 57.416 56.400 -0.002 0.000 0.919 254 E CB 0.112 29.799 29.700 -0.021 0.000 0.955 254 E HN 0.044 nan 8.360 nan 0.000 0.455 255 D N 2.001 122.405 120.400 0.006 0.000 3.046 255 D HA -0.213 4.430 4.640 0.004 0.000 0.210 255 D C 0.801 177.061 176.300 -0.067 0.000 1.124 255 D CA 0.837 54.852 54.000 0.025 0.000 0.986 255 D CB -0.235 40.596 40.800 0.052 0.000 1.118 255 D HN 0.420 nan 8.370 nan 0.000 0.416 256 K N -0.840 119.486 120.400 -0.123 0.000 2.031 256 K HA -0.023 4.299 4.320 0.004 0.000 0.205 256 K C 0.794 177.043 176.600 -0.584 0.000 1.049 256 K CA 1.248 57.335 56.287 -0.333 0.000 0.939 256 K CB 0.191 32.580 32.500 -0.184 0.000 0.717 256 K HN 0.297 nan 8.250 nan 0.000 0.438 257 Y N -1.535 118.705 120.300 -0.100 0.000 2.644 257 Y HA 0.528 5.081 4.550 0.004 0.000 0.338 257 Y C -0.661 175.160 175.900 -0.132 0.000 1.119 257 Y CA -1.450 56.584 58.100 -0.111 0.000 1.060 257 Y CB 1.889 40.258 38.460 -0.152 0.000 1.294 257 Y HN -0.060 nan 8.280 nan 0.000 0.472 258 A N 1.446 124.258 122.820 -0.013 0.000 2.498 258 A HA 0.851 5.174 4.320 0.004 0.000 0.298 258 A C -1.915 175.438 177.584 -0.384 0.000 1.075 258 A CA -0.719 51.102 52.037 -0.359 0.000 0.714 258 A CB 1.677 20.284 19.000 -0.655 0.000 1.299 258 A HN 0.749 nan 8.150 nan 0.000 0.407 259 I N 0.611 120.796 120.570 -0.642 0.000 2.686 259 I HA 0.768 4.940 4.170 0.004 0.000 0.295 259 I C -0.432 175.424 176.117 -0.435 0.000 1.114 259 I CA -0.696 60.233 61.300 -0.619 0.000 1.038 259 I CB 1.950 39.257 38.000 -1.154 0.000 1.238 259 I HN 0.949 nan 8.210 nan 0.000 0.420 260 A N 4.661 127.327 122.820 -0.256 0.000 2.401 260 A HA 0.897 5.220 4.320 0.004 0.000 0.310 260 A C -0.637 176.883 177.584 -0.106 0.000 1.075 260 A CA -0.427 51.503 52.037 -0.178 0.000 0.746 260 A CB 1.638 20.565 19.000 -0.123 0.000 1.277 260 A HN 0.858 nan 8.150 nan 0.000 0.425 261 G N -0.277 108.465 108.800 -0.096 0.000 2.482 261 G HA2 0.763 4.726 3.960 0.004 0.000 0.317 261 G HA3 0.763 4.726 3.960 0.004 0.000 0.317 261 G C -0.480 174.399 174.900 -0.035 0.000 1.241 261 G CA 0.096 45.177 45.100 -0.031 0.000 0.967 261 G HN 1.530 nan 8.290 nan 0.000 0.482 262 A N 0.662 123.486 122.820 0.007 0.000 2.384 262 A HA 0.705 5.027 4.320 0.004 0.000 0.312 262 A C -0.145 177.551 177.584 0.186 0.000 1.113 262 A CA -0.645 51.402 52.037 0.017 0.000 0.779 262 A CB 1.209 20.181 19.000 -0.047 0.000 1.307 262 A HN 0.629 nan 8.150 nan 0.000 0.436 263 Y N -0.424 119.884 120.300 0.014 0.000 2.347 263 Y HA 0.148 4.701 4.550 0.004 0.000 0.294 263 Y C 0.536 176.531 175.900 0.157 0.000 1.117 263 Y CA 0.158 58.308 58.100 0.083 0.000 1.184 263 Y CB 0.317 38.840 38.460 0.105 0.000 1.047 263 Y HN 0.659 nan 8.280 nan 0.000 0.546 264 W N 1.719 123.103 121.300 0.139 0.000 3.211 264 W HA 0.311 4.974 4.660 0.004 0.000 0.335 264 W C -3.201 173.317 176.519 -0.001 0.000 1.113 264 W CA -2.161 55.214 57.345 0.050 0.000 1.235 264 W CB 2.151 31.621 29.460 0.016 0.000 1.365 264 W HN -0.154 nan 8.180 nan 0.000 0.476 265 P HA 0.203 nan 4.420 nan 0.000 0.274 265 P C -2.562 174.332 177.300 -0.675 0.000 1.246 265 P CA -1.079 61.124 63.100 -1.495 0.000 0.795 265 P CB 0.308 31.440 31.700 -0.947 0.000 1.006 266 P HA 0.103 nan 4.420 nan 0.000 0.268 266 P C -0.789 176.400 177.300 -0.186 0.000 1.485 266 P CA 0.413 63.375 63.100 -0.229 0.000 1.102 266 P CB -0.332 31.279 31.700 -0.150 0.000 1.501 267 Q N 2.654 122.375 119.800 -0.132 0.000 2.633 267 Q HA 0.489 4.832 4.340 0.004 0.000 0.289 267 Q C -1.616 174.356 176.000 -0.047 0.000 0.940 267 Q CA -1.100 54.617 55.803 -0.143 0.000 0.785 267 Q CB 1.181 29.797 28.738 -0.205 0.000 1.467 267 Q HN 0.287 nan 8.270 nan 0.000 0.401 268 Y N -1.622 118.618 120.300 -0.101 0.000 2.536 268 Y HA 0.863 5.415 4.550 0.004 0.000 0.347 268 Y C -1.396 174.431 175.900 -0.123 0.000 1.000 268 Y CA -1.226 56.802 58.100 -0.120 0.000 1.051 268 Y CB 1.871 40.252 38.460 -0.131 0.000 1.259 268 Y HN 0.438 nan 8.280 nan 0.000 0.468 269 V N 4.221 124.160 119.914 0.042 0.000 2.638 269 V HA 0.413 4.536 4.120 0.004 0.000 0.306 269 V C -0.345 175.726 176.094 -0.039 0.000 1.052 269 V CA -0.954 61.318 62.300 -0.047 0.000 0.885 269 V CB 1.700 33.480 31.823 -0.071 0.000 0.999 269 V HN 0.789 nan 8.190 nan 0.000 0.424 270 I N 5.367 125.911 120.570 -0.043 0.000 2.331 270 I HA 0.505 4.677 4.170 0.004 0.000 0.292 270 I C -0.159 175.916 176.117 -0.070 0.000 0.998 270 I CA -0.053 61.200 61.300 -0.078 0.000 1.267 270 I CB 1.379 39.324 38.000 -0.092 0.000 1.386 270 I HN 0.494 nan 8.210 nan 0.000 0.476 271 M N 4.652 124.229 119.600 -0.037 0.000 2.602 271 M HA 0.322 4.805 4.480 0.004 0.000 0.312 271 M C -0.318 176.047 176.300 0.109 0.000 1.181 271 M CA -0.805 54.481 55.300 -0.023 0.000 0.910 271 M CB 1.941 34.491 32.600 -0.082 0.000 1.723 271 M HN 0.456 nan 8.290 nan 0.000 0.459 272 D N 1.083 121.512 120.400 0.049 0.000 2.458 272 D HA 0.004 4.647 4.640 0.004 0.000 0.243 272 D C 0.820 177.119 176.300 -0.001 0.000 1.146 272 D CA 0.422 54.439 54.000 0.029 0.000 0.877 272 D CB 1.349 42.138 40.800 -0.018 0.000 1.176 272 D HN 0.871 nan 8.370 nan 0.000 0.461 273 G N 3.229 111.990 108.800 -0.065 0.000 2.776 273 G HA2 -0.151 3.811 3.960 0.004 0.000 0.209 273 G HA3 -0.151 3.811 3.960 0.004 0.000 0.209 273 G C 1.165 176.030 174.900 -0.059 0.000 1.145 273 G CA 0.266 45.357 45.100 -0.015 0.000 0.791 273 G HN 0.615 nan 8.290 nan 0.000 0.530 274 E N -1.139 118.986 120.200 -0.124 0.000 2.421 274 E HA 0.011 4.363 4.350 0.004 0.000 0.209 274 E C 2.278 178.779 176.600 -0.164 0.000 0.871 274 E CA 0.894 57.146 56.400 -0.247 0.000 1.064 274 E CB 0.619 30.233 29.700 -0.143 0.000 1.075 274 E HN 0.454 nan 8.360 nan 0.000 0.513 275 T N -2.187 112.361 114.554 -0.009 0.000 2.975 275 T HA 0.236 4.589 4.350 0.004 0.000 0.257 275 T C 1.088 175.961 174.700 0.290 0.000 1.003 275 T CA -0.275 61.914 62.100 0.149 0.000 0.932 275 T CB 0.440 69.480 68.868 0.287 0.000 1.087 275 T HN 0.114 nan 8.240 nan 0.000 0.512 276 L N 0.296 121.590 121.223 0.118 0.000 4.759 276 L HA -0.154 4.189 4.340 0.004 0.000 0.419 276 L C 0.322 177.016 176.870 -0.293 0.000 1.093 276 L CA 0.489 55.357 54.840 0.047 0.000 1.037 276 L CB -1.693 40.466 42.059 0.167 0.000 2.095 276 L HN 0.569 nan 8.230 nan 0.000 0.739 277 E N 3.675 123.627 120.200 -0.414 0.000 2.480 277 E HA 0.067 4.420 4.350 0.004 0.000 0.258 277 E C -1.886 174.364 176.600 -0.583 0.000 0.984 277 E CA -1.306 54.483 56.400 -1.018 0.000 0.930 277 E CB 0.699 29.998 29.700 -0.667 0.000 0.936 277 E HN 0.082 nan 8.360 nan 0.000 0.466 278 P HA -0.001 nan 4.420 nan 0.000 0.271 278 P C -0.559 176.603 177.300 -0.230 0.000 1.233 278 P CA 0.000 62.910 63.100 -0.317 0.000 0.764 278 P CB 1.133 32.669 31.700 -0.275 0.000 0.825 279 K N 1.933 122.249 120.400 -0.139 0.000 2.329 279 K HA 0.137 4.460 4.320 0.004 0.000 0.198 279 K C 0.549 177.098 176.600 -0.084 0.000 1.085 279 K CA 0.702 56.938 56.287 -0.084 0.000 0.961 279 K CB 0.378 32.874 32.500 -0.006 0.000 0.971 279 K HN 0.304 nan 8.250 nan 0.000 0.502 280 K N 0.774 121.116 120.400 -0.098 0.000 2.535 280 K HA 0.426 4.748 4.320 0.004 0.000 0.251 280 K C -1.672 174.842 176.600 -0.143 0.000 0.942 280 K CA -0.163 56.061 56.287 -0.106 0.000 0.798 280 K CB 1.244 33.691 32.500 -0.088 0.000 1.267 280 K HN -0.113 nan 8.250 nan 0.000 0.434 281 I N 3.726 124.189 120.570 -0.179 0.000 2.436 281 I HA 0.410 4.582 4.170 0.004 0.000 0.289 281 I C -0.568 175.340 176.117 -0.348 0.000 1.010 281 I CA -0.881 60.269 61.300 -0.249 0.000 1.098 281 I CB 1.919 39.813 38.000 -0.176 0.000 1.266 281 I HN 0.331 nan 8.210 nan 0.000 0.434 282 Q N 3.957 123.383 119.800 -0.623 0.000 2.321 282 Q HA 0.368 4.710 4.340 0.004 0.000 0.270 282 Q C -0.676 175.007 176.000 -0.528 0.000 1.032 282 Q CA -0.489 54.927 55.803 -0.645 0.000 0.784 282 Q CB 2.636 30.783 28.738 -0.986 0.000 1.264 282 Q HN 0.681 nan 8.270 nan 0.000 0.448 283 S N 0.674 116.207 115.700 -0.277 0.000 2.565 283 S HA 0.226 4.699 4.470 0.004 0.000 0.276 283 S C 0.945 175.484 174.600 -0.102 0.000 1.326 283 S CA 0.058 58.153 58.200 -0.175 0.000 1.045 283 S CB 0.509 63.644 63.200 -0.108 0.000 0.918 283 S HN 0.657 nan 8.310 nan 0.000 0.505 284 T N 1.861 116.380 114.554 -0.058 0.000 3.069 284 T HA 0.305 4.658 4.350 0.004 0.000 0.252 284 T C 0.563 175.263 174.700 0.000 0.000 1.053 284 T CA -0.299 61.804 62.100 0.005 0.000 0.964 284 T CB -0.125 68.762 68.868 0.032 0.000 1.005 284 T HN 0.558 nan 8.240 nan 0.000 0.532 285 R N 1.181 121.683 120.500 0.004 0.000 2.585 285 R HA 0.524 4.866 4.340 0.004 0.000 0.275 285 R C 0.824 177.180 176.300 0.093 0.000 1.018 285 R CA 0.996 57.118 56.100 0.036 0.000 1.072 285 R CB 0.296 30.676 30.300 0.133 0.000 0.953 285 R HN 0.576 nan 8.270 nan 0.000 0.419 286 G N 1.451 110.273 108.800 0.036 0.000 2.335 286 G HA2 0.193 4.155 3.960 0.004 0.000 0.291 286 G HA3 0.193 4.155 3.960 0.004 0.000 0.291 286 G C -1.491 173.453 174.900 0.072 0.000 1.261 286 G CA -0.977 44.202 45.100 0.131 0.000 0.871 286 G HN 0.241 nan 8.290 nan 0.000 0.491 287 M N 2.046 121.708 119.600 0.104 0.000 2.216 287 M HA 0.361 4.844 4.480 0.004 0.000 0.356 287 M C 0.963 177.281 176.300 0.031 0.000 1.205 287 M CA -0.654 54.693 55.300 0.078 0.000 1.122 287 M CB 0.316 32.964 32.600 0.080 0.000 1.571 287 M HN 0.778 nan 8.290 nan 0.000 0.464 288 T N 0.225 114.784 114.554 0.008 0.000 2.930 288 T HA 0.088 4.441 4.350 0.004 0.000 0.306 288 T C 1.079 175.753 174.700 -0.042 0.000 1.045 288 T CA -0.339 61.746 62.100 -0.025 0.000 1.134 288 T CB 0.189 69.022 68.868 -0.059 0.000 0.961 288 T HN 0.678 nan 8.240 nan 0.000 0.545 289 Y N 2.409 122.671 120.300 -0.064 0.000 2.207 289 Y HA -0.145 4.408 4.550 0.004 0.000 0.287 289 Y C 1.720 177.599 175.900 -0.036 0.000 1.156 289 Y CA 1.738 59.809 58.100 -0.048 0.000 1.182 289 Y CB -0.728 37.695 38.460 -0.062 0.000 0.979 289 Y HN 0.714 nan 8.280 nan 0.000 0.521 290 D N 0.036 119.685 120.400 -1.252 0.000 2.214 290 D HA -0.130 4.513 4.640 0.004 0.000 0.217 290 D C 1.478 177.550 176.300 -0.380 0.000 0.973 290 D CA 1.541 54.983 54.000 -0.930 0.000 0.880 290 D CB -0.896 39.262 40.800 -1.070 0.000 1.031 290 D HN 0.611 nan 8.370 nan 0.000 0.468 291 E N 0.019 120.052 120.200 -0.280 0.000 2.435 291 E HA 0.008 4.360 4.350 0.004 0.000 0.195 291 E C -0.022 176.525 176.600 -0.088 0.000 1.029 291 E CA -0.032 56.285 56.400 -0.138 0.000 0.865 291 E CB -0.043 29.603 29.700 -0.090 0.000 0.833 291 E HN 0.279 nan 8.360 nan 0.000 0.510 292 Q N 1.028 120.770 119.800 -0.095 0.000 2.439 292 Q HA -0.176 4.167 4.340 0.004 0.000 0.325 292 Q C -0.703 175.301 176.000 0.007 0.000 1.372 292 Q CA 0.610 56.393 55.803 -0.033 0.000 0.909 292 Q CB -0.907 27.816 28.738 -0.025 0.000 1.167 292 Q HN 0.216 nan 8.270 nan 0.000 0.418 293 E N 0.013 120.224 120.200 0.018 0.000 2.221 293 E HA 0.281 4.634 4.350 0.004 0.000 0.268 293 E C -0.853 175.810 176.600 0.104 0.000 0.933 293 E CA -0.929 55.506 56.400 0.058 0.000 0.809 293 E CB 0.940 30.661 29.700 0.035 0.000 1.190 293 E HN 