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 2htl_1_A DATA FIRST_RESID 17 DATA SEQUENCE RRRQLIRQLL ERDKTPLAIL FMAAVVGTLV GLAAVAFDKG VAWLQNQRMG DATA SEQUENCE ALVHTADNYP LLLTVAFLCS AVLAMFGYFL VRKYAPEAGG SGIPEIEGAL DATA SEQUENCE EDQRPVRWWR VLPVKFFGGL GTLGGGMVLG REGPTVQIGG NIGRMVLDIF DATA SEQUENCE RLKGDEARHT LLATGAAAGL AAAFNAPLAG ILFIIEEMRP QFRYTLISIK DATA SEQUENCE AVFIGVIMST IMYRIFNHEV ALIDVGKLSD APLNTLWLYL ILGIIFGIFG DATA SEQUENCE PIFNKWVLGM QDLLHRVHGG NITKWVLMGG AIGGLCGLLG FVAPATSGGG DATA SEQUENCE FNLIPIATAG NFSMGMLVFI FVARVITTLL CFSSGAPGGI FAPMLALGTV DATA SEQUENCE LGTAFGMVAV ELFPQYHLEA GTFAIAGMGA LLAASIRAPL TGIILVLEMT DATA SEQUENCE DNYQLILPMI ITGLGATLLA QFTGGKPLFS AILARTLAKQ EAEQ 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 17 R HA 0.000 nan 4.340 nan 0.000 0.208 17 R C 0.000 176.290 176.300 -0.017 0.000 0.893 17 R CA 0.000 56.091 56.100 -0.016 0.000 0.921 17 R CB 0.000 30.289 30.300 -0.018 0.000 0.687 18 R N 1.977 122.470 120.500 -0.013 0.000 2.075 18 R HA 0.072 4.408 4.340 -0.006 0.000 0.232 18 R C 1.907 178.200 176.300 -0.011 0.000 1.126 18 R CA 1.832 57.925 56.100 -0.012 0.000 0.963 18 R CB -0.031 30.264 30.300 -0.009 0.000 0.858 18 R HN 0.235 nan 8.270 nan 0.000 0.435 19 R N 0.408 120.902 120.500 -0.010 0.000 2.152 19 R HA -0.127 4.209 4.340 -0.006 0.000 0.232 19 R C 2.344 178.638 176.300 -0.010 0.000 1.117 19 R CA 1.576 57.671 56.100 -0.008 0.000 0.981 19 R CB -0.066 30.230 30.300 -0.007 0.000 0.870 19 R HN 0.338 nan 8.270 nan 0.000 0.451 20 Q N -0.025 119.767 119.800 -0.013 0.000 2.123 20 Q HA -0.157 4.179 4.340 -0.006 0.000 0.199 20 Q C 1.943 177.932 176.000 -0.020 0.000 0.966 20 Q CA 1.163 56.956 55.803 -0.016 0.000 0.845 20 Q CB 0.026 28.752 28.738 -0.020 0.000 0.907 20 Q HN 0.302 nan 8.270 nan 0.000 0.439 21 L N 0.745 121.955 121.223 -0.021 0.000 2.017 21 L HA -0.182 4.155 4.340 -0.006 0.000 0.208 21 L C 2.013 178.874 176.870 -0.016 0.000 1.073 21 L CA 1.481 56.308 54.840 -0.023 0.000 0.745 21 L CB -0.567 41.478 42.059 -0.022 0.000 0.894 21 L HN 0.258 nan 8.230 nan 0.000 0.432 22 I N -0.144 120.418 120.570 -0.012 0.000 2.264 22 I HA -0.268 3.898 4.170 -0.006 0.000 0.248 22 I C 2.685 178.797 176.117 -0.008 0.000 1.111 22 I CA 1.368 62.663 61.300 -0.009 0.000 1.382 22 I CB -1.345 36.650 38.000 -0.007 0.000 1.060 22 I HN 0.396 nan 8.210 nan 0.000 0.418 23 R N 1.424 121.919 120.500 -0.008 0.000 2.075 23 R HA -0.166 4.170 4.340 -0.006 0.000 0.232 23 R C 2.198 178.495 176.300 -0.006 0.000 1.126 23 R CA 1.628 57.724 56.100 -0.006 0.000 0.963 23 R CB -0.421 29.875 30.300 -0.006 0.000 0.858 23 R HN 0.412 nan 8.270 nan 0.000 0.435 24 Q N -0.211 119.584 119.800 -0.010 0.000 2.049 24 Q HA -0.021 4.315 4.340 -0.006 0.000 0.198 24 Q C 2.215 178.212 176.000 -0.004 0.000 0.971 24 Q CA 1.613 57.410 55.803 -0.009 0.000 0.833 24 Q CB -0.128 28.597 28.738 -0.021 0.000 0.896 24 Q HN 0.299 nan 8.270 nan 0.000 0.434 25 L N 0.442 121.660 121.223 -0.007 0.000 1.990 25 L HA -0.253 4.083 4.340 -0.006 0.000 0.213 25 L C 2.246 179.114 176.870 -0.002 0.000 1.072 25 L CA 1.198 56.035 54.840 -0.005 0.000 0.755 25 L CB -0.519 41.537 42.059 -0.006 0.000 0.889 25 L HN 0.281 nan 8.230 nan 0.000 0.432 26 L N -0.595 120.626 121.223 -0.003 0.000 2.447 26 L HA -0.160 4.177 4.340 -0.006 0.000 0.225 26 L C 1.588 178.457 176.870 -0.000 0.000 1.148 26 L CA 0.732 55.571 54.840 -0.002 0.000 0.808 26 L CB -0.199 41.858 42.059 -0.003 0.000 0.928 26 L HN 0.294 nan 8.230 nan 0.000 0.448 27 E N -0.631 119.571 120.200 0.002 0.000 2.624 27 E HA 0.129 4.475 4.350 -0.006 0.000 0.210 27 E C 0.166 176.773 176.600 0.011 0.000 0.997 27 E CA -0.107 56.296 56.400 0.006 0.000 0.999 27 E CB 0.387 30.091 29.700 0.007 0.000 1.040 27 E HN 0.298 nan 8.360 nan 0.000 0.469 28 R N 1.647 122.152 120.500 0.009 0.000 2.582 28 R HA 0.019 4.355 4.340 -0.006 0.000 0.271 28 R C -0.263 176.043 176.300 0.010 0.000 1.078 28 R CA 0.139 56.247 56.100 0.014 0.000 1.127 28 R CB 0.327 30.633 30.300 0.010 0.000 1.038 28 R HN -0.149 nan 8.270 nan 0.000 0.500 29 D N 1.723 122.131 120.400 0.013 0.000 2.705 29 D HA -0.154 4.482 4.640 -0.006 0.000 0.240 29 D C -1.408 174.893 176.300 0.002 0.000 1.137 29 D CA 1.225 55.227 54.000 0.003 0.000 0.677 29 D CB -0.527 40.266 40.800 -0.011 0.000 1.049 29 D HN 0.507 nan 8.370 nan 0.000 0.427 30 K N 0.967 121.373 120.400 0.010 0.000 2.592 30 K HA 0.313 4.629 4.320 -0.006 0.000 0.212 30 K C -0.655 175.953 176.600 0.013 0.000 1.013 30 K CA -0.580 55.713 56.287 0.009 0.000 1.034 30 K CB 1.265 33.770 32.500 0.009 0.000 1.292 30 K HN 0.024 nan 8.250 nan 0.000 0.521 31 T N 2.910 117.470 114.554 0.010 0.000 2.806 31 T HA 0.256 4.603 4.350 -0.006 0.000 0.290 31 T C -2.297 172.410 174.700 0.012 0.000 0.966 31 T CA -1.637 60.470 62.100 0.013 0.000 1.060 31 T CB 0.790 69.665 68.868 0.012 0.000 0.927 31 T HN 0.174 nan 8.240 nan 0.000 0.485 32 P HA 0.108 nan 4.420 nan 0.000 0.263 32 P C 1.084 178.392 177.300 0.013 0.000 1.195 32 P CA -0.311 62.794 63.100 0.009 0.000 0.762 32 P CB 0.445 32.150 31.700 0.007 0.000 0.799 33 L N 3.709 124.938 121.223 0.010 0.000 2.103 33 L HA -0.334 4.002 4.340 -0.006 0.000 0.215 33 L C 1.999 178.893 176.870 0.040 0.000 1.080 33 L CA 2.309 57.162 54.840 0.022 0.000 0.764 33 L CB -0.542 41.518 42.059 0.001 0.000 0.890 33 L HN 0.448 nan 8.230 nan 0.000 0.435 34 A N -0.489 122.337 122.820 0.010 0.000 1.933 34 A HA -0.175 4.141 4.320 -0.006 0.000 0.218 34 A C 1.989 179.594 177.584 0.034 0.000 1.175 34 A CA 1.861 53.904 52.037 0.009 0.000 0.628 34 A CB -0.649 18.338 19.000 -0.022 0.000 0.814 34 A HN 0.462 nan 8.150 nan 0.000 0.444 35 I N -0.077 120.506 120.570 0.022 0.000 2.202 35 I HA -0.207 3.959 4.170 -0.006 0.000 0.242 35 I C 2.391 178.519 176.117 0.017 0.000 1.091 35 I CA 1.024 62.331 61.300 0.012 0.000 1.368 35 I CB -0.468 37.537 38.000 0.008 0.000 1.058 35 I HN 0.271 nan 8.210 nan 0.000 0.410 36 L N -0.992 120.251 