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 1e2r_1_A DATA FIRST_RESID 36 DATA SEQUENCE DVAAPGAPEG VTALSDAQYN EANKIYFERC AGCHGVLRKG ATGKALTPDL DATA SEQUENCE TRDLGFDYLQ SFITYASPAG MPNWGTSGEL SAEQVDLMAN YLLLDPAAPP DATA SEQUENCE EFGMKEMRES WKVHVAPEDR PTQQENDWDL 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 0.000 176.371 176.300 0.119 0.000 2.045 36 D CA 0.000 54.062 54.000 0.104 0.000 0.868 36 D CB 0.000 40.857 40.800 0.095 0.000 0.688 37 V N -1.844 118.170 119.914 0.167 0.000 2.732 37 V HA 0.896 5.019 4.120 0.005 0.000 0.310 37 V C 0.169 176.350 176.094 0.146 0.000 1.053 37 V CA -0.819 61.586 62.300 0.175 0.000 0.957 37 V CB 1.431 33.413 31.823 0.265 0.000 1.018 37 V HN 0.728 nan 8.190 nan 0.000 0.452 38 A N 3.126 125.991 122.820 0.074 0.000 2.395 38 A HA 0.714 5.037 4.320 0.005 0.000 0.286 38 A C 0.826 178.352 177.584 -0.096 0.000 1.193 38 A CA 0.182 52.224 52.037 0.008 0.000 0.852 38 A CB -0.521 18.475 19.000 -0.007 0.000 1.118 38 A HN 2.097 nan 8.150 nan 0.000 0.524 39 A N 5.515 128.250 122.820 -0.143 0.000 2.546 39 A HA 0.482 4.805 4.320 0.005 0.000 0.243 39 A C -1.471 175.868 177.584 -0.408 0.000 1.063 39 A CA -0.624 51.143 52.037 -0.449 0.000 0.757 39 A CB -0.438 18.437 19.000 -0.210 0.000 0.991 39 A HN 0.743 nan 8.150 nan 0.000 0.503 40 P HA 0.373 nan 4.420 nan 0.000 0.279 40 P C 0.319 177.480 177.300 -0.232 0.000 1.252 40 P CA -0.051 62.850 63.100 -0.332 0.000 0.811 40 P CB 1.055 32.545 31.700 -0.350 0.000 1.035 41 G N 0.194 108.907 108.800 -0.146 0.000 2.537 41 G HA2 0.497 4.460 3.960 0.005 0.000 0.273 41 G HA3 0.497 4.460 3.960 0.005 0.000 0.273 41 G C -0.704 174.141 174.900 -0.091 0.000 1.189 41 G CA -0.499 44.540 45.100 -0.101 0.000 0.881 41 G HN 0.668 nan 8.290 nan 0.000 0.535 42 A N 1.890 124.671 122.820 -0.065 0.000 2.292 42 A HA 0.772 5.095 4.320 0.005 0.000 0.319 42 A C -1.396 176.162 177.584 -0.042 0.000 1.206 42 A CA -1.176 50.831 52.037 -0.051 0.000 0.835 42 A CB 0.864 19.842 19.000 -0.036 0.000 1.164 42 A HN 0.627 nan 8.150 nan 0.000 0.505 43 P HA 0.198 nan 4.420 nan 0.000 0.297 43 P C -0.572 176.712 177.300 -0.027 0.000 1.303 43 P CA -0.526 62.554 63.100 -0.033 0.000 0.753 43 P CB 0.374 32.054 31.700 -0.033 0.000 1.281 44 E N -0.338 119.848 120.200 -0.023 0.000 2.585 44 E HA 0.151 4.504 4.350 0.005 0.000 0.252 44 E C 1.271 177.861 176.600 -0.017 0.000 0.981 44 E CA 1.404 57.792 56.400 -0.019 0.000 0.943 44 E CB -0.431 29.259 29.700 -0.017 0.000 0.923 44 E HN 0.810 nan 8.360 nan 0.000 0.486 45 G N 2.137 110.926 108.800 -0.018 0.000 2.383 45 G HA2 -0.342 3.621 3.960 0.005 0.000 0.229 45 G HA3 -0.342 3.621 3.960 0.005 0.000 0.229 45 G C 0.475 175.362 174.900 -0.022 0.000 1.089 45 G CA 0.204 45.294 45.100 -0.017 0.000 0.640 45 G HN 0.621 nan 8.290 nan 0.000 0.510 46 V N 0.074 119.977 119.914 -0.018 0.000 2.732 46 V HA 0.756 4.879 4.120 0.005 0.000 0.297 46 V C 0.602 176.678 176.094 -0.030 0.000 1.060 46 V CA 0.091 62.381 62.300 -0.017 0.000 1.038 46 V CB 1.306 33.127 31.823 -0.002 0.000 1.003 46 V HN 0.364 nan 8.190 nan 0.000 0.481 47 T N 3.675 118.205 114.554 -0.040 0.000 2.889 47 T HA 0.642 4.995 4.350 0.005 0.000 0.291 47 T C 0.331 175.024 174.700 -0.012 0.000 0.995 47 T CA 0.385 62.459 62.100 -0.042 0.000 1.092 47 T CB 1.288 70.106 68.868 -0.083 0.000 0.954 47 T HN 1.316 nan 8.240 nan 0.000 0.506 48 A N 3.138 125.951 122.820 -0.012 0.000 2.293 48 A HA 0.766 5.089 4.320 0.005 0.000 0.302 48 A C -0.451 177.150 177.584 0.029 0.000 1.119 48 A CA -0.664 51.372 52.037 -0.000 0.000 0.823 48 A CB 0.343 19.332 19.000 -0.019 0.000 1.097 48 A HN 0.812 nan 8.150 nan 0.000 0.491 49 L N 1.399 122.660 121.223 0.063 0.000 2.334 49 L HA 0.449 4.792 4.340 0.005 0.000 0.273 49 L C 0.889 177.813 176.870 0.091 0.000 1.013 49 L CA -0.707 54.197 54.840 0.106 0.000 0.816 49 L CB 2.097 44.283 42.059 0.213 0.000 1.278 49 L HN 0.922 nan 8.230 nan 0.000 0.431 50 S N -0.574 115.175 115.700 0.082 0.000 2.589 50 S HA 0.047 4.520 4.470 0.005 0.000 0.265 50 S C 0.555 175.219 174.600 0.107 0.000 1.342 50 S CA -0.612 57.628 58.200 0.067 0.000 1.005 50 S CB 0.779 64.011 63.200 0.052 0.000 0.909 50 S HN 0.625 nan 8.310 nan 0.000 0.555 51 D N 1.494 121.945 120.400 0.084 0.000 2.149 51 D HA -0.097 4.546 4.640 0.005 0.000 0.198 51 D C 2.153 178.535 176.300 0.136 0.000 0.990 51 D CA 1.715 55.783 54.000 0.114 0.000 0.839 51 D CB -0.998 39.845 40.800 0.072 0.000 0.948 51 D HN 0.675 nan 8.370 nan 0.000 0.460 52 A N 1.157 124.032 122.820 0.093 0.000 1.845 52 A HA -0.251 4.072 4.320 0.005 0.000 0.215 52 A C 2.218 179.848 177.584 0.077 0.000 1.195 52 A CA 1.634 53.715 52.037 0.073 0.000 0.616 52 A CB -0.773 18.257 19.000 0.050 0.000 0.832 52 A HN 0.187 nan 8.150 nan 0.000 0.443 53 Q N -2.008 117.842 119.800 0.084 0.000 2.061 53 Q HA -0.230 4.113 4.340 0.005 0.000 0.204 53 Q C 2.086 178.139 176.000 0.088 0.000 0.984 53 Q CA 1.977 57.825 55.803 0.074 0.000 0.846 53 Q CB -0.423 28.366 28.738 0.085 0.000 0.902 53 Q HN 0.786 nan 8.270 nan 0.000 0.421 54 Y N 1.913 122.252 120.300 0.065 0.000 2.097 54 Y HA -0.267 4.286 4.550 0.005 0.000 0.282 54 Y C 1.963 177.929 175.900 0.110 0.000 1.152 54 Y CA 1.638 59.807 58.100 0.115 0.000 1.136 54 Y CB -0.236 38.284 38.460 0.100 0.000 0.975 54 Y HN 0.137 nan 8.280 nan 0.000 0.498 55 N N 0.300 119.075 118.700 0.126 0.000 2.223 55 N HA -0.212 4.531 4.740 0.005 0.000 0.185 55 N C 1.883 177.363 175.510 -0.050 0.000 1.016 55 N CA 1.480 54.565 53.050 0.059 0.000 0.863 55 N CB -0.283 38.277 38.487 0.121 0.000 0.983 55 N HN 0.615 nan 8.380 nan 0.000 0.429 56 E N 0.908 121.073 120.200 -0.058 0.000 2.047 56 E HA -0.098 4.255 4.350 0.005 0.000 0.191 56 E C 1.844 178.325 176.600 -0.199 0.000 0.987 56 E CA 0.969 57.316 56.400 -0.088 0.000 0.799 56 E CB 0.017 29.685 29.700 -0.054 0.000 0.752 56 E HN 0.282 nan 8.360 nan 0.000 0.449 57 A N 0.968 123.612 122.820 -0.294 0.000 1.969 57 A HA -0.203 4.120 4.320 0.005 0.000 0.218 57 A C 1.933 178.994 177.584 -0.871 0.000 1.169 57 A CA 1.634 53.346 52.037 -0.542 0.000 0.635 57 A CB -0.705 17.986 19.000 -0.514 0.000 0.810 57 A HN 0.306 nan 8.150 nan 0.000 0.445 58 N N 0.115 118.408 118.700 -0.677 0.000 2.120 58 N HA -0.182 4.561 4.740 0.005 0.000 0.188 58 N C 1.705 177.095 175.510 -0.200 0.000 1.024 58 N CA 1.924 54.699 53.050 -0.459 0.000 0.852 58 N CB -0.293 38.134 38.487 -0.099 0.000 1.003 58 N HN 0.560 nan 8.380 nan 0.000 0.424 59 K N 0.313 120.644 120.400 -0.116 0.000 2.032 59 K HA -0.112 4.211 4.320 0.005 0.000 0.209 59 K C 1.976 178.515 176.600 -0.101 0.000 1.048 59 K CA 1.440 57.712 56.287 -0.025 0.000 0.927 59 K CB -0.249 32.231 32.500 -0.033 0.000 0.712 59 K HN 0.231 nan 8.250 nan 0.000 0.441 60 I N 0.206 120.642 120.570 -0.224 0.000 2.163 60 I HA -0.303 3.870 4.170 0.005 0.000 0.243 60 I C 2.370 178.279 176.117 -0.347 0.000 1.085 60 I CA 1.380 62.510 61.300 -0.284 0.000 1.347 60 I CB -0.449 37.345 38.000 -0.343 0.000 1.044 60 I HN 0.263 nan 8.210 nan 0.000 0.408 61 Y N 1.358 121.316 120.300 -0.570 0.000 2.097 61 Y HA -0.310 4.243 4.550 0.005 0.000 0.282 61 Y C 2.269 177.923 175.900 -0.409 0.000 1.152 61 Y CA 1.807 59.552 58.100 -0.592 0.000 1.136 61 Y CB -0.497 37.465 38.460 -0.831 0.000 0.975 61 Y HN -0.020 nan 8.280 nan 0.000 0.498 62 F N 0.526 120.398 119.950 -0.129 0.000 2.234 62 F HA -0.101 4.429 4.527 0.005 0.000 0.299 62 F C 2.273 177.983 175.800 -0.150 0.000 1.087 62 F CA 1.596 59.511 58.000 -0.142 0.000 1.340 62 F CB -0.595 38.387 39.000 -0.029 0.000 1.031 62 F HN 0.165 nan 8.300 nan 0.000 0.500 63 E N -0.470 119.739 120.200 0.015 0.000 2.230 63 E HA -0.049 4.304 4.350 0.005 0.000 0.192 63 E C 1.900 178.475 176.600 -0.041 0.000 0.987 63 E CA 0.685 57.084 56.400 -0.001 0.000 0.841 63 E CB 0.066 29.759 29.700 -0.013 0.000 0.783 63 E HN 0.417 nan 8.360 nan 0.000 0.481 64 R N -1.174 119.228 120.500 -0.164 0.000 2.383 64 R HA 0.181 4.524 4.340 0.005 0.000 0.205 64 R C 1.919 178.116 176.300 -0.171 0.000 0.875 64 R CA 0.326 56.333 56.100 -0.156 0.000 1.039 64 R CB 0.397 30.441 30.300 -0.426 0.000 1.267 64 R HN 0.115 nan 8.270 nan 0.000 0.635 65 C N 0.099 119.155 119.300 -0.407 0.000 2.535 65 C HA 0.364 4.827 4.460 0.005 0.000 0.310 65 C C 2.677 177.410 174.990 -0.428 0.000 1.344 65 C CA 0.199 58.975 59.018 -0.403 0.000 1.831 65 C CB -0.169 27.187 27.740 -0.641 0.000 2.284 65 C HN 0.500 nan 8.230 nan 0.000 0.523 66 A N 1.785 124.188 122.820 -0.695 0.000 1.997 66 A HA -0.046 4.277 4.320 0.005 0.000 0.221 66 A C 2.308 179.873 177.584 -0.031 0.000 1.172 66 A CA 2.273 54.125 52.037 -0.309 0.000 0.645 66 A CB -1.296 17.692 19.000 -0.020 0.000 0.813 66 A HN 0.610 nan 8.150 nan 0.000 0.454 67 G N -1.674 107.125 108.800 -0.003 0.000 2.432 67 G HA2 -0.204 3.759 3.960 0.005 0.000 0.219 67 G HA3 -0.204 3.759 3.960 0.005 0.000 0.219 67 G C 1.436 176.366 174.900 0.050 0.000 1.135 67 G CA 1.430 46.576 45.100 0.077 0.000 0.767 67 G HN 0.557 nan 8.290 nan 0.000 0.550 68 C N -1.286 118.007 119.300 -0.012 0.000 2.535 68 C HA 0.295 4.758 4.460 0.005 0.000 0.310 68 C C 2.080 176.953 174.990 -0.196 0.000 1.344 68 C CA -0.036 58.913 59.018 -0.115 0.000 1.831 68 C CB -0.479 27.145 27.740 -0.194 0.000 2.284 68 C HN 0.491 nan 8.230 nan 0.000 0.523 69 H N 0.729 119.822 119.070 0.038 0.000 2.553 69 H HA 0.274 4.833 4.556 0.005 0.000 0.265 69 H C 1.287 176.688 175.328 0.122 0.000 0.964 69 H CA 1.190 57.289 56.048 0.085 0.000 1.156 69 H CB -0.026 29.815 29.762 0.132 0.000 1.411 69 H HN 0.552 nan 8.280 nan 0.000 0.558 70 G N 0.423 109.330 108.800 0.179 0.000 2.879 70 G HA2 -0.234 3.729 3.960 0.005 0.000 0.686 70 G HA3 -0.234 3.729 3.960 0.005 0.000 0.686 70 G C 0.855 175.890 174.900 0.226 0.000 1.115 70 G CA -0.131 45.078 45.100 0.182 0.000 0.770 70 G HN 0.108 nan 8.290 nan 0.000 0.601 71 V N 2.143 122.149 119.914 0.153 0.000 2.380 71 V HA -0.172 3.951 4.120 0.005 0.000 0.251 71 V C 2.592 178.803 176.094 0.195 0.000 1.063 71 V CA 2.465 64.844 62.300 0.131 0.000 1.055 71 V CB -0.474 31.020 31.823 -0.548 0.000 0.657 71 V HN 0.577 nan 8.190 nan 0.000 0.455 72 L N -0.422 120.866 121.223 0.109 0.000 2.653 72 L HA 0.298 4.641 4.340 0.005 0.000 0.231 72 L C 1.072 177.992 176.870 0.083 0.000 1.153 72 L CA -0.037 54.861 54.840 0.098 0.000 0.933 72 L CB -0.102 42.022 42.059 0.109 0.000 1.175 72 L HN 0.267 nan 8.230 nan 0.000 0.473 73 R N -1.096 119.491 120.500 0.145 0.000 3.953 73 R HA -0.226 4.117 4.340 0.005 0.000 0.340 73 R C 1.041 177.399 176.300 0.097 0.000 1.195 73 R CA 0.521 56.695 56.100 0.124 0.000 0.929 73 R CB -1.505 28.767 30.300 -0.047 0.000 1.402 73 R HN 0.184 nan 8.270 nan 0.000 0.540 74 K N 0.859 121.320 120.400 0.103 0.000 2.366 74 K HA 0.104 4.427 4.320 0.005 0.000 0.198 74 K C 0.878 177.541 176.600 0.105 0.000 1.044 74 K CA 1.182 57.511 56.287 0.069 0.000 0.973 74 K CB 0.349 32.864 32.500 0.026 0.000 0.767 74 K HN 0.603 nan 8.250 nan 0.000 0.475 75 G N -1.628 107.262 108.800 0.149 0.000 2.712 75 G HA2 0.233 4.196 3.960 0.005 0.000 0.686 75 G HA3 0.233 4.196 3.960 0.005 0.000 0.686 75 G C -0.183 174.791 174.900 0.123 0.000 1.181 75 G CA -0.415 44.770 45.100 0.143 0.000 0.762 75 G HN 0.369 nan 8.290 nan 0.000 0.641 76 A N 0.089 122.947 122.820 0.065 0.000 1.497 76 A HA 0.763 5.086 4.320 0.005 0.000 0.153 76 A C 1.890 179.454 177.584 -0.034 0.000 1.527 76 A CA 1.434 53.494 52.037 0.038 0.000 2.655 76 A CB -0.615 18.409 19.000 0.040 0.000 2.828 76 A HN 1.604 nan 8.150 nan 0.000 1.298 77 T N 1.040 115.556 114.554 -0.063 0.000 2.904 77 T HA 0.276 4.629 4.350 0.005 0.000 0.267 77 T C 0.987 175.618 174.700 -0.115 0.000 1.059 77 T CA 1.247 63.297 62.100 -0.083 0.000 1.137 77 T CB -0.357 68.471 68.868 -0.066 0.000 0.879 77 T HN 0.878 nan 8.240 nan 0.000 0.467 78 G N 0.702 109.375 108.800 -0.212 0.000 2.441 78 G HA2 0.567 4.530 3.960 0.005 0.000 0.334 78 G HA3 0.567 4.530 3.960 0.005 0.000 0.334 78 G C -0.672 174.211 174.900 -0.028 0.000 1.161 78 G CA -0.828 44.109 45.100 -0.273 0.000 0.935 78 G HN 0.195 nan 8.290 nan 0.000 0.488 79 K N -0.097 120.364 120.400 0.100 0.000 2.286 79 K HA 0.395 4.718 4.320 0.005 0.000 0.256 79 K C 0.678 177.401 176.600 0.205 0.000 0.999 79 K CA -0.027 56.333 56.287 0.121 0.000 0.908 79 K CB 0.619 33.161 32.500 0.070 0.000 0.981 79 K HN 0.548 nan 8.250 nan 0.000 0.500 80 A N 1.842 124.731 122.820 0.114 0.000 2.477 80 A HA 0.135 4.458 4.320 0.005 0.000 0.246 80 A C 0.383 177.995 177.584 0.047 0.000 1.078 80 A CA -0.070 52.024 52.037 0.096 0.000 0.770 80 A CB -0.175 18.856 19.000 0.051 0.000 1.011 80 A HN 0.694 nan 8.150 nan 0.000 0.494 81 L N 2.614 123.850 121.223 0.021 0.000 3.110 81 L HA 0.126 4.469 4.340 0.005 0.000 0.266 81 L C 0.711 177.532 176.870 -0.083 0.000 1.257 81 L CA -0.193 54.609 54.840 -0.064 0.000 1.038 81 L CB -0.346 41.631 42.059 -0.137 0.000 1.395 81 L HN 0.884 nan 8.230 nan 0.000 0.566 82 T N -3.408 111.114 114.554 -0.055 0.000 2.926 82 T HA 0.112 4.465 4.350 0.005 0.000 0.307 82 T C -1.685 172.971 174.700 -0.073 0.000 1.059 82 T CA -1.253 60.807 62.100 -0.068 0.000 1.122 82 T CB 0.923 69.767 68.868 -0.040 0.000 0.972 82 T HN -0.110 nan 8.240 nan 0.000 0.545 83 P HA -0.234 nan 4.420 nan 0.000 0.217 83 P C 1.545 178.813 177.300 -0.052 0.000 1.158 83 P CA 1.589 64.646 63.100 -0.071 0.000 0.887 83 P CB -0.065 31.591 31.700 -0.074 0.000 0.792 84 D N -0.778 119.595 120.400 -0.045 0.000 2.271 84 D HA -0.173 4.470 4.640 0.005 0.000 0.207 84 D C 1.712 177.987 176.300 -0.042 0.000 0.983 84 D CA 1.322 55.300 54.000 -0.038 0.000 0.878 84 D CB -0.875 39.907 40.800 -0.031 0.000 0.920 84 D HN 0.261 nan 8.370 nan 0.000 0.479 85 L N 0.244 121.438 121.223 -0.048 0.000 2.269 85 L HA -0.001 4.342 4.340 0.005 0.000 0.200 85 L C 2.855 179.681 176.870 -0.073 0.000 1.069 85 L CA 1.076 55.881 54.840 -0.059 0.000 0.804 85 L CB -0.641 41.386 42.059 -0.053 0.000 0.987 85 L HN 0.064 nan 8.230 nan 0.000 0.468 86 T N -1.783 112.733 114.554 -0.064 0.000 2.720 86 T HA -0.210 4.143 4.350 0.005 0.000 0.268 86 T C 1.969 176.651 174.700 -0.031 0.000 1.037 86 T CA 1.082 63.151 62.100 -0.052 0.000 1.144 86 T CB -0.377 68.462 68.868 -0.049 0.000 0.864 86 T HN 0.200 nan 8.240 nan 0.000 0.444 87 R N 1.233 121.717 120.500 -0.028 0.000 2.120 87 R HA -0.044 4.299 4.340 0.005 0.000 0.234 87 R C 2.238 178.528 176.300 -0.017 0.000 1.123 87 R CA 1.543 57.637 56.100 -0.009 0.000 0.975 87 R CB -0.337 29.953 30.300 -0.015 0.000 0.866 87 R HN 0.449 nan 8.270 nan 0.000 0.446 88 D N 0.607 120.981 120.400 -0.044 0.000 2.178 88 D HA -0.092 4.551 4.640 0.005 0.000 0.202 88 D C 1.908 178.155 176.300 -0.088 0.000 0.974 88 D CA 0.956 54.922 54.000 -0.057 0.000 0.841 88 D CB 0.035 40.794 40.800 -0.069 0.000 0.953 88 D HN 0.216 nan 8.370 nan 0.000 0.478 89 L N -0.020 121.125 121.223 -0.129 0.000 2.109 89 L HA 0.109 4.452 4.340 0.005 0.000 0.207 89 L C 1.258 178.113 176.870 -0.025 0.000 1.086 89 L CA 0.626 55.328 54.840 -0.230 0.000 0.760 89 L CB -0.584 41.264 42.059 -0.353 0.000 0.910 89 L HN 0.076 nan 8.230 nan 0.000 0.437 90 G N -1.176 107.651 108.800 0.045 0.000 2.712 90 G HA2 -0.303 3.660 3.960 0.005 0.000 0.686 90 G HA3 -0.303 3.660 3.960 0.005 0.000 0.686 90 G C -0.039 174.981 174.900 0.201 0.000 1.321 90 G CA -0.105 45.072 45.100 0.129 0.000 0.813 90 G HN 0.065 nan 8.290 nan 0.000 0.599 91 F N 1.018 121.015 119.950 0.078 0.000 2.065 91 F HA -0.138 4.392 4.527 0.005 0.000 0.298 91 F C 2.362 178.230 175.800 0.113 0.000 1.112 91 F CA 2.836 60.885 58.000 0.082 0.000 1.212 91 F CB -0.064 38.970 39.000 0.057 0.000 0.975 91 F HN 0.533 nan 8.300 nan 0.000 0.476 92 D N -0.809 119.713 120.400 0.205 0.000 2.116 92 D HA -0.274 4.369 4.640 0.005 0.000 0.193 92 D C 2.027 178.371 176.300 0.074 0.000 0.998 92 D CA 1.867 55.932 54.000 0.108 0.000 0.836 92 D CB -0.978 39.933 40.800 0.185 0.000 0.951 92 D HN 0.470 nan 8.370 nan 0.000 0.449 93 Y N 1.409 121.731 120.300 0.038 0.000 2.097 93 Y HA -0.196 4.357 4.550 0.005 0.000 0.282 93 Y C 2.324 178.275 175.900 0.086 0.000 1.152 93 Y CA 1.450 59.600 58.100 0.083 0.000 1.136 93 Y CB -0.390 38.121 38.460 0.085 0.000 0.975 93 Y HN -0.090 nan 8.280 nan 0.000 0.498 94 L N 0.057 121.393 121.223 0.189 0.000 1.989 94 L HA -0.303 4.040 4.340 0.005 0.000 0.211 94 L C 2.684 179.514 176.870 -0.067 0.000 1.071 94 L CA 1.999 56.874 54.840 0.059 0.000 0.749 94 L CB -0.984 41.070 42.059 -0.009 0.000 0.890 94 L HN 0.336 nan 8.230 nan 0.000 0.431 95 Q N 0.165 119.808 119.800 -0.262 0.000 2.045 95 Q HA -0.242 4.101 4.340 0.005 0.000 0.206 95 Q C 2.323 178.251 176.000 -0.119 0.000 0.991 95 Q CA 2.560 58.181 55.803 -0.303 0.000 0.851 95 Q CB -0.021 28.403 28.738 -0.523 0.000 0.911 95 Q HN 0.457 nan 8.270 nan 0.000 0.418 96 S N 0.068 115.736 115.700 -0.054 0.000 2.370 96 S HA -0.145 4.328 4.470 0.005 0.000 0.226 96 S C 1.503 176.128 174.600 0.043 0.000 1.033 96 S CA 1.218 59.449 58.200 0.052 0.000 1.011 96 S CB -0.467 62.763 63.200 0.049 0.000 0.852 96 S HN 0.387 nan 8.310 nan 0.000 0.457 97 F N 1.757 121.622 119.950 -0.141 0.000 2.171 97 F HA -0.007 4.523 4.527 0.005 0.000 0.300 97 F C 1.899 177.696 175.800 -0.005 0.000 1.090 97 F CA 0.950 58.885 58.000 -0.108 0.000 1.293 97 F CB -0.282 38.610 39.000 -0.180 0.000 1.013 97 F HN 0.142 nan 8.300 nan 0.000 0.486 98 I N -1.391 119.301 120.570 0.203 0.000 2.439 98 I HA -0.240 3.933 4.170 0.005 0.000 0.251 98 I C 2.053 178.239 176.117 0.114 0.000 1.139 98 I CA 1.300 62.716 61.300 0.193 0.000 1.438 98 I CB -0.710 37.330 38.000 0.065 0.000 1.085 98 I HN 0.072 nan 8.210 nan 0.000 0.427 99 T N -0.185 114.325 114.554 -0.073 0.000 2.735 99 T HA -0.104 4.249 4.350 0.005 0.000 0.256 99 T C 1.584 176.046 174.700 -0.396 0.000 1.042 99 T CA 1.444 63.360 62.100 -0.306 0.000 1.147 99 T CB -0.300 68.204 68.868 -0.606 0.000 0.865 99 T HN 0.217 nan 8.240 nan 0.000 0.421 100 Y N 1.384 121.645 120.300 -0.065 0.000 2.503 100 Y HA 0.547 5.100 4.550 0.005 0.000 0.278 100 Y C 1.500 177.307 175.900 -0.155 0.000 1.111 100 Y CA -0.194 57.838 58.100 -0.115 0.000 1.270 100 Y CB -0.564 37.806 38.460 -0.151 0.000 1.063 100 Y HN 0.368 nan 8.280 nan 0.000 0.548 101 A N 0.566 123.355 122.820 -0.051 0.000 6.086 101 A HA -0.018 4.305 4.320 0.005 0.000 0.252 101 A C 0.381 177.784 177.584 -0.303 0.000 2.197 101 A CA 0.657 52.642 52.037 -0.087 0.000 0.706 101 A CB -1.863 17.118 19.000 -0.032 0.000 1.023 101 A HN 0.777 nan 8.150 nan 0.000 0.358 102 S N -2.124 113.488 115.700 -0.145 0.000 2.596 102 S HA 0.772 5.245 4.470 0.005 0.000 0.270 102 S C -2.144 172.439 174.600 -0.029 0.000 1.155 102 S CA -0.380 57.734 58.200 -0.143 0.000 0.827 102 S CB 1.621 64.767 63.200 -0.091 0.000 1.130 102 S HN 0.652 nan 8.310 nan 0.000 0.467 103 P HA 0.088 nan 4.420 nan 0.000 0.216 103 P C 1.625 178.931 177.300 0.011 0.000 1.153 103 P CA 1.734 64.826 63.100 -0.014 0.000 0.848 103 P CB -0.252 31.438 31.700 -0.016 0.000 0.787 104 A N -1.040 121.806 122.820 0.042 0.000 2.139 104 A HA 0.063 4.386 4.320 0.005 0.000 0.221 104 A C 1.829 179.438 177.584 0.042 0.000 1.159 104 A CA 1.969 54.036 52.037 0.050 0.000 0.662 104 A CB -1.264 17.785 19.000 0.081 0.000 0.796 104 A HN 0.348 nan 8.150 nan 0.000 0.463 105 G N -3.452 105.376 108.800 0.047 0.000 2.935 105 G HA2 0.022 3.985 3.960 0.005 0.000 0.213 105 G HA3 0.022 3.985 3.960 0.005 0.000 0.213 105 G C 0.113 175.044 174.900 0.051 0.000 0.984 105 G CA 0.125 45.243 45.100 0.030 0.000 0.790 105 G HN 0.465 nan 8.290 nan 0.000 0.538 106 M N 2.983 122.654 119.600 0.120 0.000 2.251 106 M HA 0.551 5.034 4.480 0.005 0.000 0.346 106 M C -2.486 173.844 176.300 0.050 0.000 1.499 106 M CA -2.632 52.782 55.300 0.191 0.000 1.128 106 M CB 0.392 33.232 32.600 0.399 0.000 1.809 106 M HN -0.073 nan 8.290 nan 0.000 0.464 107 P HA 0.125 nan 4.420 nan 0.000 0.271 107 P C -0.964 176.057 177.300 -0.466 0.000 1.216 107 P CA -0.079 62.755 63.100 -0.443 0.000 0.776 107 P CB 0.290 31.412 31.700 -0.964 0.000 0.881 108 N N 3.101 121.590 118.700 -0.352 0.000 3.178 108 N HA -0.034 4.709 4.740 0.005 0.000 0.300 108 N C 0.338 175.732 175.510 -0.193 0.000 1.242 108 N CA -0.232 52.701 53.050 -0.195 0.000 1.192 108 N CB -0.566 37.848 38.487 -0.123 0.000 1.463 108 N HN 0.473 nan 8.380 nan 0.000 0.539 109 W N 1.233 122.509 121.300 -0.039 0.000 2.304 109 W HA -0.121 4.542 4.660 0.005 0.000 0.315 109 W C 2.334 178.805 176.519 -0.079 0.000 1.233 109 W CA 1.543 58.859 57.345 -0.048 0.000 1.261 109 W CB -0.715 28.722 29.460 -0.040 0.000 1.150 109 W HN 0.439 nan 8.180 nan 0.000 0.494 110 G N 0.094 108.953 108.800 0.097 0.000 2.484 110 G HA2 -0.301 3.662 3.960 0.005 0.000 0.215 110 G HA3 -0.301 3.662 3.960 0.005 0.000 0.215 110 G C 1.441 176.293 174.900 -0.080 0.000 1.219 110 G CA 2.538 47.614 45.100 -0.040 0.000 0.791 110 G HN 0.294 nan 8.290 nan 0.000 0.550 111 T N 0.245 114.717 114.554 -0.137 0.000 2.803 111 T HA -0.196 4.157 4.350 0.005 0.000 0.269 111 T C 2.562 177.233 174.700 -0.049 0.000 1.052 111 T CA 2.256 64.302 62.100 -0.090 0.000 1.136 111 T CB -0.621 68.212 68.868 -0.058 0.000 0.864 111 T HN 0.481 nan 8.240 nan 0.000 0.467 112 S N 1.060 116.727 115.700 -0.055 0.000 2.406 112 S HA 0.322 4.795 4.470 0.005 0.000 0.228 112 S C 2.142 176.731 174.600 -0.019 0.000 1.020 112 S CA 0.799 58.968 58.200 -0.051 0.000 0.965 112 S CB -0.832 62.310 63.200 -0.098 0.000 0.798 112 S HN 1.363 nan 8.310 nan 0.000 0.488 113 G N 0.736 109.539 108.800 0.005 0.000 2.179 113 G HA2 -0.213 3.750 3.960 0.005 0.000 0.220 113 G HA3 -0.213 3.750 3.960 0.005 0.000 0.220 113 G C 0.688 175.623 174.900 0.059 0.000 0.990 113 G CA 0.309 45.422 45.100 0.022 0.000 0.646 113 G HN 0.396 nan 8.290 nan 0.000 0.517 114 E N -0.306 119.955 120.200 0.102 0.000 2.118 114 E HA -0.019 4.334 4.350 0.005 0.000 0.195 114 E C 1.107 177.827 176.600 0.198 0.000 0.992 114 E CA 0.938 57.457 56.400 0.198 0.000 0.804 114 E CB 0.046 29.966 29.700 0.367 0.000 0.741 114 E HN 0.597 nan 8.360 nan 0.000 0.458 115 L N 0.897 122.226 121.223 0.178 0.000 2.385 115 L HA 0.218 4.561 4.340 0.005 0.000 0.273 115 L C -0.004 176.889 176.870 0.038 0.000 0.990 115 L CA -0.586 54.300 54.840 0.078 0.000 0.821 115 L CB 2.192 44.277 42.059 0.043 0.000 1.279 115 L HN -0.157 nan 8.230 nan 0.000 0.412 116 S N 0.997 116.703 115.700 0.011 0.000 2.589 116 S HA 0.189 4.662 4.470 0.005 0.000 0.265 116 S C 1.273 175.870 174.600 -0.005 0.000 1.342 116 S CA 0.033 58.235 58.200 0.003 0.000 1.005 116 S CB 1.455 64.656 63.200 0.001 0.000 0.909 116 S HN 0.772 nan 8.310 nan 0.000 0.555 117 A N 1.208 124.025 122.820 -0.005 0.000 1.917 117 A HA -0.164 4.159 4.320 0.005 0.000 0.219 117 A C 2.072 179.661 177.584 0.009 0.000 1.182 117 A CA 1.402 53.436 52.037 -0.005 0.000 0.633 117 A CB -0.607 18.395 19.000 0.004 0.000 0.819 117 A HN 0.781 nan 8.150 nan 0.000 0.448 118 E N -0.106 120.101 120.200 0.012 0.000 2.051 118 E HA -0.216 4.136 4.350 0.005 0.000 0.192 118 E C 2.223 178.827 176.600 0.006 0.000 0.991 118 E CA 1.497 57.908 56.400 0.019 0.000 0.799 118 E CB -0.488 29.220 29.700 0.013 0.000 0.748 118 E HN 0.802 nan 8.360 nan 0.000 0.449 119 Q N 0.304 120.093 119.800 -0.018 0.000 2.084 119 Q HA -0.116 4.227 4.340 0.005 0.000 0.202 119 Q C 2.396 178.358 176.000 -0.064 0.000 0.978 119 Q CA 1.320 57.092 55.803 -0.052 0.000 0.844 119 Q CB -0.083 28.614 28.738 -0.068 0.000 0.898 119 Q HN 0.097 nan 8.270 nan 0.000 0.426 120 V N 1.522 121.408 119.914 -0.046 0.000 2.295 120 V HA -0.269 3.854 4.120 0.005 0.000 0.246 120 V C 1.558 177.627 176.094 -0.041 0.000 1.049 120 V CA 2.080 64.345 62.300 -0.058 0.000 1.024 120 V CB -0.520 31.271 31.823 -0.053 0.000 0.648 120 V HN 0.329 nan 8.190 nan 0.000 0.447 121 D N -0.220 120.193 120.400 0.021 0.000 2.144 121 D HA -0.142 4.501 4.640 0.005 0.000 0.199 121 D C 1.931 178.334 176.300 0.173 0.000 0.984 121 D CA 0.986 55.072 54.000 0.142 0.000 0.834 121 D CB -0.353 40.587 40.800 0.234 0.000 0.955 121 D HN 0.306 nan 8.370 nan 0.000 0.465 122 L N 0.442 121.714 121.223 0.082 0.000 2.042 122 L HA -0.143 4.200 4.340 0.005 0.000 0.210 122 L C 1.971 178.870 176.870 0.048 0.000 1.076 122 L CA 1.520 56.396 54.840 0.060 0.000 0.749 122 L CB -0.438 41.616 42.059 -0.009 0.000 0.893 122 L HN -0.046 nan 8.230 nan 0.000 0.432 123 M N -0.949 118.633 119.600 -0.030 0.000 2.229 123 M HA -0.034 4.449 4.480 0.005 0.000 0.264 123 M C 2.404 178.733 176.300 0.048 0.000 1.063 123 M CA 1.518 56.785 55.300 -0.055 0.000 1.114 123 M CB -1.892 30.614 32.600 -0.156 0.000 1.387 123 M HN 0.382 nan 8.290 nan 0.000 0.420 124 A N 1.055 123.885 122.820 0.018 0.000 1.877 124 A HA -0.161 4.162 4.320 0.005 0.000 0.216 124 A C 2.115 179.807 177.584 0.180 0.000 1.186 124 A CA 1.690 53.714 52.037 -0.022 0.000 0.620 124 A CB -0.720 18.048 19.000 -0.388 0.000 0.822 124 A HN 0.491 nan 8.150 nan 0.000 0.443 125 N N -1.538 117.354 118.700 0.321 0.000 2.188 125 N HA -0.159 4.584 4.740 0.005 0.000 0.184 125 N C 1.637 177.265 175.510 0.196 0.000 1.018 125 N CA 1.629 54.854 53.050 0.292 0.000 0.858 125 N CB -0.520 38.112 38.487 0.242 0.000 0.989 125 N HN 0.685 nan 8.380 nan 0.000 0.426 126 Y N 1.991 122.316 120.300 0.041 0.000 2.128 126 Y HA -0.088 4.465 4.550 0.005 0.000 0.284 126 Y C 2.177 178.042 175.900 -0.057 0.000 1.154 126 Y CA 1.362 59.450 58.100 -0.019 0.000 1.149 126 Y CB -0.396 37.964 38.460 -0.167 0.000 0.976 126 Y HN -0.042 nan 8.280 nan 0.000 0.505 127 L N -0.110 121.137 121.223 0.040 0.000 2.362 127 L HA -0.191 4.152 4.340 0.005 0.000 0.219 127 L C 1.955 178.765 176.870 -0.100 0.000 1.134 127 L CA 0.757 55.542 54.840 -0.092 0.000 0.807 127 L CB -0.392 41.648 42.059 -0.032 0.000 0.927 127 L HN 0.350 nan 8.230 nan 0.000 0.447 128 L N -0.763 120.442 121.223 -0.029 0.000 2.509 128 L HA 0.073 4.416 4.340 0.005 0.000 0.222 128 L C 0.789 177.623 176.870 -0.059 0.000 1.123 128 L CA 0.046 54.878 54.840 -0.014 0.000 0.856 128 L CB 0.081 42.178 42.059 0.063 0.000 0.985 128 L HN 0.167 nan 8.230 nan 0.000 0.456 129 L N -0.842 120.318 121.223 -0.104 0.000 2.416 129 L HA 0.251 4.594 4.340 0.005 0.000 0.262 129 L C -0.083 176.672 176.870 -0.191 0.000 1.093 129 L CA -1.012 53.752 54.840 -0.127 0.000 0.801 129 L CB 0.595 42.603 42.059 -0.085 0.000 1.191 129 L HN -0.090 nan 8.230 nan 0.000 0.459 130 D N 1.413 121.712 120.400 -0.167 0.000 2.506 130 D HA 0.068 4.711 4.640 0.005 0.000 0.234 130 D C -2.163 174.025 176.300 -0.187 0.000 1.143 130 D CA -0.522 53.386 54.000 -0.154 0.000 0.871 130 D CB 0.324 41.049 40.800 -0.125 0.000 1.190 130 D HN 0.191 nan 8.370 nan 0.000 0.459 131 P HA 0.084 nan 4.420 nan 0.000 0.265 131 P C -0.796 176.477 177.300 -0.045 0.000 1.193 131 P CA -0.019 62.975 63.100 -0.177 0.000 0.765 131 P CB 0.531 32.167 31.700 -0.107 0.000 0.823 132 A N 3.261 126.098 122.820 0.029 0.000 2.407 132 A HA 0.488 4.811 4.320 0.005 0.000 0.248 132 A C 0.396 178.135 177.584 0.258 0.000 1.082 132 A CA -0.110 52.077 52.037 0.250 0.000 0.785 132 A CB -0.124 19.141 19.000 0.442 0.000 1.020 132 A HN 0.561 nan 8.150 nan 0.000 0.489 133 A N 3.869 126.818 122.820 0.215 0.000 2.350 133 A HA 0.574 4.897 4.320 0.005 0.000 0.293 133 A C -2.303 175.369 177.584 0.146 0.000 1.231 133 A CA -1.250 50.887 52.037 0.166 0.000 0.883 133 A CB -0.658 18.419 19.000 0.128 0.000 1.133 133 A HN 0.626 nan 8.150 nan 0.000 0.533 134 P HA 0.284 nan 4.420 nan 0.000 0.271 134 P C -2.410 174.956 177.300 0.110 0.000 1.218 134 P CA -0.839 62.162 63.100 -0.165 0.000 0.780 134 P CB 0.199 31.611 31.700 -0.480 0.000 0.901 135 P HA 0.182 nan 4.420 nan 0.000 0.279 135 P C -0.361 177.150 177.300 0.351 0.000 1.239 135 P CA -0.089 63.125 63.100 0.190 0.000 0.789 135 P CB 1.048 32.824 31.700 0.125 0.000 0.933 136 E N 1.267 121.608 120.200 0.235 0.000 2.322 136 E HA 0.387 4.740 4.350 0.005 0.000 0.257 136 E C -0.947 175.778 176.600 0.208 0.000 1.155 136 E CA -0.342 56.161 56.400 0.172 0.000 0.936 136 E CB 0.628 30.375 29.700 0.077 0.000 1.130 136 E HN 0.442 nan 8.360 nan 0.000 0.465 137 F N 0.090 120.019 119.950 -0.035 0.000 3.094 137 F HA 0.373 4.903 4.527 0.005 0.000 0.385 137 F C 0.116 175.881 175.800 -0.057 0.000 1.231 137 F CA -0.317 57.667 58.000 -0.027 0.000 1.207 137 F CB 0.717 39.704 39.000 -0.021 0.000 1.703 137 F HN 0.430 nan 8.300 nan 0.000 0.610 138 G N 2.376 111.081 108.800 -0.157 0.000 2.702 138 G HA2 0.275 4.238 3.960 0.005 0.000 0.254 138 G HA3 0.275 4.238 3.960 0.005 0.000 0.254 138 G C 0.734 175.539 174.900 -0.157 0.000 1.380 138 G CA -0.511 44.520 45.100 -0.116 0.000 1.042 138 G HN 0.542 nan 8.290 nan 0.000 0.557 139 M N -0.237 119.295 119.600 -0.113 0.000 2.108 139 M HA -0.034 4.449 4.480 0.005 0.000 0.261 139 M C 2.326 178.560 176.300 -0.109 0.000 1.066 139 M CA 1.958 57.198 55.300 -0.100 0.000 1.107 139 M CB -0.439 32.111 32.600 -0.082 0.000 1.356 139 M HN 0.610 nan 8.290 nan 0.000 0.406 140 K N -0.569 119.758 120.400 -0.122 0.000 2.032 140 K HA -0.226 4.097 4.320 0.005 0.000 0.209 140 K C 1.686 178.187 176.600 -0.164 0.000 1.048 140 K CA 2.026 58.248 56.287 -0.110 0.000 0.927 140 K CB -0.086 32.355 32.500 -0.099 0.000 0.712 140 K HN 0.306 nan 8.250 nan 0.000 0.441 141 E N 0.408 120.407 120.200 -0.335 0.000 2.072 141 E HA -0.139 4.214 4.350 0.005 0.000 0.191 141 E C 1.980 178.336 176.600 -0.406 0.000 0.985 141 E CA 1.511 57.563 56.400 -0.579 0.000 0.801 141 E CB -0.086 28.803 29.700 -1.352 0.000 0.750 141 E HN 0.344 nan 8.360 nan 0.000 0.452 142 M N -0.060 119.386 119.600 -0.256 0.000 2.086 142 M HA -0.122 4.361 4.480 0.005 0.000 0.261 142 M C 2.196 178.563 176.300 0.111 0.000 1.067 142 M CA 1.503 56.844 55.300 0.069 0.000 1.116 142 M CB -0.251 32.386 32.600 0.061 0.000 1.348 142 M HN -0.003 nan 8.290 nan 0.000 0.407 143 R N -0.051 120.490 120.500 0.069 0.000 2.120 143 R HA -0.166 4.177 4.340 0.005 0.000 0.234 143 R C 2.049 178.474 176.300 0.209 0.000 1.123 143 R CA 1.305 57.528 56.100 0.204 0.000 0.975 143 R CB -0.387 30.002 30.300 0.148 0.000 0.866 143 R HN 0.503 nan 8.270 nan 0.000 0.446 144 E N 0.692 120.948 120.200 0.094 0.000 2.150 144 E HA -0.149 4.204 4.350 0.005 0.000 0.193 144 E C 1.615 178.281 176.600 0.109 0.000 0.985 144 E CA 1.502 57.944 56.400 0.071 0.000 0.814 144 E CB 0.148 29.855 29.700 0.012 0.000 0.752 144 E HN 0.316 nan 8.360 nan 0.000 0.466 145 S N -0.644 115.154 115.700 0.162 0.000 2.528 145 S HA -0.064 4.409 4.470 0.005 0.000 0.219 145 S C 0.320 175.053 174.600 0.223 0.000 0.985 145 S CA -0.549 57.767 58.200 0.194 0.000 0.914 145 S CB -0.276 63.085 63.200 0.267 0.000 0.776 145 S HN 0.369 nan 8.310 nan 0.000 0.526 146 W N 3.876 125.191 121.300 0.026 0.000 2.368 146 W HA 0.465 5.128 4.660 0.004 0.000 0.316 146 W C -0.595 175.896 176.519 -0.046 0.000 1.375 146 W CA -1.096 56.245 57.345 -0.008 0.000 1.261 146 W CB 0.008 29.463 29.460 -0.008 0.000 1.298 146 W HN 0.037 nan 8.180 nan 0.000 0.539 147 K N 5.151 125.363 120.400 -0.313 0.000 2.443 147 K HA 0.472 4.795 4.320 0.005 0.000 0.252 147 K C -1.469 174.710 176.600 -0.702 0.000 0.933 147 K CA -1.091 54.870 56.287 -0.544 0.000 0.792 147 K CB 2.361 34.650 32.500 -0.352 0.000 1.185 147 K HN 0.071 nan 8.250 nan 0.000 0.425 148 V N 4.650 124.149 119.914 -0.691 0.000 2.294 148 V HA 0.101 4.224 4.120 0.005 0.000 0.272 148 V C 0.688 176.588 176.094 -0.324 0.000 1.027 148 V CA -0.592 61.432 62.300 -0.461 0.000 0.823 148 V CB 0.552 32.152 31.823 -0.372 0.000 1.030 148 V HN 0.806 nan 8.190 nan 0.000 0.457 149 H N 3.119 122.134 119.070 -0.092 0.000 2.395 149 H HA 0.123 4.682 4.556 0.005 0.000 0.299 149 H C 0.414 175.714 175.328 -0.048 0.000 1.070 149 H CA 1.043 57.054 56.048 -0.062 0.000 1.356 149 H CB 0.544 30.284 29.762 -0.036 0.000 1.401 149 H HN 0.390 nan 8.280 nan 0.000 0.524 150 V N 1.303 121.255 119.914 0.064 0.000 2.419 150 V HA 0.477 4.600 4.120 0.005 0.000 0.287 150 V C 0.125 176.222 176.094 0.005 0.000 1.017 150 V CA -1.070 61.251 62.300 0.035 0.000 0.844 150 V CB 1.234 33.087 31.823 0.050 0.000 1.011 150 V HN 0.361 nan 8.190 nan 0.000 0.429 151 A N 6.468 129.284 122.820 -0.008 0.000 2.483 151 A HA 0.461 4.784 4.320 0.005 0.000 0.238 151 A C -1.195 176.396 177.584 0.012 0.000 1.070 151 A CA -0.671 51.360 52.037 -0.011 0.000 0.770 151 A CB 0.036 19.027 19.000 -0.015 0.000 1.008 151 A HN 0.671 nan 8.150 nan 0.000 0.497 152 P HA -0.247 nan 4.420 nan 0.000 0.216 152 P C 1.300 178.623 177.300 0.039 0.000 1.154 152 P CA 1.818 64.937 63.100 0.032 0.000 0.865 152 P CB 0.067 31.780 31.700 0.021 0.000 0.789 153 E N -0.700 119.516 120.200 0.026 0.000 2.333 153 E HA -0.185 4.168 4.350 0.005 0.000 0.198 153 E C 0.603 177.220 176.600 0.027 0.000 1.007 153 E CA 1.225 57.640 56.400 0.026 0.000 0.845 153 E CB -0.883 28.827 29.700 0.017 0.000 0.766 153 E HN 0.320 nan 8.360 nan 0.000 0.507 154 D N 0.754 121.171 120.400 0.027 0.000 2.369 154 D HA 0.118 4.761 4.640 0.005 0.000 0.211 154 D C 0.285 176.608 176.300 0.038 0.000 1.077 154 D CA -0.018 53.998 54.000 0.026 0.000 0.842 154 D CB 0.402 41.213 40.800 0.018 0.000 0.947 154 D HN 0.142 nan 8.370 nan 0.000 0.509 155 R N 1.098 121.630 120.500 0.054 0.000 2.549 155 R HA 0.417 4.760 4.340 0.005 0.000 0.267 155 R C -2.302 174.051 176.300 0.089 0.000 1.045 155 R CA -1.494 54.651 56.100 0.074 0.000 1.115 155 R CB 0.118 30.477 30.300 0.099 0.000 1.121 155 R HN -0.154 nan 8.270 nan 0.000 0.543 156 P HA -0.013 nan 4.420 nan 0.000 0.269 156 P C 0.290 177.717 177.300 0.212 0.000 1.215 156 P CA 0.157 63.334 63.100 0.129 0.000 0.780 156 P CB 0.591 32.374 31.700 0.139 0.000 0.898 157 T N -2.395 112.251 114.554 0.154 0.000 3.069 157 T HA 0.145 4.498 4.350 0.005 0.000 0.252 157 T C 0.331 175.137 174.700 0.176 0.000 1.053 157 T CA -0.088 62.127 62.100 0.191 0.000 0.964 157 T CB -0.278 68.643 68.868 0.089 0.000 1.005 157 T HN 0.626 nan 8.240 nan 0.000 0.532 158 Q N -0.231 119.546 119.800 -0.038 0.000 2.575 158 Q HA 0.352 4.695 4.340 0.005 0.000 0.290 158 Q C -1.355 174.185 176.000 -0.768 0.000 0.963 158 Q CA -1.193 54.245 55.803 -0.608 0.000 0.783 158 Q CB 1.052 29.564 28.738 -0.377 0.000 1.467 158 Q HN 0.139 nan 8.270 nan 0.000 0.402 159 Q N 0.574 119.593 119.800 -1.302 0.000 2.255 159 Q HA -0.023 4.320 4.340 0.005 0.000 0.280 159 Q C -0.193 175.551 176.000 -0.427 0.000 1.068 159 Q CA 0.646 55.892 55.803 -0.930 0.000 0.911 159 Q CB 0.573 28.779 28.738 -0.888 0.000 1.157 159 Q HN 0.723 nan 8.270 nan 0.000 0.380 160 E N 2.551 122.590 120.200 -0.270 0.000 2.452 160 E HA -0.012 4.341 4.350 0.005 0.000 0.197 160 E C -0.248 176.241 176.600 -0.186 0.000 1.022 160 E CA 0.070 56.359 56.400 -0.185 0.000 0.890 160 E CB 0.350 29.979 29.700 -0.119 0.000 0.918 160 E HN 0.670 nan 8.360 nan 0.000 0.496 161 N N 0.702 119.243 118.700 -0.265 0.000 2.478 161 N HA 0.017 4.760 4.740 0.005 0.000 0.275 161 N C -0.029 175.385 175.510 -0.161 0.000 1.221 161 N CA -0.521 52.352 53.050 -0.295 0.000 0.979 161 N CB 0.584 38.626 38.487 -0.742 0.000 1.202 161 N HN -0.227 nan 8.380 nan 0.000 0.564 162 D N -2.106 118.303 120.400 0.016 0.000 2.427 162 D HA 0.080 4.723 4.640 0.005 0.000 0.224 162 D C -0.767 175.694 176.300 0.269 0.000 1.157 162 D CA -0.563 53.501 54.000 0.107 0.000 0.828 162 D CB -0.380 40.480 40.800 0.101 0.000 0.974 162 D HN 0.368 nan 8.370 nan 0.000 0.498 163 W N 1.073 122.368 121.300 -0.008 0.000 2.126 163 W HA 0.317 4.981 4.660 0.007 0.000 0.346 163 W C 0.777 177.300 176.519 0.006 0.000 1.279 163 W CA -0.961 56.388 57.345 0.008 0.000 1.259 163 W CB -0.002 29.475 29.460 0.029 0.000 1.133 163 W HN -0.110 nan 8.180 nan 0.000 0.592 164 D N 1.954 122.503 120.400 0.248 0.000 2.500 164 D HA 0.139 4.782 4.640 0.005 0.000 0.219 164 D C 1.194 177.602 176.300 0.181 0.000 1.137 164 D CA 0.017 54.105 54.000 0.148 0.000 0.946 164 D CB 0.159 41.008 40.800 0.081 0.000 1.022 164 D HN 0.274 nan 8.370 nan 0.000 0.518 165 L N 2.038 123.383 121.223 0.203 0.000 2.042 165 L HA -0.169 4.174 4.340 0.005 0.000 0.210 165 L C 2.050 179.015 176.870 0.159 0.000 1.076 165 L CA 1.150 56.118 54.840 0.214 0.000 0.749 165 L CB -0.236 41.949 42.059 0.210 0.000 0.893 165 L HN 0.381 nan 8.230 nan 0.000 0.432 166 E N -0.222 120.064 120.200 0.143 0.000 2.265 166 E HA -0.203 4.150 4.350 0.005 0.000 0.196 166 E C 1.211 177.864 176.600 0.088 0.000 0.996 166 E CA 0.827 57.318 56.400 0.152 0.000 0.832 166 E CB -0.118 29.697 29.700 0.193 0.000 0.756 166 E HN 0.345 nan 8.360 nan 0.000 0.491 167 N N 0.315 119.052 118.700 0.063 0.000 2.270 167 N HA 0.029 4.772 4.740 0.005 0.000 0.198 167 N C -0.421 175.122 175.510 0.054 0.000 1.117 167 N CA -0.133 52.938 53.050 0.035 0.000 0.845 167 N CB 0.288 38.813 38.487 0.062 0.000 0.980 167 N HN -0.017 nan 8.380 nan 0.000 0.486 168 L N 0.522 121.779 121.223 0.057 0.000 2.417 168 L HA 0.377 4.720 4.340 0.005 0.000 0.268 168 L C -0.865 175.992 176.870 -0.021 0.000 1.158 168 L CA 0.162 55.066 54.840 0.106 0.000 0.819 168 L CB 0.225 42.381 42.059 0.161 0.000 1.112 168 L HN -0.072 nan 8.230 nan 0.000 0.458 169 F N 2.273 122.150 119.950 -0.121 0.000 2.482 169 F HA 0.383 4.912 4.527 0.003 0.000 0.331 169 F C 0.286 176.061 175.800 -0.041 0.000 1.115 169 F CA -0.398 57.483 58.000 -0.198 0.000 0.955 169 F CB 1.907 40.587 39.000 -0.532 0.000 1.136 169 F HN 0.374 nan 8.300 nan 0.000 0.452 170 S N 3.496 119.291 115.700 0.159 0.000 2.420 170 S HA 0.649 5.122 4.470 0.005 0.000 