0.210 nan 8.360 nan 0.000 0.406 294 Y N 2.295 122.609 120.300 0.022 0.000 2.442 294 Y HA 0.058 4.611 4.550 0.004 0.000 0.330 294 Y C -0.327 175.608 175.900 0.058 0.000 1.129 294 Y CA 0.389 58.513 58.100 0.041 0.000 1.365 294 Y CB 0.369 38.842 38.460 0.022 0.000 1.233 294 Y HN 0.339 nan 8.280 nan 0.000 0.529 295 H N 8.673 127.254 119.070 -0.815 0.000 2.646 295 H HA 0.277 4.836 4.556 0.004 0.000 0.328 295 H C -2.191 172.627 175.328 -0.850 0.000 0.998 295 H CA -2.363 53.333 56.048 -0.586 0.000 1.225 295 H CB 2.350 31.945 29.762 -0.278 0.000 1.457 295 H HN 0.514 nan 8.280 nan 0.000 0.505 296 P HA 0.041 nan 4.420 nan 0.000 0.249 296 P C 0.125 177.524 177.300 0.164 0.000 1.229 296 P CA 0.552 63.588 63.100 -0.107 0.000 0.788 296 P CB 0.727 32.486 31.700 0.098 0.000 1.072 297 E N 0.506 120.897 120.200 0.320 0.000 4.139 297 E HA 0.275 4.627 4.350 0.004 0.000 0.227 297 E C -2.693 174.017 176.600 0.183 0.000 1.187 297 E CA -1.821 54.781 56.400 0.337 0.000 1.324 297 E CB 0.896 30.829 29.700 0.389 0.000 1.207 297 E HN 0.092 nan 8.360 nan 0.000 0.422 298 P HA 0.215 nan 4.420 nan 0.000 0.288 298 P C -0.836 176.433 177.300 -0.052 0.000 1.363 298 P CA -0.332 62.691 63.100 -0.129 0.000 0.837 298 P CB 0.434 32.042 31.700 -0.153 0.000 0.981 299 R N 1.790 122.250 120.500 -0.066 0.000 2.590 299 R HA 0.274 4.616 4.340 0.004 0.000 0.274 299 R C -0.098 176.224 176.300 0.037 0.000 1.061 299 R CA -0.628 55.449 56.100 -0.038 0.000 1.081 299 R CB 0.428 30.528 30.300 -0.332 0.000 0.984 299 R HN 0.220 nan 8.270 nan 0.000 0.448 300 V N 3.119 123.120 119.914 0.145 0.000 2.461 300 V HA 0.223 4.345 4.120 0.004 0.000 0.275 300 V C 0.728 176.940 176.094 0.197 0.000 1.047 300 V CA 0.204 62.578 62.300 0.122 0.000 0.955 300 V CB 0.893 32.773 31.823 0.094 0.000 0.988 300 V HN 1.008 nan 8.190 nan 0.000 0.471 301 A N 4.978 127.866 122.820 0.114 0.000 3.637 301 A HA 0.884 5.206 4.320 0.004 0.000 0.192 301 A C 0.953 178.530 177.584 -0.011 0.000 1.783 301 A CA 0.249 52.342 52.037 0.094 0.000 1.891 301 A CB -0.491 18.542 19.000 0.055 0.000 1.430 301 A HN 1.066 nan 8.150 nan 0.000 0.460 302 A N -0.515 122.279 122.820 -0.043 0.000 2.483 302 A HA 0.519 4.842 4.320 0.004 0.000 0.238 302 A C -0.348 177.206 177.584 -0.051 0.000 1.070 302 A CA 0.373 52.393 52.037 -0.028 0.000 0.770 302 A CB -0.494 18.535 19.000 0.050 0.000 1.008 302 A HN 0.505 nan 8.150 nan 0.000 0.497 303 I N 2.004 122.515 120.570 -0.099 0.000 2.499 303 I HA 0.365 4.538 4.170 0.004 0.000 0.288 303 I C -0.994 175.027 176.117 -0.160 0.000 1.048 303 I CA -0.371 60.825 61.300 -0.173 0.000 1.062 303 I CB 1.749 39.606 38.000 -0.238 0.000 1.238 303 I HN 0.463 nan 8.210 nan 0.000 0.426 304 L N 4.890 125.990 121.223 -0.206 0.000 2.256 304 L HA 0.874 5.216 4.340 0.004 0.000 0.261 304 L C -0.221 176.625 176.870 -0.040 0.000 1.022 304 L CA -0.484 54.270 54.840 -0.143 0.000 0.828 304 L CB 1.923 43.825 42.059 -0.262 0.000 1.374 304 L HN 0.638 nan 8.230 nan 0.000 0.436 305 A N 0.155 122.992 122.820 0.028 0.000 2.331 305 A HA 0.697 5.020 4.320 0.004 0.000 0.320 305 A C -0.488 177.086 177.584 -0.017 0.000 1.138 305 A CA -0.451 51.622 52.037 0.059 0.000 0.790 305 A CB 1.430 20.469 19.000 0.066 0.000 1.206 305 A HN 0.527 nan 8.150 nan 0.000 0.470 306 S N 0.372 116.031 115.700 -0.069 0.000 2.576 306 S HA 0.214 4.687 4.470 0.004 0.000 0.276 306 S C 0.548 175.139 174.600 -0.015 0.000 1.339 306 S CA -0.216 57.982 58.200 -0.003 0.000 1.039 306 S CB 0.069 63.219 63.200 -0.082 0.000 0.902 306 S HN 0.720 nan 8.310 nan 0.000 0.516 307 H N 2.895 121.977 119.070 0.019 0.000 2.705 307 H HA 0.127 4.685 4.556 0.004 0.000 0.269 307 H C 0.212 175.465 175.328 -0.125 0.000 0.998 307 H CA 0.371 56.392 56.048 -0.045 0.000 1.193 307 H CB 0.395 30.125 29.762 -0.054 0.000 1.485 307 H HN 0.696 nan 8.280 nan 0.000 0.521 308 Y N 0.536 120.848 120.300 0.019 0.000 2.522 308 Y HA 0.222 4.774 4.550 0.004 0.000 0.277 308 Y C 0.762 176.612 175.900 -0.084 0.000 1.104 308 Y CA 0.287 58.368 58.100 -0.032 0.000 1.260 308 Y CB 0.844 39.268 38.460 -0.060 0.000 1.151 308 Y HN -0.137 nan 8.280 nan 0.000 0.539 309 R N 0.231 120.722 120.500 -0.015 0.000 2.808 309 R HA 0.311 4.653 4.340 0.004 0.000 0.272 309 R C -2.788 173.307 176.300 -0.342 0.000 0.995 309 R CA -2.110 53.895 56.100 -0.158 0.000 0.917 309 R CB 1.369 31.569 30.300 -0.166 0.000 1.217 309 R HN -0.275 nan 8.270 nan 0.000 0.471 310 P HA 0.092 nan 4.420 nan 0.000 0.241 310 P C -1.162 175.149 177.300 -1.649 0.000 1.760 310 P CA 0.343 62.755 63.100 -1.146 0.000 1.081 310 P CB 0.194 31.094 31.700 -1.333 0.000 1.975 311 E N 0.872 120.441 120.200 -1.051 0.000 2.408 311 E HA 0.531 4.883 4.350 0.004 0.000 0.275 311 E C -0.981 175.335 176.600 -0.474 0.000 0.935 311 E CA -0.773 55.162 56.400 -0.775 0.000 0.775 311 E CB 1.360 30.799 29.700 -0.435 0.000 1.277 311 E HN 0.059 nan 8.360 nan 0.000 0.455 312 F N 1.002 120.854 119.950 -0.164 0.000 2.458 312 F HA 0.493 5.022 4.527 0.004 0.000 0.330 312 F C 0.082 175.727 175.800 -0.259 0.000 1.082 312 F CA -0.774 57.127 58.000 -0.163 0.000 0.995 312 F CB 0.986 39.882 39.000 -0.173 0.000 1.170 312 F HN 0.218 nan 8.300 nan 0.000 0.478 313 I N 3.354 123.874 120.570 -0.082 0.000 2.355 313 I HA 0.396 4.569 4.170 0.004 0.000 0.288 313 I C -1.107 174.849 176.117 -0.268 0.000 0.999 313 I CA -0.707 60.439 61.300 -0.257 0.000 1.163 313 I CB 1.289 38.989 38.000 -0.500 0.000 1.316 313 I HN 0.108 nan 8.210 nan 0.000 0.454 314 V N 5.704 125.480 119.914 -0.230 0.000 2.409 314 V HA 0.352 4.475 4.120 0.004 0.000 0.291 314 V C -0.160 175.875 176.094 -0.099 0.000 1.020 314 V CA -0.786 61.384 62.300 -0.215 0.000 0.848 314 V CB 1.617 33.222 31.823 -0.363 0.000 0.990 314 V HN 0.593 nan 8.190 nan 0.000 0.430 315 N N 3.071 121.751 118.700 -0.034 0.000 2.434 315 N HA 0.444 5.187 4.740 0.004 0.000 0.272 315 N C -0.636 174.875 175.510 0.003 0.000 1.040 315 N CA -0.184 52.882 53.050 0.026 0.000 0.956 315 N CB 1.916 40.452 38.487 0.082 0.000 1.108 315 N HN 0.435 nan 8.380 nan 0.000 0.481 316 V N 3.630 123.537 119.914 -0.012 0.000 2.313 316 V HA 0.175 4.298 4.120 0.004 0.000 0.278 316 V C 1.574 177.636 176.094 -0.054 0.000 1.017 316 V CA -0.700 61.587 62.300 -0.022 0.000 0.823 316 V CB 1.239 33.047 31.823 -0.024 0.000 1.010 316 V HN 0.680 nan 8.190 nan 0.000 0.443 317 K N 3.466 123.841 120.400 -0.041 0.000 1.980 317 K HA -0.235 4.088 4.320 0.004 0.000 0.223 317 K C 1.678 178.167 176.600 -0.185 0.000 1.052 317 K CA 2.414 58.671 56.287 -0.050 0.000 0.974 317 K CB 0.139 32.647 32.500 0.014 0.000 0.734 317 K HN 0.689 nan 8.250 nan 0.000 0.447 318 E N -0.410 119.630 120.200 -0.266 0.000 2.204 318 E HA -0.125 4.227 4.350 0.004 0.000 0.195 318 E C 1.788 178.100 176.600 -0.478 0.000 0.990 318 E CA 1.847 57.955 56.400 -0.487 0.000 0.821 318 E CB -0.091 29.123 29.700 -0.809 0.000 0.750 318 E HN 0.642 nan 8.360 nan 0.000 0.477 319 T N -3.758 110.611 114.554 -0.308 0.000 3.065 319 T HA 0.236 4.589 4.350 0.004 0.000 0.252 319 T C 1.491 176.177 174.700 -0.024 0.000 1.099 319 T CA 0.202 62.211 62.100 -0.152 0.000 1.063 319 T CB 0.225 69.039 68.868 -0.090 0.000 0.948 319 T HN 0.218 nan 8.240 nan 0.000 0.506 320 G N 1.654 110.392 108.800 -0.103 0.000 2.272 320 G HA2 -0.225 3.738 3.960 0.004 0.000 0.280 320 G HA3 -0.225 3.738 3.960 0.004 0.000 0.280 320 G C -0.325 174.483 174.900 -0.153 0.000 1.067 320 G CA 0.006 45.031 45.100 -0.124 0.000 0.902 320 G HN 0.666 nan 8.290 nan 0.000 0.500 321 K N -0.759 119.587 120.400 -0.090 0.000 2.371 321 K HA 0.717 5.039 4.320 0.004 0.000 0.251 321 K C -0.135 176.432 176.600 -0.055 0.000 0.934 321 K CA -0.943 55.302 56.287 -0.070 0.000 0.798 321 K CB 2.097 34.584 32.500 -0.021 0.000 1.204 321 K HN 0.171 nan 8.250 nan 0.000 0.427 322 I N 4.046 124.585 120.570 -0.052 0.000 2.406 322 I HA 0.313 4.486 4.170 0.004 0.000 0.290 322 I C -0.741 175.349 176.117 -0.044 0.000 0.999 322 I CA -0.814 60.472 61.300 -0.023 0.000 1.124 322 I CB 1.133 39.147 38.000 0.022 0.000 1.289 322 I HN 0.295 nan 8.210 nan 0.000 0.441 323 L N 6.950 128.131 121.223 -0.069 0.000 2.307 323 L HA 0.542 4.885 4.340 0.004 0.000 0.284 323 L C -0.629 176.166 176.870 -0.125 0.000 1.023 323 L CA -0.668 54.119 54.840 -0.088 0.000 0.810 323 L CB 1.396 43.399 42.059 -0.093 0.000 1.231 323 L HN 0.411 nan 8.230 nan 0.000 0.423 324 L N 4.506 125.661 121.223 -0.114 0.000 2.277 324 L HA 0.415 4.758 4.340 0.004 0.000 0.284 324 L C -0.580 176.204 176.870 -0.144 0.000 1.028 324 L CA -0.647 54.109 54.840 -0.139 0.000 0.835 324 L CB 1.599 43.578 42.059 -0.132 0.000 1.215 324 L HN 0.333 nan 8.230 nan 0.000 0.425 325 V N 2.113 121.934 119.914 -0.154 0.000 2.333 325 V HA 0.146 4.269 4.120 0.004 0.000 0.274 325 V C 0.181 176.140 176.094 -0.225 0.000 1.028 325 V CA -0.589 61.634 62.300 -0.129 0.000 0.851 325 V CB 1.498 33.268 31.823 -0.087 0.000 1.000 325 V HN 0.603 nan 8.190 nan 0.000 0.456 326 D N 4.481 124.721 120.400 -0.266 0.000 2.325 326 D HA 0.071 4.713 4.640 0.004 0.000 0.251 326 D C 0.266 176.319 176.300 -0.412 0.000 1.196 326 D CA -0.274 53.460 54.000 -0.443 0.000 0.866 326 D CB 1.206 41.810 40.800 -0.325 0.000 1.101 326 D HN 0.659 nan 8.370 nan 0.000 0.476 327 Y N 1.128 121.145 120.300 -0.471 0.000 2.493 327 Y HA 0.146 4.698 4.550 0.004 0.000 0.275 327 Y C 1.875 177.477 175.900 -0.497 0.000 1.183 327 Y CA -0.062 57.728 58.100 -0.517 0.000 1.258 327 Y CB -0.761 37.301 38.460 -0.665 0.000 1.108 327 Y HN 0.228 nan 8.280 nan 0.000 0.521 328 T N -3.466 110.835 114.554 -0.421 0.000 2.995 328 T HA -0.038 4.315 4.350 0.004 0.000 0.269 328 T C 0.167 174.893 174.700 0.045 0.000 1.091 328 T CA 0.976 62.948 62.100 -0.213 0.000 1.128 328 T CB -0.004 68.760 68.868 -0.174 0.000 0.891 328 T HN 0.314 nan 8.240 nan 0.000 0.492 329 D N -0.132 120.252 120.400 -0.026 0.000 2.478 329 D HA 0.274 4.917 4.640 0.004 0.000 0.240 329 D C 0.563 176.850 176.300 -0.021 0.000 1.364 329 D CA -0.474 53.535 54.000 0.015 0.000 0.987 329 D CB 1.175 41.977 40.800 0.004 0.000 1.328 329 D HN 0.138 nan 8.370 nan 0.000 0.584 330 L N 2.659 123.879 121.223 -0.005 0.000 2.418 330 L HA 0.115 4.458 4.340 0.004 0.000 0.218 330 L C 1.571 178.428 176.870 -0.022 0.000 1.125 330 L CA 0.468 55.288 54.840 -0.034 0.000 0.835 330 L CB -0.053 41.979 42.059 -0.044 0.000 0.953 330 L HN 0.263 nan 8.230 nan 0.000 0.454 331 N N -0.227 118.469 118.700 -0.006 0.000 2.290 331 N HA -0.022 4.721 4.740 0.004 0.000 0.179 331 N C 0.339 175.841 175.510 -0.013 0.000 1.016 331 N CA 0.472 53.517 53.050 -0.008 0.000 0.871 331 N CB 0.302 38.791 38.487 0.003 0.000 0.987 331 N HN 0.214 nan 8.380 nan 0.000 0.431 332 N N 1.426 120.119 118.700 -0.013 0.000 3.012 332 N HA 0.116 4.859 4.740 0.004 0.000 0.270 332 N C -1.313 174.180 175.510 -0.029 0.000 1.469 332 N CA -0.279 52.760 53.050 -0.018 0.000 0.928 332 N CB 1.066 39.545 38.487 -0.013 0.000 1.219 332 N HN 0.106 nan 8.380 nan 0.000 0.492 333 L N 1.460 122.664 121.223 -0.031 0.000 2.456 333 