121.223 0.034 0.000 1.989 36 L HA -0.253 4.083 4.340 -0.006 0.000 0.211 36 L C 2.533 179.423 176.870 0.033 0.000 1.071 36 L CA 1.650 56.509 54.840 0.033 0.000 0.749 36 L CB -0.842 41.242 42.059 0.042 0.000 0.890 36 L HN 0.183 nan 8.230 nan 0.000 0.431 37 F N -0.085 119.824 119.950 -0.068 0.000 2.161 37 F HA -0.260 4.263 4.527 -0.006 0.000 0.300 37 F C 2.497 178.218 175.800 -0.131 0.000 1.089 37 F CA 1.422 59.368 58.000 -0.090 0.000 1.282 37 F CB 0.017 38.959 39.000 -0.098 0.000 1.010 37 F HN 0.000 nan 8.300 nan 0.000 0.485 38 M N -0.097 119.511 119.600 0.014 0.000 2.349 38 M HA 0.006 4.482 4.480 -0.006 0.000 0.266 38 M C 2.487 178.693 176.300 -0.156 0.000 1.076 38 M CA 1.224 56.448 55.300 -0.126 0.000 1.126 38 M CB -1.790 30.741 32.600 -0.115 0.000 1.392 38 M HN 0.292 nan 8.290 nan 0.000 0.440 39 A N 0.416 123.171 122.820 -0.108 0.000 1.902 39 A HA -0.019 4.297 4.320 -0.006 0.000 0.217 39 A C 2.438 179.942 177.584 -0.135 0.000 1.181 39 A CA 2.027 54.007 52.037 -0.095 0.000 0.623 39 A CB -0.851 18.120 19.000 -0.049 0.000 0.818 39 A HN 0.447 nan 8.150 nan 0.000 0.443 40 A N -0.850 121.852 122.820 -0.196 0.000 1.883 40 A HA -0.070 4.246 4.320 -0.006 0.000 0.217 40 A C 2.308 179.735 177.584 -0.261 0.000 1.186 40 A CA 1.871 53.763 52.037 -0.241 0.000 0.624 40 A CB -1.046 17.745 19.000 -0.347 0.000 0.822 40 A HN 0.703 nan 8.150 nan 0.000 0.444 41 V N -0.493 119.219 119.914 -0.336 0.000 2.667 41 V HA -0.134 3.982 4.120 -0.006 0.000 0.252 41 V C 2.408 178.406 176.094 -0.159 0.000 1.065 41 V CA 1.739 63.884 62.300 -0.259 0.000 1.083 41 V CB -0.170 31.477 31.823 -0.293 0.000 0.692 41 V HN 0.336 nan 8.190 nan 0.000 0.468 42 V N 0.663 120.488 119.914 -0.148 0.000 2.237 42 V HA -0.153 3.963 4.120 -0.006 0.000 0.245 42 V C 2.685 178.720 176.094 -0.099 0.000 1.046 42 V CA 2.285 64.518 62.300 -0.111 0.000 1.007 42 V CB -1.490 30.274 31.823 -0.099 0.000 0.638 42 V HN 0.600 nan 8.190 nan 0.000 0.445 43 G N -0.137 108.605 108.800 -0.098 0.000 2.553 43 G HA2 -0.325 3.631 3.960 -0.006 0.000 0.218 43 G HA3 -0.325 3.631 3.960 -0.006 0.000 0.218 43 G C 1.674 176.532 174.900 -0.071 0.000 1.195 43 G CA 1.904 46.955 45.100 -0.082 0.000 0.779 43 G HN 0.482 nan 8.290 nan 0.000 0.577 44 T N 1.456 115.964 114.554 -0.077 0.000 2.653 44 T HA -0.165 4.181 4.350 -0.006 0.000 0.268 44 T C 2.415 177.083 174.700 -0.052 0.000 1.035 44 T CA 1.442 63.508 62.100 -0.057 0.000 1.154 44 T CB -0.328 68.497 68.868 -0.072 0.000 0.862 44 T HN 0.177 nan 8.240 nan 0.000 0.441 45 L N 0.433 121.615 121.223 -0.068 0.000 2.005 45 L HA -0.081 4.255 4.340 -0.006 0.000 0.207 45 L C 2.787 179.613 176.870 -0.073 0.000 1.072 45 L CA 0.893 55.690 54.840 -0.070 0.000 0.744 45 L CB -0.789 41.224 42.059 -0.078 0.000 0.895 45 L HN 0.129 nan 8.230 nan 0.000 0.433 46 V N 0.391 120.259 119.914 -0.076 0.000 2.252 46 V HA -0.298 3.818 4.120 -0.006 0.000 0.249 46 V C 2.609 178.667 176.094 -0.061 0.000 1.056 46 V CA 2.193 64.446 62.300 -0.077 0.000 1.022 46 V CB -1.533 30.238 31.823 -0.086 0.000 0.641 46 V HN 0.605 nan 8.190 nan 0.000 0.445 47 G N -0.240 108.532 108.800 -0.046 0.000 2.511 47 G HA2 -0.247 3.709 3.960 -0.006 0.000 0.216 47 G HA3 -0.247 3.709 3.960 -0.006 0.000 0.216 47 G C 1.565 176.449 174.900 -0.027 0.000 1.218 47 G CA 1.201 46.293 45.100 -0.013 0.000 0.788 47 G HN 0.451 nan 8.290 nan 0.000 0.560 48 L N 0.753 121.943 121.223 -0.057 0.000 2.089 48 L HA -0.203 4.133 4.340 -0.006 0.000 0.213 48 L C 3.415 180.221 176.870 -0.107 0.000 1.079 48 L CA 1.244 56.009 54.840 -0.125 0.000 0.758 48 L CB -0.469 41.529 42.059 -0.101 0.000 0.891 48 L HN 0.366 nan 8.230 nan 0.000 0.433 49 A N -0.177 122.609 122.820 -0.057 0.000 1.855 49 A HA -0.111 4.205 4.320 -0.006 0.000 0.215 49 A C 2.558 180.204 177.584 0.103 0.000 1.191 49 A CA 1.568 53.605 52.037 -0.000 0.000 0.613 49 A CB -0.722 18.253 19.000 -0.041 0.000 0.829 49 A HN 0.387 nan 8.150 nan 0.000 0.442 50 A N -0.460 122.386 122.820 0.043 0.000 1.883 50 A HA -0.062 4.254 4.320 -0.006 0.000 0.217 50 A C 2.242 179.908 177.584 0.136 0.000 1.186 50 A CA 1.949 54.029 52.037 0.071 0.000 0.624 50 A CB -1.134 17.861 19.000 -0.008 0.000 0.822 50 A HN 0.420 nan 8.150 nan 0.000 0.444 51 V N -0.151 119.798 119.914 0.059 0.000 2.282 51 V HA -0.314 3.803 4.120 -0.006 0.000 0.249 51 V C 3.068 179.137 176.094 -0.042 0.000 1.057 51 V CA 2.195 64.486 62.300 -0.015 0.000 1.032 51 V CB -1.279 30.392 31.823 -0.252 0.000 0.645 51 V HN 0.655 nan 8.190 nan 0.000 0.447 52 A N -0.636 122.168 122.820 -0.026 0.000 1.877 52 A HA -0.247 4.069 4.320 -0.006 0.000 0.216 52 A C 2.120 179.757 177.584 0.088 0.000 1.186 52 A CA 2.106 54.161 52.037 0.031 0.000 0.620 52 A CB -0.757 18.305 19.000 0.103 0.000 0.822 52 A HN 0.539 nan 8.150 nan 0.000 0.443 53 F N 1.211 121.175 119.950 0.023 0.000 2.069 53 F HA -0.237 4.286 4.527 -0.007 0.000 0.298 53 F C 2.010 177.732 175.800 -0.130 0.000 1.113 53 F CA 2.306 60.195 58.000 -0.186 0.000 1.214 53 F CB -0.336 38.579 39.000 -0.141 0.000 0.978 53 F HN 0.345 nan 8.300 nan 0.000 0.474 54 D N 0.548 121.007 120.400 0.098 0.000 2.154 54 D HA -0.233 4.403 4.640 -0.006 0.000 0.190 54 D C 2.028 178.290 176.300 -0.062 0.000 1.003 54 D CA 1.679 55.705 54.000 0.042 0.000 0.849 54 D CB -0.172 40.725 40.800 0.161 0.000 0.942 54 D HN 0.209 nan 8.370 nan 0.000 0.446 55 K N -0.125 120.246 120.400 -0.049 0.000 2.097 55 K HA -0.008 4.308 4.320 -0.006 0.000 0.205 55 K C 2.213 178.781 176.600 -0.054 0.000 1.050 55 K CA 1.011 57.279 56.287 -0.032 0.000 0.938 55 K CB -0.821 31.662 32.500 -0.030 0.000 0.718 55 K HN 0.285 nan 8.250 nan 0.000 0.442 56 G N 1.329 110.028 108.800 -0.169 0.000 2.433 56 G HA2 -0.216 3.740 3.960 -0.006 0.000 0.216 56 G HA3 -0.216 3.740 3.960 -0.006 0.000 0.216 56 G C 1.729 176.526 174.900 -0.172 0.000 1.186 56 G CA 0.918 45.897 45.100 -0.201 0.000 0.779 56 G HN 0.105 nan 8.290 nan 0.000 0.543 57 V N 1.722 121.409 119.914 -0.379 0.000 2.287 57 V HA -0.191 3.925 4.120 -0.006 0.000 0.248 57 V C 3.357 179.387 176.094 -0.106 0.000 1.053 57 V CA 2.180 64.295 62.300 -0.308 0.000 1.027 57 V CB -1.016 30.544 31.823 -0.439 0.000 0.646 57 V HN 0.506 nan 8.190 nan 0.000 0.447 58 A N -0.932 121.857 122.820 -0.052 0.000 1.865 58 A HA -0.310 4.006 4.320 -0.006 0.000 0.217 58 A C 1.971 179.589 177.584 0.057 0.000 1.191 58 A CA 2.187 54.234 52.037 0.017 0.000 0.623 58 A CB -1.085 17.940 19.000 0.042 0.000 0.826 58 A HN 0.718 nan 8.150 nan 0.000 0.444 59 W N 0.472 121.720 121.300 -0.086 0.000 2.321 59 W HA -0.186 4.470 4.660 -0.005 0.000 0.306 59 W C 1.834 178.312 176.519 -0.068 0.000 1.217 59 W CA 2.097 59.401 57.345 -0.068 0.000 1.257 59 W CB -0.289 29.128 29.460 -0.071 0.000 1.145 59 W HN 0.281 nan 8.180 nan 0.000 0.509 60 L N -0.230 121.013 121.223 0.033 0.000 2.044 60 L HA -0.210 4.127 4.340 -0.006 0.000 0.205 60 L C 2.652 179.423 176.870 -0.166 0.000 1.075 60 L CA 1.479 56.248 54.840 -0.118 0.000 0.747 60 L CB -1.046 41.007 42.059 -0.011 0.000 0.903 60 L HN -0.018 nan 8.230 nan 0.000 0.435 61 Q N -0.345 119.395 119.800 -0.100 0.000 2.181 61 Q HA -0.239 4.098 4.340 -0.006 0.000 0.205 61 Q C 1.988 177.924 176.000 -0.107 0.000 0.980 61 Q CA 1.597 57.353 55.803 -0.078 0.000 0.862 61 Q CB -0.229 28.487 28.738 -0.036 0.000 0.905 61 Q HN 0.523 nan 8.270 nan 0.000 0.429 62 N N -0.302 118.304 118.700 -0.157 0.000 2.135 62 N HA -0.167 4.569 4.740 -0.006 0.000 0.186 62 N C 1.619 176.967 175.510 -0.270 0.000 1.027 62 N CA 0.688 53.627 53.050 -0.185 0.000 0.849 62 N CB 0.257 38.636 38.487 -0.180 0.000 1.002 62 N HN 0.198 nan 8.380 nan 0.000 0.425 63 Q N 1.084 120.611 119.800 -0.454 0.000 2.061 63 Q HA -0.111 4.226 4.340 -0.006 0.000 0.204 63 Q C 2.086 177.930 176.000 -0.262 0.000 0.984 63 Q CA 1.145 56.669 55.803 -0.465 0.000 0.846 63 Q CB -0.541 27.772 28.738 -0.709 0.000 0.902 63 Q HN 0.443 nan 8.270 nan 0.000 0.421 64 R N -0.101 120.274 120.500 -0.208 0.000 2.105 64 R HA -0.090 4.246 4.340 -0.006 0.000 0.239 64 R C 2.234 178.481 176.300 -0.088 0.000 1.135 64 R CA 1.427 57.453 56.100 -0.124 0.000 0.967 64 R CB -0.272 29.974 30.300 -0.090 0.000 0.861 64 R HN 0.183 nan 8.270 nan 0.000 0.442 65 M N -0.220 119.331 119.600 -0.081 0.000 2.229 65 M HA -0.010 4.466 4.480 -0.006 0.000 0.264 65 M C 1.884 178.157 176.300 -0.045 0.000 1.063 65 M CA 1.584 56.861 55.300 -0.038 0.000 1.114 65 M CB -0.080 32.505 32.600 -0.025 0.000 1.387 65 M HN 0.156 nan 8.290 nan 0.000 0.420 66 G N -1.050 107.700 108.800 -0.083 0.000 2.448 66 G HA2 0.013 3.969 3.960 -0.006 0.000 0.218 66 G HA3 0.013 3.969 3.960 -0.006 0.000 0.218 66 G C 1.473 176.347 174.900 -0.043 0.000 1.135 66 G CA 0.685 45.743 45.100 -0.070 0.000 0.784 66 G HN 0.602 nan 8.290 nan 0.000 0.543 67 A N 0.906 123.691 122.820 -0.059 0.000 1.897 67 A HA 0.179 4.496 4.320 -0.006 0.000 0.215 67 A C 2.294 179.876 177.584 -0.004 0.000 1.181 67 A CA 0.829 52.849 52.037 -0.027 0.000 0.620 67 A CB -0.337 18.629 19.000 -0.056 0.000 0.821 67 A HN 0.312 nan 8.150 nan 0.000 0.443 68 L N -0.299 120.893 121.223 -0.051 0.000 2.353 68 L HA -0.105 4.231 4.340 -0.006 0.000 0.220 68 L C 2.200 179.040 176.870 -0.049 0.000 1.133 68 L CA 0.598 55.378 54.840 -0.100 0.000 0.798 68 L CB -0.615 41.355 42.059 -0.149 0.000 0.922 68 L HN 0.223 nan 8.230 nan 0.000 0.445 69 V N -0.773 119.140 119.914 -0.001 0.000 2.535 69 V HA -0.224 3.892 4.120 -0.006 0.000 0.246 69 V C 2.351 178.462 176.094 0.028 0.000 1.045 69 V CA 1.441 63.751 62.300 0.016 0.000 1.058 69 V CB -0.482 31.355 31.823 0.023 0.000 0.689 69 V HN 0.483 nan 8.190 nan 0.000 0.461 70 H N 1.202 120.246 119.070 -0.042 0.000 2.491 70 H HA -0.073 4.479 4.556 -0.006 0.000 0.290 70 H C 1.492 176.798 175.328 -0.037 0.000 1.050 70 H CA 1.717 57.743 56.048 -0.035 0.000 1.309 70 H CB 0.142 29.882 29.762 -0.037 0.000 1.392 70 H HN 0.546 nan 8.280 nan 0.000 0.554 71 T N -3.290 111.215 114.554 -0.083 0.000 3.448 71 T HA 0.546 4.892 4.350 -0.006 0.000 0.271 71 T C 1.306 175.943 174.700 -0.106 0.000 1.002 71 T CA -0.072 61.954 62.100 -0.123 0.000 0.995 71 T CB 0.305 69.129 68.868 -0.072 0.000 1.153 71 T HN 0.318 nan 8.240 nan 0.000 0.510 72 A N 1.535 124.305 122.820 -0.083 0.000 2.168 72 A HA 0.086 4.402 4.320 -0.006 0.000 0.215 72 A C 1.540 179.105 177.584 -0.033 0.000 1.152 72 A CA 1.154 53.160 52.037 -0.051 0.000 0.716 72 A CB -0.388 18.602 19.000 -0.016 0.000 0.794 72 A HN 0.759 nan 8.150 nan 0.000 0.465 73 D N -0.160 120.217 120.400 -0.038 0.000 2.101 73 D HA -0.081 4.555 4.640 -0.006 0.000 0.286 73 D C 0.673 176.982 176.300 0.016 0.000 1.145 73 D CA 0.028 54.024 54.000 -0.005 0.000 0.883 73 D CB -1.200 39.590 40.800 -0.017 0.000 0.935 73 D HN 0.260 nan 8.370 nan 0.000 0.313 74 N N -0.112 118.596 118.700 0.014 0.000 1.865 74 N HA -0.255 4.481 4.740 -0.006 0.000 0.287 74 N C 0.286 175.837 175.510 0.069 0.000 1.348 74 N CA 0.017 53.091 53.050 0.041 0.000 0.968 74 N CB -0.350 38.142 38.487 0.009 0.000 1.358 74 N HN 0.324 nan 8.380 nan 0.000 0.478 75 Y N 4.635 124.937 120.300 0.004 0.000 2.081 75 Y HA -0.191 4.354 4.550 -0.008 0.000 0.280 75 Y C -0.822 175.078 175.900 -0.001 0.000 1.163 75 Y CA 1.539 59.651 58.100 0.020 0.000 1.135 75 Y CB -0.489 38.001 38.460 0.051 0.000 0.970 75 Y HN 0.615 nan 8.280 nan 0.000 0.498 76 P HA -0.191 nan 4.420 nan 0.000 0.217 76 P C 1.554 178.892 177.300 0.062 0.000 1.150 76 P CA 1.269 64.472 63.100 0.172 0.000 0.832 76 P CB -0.116 31.644 31.700 0.100 0.000 0.787 77 L N -1.119 120.121 121.223 0.028 0.000 2.141 77 L HA -0.072 4.264 4.340 -0.006 0.000 0.209 77 L C 2.105 178.938 176.870 -0.062 0.000 1.094 77 L CA 1.476 56.309 54.840 -0.012 0.000 0.763 77 L CB -1.325 40.728 42.059 -0.011 0.000 0.908 77 L HN -0.102 nan 8.230 nan 0.000 0.437 78 L N -1.404 119.742 121.223 -0.128 0.000 1.988 78 L HA -0.207 4.129 4.340 -0.006 0.000 0.207 78 L C 2.407 179.099 176.870 -0.297 