0.313 170 S C -0.969 173.743 174.600 0.186 0.000 1.079 170 S CA -0.477 57.829 58.200 0.177 0.000 1.104 170 S CB 0.127 63.435 63.200 0.180 0.000 0.969 170 S HN 0.360 nan 8.310 nan 0.000 0.471 171 V N 5.443 125.445 119.914 0.147 0.000 2.398 171 V HA 0.378 4.501 4.120 0.005 0.000 0.286 171 V C 0.484 176.617 176.094 0.065 0.000 1.026 171 V CA -0.773 61.585 62.300 0.097 0.000 0.868 171 V CB 1.722 33.609 31.823 0.108 0.000 0.982 171 V HN 0.843 nan 8.190 nan 0.000 0.443 172 T N 6.778 121.347 114.554 0.024 0.000 2.814 172 T HA 0.372 4.725 4.350 0.005 0.000 0.297 172 T C 0.154 174.822 174.700 -0.054 0.000 0.956 172 T CA 0.079 62.169 62.100 -0.017 0.000 1.123 172 T CB 0.053 68.881 68.868 -0.067 0.000 0.902 172 T HN 0.402 nan 8.240 nan 0.000 0.528 173 L N 4.593 125.798 121.223 -0.030 0.000 2.494 173 L HA 0.369 4.712 4.340 0.005 0.000 0.251 173 L C 1.888 178.725 176.870 -0.054 0.000 1.119 173 L CA -0.621 54.206 54.840 -0.021 0.000 1.026 173 L CB 0.134 42.205 42.059 0.019 0.000 1.370 173 L HN 0.675 nan 8.230 nan 0.000 0.426 174 R N 1.125 121.558 120.500 -0.112 0.000 2.196 174 R HA -0.246 4.097 4.340 0.005 0.000 0.234 174 R C 0.943 177.105 176.300 -0.230 0.000 1.113 174 R CA 2.706 58.701 56.100 -0.175 0.000 0.899 174 R CB 0.104 30.299 30.300 -0.175 0.000 0.863 174 R HN 0.559 nan 8.270 nan 0.000 0.430 175 D N -0.739 119.622 120.400 -0.064 0.000 2.350 175 D HA -0.040 4.603 4.640 0.005 0.000 0.216 175 D C 1.098 177.505 176.300 0.179 0.000 0.968 175 D CA 1.085 55.125 54.000 0.066 0.000 0.894 175 D CB 0.094 41.017 40.800 0.206 0.000 0.909 175 D HN 0.448 nan 8.370 nan 0.000 0.520 176 A N -0.208 122.663 122.820 0.085 0.000 2.238 176 A HA 0.445 4.768 4.320 0.005 0.000 0.210 176 A C 1.730 179.387 177.584 0.122 0.000 1.179 176 A CA 0.621 52.728 52.037 0.117 0.000 0.827 176 A CB -0.229 18.820 19.000 0.081 0.000 0.856 176 A HN 0.178 nan 8.150 nan 0.000 0.488 177 G N -0.499 108.340 108.800 0.065 0.000 2.295 177 G HA2 -0.225 3.738 3.960 0.005 0.000 0.287 177 G HA3 -0.225 3.738 3.960 0.005 0.000 0.287 177 G C -0.137 174.804 174.900 0.068 0.000 1.055 177 G CA 0.697 45.847 45.100 0.084 0.000 0.922 177 G HN 0.680 nan 8.290 nan 0.000 0.503 178 Q N -1.410 118.414 119.800 0.040 0.000 2.615 178 Q HA 0.783 5.126 4.340 0.005 0.000 0.298 178 Q C 0.051 176.076 176.000 0.041 0.000 1.023 178 Q CA -0.912 54.921 55.803 0.050 0.000 0.768 178 Q CB 2.322 31.094 28.738 0.057 0.000 1.500 178 Q HN 0.758 nan 8.270 nan 0.000 0.441 179 I N -2.590 118.014 120.570 0.058 0.000 2.865 179 I HA 0.946 5.119 4.170 0.005 0.000 0.302 179 I C -1.341 174.824 176.117 0.080 0.000 1.140 179 I CA -1.149 60.191 61.300 0.067 0.000 1.021 179 I CB 2.259 40.307 38.000 0.080 0.000 1.233 179 I HN 0.573 nan 8.210 nan 0.000 0.427 180 A N 5.854 128.726 122.820 0.088 0.000 2.331 180 A HA 0.799 5.122 4.320 0.005 0.000 0.320 180 A C -0.845 176.808 177.584 0.114 0.000 1.138 180 A CA -0.648 51.444 52.037 0.093 0.000 0.790 180 A CB 1.179 20.229 19.000 0.084 0.000 1.206 180 A HN 0.751 nan 8.150 nan 0.000 0.470 181 L N 3.744 125.031 121.223 0.107 0.000 2.262 181 L HA 0.470 4.813 4.340 0.005 0.000 0.288 181 L C -0.729 176.165 176.870 0.040 0.000 1.035 181 L CA -0.038 54.871 54.840 0.115 0.000 0.820 181 L CB 0.689 42.858 42.059 0.182 0.000 1.204 181 L HN 0.565 nan 8.230 nan 0.000 0.424 182 I N 2.218 122.855 120.570 0.111 0.000 2.433 182 I HA 0.223 4.396 4.170 0.005 0.000 0.292 182 I C -0.002 176.202 176.117 0.145 0.000 1.001 182 I CA -0.704 60.673 61.300 0.129 0.000 1.119 182 I CB 2.231 40.404 38.000 0.289 0.000 1.289 182 I HN 0.511 nan 8.210 nan 0.000 0.438 183 D N 4.730 125.151 120.400 0.036 0.000 2.401 183 D HA 0.018 4.661 4.640 0.005 0.000 0.254 183 D C 1.181 177.562 176.300 0.134 0.000 1.192 183 D CA 0.272 54.277 54.000 0.008 0.000 0.885 183 D CB 1.775 42.498 40.800 -0.129 0.000 1.147 183 D HN 0.815 nan 8.370 nan 0.000 0.478 184 G N 2.557 111.488 108.800 0.217 0.000 2.509 184 G HA2 -0.209 3.754 3.960 0.005 0.000 0.218 184 G HA3 -0.209 3.754 3.960 0.005 0.000 0.218 184 G C 1.362 176.338 174.900 0.126 0.000 1.124 184 G CA 1.000 46.316 45.100 0.360 0.000 0.776 184 G HN 0.545 nan 8.290 nan 0.000 0.547 185 S N -0.471 115.143 115.700 -0.143 0.000 2.502 185 S HA -0.027 4.446 4.470 0.005 0.000 0.228 185 S C 2.153 176.276 174.600 -0.795 0.000 1.061 185 S CA 1.236 59.228 58.200 -0.347 0.000 0.935 185 S CB -0.170 62.936 63.200 -0.157 0.000 0.809 185 S HN 0.371 nan 8.310 nan 0.000 0.510 186 T N -2.730 111.447 114.554 -0.629 0.000 3.037 186 T HA 0.177 4.530 4.350 0.005 0.000 0.251 186 T C 0.407 174.744 174.700 -0.606 0.000 1.079 186 T CA 0.301 62.055 62.100 -0.577 0.000 1.067 186 T CB -0.722 67.986 68.868 -0.266 0.000 0.948 186 T HN 0.365 nan 8.240 nan 0.000 0.496 187 Y N 0.593 120.820 120.300 -0.121 0.000 4.798 187 Y HA -0.183 4.366 4.550 -0.001 0.000 0.237 187 Y C 0.156 176.001 175.900 -0.092 0.000 1.017 187 Y CA -0.250 57.758 58.100 -0.154 0.000 2.010 187 Y CB -2.953 35.248 38.460 -0.430 0.000 1.582 187 Y HN 0.474 nan 8.280 nan 0.000 0.621 188 E N 1.067 121.246 120.200 -0.035 0.000 2.338 188 E HA 0.368 4.721 4.350 0.005 0.000 0.272 188 E C 0.248 176.816 176.600 -0.053 0.000 1.029 188 E CA -0.476 55.895 56.400 -0.048 0.000 0.872 188 E CB 0.761 30.396 29.700 -0.108 0.000 1.015 188 E HN 0.243 nan 8.360 nan 0.000 0.417 189 I N 4.758 125.309 120.570 -0.031 0.000 2.347 189 I HA -0.046 4.127 4.170 0.005 0.000 0.294 189 I C 1.308 177.356 176.117 -0.115 0.000 1.090 189 I CA -0.179 61.100 61.300 -0.034 0.000 1.314 189 I CB 0.415 38.420 38.000 0.008 0.000 1.423 189 I HN 0.366 nan 8.210 nan 0.000 0.503 190 K N 3.116 123.369 120.400 -0.245 0.000 2.155 190 K HA 0.043 4.366 4.320 0.005 0.000 0.203 190 K C 0.805 177.296 176.600 -0.182 0.000 1.052 190 K CA 0.740 56.747 56.287 -0.466 0.000 0.948 190 K CB -0.022 31.724 32.500 -1.256 0.000 0.728 190 K HN 0.640 nan 8.250 nan 0.000 0.448 191 T N -0.797 113.731 114.554 -0.043 0.000 2.827 191 T HA 0.351 4.704 4.350 0.005 0.000 0.328 191 T C -1.985 172.769 174.700 0.091 0.000 1.598 191 T CA -0.671 61.487 62.100 0.097 0.000 1.043 191 T CB 1.410 70.435 68.868 0.263 0.000 1.447 191 T HN -0.242 nan 8.240 nan 0.000 0.491 192 V N 4.555 124.524 119.914 0.091 0.000 2.483 192 V HA 0.604 4.727 4.120 0.005 0.000 0.297 192 V C -0.459 175.686 176.094 0.085 0.000 1.027 192 V CA -0.662 61.687 62.300 0.081 0.000 0.855 192 V CB 1.375 33.236 31.823 0.064 0.000 0.995 192 V HN 0.754 nan 8.190 nan 0.000 0.424 193 L N 3.389 124.665 121.223 0.087 0.000 2.334 193 L HA 0.631 4.974 4.340 0.005 0.000 0.273 193 L C -0.484 176.428 176.870 0.069 0.000 1.013 193 L CA -0.889 53.999 54.840 0.080 0.000 0.816 193 L CB 2.005 44.117 42.059 0.088 0.000 1.278 193 L HN 0.471 nan 8.230 nan 0.000 0.431 194 D N 1.422 121.859 120.400 0.063 0.000 2.350 194 D HA 0.393 5.036 4.640 0.005 0.000 0.249 194 D C 0.239 176.580 176.300 0.068 0.000 1.119 194 D CA 0.274 54.313 54.000 0.064 0.000 0.886 194 D CB 1.610 42.444 40.800 0.057 0.000 1.195 194 D HN 0.676 nan 8.370 nan 0.000 0.437 195 T N -1.801 112.798 114.554 0.074 0.000 2.618 195 T HA 0.667 5.020 4.350 0.005 0.000 0.286 195 T C 0.531 175.285 174.700 0.090 0.000 1.027 195 T CA -1.024 61.121 62.100 0.076 0.000 1.063 195 T CB 0.781 69.687 68.868 0.063 0.000 1.440 195 T HN 0.218 nan 8.240 nan 0.000 0.505 196 G N -0.698 108.155 108.800 0.089 0.000 2.606 196 G HA2 0.417 4.380 3.960 0.005 0.000 0.252 196 G HA3 0.417 4.380 3.960 0.005 0.000 0.252 196 G C -0.928 174.052 174.900 0.132 0.000 1.206 196 G CA -0.546 44.622 45.100 0.113 0.000 0.861 196 G HN 0.717 nan 8.290 nan 0.000 0.561 197 Y N 1.033 121.368 120.300 0.058 0.000 2.511 197 Y HA 0.300 4.854 4.550 0.006 0.000 0.332 197 Y C 0.917 176.860 175.900 0.072 0.000 1.177 197 Y CA 0.347 58.486 58.100 0.064 0.000 1.422 197 Y CB 0.471 38.970 38.460 0.065 0.000 1.271 197 Y HN 1.314 nan 8.280 nan 0.000 0.550 198 A N 3.987 126.355 122.820 -0.753 0.000 2.362 198 A HA -0.176 4.147 4.320 0.005 0.000 0.290 198 A C 0.020 177.516 177.584 -0.147 0.000 1.441 198 A CA 0.596 52.324 52.037 -0.516 0.000 0.743 198 A CB -2.473 16.195 19.000 -0.555 0.000 1.125 198 A HN 0.687 nan 8.150 nan 0.000 0.378 199 V N 1.715 121.572 119.914 -0.095 0.000 2.644 199 V HA -0.057 4.066 4.120 0.005 0.000 0.305 199 V C 1.758 177.852 176.094 0.001 0.000 1.053 199 V CA 1.516 63.810 62.300 -0.011 0.000 1.186 199 V CB 0.658 32.481 31.823 0.001 0.000 0.895 199 V HN 0.841 nan 8.190 nan 0.000 0.490 200 H N 4.498 123.548 119.070 -0.034 0.000 2.399 200 H HA 0.350 4.909 4.556 0.006 0.000 0.300 200 H C 0.427 175.772 175.328 0.027 0.000 1.048 200 H CA 1.449 57.489 56.048 -0.012 0.000 1.370 200 H CB 0.410 30.155 29.762 -0.029 0.000 1.428 200 H HN 0.678 nan 8.280 nan 0.000 0.534 201 I N -3.518 117.075 120.570 0.038 0.000 3.093 201 I HA 0.494 4.667 4.170 0.005 0.000 0.308 201 I C -1.124 174.859 176.117 -0.224 0.000 1.303 201 I CA -0.988 60.233 61.300 -0.132 0.000 0.975 201 I CB 2.608 40.438 38.000 -0.284 0.000 1.286 201 I HN -0.279 nan 8.210 nan 0.000 0.459 202 S N 2.251 117.637 115.700 -0.524 0.000 2.482 202 S HA 0.741 5.214 4.470 0.005 0.000 0.303 202 S C -0.685 173.645 174.600 -0.450 0.000 1.091 202 S CA -0.826 57.200 58.200 -0.289 0.000 1.057 202 S CB 1.370 64.554 63.200 -0.027 0.000 1.031 202 S HN 0.455 nan 8.310 nan 0.000 0.485 203 R N 1.672 122.082 120.500 -0.150 0.000 2.795 203 R HA 0.543 4.886 4.340 0.005 0.000 0.275 203 R C -1.463 174.893 176.300 0.094 0.000 0.981 203 R CA -0.806 55.239 56.100 -0.091 0.000 0.917 203 R CB 1.303 31.537 30.300 -0.110 0.000 1.202 203 R HN 0.423 nan 8.270 nan 0.000 0.469 204 L N 1.409 122.682 121.223 0.084 0.000 2.334 204 L HA 0.394 4.737 4.340 0.005 0.000 0.276 204 L C 0.878 177.842 176.870 0.157 0.000 1.014 204 L CA -0.416 54.510 54.840 0.144 0.000 0.815 204 L CB 1.809 43.910 42.059 0.069 0.000 1.268 204 L HN 0.792 nan 8.230 nan 0.000 0.428 205 S N 1.180 117.030 115.700 0.250 0.000 2.584 205 S HA 0.222 4.695 4.470 0.005 0.000 0.270 205 S C 1.293 175.931 174.600 0.062 0.000 1.346 205 S CA 0.108 58.428 58.200 0.201 0.000 1.018 205 S CB 1.027 64.423 63.200 0.327 0.000 0.899 205 S HN 0.716 nan 8.310 nan 0.000 0.542 206 A N 1.720 124.551 122.820 0.018 0.000 2.024 206 A HA -0.058 4.265 4.320 0.005 0.000 0.220 206 A C 2.370 179.933 177.584 -0.035 0.000 1.164 206 A CA 1.825 53.841 52.037 -0.034 0.000 0.643 206 A CB -1.409 17.560 19.000 -0.052 0.000 0.806 206 A HN 1.353 nan 8.150 nan 0.000 0.451 207 S N -2.306 113.381 115.700 -0.023 0.000 2.496 207 S HA 0.353 4.826 4.470 0.005 0.000 0.224 207 S C 1.524 176.112 174.600 -0.019 0.000 0.996 207 S CA 1.108 59.290 58.200 -0.030 0.000 0.927 207 S CB -0.267 62.885 63.200 -0.081 0.000 0.774 207 S HN 1.907 nan 8.310 nan 0.000 0.524 208 G N 1.820 110.605 108.800 -0.025 0.000 2.159 208 G HA2 -0.341 3.622 3.960 0.005 0.000 0.256 208 G HA3 -0.341 3.622 3.960 0.005 0.000 0.256 208 G C 0.804 175.662 174.900 -0.070 0.000 0.977 208 G CA 0.460 45.559 45.100 -0.002 0.000 0.652 208 G HN 0.598 nan 8.290 nan 0.000 0.531 209 R N -0.985 119.348 120.500 -0.278 0.000 2.080 209 R HA 0.199 4.542 4.340 0.005 0.000 0.222 209 R C 0.232 176.148 176.300 -0.641 0.000 1.107 209 R CA 0.632 56.318 56.100 -0.690 0.000 0.980 209 R CB 0.034 29.463 30.300 -1.452 0.000 0.879 209 R HN 0.344 nan 8.270 nan 0.000 0.439 210 Y N 0.768 120.940 120.300 -0.214 0.000 2.330 210 Y HA 0.315 4.869 4.550 0.006 0.000 0.336 210 Y C -0.410 175.373 175.900 -0.194 0.000 1.036 210 Y CA -1.244 56.703 58.100 -0.255 0.000 1.125 210 Y CB 1.528 39.812 38.460 -0.293 0.000 1.194 210 Y HN -0.007 nan 8.280 nan 0.000 0.469 211 L N 4.833 125.994 121.223 -0.103 0.000 2.282 211 L HA 0.620 4.963 4.340 0.005 0.000 0.288 211 L C -1.739 174.994 176.870 -0.229 0.000 1.033 211 L CA -0.621 54.188 54.840 -0.052 0.000 0.807 211 L CB 0.037 42.099 42.059 0.005 0.000 1.209 211 L HN 0.370 nan 8.230 nan 0.000 0.423 212 F N 5.134 125.089 119.950 0.008 0.000 2.482 212 F HA 0.684 5.214 4.527 0.005 0.000 0.331 212 F C 0.008 175.784 175.800 -0.039 0.000 1.115 212 F CA -0.683 57.307 58.000 -0.018 0.000 0.955 212 F CB 2.049 41.021 39.000 -0.047 0.000 1.136 212 F HN 0.410 nan 8.300 nan 0.000 0.452 213 V N 2.286 122.279 119.914 0.131 0.000 2.823 213 V HA 0.725 4.848 4.120 0.005 0.000 0.312 213 V C -1.160 174.972 176.094 0.062 0.000 1.072 213 V CA -0.907 61.432 62.300 0.066 0.000 0.937 213 V CB 2.134 33.988 31.823 0.051 0.000 1.013 213 V HN 0.783 nan 8.190 nan 0.000 0.430 214 I N 2.449 123.038 120.570 0.032 0.000 2.499 214 I HA 0.818 4.991 4.170 0.005 0.000 0.288 214 I C 0.479 176.613 176.117 0.029 0.000 1.048 214 I CA -0.307 61.006 61.300 0.022 0.000 1.062 214 I CB 1.615 39.606 38.000 -0.015 0.000 1.238 214 I HN 1.036 nan 8.210 nan 0.000 0.426 215 G N 5.443 114.262 108.800 0.032 0.000 2.504 215 G HA2 0.265 4.228 3.960 0.005 0.000 0.288 215 G HA3 0.265 4.228 3.960 0.005 0.000 0.288 215 G C 0.705 175.623 174.900 0.030 0.000 1.182 215 G CA -0.723 44.403 45.100 0.044 0.000 0.894 215 G HN 0.852 nan 8.290 nan 0.000 0.521 216 R N -0.258 120.275 120.500 0.055 0.000 2.241 216 R HA -0.078 4.265 4.340 0.005 0.000 0.224 216 R C 0.930 177.246 176.300 0.028 0.000 1.101 216 R CA 1.640 57.751 56.100 0.019 0.000 0.995 216 R CB -0.176 30.174 30.300 0.084 0.000 0.870 216 R HN 0.598 nan 8.270 nan 0.000 0.463 217 D N -0.138 120.302 120.400 0.066 0.000 2.347 217 D HA 0.000 4.643 4.640 0.005 0.000 0.213 217 D C 1.187 177.473 176.300 -0.024 0.000 0.985 217 D CA 0.966 54.997 54.000 0.052 0.000 0.879 217 D CB 0.171 41.027 40.800 0.094 0.000 0.919 217 D HN 0.455 nan 8.370 nan 0.000 0.526 218 G N 0.849 109.624 108.800 -0.042 0.000 2.179 218 G HA2 -0.261 3.702 3.960 0.005 0.000 0.220 218 G HA3 -0.261 3.702 3.960 0.005 0.000 0.220 218 G C 0.164 175.025 174.900 -0.065 0.000 0.990 218 G CA 0.110 45.152 45.100 -0.097 0.000 0.646 218 G HN 0.543 nan 8.290 nan 0.000 0.517 219 K N 1.075 121.470 120.400 -0.008 0.000 2.258 219 K HA 0.630 4.953 4.320 0.005 0.000 0.284 219 K C 0.008 176.634 176.600 0.044 0.000 1.051 219 K CA -0.436 55.870 56.287 0.032 0.000 0.923 219 K CB 1.342 33.880 32.500 0.063 0.000 1.046 219 K HN 0.189 nan 8.250 nan 0.000 0.474 220 V N 4.819 124.769 119.914 0.060 0.000 2.459 220 V HA 0.397 4.520 4.120 0.005 0.000 0.295 220 V C -0.753 175.400 176.094 0.097 0.000 1.029 220 V CA -0.945 61.402 62.300 0.078 0.000 0.874 220 V CB 1.601 33.474 31.823 0.083 0.000 0.985 220 V HN 0.849 nan 8.190 nan 0.000 0.438 221 N N 3.608 122.361 118.700 0.089 0.000 2.314 221 N HA 0.636 5.379 4.740 0.005 0.000 0.294 221 N C -0.823 174.685 175.510 -0.003 0.000 1.029 221 N CA -0.471 52.617 53.050 0.064 0.000 0.845 221 N CB 2.048 40.573 38.487 0.064 0.000 1.321 221 N HN 0.763 nan 8.380 nan 0.000 0.481 222 M N 3.306 122.858 119.600 -0.080 0.000 2.167 222 M HA 0.545 5.028 4.480 0.005 0.000 0.333 222 M C -1.631 174.546 176.300 -0.204 0.000 1.030 222 M CA -0.526 54.569 55.300 -0.341 0.000 0.963 222 M CB 0.687 33.053 32.600 -0.391 0.000 1.589 222 M HN 0.477 nan 8.290 nan 0.000 0.431 223 I N 3.827 124.275 120.570 -0.204 0.000 2.433 223 I HA 0.271 4.444 4.170 0.005 0.000 0.292 223 I C -0.682 175.442 176.117 0.012 0.000 1.001 223 I CA -0.623 60.645 61.300 -0.054 0.000 1.119 223 I CB 1.801 39.793 38.000 -0.014 0.000 1.289 223 I HN 0.577 nan 8.210 nan 0.000 0.438 224 D N 6.595 127.029 120.400 0.056 0.000 2.380 224 D HA 0.225 4.868 4.640 0.005 0.000 0.230 224 D C 0.743 177.006 176.300 -0.062 0.000 1.154 224 D CA -0.064 53.954 54.000 0.029 0.000 0.859 224 D CB 1.036 41.897 40.800 0.101 0.000 1.045 224 D HN 0.439 nan 8.370 nan 0.000 0.495 225 L N 2.763 123.916 121.223 -0.118 0.000 2.551 225 L HA -0.011 4.332 4.340 0.005 0.000 0.228 225 L C 1.175 178.068 176.870 0.038 0.000 1.153 225 L CA 0.168 54.980 54.840 -0.047 0.000 0.851 225 L CB -0.037 42.032 42.059 0.018 0.000 0.959 225 L HN 0.491 nan 8.230 nan 0.000 0.451 226 W N -0.381 120.773 121.300 -0.244 0.000 3.003 226 W HA 0.144 4.807 4.660 0.005 0.000 0.257 226 W C 1.067 177.452 176.519 -0.225 0.000 1.308 226 W CA -0.774 56.433 57.345 -0.230 0.000 1.529 226 W CB -0.406 28.932 29.460 -0.204 0.000 1.115 226 W HN 0.017 nan 8.180 nan 0.000 0.659 227 M N 0.762 120.358 119.600 -0.007 0.000 2.245 227 M HA -0.012 4.471 4.480 0.005 0.000 0.330 227 M C 1.676 177.867 176.300 -0.182 0.000 1.098 227 M CA 0.425 55.686 55.300 -0.066 0.000 1.172 227 M CB 0.805 33.377 32.600 -0.048 0.000 1.467 227 M HN -0.145 nan 8.290 nan 0.000 0.454 228 K N 1.149 121.468 120.400 -0.135 0.000 2.074 228 K HA -0.152 4.171 4.320 0.005 0.000 0.209 228 K C -0.132 176.363 176.600 -0.175 0.000 1.048 228 K CA 1.435 57.631 56.287 -0.151 0.000 0.926 228 K CB -0.008 32.450 32.500 -0.071 0.000 0.713 228 K HN 0.606 nan 8.250 nan 0.000 0.444 229 E N 0.803 120.935 120.200 -0.115 0.000 2.437 229 E HA 0.221 4.574 4.350 0.005 0.000 0.238 229 E C -2.654 173.904 176.600 -0.069 0.000 0.969 229 E CA -2.093 54.272 56.400 -0.060 0.000 0.759 229 E CB 1.676 31.387 29.700 0.017 0.000 1.283 229 E HN -0.027 nan 8.360 nan 0.000 0.416 230 P HA -0.045 nan 4.420 nan 0.000 0.264 230 P C -0.325 176.989 177.300 0.023 0.000 1.183 230 P CA 0.463 63.517 63.100 -0.076 0.000 0.763 230 P CB 0.862 32.495 31.700 -0.113 0.000 0.807 231 T N 0.961 115.529 114.554 0.024 0.000 2.693 231 T HA 0.298 4.651 4.350 0.005 0.000 0.304 231 T C -0.998 173.728 174.700 0.044 0.000 1.471 231 T CA -0.512 61.612 62.100 0.040 0.000 0.993 231 T CB 0.498 69.382 68.868 0.026 0.000 1.554 231 T HN 0.113 nan 8.240 nan 0.000 0.496 232 T N 2.386 116.974 114.554 0.057 0.000 2.784 232 T HA 0.256 4.609 4.350 0.005 0.000 0.291 232 T C 1.697 176.493 174.700 0.159 0.000 0.942 232 T CA 0.299 62.457 62.100 0.096 0.000 1.161 232 T CB 0.362 69.312 68.868 0.136 0.000 0.885 232 T HN 0.633 nan 8.240 nan 0.000 0.534 233 V N 1.109 121.077 119.914 0.091 0.000 3.174 233 V HA 0.656 4.779 4.120 0.005 0.000 0.254 233 V C 0.699 176.798 176.094 0.008 0.000 1.120 233 V CA 0.465 62.812 62.300 0.078 0.000 1.114 233 V CB -0.707 31.135 31.823 0.032 0.000 0.756 233 V HN 0.901 nan 8.190 nan 0.000 0.467 234 A N 0.642 123.448 122.820 -0.022 0.000 2.604 234 A HA 0.778 5.101 4.320 0.005 0.000 0.295 234 A C -0.890 176.685 177.584 -0.014 0.000 1.067 234 A CA -0.243 51.734 52.037 -0.101 0.000 0.683 234 A CB 1.533 20.530 19.000 -0.004 0.000 1.281 234 A HN 0.664 nan 8.150 nan 0.000 0.407 235 E N 0.594 120.791 120.200 -0.006 0.000 2.413 235 E HA 0.858 5.211 4.350 0.005 0.000 0.277 235 E C -1.370 175.343 176.600 0.189 0.000 0.958 235 E CA -0.755 55.703 56.400 0.096 0.000 0.779 235 E CB 2.165 31.931 29.700 0.111 0.000 1.278 235 E HN 1.014 nan 