L HA 0.092 4.434 4.340 0.004 0.000 0.277 333 L C 0.639 177.484 176.870 -0.041 0.000 1.124 333 L CA 0.336 55.153 54.840 -0.038 0.000 0.880 333 L CB 0.164 42.207 42.059 -0.027 0.000 1.192 333 L HN 0.138 nan 8.230 nan 0.000 0.463 334 K N 4.023 124.385 120.400 -0.063 0.000 2.211 334 K HA 0.507 4.829 4.320 0.004 0.000 0.275 334 K C -0.786 175.769 176.600 -0.075 0.000 1.024 334 K CA -0.286 55.959 56.287 -0.069 0.000 0.887 334 K CB 0.691 33.138 32.500 -0.088 0.000 1.084 334 K HN 0.778 nan 8.250 nan 0.000 0.463 335 T N -0.221 114.301 114.554 -0.054 0.000 2.903 335 T HA 0.391 4.744 4.350 0.004 0.000 0.299 335 T C -0.646 174.023 174.700 -0.052 0.000 1.093 335 T CA -0.779 61.290 62.100 -0.052 0.000 1.002 335 T CB 1.779 70.640 68.868 -0.011 0.000 1.127 335 T HN 0.333 nan 8.240 nan 0.000 0.488 336 T N 1.954 116.471 114.554 -0.062 0.000 2.815 336 T HA 0.430 4.783 4.350 0.004 0.000 0.289 336 T C -0.750 173.922 174.700 -0.047 0.000 1.000 336 T CA -0.584 61.483 62.100 -0.055 0.000 0.958 336 T CB 1.201 70.027 68.868 -0.070 0.000 0.944 336 T HN 0.792 nan 8.240 nan 0.000 0.442 337 E N 4.635 124.816 120.200 -0.031 0.000 2.055 337 E HA 0.325 4.678 4.350 0.004 0.000 0.274 337 E C -0.690 175.894 176.600 -0.027 0.000 0.949 337 E CA -0.491 55.896 56.400 -0.022 0.000 0.775 337 E CB 0.439 30.137 29.700 -0.003 0.000 1.097 337 E HN 0.582 nan 8.360 nan 0.000 0.404 338 I N 3.522 124.067 120.570 -0.042 0.000 2.325 338 I HA 0.090 4.263 4.170 0.004 0.000 0.291 338 I C 0.204 176.276 176.117 -0.074 0.000 1.019 338 I CA -0.383 60.883 61.300 -0.056 0.000 1.302 338 I CB 1.533 39.492 38.000 -0.068 0.000 1.401 338 I HN 0.378 nan 8.210 nan 0.000 0.485 339 S N 5.246 120.910 115.700 -0.061 0.000 2.488 339 S HA 0.444 4.917 4.470 0.004 0.000 0.278 339 S C 0.567 174.996 174.600 -0.284 0.000 1.259 339 S CA -0.289 57.861 58.200 -0.083 0.000 1.061 339 S CB 1.218 64.470 63.200 0.086 0.000 0.910 339 S HN 0.796 nan 8.310 nan 0.000 0.491 340 A N 3.534 126.026 122.820 -0.547 0.000 2.385 340 A HA 0.797 5.120 4.320 0.004 0.000 0.209 340 A C -0.103 176.922 177.584 -0.932 0.000 2.123 340 A CA -0.147 51.558 52.037 -0.553 0.000 1.674 340 A CB 0.097 18.894 19.000 -0.338 0.000 1.212 340 A HN 0.595 nan 8.150 nan 0.000 0.422 341 E N -0.343 119.437 120.200 -0.701 0.000 2.366 341 E HA 0.520 4.873 4.350 0.004 0.000 0.278 341 E C -1.119 175.327 176.600 -0.257 0.000 0.923 341 E CA -0.516 55.588 56.400 -0.495 0.000 0.761 341 E CB 1.271 30.855 29.700 -0.193 0.000 1.231 341 E HN 0.423 nan 8.360 nan 0.000 0.443 342 R N 2.035 122.496 120.500 -0.066 0.000 2.641 342 R HA 0.369 4.711 4.340 0.004 0.000 0.269 342 R C -0.369 175.746 176.300 -0.308 0.000 1.074 342 R CA 0.007 55.911 56.100 -0.326 0.000 1.133 342 R CB 0.136 30.073 30.300 -0.604 0.000 1.029 342 R HN 0.652 nan 8.270 nan 0.000 0.488 343 F N -1.235 118.725 119.950 0.017 0.000 2.999 343 F HA -0.203 4.326 4.527 0.004 0.000 0.291 343 F C -0.094 175.729 175.800 0.038 0.000 0.824 343 F CA -0.220 57.791 58.000 0.020 0.000 1.255 343 F CB -2.166 36.847 39.000 0.022 0.000 1.333 343 F HN 0.400 nan 8.300 nan 0.000 0.502 344 L N 0.251 121.528 121.223 0.090 0.000 2.485 344 L HA 0.186 4.528 4.340 0.004 0.000 0.275 344 L C 1.382 178.363 176.870 0.186 0.000 1.207 344 L CA 0.623 55.513 54.840 0.083 0.000 0.855 344 L CB 0.620 42.687 42.059 0.014 0.000 1.114 344 L HN 0.384 nan 8.230 nan 0.000 0.485 345 H N 0.632 119.741 119.070 0.065 0.000 4.819 345 H HA 0.202 4.760 4.556 0.004 0.000 0.100 345 H C -0.661 174.719 175.328 0.087 0.000 1.259 345 H CA 0.191 56.294 56.048 0.091 0.000 0.709 345 H CB 0.520 30.340 29.762 0.095 0.000 1.480 345 H HN 0.724 nan 8.280 nan 0.000 0.183 346 D N -0.035 120.380 120.400 0.026 0.000 2.442 346 D HA 0.564 5.206 4.640 0.004 0.000 0.254 346 D C 0.372 176.716 176.300 0.074 0.000 1.069 346 D CA -0.312 53.683 54.000 -0.009 0.000 1.017 346 D CB 1.941 42.700 40.800 -0.068 0.000 1.172 346 D HN 0.710 nan 8.370 nan 0.000 0.561 347 G N -2.605 106.297 108.800 0.170 0.000 2.320 347 G HA2 0.594 4.557 3.960 0.004 0.000 0.296 347 G HA3 0.594 4.557 3.960 0.004 0.000 0.296 347 G C -1.158 173.988 174.900 0.410 0.000 1.306 347 G CA -0.322 44.906 45.100 0.212 0.000 0.836 347 G HN 0.871 nan 8.290 nan 0.000 0.517 348 G N -1.531 107.538 108.800 0.449 0.000 2.649 348 G HA2 0.669 4.632 3.960 0.004 0.000 0.290 348 G HA3 0.669 4.632 3.960 0.004 0.000 0.290 348 G C -1.161 174.086 174.900 0.578 0.000 1.426 348 G CA -0.865 44.591 45.100 0.593 0.000 0.794 348 G HN 0.716 nan 8.290 nan 0.000 0.483 349 L N 1.264 122.897 121.223 0.685 0.000 2.399 349 L HA 0.335 4.677 4.340 0.004 0.000 0.266 349 L C 0.733 177.819 176.870 0.359 0.000 1.114 349 L CA -1.028 54.075 54.840 0.439 0.000 0.804 349 L CB 1.113 43.406 42.059 0.389 0.000 1.146 349 L HN 0.773 nan 8.230 nan 0.000 0.451 350 D N 1.152 121.684 120.400 0.220 0.000 2.380 350 D HA -0.009 4.633 4.640 0.004 0.000 0.254 350 D C 1.115 177.444 176.300 0.049 0.000 1.288 350 D CA 0.042 54.162 54.000 0.199 0.000 1.008 350 D CB 0.852 41.795 40.800 0.239 0.000 1.099 350 D HN 0.601 nan 8.370 nan 0.000 0.537 351 G N -0.636 108.169 108.800 0.008 0.000 2.442 351 G HA2 -0.285 3.678 3.960 0.004 0.000 0.219 351 G HA3 -0.285 3.678 3.960 0.004 0.000 0.219 351 G C 1.530 176.225 174.900 -0.341 0.000 1.141 351 G CA 1.417 46.415 45.100 -0.170 0.000 0.763 351 G HN 0.601 nan 8.290 nan 0.000 0.554 352 S N -0.959 114.659 115.700 -0.136 0.000 2.561 352 S HA 0.040 4.513 4.470 0.004 0.000 0.225 352 S C 1.026 175.618 174.600 -0.013 0.000 0.977 352 S CA 0.879 59.038 58.200 -0.068 0.000 0.926 352 S CB -0.479 62.777 63.200 0.093 0.000 0.769 352 S HN 0.684 nan 8.310 nan 0.000 0.533 353 H N -0.448 118.633 119.070 0.018 0.000 3.080 353 H HA -0.157 4.402 4.556 0.004 0.000 0.254 353 H C 1.311 176.681 175.328 0.070 0.000 1.179 353 H CA 0.961 56.975 56.048 -0.056 0.000 1.144 353 H CB -1.228 28.308 29.762 -0.376 0.000 1.261 353 H HN 0.504 nan 8.280 nan 0.000 0.333 354 R N 0.071 120.576 120.500 0.009 0.000 2.175 354 R HA 0.107 4.450 4.340 0.004 0.000 0.202 354 R C -0.288 175.662 176.300 -0.584 0.000 1.018 354 R CA 0.484 56.246 56.100 -0.563 0.000 1.029 354 R CB 0.555 30.249 30.300 -1.010 0.000 0.959 354 R HN 0.192 nan 8.270 nan 0.000 0.480 355 Y N -0.188 120.096 120.300 -0.026 0.000 2.341 355 Y HA 0.298 4.851 4.550 0.004 0.000 0.337 355 Y C -0.681 175.229 175.900 0.016 0.000 1.014 355 Y CA -1.285 56.783 58.100 -0.053 0.000 1.111 355 Y CB 1.218 39.651 38.460 -0.044 0.000 1.194 355 Y HN -0.095 nan 8.280 nan 0.000 0.462 356 F N 5.088 124.998 119.950 -0.066 0.000 2.405 356 F HA 0.601 5.130 4.527 0.004 0.000 0.355 356 F C -0.921 174.741 175.800 -0.229 0.000 1.121 356 F CA -1.983 55.953 58.000 -0.107 0.000 1.112 356 F CB 0.223 39.168 39.000 -0.092 0.000 1.126 356 F HN 0.332 nan 8.300 nan 0.000 0.481 357 I N 5.827 125.995 120.570 -0.671 0.000 2.382 357 I HA 0.310 4.482 4.170 0.004 0.000 0.286 357 I C -0.118 175.383 176.117 -1.026 0.000 1.002 357 I CA -0.399 60.338 61.300 -0.937 0.000 1.135 357 I CB 1.795 39.017 38.000 -1.297 0.000 1.288 357 I HN 0.561 nan 8.210 nan 0.000 0.448 358 T N 4.654 118.667 114.554 -0.901 0.000 2.893 358 T HA 0.758 5.110 4.350 0.004 0.000 0.291 358 T C -0.799 173.737 174.700 -0.273 0.000 1.028 358 T CA -0.535 61.195 62.100 -0.617 0.000 0.995 358 T CB 1.527 69.897 68.868 -0.830 0.000 1.051 358 T HN 0.602 nan 8.240 nan 0.000 0.470 359 A N 2.520 125.286 122.820 -0.089 0.000 2.276 359 A HA 0.716 5.038 4.320 0.004 0.000 0.300 359 A C 0.513 178.116 177.584 0.031 0.000 1.235 359 A CA -0.410 51.625 52.037 -0.003 0.000 0.867 359 A CB 0.114 19.142 19.000 0.048 0.000 1.137 359 A HN 1.144 nan 8.150 nan 0.000 0.527 360 A N 3.646 126.482 122.820 0.027 0.000 3.016 360 A HA 0.359 4.681 4.320 0.004 0.000 0.303 360 A C 1.158 178.816 177.584 0.123 0.000 1.507 360 A CA -0.250 51.834 52.037 0.078 0.000 1.196 360 A CB -0.796 18.224 19.000 0.033 0.000 1.169 360 A HN 1.022 nan 8.150 nan 0.000 0.544 361 N N 2.489 121.267 118.700 0.130 0.000 2.060 361 N HA -0.258 4.484 4.740 0.004 0.000 0.195 361 N C 1.399 176.949 175.510 0.065 0.000 1.028 361 N CA 2.334 55.438 53.050 0.091 0.000 0.861 361 N CB -0.550 37.974 38.487 0.061 0.000 1.029 361 N HN 0.480 nan 8.380 nan 0.000 0.428 362 A N -0.219 122.630 122.820 0.049 0.000 2.121 362 A HA 0.037 4.360 4.320 0.004 0.000 0.218 362 A C 2.007 179.606 177.584 0.025 0.000 1.154 362 A CA 0.788 52.777 52.037 -0.079 0.000 0.679 362 A CB -0.334 18.378 19.000 -0.479 0.000 0.795 362 A HN 0.401 nan 8.150 nan 0.000 0.458 363 R N -0.795 119.787 120.500 0.136 0.000 2.432 363 R HA 0.094 4.436 4.340 0.004 0.000 0.260 363 R C -0.352 176.004 176.300 0.094 0.000 0.935 363 R CA 0.027 56.208 56.100 0.134 0.000 1.080 363 R CB 0.202 30.620 30.300 0.195 0.000 1.155 363 R HN 0.437 nan 8.270 nan 0.000 0.531 364 N N 1.786 120.539 118.700 0.088 0.000 2.721 364 N HA -0.164 4.579 4.740 0.004 0.000 0.249 364 N C -0.936 174.624 175.510 0.083 0.000 1.072 364 N CA 1.326 54.433 53.050 0.095 0.000 0.710 364 N CB -0.623 37.914 38.487 0.084 0.000 0.993 364 N HN 0.213 nan 8.380 nan 0.000 0.547 365 K N 0.302 120.741 120.400 0.065 0.000 2.328 365 K HA 0.575 4.898 4.320 0.004 0.000 0.246 365 K C 0.336 176.939 176.600 0.004 0.000 0.955 365 K CA -0.610 55.696 56.287 0.032 0.000 0.817 365 K CB 2.003 34.511 32.500 0.013 0.000 1.208 365 K HN 0.027 nan 8.250 nan 0.000 0.432 366 L N 1.776 122.986 121.223 -0.023 0.000 2.313 366 L HA 0.439 4.781 4.340 0.004 0.000 0.283 366 L C -0.484 176.291 176.870 -0.158 0.000 1.013 366 L CA -1.197 53.594 54.840 -0.081 0.000 0.816 366 L CB 1.860 43.897 42.059 -0.038 0.000 1.236 366 L HN 0.133 nan 8.230 nan 0.000 0.419 367 V N 4.240 124.008 119.914 -0.244 0.000 2.435 367 V HA 0.433 4.555 4.120 0.004 0.000 0.290 367 V C -0.027 175.826 176.094 -0.402 0.000 1.030 367 V CA -0.607 61.521 62.300 -0.286 0.000 0.881 367 V CB 2.204 33.862 31.823 -0.276 0.000 0.983 367 V HN 0.410 nan 8.190 nan 0.000 0.445 368 V N 5.892 125.558 119.914 -0.413 0.000 2.448 368 V HA 0.538 4.661 4.120 0.004 0.000 0.295 368 V C -0.411 175.434 176.094 -0.416 0.000 1.025 368 V CA -0.530 61.448 62.300 -0.536 0.000 0.859 368 V CB 1.765 33.068 31.823 -0.867 0.000 0.988 368 V HN 0.564 nan 8.190 nan 0.000 0.431 369 I N 3.203 123.608 120.570 -0.275 0.000 2.474 369 I HA 0.421 4.594 4.170 0.004 0.000 0.294 369 I C -0.373 175.700 176.117 -0.073 0.000 1.005 369 I CA -0.511 60.710 61.300 -0.132 0.000 1.113 369 I CB 2.007 40.013 38.000 0.010 0.000 1.289 369 I HN 0.601 nan 8.210 nan 0.000 0.436 370 D N 3.912 124.257 120.400 -0.093 0.000 2.380 370 D HA 0.113 4.756 4.640 0.004 0.000 0.230 370 D C 1.252 177.418 176.300 -0.224 0.000 1.154 370 D CA -0.129 53.765 54.000 -0.177 0.000 0.859 370 D CB 1.206 41.949 40.800 -0.095 0.000 1.045 370 D HN 0.691 nan 8.370 nan 0.000 0.495 371 T N 1.171 115.554 114.554 -0.285 0.000 3.035 371 T HA -0.119 4.233 4.350 0.004 0.000 0.268 371 T C 1.612 176.184 174.700 -0.214 0.000 1.109 371 T CA 0.870 