0.000 1.071 78 L CA 1.378 56.050 54.840 -0.281 0.000 0.744 78 L CB -0.237 41.544 42.059 -0.464 0.000 0.893 78 L HN 0.251 nan 8.230 nan 0.000 0.433 79 L N -0.771 120.320 121.223 -0.220 0.000 2.127 79 L HA -0.235 4.101 4.340 -0.006 0.000 0.211 79 L C 2.441 179.319 176.870 0.014 0.000 1.089 79 L CA 1.595 56.388 54.840 -0.079 0.000 0.757 79 L CB -1.046 41.069 42.059 0.093 0.000 0.899 79 L HN 0.389 nan 8.230 nan 0.000 0.434 80 T N 0.040 114.594 114.554 0.000 0.000 2.668 80 T HA -0.150 4.196 4.350 -0.006 0.000 0.262 80 T C 1.916 176.655 174.700 0.064 0.000 1.045 80 T CA 1.730 63.847 62.100 0.027 0.000 1.152 80 T CB -0.424 68.445 68.868 0.002 0.000 0.864 80 T HN 0.357 nan 8.240 nan 0.000 0.419 81 V N 0.766 120.683 119.914 0.005 0.000 2.759 81 V HA 0.086 4.202 4.120 -0.006 0.000 0.256 81 V C 2.566 178.659 176.094 -0.001 0.000 1.080 81 V CA 1.252 63.556 62.300 0.006 0.000 1.101 81 V CB -1.538 30.273 31.823 -0.021 0.000 0.698 81 V HN 0.435 nan 8.190 nan 0.000 0.477 82 A N 0.231 123.031 122.820 -0.032 0.000 1.873 82 A HA -0.071 4.245 4.320 -0.006 0.000 0.215 82 A C 2.044 179.667 177.584 0.065 0.000 1.186 82 A CA 1.828 53.852 52.037 -0.021 0.000 0.616 82 A CB -0.824 18.128 19.000 -0.080 0.000 0.823 82 A HN 0.606 nan 8.150 nan 0.000 0.442 83 F N 0.643 120.587 119.950 -0.009 0.000 2.051 83 F HA -0.126 4.396 4.527 -0.007 0.000 0.296 83 F C 1.996 177.812 175.800 0.026 0.000 1.122 83 F CA 1.834 59.848 58.000 0.024 0.000 1.201 83 F CB -0.346 38.672 39.000 0.029 0.000 0.978 83 F HN 0.127 nan 8.300 nan 0.000 0.472 84 L N -0.827 120.599 121.223 0.339 0.000 2.083 84 L HA -0.302 4.034 4.340 -0.006 0.000 0.209 84 L C 2.607 179.531 176.870 0.090 0.000 1.083 84 L CA 1.251 56.232 54.840 0.235 0.000 0.752 84 L CB -1.092 41.067 42.059 0.166 0.000 0.899 84 L HN 0.312 nan 8.230 nan 0.000 0.433 85 C N -0.904 118.421 119.300 0.042 0.000 2.436 85 C HA -0.138 4.318 4.460 -0.006 0.000 0.277 85 C C 3.078 178.061 174.990 -0.013 0.000 1.241 85 C CA 1.217 60.236 59.018 0.002 0.000 1.721 85 C CB -0.734 26.992 27.740 -0.023 0.000 2.043 85 C HN 0.497 nan 8.230 nan 0.000 0.472 86 S N 0.832 116.504 115.700 -0.046 0.000 2.406 86 S HA 0.016 4.482 4.470 -0.006 0.000 0.228 86 S C 2.112 176.658 174.600 -0.089 0.000 1.020 86 S CA 0.999 59.157 58.200 -0.069 0.000 0.965 86 S CB -0.412 62.728 63.200 -0.100 0.000 0.798 86 S HN 0.684 nan 8.310 nan 0.000 0.488 87 A N 1.700 124.423 122.820 -0.161 0.000 1.841 87 A HA -0.076 4.240 4.320 -0.006 0.000 0.216 87 A C 2.337 179.953 177.584 0.054 0.000 1.199 87 A CA 1.776 53.753 52.037 -0.101 0.000 0.621 87 A CB -1.210 17.779 19.000 -0.019 0.000 0.835 87 A HN 0.307 nan 8.150 nan 0.000 0.445 88 V N -0.091 119.869 119.914 0.076 0.000 2.282 88 V HA -0.291 3.825 4.120 -0.006 0.000 0.249 88 V C 2.611 178.799 176.094 0.157 0.000 1.057 88 V CA 2.210 64.577 62.300 0.112 0.000 1.032 88 V CB -0.797 31.076 31.823 0.082 0.000 0.645 88 V HN 0.542 nan 8.190 nan 0.000 0.447 89 L N -0.382 120.906 121.223 0.109 0.000 2.141 89 L HA -0.112 4.224 4.340 -0.006 0.000 0.209 89 L C 2.588 179.585 176.870 0.213 0.000 1.094 89 L CA 1.380 56.298 54.840 0.130 0.000 0.763 89 L CB -0.629 41.457 42.059 0.045 0.000 0.908 89 L HN 0.347 nan 8.230 nan 0.000 0.437 90 A N -0.278 122.657 122.820 0.191 0.000 1.855 90 A HA -0.202 4.114 4.320 -0.006 0.000 0.215 90 A C 2.307 180.151 177.584 0.435 0.000 1.191 90 A CA 1.480 53.684 52.037 0.278 0.000 0.613 90 A CB -0.434 18.735 19.000 0.282 0.000 0.829 90 A HN 0.282 nan 8.150 nan 0.000 0.442 91 M N -1.844 117.964 119.600 0.346 0.000 2.073 91 M HA -0.184 4.293 4.480 -0.006 0.000 0.258 91 M C 2.197 178.710 176.300 0.355 0.000 1.070 91 M CA 2.145 57.636 55.300 0.319 0.000 1.103 91 M CB -0.687 32.030 32.600 0.195 0.000 1.321 91 M HN 0.502 nan 8.290 nan 0.000 0.405 92 F N 1.025 121.098 119.950 0.206 0.000 2.154 92 F HA -0.174 4.349 4.527 -0.007 0.000 0.301 92 F C 2.135 178.084 175.800 0.249 0.000 1.087 92 F CA 1.860 60.002 58.000 0.236 0.000 1.274 92 F CB -0.534 38.571 39.000 0.176 0.000 1.009 92 F HN 0.082 nan 8.300 nan 0.000 0.485 93 G N -1.568 107.425 108.800 0.321 0.000 2.395 93 G HA2 -0.243 3.713 3.960 -0.006 0.000 0.214 93 G HA3 -0.243 3.713 3.960 -0.006 0.000 0.214 93 G C 1.381 176.264 174.900 -0.028 0.000 1.177 93 G CA 0.681 45.857 45.100 0.126 0.000 0.794 93 G HN 0.440 nan 8.290 nan 0.000 0.532 94 Y N -0.227 120.090 120.300 0.028 0.000 2.165 94 Y HA -0.077 4.469 4.550 -0.007 0.000 0.286 94 Y C 2.373 178.190 175.900 -0.139 0.000 1.155 94 Y CA 1.465 59.508 58.100 -0.095 0.000 1.164 94 Y CB -0.424 38.010 38.460 -0.042 0.000 0.978 94 Y HN 0.249 nan 8.280 nan 0.000 0.513 95 F N 0.022 119.957 119.950 -0.025 0.000 2.031 95 F HA -0.273 4.250 4.527 -0.007 0.000 0.295 95 F C 2.088 177.780 175.800 -0.180 0.000 1.133 95 F CA 1.319 59.242 58.000 -0.130 0.000 1.188 95 F CB -0.488 38.433 39.000 -0.132 0.000 0.974 95 F HN -0.129 nan 8.300 nan 0.000 0.473 96 L N 0.203 121.156 121.223 -0.449 0.000 2.197 96 L HA -0.249 4.087 4.340 -0.006 0.000 0.215 96 L C 2.257 178.965 176.870 -0.270 0.000 1.095 96 L CA 1.332 55.928 54.840 -0.407 0.000 0.764 96 L CB -1.164 40.745 42.059 -0.249 0.000 0.897 96 L HN 0.237 nan 8.230 nan 0.000 0.436 97 V N -1.067 118.691 119.914 -0.261 0.000 2.300 97 V HA -0.116 4.000 4.120 -0.006 0.000 0.241 97 V C 2.585 178.488 176.094 -0.319 0.000 1.034 97 V CA 0.916 63.068 62.300 -0.248 0.000 1.021 97 V CB -0.391 31.280 31.823 -0.254 0.000 0.662 97 V HN 0.320 nan 8.190 nan 0.000 0.458 98 R N 0.520 120.789 120.500 -0.385 0.000 2.117 98 R HA -0.189 4.147 4.340 -0.006 0.000 0.243 98 R C 2.190 178.271 176.300 -0.365 0.000 1.143 98 R CA 1.687 57.552 56.100 -0.391 0.000 0.968 98 R CB -0.514 29.570 30.300 -0.359 0.000 0.863 98 R HN 0.425 nan 8.270 nan 0.000 0.444 99 K N -0.513 119.559 120.400 -0.547 0.000 2.067 99 K HA -0.042 4.274 4.320 -0.006 0.000 0.203 99 K C 1.340 177.501 176.600 -0.733 0.000 1.048 99 K CA 1.362 57.182 