8.360 nan 0.000 0.456 236 I N -0.005 120.672 120.570 0.178 0.000 2.842 236 I HA 0.338 4.511 4.170 0.005 0.000 0.296 236 I C -2.107 174.096 176.117 0.143 0.000 1.538 236 I CA -0.711 60.712 61.300 0.205 0.000 0.994 236 I CB 2.221 40.337 38.000 0.194 0.000 1.372 236 I HN 0.672 nan 8.210 nan 0.000 0.478 237 K N 5.262 125.766 120.400 0.173 0.000 2.244 237 K HA 0.524 4.847 4.320 0.005 0.000 0.260 237 K C -0.090 176.569 176.600 0.099 0.000 0.951 237 K CA -0.525 55.815 56.287 0.088 0.000 0.826 237 K CB 1.404 33.971 32.500 0.112 0.000 1.108 237 K HN 0.586 nan 8.250 nan 0.000 0.433 238 I N -0.170 120.349 120.570 -0.086 0.000 4.154 238 I HA 0.475 4.648 4.170 0.005 0.000 0.334 238 I C 0.305 176.283 176.117 -0.231 0.000 1.371 238 I CA -0.207 61.064 61.300 -0.047 0.000 1.110 238 I CB 1.145 39.123 38.000 -0.037 0.000 1.085 238 I HN 0.647 nan 8.210 nan 0.000 0.398 239 G N 0.565 108.976 108.800 -0.649 0.000 2.325 239 G HA2 0.319 4.282 3.960 0.005 0.000 0.295 239 G HA3 0.319 4.282 3.960 0.005 0.000 0.295 239 G C -0.039 174.516 174.900 -0.575 0.000 1.274 239 G CA 0.066 44.794 45.100 -0.621 0.000 0.857 239 G HN 0.124 nan 8.290 nan 0.000 0.499 240 S N -1.500 114.071 115.700 -0.214 0.000 2.492 240 S HA 0.429 4.902 4.470 0.005 0.000 0.218 240 S C 0.462 175.078 174.600 0.027 0.000 1.016 240 S CA 1.209 59.374 58.200 -0.057 0.000 0.916 240 S CB 0.587 63.862 63.200 0.126 0.000 0.791 240 S HN 0.659 nan 8.310 nan 0.000 0.513 241 E N 0.169 120.409 120.200 0.067 0.000 2.291 241 E HA 0.749 5.102 4.350 0.005 0.000 0.276 241 E C -1.175 175.422 176.600 -0.005 0.000 0.896 241 E CA -0.176 56.275 56.400 0.085 0.000 0.774 241 E CB 1.918 31.761 29.700 0.238 0.000 1.227 241 E HN 0.448 nan 8.360 nan 0.000 0.413 242 A N 3.706 126.440 122.820 -0.143 0.000 2.609 242 A HA 0.783 5.106 4.320 0.005 0.000 0.291 242 A C -0.430 176.918 177.584 -0.394 0.000 1.096 242 A CA -0.595 51.292 52.037 -0.249 0.000 0.684 242 A CB 1.492 20.404 19.000 -0.146 0.000 1.282 242 A HN 0.515 nan 8.150 nan 0.000 0.412 243 R N -0.329 119.906 120.500 -0.441 0.000 2.646 243 R HA 0.177 4.520 4.340 0.005 0.000 0.226 243 R C 0.287 176.462 176.300 -0.209 0.000 0.928 243 R CA 1.067 56.897 56.100 -0.449 0.000 1.010 243 R CB 0.151 30.022 30.300 -0.716 0.000 1.516 243 R HN 0.873 nan 8.270 nan 0.000 0.621 244 S N 0.628 116.220 115.700 -0.180 0.000 2.537 244 S HA 0.769 5.242 4.470 0.005 0.000 0.301 244 S C -0.158 174.353 174.600 -0.148 0.000 1.092 244 S CA -0.676 57.444 58.200 -0.134 0.000 1.048 244 S CB 2.246 65.371 63.200 -0.125 0.000 1.053 244 S HN 0.202 nan 8.310 nan 0.000 0.501 245 I N 0.700 121.173 120.570 -0.162 0.000 2.841 245 I HA 0.737 4.910 4.170 0.005 0.000 0.298 245 I C -1.779 174.195 176.117 -0.238 0.000 1.304 245 I CA -0.273 60.903 61.300 -0.208 0.000 1.019 245 I CB 2.222 40.134 38.000 -0.147 0.000 1.282 245 I HN 0.888 nan 8.210 nan 0.000 0.432 246 E N 3.145 123.145 120.200 -0.333 0.000 2.423 246 E HA 0.600 4.953 4.350 0.005 0.000 0.280 246 E C -1.514 174.888 176.600 -0.331 0.000 1.030 246 E CA -0.409 55.828 56.400 -0.272 0.000 0.812 246 E CB 2.036 31.623 29.700 -0.189 0.000 1.313 246 E HN 0.630 nan 8.360 nan 0.000 0.456 247 T N -0.940 113.529 114.554 -0.142 0.000 2.932 247 T HA 0.663 5.016 4.350 0.005 0.000 0.289 247 T C -0.261 174.542 174.700 0.172 0.000 1.039 247 T CA -0.604 61.443 62.100 -0.089 0.000 1.024 247 T CB 1.120 69.906 68.868 -0.137 0.000 1.090 247 T HN 0.527 nan 8.240 nan 0.000 0.496 248 S N 0.818 116.569 115.700 0.084 0.000 2.516 248 S HA 0.288 4.761 4.470 0.005 0.000 0.282 248 S C 0.249 174.816 174.600 -0.054 0.000 1.286 248 S CA -0.762 57.344 58.200 -0.156 0.000 1.066 248 S CB 0.421 63.352 63.200 -0.449 0.000 0.884 248 S HN 0.818 nan 8.310 nan 0.000 0.491 249 K N 0.850 121.208 120.400 -0.070 0.000 2.447 249 K HA 0.225 4.548 4.320 0.005 0.000 0.205 249 K C -0.090 176.394 176.600 -0.195 0.000 1.059 249 K CA -0.337 55.850 56.287 -0.167 0.000 1.065 249 K CB 0.380 32.705 32.500 -0.291 0.000 0.885 249 K HN 0.608 nan 8.250 nan 0.000 0.545 250 M N 2.419 122.007 119.600 -0.021 0.000 2.200 250 M HA 0.057 4.540 4.480 0.005 0.000 0.355 250 M C -0.025 176.344 176.300 0.114 0.000 1.283 250 M CA -0.155 55.156 55.300 0.018 0.000 1.124 250 M CB 0.608 33.222 32.600 0.023 0.000 1.625 250 M HN 0.028 nan 8.290 nan 0.000 0.463 251 E N 3.382 123.600 120.200 0.030 0.000 2.529 251 E HA 0.242 4.595 4.350 0.005 0.000 0.259 251 E C 0.817 177.467 176.600 0.084 0.000 0.966 251 E CA 1.250 57.663 56.400 0.021 0.000 0.937 251 E CB -0.008 29.677 29.700 -0.025 0.000 0.923 251 E HN 0.994 nan 8.360 nan 0.000 0.468 252 G N 3.953 112.750 108.800 -0.005 0.000 2.213 252 G HA2 -0.251 3.712 3.960 0.005 0.000 0.236 252 G HA3 -0.251 3.712 3.960 0.005 0.000 0.236 252 G C 0.034 174.715 174.900 -0.365 0.000 0.991 252 G CA 0.183 45.186 45.100 -0.162 0.000 0.629 252 G HN 0.649 nan 8.290 nan 0.000 0.517 253 W N 1.878 123.166 121.300 -0.020 0.000 2.771 253 W HA 0.637 5.300 4.660 0.004 0.000 0.412 253 W C 0.286 176.758 176.519 -0.077 0.000 0.965 253 W CA -0.610 56.728 57.345 -0.011 0.000 2.045 253 W CB 0.504 30.047 29.460 0.137 0.000 1.176 253 W HN 0.128 nan 8.180 nan 0.000 0.634 254 E N 1.045 121.266 120.200 0.035 0.000 2.415 254 E HA 0.014 4.367 4.350 0.005 0.000 0.263 254 E C 0.472 177.063 176.600 -0.016 0.000 0.995 254 E CA 0.970 57.370 56.400 0.000 0.000 0.915 254 E CB 0.116 29.800 29.700 -0.026 0.000 0.951 254 E HN 0.042 nan 8.360 nan 0.000 0.449 255 D N 1.944 122.348 120.400 0.007 0.000 3.077 255 D HA -0.210 4.433 4.640 0.005 0.000 0.217 255 D C 0.741 177.003 176.300 -0.063 0.000 1.162 255 D CA 0.880 54.899 54.000 0.032 0.000 0.943 255 D CB -0.436 40.408 40.800 0.074 0.000 1.122 255 D HN 0.376 nan 8.370 nan 0.000 0.413 256 K N -0.962 119.361 120.400 -0.128 0.000 2.076 256 K HA 0.013 4.336 4.320 0.005 0.000 0.204 256 K C 0.626 176.845 176.600 -0.635 0.000 1.051 256 K CA 1.224 57.297 56.287 -0.358 0.000 0.949 256 K CB 0.154 32.523 32.500 -0.218 0.000 0.726 256 K HN 0.335 nan 8.250 nan 0.000 0.443 257 Y N -1.479 118.763 120.300 -0.097 0.000 2.615 257 Y HA 0.536 5.089 4.550 0.005 0.000 0.341 257 Y C -0.544 175.264 175.900 -0.154 0.000 1.089 257 Y CA -1.551 56.479 58.100 -0.116 0.000 1.049 257 Y CB 1.873 40.247 38.460 -0.145 0.000 1.296 257 Y HN -0.083 nan 8.280 nan 0.000 0.470 258 A N 1.736 124.520 122.820 -0.060 0.000 2.454 258 A HA 0.876 5.199 4.320 0.005 0.000 0.302 258 A C -1.798 175.519 177.584 -0.446 0.000 1.079 258 A CA -0.785 50.997 52.037 -0.425 0.000 0.731 258 A CB 1.649 20.201 19.000 -0.746 0.000 1.299 258 A HN 0.760 nan 8.150 nan 0.000 0.413 259 I N 0.452 120.617 120.570 -0.675 0.000 2.619 259 I HA 0.741 4.914 4.170 0.005 0.000 0.292 259 I C -0.476 175.372 176.117 -0.449 0.000 1.100 259 I CA -0.657 60.242 61.300 -0.667 0.000 1.043 259 I CB 1.938 39.175 38.000 -1.271 0.000 1.239 259 I HN 0.917 nan 8.210 nan 0.000 0.420 260 A N 4.694 127.352 122.820 -0.269 0.000 2.401 260 A HA 0.891 5.214 4.320 0.005 0.000 0.310 260 A C -0.574 176.944 177.584 -0.109 0.000 1.075 260 A CA -0.435 51.492 52.037 -0.183 0.000 0.746 260 A CB 1.605 20.529 19.000 -0.127 0.000 1.277 260 A HN 0.856 nan 8.150 nan 0.000 0.425 261 G N -0.117 108.623 108.800 -0.101 0.000 2.452 261 G HA2 0.730 4.693 3.960 0.005 0.000 0.324 261 G HA3 0.730 4.693 3.960 0.005 0.000 0.324 261 G C -0.441 174.437 174.900 -0.036 0.000 1.214 261 G CA 0.125 45.205 45.100 -0.034 0.000 0.947 261 G HN 1.488 nan 8.290 nan 0.000 0.478 262 A N 1.135 123.963 122.820 0.012 0.000 2.355 262 A HA 0.677 5.000 4.320 0.005 0.000 0.324 262 A C -0.030 177.666 177.584 0.188 0.000 1.117 262 A CA -0.654 51.397 52.037 0.023 0.000 0.785 262 A CB 1.195 20.171 19.000 -0.041 0.000 1.254 262 A HN 0.640 nan 8.150 nan 0.000 0.453 263 Y N 0.017 120.334 120.300 0.028 0.000 2.269 263 Y HA 0.101 4.654 4.550 0.005 0.000 0.294 263 Y C 0.615 176.627 175.900 0.186 0.000 1.120 263 Y CA 0.386 58.549 58.100 0.104 0.000 1.159 263 Y CB 0.249 38.787 38.460 0.130 0.000 1.024 263 Y HN 0.672 nan 8.280 nan 0.000 0.532 264 W N 1.529 122.934 121.300 0.175 0.000 3.211 264 W HA 0.304 4.967 4.660 0.005 0.000 0.335 264 W C -3.154 173.385 176.519 0.034 0.000 1.113 264 W CA -2.198 55.203 57.345 0.094 0.000 1.235 264 W CB 2.122 31.634 29.460 0.087 0.000 1.365 264 W HN -0.154 nan 8.180 nan 0.000 0.476 265 P HA 0.185 nan 4.420 nan 0.000 0.274 265 P C -2.566 174.334 177.300 -0.666 0.000 1.246 265 P CA -1.004 61.238 63.100 -1.429 0.000 0.795 265 P CB 0.303 31.489 31.700 -0.856 0.000 1.006 266 P HA 0.100 nan 4.420 nan 0.000 0.271 266 P C -0.806 176.380 177.300 -0.190 0.000 1.380 266 P CA 0.456 63.414 63.100 -0.236 0.000 0.992 266 P CB -0.311 31.288 31.700 -0.168 0.000 1.230 267 Q N 2.815 122.541 119.800 -0.124 0.000 2.702 267 Q HA 0.486 4.829 4.340 0.005 0.000 0.289 267 Q C -1.667 174.312 176.000 -0.036 0.000 0.923 267 Q CA -1.083 54.638 55.803 -0.136 0.000 0.787 267 Q CB 1.101 29.721 28.738 -0.196 0.000 1.476 267 Q HN 0.303 nan 8.270 nan 0.000 0.402 268 Y N -1.637 118.601 120.300 -0.103 0.000 2.545 268 Y HA 0.871 5.425 4.550 0.005 0.000 0.348 268 Y C -1.524 174.298 175.900 -0.130 0.000 1.002 268 Y CA -1.337 56.688 58.100 -0.124 0.000 1.039 268 Y CB 2.039 40.418 38.460 -0.136 0.000 1.271 268 Y HN 0.596 nan 8.280 nan 0.000 0.467 269 V N 4.586 124.525 119.914 0.041 0.000 2.686 269 V HA 0.553 4.676 4.120 0.005 0.000 0.306 269 V C -1.172 174.887 176.094 -0.059 0.000 1.065 269 V CA -0.988 61.279 62.300 -0.055 0.000 0.894 269 V CB 1.503 33.275 31.823 -0.085 0.000 1.004 269 V HN 0.844 nan 8.190 nan 0.000 0.424 270 I N 7.646 128.177 120.570 -0.065 0.000 2.342 270 I HA 0.433 4.606 4.170 0.005 0.000 0.291 270 I C 0.097 176.149 176.117 -0.108 0.000 1.010 270 I CA -0.024 61.205 61.300 -0.118 0.000 1.308 270 I CB 1.483 39.414 38.000 -0.116 0.000 1.400 270 I HN 0.535 nan 8.210 nan 0.000 0.488 271 M N 4.727 124.280 119.600 -0.079 0.000 2.598 271 M HA 0.314 4.797 4.480 0.005 0.000 0.317 271 M C -0.249 176.112 176.300 0.101 0.000 1.179 271 M CA -0.795 54.474 55.300 -0.051 0.000 0.936 271 M CB 1.690 34.227 32.600 -0.104 0.000 1.713 271 M HN 0.442 nan 8.290 nan 0.000 0.460 272 D N 1.142 121.571 120.400 0.049 0.000 2.450 272 D HA 0.006 4.649 4.640 0.005 0.000 0.247 272 D C 0.892 177.194 176.300 0.004 0.000 1.162 272 D CA 0.413 54.443 54.000 0.050 0.000 0.879 272 D CB 1.372 42.167 40.800 -0.008 0.000 1.163 272 D HN 0.853 nan 8.370 nan 0.000 0.472 273 G N 3.474 112.236 108.800 -0.064 0.000 2.559 273 G HA2 -0.191 3.772 3.960 0.005 0.000 0.216 273 G HA3 -0.191 3.772 3.960 0.005 0.000 0.216 273 G C 1.205 176.065 174.900 -0.068 0.000 1.126 273 G CA 0.363 45.447 45.100 -0.028 0.000 0.778 273 G HN 0.618 nan 8.290 nan 0.000 0.543 274 E N -0.988 119.136 120.200 -0.127 0.000 2.372 274 E HA 0.009 4.362 4.350 0.005 0.000 0.201 274 E C 2.306 178.809 176.600 -0.161 0.000 0.938 274 E CA 1.023 57.281 56.400 -0.238 0.000 0.944 274 E CB 0.509 30.131 29.700 -0.130 0.000 0.937 274 E HN 0.503 nan 8.360 nan 0.000 0.495 275 T N -2.422 112.126 114.554 -0.010 0.000 2.975 275 T HA 0.231 4.584 4.350 0.005 0.000 0.261 275 T C 1.097 175.965 174.700 0.281 0.000 0.984 275 T CA -0.300 61.885 62.100 0.142 0.000 0.911 275 T CB 0.462 69.497 68.868 0.278 0.000 1.127 275 T HN 0.111 nan 8.240 nan 0.000 0.514 276 L N 0.255 121.546 121.223 0.112 0.000 4.950 276 L HA -0.151 4.192 4.340 0.005 0.000 0.413 276 L C 0.340 176.993 176.870 -0.361 0.000 1.020 276 L CA 0.496 55.353 54.840 0.029 0.000 1.239 276 L CB -1.644 40.514 42.059 0.164 0.000 2.004 276 L HN 0.568 nan 8.230 nan 0.000 0.658 277 E N 3.640 123.540 120.200 -0.500 0.000 2.480 277 E HA 0.032 4.385 4.350 0.005 0.000 0.258 277 E C -1.897 174.307 176.600 -0.661 0.000 0.984 277 E CA -1.262 54.434 56.400 -1.174 0.000 0.930 277 E CB 0.671 29.931 29.700 -0.733 0.000 0.936 277 E HN 0.082 nan 8.360 nan 0.000 0.466 278 P HA 0.007 nan 4.420 nan 0.000 0.276 278 P C -0.489 176.664 177.300 -0.246 0.000 1.264 278 P CA -0.104 62.791 63.100 -0.342 0.000 0.769 278 P CB 1.079 32.612 31.700 -0.279 0.000 0.840 279 K N 2.049 122.352 120.400 -0.162 0.000 2.214 279 K HA 0.123 4.446 4.320 0.005 0.000 0.201 279 K C 0.593 177.133 176.600 -0.100 0.000 1.049 279 K CA 0.941 57.165 56.287 -0.105 0.000 0.978 279 K CB 0.182 32.658 32.500 -0.041 0.000 0.842 279 K HN 0.289 nan 8.250 nan 0.000 0.474 280 K N 0.713 121.045 120.400 -0.114 0.000 2.581 280 K HA 0.417 4.740 4.320 0.005 0.000 0.249 280 K C -1.513 174.994 176.600 -0.155 0.000 0.966 280 K CA -0.102 56.114 56.287 -0.118 0.000 0.811 280 K CB 1.096 33.535 32.500 -0.101 0.000 1.223 280 K HN -0.112 nan 8.250 nan 0.000 0.438 281 I N 3.880 124.342 120.570 -0.180 0.000 2.378 281 I HA 0.394 4.567 4.170 0.005 0.000 0.291 281 I C -0.369 175.548 176.117 -0.333 0.000 0.992 281 I CA -0.894 60.262 61.300 -0.240 0.000 1.154 281 I CB 1.750 39.649 38.000 -0.167 0.000 1.315 281 I HN 0.313 nan 8.210 nan 0.000 0.448 282 Q N 4.270 123.718 119.800 -0.587 0.000 2.330 282 Q HA 0.335 4.678 4.340 0.005 0.000 0.269 282 Q C -0.593 175.102 176.000 -0.508 0.000 1.022 282 Q CA -0.463 54.964 55.803 -0.628 0.000 0.796 282 Q CB 2.518 30.627 28.738 -1.050 0.000 1.271 282 Q HN 0.696 nan 8.270 nan 0.000 0.450 283 S N 0.898 116.434 115.700 -0.273 0.000 2.580 283 S HA 0.230 4.703 4.470 0.005 0.000 0.274 283 S C 0.871 175.402 174.600 -0.115 0.000 1.329 283 S CA 0.104 58.197 58.200 -0.177 0.000 1.036 283 S CB 0.482 63.618 63.200 -0.108 0.000 0.919 283 S HN 0.653 nan 8.310 nan 0.000 0.515 284 T N 1.730 116.241 114.554 -0.072 0.000 3.092 284 T HA 0.328 4.681 4.350 0.005 0.000 0.258 284 T C 0.479 175.168 174.700 -0.019 0.000 1.031 284 T CA -0.394 61.700 62.100 -0.010 0.000 0.925 284 T CB -0.139 68.746 68.868 0.028 0.000 1.036 284 T HN 0.577 nan 8.240 nan 0.000 0.544 285 R N 1.054 121.545 120.500 -0.015 0.000 2.570 285 R HA 0.543 4.886 4.340 0.005 0.000 0.277 285 R C 0.790 177.119 176.300 0.048 0.000 1.039 285 R CA 0.714 56.815 56.100 0.003 0.000 1.065 285 R CB 0.465 30.828 30.300 0.104 0.000 0.964 285 R HN 0.550 nan 8.270 nan 0.000 0.428 286 G N 1.522 110.294 108.800 -0.047 0.000 2.364 286 G HA2 0.210 4.173 3.960 0.005 0.000 0.286 286 G HA3 0.210 4.173 3.960 0.005 0.000 0.286 286 G C -1.503 173.404 174.900 0.012 0.000 1.241 286 G CA -0.873 44.269 45.100 0.071 0.000 0.887 286 G HN 0.240 nan 8.290 nan 0.000 0.484 287 M N 1.949 121.594 119.600 0.074 0.000 2.318 287 M HA 0.399 4.882 4.480 0.005 0.000 0.347 287 M C 0.763 177.080 176.300 0.029 0.000 1.175 287 M CA -0.677 54.664 55.300 0.067 0.000 1.075 287 M CB 0.662 33.313 32.600 0.084 0.000 1.614 287 M HN 0.780 nan 8.290 nan 0.000 0.456 288 T N -0.151 114.413 114.554 0.016 0.000 2.930 288 T HA 0.109 4.462 4.350 0.005 0.000 0.306 288 T C 1.053 175.745 174.700 -0.014 0.000 1.045 288 T CA -0.357 61.739 62.100 -0.007 0.000 1.134 288 T CB 0.230 69.076 68.868 -0.037 0.000 0.961 288 T HN 0.682 nan 8.240 nan 0.000 0.545 289 Y N 2.501 122.765 120.300 -0.059 0.000 2.224 289 Y HA -0.134 4.419 4.550 0.005 0.000 0.289 289 Y C 1.677 177.557 175.900 -0.032 0.000 1.146 289 Y CA 1.755 59.828 58.100 -0.045 0.000 1.182 289 Y CB -0.659 37.766 38.460 -0.059 0.000 0.983 289 Y HN 0.714 nan 8.280 nan 0.000 0.524 290 D N -0.034 119.658 120.400 -1.181 0.000 2.232 290 D HA -0.120 4.523 4.640 0.005 0.000 0.220 290 D C 1.531 177.610 176.300 -0.369 0.000 0.982 290 D CA 1.455 54.911 54.000 -0.906 0.000 0.892 290 D CB -0.930 39.224 40.800 -1.077 0.000 1.040 290 D HN 0.583 nan 8.370 nan 0.000 0.463 291 E N 0.078 120.116 120.200 -0.271 0.000 2.427 291 E HA -0.016 4.337 4.350 0.005 0.000 0.196 291 E C -0.079 176.472 176.600 -0.083 0.000 1.028 291 E CA 0.047 56.367 56.400 -0.133 0.000 0.864 291 E CB -0.100 29.549 29.700 -0.086 0.000 0.813 291 E HN 0.284 nan 8.360 nan 0.000 0.514 292 Q N 0.953 120.700 119.800 -0.088 0.000 2.454 292 Q HA -0.219 4.124 4.340 0.005 0.000 0.341 292 Q C -0.495 175.512 176.000 0.011 0.000 1.437 292 Q CA 0.674 56.460 55.803 -0.028 0.000 0.935 292 Q CB -1.427 27.299 28.738 -0.022 0.000 1.164 292 Q HN 0.357 nan 8.270 nan 0.000 0.373 293 E N 0.511 120.725 120.200 0.024 0.000 2.238 293 E HA 0.337 4.690 4.350 0.005 0.000 0.267 293 E C -1.118 175.545 176.600 0.105 0.000 0.887 293 E CA -0.900 55.537 56.400 0.061 0.000 0.769 293 E CB 1.138 30.859 29.700 0.035 0.000 1.187 293 E HN 0.243 nan 8.360 nan 0.000 0.416 294 Y N 3.859 124.176 120.300 0.028 0.000 2.620 294 Y HA 0.039 4.592 4.550 0.005 0.000 0.330 294 Y C -0.775 175.166 175.900 0.068 0.000 1.186 294 Y CA 0.467 58.597 58.100 0.049 0.000 1.467 294 Y CB 0.384 38.862 38.460 0.030 0.000 1.262 294 Y HN 0.458 nan 8.280 nan 0.000 0.550 295 H N 8.721 127.340 119.070 -0.752 0.000 2.589 295 H HA 0.278 4.837 4.556 0.005 0.000 0.335 295 H C -2.177 172.678 175.328 -0.789 0.000 1.019 295 H CA -2.443 53.291 56.048 -0.524 0.000 1.213 295 H CB 2.334 31.939 29.762 -0.261 0.000 1.472 295 H HN 0.503 nan 8.280 nan 0.000 0.508 296 P HA 0.030 nan 4.420 nan 0.000 0.245 296 P C 0.086 177.526 177.300 0.232 0.000 1.212 296 P CA 0.564 63.653 63.100 -0.019 0.000 0.774 296 P CB 0.766 32.561 31.700 0.159 0.000 0.999 297 E N 0.551 120.996 120.200 0.409 0.000 3.909 297 E HA 0.279 4.632 4.350 0.005 0.000 0.236 297 E C -2.703 173.994 176.600 0.161 0.000 1.222 297 E CA -1.872 54.759 56.400 0.385 0.000 1.205 297 E CB 0.922 30.898 29.700 0.460 0.000 1.249 297 E HN 0.053 nan 8.360 nan 0.000 0.411 298 P HA 0.209 nan 4.420 nan 0.000 0.274 298 P C -0.877 176.384 177.300 -0.066 0.000 1.504 298 P CA -0.340 62.659 63.100 -0.169 0.000 1.011 298 P CB 0.296 31.893 31.700 -0.173 0.000 1.366 299 R N 1.713 122.172 120.500 -0.069 0.000 2.537 299 R HA 0.221 4.564 4.340 0.005 0.000 0.280 299 R C -0.047 176.284 176.300 0.051 0.000 1.058 299 R CA -0.531 55.550 56.100 -0.033 0.000 1.057 299 R CB 0.381 30.477 30.300 -0.339 0.000 0.973 299 R HN 0.203 nan 8.270 nan 0.000 0.438 300 V N 3.511 123.524 119.914 0.165 0.000 2.455 300 V HA 0.178 4.301 4.120 0.005 0.000 0.273 300 V C 0.793 177.023 176.094 0.228 0.000 1.045 300 V CA 0.236 62.621 62.300 0.141 0.000 0.976 300 V CB 0.791 32.678 31.823 0.106 0.000 0.993 300 V HN 0.996 nan 8.190 nan 0.000 0.475 301 A N 5.253 128.160 122.820 0.145 0.000 3.748 301 A HA 0.876 5.199 4.320 0.005 0.000 0.180 301 A C 0.962 178.546 177.584 0.001 0.000 1.758 301 A CA 0.238 52.354 52.037 0.132 0.000 1.736 301 A CB -0.452 18.613 19.000 0.109 0.000 1.559 301 A HN 1.067 nan 8.150 nan 0.000 0.575 302 A N -0.622 122.175 122.820 -0.039 0.000 2.483 302 A HA 0.509 4.832 4.320 0.005 0.000 0.238 302 A C -0.324 177.225 177.584 -0.058 0.000 1.070 302 A CA 0.390 52.406 52.037 -0.035 0.000 0.770 302 