62.847 62.100 -0.205 0.000 1.119 371 T CB 0.136 68.919 68.868 -0.141 0.000 0.900 371 T HN 0.361 nan 8.240 nan 0.000 0.503 372 K N 0.755 120.945 120.400 -0.348 0.000 2.021 372 K HA -0.028 4.294 4.320 0.004 0.000 0.205 372 K C 2.137 178.653 176.600 -0.139 0.000 1.047 372 K CA 1.105 57.248 56.287 -0.241 0.000 0.943 372 K CB 0.098 32.368 32.500 -0.384 0.000 0.725 372 K HN 0.171 nan 8.250 nan 0.000 0.439 373 E N -0.363 119.747 120.200 -0.149 0.000 2.442 373 E HA 0.040 4.392 4.350 0.004 0.000 0.195 373 E C 0.564 177.111 176.600 -0.087 0.000 1.030 373 E CA 0.792 57.136 56.400 -0.093 0.000 0.869 373 E CB 0.502 30.159 29.700 -0.072 0.000 0.857 373 E HN 0.577 nan 8.360 nan 0.000 0.505 374 G N 2.659 111.395 108.800 -0.106 0.000 2.298 374 G HA2 -0.295 3.668 3.960 0.004 0.000 0.287 374 G HA3 -0.295 3.668 3.960 0.004 0.000 0.287 374 G C -0.050 174.801 174.900 -0.081 0.000 1.075 374 G CA 0.954 45.997 45.100 -0.095 0.000 0.960 374 G HN 0.336 nan 8.290 nan 0.000 0.502 375 K N -1.389 118.960 120.400 -0.085 0.000 2.575 375 K HA 0.716 5.039 4.320 0.004 0.000 0.279 375 K C -0.543 175.998 176.600 -0.098 0.000 0.969 375 K CA -1.462 54.777 56.287 -0.079 0.000 0.868 375 K CB 1.489 33.950 32.500 -0.065 0.000 1.457 375 K HN 0.557 nan 8.250 nan 0.000 0.426 376 L N 2.006 123.167 121.223 -0.104 0.000 2.455 376 L HA 0.078 4.420 4.340 0.004 0.000 0.272 376 L C 0.167 176.941 176.870 -0.160 0.000 1.174 376 L CA 0.431 55.186 54.840 -0.141 0.000 0.869 376 L CB 1.231 43.211 42.059 -0.132 0.000 1.130 376 L HN 0.689 nan 8.230 nan 0.000 0.474 377 V N 4.292 124.059 119.914 -0.246 0.000 2.908 377 V HA 0.589 4.712 4.120 0.004 0.000 0.240 377 V C 0.589 176.499 176.094 -0.306 0.000 1.117 377 V CA 0.727 62.844 62.300 -0.304 0.000 1.133 377 V CB 0.026 31.529 31.823 -0.534 0.000 0.857 377 V HN 0.963 nan 8.190 nan 0.000 0.478 378 A N -0.426 122.192 122.820 -0.338 0.000 2.586 378 A HA 0.780 5.102 4.320 0.004 0.000 0.291 378 A C -1.778 175.686 177.584 -0.200 0.000 1.062 378 A CA -0.354 51.547 52.037 -0.227 0.000 0.666 378 A CB 1.316 20.196 19.000 -0.200 0.000 1.281 378 A HN 0.096 nan 8.150 nan 0.000 0.421 379 I N 1.280 121.778 120.570 -0.120 0.000 2.534 379 I HA 0.419 4.592 4.170 0.004 0.000 0.286 379 I C -1.036 175.051 176.117 -0.050 0.000 1.094 379 I CA -0.390 60.848 61.300 -0.102 0.000 1.055 379 I CB 2.018 39.964 38.000 -0.091 0.000 1.225 379 I HN 0.558 nan 8.210 nan 0.000 0.435 380 E N 4.506 124.684 120.200 -0.036 0.000 2.266 380 E HA 0.295 4.647 4.350 0.004 0.000 0.268 380 E C -1.350 175.257 176.600 0.013 0.000 0.879 380 E CA -0.658 55.741 56.400 -0.002 0.000 0.762 380 E CB 2.992 32.700 29.700 0.014 0.000 1.199 380 E HN 0.492 nan 8.360 nan 0.000 0.422 381 D N 1.028 121.441 120.400 0.022 0.000 2.304 381 D HA 0.052 4.695 4.640 0.004 0.000 0.250 381 D C 0.870 177.199 176.300 0.048 0.000 1.107 381 D CA 0.066 54.088 54.000 0.037 0.000 0.885 381 D CB 1.254 42.072 40.800 0.030 0.000 1.192 381 D HN 0.430 nan 8.370 nan 0.000 0.436 382 T N 0.292 114.897 114.554 0.084 0.000 3.067 382 T HA 0.193 4.545 4.350 0.004 0.000 0.261 382 T C 1.478 176.208 174.700 0.050 0.000 1.110 382 T CA 0.680 62.849 62.100 0.115 0.000 1.113 382 T CB 0.142 69.181 68.868 0.286 0.000 0.917 382 T HN 0.668 nan 8.240 nan 0.000 0.499 383 G N 0.360 109.171 108.800 0.018 0.000 2.179 383 G HA2 -0.018 3.945 3.960 0.004 0.000 0.260 383 G HA3 -0.018 3.945 3.960 0.004 0.000 0.260 383 G C 0.354 175.189 174.900 -0.108 0.000 0.977 383 G CA -0.079 45.002 45.100 -0.032 0.000 0.641 383 G HN 1.099 nan 8.290 nan 0.000 0.533 384 G N -1.466 107.233 108.800 -0.168 0.000 2.735 384 G HA2 0.627 4.589 3.960 0.004 0.000 0.301 384 G HA3 0.627 4.589 3.960 0.004 0.000 0.301 384 G C -0.755 174.064 174.900 -0.134 0.000 1.279 384 G CA -0.473 44.369 45.100 -0.430 0.000 1.019 384 G HN 0.190 nan 8.290 nan 0.000 0.497 385 Q N 0.774 120.517 119.800 -0.096 0.000 2.340 385 Q HA 0.415 4.757 4.340 0.004 0.000 0.259 385 Q C -0.498 175.600 176.000 0.163 0.000 0.964 385 Q CA -0.100 55.731 55.803 0.047 0.000 0.900 385 Q CB 1.248 29.989 28.738 0.004 0.000 1.228 385 Q HN 0.737 nan 8.270 nan 0.000 0.449 386 T N 2.231 116.879 114.554 0.156 0.000 3.389 386 T HA -0.094 4.259 4.350 0.004 0.000 0.422 386 T C -2.569 172.208 174.700 0.129 0.000 0.767 386 T CA -0.418 61.754 62.100 0.119 0.000 2.199 386 T CB -1.115 67.787 68.868 0.056 0.000 1.700 386 T HN 0.392 nan 8.240 nan 0.000 0.698 387 P HA 0.187 nan 4.420 nan 0.000 0.268 387 P C -0.013 177.252 177.300 -0.058 0.000 1.204 387 P CA 0.175 63.137 63.100 -0.230 0.000 0.768 387 P CB 0.417 32.036 31.700 -0.135 0.000 0.842 388 H N 5.689 124.640 119.070 -0.197 0.000 2.808 388 H HA 0.190 4.748 4.556 0.004 0.000 0.268 388 H C -2.254 172.983 175.328 -0.151 0.000 1.306 388 H CA -1.935 54.045 56.048 -0.114 0.000 1.565 388 H CB 1.589 31.266 29.762 -0.141 0.000 1.632 388 H HN 0.253 nan 8.280 nan 0.000 0.525 389 P HA 0.093 nan 4.420 nan 0.000 0.230 389 P C 0.996 178.271 177.300 -0.041 0.000 1.168 389 P CA 1.482 64.498 63.100 -0.140 0.000 0.793 389 P CB 1.305 32.984 31.700 -0.035 0.000 0.851 390 G N 1.717 110.458 108.800 -0.099 0.000 2.531 390 G HA2 -0.331 3.631 3.960 0.004 0.000 0.274 390 G HA3 -0.331 3.631 3.960 0.004 0.000 0.274 390 G C 0.842 175.835 174.900 0.154 0.000 1.159 390 G CA 0.287 45.518 45.100 0.218 0.000 0.969 390 G HN 0.277 nan 8.290 nan 0.000 0.554 391 R N 1.601 122.156 120.500 0.093 0.000 2.317 391 R HA 0.449 4.792 4.340 0.004 0.000 0.208 391 R C 1.419 177.786 176.300 0.113 0.000 0.914 391 R CA 1.199 57.258 56.100 -0.068 0.000 1.060 391 R CB -0.051 29.845 30.300 -0.674 0.000 1.015 391 R HN 2.060 nan 8.270 nan 0.000 0.498 392 G N 0.408 109.232 108.800 0.039 0.000 2.725 392 G HA2 -0.085 3.878 3.960 0.004 0.000 0.220 392 G HA3 -0.085 3.878 3.960 0.004 0.000 0.220 392 G C -1.003 173.809 174.900 -0.147 0.000 1.357 392 G CA -0.514 44.387 45.100 -0.333 0.000 0.866 392 G HN 0.369 nan 8.290 nan 0.000 0.548 393 A N 0.195 122.797 122.820 -0.363 0.000 2.375 393 A HA 0.741 5.064 4.320 0.004 0.000 0.295 393 A C -0.308 177.393 177.584 0.195 0.000 1.066 393 A CA -0.541 51.548 52.037 0.087 0.000 0.722 393 A CB 1.100 20.201 19.000 0.167 0.000 1.206 393 A HN 0.801 nan 8.150 nan 0.000 0.435 394 N N 1.842 120.750 118.700 0.347 0.000 2.421 394 N HA 0.776 5.518 4.740 0.004 0.000 0.285 394 N C -0.973 174.749 175.510 0.354 0.000 1.027 394 N CA 0.221 53.462 53.050 0.317 0.000 0.918 394 N CB 1.625 40.267 38.487 0.259 0.000 1.152 394 N HN 0.663 nan 8.380 nan 0.000 0.485 395 F N -1.869 118.150 119.950 0.114 0.000 2.741 395 F HA 0.527 5.057 4.527 0.005 0.000 0.313 395 F C -1.392 174.456 175.800 0.080 0.000 1.153 395 F CA -1.179 56.870 58.000 0.083 0.000 0.931 395 F CB 0.656 39.711 39.000 0.093 0.000 1.335 395 F HN -0.007 nan 8.300 nan 0.000 0.460 396 V N 2.440 122.484 119.914 0.217 0.000 2.333 396 V HA 0.228 4.351 4.120 0.004 0.000 0.274 396 V C -0.156 176.059 176.094 0.201 0.000 1.028 396 V CA -0.432 61.920 62.300 0.087 0.000 0.851 396 V CB 0.409 32.275 31.823 0.072 0.000 1.000 396 V HN 0.854 nan 8.190 nan 0.000 0.456 397 H N 7.800 126.874 119.070 0.007 0.000 2.722 397 H HA 0.185 4.744 4.556 0.005 0.000 0.328 397 H C -1.819 173.524 175.328 0.024 0.000 1.067 397 H CA -1.668 54.455 56.048 0.125 0.000 1.447 397 H CB 2.091 31.924 29.762 0.119 0.000 1.469 397 H HN 0.340 nan 8.280 nan 0.000 0.544 398 P HA -0.184 nan 4.420 nan 0.000 0.217 398 P C 1.236 178.545 177.300 0.015 0.000 1.151 398 P CA 2.665 65.730 63.100 -0.059 0.000 0.849 398 P CB 0.308 31.914 31.700 -0.156 0.000 0.787 399 T N -5.704 108.904 114.554 0.091 0.000 3.046 399 T HA 0.079 4.431 4.350 0.004 0.000 0.242 399 T C 1.432 176.081 174.700 -0.085 0.000 1.018 399 T CA 0.241 62.292 62.100 -0.083 0.000 1.131 399 T CB -0.952 67.731 68.868 -0.309 0.000 0.904 399 T HN -0.138 nan 8.240 nan 0.000 0.459 400 F N 2.781 122.760 119.950 0.048 0.000 2.456 400 F HA 0.469 4.999 4.527 0.004 0.000 0.298 400 F C 2.019 177.588 175.800 -0.384 0.000 1.104 400 F CA -0.010 57.872 58.000 -0.197 0.000 1.435 400 F CB -0.983 37.775 39.000 -0.404 0.000 1.078 400 F HN 0.634 nan 8.300 nan 0.000 0.546 401 G N -0.293 108.404 108.800 -0.171 0.000 2.568 401 G HA2 -0.197 3.766 3.960 0.004 0.000 0.222 401 G HA3 -0.197 3.766 3.960 0.004 0.000 0.222 401 G C -2.807 171.917 174.900 -0.292 0.000 1.321 401 G CA -1.211 43.595 45.100 -0.489 0.000 0.893 401 G HN -0.004 nan 8.290 nan 0.000 0.569 402 P HA 0.404 nan 4.420 nan 0.000 0.263 402 P C 0.208 177.360 177.300 -0.247 0.000 1.195 402 P CA 0.706 63.685 63.100 -0.200 0.000 0.762 402 P CB 0.943 32.565 31.700 -0.130 0.000 0.799 403 V N 1.009 120.750 119.914 -0.289 0.000 3.159 403 V HA 0.751 4.873 4.120 0.004 0.000 0.308 403 V C -1.777 174.244 176.094 -0.123 0.000 1.190 403 V CA -1.216 60.922 62.300 -0.272 0.000 1.037 403 V CB 2.413 33.999 31.823 -0.394 0.000 1.060 403 V HN 0.576 nan 8.190 nan 0.000 0.437 404 W N 1.579 122.780 121.300 -0.165 0.000 2.785 404 W HA 0.873 5.536 4.660 0.005 0.000 0.333 404 W C -0.443 176.100 176.519 0.040 0.000 1.062 404 W CA -0.071 57.276 57.345 0.003 0.000 1.233 404 W CB 1.904 31.409 29.460 0.075 0.000 1.413 404 W HN 1.062 nan 8.180 nan 0.000 0.489 405 A N 3.186 125.868 122.820 -0.231 0.000 2.384 405 A HA 0.838 5.160 4.320 0.004 0.000 0.312 405 A C -1.019 176.148 177.584 -0.695 0.000 1.113 405 A CA -0.583 51.313 52.037 -0.236 0.000 0.779 405 A CB 2.000 21.062 19.000 0.104 0.000 1.307 405 A HN 0.521 nan 8.150 nan 0.000 0.436 406 T N -0.178 114.132 114.554 -0.407 0.000 2.923 406 T HA 0.626 4.979 4.350 0.004 0.000 0.311 406 T C -0.149 174.399 174.700 -0.253 0.000 1.183 406 T CA 0.196 62.053 62.100 -0.405 0.000 1.020 406 T CB 1.088 69.744 68.868 -0.352 0.000 1.165 406 T HN 1.537 nan 8.240 nan 0.000 0.482 407 S N 2.762 118.340 115.700 -0.203 0.000 2.758 407 S HA 0.800 5.272 4.470 0.004 0.000 0.292 407 S C -0.874 173.587 174.600 -0.230 0.000 1.131 407 S CA -0.594 57.555 58.200 -0.085 0.000 0.997 407 S CB 0.792 63.994 63.200 0.003 0.000 1.111 407 S HN 0.825 nan 8.310 nan 0.000 0.552 408 H N -0.739 118.317 119.070 -0.022 0.000 2.747 408 H HA 0.501 5.059 4.556 0.004 0.000 0.371 408 H C 0.439 175.758 175.328 -0.015 0.000 1.161 408 H CA -0.815 55.230 56.048 -0.004 0.000 1.167 408 H CB 1.364 31.118 29.762 -0.013 0.000 1.732 408 H HN 0.507 nan 8.280 nan 0.000 0.544 409 M N 0.633 120.288 119.600 0.091 0.000 2.287 409 M HA 0.066 4.549 4.480 0.004 0.000 0.266 409 M C 2.039 178.356 176.300 0.028 0.000 1.079 409 M CA 1.371 56.677 55.300 0.011 0.000 1.146 409 M CB 0.161 32.736 32.600 -0.041 0.000 1.374 409 M HN 0.863 nan 8.290 nan 0.000 0.435 410 G N 0.622 109.458 108.800 0.060 0.000 2.511 410 G HA2 -0.062 3.900 3.960 0.004 0.000 0.217 410 G HA3 -0.062 3.900 3.960 0.004 0.000 0.217 410 G C 0.033 174.942 174.900 0.014 0.000 1.133 410 G CA 0.715 45.833 45.100 0.030 0.000 0.792 410 G HN 0.550 nan 8.290 nan 0.000 0.539 411 D N -1.727 118.685 120.400 0.021 0.000 2.812 411 D HA 0.243 4.886 4.640 