56.287 -0.779 0.000 0.954 99 K CB -0.036 31.611 32.500 -1.422 0.000 0.737 99 K HN 0.167 nan 8.250 nan 0.000 0.444 100 Y N -1.344 118.762 120.300 -0.324 0.000 2.430 100 Y HA 0.512 5.058 4.550 -0.007 0.000 0.248 100 Y C -0.249 175.539 175.900 -0.187 0.000 1.108 100 Y CA -0.182 57.782 58.100 -0.226 0.000 1.264 100 Y CB 1.348 39.671 38.460 -0.228 0.000 1.172 100 Y HN 0.078 nan 8.280 nan 0.000 0.520 101 A N 0.080 122.848 122.820 -0.087 0.000 2.664 101 A HA 0.386 4.702 4.320 -0.006 0.000 0.300 101 A C -2.624 174.876 177.584 -0.139 0.000 1.210 101 A CA -0.810 51.160 52.037 -0.110 0.000 0.863 101 A CB 0.296 19.229 19.000 -0.112 0.000 1.464 101 A HN -0.055 nan 8.150 nan 0.000 0.438 102 P HA -0.103 nan 4.420 nan 0.000 0.229 102 P C 1.180 178.414 177.300 -0.110 0.000 1.160 102 P CA 1.349 64.359 63.100 -0.151 0.000 0.777 102 P CB 0.206 31.836 31.700 -0.117 0.000 0.814 103 E N 0.060 120.204 120.200 -0.093 0.000 2.274 103 E HA -0.028 4.318 4.350 -0.006 0.000 0.194 103 E C 1.443 177.999 176.600 -0.073 0.000 0.996 103 E CA 0.852 57.209 56.400 -0.073 0.000 0.840 103 E CB -0.694 28.960 29.700 -0.076 0.000 0.772 103 E HN 0.105 nan 8.360 nan 0.000 0.491 104 A N 1.497 124.262 122.820 -0.092 0.000 2.415 104 A HA 0.373 4.689 4.320 -0.006 0.000 0.248 104 A C 0.998 178.530 177.584 -0.086 0.000 1.299 104 A CA 0.073 52.062 52.037 -0.081 0.000 0.899 104 A CB -0.102 18.850 19.000 -0.080 0.000 0.997 104 A HN 0.267 nan 8.150 nan 0.000 0.506 105 G N -1.784 106.955 108.800 -0.102 0.000 2.580 105 G HA2 0.528 4.484 3.960 -0.006 0.000 0.278 105 G HA3 0.528 4.484 3.960 -0.006 0.000 0.278 105 G C 0.895 175.754 174.900 -0.067 0.000 1.212 105 G CA 0.151 45.183 45.100 -0.114 0.000 0.939 105 G HN 1.378 nan 8.290 nan 0.000 0.513 106 G N -0.312 108.441 108.800 -0.078 0.000 2.596 106 G HA2 -0.289 3.667 3.960 -0.006 0.000 0.295 106 G HA3 -0.289 3.667 3.960 -0.006 0.000 0.295 106 G C 1.566 176.513 174.900 0.080 0.000 1.240 106 G CA 1.289 46.315 45.100 -0.124 0.000 0.985 106 G HN 1.563 nan 8.290 nan 0.000 0.555 107 S N -0.489 115.353 115.700 0.237 0.000 2.331 107 S HA 0.319 4.785 4.470 -0.006 0.000 0.208 107 S C 2.271 176.962 174.600 0.152 0.000 1.032 107 S CA 3.109 61.546 58.200 0.395 0.000 0.991 107 S CB -0.635 62.963 63.200 0.664 0.000 0.980 107 S HN 2.765 nan 8.310 nan 0.000 0.433 108 G N -0.351 108.509 108.800 0.101 0.000 2.380 108 G HA2 -0.171 3.785 3.960 -0.006 0.000 0.197 108 G HA3 -0.171 3.785 3.960 -0.006 0.000 0.197 108 G C 0.714 175.591 174.900 -0.039 0.000 1.001 108 G CA 0.297 45.402 45.100 0.008 0.000 0.668 108 G HN 0.463 nan 8.290 nan 0.000 0.483 109 I N 2.333 122.852 120.570 -0.085 0.000 2.286 109 I HA 0.053 4.219 4.170 -0.006 0.000 0.248 109 I C 0.239 176.213 176.117 -0.237 0.000 1.115 109 I CA 1.546 62.685 61.300 -0.268 0.000 1.392 109 I CB -1.363 36.253 38.000 -0.640 0.000 1.065 109 I HN 0.188 nan 8.210 nan 0.000 0.418 110 P HA -0.182 nan 4.420 nan 0.000 0.214 110 P C 1.734 179.040 177.300 0.009 0.000 1.163 110 P CA 1.357 64.485 63.100 0.047 0.000 0.883 110 P CB 0.104 31.905 31.700 0.168 0.000 0.788 111 E N -0.418 119.784 120.200 0.004 0.000 2.070 111 E HA -0.185 4.161 4.350 -0.006 0.000 0.197 111 E C 1.818 178.405 176.600 -0.023 0.000 1.004 111 E CA 1.295 57.690 56.400 -0.007 0.000 0.805 111 E CB -1.003 28.686 29.700 -0.017 0.000 0.744 111 E HN 0.159 nan 8.360 nan 0.000 0.451 112 I N 0.404 120.945 120.570 -0.047 0.000 2.394 112 I HA -0.205 3.961 4.170 -0.006 0.000 0.251 112 I C 2.239 178.321 176.117 -0.059 0.000 1.136 112 I CA 1.074 62.342 61.300 -0.052 0.000 1.425 112 I CB -0.246 37.712 38.000 -0.071 0.000 1.079 112 I HN 0.112 nan 8.210 nan 0.000 0.425 113 E N 0.918 121.071 120.200 -0.078 0.000 2.077 113 E HA -0.175 4.171 4.350 -0.006 0.000 0.193 113 E C 2.413 178.998 176.600 -0.024 0.000 0.989 113 E CA 1.220 57.576 56.400 -0.074 0.000 0.800 113 E CB -0.345 29.312 29.700 -0.072 0.000 0.746 113 E HN 0.593 nan 8.360 nan 0.000 0.452 114 G N 0.939 109.740 108.800 0.001 0.000 2.446 114 G HA2 -0.295 3.661 3.960 -0.006 0.000 0.217 114 G HA3 -0.295 3.661 3.960 -0.006 0.000 0.217 114 G C 1.663 176.578 174.900 0.026 0.000 1.168 114 G CA 0.928 46.042 45.100 0.023 0.000 0.771 114 G HN 0.369 nan 8.290 nan 0.000 0.551 115 A N 0.319 123.150 122.820 0.019 0.000 1.978 115 A HA 0.066 4.382 4.320 -0.006 0.000 0.220 115 A C 2.394 180.021 177.584 0.071 0.000 1.170 115 A CA 1.331 53.391 52.037 0.039 0.000 0.636 115 A CB -0.340 18.675 19.000 0.025 0.000 0.810 115 A HN 0.372 nan 8.150 nan 0.000 0.448 116 L N -0.771 120.476 121.223 0.039 0.000 2.217 116 L HA -0.057 4.279 4.340 -0.006 0.000 0.211 116 L C 1.920 178.779 176.870 -0.018 0.000 1.107 116 L CA 0.825 55.685 54.840 0.033 0.000 0.783 116 L CB -0.165 41.852 42.059 -0.071 0.000 0.919 116 L HN 0.293 nan 8.230 nan 0.000 0.442 117 E N -0.379 119.826 120.200 0.008 0.000 2.476 117 E HA -0.093 4.253 4.350 -0.006 0.000 0.191 117 E C -0.127 176.518 176.600 0.076 0.000 1.064 117 E CA 0.156 56.571 56.400 0.025 0.000 0.866 117 E CB 0.068 29.793 29.700 0.042 0.000 0.952 117 E HN 0.337 nan 8.360 nan 0.000 0.492 118 D N 0.382 120.847 120.400 0.109 0.000 3.059 118 D HA -0.194 4.442 4.640 -0.006 0.000 0.220 118 D C 0.790 177.132 176.300 0.070 0.000 1.169 118 D CA 0.655 54.717 54.000 0.104 0.000 0.902 118 D CB -0.497 40.374 40.800 0.119 0.000 1.116 118 D HN 0.274 nan 8.370 nan 0.000 0.417 119 Q N -0.609 119.226 119.800 0.058 0.000 2.392 119 Q HA 0.097 4.433 4.340 -0.006 0.000 0.203 119 Q C 0.680 176.704 176.000 0.040 0.000 0.917 119 Q CA 0.623 56.454 55.803 0.047 0.000 0.939 119 Q CB 0.777 29.542 28.738 0.045 0.000 1.063 119 Q HN 0.302 nan 8.270 nan 0.000 0.516 120 R N 0.583 121.107 120.500 0.040 0.000 2.771 120 R HA 0.514 4.850 4.340 -0.006 0.000 0.274 120 R C -2.598 173.721 176.300 0.031 0.000 0.987 120 R CA -1.973 54.144 56.100 0.028 0.000 0.908 120 R CB 1.079 31.390 30.300 0.018 0.000 1.213 120 R HN -0.094 nan 8.270 nan 