A CB -0.507 18.514 19.000 0.035 0.000 1.008 302 A HN 0.516 nan 8.150 nan 0.000 0.497 303 I N 2.074 122.581 120.570 -0.105 0.000 2.478 303 I HA 0.336 4.509 4.170 0.005 0.000 0.287 303 I C -0.955 175.073 176.117 -0.147 0.000 1.042 303 I CA -0.374 60.821 61.300 -0.176 0.000 1.067 303 I CB 1.679 39.536 38.000 -0.240 0.000 1.233 303 I HN 0.461 nan 8.210 nan 0.000 0.431 304 L N 4.928 126.037 121.223 -0.190 0.000 2.260 304 L HA 0.888 5.231 4.340 0.005 0.000 0.265 304 L C -0.156 176.719 176.870 0.009 0.000 1.015 304 L CA -0.531 54.248 54.840 -0.102 0.000 0.826 304 L CB 1.771 43.706 42.059 -0.207 0.000 1.373 304 L HN 0.645 nan 8.230 nan 0.000 0.450 305 A N -0.032 122.844 122.820 0.094 0.000 2.343 305 A HA 0.658 4.981 4.320 0.005 0.000 0.308 305 A C -0.554 177.102 177.584 0.119 0.000 1.092 305 A CA -0.455 51.662 52.037 0.134 0.000 0.751 305 A CB 1.408 20.503 19.000 0.158 0.000 1.203 305 A HN 0.495 nan 8.150 nan 0.000 0.452 306 S N 0.480 116.197 115.700 0.028 0.000 2.562 306 S HA 0.146 4.619 4.470 0.005 0.000 0.281 306 S C 0.657 175.346 174.600 0.149 0.000 1.333 306 S CA -0.037 58.213 58.200 0.082 0.000 1.052 306 S CB 0.013 63.185 63.200 -0.046 0.000 0.884 306 S HN 0.731 nan 8.310 nan 0.000 0.506 307 H N 2.890 121.994 119.070 0.056 0.000 2.622 307 H HA 0.110 4.668 4.556 0.004 0.000 0.269 307 H C 0.313 175.610 175.328 -0.052 0.000 0.977 307 H CA 0.400 56.450 56.048 0.002 0.000 1.179 307 H CB 0.392 30.160 29.762 0.010 0.000 1.458 307 H HN 0.696 nan 8.280 nan 0.000 0.531 308 Y N 0.460 120.777 120.300 0.028 0.000 2.522 308 Y HA 0.213 4.766 4.550 0.005 0.000 0.277 308 Y C 0.761 176.612 175.900 -0.080 0.000 1.104 308 Y CA 0.341 58.422 58.100 -0.032 0.000 1.260 308 Y CB 0.804 39.225 38.460 -0.065 0.000 1.151 308 Y HN -0.125 nan 8.280 nan 0.000 0.539 309 R N 0.047 120.548 120.500 0.001 0.000 2.774 309 R HA 0.299 4.642 4.340 0.005 0.000 0.272 309 R C -2.787 173.312 176.300 -0.334 0.000 1.000 309 R CA -2.074 53.939 56.100 -0.145 0.000 0.906 309 R CB 1.356 31.566 30.300 -0.151 0.000 1.227 309 R HN -0.281 nan 8.270 nan 0.000 0.468 310 P HA 0.078 nan 4.420 nan 0.000 0.235 310 P C -1.119 175.173 177.300 -1.679 0.000 1.765 310 P CA 0.408 62.778 63.100 -1.217 0.000 1.034 310 P CB 0.108 30.924 31.700 -1.473 0.000 1.984 311 E N 0.684 120.272 120.200 -1.021 0.000 2.393 311 E HA 0.517 4.870 4.350 0.005 0.000 0.273 311 E C -0.918 175.438 176.600 -0.408 0.000 0.918 311 E CA -0.795 55.181 56.400 -0.707 0.000 0.773 311 E CB 1.356 30.817 29.700 -0.399 0.000 1.275 311 E HN 0.042 nan 8.360 nan 0.000 0.451 312 F N 1.051 120.948 119.950 -0.090 0.000 2.432 312 F HA 0.480 5.009 4.527 0.004 0.000 0.329 312 F C 0.148 175.805 175.800 -0.239 0.000 1.076 312 F CA -0.741 57.184 58.000 -0.125 0.000 1.018 312 F CB 0.927 39.831 39.000 -0.159 0.000 1.201 312 F HN 0.226 nan 8.300 nan 0.000 0.489 313 I N 3.371 123.896 120.570 -0.076 0.000 2.354 313 I HA 0.358 4.531 4.170 0.005 0.000 0.286 313 I C -1.158 174.778 176.117 -0.302 0.000 1.007 313 I CA -0.642 60.490 61.300 -0.280 0.000 1.167 313 I CB 1.213 38.891 38.000 -0.537 0.000 1.320 313 I HN 0.110 nan 8.210 nan 0.000 0.458 314 V N 5.627 125.385 119.914 -0.260 0.000 2.384 314 V HA 0.347 4.470 4.120 0.005 0.000 0.287 314 V C -0.052 175.969 176.094 -0.123 0.000 1.020 314 V CA -0.804 61.349 62.300 -0.245 0.000 0.850 314 V CB 1.538 33.119 31.823 -0.404 0.000 0.987 314 V HN 0.579 nan 8.190 nan 0.000 0.436 315 N N 3.092 121.762 118.700 -0.051 0.000 2.444 315 N HA 0.402 5.145 4.740 0.005 0.000 0.271 315 N C -0.620 174.893 175.510 0.005 0.000 1.069 315 N CA -0.130 52.934 53.050 0.024 0.000 0.965 315 N CB 1.846 40.386 38.487 0.089 0.000 1.092 315 N HN 0.447 nan 8.380 nan 0.000 0.476 316 V N 3.861 123.769 119.914 -0.010 0.000 2.313 316 V HA 0.167 4.290 4.120 0.005 0.000 0.278 316 V C 1.560 177.622 176.094 -0.053 0.000 1.017 316 V CA -0.691 61.596 62.300 -0.021 0.000 0.823 316 V CB 1.235 33.043 31.823 -0.025 0.000 1.010 316 V HN 0.677 nan 8.190 nan 0.000 0.443 317 K N 3.476 123.854 120.400 -0.037 0.000 1.980 317 K HA -0.231 4.092 4.320 0.005 0.000 0.223 317 K C 1.672 178.160 176.600 -0.187 0.000 1.052 317 K CA 2.402 58.662 56.287 -0.045 0.000 0.974 317 K CB 0.133 32.647 32.500 0.022 0.000 0.734 317 K HN 0.685 nan 8.250 nan 0.000 0.447 318 E N -0.413 119.625 120.200 -0.271 0.000 2.204 318 E HA -0.127 4.226 4.350 0.005 0.000 0.195 318 E C 1.762 178.072 176.600 -0.485 0.000 0.990 318 E CA 1.850 57.956 56.400 -0.490 0.000 0.821 318 E CB -0.067 29.146 29.700 -0.812 0.000 0.750 318 E HN 0.640 nan 8.360 nan 0.000 0.477 319 T N -3.839 110.522 114.554 -0.322 0.000 3.065 319 T HA 0.240 4.593 4.350 0.005 0.000 0.252 319 T C 1.506 176.179 174.700 -0.047 0.000 1.099 319 T CA 0.188 62.190 62.100 -0.164 0.000 1.063 319 T CB 0.270 69.073 68.868 -0.108 0.000 0.948 319 T HN 0.214 nan 8.240 nan 0.000 0.506 320 G N 2.170 110.898 108.800 -0.119 0.000 2.272 320 G HA2 -0.195 3.768 3.960 0.005 0.000 0.280 320 G HA3 -0.195 3.768 3.960 0.005 0.000 0.280 320 G C -0.306 174.509 174.900 -0.141 0.000 1.067 320 G CA -0.217 44.807 45.100 -0.126 0.000 0.902 320 G HN 0.540 nan 8.290 nan 0.000 0.500 321 K N -0.220 120.129 120.400 -0.085 0.000 2.270 321 K HA 0.669 4.992 4.320 0.005 0.000 0.255 321 K C 0.146 176.713 176.600 -0.054 0.000 0.936 321 K CA -0.842 55.407 56.287 -0.064 0.000 0.809 321 K CB 2.135 34.622 32.500 -0.023 0.000 1.131 321 K HN 0.252 nan 8.250 nan 0.000 0.427 322 I N 4.069 124.607 120.570 -0.053 0.000 2.362 322 I HA 0.317 4.490 4.170 0.005 0.000 0.289 322 I C -0.328 175.760 176.117 -0.048 0.000 0.994 322 I CA -0.816 60.469 61.300 -0.025 0.000 1.158 322 I CB 1.079 39.093 38.000 0.024 0.000 1.315 322 I HN 0.222 nan 8.210 nan 0.000 0.451 323 L N 7.091 128.271 121.223 -0.072 0.000 2.295 323 L HA 0.533 4.875 4.340 0.005 0.000 0.285 323 L C -0.613 176.184 176.870 -0.123 0.000 1.035 323 L CA -0.658 54.131 54.840 -0.085 0.000 0.806 323 L CB 1.289 43.299 42.059 -0.081 0.000 1.214 323 L HN 0.418 nan 8.230 nan 0.000 0.426 324 L N 4.650 125.809 121.223 -0.107 0.000 2.277 324 L HA 0.422 4.765 4.340 0.005 0.000 0.284 324 L C -0.534 176.262 176.870 -0.123 0.000 1.028 324 L CA -0.643 54.119 54.840 -0.130 0.000 0.835 324 L CB 1.586 43.569 42.059 -0.128 0.000 1.215 324 L HN 0.332 nan 8.230 nan 0.000 0.425 325 V N 2.018 121.859 119.914 -0.121 0.000 2.350 325 V HA 0.159 4.282 4.120 0.005 0.000 0.276 325 V C 0.134 176.124 176.094 -0.173 0.000 1.028 325 V CA -0.603 61.646 62.300 -0.084 0.000 0.860 325 V CB 1.580 33.393 31.823 -0.017 0.000 0.990 325 V HN 0.604 nan 8.190 nan 0.000 0.453 326 D N 4.450 124.713 120.400 -0.227 0.000 2.325 326 D HA 0.077 4.720 4.640 0.005 0.000 0.251 326 D C 0.287 176.365 176.300 -0.371 0.000 1.196 326 D CA -0.291 53.465 54.000 -0.406 0.000 0.866 326 D CB 1.164 41.778 40.800 -0.310 0.000 1.101 326 D HN 0.665 nan 8.370 nan 0.000 0.476 327 Y N 1.173 121.205 120.300 -0.447 0.000 2.495 327 Y HA 0.144 4.697 4.550 0.005 0.000 0.293 327 Y C 1.852 177.477 175.900 -0.458 0.000 1.186 327 Y CA -0.048 57.765 58.100 -0.479 0.000 1.266 327 Y CB -0.703 37.404 38.460 -0.590 0.000 1.101 327 Y HN 0.220 nan 8.280 nan 0.000 0.517 328 T N -3.559 110.742 114.554 -0.422 0.000 3.055 328 T HA -0.020 4.333 4.350 0.005 0.000 0.265 328 T C 0.144 174.878 174.700 0.056 0.000 1.111 328 T CA 0.877 62.859 62.100 -0.196 0.000 1.118 328 T CB 0.004 68.771 68.868 -0.168 0.000 0.909 328 T HN 0.315 nan 8.240 nan 0.000 0.501 329 D N -0.126 120.262 120.400 -0.020 0.000 2.470 329 D HA 0.264 4.907 4.640 0.005 0.000 0.233 329 D C 0.469 176.757 176.300 -0.020 0.000 1.372 329 D CA -0.467 53.543 54.000 0.017 0.000 0.994 329 D CB 1.124 41.927 40.800 0.006 0.000 1.377 329 D HN 0.145 nan 8.370 nan 0.000 0.586 330 L N 2.669 123.886 121.223 -0.009 0.000 2.509 330 L HA 0.149 4.492 4.340 0.005 0.000 0.222 330 L C 1.542 178.397 176.870 -0.026 0.000 1.123 330 L CA 0.398 55.214 54.840 -0.039 0.000 0.856 330 L CB -0.041 41.981 42.059 -0.061 0.000 0.985 330 L HN 0.255 nan 8.230 nan 0.000 0.456 331 N N -0.242 118.453 118.700 -0.009 0.000 2.305 331 N HA -0.015 4.728 4.740 0.005 0.000 0.179 331 N C 0.380 175.881 175.510 -0.015 0.000 1.019 331 N CA 0.474 53.517 53.050 -0.011 0.000 0.869 331 N CB 0.270 38.758 38.487 0.001 0.000 1.000 331 N HN 0.201 nan 8.380 nan 0.000 0.431 332 N N 1.632 120.324 118.700 -0.013 0.000 3.091 332 N HA 0.120 4.863 4.740 0.005 0.000 0.255 332 N C -1.292 174.202 175.510 -0.027 0.000 1.204 332 N CA -0.240 52.799 53.050 -0.017 0.000 0.990 332 N CB 1.075 39.555 38.487 -0.012 0.000 1.260 332 N HN 0.119 nan 8.380 nan 0.000 0.502 333 L N 1.808 123.013 121.223 -0.030 0.000 2.385 333 L HA 0.123 4.466 4.340 0.005 0.000 0.281 333 L C 0.279 177.127 176.870 -0.038 0.000 1.106 333 L CA 0.203 55.022 54.840 -0.035 0.000 0.856 333 L CB 0.071 42.114 42.059 -0.027 0.000 1.186 333 L HN 0.075 nan 8.230 nan 0.000 0.453 334 K N 3.648 124.013 120.400 -0.057 0.000 2.227 334 K HA 0.508 4.831 4.320 0.005 0.000 0.280 334 K C -0.245 176.316 176.600 -0.066 0.000 1.041 334 K CA -0.297 55.952 56.287 -0.063 0.000 0.905 334 K CB 0.955 33.404 32.500 -0.084 0.000 1.068 334 K HN 0.752 nan 8.250 nan 0.000 0.470 335 T N -1.209 113.317 114.554 -0.047 0.000 2.883 335 T HA 0.388 4.741 4.350 0.005 0.000 0.301 335 T C -0.492 174.182 174.700 -0.044 0.000 1.158 335 T CA -0.822 61.252 62.100 -0.043 0.000 1.007 335 T CB 1.825 70.692 68.868 -0.002 0.000 1.186 335 T HN 0.255 nan 8.240 nan 0.000 0.499 336 T N 1.948 116.470 114.554 -0.053 0.000 2.815 336 T HA 0.434 4.787 4.350 0.005 0.000 0.289 336 T C -0.688 173.987 174.700 -0.041 0.000 1.000 336 T CA -0.578 61.492 62.100 -0.050 0.000 0.958 336 T CB 1.236 70.065 68.868 -0.065 0.000 0.944 336 T HN 0.789 nan 8.240 nan 0.000 0.442 337 E N 4.588 124.772 120.200 -0.026 0.000 2.014 337 E HA 0.301 4.654 4.350 0.005 0.000 0.275 337 E C -0.628 175.957 176.600 -0.025 0.000 0.997 337 E CA -0.442 55.947 56.400 -0.018 0.000 0.804 337 E CB 0.335 30.035 29.700 0.000 0.000 1.090 337 E HN 0.585 nan 8.360 nan 0.000 0.401 338 I N 3.443 123.989 120.570 -0.041 0.000 2.312 338 I HA 0.084 4.257 4.170 0.005 0.000 0.291 338 I C 0.277 176.350 176.117 -0.074 0.000 1.031 338 I CA -0.406 60.861 61.300 -0.056 0.000 1.293 338 I CB 1.506 39.465 38.000 -0.070 0.000 1.403 338 I HN 0.364 nan 8.210 nan 0.000 0.484 339 S N 5.247 120.911 115.700 -0.060 0.000 2.488 339 S HA 0.394 4.867 4.470 0.005 0.000 0.278 339 S C 0.578 175.003 174.600 -0.293 0.000 1.259 339 S CA -0.254 57.894 58.200 -0.086 0.000 1.061 339 S CB 1.054 64.305 63.200 0.085 0.000 0.910 339 S HN 0.793 nan 8.310 nan 0.000 0.491 340 A N 3.617 126.112 122.820 -0.542 0.000 2.611 340 A HA 0.804 5.127 4.320 0.005 0.000 0.208 340 A C -0.105 176.901 177.584 -0.962 0.000 1.958 340 A CA -0.170 51.533 52.037 -0.557 0.000 1.718 340 A CB 0.105 18.908 19.000 -0.329 0.000 1.357 340 A HN 0.592 nan 8.150 nan 0.000 0.428 341 E N -0.270 119.521 120.200 -0.681 0.000 2.366 341 E HA 0.506 4.859 4.350 0.005 0.000 0.278 341 E C -1.115 175.352 176.600 -0.222 0.000 0.923 341 E CA -0.509 55.608 56.400 -0.472 0.000 0.761 341 E CB 1.251 30.841 29.700 -0.184 0.000 1.231 341 E HN 0.430 nan 8.360 nan 0.000 0.443 342 R N 2.208 122.680 120.500 -0.047 0.000 2.694 342 R HA 0.326 4.669 4.340 0.005 0.000 0.268 342 R C -0.359 175.762 176.300 -0.298 0.000 1.061 342 R CA 0.126 56.028 56.100 -0.330 0.000 1.133 342 R CB 0.095 30.019 30.300 -0.627 0.000 1.020 342 R HN 0.656 nan 8.270 nan 0.000 0.475 343 F N -1.263 118.702 119.950 0.025 0.000 2.937 343 F HA -0.200 4.330 4.527 0.005 0.000 0.290 343 F C -0.105 175.722 175.800 0.044 0.000 0.802 343 F CA -0.226 57.789 58.000 0.026 0.000 1.336 343 F CB -2.170 36.846 39.000 0.028 0.000 1.438 343 F HN 0.405 nan 8.300 nan 0.000 0.469 344 L N 0.318 121.600 121.223 0.098 0.000 2.490 344 L HA 0.203 4.546 4.340 0.005 0.000 0.274 344 L C 1.363 178.351 176.870 0.197 0.000 1.201 344 L CA 0.590 55.486 54.840 0.093 0.000 0.869 344 L CB 0.611 42.686 42.059 0.026 0.000 1.123 344 L HN 0.376 nan 8.230 nan 0.000 0.484 345 H N 0.743 119.856 119.070 0.070 0.000 5.120 345 H HA 0.212 4.771 4.556 0.005 0.000 0.090 345 H C -0.687 174.693 175.328 0.088 0.000 1.292 345 H CA 0.171 56.275 56.048 0.094 0.000 0.528 345 H CB 0.482 30.299 29.762 0.093 0.000 1.593 345 H HN 0.716 nan 8.280 nan 0.000 0.138 346 D N -0.041 120.340 120.400 -0.032 0.000 2.442 346 D HA 0.562 5.205 4.640 0.005 0.000 0.254 346 D C 0.364 176.693 176.300 0.050 0.000 1.069 346 D CA -0.307 53.662 54.000 -0.051 0.000 1.017 346 D CB 1.867 42.597 40.800 -0.118 0.000 1.172 346 D HN 0.717 nan 8.370 nan 0.000 0.561 347 G N -2.568 106.318 108.800 0.143 0.000 2.349 347 G HA2 0.604 4.567 3.960 0.005 0.000 0.294 347 G HA3 0.604 4.567 3.960 0.005 0.000 0.294 347 G C -1.194 173.920 174.900 0.356 0.000 1.380 347 G CA -0.370 44.827 45.100 0.161 0.000 0.811 347 G HN 0.848 nan 8.290 nan 0.000 0.519 348 G N -1.432 107.588 108.800 0.368 0.000 2.684 348 G HA2 0.662 4.625 3.960 0.005 0.000 0.290 348 G HA3 0.662 4.625 3.960 0.005 0.000 0.290 348 G C -1.057 174.140 174.900 0.495 0.000 1.425 348 G CA -0.874 44.548 45.100 0.536 0.000 0.822 348 G HN 0.691 nan 8.290 nan 0.000 0.482 349 L N 1.319 122.904 121.223 0.602 0.000 2.399 349 L HA 0.311 4.654 4.340 0.005 0.000 0.266 349 L C 0.799 177.790 176.870 0.203 0.000 1.114 349 L CA -1.020 54.006 54.840 0.310 0.000 0.804 349 L CB 0.986 43.175 42.059 0.217 0.000 1.146 349 L HN 0.767 nan 8.230 nan 0.000 0.451 350 D N 1.272 121.726 120.400 0.090 0.000 2.380 350 D HA -0.023 4.620 4.640 0.005 0.000 0.254 350 D C 1.135 177.376 176.300 -0.099 0.000 1.288 350 D CA 0.055 54.113 54.000 0.096 0.000 1.008 350 D CB 0.766 41.678 40.800 0.185 0.000 1.099 350 D HN 0.610 nan 8.370 nan 0.000 0.537 351 G N -0.724 108.032 108.800 -0.073 0.000 2.450 351 G HA2 -0.278 3.685 3.960 0.005 0.000 0.220 351 G HA3 -0.278 3.685 3.960 0.005 0.000 0.220 351 G C 1.521 176.236 174.900 -0.307 0.000 1.130 351 G CA 1.355 46.326 45.100 -0.216 0.000 0.760 351 G HN 0.597 nan 8.290 nan 0.000 0.557 352 S N -0.854 114.784 115.700 -0.103 0.000 2.561 352 S HA 0.038 4.511 4.470 0.005 0.000 0.225 352 S C 1.029 175.685 174.600 0.094 0.000 0.977 352 S CA 0.827 59.046 58.200 0.032 0.000 0.926 352 S CB -0.413 62.875 63.200 0.147 0.000 0.769 352 S HN 0.644 nan 8.310 nan 0.000 0.533 353 H N -0.293 118.783 119.070 0.011 0.000 2.958 353 H HA -0.150 4.408 4.556 0.004 0.000 0.274 353 H C 1.242 176.575 175.328 0.009 0.000 1.184 353 H CA 1.085 57.063 56.048 -0.116 0.000 1.143 353 H CB -1.375 28.153 29.762 -0.389 0.000 1.297 353 H HN 0.526 nan 8.280 nan 0.000 0.356 354 R N -0.257 120.221 120.500 -0.037 0.000 2.167 354 R HA 0.133 4.476 4.340 0.005 0.000 0.201 354 R C -0.341 175.568 176.300 -0.650 0.000 1.024 354 R CA 0.466 56.196 56.100 -0.615 0.000 1.053 354 R CB 0.618 30.316 30.300 -1.002 0.000 0.987 354 R HN 0.204 nan 8.270 nan 0.000 0.493 355 Y N -0.113 120.138 120.300 -0.083 0.000 2.341 355 Y HA 0.296 4.849 4.550 0.005 0.000 0.337 355 Y C -0.735 175.133 175.900 -0.053 0.000 1.014 355 Y CA -1.338 56.695 58.100 -0.111 0.000 1.111 355 Y CB 1.260 39.656 38.460 -0.107 0.000 1.194 355 Y HN -0.089 nan 8.280 nan 0.000 0.462 356 F N 5.210 125.090 119.950 -0.117 0.000 2.411 356 F HA 0.583 5.113 4.527 0.004 0.000 0.355 356 F C -0.830 174.808 175.800 -0.269 0.000 1.117 356 F CA -1.790 56.121 58.000 -0.148 0.000 1.139 356 F CB 0.172 39.099 39.000 -0.122 0.000 1.120 356 F HN 0.333 nan 8.300 nan 0.000 0.493 357 I N 5.940 126.059 120.570 -0.752 0.000 2.355 357 I HA 0.308 4.481 4.170 0.005 0.000 0.288 357 I C -0.112 175.342 176.117 -1.105 0.000 0.999 357 I CA -0.419 60.278 61.300 -1.006 0.000 1.163 357 I CB 1.750 38.921 38.000 -1.382 0.000 1.316 357 I HN 0.565 nan 8.210 nan 0.000 0.454 358 T N 4.675 118.664 114.554 -0.941 0.000 2.900 358 T HA 0.729 5.082 4.350 0.005 0.000 0.295 358 T C -0.796 173.730 174.700 -0.291 0.000 1.044 358 T CA -0.514 61.196 62.100 -0.649 0.000 0.995 358 T CB 1.531 69.877 68.868 -0.871 0.000 1.072 358 T HN 0.609 nan 8.240 nan 0.000 0.473 359 A N 2.623 125.383 122.820 -0.100 0.000 2.309 359 A HA 0.703 5.026 4.320 0.005 0.000 0.290 359 A C 0.557 178.157 177.584 0.026 0.000 1.206 359 A CA -0.344 51.687 52.037 -0.010 0.000 0.850 359 A CB -0.002 19.023 19.000 0.042 0.000 1.118 359 A HN 1.151 nan 8.150 nan 0.000 0.523 360 A N 3.680 126.514 122.820 0.024 0.000 3.016 360 A HA 0.366 4.689 4.320 0.005 0.000 0.303 360 A C 1.134 178.793 177.584 0.125 0.000 1.507 360 A CA -0.288 51.797 52.037 0.080 0.000 1.196 360 A CB -0.741 18.281 19.000 0.037 0.000 1.169 360 A HN 1.010 nan 8.150 nan 0.000 0.544 361 N N 2.496 121.276 118.700 0.134 0.000 2.061 361 N HA -0.247 4.496 4.740 0.005 0.000 0.193 361 N C 1.387 176.942 175.510 0.075 0.000 1.030 361 N CA 2.251 55.359 53.050 0.097 0.000 0.856 361 N CB -0.508 38.023 38.487 0.074 0.000 1.023 361 N HN 0.482 nan 8.380 nan 0.000 0.424 362 A N -0.086 122.774 122.820 0.067 0.000 2.121 362 A HA 0.041 4.364 4.320 0.005 0.000 0.218 362 A C 2.002 179.610 177.584 0.040 0.000 1.154 362 A CA 0.757 52.758 52.037 -0.059 0.000 0.679 362 A CB -0.316 18.415 19.000 -0.449 0.000 0.795 362 A HN 0.386 nan 8.150 nan 0.000 0.458 363 R N -0.781 119.808 120.500 0.147 0.000 2.432 363 R HA 0.095 4.438 4.340 0.005 0.000 0.260 363 R C -0.319 176.039 176.300 0.097 0.000 0.935 363 R CA 0.063 56.247 56.100 0.140 0.000 1.080 363 R CB 0.186 30.605 30.300 0.199 0.000 1.155 363 R HN 0.438 nan 8.270 nan 0.000 0.531 364 N N 1.560 120.315 118.700 0.092 0.000 2.725 364 N HA -0.161 4.582 4.740 0.005 0.000 0.249 364 N C -0.907 174.654 175.510 0.085 0.000 1.103 364 N CA 1.329 54.438 53.050 0.098 0.000 0.707 364 N CB -0.653 37.886 38.487 0.087 0.000 1.043 364 N HN 0.207 nan 8.380 nan 0.000 0.553 365 K N 0.387 120.825 120.400 0.064 0.000 2.267 365 K HA 0.569 4.892 4.320 0.005 0.000 0.246 365 K C 0.442 177.040 176.600 -0.003 0.000 0.954 365 K CA -0.600 55.705 56.287 0.029 0.000 0.824 365 K CB 1.896 34.402 32.500 0.010 0.000 1.167 365 K HN 0.039 nan 8.250 nan 0.000 0.431 366 L N 1.799 123.002 121.223 -0.034 0.000 2.313 366 L HA 0.417 4.760 4.340 0.005 0.000 0.283 366 L C -0.521 176.242 176.870 -0.178 0.000 1.013 366 L CA -1.180 53.600 54.840 -0.100 0.000 0.816 366 L CB 1.848 43.870 42.059 -0.061 0.000 1.236 366 L HN 0.134 nan 8.230 nan 0.000 0.419 367 V N 4.324 124.079 119.914 -0.265 0.000 2.435 367 V HA 0.419 4.542 4.120 0.005 0.000 0.290 367 V C -0.036 175.802 176.094 -0.426 0.000 1.030 367 V CA -0.616 61.503 62.300 -0.303 0.000 0.881 367 V CB 2.145 33.799 31.823 -0.281 0.000 0.983 367 V HN 0.405 nan 8.190 nan 0.000 0.445 368 V N 5.942 125.592 