0.004 0.000 0.318 411 D C -0.216 176.087 176.300 0.005 0.000 1.234 411 D CA -0.367 53.625 54.000 -0.013 0.000 0.989 411 D CB 0.181 40.941 40.800 -0.067 0.000 1.442 411 D HN -0.037 nan 8.370 nan 0.000 0.537 412 D N -1.105 119.291 120.400 -0.006 0.000 2.328 412 D HA 0.092 4.734 4.640 0.004 0.000 0.221 412 D C 0.052 176.360 176.300 0.013 0.000 1.072 412 D CA -0.196 53.814 54.000 0.017 0.000 0.850 412 D CB -0.512 40.309 40.800 0.035 0.000 0.922 412 D HN 0.364 nan 8.370 nan 0.000 0.516 413 S N -0.488 115.181 115.700 -0.051 0.000 2.584 413 S HA 0.486 4.959 4.470 0.004 0.000 0.273 413 S C -0.016 174.572 174.600 -0.021 0.000 1.311 413 S CA -0.770 57.367 58.200 -0.105 0.000 1.034 413 S CB 1.791 64.839 63.200 -0.254 0.000 0.939 413 S HN -0.019 nan 8.310 nan 0.000 0.513 414 V N 1.794 121.555 119.914 -0.255 0.000 2.487 414 V HA 0.779 4.901 4.120 0.004 0.000 0.298 414 V C 0.183 176.003 176.094 -0.458 0.000 1.028 414 V CA -0.511 61.574 62.300 -0.358 0.000 0.860 414 V CB 1.215 32.626 31.823 -0.685 0.000 0.991 414 V HN 1.231 nan 8.190 nan 0.000 0.427 415 A N 5.872 128.596 122.820 -0.160 0.000 2.350 415 A HA 0.937 5.260 4.320 0.004 0.000 0.324 415 A C -1.039 176.515 177.584 -0.051 0.000 1.118 415 A CA -0.594 51.386 52.037 -0.095 0.000 0.783 415 A CB 1.146 20.194 19.000 0.079 0.000 1.236 415 A HN 0.778 nan 8.150 nan 0.000 0.457 416 L N 2.596 123.800 121.223 -0.032 0.000 2.329 416 L HA 0.628 4.971 4.340 0.004 0.000 0.279 416 L C -0.543 176.306 176.870 -0.034 0.000 1.014 416 L CA -0.431 54.413 54.840 0.007 0.000 0.814 416 L CB 1.694 43.771 42.059 0.029 0.000 1.257 416 L HN 0.729 nan 8.230 nan 0.000 0.424 417 I N 1.212 121.804 120.570 0.037 0.000 2.465 417 I HA 0.553 4.725 4.170 0.004 0.000 0.291 417 I C 0.477 176.527 176.117 -0.111 0.000 1.014 417 I CA -0.366 60.933 61.300 -0.003 0.000 1.093 417 I CB 1.837 39.920 38.000 0.139 0.000 1.267 417 I HN 0.655 nan 8.210 nan 0.000 0.431 418 G N 3.292 111.932 108.800 -0.267 0.000 2.398 418 G HA2 0.316 4.278 3.960 0.004 0.000 0.246 418 G HA3 0.316 4.278 3.960 0.004 0.000 0.246 418 G C 0.478 174.991 174.900 -0.646 0.000 1.289 418 G CA 0.213 45.070 45.100 -0.406 0.000 0.869 418 G HN 0.748 nan 8.290 nan 0.000 0.543 419 T N -1.357 112.842 114.554 -0.591 0.000 3.252 419 T HA 0.224 4.577 4.350 0.004 0.000 0.286 419 T C -0.116 174.215 174.700 -0.616 0.000 1.013 419 T CA -0.329 61.315 62.100 -0.760 0.000 0.914 419 T CB 0.565 69.322 68.868 -0.185 0.000 1.131 419 T HN 0.381 nan 8.240 nan 0.000 0.529 420 D N 1.547 121.616 120.400 -0.552 0.000 2.412 420 D HA 0.407 5.050 4.640 0.004 0.000 0.276 420 D C -2.021 174.129 176.300 -0.249 0.000 1.196 420 D CA -2.402 51.441 54.000 -0.261 0.000 0.905 420 D CB 1.762 42.532 40.800 -0.050 0.000 1.081 420 D HN -0.034 nan 8.370 nan 0.000 0.502 421 P HA -0.097 nan 4.420 nan 0.000 0.218 421 P C 0.929 178.194 177.300 -0.057 0.000 1.148 421 P CA 1.006 64.004 63.100 -0.171 0.000 0.822 421 P CB 0.510 32.194 31.700 -0.026 0.000 0.784 422 E N -0.965 119.227 120.200 -0.013 0.000 2.033 422 E HA -0.029 4.323 4.350 0.004 0.000 0.189 422 E C 2.240 178.818 176.600 -0.037 0.000 0.979 422 E CA 1.258 57.658 56.400 0.000 0.000 0.802 422 E CB -0.745 28.975 29.700 0.034 0.000 0.763 422 E HN 0.224 nan 8.360 nan 0.000 0.449 423 G N -0.393 108.387 108.800 -0.034 0.000 2.539 423 G HA2 -0.087 3.875 3.960 0.004 0.000 0.215 423 G HA3 -0.087 3.875 3.960 0.004 0.000 0.215 423 G C 0.262 174.924 174.900 -0.397 0.000 1.141 423 G CA 0.166 45.176 45.100 -0.150 0.000 0.806 423 G HN 0.186 nan 8.290 nan 0.000 0.533 424 H N 0.050 119.067 119.070 -0.090 0.000 2.439 424 H HA 0.251 4.810 4.556 0.004 0.000 0.230 424 H C -1.571 173.669 175.328 -0.146 0.000 1.420 424 H CA -1.436 54.553 56.048 -0.099 0.000 1.305 424 H CB 1.579 31.282 29.762 -0.099 0.000 1.667 424 H HN 0.109 nan 8.280 nan 0.000 0.515 425 P HA -0.218 nan 4.420 nan 0.000 0.216 425 P C 0.602 177.851 177.300 -0.086 0.000 1.150 425 P CA 1.350 64.399 63.100 -0.084 0.000 0.843 425 P CB 0.660 32.327 31.700 -0.055 0.000 0.787 426 D N -0.747 119.621 120.400 -0.053 0.000 2.224 426 D HA -0.073 4.570 4.640 0.004 0.000 0.205 426 D C 1.451 177.704 176.300 -0.078 0.000 0.965 426 D CA 0.794 54.766 54.000 -0.047 0.000 0.852 426 D CB -0.385 40.406 40.800 -0.016 0.000 0.947 426 D HN 0.212 nan 8.370 nan 0.000 0.494 427 N N 0.491 119.130 118.700 -0.100 0.000 2.392 427 N HA 0.068 4.810 4.740 0.004 0.000 0.177 427 N C 0.391 175.717 175.510 -0.308 0.000 1.066 427 N CA 0.002 52.945 53.050 -0.178 0.000 0.895 427 N CB 0.166 38.566 38.487 -0.146 0.000 0.988 427 N HN -0.008 nan 8.380 nan 0.000 0.457 428 A N 0.511 123.097 122.820 -0.390 0.000 2.545 428 A HA 0.090 4.413 4.320 0.004 0.000 0.253 428 A C -0.122 177.067 177.584 -0.658 0.000 1.074 428 A CA -0.070 51.490 52.037 -0.794 0.000 0.760 428 A CB -0.888 17.607 19.000 -0.842 0.000 1.005 428 A HN 0.515 nan 8.150 nan 0.000 0.506 429 W N 0.541 121.734 121.300 -0.178 0.000 4.849 429 W HA -0.186 4.476 4.660 0.004 0.000 0.358 429 W C 0.185 176.624 176.519 -0.133 0.000 1.331 429 W CA 0.601 57.844 57.345 -0.169 0.000 0.844 429 W CB -1.270 28.084 29.460 -0.176 0.000 2.434 429 W HN 0.562 nan 8.180 nan 0.000 1.458 430 K N 0.649 121.017 120.400 -0.053 0.000 2.316 430 K HA 0.440 4.763 4.320 0.004 0.000 0.251 430 K C 0.099 176.631 176.600 -0.113 0.000 0.934 430 K CA -1.130 55.116 56.287 -0.068 0.000 0.802 430 K CB 1.608 34.042 32.500 -0.110 0.000 1.171 430 K HN -0.185 nan 8.250 nan 0.000 0.426 431 I N 4.776 125.297 120.570 -0.082 0.000 2.406 431 I HA 0.003 4.176 4.170 0.004 0.000 0.293 431 I C 1.462 177.469 176.117 -0.183 0.000 1.101 431 I CA 0.222 61.465 61.300 -0.095 0.000 1.334 431 I CB -0.318 37.660 38.000 -0.038 0.000 1.421 431 I HN 0.481 nan 8.210 nan 0.000 0.513 432 L N 4.079 125.106 121.223 -0.327 0.000 2.375 432 L HA 0.163 4.506 4.340 0.004 0.000 0.215 432 L C 0.391 177.018 176.870 -0.405 0.000 1.108 432 L CA 0.702 55.183 54.840 -0.599 0.000 0.830 432 L CB -0.087 41.195 42.059 -1.295 0.000 0.959 432 L HN 0.562 nan 8.230 nan 0.000 0.457 433 D N -1.591 118.714 120.400 -0.159 0.000 2.685 433 D HA 0.304 4.947 4.640 0.004 0.000 0.236 433 D C -1.568 174.765 176.300 0.054 0.000 1.233 433 D CA -0.174 53.877 54.000 0.086 0.000 0.760 433 D CB 2.148 43.159 40.800 0.351 0.000 1.410 433 D HN -0.255 nan 8.370 nan 0.000 0.439 434 S N 1.652 117.408 115.700 0.093 0.000 2.668 434 S HA 0.763 5.235 4.470 0.004 0.000 0.277 434 S C -1.615 173.020 174.600 0.060 0.000 1.170 434 S CA -0.681 57.473 58.200 -0.076 0.000 0.994 434 S CB -0.047 63.123 63.200 -0.051 0.000 1.051 434 S HN 0.330 nan 8.310 nan 0.000 0.484 435 F N 2.609 122.584 119.950 0.041 0.000 2.626 435 F HA 0.857 5.387 4.527 0.004 0.000 0.311 435 F C -2.947 172.907 175.800 0.089 0.000 1.088 435 F CA -2.418 55.626 58.000 0.073 0.000 0.949 435 F CB 0.772 39.828 39.000 0.094 0.000 1.322 435 F HN 0.259 nan 8.300 nan 0.000 0.461 436 P HA 0.502 nan 4.420 nan 0.000 0.281 436 P C -1.018 176.545 177.300 0.438 0.000 1.249 436 P CA 0.044 63.320 63.100 0.294 0.000 0.810 436 P CB 1.991 33.844 31.700 0.254 0.000 1.008 437 A N 2.022 124.957 122.820 0.192 0.000 3.837 437 A HA 0.423 4.745 4.320 0.004 0.000 0.167 437 A C 1.650 179.047 177.584 -0.312 0.000 0.997 437 A CA -0.523 51.439 52.037 -0.125 0.000 0.865 437 A CB -0.594 18.419 19.000 0.021 0.000 1.484 437 A HN 0.449 nan 8.150 nan 0.000 0.688 438 L N -0.493 120.497 121.223 -0.389 0.000 2.017 438 L HA 0.177 4.520 4.340 0.004 0.000 0.208 438 L C 1.310 178.173 176.870 -0.013 0.000 1.073 438 L CA 1.593 56.343 54.840 -0.150 0.000 0.745 438 L CB -0.322 41.656 42.059 -0.136 0.000 0.894 438 L HN 0.943 nan 8.230 nan 0.000 0.432 439 G N -2.526 106.264 108.800 -0.017 0.000 2.320 439 G HA2 0.369 4.332 3.960 0.004 0.000 0.296 439 G HA3 0.369 4.332 3.960 0.004 0.000 0.296 439 G C -0.823 174.081 174.900 0.005 0.000 1.306 439 G CA -0.383 44.722 45.100 0.008 0.000 0.836 439 G HN 0.188 nan 8.290 nan 0.000 0.517 440 G N -1.774 107.030 108.800 0.007 0.000 2.667 440 G HA2 0.559 4.521 3.960 0.004 0.000 0.250 440 G HA3 0.559 4.521 3.960 0.004 0.000 0.250 440 G C 1.254 176.154 174.900 -0.000 0.000 1.212 440 G CA 1.141 46.245 45.100 0.007 0.000 0.874 440 G HN 2.343 nan 8.290 nan 0.000 0.561 441 G N -1.496 107.302 108.800 -0.003 0.000 2.132 441 G HA2 -0.143 3.820 3.960 0.004 0.000 0.234 441 G HA3 -0.143 3.820 3.960 0.004 0.000 0.234 441 G C 0.548 175.434 174.900 -0.024 0.000 0.989 441 G CA 0.666 45.755 45.100 -0.019 0.000 0.676 441 G HN 1.365 nan 8.290 nan 0.000 0.522 442 S N -0.836 114.856 115.700 -0.013 0.000 2.565 442 S HA 0.678 5.150 4.470 0.004 0.000 0.276 442 S C 1.524 176.068 174.600 -0.093 0.000 1.326 442 S CA -0.104 58.089 58.200 -0.011 0.000 1.045 442 S CB 0.941 64.154 63.200 0.023 0.000 0.918 442 S HN 0.401 nan 8.310 nan 0.000 0.505 443 L N 2.641 123.789 121.223 -0.126 0.000 2.624 443 L HA 0.452 4.795 4.340 0.004 0.000 0.222 443 L C -0.749 175.756 176.870 -0.608 0.000 1.046 443 L CA 0.166 54.734 54.840 -0.454 0.000 0.872 443 L CB 0.247 41.996 42.059 -0.516 0.000 1.190 443 L HN 0.527 nan 8.230 nan 0.000 0.487 444 F N -0.295 119.764 119.950 0.181 0.000 2.565 444 F HA 0.524 5.054 4.527 0.005 0.000 0.313 444 F C -0.438 175.458 175.800 0.159 0.000 1.091 444 F CA -0.717 57.387 58.000 0.173 0.000 0.915 444 F CB 2.339 41.435 39.000 0.160 0.000 1.208 444 F HN -0.303 nan 8.300 nan 0.000 0.453 445 I N 2.674 123.425 120.570 0.303 0.000 2.569 445 I HA 0.659 4.832 4.170 0.004 0.000 0.296 445 I C -1.348 174.943 176.117 0.289 0.000 1.028 445 I CA -0.627 60.819 61.300 0.244 0.000 1.082 445 I CB 1.709 39.763 38.000 0.090 0.000 1.264 445 I HN 0.614 nan 8.210 nan 0.000 0.429 446 K N 3.695 124.322 120.400 0.379 0.000 2.546 446 K HA 0.704 5.026 4.320 0.004 0.000 0.264 446 K C -1.213 175.748 176.600 0.602 0.000 0.937 446 K CA -0.414 56.143 56.287 0.450 0.000 0.833 446 K CB 2.232 34.989 32.500 0.429 0.000 1.378 446 K HN 0.653 nan 8.250 nan 0.000 0.432 447 T N 0.352 115.226 114.554 0.534 0.000 2.711 447 T HA 0.440 4.793 4.350 0.004 0.000 0.302 447 T C -2.220 172.472 174.700 -0.014 0.000 1.373 447 T CA -0.493 61.842 62.100 0.392 0.000 1.000 447 T CB 0.715 69.731 68.868 0.247 0.000 1.483 447 T HN 0.582 nan 8.240 nan 0.000 0.499 448 H N 0.134 118.959 119.070 -0.408 0.000 3.046 448 H HA 0.358 4.918 4.556 0.007 0.000 0.361 448 H C -2.411 172.804 175.328 -0.188 0.000 1.235 448 H CA -1.491 54.278 56.048 -0.465 0.000 1.146 448 H CB 2.445 31.548 29.762 -1.099 0.000 1.859 448 H HN 0.321 nan 8.280 nan 0.000 0.548 449 P HA -0.111 nan 4.420 nan 0.000 0.217 449 P C 0.647 177.985 177.300 0.062 0.000 1.148 449 P CA 1.175 64.206 63.100 -0.115 0.000 0.828 449 P CB 0.391 31.973 31.700 -0.195 0.000 0.783 450 N N -1.658 117.205 118.700 0.272 0.000 2.398 450 N HA 0.023 4.766 4.740 0.004 0.000 0.188 450 N C 0.461 176.059 175.510 0.147 0.000 1.122 450 N CA 0.447 53.621 53.050 0.206 0.000 0.866 450 N CB -0.077 38.542 38.487 0.221 0.000 0.970 450 N HN 0.071 nan 