0.000 0.468 121 P HA 0.292 nan 4.420 nan 0.000 0.286 121 P C -0.404 176.886 177.300 -0.017 0.000 1.261 121 P CA -0.557 62.558 63.100 0.025 0.000 0.821 121 P CB 1.053 32.771 31.700 0.029 0.000 1.013 122 V N 3.177 123.092 119.914 0.002 0.000 2.180 122 V HA 0.280 4.396 4.120 -0.006 0.000 0.265 122 V C 0.929 176.910 176.094 -0.189 0.000 1.214 122 V CA -0.480 61.802 62.300 -0.029 0.000 1.130 122 V CB -0.692 31.172 31.823 0.069 0.000 1.266 122 V HN 0.410 nan 8.190 nan 0.000 0.473 123 R N 3.674 123.874 120.500 -0.500 0.000 3.247 123 R HA 0.070 4.406 4.340 -0.006 0.000 0.212 123 R C 1.359 176.828 176.300 -1.385 0.000 1.604 123 R CA -0.218 55.015 56.100 -1.444 0.000 1.279 123 R CB 0.095 29.718 30.300 -1.127 0.000 1.277 123 R HN 0.932 nan 8.270 nan 0.000 0.669 124 W N 1.832 122.616 121.300 -0.859 0.000 2.358 124 W HA -0.219 4.437 4.660 -0.007 0.000 0.303 124 W C 0.891 177.259 176.519 -0.252 0.000 1.208 124 W CA 0.601 57.735 57.345 -0.352 0.000 1.274 124 W CB -1.065 28.352 29.460 -0.072 0.000 1.138 124 W HN 0.528 nan 8.180 nan 0.000 0.515 125 W N 1.911 122.769 121.300 -0.737 0.000 2.359 125 W HA -0.066 4.590 4.660 -0.006 0.000 0.275 125 W C 2.078 178.468 176.519 -0.215 0.000 1.217 125 W CA 1.662 58.650 57.345 -0.595 0.000 1.196 125 W CB -1.234 27.689 29.460 -0.896 0.000 1.129 125 W HN -0.192 nan 8.180 nan 0.000 0.566 126 R N 0.441 120.545 120.500 -0.660 0.000 2.056 126 R HA 0.045 4.381 4.340 -0.006 0.000 0.215 126 R C 2.314 178.493 176.300 -0.201 0.000 1.205 126 R CA 1.074 56.955 56.100 -0.365 0.000 1.020 126 R CB -0.901 29.116 30.300 -0.471 0.000 0.911 126 R HN 0.118 nan 8.270 nan 0.000 0.451 127 V N 2.533 122.300 119.914 -0.245 0.000 2.255 127 V HA -0.270 3.846 4.120 -0.006 0.000 0.247 127 V C 2.522 178.612 176.094 -0.006 0.000 1.051 127 V CA 1.780 64.010 62.300 -0.116 0.000 1.018 127 V CB -0.633 31.111 31.823 -0.132 0.000 0.641 127 V HN 0.275 nan 8.190 nan 0.000 0.445 128 L N 0.464 121.707 121.223 0.034 0.000 1.987 128 L HA -0.220 4.116 4.340 -0.006 0.000 0.230 128 L C 0.331 177.296 176.870 0.158 0.000 1.089 128 L CA 2.620 57.514 54.840 0.090 0.000 0.802 128 L CB -2.213 39.923 42.059 0.128 0.000 0.905 128 L HN 0.385 nan 8.230 nan 0.000 0.441 129 P HA -0.073 nan 4.420 nan 0.000 0.221 129 P C 1.866 179.430 177.300 0.440 0.000 1.150 129 P CA 1.112 64.451 63.100 0.398 0.000 0.800 129 P CB 0.117 31.949 31.700 0.220 0.000 0.787 130 V N 0.673 120.701 119.914 0.191 0.000 2.283 130 V HA -0.184 3.932 4.120 -0.006 0.000 0.243 130 V C 2.793 178.979 176.094 0.154 0.000 1.039 130 V CA 2.047 64.424 62.300 0.128 0.000 1.016 130 V CB -1.008 30.822 31.823 0.012 0.000 0.650 130 V HN 0.059 nan 8.190 nan 0.000 0.449 131 K N -0.096 120.371 120.400 0.112 0.000 2.002 131 K HA -0.176 4.140 4.320 -0.006 0.000 0.209 131 K C 1.944 178.630 176.600 0.142 0.000 1.048 131 K CA 1.816 58.145 56.287 0.069 0.000 0.930 131 K CB -0.652 31.848 32.500 0.000 0.000 0.714 131 K HN 0.319 nan 8.250 nan 0.000 0.438 132 F N 0.016 119.989 119.950 0.040 0.000 2.015 132 F HA -0.268 4.256 4.527 -0.006 0.000 0.297 132 F C 1.713 177.575 175.800 0.103 0.000 1.141 132 F CA 2.055 60.079 58.000 0.040 0.000 1.192 132 F CB -0.460 38.478 39.000 -0.104 0.000 0.957 132 F HN 0.046 nan 8.300 nan 0.000 0.491 133 F N 0.375 120.521 119.950 0.327 0.000 2.293 133 F HA 0.015 4.538 4.527 -0.006 0.000 0.300 133 F C 2.531 178.477 175.800 0.245 0.000 1.086 133 F CA 1.083 59.236 58.000 0.256 0.000 1.375 133 F CB -1.273 37.955 39.000 0.379 0.000 1.045 133 F HN 0.107 nan 8.300 nan 0.000 0.516 134 G N -0.196 108.807 108.800 0.337 0.000 2.394 134 G HA2 -0.093 3.863 3.960 -0.006 0.000 0.214 134 G HA3 -0.093 3.863 3.960 -0.006 0.000 0.214 134 G C 2.052 177.045 174.900 0.155 0.000 1.176 134 G CA 0.706 45.928 45.100 0.203 0.000 0.786 134 G HN 0.453 nan 8.290 nan 0.000 0.533 135 G N 0.966 109.870 108.800 0.172 0.000 2.446 135 G HA2 -0.187 3.769 3.960 -0.006 0.000 0.217 135 G HA3 -0.187 3.769 3.960 -0.006 0.000 0.217 135 G C 1.786 176.788 174.900 0.169 0.000 1.168 135 G CA 0.931 46.183 45.100 0.255 0.000 0.771 135 G HN 0.347 nan 8.290 nan 0.000 0.551 136 L N 1.195 122.437 121.223 0.030 0.000 2.103 136 L HA -0.113 4.223 4.340 -0.006 0.000 0.215 136 L C 2.890 179.716 176.870 -0.074 0.000 1.080 136 L CA 2.303 56.994 54.840 -0.248 0.000 0.764 136 L CB -0.497 41.395 42.059 -0.278 0.000 0.890 136 L HN 0.265 nan 8.230 nan 0.000 0.435 137 G N -2.642 106.203 108.800 0.076 0.000 2.395 137 G HA2 -0.188 3.768 3.960 -0.006 0.000 0.214 137 G HA3 -0.188 3.768 3.960 -0.006 0.000 0.214 137 G C 1.508 176.453 174.900 0.075 0.000 1.177 137 G CA 0.928 46.099 45.100 0.118 0.000 0.794 137 G HN 0.468 nan 8.290 nan 0.000 0.532 138 T N 0.186 114.776 114.554 0.059 0.000 2.737 138 T HA 0.052 4.398 4.350 -0.006 0.000 0.265 138 T C 2.283 177.005 174.700 0.036 0.000 1.038 138 T CA 0.652 62.771 62.100 0.031 0.000 1.144 138 T CB -0.224 68.624 68.868 -0.033 0.000 0.866 138 T HN -0.020 nan 8.240 nan 0.000 0.434 139 L N 1.679 122.922 121.223 0.034 0.000 2.044 139 L HA 0.167 4.503 4.340 -0.006 0.000 0.205 139 L C 3.071 179.921 176.870 -0.033 0.000 1.075 139 L CA 2.166 57.014 54.840 0.014 0.000 0.747 139 L CB -1.869 40.206 42.059 0.027 0.000 0.903 139 L HN 0.513 nan 8.230 nan 0.000 0.435 140 G N -0.874 107.880 108.800 -0.076 0.000 2.535 140 G HA2 -0.165 3.791 3.960 -0.006 0.000 0.218 140 G HA3 -0.165 3.791 3.960 -0.006 0.000 0.218 140 G C 1.425 176.302 174.900 -0.039 0.000 1.122 140 G CA 0.722 45.778 45.100 -0.074 0.000 0.769 140 G HN 0.522 nan 8.290 nan 0.000 0.549 141 G N -0.644 108.148 108.800 -0.013 0.000 2.880 141 G HA2 0.370 4.327 3.960 -0.006 0.000 0.209 141 G HA3 0.370 4.327 3.960 -0.006 0.000 0.209 141 G C 1.184 176.083 174.900 -0.001 0.000 1.157 141 G CA 0.416 45.513 45.100 -0.006 0.000 0.779 141 G HN 1.328 nan 8.290 nan 0.000 0.539 142 G N -0.207 108.596 108.800 0.004 0.000 2.149 142 G HA2 -0.275 3.681 3.960 -0.006 0.000 0.235 