119.914 -0.440 0.000 2.448 368 V HA 0.526 4.649 4.120 0.005 0.000 0.295 368 V C -0.388 175.440 176.094 -0.443 0.000 1.025 368 V CA -0.522 61.432 62.300 -0.577 0.000 0.859 368 V CB 1.702 32.954 31.823 -0.951 0.000 0.988 368 V HN 0.569 nan 8.190 nan 0.000 0.431 369 I N 3.238 123.635 120.570 -0.289 0.000 2.474 369 I HA 0.409 4.582 4.170 0.005 0.000 0.294 369 I C -0.244 175.822 176.117 -0.086 0.000 1.005 369 I CA -0.551 60.663 61.300 -0.143 0.000 1.113 369 I CB 1.896 39.897 38.000 0.001 0.000 1.289 369 I HN 0.587 nan 8.210 nan 0.000 0.436 370 D N 4.131 124.474 120.400 -0.094 0.000 2.365 370 D HA 0.093 4.736 4.640 0.005 0.000 0.237 370 D C 1.280 177.435 176.300 -0.241 0.000 1.190 370 D CA -0.098 53.800 54.000 -0.170 0.000 0.867 370 D CB 1.181 41.938 40.800 -0.072 0.000 1.050 370 D HN 0.696 nan 8.370 nan 0.000 0.491 371 T N 1.107 115.465 114.554 -0.326 0.000 3.035 371 T HA -0.103 4.250 4.350 0.005 0.000 0.268 371 T C 1.572 176.124 174.700 -0.246 0.000 1.109 371 T CA 0.768 62.723 62.100 -0.241 0.000 1.119 371 T CB 0.135 68.894 68.868 -0.182 0.000 0.900 371 T HN 0.361 nan 8.240 nan 0.000 0.503 372 K N 0.643 120.812 120.400 -0.385 0.000 2.044 372 K HA -0.010 4.313 4.320 0.005 0.000 0.204 372 K C 2.024 178.543 176.600 -0.134 0.000 1.049 372 K CA 0.978 57.117 56.287 -0.247 0.000 0.945 372 K CB 0.138 32.421 32.500 -0.361 0.000 0.724 372 K HN 0.183 nan 8.250 nan 0.000 0.440 373 E N -0.408 119.705 120.200 -0.146 0.000 2.447 373 E HA 0.043 4.396 4.350 0.005 0.000 0.195 373 E C 0.546 177.095 176.600 -0.085 0.000 1.028 373 E CA 0.720 57.067 56.400 -0.088 0.000 0.876 373 E CB 0.646 30.308 29.700 -0.064 0.000 0.885 373 E HN 0.563 nan 8.360 nan 0.000 0.500 374 G N 2.214 110.950 108.800 -0.107 0.000 2.298 374 G HA2 -0.301 3.662 3.960 0.005 0.000 0.287 374 G HA3 -0.301 3.662 3.960 0.005 0.000 0.287 374 G C -0.148 174.703 174.900 -0.081 0.000 1.075 374 G CA 0.821 45.864 45.100 -0.096 0.000 0.960 374 G HN 0.201 nan 8.290 nan 0.000 0.502 375 K N -1.251 119.099 120.400 -0.085 0.000 2.536 375 K HA 0.632 4.955 4.320 0.005 0.000 0.269 375 K C -0.448 176.093 176.600 -0.099 0.000 0.965 375 K CA -1.294 54.946 56.287 -0.078 0.000 0.860 375 K CB 2.043 34.505 32.500 -0.063 0.000 1.423 375 K HN 0.204 nan 8.250 nan 0.000 0.438 376 L N 1.824 122.984 121.223 -0.105 0.000 2.416 376 L HA 0.091 4.434 4.340 0.005 0.000 0.272 376 L C 0.166 176.939 176.870 -0.162 0.000 1.161 376 L CA 0.519 55.272 54.840 -0.144 0.000 0.845 376 L CB 1.113 43.091 42.059 -0.135 0.000 1.119 376 L HN 0.618 nan 8.230 nan 0.000 0.464 377 V N 4.162 123.925 119.914 -0.252 0.000 3.151 377 V HA 0.603 4.726 4.120 0.005 0.000 0.241 377 V C 0.581 176.492 176.094 -0.306 0.000 1.173 377 V CA 0.699 62.817 62.300 -0.303 0.000 1.154 377 V CB 0.025 31.530 31.823 -0.530 0.000 0.898 377 V HN 0.970 nan 8.190 nan 0.000 0.473 378 A N -0.320 122.293 122.820 -0.344 0.000 2.586 378 A HA 0.790 5.113 4.320 0.005 0.000 0.291 378 A C -1.753 175.707 177.584 -0.207 0.000 1.062 378 A CA -0.352 51.546 52.037 -0.231 0.000 0.666 378 A CB 1.367 20.250 19.000 -0.196 0.000 1.281 378 A HN 0.095 nan 8.150 nan 0.000 0.421 379 I N 1.268 121.762 120.570 -0.126 0.000 2.534 379 I HA 0.426 4.599 4.170 0.005 0.000 0.286 379 I C -1.124 174.960 176.117 -0.055 0.000 1.094 379 I CA -0.408 60.828 61.300 -0.108 0.000 1.055 379 I CB 2.031 39.973 38.000 -0.096 0.000 1.225 379 I HN 0.554 nan 8.210 nan 0.000 0.435 380 E N 4.390 124.564 120.200 -0.043 0.000 2.293 380 E HA 0.280 4.633 4.350 0.005 0.000 0.270 380 E C -1.378 175.227 176.600 0.008 0.000 0.879 380 E CA -0.678 55.717 56.400 -0.009 0.000 0.756 380 E CB 3.033 32.736 29.700 0.004 0.000 1.208 380 E HN 0.479 nan 8.360 nan 0.000 0.428 381 D N 1.269 121.680 120.400 0.018 0.000 2.351 381 D HA 0.031 4.674 4.640 0.005 0.000 0.251 381 D C 0.954 177.281 176.300 0.044 0.000 1.137 381 D CA 0.135 54.156 54.000 0.034 0.000 0.879 381 D CB 1.200 42.017 40.800 0.029 0.000 1.181 381 D HN 0.431 nan 8.370 nan 0.000 0.448 382 T N 0.581 115.184 114.554 0.082 0.000 3.085 382 T HA 0.155 4.508 4.350 0.005 0.000 0.263 382 T C 1.488 176.218 174.700 0.049 0.000 1.127 382 T CA 0.689 62.857 62.100 0.112 0.000 1.103 382 T CB 0.065 69.104 68.868 0.285 0.000 0.921 382 T HN 0.660 nan 8.240 nan 0.000 0.510 383 G N 0.288 109.098 108.800 0.017 0.000 2.179 383 G HA2 -0.028 3.935 3.960 0.005 0.000 0.260 383 G HA3 -0.028 3.935 3.960 0.005 0.000 0.260 383 G C 0.354 175.190 174.900 -0.106 0.000 0.977 383 G CA -0.072 45.009 45.100 -0.032 0.000 0.641 383 G HN 1.110 nan 8.290 nan 0.000 0.533 384 G N -1.424 107.277 108.800 -0.166 0.000 2.735 384 G HA2 0.623 4.586 3.960 0.005 0.000 0.301 384 G HA3 0.623 4.586 3.960 0.005 0.000 0.301 384 G C -0.761 174.053 174.900 -0.143 0.000 1.279 384 G CA -0.481 44.359 45.100 -0.434 0.000 1.019 384 G HN 0.190 nan 8.290 nan 0.000 0.497 385 Q N 0.851 120.585 119.800 -0.109 0.000 2.340 385 Q HA 0.411 4.754 4.340 0.005 0.000 0.259 385 Q C -0.423 175.685 176.000 0.179 0.000 0.964 385 Q CA -0.140 55.693 55.803 0.050 0.000 0.900 385 Q CB 1.106 29.846 28.738 0.004 0.000 1.228 385 Q HN 0.726 nan 8.270 nan 0.000 0.449 386 T N 2.457 117.115 114.554 0.174 0.000 3.389 386 T HA -0.090 4.263 4.350 0.005 0.000 0.422 386 T C -2.437 172.344 174.700 0.136 0.000 0.767 386 T CA -0.241 61.937 62.100 0.131 0.000 2.199 386 T CB -1.118 67.789 68.868 0.065 0.000 1.700 386 T HN 0.451 nan 8.240 nan 0.000 0.698 387 P HA 0.104 nan 4.420 nan 0.000 0.268 387 P C -0.282 176.971 177.300 -0.078 0.000 1.204 387 P CA 0.286 63.207 63.100 -0.299 0.000 0.768 387 P CB 0.535 32.101 31.700 -0.223 0.000 0.842 388 H N 5.804 124.746 119.070 -0.214 0.000 2.808 388 H HA 0.216 4.774 4.556 0.005 0.000 0.268 388 H C -2.150 173.087 175.328 -0.150 0.000 1.306 388 H CA -1.902 54.077 56.048 -0.115 0.000 1.565 388 H CB 1.681 31.358 29.762 -0.141 0.000 1.632 388 H HN 0.225 nan 8.280 nan 0.000 0.525 389 P HA 0.081 nan 4.420 nan 0.000 0.230 389 P C 1.012 178.296 177.300 -0.027 0.000 1.168 389 P CA 1.496 64.517 63.100 -0.131 0.000 0.793 389 P CB 1.252 32.944 31.700 -0.015 0.000 0.851 390 G N 1.732 110.484 108.800 -0.080 0.000 2.536 390 G HA2 -0.337 3.626 3.960 0.005 0.000 0.280 390 G HA3 -0.337 3.626 3.960 0.005 0.000 0.280 390 G C 0.863 175.848 174.900 0.141 0.000 1.152 390 G CA 0.332 45.571 45.100 0.231 0.000 0.970 390 G HN 0.289 nan 8.290 nan 0.000 0.549 391 R N 1.623 122.164 120.500 0.069 0.000 2.334 391 R HA 0.452 4.795 4.340 0.005 0.000 0.216 391 R C 1.393 177.731 176.300 0.063 0.000 0.905 391 R CA 1.130 57.161 56.100 -0.115 0.000 1.064 391 R CB 0.000 29.842 30.300 -0.764 0.000 1.046 391 R HN 2.038 nan 8.270 nan 0.000 0.508 392 G N 0.524 109.322 108.800 -0.005 0.000 2.741 392 G HA2 -0.105 3.858 3.960 0.005 0.000 0.222 392 G HA3 -0.105 3.858 3.960 0.005 0.000 0.222 392 G C -0.959 173.829 174.900 -0.186 0.000 1.364 392 G CA -0.494 44.364 45.100 -0.404 0.000 0.866 392 G HN 0.362 nan 8.290 nan 0.000 0.555 393 A N 0.267 122.851 122.820 -0.392 0.000 2.357 393 A HA 0.727 5.050 4.320 0.005 0.000 0.295 393 A C -0.264 177.415 177.584 0.158 0.000 1.121 393 A CA -0.537 51.541 52.037 0.069 0.000 0.742 393 A CB 0.999 20.108 19.000 0.181 0.000 1.181 393 A HN 0.770 nan 8.150 nan 0.000 0.454 394 N N 1.987 120.866 118.700 0.299 0.000 2.438 394 N HA 0.764 5.507 4.740 0.005 0.000 0.282 394 N C -0.934 174.761 175.510 0.307 0.000 1.037 394 N CA 0.258 53.464 53.050 0.260 0.000 0.942 394 N CB 1.508 40.121 38.487 0.210 0.000 1.136 394 N HN 0.664 nan 8.380 nan 0.000 0.481 395 F N -1.882 118.134 119.950 0.110 0.000 2.741 395 F HA 0.515 5.045 4.527 0.006 0.000 0.313 395 F C -1.305 174.546 175.800 0.085 0.000 1.153 395 F CA -1.197 56.853 58.000 0.084 0.000 0.931 395 F CB 0.680 39.739 39.000 0.098 0.000 1.335 395 F HN -0.018 nan 8.300 nan 0.000 0.460 396 V N 2.524 122.609 119.914 0.285 0.000 2.334 396 V HA 0.199 4.322 4.120 0.005 0.000 0.267 396 V C -0.034 176.229 176.094 0.281 0.000 1.040 396 V CA -0.412 61.977 62.300 0.148 0.000 0.866 396 V CB 0.208 32.095 31.823 0.107 0.000 1.019 396 V HN 0.833 nan 8.190 nan 0.000 0.468 397 H N 8.122 127.246 119.070 0.091 0.000 2.803 397 H HA 0.143 4.702 4.556 0.006 0.000 0.330 397 H C -1.722 173.642 175.328 0.061 0.000 1.057 397 H CA -1.551 54.616 56.048 0.198 0.000 1.458 397 H CB 2.001 31.862 29.762 0.165 0.000 1.470 397 H HN 0.343 nan 8.280 nan 0.000 0.560 398 P HA -0.141 nan 4.420 nan 0.000 0.217 398 P C 0.931 178.241 177.300 0.016 0.000 1.151 398 P CA 1.730 64.796 63.100 -0.058 0.000 0.849 398 P CB 0.412 32.016 31.700 -0.161 0.000 0.787 399 T N -2.637 111.975 114.554 0.098 0.000 3.056 399 T HA 0.125 4.478 4.350 0.005 0.000 0.241 399 T C 1.151 175.825 174.700 -0.044 0.000 1.006 399 T CA 0.454 62.527 62.100 -0.046 0.000 1.115 399 T CB -0.483 68.208 68.868 -0.295 0.000 0.939 399 T HN -0.089 nan 8.240 nan 0.000 0.462 400 F N 1.876 121.897 119.950 0.120 0.000 2.512 400 F HA 0.399 4.929 4.527 0.005 0.000 0.296 400 F C 1.918 177.507 175.800 -0.352 0.000 1.110 400 F CA 0.178 58.071 58.000 -0.178 0.000 1.446 400 F CB -0.916 37.830 39.000 -0.424 0.000 1.092 400 F HN 0.378 nan 8.300 nan 0.000 0.554 401 G N -0.291 108.431 108.800 -0.130 0.000 2.545 401 G HA2 -0.192 3.771 3.960 0.005 0.000 0.216 401 G HA3 -0.192 3.771 3.960 0.005 0.000 0.216 401 G C -2.819 171.913 174.900 -0.280 0.000 1.314 401 G CA -1.254 43.568 45.100 -0.462 0.000 0.906 401 G HN -0.021 nan 8.290 nan 0.000 0.563 402 P HA 0.402 nan 4.420 nan 0.000 0.263 402 P C 0.199 177.351 177.300 -0.246 0.000 1.195 402 P CA 0.727 63.713 63.100 -0.189 0.000 0.762 402 P CB 0.957 32.584 31.700 -0.121 0.000 0.799 403 V N 0.965 120.710 119.914 -0.281 0.000 3.159 403 V HA 0.743 4.866 4.120 0.005 0.000 0.308 403 V C -1.817 174.187 176.094 -0.150 0.000 1.190 403 V CA -1.208 60.927 62.300 -0.275 0.000 1.037 403 V CB 2.386 33.973 31.823 -0.393 0.000 1.060 403 V HN 0.581 nan 8.190 nan 0.000 0.437 404 W N 1.681 122.858 121.300 -0.204 0.000 2.785 404 W HA 0.873 5.537 4.660 0.006 0.000 0.333 404 W C -0.440 176.068 176.519 -0.019 0.000 1.062 404 W CA -0.109 57.206 57.345 -0.052 0.000 1.233 404 W CB 1.886 31.365 29.460 0.033 0.000 1.413 404 W HN 1.061 nan 8.180 nan 0.000 0.489 405 A N 3.318 125.975 122.820 -0.271 0.000 2.356 405 A HA 0.830 5.153 4.320 0.005 0.000 0.323 405 A C -1.003 176.151 177.584 -0.717 0.000 1.119 405 A CA -0.574 51.299 52.037 -0.273 0.000 0.790 405 A CB 1.980 21.019 19.000 0.064 0.000 1.273 405 A HN 0.519 nan 8.150 nan 0.000 0.452 406 T N -0.050 114.247 114.554 -0.429 0.000 2.956 406 T HA 0.623 4.976 4.350 0.005 0.000 0.312 406 T C -0.075 174.478 174.700 -0.244 0.000 1.151 406 T CA 0.187 62.035 62.100 -0.420 0.000 1.024 406 T CB 1.052 69.699 68.868 -0.367 0.000 1.140 406 T HN 1.469 nan 8.240 nan 0.000 0.473 407 S N 2.908 118.496 115.700 -0.187 0.000 2.745 407 S HA 0.806 5.279 4.470 0.005 0.000 0.292 407 S C -0.855 173.622 174.600 -0.206 0.000 1.127 407 S CA -0.587 57.576 58.200 -0.061 0.000 1.007 407 S CB 0.741 63.953 63.200 0.020 0.000 1.165 407 S HN 0.826 nan 8.310 nan 0.000 0.544 408 H N -1.009 118.050 119.070 -0.019 0.000 2.747 408 H HA 0.500 5.059 4.556 0.005 0.000 0.371 408 H C 0.423 175.740 175.328 -0.018 0.000 1.161 408 H CA -0.794 55.253 56.048 -0.002 0.000 1.167 408 H CB 1.351 31.107 29.762 -0.011 0.000 1.732 408 H HN 0.492 nan 8.280 nan 0.000 0.544 409 M N 0.597 120.249 119.600 0.088 0.000 2.287 409 M HA 0.060 4.543 4.480 0.005 0.000 0.266 409 M C 1.973 178.288 176.300 0.025 0.000 1.079 409 M CA 1.461 56.762 55.300 0.003 0.000 1.146 409 M CB 0.154 32.727 32.600 -0.046 0.000 1.374 409 M HN 0.865 nan 8.290 nan 0.000 0.435 410 G N 0.484 109.321 108.800 0.062 0.000 2.623 410 G HA2 -0.035 3.928 3.960 0.005 0.000 0.214 410 G HA3 -0.035 3.928 3.960 0.005 0.000 0.214 410 G C -0.085 174.824 174.900 0.015 0.000 1.138 410 G CA 0.544 45.663 45.100 0.032 0.000 0.794 410 G HN 0.550 nan 8.290 nan 0.000 0.535 411 D N -1.817 118.597 120.400 0.023 0.000 2.759 411 D HA 0.208 4.851 4.640 0.005 0.000 0.321 411 D C -0.254 176.050 176.300 0.007 0.000 1.267 411 D CA -0.408 53.585 54.000 -0.012 0.000 0.933 411 D CB 0.134 40.894 40.800 -0.066 0.000 1.431 411 D HN -0.043 nan 8.370 nan 0.000 0.504 412 D N -1.047 119.353 120.400 -0.002 0.000 2.328 412 D HA 0.085 4.728 4.640 0.005 0.000 0.226 412 D C 0.099 176.411 176.300 0.020 0.000 1.066 412 D CA -0.167 53.846 54.000 0.022 0.000 0.861 412 D CB -0.500 40.324 40.800 0.041 0.000 0.912 412 D HN 0.384 nan 8.370 nan 0.000 0.521 413 S N -0.495 115.178 115.700 -0.045 0.000 2.580 413 S HA 0.455 4.928 4.470 0.005 0.000 0.274 413 S C -0.030 174.563 174.600 -0.013 0.000 1.329 413 S CA -0.797 57.343 58.200 -0.100 0.000 1.036 413 S CB 1.724 64.765 63.200 -0.264 0.000 0.919 413 S HN -0.015 nan 8.310 nan 0.000 0.515 414 V N 2.108 121.875 119.914 -0.245 0.000 2.444 414 V HA 0.747 4.870 4.120 0.005 0.000 0.294 414 V C 0.270 176.072 176.094 -0.488 0.000 1.022 414 V CA -0.517 61.558 62.300 -0.375 0.000 0.850 414 V CB 1.011 32.413 31.823 -0.702 0.000 0.992 414 V HN 1.214 nan 8.190 nan 0.000 0.426 415 A N 6.117 128.834 122.820 -0.171 0.000 2.337 415 A HA 0.945 5.268 4.320 0.005 0.000 0.329 415 A C -0.924 176.614 177.584 -0.076 0.000 1.146 415 A CA -0.592 51.381 52.037 -0.107 0.000 0.800 415 A CB 1.045 20.090 19.000 0.074 0.000 1.220 415 A HN 0.788 nan 8.150 nan 0.000 0.472 416 L N 2.579 123.767 121.223 -0.059 0.000 2.341 416 L HA 0.614 4.957 4.340 0.005 0.000 0.278 416 L C -0.569 176.263 176.870 -0.062 0.000 1.005 416 L CA -0.375 54.449 54.840 -0.027 0.000 0.818 416 L CB 1.695 43.750 42.059 -0.007 0.000 1.259 416 L HN 0.718 nan 8.230 nan 0.000 0.418 417 I N 1.224 121.801 120.570 0.011 0.000 2.465 417 I HA 0.553 4.726 4.170 0.005 0.000 0.291 417 I C 0.479 176.518 176.117 -0.130 0.000 1.014 417 I CA -0.390 60.896 61.300 -0.025 0.000 1.093 417 I CB 1.903 39.973 38.000 0.116 0.000 1.267 417 I HN 0.666 nan 8.210 nan 0.000 0.431 418 G N 3.175 111.809 108.800 -0.275 0.000 2.398 418 G HA2 0.310 4.273 3.960 0.005 0.000 0.246 418 G HA3 0.310 4.273 3.960 0.005 0.000 0.246 418 G C 0.458 174.972 174.900 -0.643 0.000 1.289 418 G CA 0.203 45.056 45.100 -0.410 0.000 0.869 418 G HN 0.743 nan 8.290 nan 0.000 0.543 419 T N -1.456 112.735 114.554 -0.604 0.000 3.288 419 T HA 0.229 4.582 4.350 0.005 0.000 0.293 419 T C -0.168 174.152 174.700 -0.633 0.000 1.008 419 T CA -0.356 61.274 62.100 -0.782 0.000 0.929 419 T CB 0.588 69.332 68.868 -0.206 0.000 1.152 419 T HN 0.370 nan 8.240 nan 0.000 0.517 420 D N 1.501 121.557 120.400 -0.573 0.000 2.412 420 D HA 0.405 5.048 4.640 0.005 0.000 0.276 420 D C -2.059 174.086 176.300 -0.258 0.000 1.196 420 D CA -2.376 51.464 54.000 -0.265 0.000 0.905 420 D CB 1.848 42.628 40.800 -0.034 0.000 1.081 420 D HN -0.030 nan 8.370 nan 0.000 0.502 421 P HA -0.110 nan 4.420 nan 0.000 0.216 421 P C 1.110 178.375 177.300 -0.058 0.000 1.150 421 P CA 0.939 63.930 63.100 -0.182 0.000 0.837 421 P CB 0.531 32.209 31.700 -0.035 0.000 0.786 422 E N -0.843 119.353 120.200 -0.007 0.000 2.033 422 E HA -0.018 4.335 4.350 0.005 0.000 0.189 422 E C 2.297 178.878 176.600 -0.032 0.000 0.979 422 E CA 1.629 58.032 56.400 0.005 0.000 0.802 422 E CB -1.261 28.463 29.700 0.041 0.000 0.763 422 E HN 0.243 nan 8.360 nan 0.000 0.449 423 G N 0.101 108.884 108.800 -0.029 0.000 2.453 423 G HA2 -0.111 3.852 3.960 0.005 0.000 0.215 423 G HA3 -0.111 3.852 3.960 0.005 0.000 0.215 423 G C 0.278 174.967 174.900 -0.352 0.000 1.147 423 G CA 0.204 45.223 45.100 -0.136 0.000 0.802 423 G HN 0.229 nan 8.290 nan 0.000 0.535 424 H N 0.028 119.045 119.070 -0.087 0.000 2.439 424 H HA 0.253 4.812 4.556 0.005 0.000 0.230 424 H C -1.567 173.674 175.328 -0.146 0.000 1.420 424 H CA -1.420 54.569 56.048 -0.097 0.000 1.305 424 H CB 1.653 31.356 29.762 -0.099 0.000 1.667 424 H HN 0.117 nan 8.280 nan 0.000 0.515 425 P HA -0.212 nan 4.420 nan 0.000 0.216 425 P C 0.622 177.871 177.300 -0.084 0.000 1.153 425 P CA 1.323 64.374 63.100 -0.082 0.000 0.858 425 P CB 0.651 32.320 31.700 -0.052 0.000 0.789 426 D N -0.858 119.512 120.400 -0.049 0.000 2.264 426 D HA -0.075 4.568 4.640 0.005 0.000 0.208 426 D C 1.441 177.696 176.300 -0.075 0.000 0.966 426 D CA 0.768 54.742 54.000 -0.044 0.000 0.864 426 D CB -0.443 40.348 40.800 -0.013 0.000 0.933 426 D HN 0.197 nan 8.370 nan 0.000 0.499 427 N N 0.197 118.838 118.700 -0.099 0.000 2.325 427 N HA 0.091 4.834 4.740 0.005 0.000 0.182 427 N C 0.275 175.602 175.510 -0.306 0.000 1.088 427 N CA -0.008 52.935 53.050 -0.177 0.000 0.879 427 N CB 0.228 38.627 38.487 -0.147 0.000 0.983 427 N HN -0.017 nan 8.380 nan 0.000 0.471 428 A N 0.426 123.014 122.820 -0.386 0.000 2.548 428 A HA 0.113 4.436 4.320 0.005 0.000 0.247 428 A C -0.112 177.084 177.584 -0.648 0.000 1.067 428 A CA -0.072 51.493 52.037 -0.787 0.000 0.757 428 A CB -0.835 17.648 19.000 -0.862 0.000 0.996 428 A HN 0.517 nan 8.150 nan 0.000 0.504 429 W N 0.539 121.723 121.300 -0.193 0.000 4.551 429 W HA -0.190 4.473 4.660 0.005 0.000 0.343 429 W C 0.233 176.665 176.519 -0.146 0.000 1.269 429 W CA 0.586 57.819 57.345 -0.186 0.000 0.799 429 W CB -1.265 28.078 29.460 -0.196 0.000 2.352 429 W HN 0.565 nan 8.180 nan 0.000 1.462 430 K N 0.728 121.093 120.400 -0.059 0.000 2.259 430 K HA 0.435 4.758 4.320 0.005 0.000 0.252 430 K C 0.135 176.661 176.600 -0.122 0.000 0.936 430 K CA -1.093 55.147 56.287 -0.079 0.000 0.810 430 K CB 1.686 34.112 32.500 -0.123 0.000 1.143 430 K HN -0.192 nan 8.250 nan 0.000 0.427 431 I N 4.822 125.336 120.570 -0.093 0.000 2.421 431 I HA 0.010 4.183 4.170 0.005 0.000 0.291 431 I C 1.525 177.523 176.117 -0.199 0.000 1.089 431 I CA 0.203 61.439 61.300 -0.106 0.000 1.354 431 I CB -0.210 37.761 38.000 -0.048 0.000 1.413 431 I HN 0.481 nan 8.210 nan 0.000 0.513 432 L N 3.945 124.957 121.223 -0.352 0.000 2.307 432 L HA 0.148 4.491 4.340 0.005 0.000 0.211 432 L C 0.406 177.008 176.870 -0.447 0.000 1.099 432 L CA 0.754 55.204 54.840 -0.650 0.000 0.816 432 L CB -0.089 41.142 42.059 -1.380 0.000 0.952 432 L HN 0.565 nan 8.230 nan 0.000 0.455 433 D N -1.616 118.667 120.400 -0.194 0.000 2.648 433 D HA 0.323 4.966 4.640 0.005 0.000 0.244 433 D C -1.548 174.765 176.300 0.022 0.000 1.244 433 D CA -0.175 53.858 54.000 0.056 0.000 0.772 433 D CB 2.234 43.233 40.800 0.331 0.000 1.379 433 D HN -0.250 nan 8.370 nan 0.000 0.428 434 S N 1.462 117.202 115.700 0.068 0.000 2.668 434 S HA 0.762 5.235 4.470 0.005 0.000 0.277 434 S C -1.655 172.977 174.600 0.054 0.000 1.170 434 S CA -0.680 57.471 58.200 -0.082 0.000 0.994 434 S CB -0.036 63.131 63.200 -0.054 0.000 1.051 434 S HN 0.332 nan 8.310 nan 0.000 0.484 435 F N 2.608 122.579 