8.380 nan 0.000 0.462 451 S N 0.272 116.050 115.700 0.131 0.000 2.608 451 S HA 0.216 4.688 4.470 0.004 0.000 0.291 451 S C 0.773 175.389 174.600 0.025 0.000 1.146 451 S CA -0.633 57.653 58.200 0.144 0.000 1.043 451 S CB 1.309 64.675 63.200 0.276 0.000 1.037 451 S HN 0.309 nan 8.310 nan 0.000 0.520 452 Q N 1.763 121.473 119.800 -0.151 0.000 2.219 452 Q HA 0.257 4.599 4.340 0.004 0.000 0.209 452 Q C -1.118 174.603 176.000 -0.465 0.000 0.854 452 Q CA -0.172 55.432 55.803 -0.331 0.000 0.960 452 Q CB 0.052 28.520 28.738 -0.449 0.000 1.116 452 Q HN 0.621 nan 8.270 nan 0.000 0.500 453 Y N 0.488 120.832 120.300 0.074 0.000 2.487 453 Y HA 0.548 5.099 4.550 0.001 0.000 0.337 453 Y C -0.814 175.068 175.900 -0.030 0.000 1.076 453 Y CA -1.778 56.297 58.100 -0.041 0.000 1.115 453 Y CB 1.762 40.120 38.460 -0.168 0.000 1.235 453 Y HN 0.061 nan 8.280 nan 0.000 0.468 454 L N 3.314 124.580 121.223 0.072 0.000 2.342 454 L HA 0.517 4.859 4.340 0.004 0.000 0.276 454 L C -1.858 175.110 176.870 0.162 0.000 0.997 454 L CA -0.803 54.111 54.840 0.124 0.000 0.838 454 L CB 0.194 42.240 42.059 -0.022 0.000 1.224 454 L HN 0.448 nan 8.230 nan 0.000 0.416 455 Y N 4.208 124.725 120.300 0.362 0.000 2.320 455 Y HA 0.638 5.189 4.550 0.003 0.000 0.334 455 Y C -0.077 176.008 175.900 0.309 0.000 1.055 455 Y CA -0.700 57.608 58.100 0.345 0.000 1.143 455 Y CB 1.596 40.330 38.460 0.456 0.000 1.193 455 Y HN 0.269 nan 8.280 nan 0.000 0.477 456 V N 3.675 123.802 119.914 0.355 0.000 2.525 456 V HA 0.288 4.410 4.120 0.004 0.000 0.299 456 V C -0.620 175.575 176.094 0.167 0.000 1.034 456 V CA -1.090 61.364 62.300 0.258 0.000 0.863 456 V CB 1.471 33.426 31.823 0.220 0.000 0.999 456 V HN 0.806 nan 8.190 nan 0.000 0.423 457 D N 3.829 124.349 120.400 0.199 0.000 2.506 457 D HA 0.728 5.370 4.640 0.004 0.000 0.272 457 D C 0.221 176.562 176.300 0.068 0.000 1.214 457 D CA -0.498 53.581 54.000 0.131 0.000 1.067 457 D CB 1.699 42.639 40.800 0.232 0.000 1.117 457 D HN 0.729 nan 8.370 nan 0.000 0.578 458 A N -0.711 122.134 122.820 0.042 0.000 3.165 458 A HA 0.317 4.639 4.320 0.004 0.000 0.212 458 A C 1.011 178.609 177.584 0.023 0.000 0.935 458 A CA -0.383 51.663 52.037 0.015 0.000 1.100 458 A CB -0.685 18.305 19.000 -0.016 0.000 1.260 458 A HN 0.452 nan 8.150 nan 0.000 0.532 459 T N 0.784 115.377 114.554 0.065 0.000 2.649 459 T HA -0.214 4.138 4.350 0.004 0.000 0.268 459 T C 1.435 176.157 174.700 0.037 0.000 1.036 459 T CA 1.955 64.110 62.100 0.091 0.000 1.157 459 T CB -0.353 68.626 68.868 0.186 0.000 0.861 459 T HN 0.483 nan 8.240 nan 0.000 0.445 460 L N 0.888 122.119 121.223 0.014 0.000 2.627 460 L HA 0.194 4.536 4.340 0.004 0.000 0.232 460 L C 1.047 177.901 176.870 -0.026 0.000 1.150 460 L CA -0.327 54.505 54.840 -0.014 0.000 0.917 460 L CB -0.511 41.536 42.059 -0.019 0.000 1.104 460 L HN 0.241 nan 8.230 nan 0.000 0.445 461 N N 2.316 121.002 118.700 -0.022 0.000 2.483 461 N HA 0.027 4.770 4.740 0.004 0.000 0.264 461 N C -1.446 174.043 175.510 -0.036 0.000 1.197 461 N CA -0.967 52.068 53.050 -0.025 0.000 0.927 461 N CB 1.607 40.081 38.487 -0.022 0.000 1.065 461 N HN -0.040 nan 8.380 nan 0.000 0.461 462 P HA -0.089 nan 4.420 nan 0.000 0.220 462 P C -0.097 177.178 177.300 -0.042 0.000 1.148 462 P CA 0.992 64.067 63.100 -0.041 0.000 0.803 462 P CB 0.370 32.050 31.700 -0.034 0.000 0.782 463 E N -0.346 119.833 120.200 -0.036 0.000 2.180 463 E HA 0.326 4.679 4.350 0.004 0.000 0.283 463 E C 1.244 177.818 176.600 -0.044 0.000 1.061 463 E CA -0.393 55.985 56.400 -0.036 0.000 0.861 463 E CB 0.774 30.457 29.700 -0.028 0.000 1.056 463 E HN -0.045 nan 8.360 nan 0.000 0.407 464 A N 4.753 127.544 122.820 -0.049 0.000 1.948 464 A HA -0.262 4.060 4.320 0.004 0.000 0.220 464 A C 1.747 179.296 177.584 -0.059 0.000 1.177 464 A CA 1.692 53.696 52.037 -0.055 0.000 0.636 464 A CB -0.309 18.658 19.000 -0.055 0.000 0.815 464 A HN 0.821 nan 8.150 nan 0.000 0.449 465 E N -0.669 119.499 120.200 -0.054 0.000 2.153 465 E HA -0.143 4.210 4.350 0.004 0.000 0.194 465 E C 1.844 178.403 176.600 -0.067 0.000 0.988 465 E CA 1.213 57.575 56.400 -0.062 0.000 0.811 465 E CB -0.206 29.463 29.700 -0.052 0.000 0.746 465 E HN 0.755 nan 8.360 nan 0.000 0.466 466 I N 0.506 121.044 120.570 -0.053 0.000 2.339 466 I HA -0.180 3.993 4.170 0.004 0.000 0.245 466 I C 2.580 178.663 176.117 -0.056 0.000 1.096 466 I CA 0.849 62.119 61.300 -0.049 0.000 1.408 466 I CB -0.281 37.701 38.000 -0.030 0.000 1.092 466 I HN 0.078 nan 8.210 nan 0.000 0.423 467 S N 0.932 116.602 115.700 -0.050 0.000 2.442 467 S HA -0.073 4.399 4.470 0.004 0.000 0.236 467 S C 1.817 176.387 174.600 -0.049 0.000 1.007 467 S CA 1.037 59.212 58.200 -0.041 0.000 0.965 467 S CB -0.778 62.395 63.200 -0.044 0.000 0.773 467 S HN 0.480 nan 8.310 nan 0.000 0.504 468 G N 0.024 108.779 108.800 -0.074 0.000 3.284 468 G HA2 0.503 4.465 3.960 0.004 0.000 0.236 468 G HA3 0.503 4.465 3.960 0.004 0.000 0.236 468 G C 0.001 174.808 174.900 -0.155 0.000 1.158 468 G CA -0.266 44.777 45.100 -0.095 0.000 0.774 468 G HN 0.471 nan 8.290 nan 0.000 0.545 469 S N -1.588 114.016 115.700 -0.160 0.000 2.704 469 S HA 0.748 5.220 4.470 0.004 0.000 0.296 469 S C -1.092 173.371 174.600 -0.227 0.000 1.138 469 S CA -0.519 57.544 58.200 -0.229 0.000 0.875 469 S CB 2.599 65.684 63.200 -0.192 0.000 1.151 469 S HN -0.038 nan 8.310 nan 0.000 0.500 470 V N 0.990 120.735 119.914 -0.281 0.000 2.760 470 V HA 0.768 4.890 4.120 0.004 0.000 0.309 470 V C -0.404 175.584 176.094 -0.175 0.000 1.077 470 V CA -0.784 61.371 62.300 -0.241 0.000 0.910 470 V CB 1.739 33.293 31.823 -0.448 0.000 1.008 470 V HN 1.033 nan 8.190 nan 0.000 0.424 471 A N 3.972 126.695 122.820 -0.163 0.000 2.309 471 A HA 0.831 5.153 4.320 0.004 0.000 0.298 471 A C -0.714 176.753 177.584 -0.194 0.000 1.165 471 A CA -0.423 51.443 52.037 -0.285 0.000 0.821 471 A CB 1.067 19.616 19.000 -0.751 0.000 1.102 471 A HN 0.792 nan 8.150 nan 0.000 0.500 472 V N 2.805 122.574 119.914 -0.242 0.000 2.443 472 V HA 0.429 4.551 4.120 0.004 0.000 0.293 472 V C -1.056 174.895 176.094 -0.239 0.000 1.021 472 V CA -0.261 61.878 62.300 -0.268 0.000 0.848 472 V CB 0.811 32.399 31.823 -0.392 0.000 0.998 472 V HN 0.718 nan 8.190 nan 0.000 0.424 473 F N 2.110 122.068 119.950 0.012 0.000 2.421 473 F HA 0.461 4.990 4.527 0.004 0.000 0.337 473 F C 0.489 176.349 175.800 0.100 0.000 1.105 473 F CA -0.594 57.449 58.000 0.072 0.000 1.049 473 F CB 1.299 40.332 39.000 0.055 0.000 1.139 473 F HN 0.438 nan 8.300 nan 0.000 0.479 474 D N 3.506 124.072 120.400 0.277 0.000 2.365 474 D HA 0.198 4.841 4.640 0.004 0.000 0.237 474 D C 1.139 177.449 176.300 0.017 0.000 1.190 474 D CA 0.143 54.253 54.000 0.182 0.000 0.867 474 D CB 0.577 41.480 40.800 0.171 0.000 1.050 474 D HN 0.510 nan 8.370 nan 0.000 0.491 475 I N 3.338 123.853 120.570 -0.092 0.000 2.194 475 I HA -0.304 3.869 4.170 0.004 0.000 0.246 475 I C 2.231 178.274 176.117 -0.124 0.000 1.093 475 I CA 1.089 62.298 61.300 -0.151 0.000 1.355 475 I CB -0.031 37.847 38.000 -0.204 0.000 1.046 475 I HN 0.370 nan 8.210 nan 0.000 0.413 476 K N 0.663 120.994 120.400 -0.115 0.000 2.209 476 K HA -0.102 4.220 4.320 0.004 0.000 0.204 476 K C 1.906 178.454 176.600 -0.087 0.000 1.048 476 K CA 1.313 57.543 56.287 -0.095 0.000 0.940 476 K CB -0.173 32.276 32.500 -0.085 0.000 0.729 476 K HN 0.344 nan 8.250 nan 0.000 0.451 477 A N 0.635 123.414 122.820 -0.069 0.000 2.251 477 A HA 0.104 4.427 4.320 0.004 0.000 0.209 477 A C 0.688 178.224 177.584 -0.080 0.000 1.187 477 A CA 0.013 52.017 52.037 -0.053 0.000 0.823 477 A CB -0.205 18.786 19.000 -0.015 0.000 0.846 477 A HN 0.136 nan 8.150 nan 0.000 0.486 478 M N 0.587 120.101 119.600 -0.142 0.000 2.200 478 M HA 0.155 4.637 4.480 0.004 0.000 0.355 478 M C 1.302 177.484 176.300 -0.196 0.000 1.283 478 M CA 0.450 55.637 55.300 -0.188 0.000 1.124 478 M CB 1.085 33.499 32.600 -0.310 0.000 1.625 478 M HN 0.390 nan 8.290 nan 0.000 0.463 479 T N -2.509 112.003 114.554 -0.070 0.000 2.955 479 T HA 0.266 4.619 4.350 0.004 0.000 0.251 479 T C 1.255 175.937 174.700 -0.029 0.000 1.002 479 T CA 0.357 62.428 62.100 -0.049 0.000 0.970 479 T CB 0.213 69.058 68.868 -0.038 0.000 1.091 479 T HN 0.979 nan 8.240 nan 0.000 0.495 480 G N 3.438 112.277 108.800 0.065 0.000 2.221 480 G HA2 -0.248 3.714 3.960 0.004 0.000 0.265 480 G HA3 -0.248 3.714 3.960 0.004 0.000 0.265 480 G C 0.253 175.190 174.900 0.062 0.000 1.041 480 G CA 0.468 45.594 45.100 0.043 0.000 0.807 480 G HN 0.778 nan 8.290 nan 0.000 0.502 481 D N -1.169 119.265 120.400 0.057 0.000 2.328 481 D HA 0.381 5.023 4.640 0.004 0.000 0.221 481 D C 1.789 178.139 176.300 0.083 0.000 1.072 481 D CA 0.535 54.568 54.000 0.056 0.000 0.850 481 D CB -0.322 40.494 40.800 0.027 0.000 0.922 481 D HN 1.500 nan 8.370 nan 0.000 0.516 482 G N 0.143 109.013 108.800 0.118 0.000 2.232 482 G HA2 -0.258 3.705 3.960 0.004 0.000 0.226 482 G HA3 -0.258 3.705 3.960 0.004 0.000 0.226 482 G C 0.402 175.366 174.900 0.106 0.000 0.996 482 G CA 0.191 45.361 45.100 0.118 0.000 0.626 482 G HN 0.801 nan 8.290 nan 0.000 0.509 483 S N 0.757 116.507 115.700 0.082 0.000 2.601 483 S HA 0.551 5.024 4.470 0.004 0.000 0.271 483 S C -0.445 174.202 174.600 0.078 0.000 1.305 483 S CA -0.351 57.891 58.200 0.069 0.000 1.022 483 S CB 1.754 64.978 63.200 0.041 0.000 0.940 483 S HN 0.158 nan 8.310 nan 0.000 0.525 484 D N 3.283 123.739 120.400 0.095 0.000 2.339 484 D HA 0.343 4.985 4.640 0.004 0.000 0.256 484 D C -2.184 174.152 176.300 0.061 0.000 1.214 484 D CA -1.070 53.005 54.000 0.125 0.000 0.877 484 D CB 0.525 41.445 40.800 0.199 0.000 1.111 484 D HN 0.409 nan 8.370 nan 0.000 0.478 485 P HA 0.037 nan 4.420 nan 0.000 0.268 485 P C -0.002 177.410 177.300 0.186 0.000 1.204 485 P CA -0.123 62.966 63.100 -0.019 0.000 0.768 485 P CB 0.522 32.072 31.700 -0.249 0.000 0.842 486 E N 3.002 123.247 120.200 0.075 0.000 2.319 486 E HA 0.499 4.852 4.350 0.004 0.000 0.268 486 E C -0.739 175.804 176.600 -0.096 0.000 1.050 486 E CA -0.690 55.676 56.400 -0.057 0.000 0.878 486 E CB 0.537 30.148 29.700 -0.149 0.000 1.066 486 E HN 0.368 nan 8.360 nan 0.000 0.406 487 F N -0.854 118.909 119.950 -0.311 0.000 2.611 487 F HA 0.602 5.131 4.527 0.003 0.000 0.324 487 F C -0.564 175.032 175.800 -0.339 0.000 1.061 487 F CA -1.558 56.107 58.000 -0.558 0.000 0.954 487 F CB 1.411 39.675 39.000 -1.227 0.000 1.301 487 F HN 0.366 nan 8.300 nan 0.000 0.482 488 K N 0.639 120.971 120.400 -0.112 0.000 2.138 488 K HA 0.548 4.870 4.320 0.004 0.000 0.263 488 K C -1.130 175.466 176.600 -0.006 0.000 0.965 488 K CA -0.480 55.737 56.287 -0.116 0.000 0.868 488 K CB 1.589 34.009 32.500 -0.133 0.000 1.083 488 K HN 0.894 nan 8.250 nan 0.000 0.443 489 T N 4.505 119.034 114.554 -0.042 0.000 2.771 489 T HA 0.346 4.699 4.350 0.004 0.000 0.281 489 T C -0.393 174.191 174.700 -0.193 0.000 0.982 489 T CA -0.597 61.471 62.100 -0.054 0.000 0.978 489 T CB 0.391 69.249 68.868 -0.015 0.000 0.930 489 T HN 0.388 nan 8.240 