142 G HA3 -0.275 3.681 3.960 -0.006 0.000 0.235 142 G C 0.371 175.287 174.900 0.027 0.000 1.018 142 G CA 0.221 45.330 45.100 0.016 0.000 0.728 142 G HN 0.402 nan 8.290 nan 0.000 0.508 143 M N -0.071 119.550 119.600 0.036 0.000 2.240 143 M HA 0.296 4.772 4.480 -0.006 0.000 0.333 143 M C 1.243 177.575 176.300 0.053 0.000 1.110 143 M CA -0.144 55.190 55.300 0.056 0.000 1.173 143 M CB 1.120 33.768 32.600 0.080 0.000 1.458 143 M HN -0.052 nan 8.290 nan 0.000 0.458 144 V N 4.842 124.794 119.914 0.063 0.000 1.956 144 V HA 0.132 4.248 4.120 -0.006 0.000 0.248 144 V C -0.150 175.979 176.094 0.058 0.000 1.615 144 V CA 0.324 62.649 62.300 0.042 0.000 1.558 144 V CB -1.802 30.044 31.823 0.038 0.000 1.529 144 V HN 0.539 nan 8.190 nan 0.000 0.505 145 L N 0.930 122.185 121.223 0.053 0.000 2.371 145 L HA 0.831 5.167 4.340 -0.006 0.000 0.262 145 L C 0.881 177.772 176.870 0.036 0.000 1.006 145 L CA -0.476 54.410 54.840 0.077 0.000 0.818 145 L CB 1.881 44.020 42.059 0.132 0.000 1.354 145 L HN 0.415 nan 8.230 nan 0.000 0.415 146 G N 0.040 108.865 108.800 0.042 0.000 2.508 146 G HA2 0.402 4.358 3.960 -0.006 0.000 0.278 146 G HA3 0.402 4.358 3.960 -0.006 0.000 0.278 146 G C 0.327 175.269 174.900 0.069 0.000 1.389 146 G CA -0.309 44.807 45.100 0.027 0.000 1.050 146 G HN 0.687 nan 8.290 nan 0.000 0.522 147 R N -1.093 119.435 120.500 0.046 0.000 2.307 147 R HA 0.148 4.484 4.340 -0.006 0.000 0.200 147 R C 2.220 178.403 176.300 -0.196 0.000 0.893 147 R CA 0.354 56.471 56.100 0.027 0.000 1.042 147 R CB 0.330 30.710 30.300 0.134 0.000 1.059 147 R HN 0.526 nan 8.270 nan 0.000 0.530 148 E N 0.530 120.582 120.200 -0.247 0.000 2.038 148 E HA -0.130 4.216 4.350 -0.006 0.000 0.195 148 E C 1.968 178.416 176.600 -0.253 0.000 1.000 148 E CA 1.542 57.705 56.400 -0.395 0.000 0.803 148 E CB -0.856 28.562 29.700 -0.470 0.000 0.750 148 E HN 0.340 nan 8.360 nan 0.000 0.448 149 G N 1.927 110.669 108.800 -0.095 0.000 2.672 149 G HA2 -0.271 3.686 3.960 -0.006 0.000 0.218 149 G HA3 -0.271 3.686 3.960 -0.006 0.000 0.218 149 G C -0.793 174.026 174.900 -0.135 0.000 1.238 149 G CA 1.459 46.541 45.100 -0.029 0.000 0.791 149 G HN 0.290 nan 8.290 nan 0.000 0.606 150 P HA -0.173 nan 4.420 nan 0.000 0.214 150 P C 2.451 179.512 177.300 -0.398 0.000 1.169 150 P CA 2.978 65.847 63.100 -0.384 0.000 0.908 150 P CB -0.539 30.698 31.700 -0.771 0.000 0.791 151 T N -3.299 110.990 114.554 -0.441 0.000 2.867 151 T HA -0.089 4.257 4.350 -0.006 0.000 0.268 151 T C 1.811 176.366 174.700 -0.241 0.000 1.057 151 T CA 1.275 63.174 62.100 -0.334 0.000 1.136 151 T CB -1.423 67.257 68.868 -0.314 0.000 0.874 151 T HN -0.144 nan 8.240 nan 0.000 0.466 152 V N 1.408 121.180 119.914 -0.237 0.000 2.307 152 V HA -0.152 3.964 4.120 -0.006 0.000 0.245 152 V C 2.995 179.012 176.094 -0.128 0.000 1.045 152 V CA 1.992 64.186 62.300 -0.177 0.000 1.024 152 V CB -0.836 30.885 31.823 -0.170 0.000 0.651 152 V HN 0.524 nan 8.190 nan 0.000 0.449 153 Q N -0.383 119.342 119.800 -0.124 0.000 1.993 153 Q HA -0.191 4.146 4.340 -0.006 0.000 0.202 153 Q C 2.332 178.281 176.000 -0.086 0.000 0.984 153 Q CA 2.125 57.872 55.803 -0.093 0.000 0.837 153 Q CB -0.226 28.463 28.738 -0.081 0.000 0.902 153 Q HN 0.595 nan 8.270 nan 0.000 0.423 154 I N 0.340 120.848 120.570 -0.103 0.000 2.236 154 I HA -0.313 3.853 4.170 -0.006 0.000 0.249 154 I C 2.260 178.328 176.117 -0.081 0.000 1.102 154 I CA 1.315 62.567 61.300 -0.081 0.000 1.365 154 I CB -0.639 37.304 38.000 -0.094 0.000 1.051 154 I HN 0.378 nan 8.210 nan 0.000 0.420 155 G N 0.286 109.024 108.800 -0.103 0.000 2.421 155 G HA2 -0.198 3.759 3.960 -0.006 0.000 0.216 155 G HA3 -0.198 3.759 3.960 -0.006 0.000 0.216 155 G C 1.698 176.551 174.900 -0.078 0.000 1.171 155 G CA 0.865 45.906 45.100 -0.097 0.000 0.775 155 G HN 0.503 nan 8.290 nan 0.000 0.543 156 G N 1.130 109.889 108.800 -0.068 0.000 2.459 156 G HA2 -0.262 3.694 3.960 -0.006 0.000 0.217 156 G HA3 -0.262 3.694 3.960 -0.006 0.000 0.217 156 G C 1.734 176.615 174.900 -0.032 0.000 1.183 156 G CA 1.258 46.330 45.100 -0.048 0.000 0.776 156 G HN 0.458 nan 8.290 nan 0.000 0.552 157 N N 0.647 119.335 118.700 -0.019 0.000 2.094 157 N HA -0.090 4.646 4.740 -0.006 0.000 0.191 157 N C 2.112 177.593 175.510 -0.047 0.000 1.023 157 N CA 1.016 54.081 53.050 0.026 0.000 0.857 157 N CB -0.299 38.224 38.487 0.061 0.000 1.013 157 N HN 0.386 nan 8.380 nan 0.000 0.426 158 I N 0.077 120.598 120.570 -0.081 0.000 2.264 158 I HA -0.208 3.958 4.170 -0.006 0.000 0.248 158 I C 2.278 178.303 176.117 -0.154 0.000 1.111 158 I CA 1.367 62.583 61.300 -0.140 0.000 1.382 158 I CB -0.538 37.395 38.000 -0.111 0.000 1.060 158 I HN 0.246 nan 8.210 nan 0.000 0.418 159 G N 0.137 108.876 108.800 -0.103 0.000 2.421 159 G HA2 -0.254 3.702 3.960 -0.006 0.000 0.217 159 G HA3 -0.254 3.702 3.960 -0.006 0.000 0.217 159 G C 1.714 176.570 174.900 -0.075 0.000 1.143 159 G CA 0.468 45.519 45.100 -0.082 0.000 0.784 159 G HN 0.195 nan 8.290 nan 0.000 0.541 160 R N 0.074 120.533 120.500 -0.068 0.000 2.062 160 R HA 0.153 4.489 4.340 -0.006 0.000 0.229 160 R C 2.441 178.632 176.300 -0.182 0.000 1.128 160 R CA 1.433 57.523 56.100 -0.018 0.000 0.960 160 R CB -0.615 29.757 30.300 0.120 0.000 0.855 160 R HN 0.338 nan 8.270 nan 0.000 0.432 161 M N 0.241 119.502 119.600 -0.565 0.000 2.082 161 M HA -0.165 4.312 4.480 -0.006 0.000 0.258 161 M C 1.857 177.853 176.300 -0.507 0.000 1.069 161 M CA 2.417 57.009 55.300 -1.180 0.000 1.102 161 M CB -0.107 31.743 32.600 -1.251 0.000 1.336 161 M HN 0.195 nan 8.290 nan 0.000 0.404 162 V N -1.191 118.592 119.914 -0.219 0.000 2.871 162 V HA -0.130 3.986 4.120 -0.006 0.000 0.256 162 V C 2.036 178.230 176.094 0.167 0.000 1.082 162 V CA 1.128 63.475 62.300 0.077 0.000 1.105 162 V CB -0.976 30.889 31.823 0.069 0.000 0.713 162 V HN 0.554 nan 8.190 nan 0.000 0.473 163 L N 1.289 122.537 121.223 0.041 0.000 2.056 163 L HA 0.003 4.339 4.340 -0.006 0.000 