119.950 0.035 0.000 2.631 435 F HA 0.835 5.365 4.527 0.005 0.000 0.308 435 F C -2.987 172.866 175.800 0.089 0.000 1.097 435 F CA -2.396 55.645 58.000 0.067 0.000 0.952 435 F CB 0.837 39.885 39.000 0.081 0.000 1.307 435 F HN 0.264 nan 8.300 nan 0.000 0.450 436 P HA 0.457 nan 4.420 nan 0.000 0.278 436 P C -0.960 176.614 177.300 0.455 0.000 1.238 436 P CA 0.110 63.395 63.100 0.308 0.000 0.794 436 P CB 1.924 33.782 31.700 0.264 0.000 0.955 437 A N 2.584 125.527 122.820 0.205 0.000 3.837 437 A HA 0.415 4.738 4.320 0.005 0.000 0.159 437 A C 1.691 179.079 177.584 -0.327 0.000 1.157 437 A CA -0.513 51.448 52.037 -0.127 0.000 0.890 437 A CB -0.605 18.401 19.000 0.010 0.000 1.553 437 A HN 0.459 nan 8.150 nan 0.000 0.642 438 L N -0.508 120.468 121.223 -0.411 0.000 2.046 438 L HA 0.189 4.532 4.340 0.005 0.000 0.208 438 L C 1.298 178.162 176.870 -0.010 0.000 1.077 438 L CA 1.436 56.181 54.840 -0.157 0.000 0.747 438 L CB -0.361 41.609 42.059 -0.147 0.000 0.896 438 L HN 0.946 nan 8.230 nan 0.000 0.432 439 G N -2.358 106.431 108.800 -0.017 0.000 2.315 439 G HA2 0.349 4.312 3.960 0.005 0.000 0.294 439 G HA3 0.349 4.312 3.960 0.005 0.000 0.294 439 G C -0.767 174.136 174.900 0.005 0.000 1.300 439 G CA -0.431 44.674 45.100 0.009 0.000 0.843 439 G HN 0.155 nan 8.290 nan 0.000 0.527 440 G N -1.758 107.046 108.800 0.006 0.000 2.651 440 G HA2 0.564 4.527 3.960 0.005 0.000 0.260 440 G HA3 0.564 4.527 3.960 0.005 0.000 0.260 440 G C 1.289 176.187 174.900 -0.003 0.000 1.216 440 G CA 1.175 46.278 45.100 0.006 0.000 0.913 440 G HN 2.378 nan 8.290 nan 0.000 0.535 441 G N -1.604 107.191 108.800 -0.008 0.000 2.132 441 G HA2 -0.155 3.808 3.960 0.005 0.000 0.228 441 G HA3 -0.155 3.808 3.960 0.005 0.000 0.228 441 G C 0.567 175.446 174.900 -0.036 0.000 1.000 441 G CA 0.703 45.788 45.100 -0.026 0.000 0.693 441 G HN 1.332 nan 8.290 nan 0.000 0.515 442 S N -0.928 114.757 115.700 -0.025 0.000 2.580 442 S HA 0.682 5.155 4.470 0.005 0.000 0.274 442 S C 1.494 176.020 174.600 -0.125 0.000 1.329 442 S CA -0.035 58.150 58.200 -0.026 0.000 1.036 442 S CB 0.918 64.128 63.200 0.017 0.000 0.919 442 S HN 0.422 nan 8.310 nan 0.000 0.515 443 L N 2.405 123.529 121.223 -0.165 0.000 2.694 443 L HA 0.453 4.796 4.340 0.005 0.000 0.228 443 L C -0.867 175.642 176.870 -0.601 0.000 1.048 443 L CA 0.135 54.658 54.840 -0.529 0.000 0.887 443 L CB 0.314 41.988 42.059 -0.642 0.000 1.265 443 L HN 0.522 nan 8.230 nan 0.000 0.492 444 F N -0.010 120.048 119.950 0.180 0.000 2.569 444 F HA 0.506 5.037 4.527 0.006 0.000 0.312 444 F C -0.430 175.472 175.800 0.168 0.000 1.109 444 F CA -0.665 57.442 58.000 0.179 0.000 0.919 444 F CB 2.276 41.376 39.000 0.166 0.000 1.211 444 F HN -0.287 nan 8.300 nan 0.000 0.446 445 I N 2.979 123.734 120.570 0.309 0.000 2.530 445 I HA 0.679 4.852 4.170 0.005 0.000 0.297 445 I C -1.235 175.059 176.117 0.295 0.000 1.011 445 I CA -0.599 60.854 61.300 0.255 0.000 1.107 445 I CB 1.615 39.676 38.000 0.103 0.000 1.285 445 I HN 0.609 nan 8.210 nan 0.000 0.436 446 K N 3.585 124.219 120.400 0.389 0.000 2.546 446 K HA 0.684 5.007 4.320 0.005 0.000 0.264 446 K C -1.195 175.776 176.600 0.617 0.000 0.937 446 K CA -0.441 56.116 56.287 0.451 0.000 0.833 446 K CB 2.149 34.888 32.500 0.398 0.000 1.378 446 K HN 0.663 nan 8.250 nan 0.000 0.432 447 T N 0.376 115.262 114.554 0.554 0.000 2.711 447 T HA 0.444 4.797 4.350 0.005 0.000 0.302 447 T C -2.236 172.461 174.700 -0.005 0.000 1.373 447 T CA -0.487 61.876 62.100 0.439 0.000 1.000 447 T CB 0.730 69.775 68.868 0.294 0.000 1.483 447 T HN 0.578 nan 8.240 nan 0.000 0.499 448 H N 0.176 119.013 119.070 -0.388 0.000 3.046 448 H HA 0.364 4.925 4.556 0.008 0.000 0.363 448 H C -2.438 172.777 175.328 -0.188 0.000 1.203 448 H CA -1.468 54.280 56.048 -0.499 0.000 1.169 448 H CB 2.422 31.455 29.762 -1.214 0.000 1.851 448 H HN 0.321 nan 8.280 nan 0.000 0.546 449 P HA -0.122 nan 4.420 nan 0.000 0.217 449 P C 0.715 178.073 177.300 0.096 0.000 1.148 449 P CA 1.225 64.267 63.100 -0.096 0.000 0.828 449 P CB 0.397 31.989 31.700 -0.179 0.000 0.783 450 N N -1.658 117.234 118.700 0.319 0.000 2.398 450 N HA 0.012 4.755 4.740 0.005 0.000 0.188 450 N C 0.507 176.109 175.510 0.154 0.000 1.122 450 N CA 0.485 53.663 53.050 0.214 0.000 0.866 450 N CB -0.112 38.497 38.487 0.203 0.000 0.970 450 N HN 0.079 nan 8.380 nan 0.000 0.462 451 S N 0.348 116.139 115.700 0.151 0.000 2.565 451 S HA 0.195 4.668 4.470 0.005 0.000 0.290 451 S C 0.805 175.429 174.600 0.039 0.000 1.150 451 S CA -0.653 57.650 58.200 0.171 0.000 1.058 451 S CB 1.290 64.693 63.200 0.338 0.000 1.032 451 S HN 0.301 nan 8.310 nan 0.000 0.510 452 Q N 2.058 121.773 119.800 -0.142 0.000 2.247 452 Q HA 0.242 4.585 4.340 0.005 0.000 0.204 452 Q C -1.110 174.587 176.000 -0.505 0.000 0.872 452 Q CA -0.136 55.456 55.803 -0.353 0.000 0.951 452 Q CB 0.009 28.455 28.738 -0.487 0.000 1.099 452 Q HN 0.637 nan 8.270 nan 0.000 0.501 453 Y N 0.496 120.843 120.300 0.079 0.000 2.468 453 Y HA 0.533 5.084 4.550 0.002 0.000 0.342 453 Y C -0.827 175.082 175.900 0.015 0.000 1.021 453 Y CA -1.780 56.305 58.100 -0.025 0.000 1.079 453 Y CB 1.787 40.153 38.460 -0.156 0.000 1.226 453 Y HN 0.053 nan 8.280 nan 0.000 0.460 454 L N 3.562 124.858 121.223 0.122 0.000 2.316 454 L HA 0.517 4.860 4.340 0.005 0.000 0.280 454 L C -1.830 175.185 176.870 0.241 0.000 1.006 454 L CA -0.821 54.134 54.840 0.191 0.000 0.836 454 L CB 0.046 42.136 42.059 0.053 0.000 1.221 454 L HN 0.445 nan 8.230 nan 0.000 0.418 455 Y N 4.009 124.535 120.300 0.376 0.000 2.323 455 Y HA 0.651 5.203 4.550 0.003 0.000 0.331 455 Y C -0.049 176.041 175.900 0.318 0.000 1.092 455 Y CA -0.685 57.626 58.100 0.352 0.000 1.150 455 Y CB 1.662 40.398 38.460 0.460 0.000 1.200 455 Y HN 0.262 nan 8.280 nan 0.000 0.472 456 V N 3.630 123.762 119.914 0.364 0.000 2.524 456 V HA 0.246 4.369 4.120 0.005 0.000 0.297 456 V C -0.717 175.470 176.094 0.155 0.000 1.035 456 V CA -1.115 61.342 62.300 0.262 0.000 0.867 456 V CB 1.394 33.356 31.823 0.233 0.000 1.004 456 V HN 0.820 nan 8.190 nan 0.000 0.426 457 D N 3.973 124.488 120.400 0.192 0.000 2.451 457 D HA 0.701 5.344 4.640 0.005 0.000 0.259 457 D C 0.310 176.644 176.300 0.056 0.000 1.201 457 D CA -0.377 53.690 54.000 0.111 0.000 1.028 457 D CB 1.632 42.559 40.800 0.211 0.000 1.095 457 D HN 0.698 nan 8.370 nan 0.000 0.539 458 A N -0.715 122.121 122.820 0.028 0.000 2.897 458 A HA 0.310 4.633 4.320 0.005 0.000 0.230 458 A C 1.097 178.690 177.584 0.014 0.000 0.896 458 A CA -0.381 51.660 52.037 0.006 0.000 1.114 458 A CB -0.663 18.322 19.000 -0.025 0.000 1.230 458 A HN 0.459 nan 8.150 nan 0.000 0.481 459 T N 0.865 115.454 114.554 0.057 0.000 2.624 459 T HA -0.235 4.118 4.350 0.005 0.000 0.266 459 T C 1.483 176.206 174.700 0.039 0.000 1.050 459 T CA 2.094 64.249 62.100 0.090 0.000 1.163 459 T CB -0.377 68.602 68.868 0.184 0.000 0.861 459 T HN 0.487 nan 8.240 nan 0.000 0.443 460 L N 0.798 122.027 121.223 0.010 0.000 2.612 460 L HA 0.177 4.520 4.340 0.005 0.000 0.230 460 L C 1.111 177.963 176.870 -0.030 0.000 1.140 460 L CA -0.315 54.514 54.840 -0.017 0.000 0.896 460 L CB -0.527 41.516 42.059 -0.026 0.000 1.065 460 L HN 0.240 nan 8.230 nan 0.000 0.447 461 N N 2.250 120.935 118.700 -0.025 0.000 2.458 461 N HA 0.012 4.755 4.740 0.005 0.000 0.258 461 N C -1.434 174.054 175.510 -0.038 0.000 1.219 461 N CA -0.893 52.141 53.050 -0.028 0.000 0.902 461 N CB 1.526 39.998 38.487 -0.024 0.000 1.076 461 N HN -0.039 nan 8.380 nan 0.000 0.455 462 P HA -0.089 nan 4.420 nan 0.000 0.223 462 P C -0.070 177.205 177.300 -0.043 0.000 1.151 462 P CA 0.931 64.005 63.100 -0.043 0.000 0.787 462 P CB 0.334 32.012 31.700 -0.036 0.000 0.788 463 E N -0.132 120.046 120.200 -0.037 0.000 2.129 463 E HA 0.322 4.675 4.350 0.005 0.000 0.283 463 E C 1.249 177.823 176.600 -0.044 0.000 1.080 463 E CA -0.362 56.016 56.400 -0.037 0.000 0.867 463 E CB 0.689 30.372 29.700 -0.029 0.000 1.056 463 E HN -0.042 nan 8.360 nan 0.000 0.404 464 A N 4.604 127.394 122.820 -0.049 0.000 1.917 464 A HA -0.280 4.043 4.320 0.005 0.000 0.219 464 A C 1.936 179.485 177.584 -0.058 0.000 1.182 464 A CA 1.990 53.994 52.037 -0.055 0.000 0.633 464 A CB -0.384 18.583 19.000 -0.054 0.000 0.819 464 A HN 0.868 nan 8.150 nan 0.000 0.448 465 E N -0.556 119.611 120.200 -0.054 0.000 2.153 465 E HA -0.148 4.205 4.350 0.005 0.000 0.194 465 E C 1.778 178.338 176.600 -0.067 0.000 0.988 465 E CA 1.181 57.545 56.400 -0.061 0.000 0.811 465 E CB -0.152 29.518 29.700 -0.051 0.000 0.746 465 E HN 0.735 nan 8.360 nan 0.000 0.466 466 I N 0.270 120.808 120.570 -0.053 0.000 2.429 466 I HA -0.167 4.006 4.170 0.005 0.000 0.247 466 I C 2.524 178.605 176.117 -0.060 0.000 1.099 466 I CA 0.856 62.126 61.300 -0.051 0.000 1.422 466 I CB -0.195 37.786 38.000 -0.031 0.000 1.112 466 I HN 0.123 nan 8.210 nan 0.000 0.430 467 S N 0.846 116.515 115.700 -0.051 0.000 2.442 467 S HA -0.073 4.400 4.470 0.005 0.000 0.236 467 S C 1.831 176.400 174.600 -0.051 0.000 1.007 467 S CA 1.029 59.204 58.200 -0.041 0.000 0.965 467 S CB -0.790 62.386 63.200 -0.041 0.000 0.773 467 S HN 0.473 nan 8.310 nan 0.000 0.504 468 G N 0.089 108.844 108.800 -0.076 0.000 3.233 468 G HA2 0.491 4.454 3.960 0.005 0.000 0.227 468 G HA3 0.491 4.454 3.960 0.005 0.000 0.227 468 G C 0.012 174.816 174.900 -0.161 0.000 1.175 468 G CA -0.258 44.785 45.100 -0.096 0.000 0.781 468 G HN 0.475 nan 8.290 nan 0.000 0.542 469 S N -1.555 114.043 115.700 -0.169 0.000 2.704 469 S HA 0.745 5.218 4.470 0.005 0.000 0.296 469 S C -1.053 173.397 174.600 -0.249 0.000 1.138 469 S CA -0.529 57.527 58.200 -0.241 0.000 0.875 469 S CB 2.605 65.685 63.200 -0.200 0.000 1.151 469 S HN -0.032 nan 8.310 nan 0.000 0.500 470 V N 0.959 120.687 119.914 -0.309 0.000 2.841 470 V HA 0.779 4.902 4.120 0.005 0.000 0.310 470 V C -0.331 175.640 176.094 -0.206 0.000 1.090 470 V CA -0.820 61.315 62.300 -0.275 0.000 0.930 470 V CB 1.732 33.260 31.823 -0.491 0.000 1.014 470 V HN 1.038 nan 8.190 nan 0.000 0.425 471 A N 3.762 126.462 122.820 -0.200 0.000 2.309 471 A HA 0.838 5.161 4.320 0.005 0.000 0.298 471 A C -0.711 176.723 177.584 -0.249 0.000 1.165 471 A CA -0.430 51.402 52.037 -0.342 0.000 0.821 471 A CB 1.073 19.586 19.000 -0.811 0.000 1.102 471 A HN 0.835 nan 8.150 nan 0.000 0.500 472 V N 2.719 122.450 119.914 -0.305 0.000 2.482 472 V HA 0.406 4.529 4.120 0.005 0.000 0.295 472 V C -1.085 174.849 176.094 -0.267 0.000 1.026 472 V CA -0.283 61.829 62.300 -0.313 0.000 0.856 472 V CB 0.768 32.313 31.823 -0.463 0.000 1.001 472 V HN 0.718 nan 8.190 nan 0.000 0.424 473 F N 1.972 121.936 119.950 0.022 0.000 2.399 473 F HA 0.470 5.000 4.527 0.005 0.000 0.334 473 F C 0.579 176.446 175.800 0.112 0.000 1.097 473 F CA -0.551 57.496 58.000 0.079 0.000 1.076 473 F CB 1.126 40.165 39.000 0.065 0.000 1.162 473 F HN 0.429 nan 8.300 nan 0.000 0.495 474 D N 3.246 123.815 120.400 0.282 0.000 2.380 474 D HA 0.207 4.850 4.640 0.005 0.000 0.230 474 D C 1.122 177.416 176.300 -0.009 0.000 1.154 474 D CA 0.138 54.239 54.000 0.168 0.000 0.859 474 D CB 0.514 41.411 40.800 0.161 0.000 1.045 474 D HN 0.499 nan 8.370 nan 0.000 0.495 475 I N 3.220 123.711 120.570 -0.131 0.000 2.208 475 I HA -0.291 3.882 4.170 0.005 0.000 0.245 475 I C 2.249 178.266 176.117 -0.166 0.000 1.097 475 I CA 0.994 62.165 61.300 -0.216 0.000 1.363 475 I CB -0.006 37.793 38.000 -0.336 0.000 1.051 475 I HN 0.352 nan 8.210 nan 0.000 0.413 476 K N 0.694 121.005 120.400 -0.148 0.000 2.211 476 K HA -0.136 4.187 4.320 0.005 0.000 0.204 476 K C 1.968 178.507 176.600 -0.102 0.000 1.047 476 K CA 1.435 57.654 56.287 -0.115 0.000 0.935 476 K CB -0.187 32.250 32.500 -0.105 0.000 0.728 476 K HN 0.352 nan 8.250 nan 0.000 0.452 477 A N 0.632 123.401 122.820 -0.086 0.000 2.218 477 A HA 0.098 4.421 4.320 0.005 0.000 0.209 477 A C 0.765 178.293 177.584 -0.093 0.000 1.168 477 A CA 0.002 51.999 52.037 -0.066 0.000 0.804 477 A CB -0.176 18.809 19.000 -0.025 0.000 0.834 477 A HN 0.141 nan 8.150 nan 0.000 0.482 478 M N 0.921 120.428 119.600 -0.155 0.000 2.217 478 M HA 0.099 4.582 4.480 0.005 0.000 0.352 478 M C 1.365 177.534 176.300 -0.219 0.000 1.376 478 M CA 0.582 55.759 55.300 -0.205 0.000 1.107 478 M CB 0.850 33.248 32.600 -0.337 0.000 1.723 478 M HN 0.427 nan 8.290 nan 0.000 0.461 479 T N -2.223 112.274 114.554 -0.094 0.000 2.978 479 T HA 0.266 4.619 4.350 0.005 0.000 0.248 479 T C 1.319 175.985 174.700 -0.056 0.000 1.018 479 T CA 0.425 62.482 62.100 -0.071 0.000 1.026 479 T CB 0.233 69.073 68.868 -0.046 0.000 1.032 479 T HN 0.966 nan 8.240 nan 0.000 0.485 480 G N 3.238 112.058 108.800 0.033 0.000 2.176 480 G HA2 -0.267 3.696 3.960 0.005 0.000 0.252 480 G HA3 -0.267 3.696 3.960 0.005 0.000 0.252 480 G C 0.346 175.283 174.900 0.062 0.000 1.024 480 G CA 0.503 45.603 45.100 -0.001 0.000 0.755 480 G HN 0.770 nan 8.290 nan 0.000 0.507 481 D N -0.655 119.776 120.400 0.051 0.000 2.349 481 D HA 0.347 4.990 4.640 0.005 0.000 0.224 481 D C 1.852 178.205 176.300 0.089 0.000 1.029 481 D CA 0.787 54.821 54.000 0.057 0.000 0.879 481 D CB -0.489 40.327 40.800 0.028 0.000 0.906 481 D HN 1.578 nan 8.370 nan 0.000 0.528 482 G N -0.074 108.803 108.800 0.128 0.000 2.213 482 G HA2 -0.267 3.696 3.960 0.005 0.000 0.226 482 G HA3 -0.267 3.696 3.960 0.005 0.000 0.226 482 G C 0.437 175.405 174.900 0.113 0.000 0.992 482 G CA 0.274 45.451 45.100 0.129 0.000 0.632 482 G HN 0.819 nan 8.290 nan 0.000 0.511 483 S N 0.484 116.236 115.700 0.087 0.000 2.632 483 S HA 0.558 5.031 4.470 0.005 0.000 0.267 483 S C -0.439 174.211 174.600 0.082 0.000 1.276 483 S CA -0.247 57.997 58.200 0.073 0.000 0.998 483 S CB 1.625 64.851 63.200 0.043 0.000 0.953 483 S HN 0.146 nan 8.310 nan 0.000 0.547 484 D N 2.752 123.208 120.400 0.093 0.000 2.325 484 D HA 0.387 5.030 4.640 0.005 0.000 0.251 484 D C -2.253 174.080 176.300 0.054 0.000 1.196 484 D CA -1.156 52.917 54.000 0.123 0.000 0.866 484 D CB 0.570 41.486 40.800 0.194 0.000 1.101 484 D HN 0.391 nan 8.370 nan 0.000 0.476 485 P HA 0.041 nan 4.420 nan 0.000 0.268 485 P C 0.062 177.477 177.300 0.193 0.000 1.205 485 P CA 0.009 63.088 63.100 -0.034 0.000 0.771 485 P CB 0.862 32.380 31.700 -0.304 0.000 0.858 486 E N 1.689 121.940 120.200 0.086 0.000 2.392 486 E HA 0.392 4.745 4.350 0.005 0.000 0.259 486 E C -0.396 176.185 176.600 -0.032 0.000 1.108 486 E CA -0.131 56.246 56.400 -0.039 0.000 0.916 486 E CB 0.311 29.946 29.700 -0.108 0.000 0.989 486 E HN 0.403 nan 8.360 nan 0.000 0.432 487 F N -1.293 118.495 119.950 -0.270 0.000 2.613 487 F HA 0.518 5.047 4.527 0.004 0.000 0.310 487 F C -0.772 174.825 175.800 -0.338 0.000 1.085 487 F CA -1.393 56.283 58.000 -0.539 0.000 0.945 487 F CB 1.030 39.305 39.000 -1.209 0.000 1.298 487 F HN 0.112 nan 8.300 nan 0.000 0.455 488 K N 1.070 121.411 120.400 -0.098 0.000 2.130 488 K HA 0.562 4.885 4.320 0.005 0.000 0.268 488 K C -1.009 175.585 176.600 -0.010 0.000 0.983 488 K CA -0.440 55.783 56.287 -0.106 0.000 0.893 488 K CB 1.435 33.853 32.500 -0.137 0.000 1.066 488 K HN 0.883 nan 8.250 nan 0.000 0.450 489 T N 4.948 119.481 114.554 -0.035 0.000 2.743 489 T HA 0.306 4.659 4.350 0.005 0.000 0.292 489 T C -0.258 174.327 174.700 -0.192 0.000 0.972 489 T CA -0.577 61.493 62.100 -0.050 0.000 0.967 489 T CB 0.232 69.096 68.868 -0.007 0.000 0.926 489 T HN 0.395 nan 8.240 nan 0.000 0.459 490 L N 6.599 127.647 121.223 -0.290 0.000 2.265 490 L HA 0.344 4.687 4.340 0.005 0.000 0.288 490 L C -1.704 174.743 176.870 -0.706 0.000 1.058 490 L CA -2.165 52.346 54.840 -0.548 0.000 0.809 490 L CB 1.050 42.807 42.059 -0.504 0.000 1.179 490 L HN 0.352 nan 8.230 nan 0.000 0.429 491 P HA 0.068 nan 4.420 nan 0.000 0.225 491 P C 1.003 177.755 177.300 -0.913 0.000 1.813 491 P CA -0.301 62.350 63.100 -0.748 0.000 1.013 491 P CB 0.262 31.608 31.700 -0.589 0.000 1.961 492 I N 1.641 121.796 120.570 -0.691 0.000 2.118 492 I HA -0.265 3.908 4.170 0.005 0.000 0.241 492 I C 2.372 178.388 176.117 -0.168 0.000 1.070 492 I CA 1.790 62.844 61.300 -0.409 0.000 1.327 492 I CB -1.952 35.835 38.000 -0.355 0.000 1.034 492 I HN 0.162 nan 8.210 nan 0.000 0.405 493 A N 0.167 122.891 122.820 -0.160 0.000 1.902 493 A HA -0.244 4.079 4.320 0.005 0.000 0.217 493 A C 2.390 179.947 177.584 -0.045 0.000 1.181 493 A CA 1.810 53.803 52.037 -0.073 0.000 0.623 493 A CB -0.707 18.249 19.000 -0.073 0.000 0.818 493 A HN 0.548 nan 8.150 nan 0.000 0.443 494 E N -1.231 118.915 120.200 -0.089 0.000 2.077 494 E HA -0.230 4.123 4.350 0.005 0.000 0.193 494 E C 1.738 178.407 176.600 0.116 0.000 0.989 494 E CA 1.356 57.742 56.400 -0.024 0.000 0.800 494 E CB -0.223 29.431 29.700 -0.078 0.000 0.746 494 E HN 0.753 nan 8.360 nan 0.000 0.452 495 W N 0.401 121.655 121.300 -0.077 0.000 2.342 495 W HA -0.032 4.636 4.660 0.013 0.000 0.297 495 W C 2.353 178.810 176.519 -0.102 0.000 1.213 495 W CA 1.083 58.374 57.345 -0.090 0.000 1.251 495 W CB -0.992 28.410 29.460 -0.097 0.000 1.136 495 W HN 0.208 nan 8.180 nan 0.000 0.526 496 A N -0.355 122.546 122.820 0.135 0.000 2.168 496 A HA 0.299 4.622 4.320 0.005 0.000 0.215 496 A C 1.802 179.388 177.584 0.003 0.000 1.152 496 A CA 1.353 53.409 52.037 0.030 0.000 0.716 496 A CB -0.953 18.056 19.000 0.016 0.000 0.794 496 A HN 0.622 nan 8.150 nan 0.000 0.465 497 G N -0.808 108.004 108.800 0.020 0.000 2.272 497 G HA2 -0.212 3.751 3.960 0.005 0.000 0.280 497 G HA3 -0.212 3.751 3.960 0.005 0.000 0.280 497 G C -0.159 174.736 174.900 -0.008 0.000 1.067 497 G CA 0.487 45.587 45.100 0.001 0.000 0.902 497 G HN 0.589 nan 8.290 nan 0.000 0.500 498 I N -0.335 120.231 120.570 -0.006 0.000 2.478 498 I HA 0.442 4.615 4.170 0.005 0.000 0.287 498 I C 0.807 176.914 176.117 -0.017 0.000 1.042 498 I CA -0.688 60.606 61.300 -0.010 0.000 1.067 498 I CB 2.212 40.209 38.000 -0.006 0.000 1.233 498 I HN 0.032 nan 8.210 nan 0.000 0.431 499 T N 1.572 116.115 114.554 -0.019 0.000 2.954 499 T HA 0.048 4.401 4.350 0.005 0.000 0.252 499 T C 0.576 175.259 174.700 -0.027 0.000 0.983 499 T CA -0.181 61.904 62.100 -0.025 0.000 0.941 499 T CB 0.233 69.087 68.868 -0.023 0.000 1.141 499 T HN 0.594 nan 8.240 nan 0.000 0.500 500 E N 1.968 122.155 120.200 -0.022 0.000 2.493 500 E HA 0.231 4.583 4.350 0.005 0.000 0.255 500 E C 0.963 177.545 176.600 -0.029 0.000 0.999 500 E CA 0.662 57.049 56.400 -0.022 0.000 0.934 500 E CB -0.104 29.587 29.700 -0.016 0.000 0.940 500 E HN 0.498 nan 8.360 nan 0.000 0.473 501 G N 4.535 113.313 108.800 -0.036 0.000 2.225 501 G HA2 -0.364 3.599 3.960 0.005 0.000 0.267 501 G HA3 -0.364 3.599 3.960 0.005 0.000 0.267 501 G C 0.044 174.904 174.900 -0.066 0.000 1.024 501 G CA 0.616 45.687 45.100 -0.048 0.000 0.784 501 