nan 0.000 0.447 490 L N 6.351 127.399 121.223 -0.291 0.000 2.265 490 L HA 0.368 4.710 4.340 0.004 0.000 0.289 490 L C -1.838 174.612 176.870 -0.700 0.000 1.033 490 L CA -2.238 52.270 54.840 -0.554 0.000 0.814 490 L CB 1.389 43.148 42.059 -0.499 0.000 1.203 490 L HN 0.370 nan 8.230 nan 0.000 0.423 491 P HA 0.071 nan 4.420 nan 0.000 0.230 491 P C 1.008 177.796 177.300 -0.853 0.000 1.791 491 P CA -0.313 62.359 63.100 -0.713 0.000 1.020 491 P CB 0.243 31.608 31.700 -0.560 0.000 1.977 492 I N 1.711 121.890 120.570 -0.652 0.000 2.118 492 I HA -0.268 3.904 4.170 0.004 0.000 0.241 492 I C 2.379 178.408 176.117 -0.147 0.000 1.070 492 I CA 1.782 62.861 61.300 -0.368 0.000 1.327 492 I CB -2.030 35.775 38.000 -0.325 0.000 1.034 492 I HN 0.166 nan 8.210 nan 0.000 0.405 493 A N 0.139 122.871 122.820 -0.147 0.000 1.933 493 A HA -0.244 4.078 4.320 0.004 0.000 0.218 493 A C 2.397 179.954 177.584 -0.044 0.000 1.175 493 A CA 1.828 53.824 52.037 -0.069 0.000 0.628 493 A CB -0.713 18.244 19.000 -0.071 0.000 0.814 493 A HN 0.550 nan 8.150 nan 0.000 0.444 494 E N -1.278 118.868 120.200 -0.089 0.000 2.077 494 E HA -0.224 4.129 4.350 0.004 0.000 0.193 494 E C 1.749 178.409 176.600 0.101 0.000 0.989 494 E CA 1.282 57.661 56.400 -0.034 0.000 0.800 494 E CB -0.212 29.431 29.700 -0.094 0.000 0.746 494 E HN 0.758 nan 8.360 nan 0.000 0.452 495 W N 0.418 121.670 121.300 -0.081 0.000 2.363 495 W HA -0.028 4.639 4.660 0.012 0.000 0.296 495 W C 2.331 178.788 176.519 -0.104 0.000 1.212 495 W CA 1.117 58.407 57.345 -0.093 0.000 1.260 495 W CB -0.955 28.443 29.460 -0.103 0.000 1.131 495 W HN 0.194 nan 8.180 nan 0.000 0.530 496 A N -0.401 122.499 122.820 0.134 0.000 2.168 496 A HA 0.308 4.631 4.320 0.004 0.000 0.215 496 A C 1.803 179.388 177.584 0.002 0.000 1.152 496 A CA 1.333 53.387 52.037 0.028 0.000 0.716 496 A CB -0.942 18.065 19.000 0.012 0.000 0.794 496 A HN 0.619 nan 8.150 nan 0.000 0.465 497 G N -0.828 107.984 108.800 0.020 0.000 2.246 497 G HA2 -0.221 3.741 3.960 0.004 0.000 0.273 497 G HA3 -0.221 3.741 3.960 0.004 0.000 0.273 497 G C -0.102 174.793 174.900 -0.008 0.000 1.055 497 G CA 0.448 45.548 45.100 0.001 0.000 0.851 497 G HN 0.537 nan 8.290 nan 0.000 0.500 498 I N 0.137 120.702 120.570 -0.008 0.000 2.389 498 I HA 0.435 4.608 4.170 0.004 0.000 0.288 498 I C 0.985 177.090 176.117 -0.020 0.000 0.999 498 I CA -0.573 60.719 61.300 -0.013 0.000 1.129 498 I CB 2.000 39.995 38.000 -0.009 0.000 1.288 498 I HN 0.050 nan 8.210 nan 0.000 0.444 499 T N 2.299 116.840 114.554 -0.021 0.000 2.964 499 T HA 0.039 4.392 4.350 0.004 0.000 0.250 499 T C 0.459 175.142 174.700 -0.028 0.000 0.982 499 T CA -0.231 61.853 62.100 -0.027 0.000 0.959 499 T CB 0.120 68.973 68.868 -0.024 0.000 1.141 499 T HN 0.704 nan 8.240 nan 0.000 0.494 500 E N 2.098 122.284 120.200 -0.024 0.000 2.415 500 E HA 0.423 4.775 4.350 0.004 0.000 0.263 500 E C 0.835 177.416 176.600 -0.032 0.000 0.995 500 E CA 0.079 56.464 56.400 -0.024 0.000 0.915 500 E CB 0.118 29.807 29.700 -0.018 0.000 0.951 500 E HN 0.333 nan 8.360 nan 0.000 0.449 501 G N 2.573 111.350 108.800 -0.038 0.000 2.750 501 G HA2 -0.347 3.616 3.960 0.004 0.000 0.228 501 G HA3 -0.347 3.616 3.960 0.004 0.000 0.228 501 G C -0.578 174.286 174.900 -0.061 0.000 1.367 501 G CA 0.075 45.144 45.100 -0.052 0.000 0.871 501 G HN 0.790 nan 8.290 nan 0.000 0.560 502 Q N 0.912 120.663 119.800 -0.082 0.000 2.560 502 Q HA 0.455 4.797 4.340 0.004 0.000 0.238 502 Q C -2.061 173.875 176.000 -0.105 0.000 1.079 502 Q CA -1.859 53.892 55.803 -0.086 0.000 0.866 502 Q CB 1.125 29.808 28.738 -0.092 0.000 1.153 502 Q HN 0.584 nan 8.270 nan 0.000 0.530 503 P HA 0.031 nan 4.420 nan 0.000 0.268 503 P C -1.007 176.258 177.300 -0.058 0.000 1.205 503 P CA 0.141 63.202 63.100 -0.064 0.000 0.771 503 P CB 0.775 32.461 31.700 -0.024 0.000 0.858 504 R N 1.657 122.131 120.500 -0.043 0.000 2.393 504 R HA 0.457 4.800 4.340 0.004 0.000 0.315 504 R C -0.518 175.868 176.300 0.143 0.000 0.952 504 R CA -1.104 55.003 56.100 0.012 0.000 0.842 504 R CB 1.664 31.931 30.300 -0.055 0.000 1.163 504 R HN 0.272 nan 8.270 nan 0.000 0.450 505 V N 4.006 123.979 119.914 0.099 0.000 2.530 505 V HA 0.273 4.396 4.120 0.004 0.000 0.282 505 V C -0.021 176.203 176.094 0.217 0.000 1.048 505 V CA -0.234 62.142 62.300 0.127 0.000 0.997 505 V CB 1.458 33.278 31.823 -0.006 0.000 0.987 505 V HN 0.497 nan 8.190 nan 0.000 0.477 506 V N 5.496 125.580 119.914 0.282 0.000 2.932 506 V HA 0.527 4.650 4.120 0.004 0.000 0.307 506 V C -0.489 175.751 176.094 0.243 0.000 1.147 506 V CA -0.379 62.112 62.300 0.318 0.000 0.951 506 V CB 1.751 33.779 31.823 0.343 0.000 1.031 506 V HN 1.064 nan 8.190 nan 0.000 0.426 507 Q N 3.074 123.037 119.800 0.272 0.000 2.588 507 Q HA -0.135 4.208 4.340 0.004 0.000 0.234 507 Q C -0.081 175.817 176.000 -0.170 0.000 1.382 507 Q CA 0.848 56.609 55.803 -0.070 0.000 0.700 507 Q CB -0.861 27.484 28.738 -0.654 0.000 0.808 507 Q HN 1.459 nan 8.270 nan 0.000 0.310 508 G N 3.044 111.735 108.800 -0.182 0.000 2.444 508 G HA2 0.419 4.382 3.960 0.004 0.000 0.268 508 G HA3 0.419 4.382 3.960 0.004 0.000 0.268 508 G C -0.651 173.984 174.900 -0.442 0.000 1.203 508 G CA 0.137 44.755 45.100 -0.804 0.000 0.835 508 G HN 0.553 nan 8.290 nan 0.000 0.543 509 E N 0.562 120.481 120.200 -0.468 0.000 2.311 509 E HA 0.493 4.845 4.350 0.004 0.000 0.281 509 E C -1.361 175.195 176.600 -0.074 0.000 0.905 509 E CA -0.682 55.632 56.400 -0.144 0.000 0.778 509 E CB 0.900 30.518 29.700 -0.135 0.000 1.240 509 E HN 0.240 nan 8.360 nan 0.000 0.410 510 F N 2.737 122.700 119.950 0.022 0.000 2.370 510 F HA 0.367 4.895 4.527 0.001 0.000 0.319 510 F C 1.307 177.152 175.800 0.075 0.000 1.129 510 F CA -0.314 57.726 58.000 0.066 0.000 1.109 510 F CB 0.605 39.635 39.000 0.050 0.000 1.262 510 F HN 0.551 nan 8.300 nan 0.000 0.534 511 N N 0.876 119.789 118.700 0.355 0.000 2.405 511 N HA 0.095 4.837 4.740 0.004 0.000 0.269 511 N C 0.689 176.262 175.510 0.106 0.000 1.249 511 N CA -0.586 52.615 53.050 0.252 0.000 0.974 511 N CB 0.199 38.906 38.487 0.366 0.000 1.204 511 N HN 0.666 nan 8.380 nan 0.000 0.565 512 K N -0.810 119.623 120.400 0.055 0.000 2.074 512 K HA -0.190 4.133 4.320 0.004 0.000 0.209 512 K C 0.025 176.621 176.600 -0.005 0.000 1.048 512 K CA 1.807 58.108 56.287 0.023 0.000 0.926 512 K CB -0.152 32.300 32.500 -0.080 0.000 0.713 512 K HN 0.487 nan 8.250 nan 0.000 0.444 513 D N -0.845 119.544 120.400 -0.018 0.000 2.348 513 D HA 0.055 4.698 4.640 0.004 0.000 0.211 513 D C 0.860 177.068 176.300 -0.153 0.000 0.998 513 D CA 1.021 55.005 54.000 -0.028 0.000 0.873 513 D CB 0.462 41.270 40.800 0.012 0.000 0.925 513 D HN 0.533 nan 8.370 nan 0.000 0.524 514 G N 1.184 109.775 108.800 -0.348 0.000 2.176 514 G HA2 -0.313 3.650 3.960 0.004 0.000 0.252 514 G HA3 -0.313 3.650 3.960 0.004 0.000 0.252 514 G C 1.089 176.021 174.900 0.053 0.000 1.024 514 G CA 1.090 45.822 45.100 -0.612 0.000 0.755 514 G HN 0.409 nan 8.290 nan 0.000 0.507 515 T N -3.383 111.261 114.554 0.151 0.000 3.037 515 T HA 0.445 4.797 4.350 0.004 0.000 0.251 515 T C 0.575 175.424 174.700 0.248 0.000 1.079 515 T CA 0.976 63.196 62.100 0.201 0.000 1.067 515 T CB 0.776 69.730 68.868 0.143 0.000 0.948 515 T HN 0.548 nan 8.240 nan 0.000 0.496 516 E N 0.171 120.533 120.200 0.271 0.000 2.340 516 E HA 0.642 4.994 4.350 0.004 0.000 0.273 516 E C -1.955 174.698 176.600 0.088 0.000 0.891 516 E CA -0.979 55.546 56.400 0.208 0.000 0.757 516 E CB 3.307 33.175 29.700 0.281 0.000 1.231 516 E HN 0.053 nan 8.360 nan 0.000 0.439 517 V N 2.598 122.417 119.914 -0.159 0.000 2.588 517 V HA 0.522 4.645 4.120 0.004 0.000 0.304 517 V C -1.698 174.247 176.094 -0.248 0.000 1.042 517 V CA -0.488 61.472 62.300 -0.568 0.000 0.877 517 V CB 0.792 31.748 31.823 -1.445 0.000 0.996 517 V HN 0.591 nan 8.190 nan 0.000 0.425 518 W N 5.508 126.424 121.300 -0.641 0.000 2.512 518 W HA 0.770 5.430 4.660 0.000 0.000 0.335 518 W C -0.662 175.407 176.519 -0.751 0.000 1.088 518 W CA -0.994 56.039 57.345 -0.520 0.000 1.236 518 W CB 1.191 30.370 29.460 -0.467 0.000 1.307 518 W HN 0.394 nan 8.180 nan 0.000 0.567 519 F N 0.771 120.725 119.950 0.007 0.000 2.588 519 F HA 0.458 4.986 4.527 0.002 0.000 0.310 519 F C 0.301 176.096 175.800 -0.009 0.000 1.082 519 F CA -1.055 56.935 58.000 -0.017 0.000 0.929 519 F CB 1.798 40.779 39.000 -0.032 0.000 1.254 519 F HN -0.032 nan 8.300 nan 0.000 0.455 520 S N 1.225 117.033 115.700 0.181 0.000 2.508 520 S HA 0.568 5.041 4.470 0.004 0.000 0.284 520 S C -0.620 174.080 174.600 0.167 0.000 1.192 520 S CA -0.667 57.605 58.200 0.120 0.000 1.070 520 S CB 1.479 64.706 63.200 0.045 0.000 1.004 520 S HN 0.323 nan 8.310 nan 0.000 0.493 521 V N 4.173 124.170 119.914 0.138 0.000 2.239 521 V HA 0.185 4.308 4.120 0.004 0.000 0.267 521 V C -0.711 175.504 176.094 0.201 0.000 1.056 521 V CA -0.723 61.658 62.300 0.135 0.000 0.830 521 V CB -0.074 31.790 31.823 0.068 0.000 1.090 521 V HN 0.901 nan 8.190 nan 0.000 0.459 522 W N 6.069 127.380 121.300 0.019 0.000 2.546 522 W HA 0.412 5.074 4.660 0.004 0.000 0.323 522 W C -0.086 176.440 176.519 0.012 0.000 1.272 522 W CA -0.401 56.954 57.345 0.018 0.000 1.404 522 W CB 0.207 29.683 29.460 0.027 0.000 1.411 522 W HN 0.462 nan 8.180 nan 0.000 0.480 523 N N 2.677 121.492 118.700 0.191 0.000 2.545 523 N HA 0.606 5.349 4.740 0.004 0.000 0.289 523 N C -0.028 175.500 175.510 0.030 0.000 1.279 523 N CA -0.358 52.691 53.050 -0.002 0.000 0.824 523 N CB 1.517 40.017 38.487 0.022 0.000 1.395 523 N HN 0.453 nan 8.380 nan 0.000 0.526 524 G N 0.203 108.987 108.800 -0.027 0.000 2.614 524 G HA2 0.016 3.979 3.960 0.004 0.000 0.239 524 G HA3 0.016 3.979 3.960 0.004 0.000 0.239 524 G C 0.898 175.845 174.900 0.078 0.000 1.240 524 G CA -0.123 44.988 45.100 0.017 0.000 0.842 524 G HN 0.719 nan 8.290 nan 0.000 0.584 525 K N -0.503 119.957 120.400 0.100 0.000 2.160 525 K HA -0.134 4.188 4.320 0.004 0.000 0.206 525 K C 0.693 177.337 176.600 0.073 0.000 1.047 525 K CA 1.834 58.184 56.287 0.105 0.000 0.930 525 K CB 0.082 32.651 32.500 0.115 0.000 0.720 525 K HN 0.452 nan 8.250 nan 0.000 0.450 526 D N 0.175 120.606 120.400 0.053 0.000 2.402 526 D HA 0.058 4.701 4.640 0.004 0.000 0.216 526 D C 0.076 176.393 176.300 0.027 0.000 1.128 526 D CA 0.179 54.202 54.000 0.038 0.000 0.833 526 D CB 0.595 41.413 40.800 0.031 0.000 0.971 526 D HN 0.232 nan 8.370 nan 0.000 0.503 527 Q N 0.267 120.084 119.800 0.029 0.000 2.286 527 Q HA 0.313 4.656 4.340 0.004 0.000 0.250 527 Q C -0.138 175.878 176.000 0.027 0.000 1.021 527 Q CA -0.496 55.317 55.803 0.018 0.000 0.930 527 Q CB 1.779 30.519 28.738 0.004 0.000 1.266 527 Q HN 0.068 nan 8.270 nan 0.000 0.491 528 E N 0.402 120.613 120.200 0.018 0.000 2.200 528 E HA 0.341 4.693 4.350 0.004 0.000 0.283 528 E C -0.985 175.634 176.600 0.031 0.000 1.015 528 E CA -0.023 56.389 56.400 0.021 0.000 0.819 528 E CB 0.862 30.566 29.700 0.007 0.000 1.081 528 E HN 0.394 nan 8.360 nan 0.000 0.397 529 S N 1.504 117.231 115.700 0.044 0.000 2.726 529 S HA 0.951 5.424 4.470 0.004 0.000 0.308 529 S C -1.080 173.542 174.600 0.035 0.000 1.115 529 S CA -0.439 57.798 58.200 0.062 0.000 0.965 529 S CB 1.851 65.115 63.200 0.106 0.000 1.145 529 S HN 0.723 nan 8.310 nan 0.000 0.532 530 A N 0.411 123.252 122.820 0.036 0.000 2.540 530 A HA 0.735 5.058 4.320 0.004 0.000 0.291 530 A C -2.265 175.319 177.584 -0.001 0.000 1.083 530 A CA -0.677 51.359 52.037 -0.001 0.000 0.650 530 A CB 0.649 19.632 19.000 -0.028 0.000 1.292 530 A HN 0.614 nan 8.150 nan 0.000 0.435 531 L N 0.606 121.795 121.223 -0.057 0.000 2.362 531 L HA 0.675 5.017 4.340 0.004 0.000 0.275 531 L C -1.053 175.706 176.870 -0.184 0.000 0.998 531 L CA -1.050 53.737 54.840 -0.087 0.000 0.820 531 L CB 1.942 43.930 42.059 -0.119 0.000 1.270 531 L HN 0.464 nan 8.230 nan 0.000 0.415 532 V N 3.716 123.552 119.914 -0.129 0.000 2.448 532 V HA 0.412 4.534 4.120 0.004 0.000 0.295 532 V C -0.127 175.818 176.094 -0.248 0.000 1.025 532 V CA -0.650 61.565 62.300 -0.142 0.000 0.859 532 V CB 2.301 34.156 31.823 0.055 0.000 0.988 532 V HN 0.410 nan 8.190 nan 0.000 0.431 533 V N 5.816 125.458 119.914 -0.453 0.000 2.398 533 V HA 0.494 4.616 4.120 0.004 0.000 0.286 533 V C -0.117 175.835 176.094 -0.237 0.000 1.026 533 V CA -0.519 61.438 62.300 -0.572 0.000 0.868 533 V CB 1.741 32.967 31.823 -0.995 0.000 0.982 533 V HN 0.601 nan 8.190 nan 0.000 0.443 534 V N 3.646 123.517 119.914 -0.072 0.000 2.513 534 V HA 0.344 4.467 4.120 0.004 0.000 0.299 534 V C 0.095 176.218 176.094 0.049 0.000 1.035 534 V CA -0.695 61.637 62.300 0.052 0.000 0.889 534 V CB 1.955 33.923 31.823 0.243 0.000 0.988 534 V HN 0.908 nan 8.190 nan 0.000 0.440 535 D N 2.864 123.297 120.400 0.055 0.000 2.338 535 D HA 0.000 4.643 4.640 0.004 0.000 0.255 535 D C 0.718 177.130 176.300 0.185 0.000 1.237 535 D CA 0.036 54.096 54.000 0.100 0.000 0.883 535 D CB 1.401 42.239 40.800 0.063 0.000 1.087 535 D HN 0.774 nan 8.370 nan 0.000 0.485 536 D N 3.733 124.285 120.400 0.253 0.000 2.149 536 D HA -0.173 4.470 4.640 0.004 0.000 0.198 536 D C 1.551 178.117 176.300 0.444 0.000 0.990 536 D CA 1.460 55.712 54.000 0.420 0.000 0.839 536 D CB 0.382 41.498 40.800 0.527 0.000 0.948 536 D HN 0.371 nan 8.370 nan 0.000 0.460 537 K N -1.128 119.461 120.400 0.316 0.000 2.155 537 K HA -0.030 4.292 4.320 0.004 0.000 0.203 537 K C 1.939 178.699 176.600 0.265 0.000 1.052 537 K CA 1.557 58.020 56.287 0.293 0.000 0.948 537 K CB 0.059 32.673 32.500 0.189 0.000 0.728 537 K HN 0.296 nan 8.250 nan 0.000 0.448 538 T N -2.144 112.521 114.554 0.185 0.000 3.001 538 T HA 0.235 4.588 4.350 0.004 0.000 0.251 538 T C 0.817 175.567 174.700 0.084 0.000 1.040 538 T CA -0.354 61.819 62.100 0.122 0.000 0.985 538 T CB 0.016 68.929 68.868 0.075 0.000 1.011 538 T HN 0.155 nan 8.240 nan 0.000 0.509 539 L N 0.529 121.810 121.223 0.096 0.000 4.089 539 L HA -0.169 4.173 4.340 0.004 0.000 0.408 539 L C -0.319 176.652 176.870 0.168 0.000 1.184 539 L CA 0.472 55.367 54.840 0.091 0.000 0.947 539 L CB -1.949 40.068 42.059 -0.071 0.000 2.066 539 L HN 0.524 nan 8.230 nan 0.000 0.851 540 E N 0.079 120.321 120.200 0.069 0.000 2.222 540 E HA 0.539 4.892 4.350 0.004 0.000 0.267 540 E C -0.245 176.168 176.600 -0.311 0.000 0.963 540 E CA -1.251 55.088 56.400 -0.101 0.000 0.837 540 E CB 2.158 31.788 29.700 -0.118 0.000 1.183 540 E HN 0.090 nan 8.360 nan 0.000 0.403 541 L N 2.190 122.903 121.223 -0.849 0.000 2.499 541 L HA 0.010 4.353 4.340 0.004 0.000 0.273 541 L C 0.699 177.316 176.870 -0.421 0.000 1.195 541 L CA 0.786 55.117 54.840 -0.848 0.000 0.882 541 L CB 0.554 41.838 42.059 -1.291 0.000 1.133 541 L HN 0.486 nan 8.230 nan 0.000 0.483 542 K N 2.740 122.963 120.400 -0.296 0.000 2.286 542 K HA 0.193 4.515 4.320 0.004 0.000 0.203 542 K C -0.520 175.955 176.600 -0.207 0.000 1.078 542 K CA 0.588 56.753 56.287 -0.203 0.000 0.957 542 K CB 0.105 32.514 32.500 -0.151 0.000 1.018 542 K HN 0.836 nan 8.250 nan 0.000 0.484 543 H N -1.586 117.203 119.070 -0.470 0.000 3.094 543 H HA 0.473 5.031 4.556 0.005 0.000 0.346 543 H C -1.995 173.043 175.328 -0.484 0.000 1.238 543 H CA -0.771 54.964 56.048 -0.522 0.000 1.209 543 H CB 1.561 30.794 29.762 -0.881 0.000 1.911 543 H HN -0.164 nan 8.280 nan 0.000 0.540 544 V N 5.590 125.029 119.914 -0.791 0.000 2.409 544 V HA 0.369 4.491 4.120 0.004 0.000 0.291 544 V C -0.008 175.772 176.094 -0.523 0.000 1.020 544 V CA -0.547 61.454 62.300 -0.500 0.000 0.848 544 V CB 1.263 32.883 31.823 -0.338 0.000 0.990 544 V HN 0.566 nan 8.190 nan 0.000 0.430 545 I N 5.291 125.684 120.570 -0.295 0.000 2.321 545 I HA 0.492 4.665 4.170 0.004 0.000 0.291 545 I C 0.032 176.087 176.117 -0.104 0.000 0.998 545 I CA -0.281 60.930 61.300 -0.149 0.000 1.227 545 I CB 1.050 38.974 38.000 -0.127 0.000 1.368 545 I HN 0.494 nan 8.210 nan 0.000 0.466 546 K N 5.131 125.488 120.400 -0.072 0.000 2.468 546 K HA 0.514 4.837 4.320 0.004 0.000 0.252 546 K C -1.490 175.101 176.600 -0.015 0.000 0.932 546 K CA -0.843 55.419 56.287 -0.042 0.000 0.794 546 K CB 2.649 35.116 32.500 -0.055 0.000 1.241 546 K HN 0.513 nan 8.250 nan 0.000 0.428 547 D N 1.399 121.800 120.400 0.001 0.000 2.769 547 D HA 0.033 4.675 4.640 0.004 0.000 0.219 547 D C 0.142 176.453 176.300 0.018 0.000 1.245 547 D CA -0.265 53.742 54.000 0.012 0.000 0.801 547 D CB 1.793 42.606 40.800 0.020 0.000 1.598 547 D HN 0.402 nan 8.370 nan 0.000 0.485 548 E N 1.467 121.679 120.200 0.019 0.000 2.160 548 E HA -0.146 4.206 4.350 0.004 0.000 0.195 548 E C 1.550 178.169 176.600 0.031 0.000 0.991 548 E CA 1.070 57.484 56.400 0.023 0.000 0.810 548 E CB 0.075 29.788 29.700 0.022 0.000 0.742 548 E HN 0.439 nan 8.360 nan 0.000 0.466 549 R N -0.042 120.478 120.500 0.033 0.000 2.235 549 R HA 0.003 4.346 4.340 0.004 0.000 0.213 549 R C 0.864 177.190 176.300 0.043 0.000 1.059 549 R CA -0.034 56.090 56.100 0.039 0.000 0.997 549 R CB -0.117 30.206 30.300 0.039 0.000 0.884 549 R HN -0.028 nan 8.270 nan 0.000 0.462 550 L N 2.082 123.329 121.223 0.040 0.000 2.382 550 L HA 0.102 4.444 4.340 0.004 0.000 0.259 550 L C -0.783 176.118 176.870 0.050 0.000 1.291 550 L CA 0.172 55.038 54.840 0.043 0.000 1.176 550 L CB 0.442 42.523 42.059 0.035 0.000 1.373 550 L HN -0.211 nan 8.230 nan 0.000 0.426 551 V N 2.904 122.851 119.914 0.056 0.000 2.439 551 V HA 0.246 4.368 4.120 0.004 0.000 0.282 551 V C 0.774 176.916 176.094 0.081 0.000 1.039 551 V CA -0.094 62.249 62.300 0.072 0.000 0.913 551 V CB 1.144 33.012 31.823 0.074 0.000 0.983 551 V HN 0.844 nan 8.190 nan 0.000 0.460 552 T N 3.980 118.614 114.554 0.133 0.000 3.361 552 T HA -0.121 4.232 4.350 0.004 0.000 0.417 552 T C -1.721 172.986 174.700 0.011 0.000 0.769 552 T CA -0.050 62.167 62.100 0.196 0.000 2.085 552 T CB -1.676 67.339 68.868 0.245 0.000 1.689 552 T HN 0.585 nan 8.240 nan 0.000 0.639 553 P HA 0.255 nan 4.420 nan 0.000 0.276 553 P C 0.909 178.074 177.300 -0.226 0.000 1.243 553 P CA -0.026 63.032 63.100 -0.072 0.000 0.768 553 P CB 1.640 33.343 31.700 0.005 0.000 0.856 554 T N 0.803 115.158 114.554 -0.332 0.000 2.964 554 T HA 0.351 4.704 4.350 0.004 0.000 0.161 554 T C 1.026 175.519 174.700 -0.345 0.000 0.859 554 T CA 0.119 61.925 62.100 -0.490 0.000 1.015 554 T CB -0.843 67.553 68.868 -0.788 0.000 2.138 554 T HN 0.331 nan 8.240 nan 0.000 0.367 555 G N 2.112 110.709 108.800 -0.338 0.000 2.398 555 G HA2 0.495 4.457 3.960 0.004 0.000 0.246 555 G HA3 0.495 4.457 3.960 0.004 0.000 0.246 555 G C -0.974 173.655 174.900 -0.452 0.000 1.289 555 G CA -0.418 44.435 45.100 -0.411 0.000 0.869 555 G HN 0.651 nan 8.290 nan 0.000 0.543 556 K N 0.822 120.742 120.400 -0.800 0.000 2.427 556 K HA 0.513 4.836 4.320 0.004 0.000 0.252 556 K C -1.586 174.459 176.600 -0.926 0.000 0.931 556 K CA -0.499 55.484 56.287 -0.507 0.000 0.793 556 K CB 2.363 34.758 32.500 -0.176 0.000 1.211 556 K HN 0.366 nan 8.250 nan 0.000 0.426 557 F N 1.410 121.331 119.950 -0.048 0.000 2.579 557 F HA 0.244 4.774 4.527 0.005 0.000 0.325 557 F C 0.161 175.766 175.800 -0.325 0.000 1.162 557 F CA -0.966 56.950 58.000 -0.141 0.000 0.946 557 F CB 1.461 40.412 39.000 -0.081 0.000 1.211 557 F HN 0.452 nan 8.300 nan 0.000 0.447 558 N N 2.513 120.941 118.700 -0.453 0.000 2.497 558 N HA 0.097 4.840 4.740 0.004 0.000 0.268 558 N C 0.963 176.321 175.510 -0.254 0.000 1.171 558 N CA 0.007 52.570 53.050 -0.812 0.000 0.948 558 N CB 1.545 39.474 38.487 -0.930 0.000 1.069 558 N HN 0.473 nan 8.380 nan 0.000 0.460 559 V N 4.666 124.474 119.914 -0.177 0.000 2.231 559 V HA -0.290 3.832 4.120 0.004 0.000 0.248 559 V C 1.817 177.932 176.094 0.034 0.000 1.054 559 V CA 1.812 64.104 62.300 -0.015 0.000 1.015 559 V CB -1.097 30.750 31.823 0.039 0.000 0.638 559 V HN 0.755 nan 8.190 nan 0.000 0.444 560 Y N 1.650 121.927 120.300 -0.040 0.000 2.128 560 Y HA -0.238 4.317 4.550 0.008 0.000 0.284 560 Y C 2.542 178.470 175.900 0.047 0.000 1.154 560 Y CA 2.144 60.253 58.100 0.015 0.000 1.149 560 Y CB -0.314 38.161 38.460 0.024 0.000 0.976 560 Y HN 0.308 nan 8.280 nan 0.000 0.505 561 N N -0.921 117.855 118.700 0.126 0.000 2.309 561 N HA -0.117 4.625 4.740 0.004 0.000 0.182 561 N C 1.619 177.189 175.510 0.101 0.000 1.018 561 N CA 1.680 54.808 53.050 0.131 0.000 0.876 561 N CB -0.440 38.181 38.487 0.224 0.000 0.972 561 N HN 0.402 nan 8.380 nan 0.000 0.434 562 T N 1.627 116.222 114.554 0.068 0.000 2.894 562 T HA -0.003 4.349 4.350 0.004 0.000 0.258 562 T C 2.042 176.757 174.700 0.026 0.000 1.043 562 T CA 0.849 63.002 62.100 0.090 0.000 1.141 562 T CB -0.072 68.840 68.868 0.074 0.000 0.873 562 T HN 0.372 nan 8.240 nan 0.000 0.449 563 M N 1.955 121.530 119.600 -0.042 0.000 2.296 563 M HA 0.007 4.489 4.480 0.004 0.000 0.265 563 M C 2.019 178.253 176.300 -0.109 0.000 1.064 563 M CA 1.721 56.980 55.300 -0.068 0.000 1.109 563 M CB -0.979 31.577 32.600 -0.075 0.000 1.396 563 M HN 0.211 nan 8.290 nan 0.000 0.430 564 T N -4.137 110.306 114.554 -0.184 0.000 3.040 564 T HA 0.147 4.499 4.350 0.004 0.000 0.250 564 T C -0.003 174.663 174.700 -0.057 0.000 1.058 564 T CA 0.066 62.066 62.100 -0.167 0.000 0.988 564 T CB -0.223 68.428 68.868 -0.361 0.000 0.993 564 T HN 0.463 nan 8.240 nan 0.000 0.519 565 D N 1.187 121.604 120.400 0.029 0.000 2.716 565 D HA -0.105 4.537 4.640 0.004 0.000 0.239 565 D C -0.754 175.485 176.300 -0.101 0.000 1.125 565 D CA 0.848 54.905 54.000 0.094 0.000 0.681 565 D CB -1.956 38.844 40.800 0.000 0.000 1.070 565 D HN 0.429 nan 8.370 nan 0.000 0.432 566 T N 1.259 115.823 114.554 0.018 0.000 2.811 566 T HA 0.510 4.862 4.350 0.004 0.000 0.309 566 T C -0.042 174.707 174.700 0.083 0.000 1.005 566 T CA -0.391 61.686 62.100 -0.038 0.000 0.955 566 T CB 0.330 69.214 68.868 0.027 0.000 0.970 566 T HN 0.275 nan 8.240 nan 0.000 0.496 567 Y N 0.000 120.375 120.300 0.125 0.000 2.660 567 Y HA 0.000 4.552 4.550 0.003 0.000 0.201 567 Y CA 0.000 58.191 58.100 0.152 0.000 1.940 567 Y CB 0.000 38.592 38.460 0.219 0.000 1.050 567 Y HN 0.000 nan 8.280 nan 0.000 0.758