G HN 0.781 nan 8.290 nan 0.000 0.507 502 Q N -1.807 117.957 119.800 -0.061 0.000 2.448 502 Q HA -0.150 4.193 4.340 0.005 0.000 0.356 502 Q C -1.532 174.416 176.000 -0.086 0.000 1.430 502 Q CA 1.386 57.146 55.803 -0.071 0.000 1.011 502 Q CB -1.388 27.303 28.738 -0.078 0.000 1.203 502 Q HN 0.693 nan 8.270 nan 0.000 0.351 503 P HA -0.014 nan 4.420 nan 0.000 0.268 503 P C -0.521 176.756 177.300 -0.039 0.000 1.204 503 P CA 0.332 63.402 63.100 -0.049 0.000 0.768 503 P CB 0.721 32.418 31.700 -0.005 0.000 0.842 504 R N 1.803 122.286 120.500 -0.028 0.000 2.294 504 R HA 0.423 4.766 4.340 0.005 0.000 0.319 504 R C -0.329 176.066 176.300 0.159 0.000 0.984 504 R CA -1.033 55.084 56.100 0.030 0.000 0.861 504 R CB 1.215 31.500 30.300 -0.024 0.000 1.104 504 R HN 0.296 nan 8.270 nan 0.000 0.451 505 V N 4.238 124.213 119.914 0.101 0.000 2.530 505 V HA 0.267 4.390 4.120 0.005 0.000 0.282 505 V C 0.002 176.221 176.094 0.208 0.000 1.048 505 V CA -0.202 62.170 62.300 0.120 0.000 0.997 505 V CB 1.454 33.265 31.823 -0.020 0.000 0.987 505 V HN 0.486 nan 8.190 nan 0.000 0.477 506 V N 5.322 125.402 119.914 0.277 0.000 2.932 506 V HA 0.514 4.637 4.120 0.005 0.000 0.307 506 V C -0.490 175.758 176.094 0.256 0.000 1.147 506 V CA -0.401 62.092 62.300 0.321 0.000 0.951 506 V CB 1.825 33.851 31.823 0.339 0.000 1.031 506 V HN 1.056 nan 8.190 nan 0.000 0.426 507 Q N 2.911 122.879 119.800 0.279 0.000 2.630 507 Q HA -0.139 4.204 4.340 0.005 0.000 0.210 507 Q C -0.057 175.847 176.000 -0.159 0.000 1.400 507 Q CA 0.843 56.603 55.803 -0.072 0.000 0.668 507 Q CB -0.848 27.490 28.738 -0.667 0.000 0.781 507 Q HN 1.434 nan 8.270 nan 0.000 0.311 508 G N 3.053 111.754 108.800 -0.165 0.000 2.432 508 G HA2 0.393 4.356 3.960 0.005 0.000 0.257 508 G HA3 0.393 4.356 3.960 0.005 0.000 0.257 508 G C -0.601 174.041 174.900 -0.430 0.000 1.238 508 G CA 0.123 44.763 45.100 -0.768 0.000 0.838 508 G HN 0.549 nan 8.290 nan 0.000 0.547 509 E N 0.790 120.716 120.200 -0.457 0.000 2.291 509 E HA 0.509 4.862 4.350 0.005 0.000 0.276 509 E C -1.406 175.135 176.600 -0.098 0.000 0.896 509 E CA -0.707 55.595 56.400 -0.164 0.000 0.774 509 E CB 0.948 30.542 29.700 -0.177 0.000 1.227 509 E HN 0.238 nan 8.360 nan 0.000 0.413 510 F N 2.843 122.786 119.950 -0.012 0.000 2.370 510 F HA 0.370 4.898 4.527 0.002 0.000 0.324 510 F C 1.275 177.093 175.800 0.030 0.000 1.116 510 F CA -0.382 57.645 58.000 0.043 0.000 1.123 510 F CB 0.673 39.708 39.000 0.057 0.000 1.238 510 F HN 0.532 nan 8.300 nan 0.000 0.536 511 N N 1.175 120.080 118.700 0.341 0.000 2.327 511 N HA 0.070 4.813 4.740 0.005 0.000 0.257 511 N C 0.673 176.235 175.510 0.086 0.000 1.281 511 N CA -0.509 52.679 53.050 0.229 0.000 0.942 511 N CB 0.272 38.974 38.487 0.358 0.000 1.199 511 N HN 0.671 nan 8.380 nan 0.000 0.532 512 K N -0.708 119.710 120.400 0.031 0.000 2.063 512 K HA -0.168 4.154 4.320 0.005 0.000 0.208 512 K C 0.187 176.768 176.600 -0.031 0.000 1.048 512 K CA 1.676 57.967 56.287 0.007 0.000 0.928 512 K CB -0.146 32.300 32.500 -0.091 0.000 0.713 512 K HN 0.463 nan 8.250 nan 0.000 0.442 513 D N -0.487 119.893 120.400 -0.033 0.000 2.348 513 D HA 0.008 4.651 4.640 0.005 0.000 0.216 513 D C 0.814 177.017 176.300 -0.161 0.000 0.970 513 D CA 1.117 55.088 54.000 -0.047 0.000 0.889 513 D CB 0.082 40.883 40.800 0.003 0.000 0.912 513 D HN 0.534 nan 8.370 nan 0.000 0.524 514 G N 0.946 109.547 108.800 -0.333 0.000 2.246 514 G HA2 -0.312 3.651 3.960 0.005 0.000 0.273 514 G HA3 -0.312 3.651 3.960 0.005 0.000 0.273 514 G C 1.019 175.903 174.900 -0.027 0.000 1.055 514 G CA 1.129 45.787 45.100 -0.736 0.000 0.851 514 G HN 0.429 nan 8.290 nan 0.000 0.500 515 T N -3.895 110.751 114.554 0.154 0.000 2.971 515 T HA 0.464 4.817 4.350 0.005 0.000 0.252 515 T C 0.498 175.356 174.700 0.264 0.000 1.022 515 T CA 0.762 62.989 62.100 0.212 0.000 0.980 515 T CB 0.914 69.868 68.868 0.143 0.000 1.044 515 T HN 0.496 nan 8.240 nan 0.000 0.501 516 E N 0.340 120.708 120.200 0.281 0.000 2.314 516 E HA 0.632 4.985 4.350 0.005 0.000 0.272 516 E C -1.967 174.660 176.600 0.044 0.000 0.884 516 E CA -0.928 55.596 56.400 0.207 0.000 0.753 516 E CB 3.366 33.243 29.700 0.296 0.000 1.213 516 E HN 0.067 nan 8.360 nan 0.000 0.432 517 V N 3.085 122.875 119.914 -0.207 0.000 2.540 517 V HA 0.507 4.630 4.120 0.005 0.000 0.302 517 V C -1.630 174.316 176.094 -0.247 0.000 1.035 517 V CA -0.490 61.435 62.300 -0.624 0.000 0.873 517 V CB 0.730 31.657 31.823 -1.494 0.000 0.992 517 V HN 0.581 nan 8.190 nan 0.000 0.428 518 W N 5.541 126.469 121.300 -0.620 0.000 2.512 518 W HA 0.755 5.415 4.660 0.001 0.000 0.335 518 W C -0.638 175.456 176.519 -0.709 0.000 1.088 518 W CA -1.079 55.971 57.345 -0.491 0.000 1.236 518 W CB 1.104 30.308 29.460 -0.427 0.000 1.307 518 W HN 0.384 nan 8.180 nan 0.000 0.567 519 F N 0.757 120.730 119.950 0.038 0.000 2.576 519 F HA 0.442 4.971 4.527 0.003 0.000 0.313 519 F C 0.333 176.136 175.800 0.006 0.000 1.078 519 F CA -1.052 56.948 58.000 0.001 0.000 0.921 519 F CB 1.786 40.778 39.000 -0.015 0.000 1.232 519 F HN -0.035 nan 8.300 nan 0.000 0.459 520 S N 1.307 117.124 115.700 0.195 0.000 2.525 520 S HA 0.542 5.015 4.470 0.005 0.000 0.278 520 S C -0.564 174.137 174.600 0.169 0.000 1.234 520 S CA -0.652 57.623 58.200 0.124 0.000 1.058 520 S CB 1.365 64.588 63.200 0.039 0.000 0.983 520 S HN 0.326 nan 8.310 nan 0.000 0.495 521 V N 4.358 124.356 119.914 0.141 0.000 2.239 521 V HA 0.184 4.307 4.120 0.005 0.000 0.267 521 V C -0.701 175.517 176.094 0.207 0.000 1.056 521 V CA -0.724 61.660 62.300 0.139 0.000 0.830 521 V CB -0.137 31.730 31.823 0.073 0.000 1.090 521 V HN 0.901 nan 8.190 nan 0.000 0.459 522 W N 5.927 127.240 121.300 0.021 0.000 2.481 522 W HA 0.426 5.089 4.660 0.005 0.000 0.320 522 W C -0.071 176.456 176.519 0.013 0.000 1.209 522 W CA -0.486 56.872 57.345 0.020 0.000 1.400 522 W CB 0.194 29.672 29.460 0.030 0.000 1.361 522 W HN 0.437 nan 8.180 nan 0.000 0.456 523 N N 2.605 121.424 118.700 0.199 0.000 2.619 523 N HA 0.608 5.351 4.740 0.005 0.000 0.294 523 N C 0.092 175.624 175.510 0.036 0.000 1.279 523 N CA -0.322 52.734 53.050 0.010 0.000 0.867 523 N CB 1.443 39.948 38.487 0.029 0.000 1.329 523 N HN 0.451 nan 8.380 nan 0.000 0.557 524 G N 0.130 108.917 108.800 -0.022 0.000 2.664 524 G HA2 0.013 3.976 3.960 0.005 0.000 0.242 524 G HA3 0.013 3.976 3.960 0.005 0.000 0.242 524 G C 0.913 175.862 174.900 0.081 0.000 1.225 524 G CA -0.112 45.000 45.100 0.019 0.000 0.849 524 G HN 0.690 nan 8.290 nan 0.000 0.581 525 K N -0.592 119.869 120.400 0.101 0.000 2.074 525 K HA -0.126 4.197 4.320 0.005 0.000 0.209 525 K C 0.918 177.563 176.600 0.076 0.000 1.048 525 K CA 1.820 58.171 56.287 0.107 0.000 0.926 525 K CB 0.028 32.599 32.500 0.118 0.000 0.713 525 K HN 0.485 nan 8.250 nan 0.000 0.444 526 D N 0.484 120.917 120.400 0.055 0.000 2.342 526 D HA 0.037 4.680 4.640 0.005 0.000 0.221 526 D C 0.003 176.321 176.300 0.030 0.000 1.101 526 D CA 0.344 54.368 54.000 0.040 0.000 0.837 526 D CB 0.537 41.356 40.800 0.032 0.000 0.938 526 D HN 0.361 nan 8.370 nan 0.000 0.508 527 Q N 0.219 120.039 119.800 0.033 0.000 2.333 527 Q HA 0.337 4.680 4.340 0.005 0.000 0.266 527 Q C -0.264 175.755 176.000 0.031 0.000 1.053 527 Q CA -0.785 55.031 55.803 0.022 0.000 0.890 527 Q CB 2.082 30.825 28.738 0.008 0.000 1.337 527 Q HN -0.040 nan 8.270 nan 0.000 0.474 528 E N 0.472 120.685 120.200 0.021 0.000 2.229 528 E HA 0.281 4.634 4.350 0.005 0.000 0.283 528 E C -1.059 175.562 176.600 0.034 0.000 1.030 528 E CA -0.022 56.391 56.400 0.023 0.000 0.836 528 E CB 0.828 30.533 29.700 0.009 0.000 1.068 528 E HN 0.424 nan 8.360 nan 0.000 0.401 529 S N 1.571 117.299 115.700 0.047 0.000 2.759 529 S HA 0.953 5.426 4.470 0.005 0.000 0.310 529 S C -1.080 173.543 174.600 0.037 0.000 1.123 529 S CA -0.396 57.843 58.200 0.066 0.000 0.959 529 S CB 1.846 65.112 63.200 0.111 0.000 1.172 529 S HN 0.732 nan 8.310 nan 0.000 0.539 530 A N 0.328 123.172 122.820 0.039 0.000 2.566 530 A HA 0.700 5.023 4.320 0.005 0.000 0.290 530 A C -2.260 175.324 177.584 0.001 0.000 1.071 530 A CA -0.693 51.343 52.037 -0.000 0.000 0.658 530 A CB 0.583 19.567 19.000 -0.026 0.000 1.285 530 A HN 0.600 nan 8.150 nan 0.000 0.427 531 L N 0.522 121.712 121.223 -0.055 0.000 2.346 531 L HA 0.719 5.062 4.340 0.005 0.000 0.276 531 L C -0.969 175.800 176.870 -0.168 0.000 1.006 531 L CA -1.111 53.683 54.840 -0.077 0.000 0.817 531 L CB 1.921 43.914 42.059 -0.111 0.000 1.272 531 L HN 0.455 nan 8.230 nan 0.000 0.421 532 V N 3.393 123.243 119.914 -0.107 0.000 2.448 532 V HA 0.400 4.523 4.120 0.005 0.000 0.295 532 V C -0.161 175.817 176.094 -0.194 0.000 1.025 532 V CA -0.629 61.604 62.300 -0.111 0.000 0.859 532 V CB 2.357 34.230 31.823 0.084 0.000 0.988 532 V HN 0.420 nan 8.190 nan 0.000 0.431 533 V N 5.897 125.572 119.914 -0.399 0.000 2.394 533 V HA 0.479 4.602 4.120 0.005 0.000 0.282 533 V C -0.091 175.899 176.094 -0.174 0.000 1.031 533 V CA -0.553 61.454 62.300 -0.489 0.000 0.881 533 V CB 1.695 32.987 31.823 -0.884 0.000 0.982 533 V HN 0.592 nan 8.190 nan 0.000 0.451 534 V N 3.354 123.260 119.914 -0.013 0.000 2.483 534 V HA 0.346 4.469 4.120 0.005 0.000 0.295 534 V C -0.051 176.093 176.094 0.083 0.000 1.035 534 V CA -0.657 61.706 62.300 0.106 0.000 0.896 534 V CB 1.945 33.944 31.823 0.293 0.000 0.986 534 V HN 0.902 nan 8.190 nan 0.000 0.447 535 D N 2.890 123.338 120.400 0.081 0.000 2.338 535 D HA 0.019 4.662 4.640 0.005 0.000 0.255 535 D C 0.857 177.276 176.300 0.198 0.000 1.237 535 D CA 0.119 54.187 54.000 0.114 0.000 0.883 535 D CB 1.339 42.180 40.800 0.068 0.000 1.087 535 D HN 0.736 nan 8.370 nan 0.000 0.485 536 D N 3.171 123.728 120.400 0.262 0.000 2.144 536 D HA -0.172 4.471 4.640 0.005 0.000 0.199 536 D C 1.425 177.989 176.300 0.439 0.000 0.984 536 D CA 1.147 55.402 54.000 0.424 0.000 0.834 536 D CB 0.439 41.560 40.800 0.535 0.000 0.955 536 D HN 0.196 nan 8.370 nan 0.000 0.465 537 K N -0.549 120.039 120.400 0.313 0.000 2.097 537 K HA -0.060 4.263 4.320 0.005 0.000 0.205 537 K C 2.177 178.938 176.600 0.270 0.000 1.050 537 K CA 1.669 58.127 56.287 0.285 0.000 0.938 537 K CB -0.692 31.918 32.500 0.184 0.000 0.718 537 K HN 0.440 nan 8.250 nan 0.000 0.442 538 T N -2.258 112.409 114.554 0.189 0.000 3.001 538 T HA 0.236 4.589 4.350 0.005 0.000 0.251 538 T C 0.963 175.713 174.700 0.084 0.000 1.040 538 T CA -0.240 61.935 62.100 0.125 0.000 0.985 538 T CB 0.012 68.925 68.868 0.075 0.000 1.011 538 T HN 0.169 nan 8.240 nan 0.000 0.509 539 L N 0.459 121.740 121.223 0.096 0.000 4.040 539 L HA -0.173 4.170 4.340 0.005 0.000 0.410 539 L C -0.233 176.746 176.870 0.181 0.000 1.187 539 L CA 0.509 55.403 54.840 0.091 0.000 0.956 539 L CB -1.943 40.056 42.059 -0.100 0.000 2.022 539 L HN 0.529 nan 8.230 nan 0.000 0.897 540 E N 0.089 120.336 120.200 0.078 0.000 2.232 540 E HA 0.524 4.877 4.350 0.005 0.000 0.265 540 E C -0.216 176.206 176.600 -0.296 0.000 1.001 540 E CA -1.219 55.125 56.400 -0.093 0.000 0.870 540 E CB 2.070 31.704 29.700 -0.110 0.000 1.175 540 E HN 0.099 nan 8.360 nan 0.000 0.407 541 L N 2.206 122.934 121.223 -0.824 0.000 2.455 541 L HA 0.018 4.361 4.340 0.005 0.000 0.272 541 L C 0.728 177.356 176.870 -0.404 0.000 1.174 541 L CA 0.648 54.995 54.840 -0.822 0.000 0.869 541 L CB 0.558 41.856 42.059 -1.268 0.000 1.130 541 L HN 0.441 nan 8.230 nan 0.000 0.474 542 K N 2.945 123.180 120.400 -0.274 0.000 2.240 542 K HA 0.181 4.504 4.320 0.005 0.000 0.202 542 K C -0.480 175.991 176.600 -0.214 0.000 1.053 542 K CA 0.759 56.931 56.287 -0.191 0.000 0.973 542 K CB 0.071 32.494 32.500 -0.127 0.000 0.924 542 K HN 0.838 nan 8.250 nan 0.000 0.477 543 H N -1.743 117.038 119.070 -0.483 0.000 3.094 543 H HA 0.473 5.032 4.556 0.006 0.000 0.335 543 H C -1.978 173.042 175.328 -0.514 0.000 1.254 543 H CA -0.739 54.968 56.048 -0.569 0.000 1.240 543 H CB 1.486 30.638 29.762 -1.017 0.000 1.936 543 H HN -0.169 nan 8.280 nan 0.000 0.536 544 V N 5.434 124.842 119.914 -0.844 0.000 2.448 544 V HA 0.374 4.497 4.120 0.005 0.000 0.295 544 V C -0.014 175.760 176.094 -0.534 0.000 1.025 544 V CA -0.541 61.442 62.300 -0.527 0.000 0.859 544 V CB 1.322 32.928 31.823 -0.362 0.000 0.988 544 V HN 0.565 nan 8.190 nan 0.000 0.431 545 I N 5.498 125.883 120.570 -0.309 0.000 2.312 545 I HA 0.476 4.649 4.170 0.005 0.000 0.290 545 I C 0.040 176.092 176.117 -0.109 0.000 1.008 545 I CA -0.238 60.962 61.300 -0.168 0.000 1.226 545 I CB 0.913 38.809 38.000 -0.173 0.000 1.371 545 I HN 0.490 nan 8.210 nan 0.000 0.468 546 K N 5.115 125.469 120.400 -0.077 0.000 2.422 546 K HA 0.544 4.867 4.320 0.005 0.000 0.251 546 K C -1.459 175.131 176.600 -0.017 0.000 0.933 546 K CA -0.885 55.376 56.287 -0.044 0.000 0.798 546 K CB 2.722 35.189 32.500 -0.055 0.000 1.238 546 K HN 0.479 nan 8.250 nan 0.000 0.428 547 D N 1.253 121.652 120.400 -0.001 0.000 2.745 547 D HA 0.023 4.666 4.640 0.005 0.000 0.221 547 D C 0.129 176.440 176.300 0.017 0.000 1.237 547 D CA -0.244 53.762 54.000 0.010 0.000 0.781 547 D CB 1.748 42.558 40.800 0.018 0.000 1.575 547 D HN 0.414 nan 8.370 nan 0.000 0.482 548 E N 1.431 121.642 120.200 0.018 0.000 2.209 548 E HA -0.142 4.211 4.350 0.005 0.000 0.196 548 E C 1.462 178.081 176.600 0.032 0.000 0.993 548 E CA 0.995 57.409 56.400 0.023 0.000 0.819 548 E CB 0.110 29.823 29.700 0.022 0.000 0.745 548 E HN 0.425 nan 8.360 nan 0.000 0.477 549 R N -0.013 120.507 120.500 0.033 0.000 2.236 549 R HA 0.031 4.374 4.340 0.005 0.000 0.208 549 R C 0.964 177.290 176.300 0.043 0.000 1.036 549 R CA -0.068 56.055 56.100 0.040 0.000 1.001 549 R CB -0.087 30.236 30.300 0.039 0.000 0.896 549 R HN -0.032 nan 8.270 nan 0.000 0.464 550 L N 2.137 123.384 121.223 0.040 0.000 2.376 550 L HA 0.099 4.442 4.340 0.005 0.000 0.250 550 L C -0.743 176.158 176.870 0.053 0.000 1.335 550 L CA 0.137 55.003 54.840 0.043 0.000 1.214 550 L CB 0.369 42.449 42.059 0.035 0.000 1.395 550 L HN -0.204 nan 8.230 nan 0.000 0.424 551 V N 2.784 122.733 119.914 0.058 0.000 2.432 551 V HA 0.208 4.331 4.120 0.005 0.000 0.275 551 V C 0.855 176.999 176.094 0.084 0.000 1.043 551 V CA 0.006 62.351 62.300 0.075 0.000 0.925 551 V CB 0.949 32.817 31.823 0.076 0.000 0.985 551 V HN 0.847 nan 8.190 nan 0.000 0.466 552 T N 4.183 118.821 114.554 0.140 0.000 3.433 552 T HA -0.121 4.232 4.350 0.005 0.000 0.412 552 T C -1.684 173.019 174.700 0.006 0.000 0.768 552 T CA -0.043 62.181 62.100 0.208 0.000 2.077 552 T CB -1.734 67.287 68.868 0.255 0.000 1.700 552 T HN 0.591 nan 8.240 nan 0.000 0.666 553 P HA 0.232 nan 4.420 nan 0.000 0.271 553 P C 0.949 178.087 177.300 -0.270 0.000 1.220 553 P CA 0.075 63.124 63.100 -0.085 0.000 0.768 553 P CB 1.557 33.258 31.700 0.001 0.000 0.848 554 T N 0.875 115.213 114.554 -0.359 0.000 2.638 554 T HA 0.367 4.720 4.350 0.005 0.000 0.169 554 T C 1.002 175.496 174.700 -0.344 0.000 0.790 554 T CA 0.080 61.866 62.100 -0.523 0.000 1.151 554 T CB -0.788 67.607 68.868 -0.788 0.000 2.581 554 T HN 0.332 nan 8.240 nan 0.000 0.391 555 G N 1.875 110.486 108.800 -0.316 0.000 2.441 555 G HA2 0.503 4.466 3.960 0.005 0.000 0.243 555 G HA3 0.503 4.466 3.960 0.005 0.000 0.243 555 G C -0.998 173.663 174.900 -0.398 0.000 1.281 555 G CA -0.449 44.433 45.100 -0.364 0.000 0.854 555 G HN 0.653 nan 8.290 nan 0.000 0.560 556 K N 0.677 120.612 120.400 -0.774 0.000 2.443 556 K HA 0.488 4.811 4.320 0.005 0.000 0.252 556 K C -1.612 174.408 176.600 -0.967 0.000 0.933 556 K CA -0.472 55.516 56.287 -0.498 0.000 0.792 556 K CB 2.326 34.717 32.500 -0.182 0.000 1.185 556 K HN 0.365 nan 8.250 nan 0.000 0.425 557 F N 1.499 121.420 119.950 -0.047 0.000 2.612 557 F HA 0.244 4.775 4.527 0.006 0.000 0.332 557 F C 0.217 175.830 175.800 -0.312 0.000 1.167 557 F CA -0.970 56.948 58.000 -0.137 0.000 0.970 557 F CB 1.427 40.382 39.000 -0.075 0.000 1.234 557 F HN 0.448 nan 8.300 nan 0.000 0.453 558 N N 2.474 120.897 118.700 -0.461 0.000 2.497 558 N HA 0.083 4.826 4.740 0.005 0.000 0.268 558 N C 0.986 176.349 175.510 -0.244 0.000 1.171 558 N CA 0.013 52.589 53.050 -0.789 0.000 0.948 558 N CB 1.523 39.435 38.487 -0.957 0.000 1.069 558 N HN 0.472 nan 8.380 nan 0.000 0.460 559 V N 4.622 124.437 119.914 -0.165 0.000 2.252 559 V HA -0.287 3.836 4.120 0.005 0.000 0.249 559 V C 1.809 177.923 176.094 0.035 0.000 1.056 559 V CA 1.798 64.093 62.300 -0.008 0.000 1.022 559 V CB -1.083 30.767 31.823 0.045 0.000 0.641 559 V HN 0.750 nan 8.190 nan 0.000 0.445 560 Y N 1.622 121.895 120.300 -0.045 0.000 2.145 560 Y HA -0.217 4.338 4.550 0.009 0.000 0.286 560 Y C 2.529 178.451 175.900 0.036 0.000 1.145 560 Y CA 2.075 60.178 58.100 0.006 0.000 1.148 560 Y CB -0.279 38.189 38.460 0.013 0.000 0.981 560 Y HN 0.308 nan 8.280 nan 0.000 0.507 561 N N -0.943 117.837 118.700 0.133 0.000 2.309 561 N HA -0.117 4.626 4.740 0.005 0.000 0.182 561 N C 1.606 177.183 175.510 0.111 0.000 1.018 561 N CA 1.698 54.830 53.050 0.137 0.000 0.876 561 N CB -0.471 38.142 38.487 0.209 0.000 0.972 561 N HN 0.390 nan 8.380 nan 0.000 0.434 562 T N 1.584 116.185 114.554 0.079 0.000 2.894 562 T HA 0.012 4.365 4.350 0.005 0.000 0.258 562 T C 2.030 176.755 174.700 0.041 0.000 1.043 562 T CA 0.776 62.942 62.100 0.110 0.000 1.141 562 T CB -0.068 68.862 68.868 0.105 0.000 0.873 562 T HN 0.362 nan 8.240 nan 0.000 0.449 563 M N 1.990 121.566 119.600 -0.039 0.000 2.296 563 M HA -0.011 4.472 4.480 0.005 0.000 0.265 563 M C 2.014 178.232 176.300 -0.136 0.000 1.064 563 M CA 1.817 57.069 55.300 -0.080 0.000 1.109 563 M CB -1.085 31.455 32.600 -0.100 0.000 1.396 563 M HN 0.219 nan 8.290 nan 0.000 0.430 564 T N -4.089 110.340 114.554 -0.208 0.000 3.069 564 T HA 0.160 4.513 4.350 0.005 0.000 0.252 564 T C -0.069 174.600 174.700 -0.052 0.000 1.053 564 T CA -0.023 61.952 62.100 -0.209 0.000 0.964 564 T CB -0.251 68.374 68.868 -0.405 0.000 1.005 564 T HN 0.443 nan 8.240 nan 0.000 0.532 565 D N 1.303 121.749 120.400 0.075 0.000 2.705 565 D HA -0.109 4.534 4.640 0.005 0.000 0.240 565 D C -0.714 175.548 176.300 -0.065 0.000 1.137 565 D CA 0.895 55.005 54.000 0.184 0.000 0.677 565 D CB -1.935 39.007 40.800 0.236 0.000 1.049 565 D HN 0.428 nan 8.370 nan 0.000 0.427 566 T N 1.242 115.821 114.554 0.042 0.000 2.811 566 T HA 0.498 4.851 4.350 0.005 0.000 0.309 566 T C -0.022 174.726 174.700 0.080 0.000 1.005 566 T CA -0.420 61.668 62.100 -0.019 0.000 0.955 566 T CB 0.293 69.197 68.868 0.060 0.000 0.970 566 T HN 0.270 nan 8.240 nan 0.000 0.496 567 Y N 0.000 120.371 120.300 0.119 0.000 2.660 567 Y HA 0.000 4.553 4.550 0.004 0.000 0.201 567 Y CA 0.000 58.180 58.100 0.134 0.000 1.940 567 Y CB 0.000 38.580 38.460 0.201 0.000 1.050 567 Y HN 0.000 nan 8.280 nan 0.000 0.758