0.207 163 L C 2.132 179.066 176.870 0.107 0.000 1.078 163 L CA 2.349 57.233 54.840 0.073 0.000 0.749 163 L CB -0.689 41.395 42.059 0.041 0.000 0.901 163 L HN 0.285 nan 8.230 nan 0.000 0.433 164 D N -0.155 120.303 120.400 0.096 0.000 2.085 164 D HA -0.132 4.505 4.640 -0.006 0.000 0.199 164 D C 2.314 178.660 176.300 0.078 0.000 0.981 164 D CA 1.808 55.893 54.000 0.141 0.000 0.834 164 D CB -0.340 40.650 40.800 0.316 0.000 0.992 164 D HN 0.367 nan 8.370 nan 0.000 0.457 165 I N -0.160 120.407 120.570 -0.005 0.000 2.381 165 I HA -0.276 3.890 4.170 -0.006 0.000 0.255 165 I C 1.305 177.227 176.117 -0.325 0.000 1.140 165 I CA 1.130 62.326 61.300 -0.173 0.000 1.404 165 I CB -0.115 37.704 38.000 -0.302 0.000 1.075 165 I HN -0.073 nan 8.210 nan 0.000 0.433 166 F N -0.243 119.700 119.950 -0.012 0.000 2.678 166 F HA 0.277 4.800 4.527 -0.007 0.000 0.305 166 F C 0.809 176.612 175.800 0.004 0.000 1.090 166 F CA -0.350 57.649 58.000 -0.002 0.000 1.272 166 F CB 0.250 39.251 39.000 0.002 0.000 1.060 166 F HN -0.185 nan 8.300 nan 0.000 0.576 167 R N 1.151 121.731 120.500 0.133 0.000 3.405 167 R HA -0.194 4.142 4.340 -0.006 0.000 0.258 167 R C -0.680 175.671 176.300 0.086 0.000 1.030 167 R CA 0.246 56.398 56.100 0.088 0.000 0.691 167 R CB -2.484 27.848 30.300 0.052 0.000 1.093 167 R HN 0.331 nan 8.270 nan 0.000 0.448 168 L N 0.850 122.132 121.223 0.098 0.000 2.410 168 L HA 0.170 4.506 4.340 -0.006 0.000 0.273 168 L C 1.111 178.003 176.870 0.036 0.000 1.144 168 L CA 0.552 55.430 54.840 0.063 0.000 0.863 168 L CB 0.584 42.675 42.059 0.054 0.000 1.140 168 L HN 0.019 nan 8.230 nan 0.000 0.463 169 K N 2.469 122.883 120.400 0.024 0.000 2.123 169 K HA 0.762 5.078 4.320 -0.006 0.000 0.259 169 K C -0.183 176.416 176.600 -0.001 0.000 0.960 169 K CA -0.051 56.243 56.287 0.012 0.000 0.872 169 K CB 1.560 34.069 32.500 0.014 0.000 1.079 169 K HN 0.723 nan 8.250 nan 0.000 0.440 170 G N 2.459 111.251 108.800 -0.014 0.000 2.576 170 G HA2 -0.138 3.818 3.960 -0.006 0.000 0.686 170 G HA3 -0.138 3.818 3.960 -0.006 0.000 0.686 170 G C -0.294 174.567 174.900 -0.065 0.000 1.242 170 G CA -0.576 44.510 45.100 -0.023 0.000 0.819 170 G HN 0.672 nan 8.290 nan 0.000 0.655 171 D N -0.190 120.166 120.400 -0.073 0.000 2.117 171 D HA -0.062 4.575 4.640 -0.006 0.000 0.197 171 D C 2.058 178.259 176.300 -0.165 0.000 0.987 171 D CA 1.526 55.422 54.000 -0.173 0.000 0.829 171 D CB -0.004 40.770 40.800 -0.044 0.000 0.961 171 D HN 0.657 nan 8.370 nan 0.000 0.460 172 E N 0.303 120.484 120.200 -0.032 0.000 2.021 172 E HA -0.236 4.110 4.350 -0.006 0.000 0.200 172 E C 1.982 178.572 176.600 -0.018 0.000 1.015 172 E CA 1.351 57.754 56.400 0.006 0.000 0.824 172 E CB -0.073 29.637 29.700 0.017 0.000 0.762 172 E HN 0.183 nan 8.360 nan 0.000 0.454 173 A N 0.948 123.750 122.820 -0.030 0.000 1.978 173 A HA -0.214 4.103 4.320 -0.006 0.000 0.220 173 A C 2.124 179.681 177.584 -0.045 0.000 1.170 173 A CA 1.654 53.675 52.037 -0.026 0.000 0.636 173 A CB -0.493 18.499 19.000 -0.014 0.000 0.810 173 A HN 0.201 nan 8.150 nan 0.000 0.448 174 R N -1.551 118.883 120.500 -0.111 0.000 2.075 174 R HA -0.067 4.269 4.340 -0.006 0.000 0.226 174 R C 1.954 178.187 176.300 -0.111 0.000 1.114 174 R CA 1.475 57.491 56.100 -0.141 0.000 0.972 174 R CB -0.268 29.895 30.300 -0.227 0.000 0.869 174 R HN 0.768 nan 8.270 nan 0.000 0.437 175 H N -1.345 117.715 119.070 -0.016 0.000 2.343 175 H HA 0.038 4.590 4.556 -0.006 0.000 0.303 175 H C 1.952 177.255 175.328 -0.042 0.000 1.068 175 H CA 1.510 57.537 56.048 -0.035 0.000 1.359 175 H CB 0.112 29.842 29.762 -0.053 0.000 1.402 175 H HN 0.118 nan 8.280 nan 0.000 0.515 176 T N 1.354 115.956 114.554 0.080 0.000 2.595 176 T HA -0.146 4.200 4.350 -0.006 0.000 0.264 176 T C 2.047 176.750 174.700 0.006 0.000 1.058 176 T CA 1.209 63.325 62.100 0.027 0.000 1.166 176 T CB -0.386 68.490 68.868 0.014 0.000 0.863 176 T HN 0.190 nan 8.240 nan 0.000 0.415 177 L N 0.426 121.646 121.223 -0.005 0.000 2.353 177 L HA -0.026 4.310 4.340 -0.006 0.000 0.220 177 L C 2.371 179.229 176.870 -0.021 0.000 1.133 177 L CA 0.605 55.432 54.840 -0.022 0.000 0.798 177 L CB -0.514 41.529 42.059 -0.028 0.000 0.922 177 L HN 0.221 nan 8.230 nan 0.000 0.445 178 L N -0.301 120.921 121.223 -0.001 0.000 2.162 178 L HA -0.002 4.334 4.340 -0.006 0.000 0.205 178 L C 2.610 179.469 176.870 -0.018 0.000 1.086 178 L CA 1.402 56.242 54.840 -0.001 0.000 0.778 178 L CB -0.269 41.809 42.059 0.032 0.000 0.928 178 L HN 0.109 nan 8.230 nan 0.000 0.446 179 A N -1.088 121.722 122.820 -0.015 0.000 1.854 179 A HA -0.182 4.134 4.320 -0.006 0.000 0.214 179 A C 2.394 179.951 177.584 -0.044 0.000 1.192 179 A CA 1.955 53.967 52.037 -0.040 0.000 0.611 179 A CB -1.318 17.657 19.000 -0.042 0.000 0.832 179 A HN 0.525 nan 8.150 nan 0.000 0.442 180 T N -2.001 112.532 114.554 -0.036 0.000 2.833 180 T HA -0.015 4.331 4.350 -0.006 0.000 0.269 180 T C 1.880 176.544 174.700 -0.059 0.000 1.054 180 T CA 1.927 64.001 62.100 -0.043 0.000 1.135 180 T CB -0.893 67.953 68.868 -0.036 0.000 0.869 180 T HN 0.429 nan 8.240 nan 0.000 0.466 181 G N 1.155 109.920 108.800 -0.059 0.000 2.446 181 G HA2 0.007 3.963 3.960 -0.006 0.000 0.217 181 G HA3 0.007 3.963 3.960 -0.006 0.000 0.217 181 G C 1.966 176.820 174.900 -0.077 0.000 1.168 181 G CA 0.973 46.031 45.100 -0.071 0.000 0.771 181 G HN 0.792 nan 8.290 nan 0.000 0.551 182 A N 0.928 123.708 122.820 -0.067 0.000 1.930 182 A HA 0.348 4.665 4.320 -0.006 0.000 0.217 182 A C 2.783 180.335 177.584 -0.054 0.000 1.175 182 A CA 2.134 54.134 52.037 -0.062 0.000 0.627 182 A CB -0.657 18.313 19.000 -0.051 0.000 0.815 182 A HN 0.726 nan 8.150 nan 0.000 0.443 183 A N -0.026 122.764 122.820 -0.050 0.000 1.855 183 A HA 0.227 4.543 4.320 -0.006 0.000 0.215 183 A C 2.491 180.013 177.584 -0.103 0.000 1.191 183 A CA 1.885 53.890 52.037 -0.053 0.000 0.613 183 A CB -1.134 17.831 19.000 -0.059 0.000 0.829 183 A HN 1.096 nan 8.150 nan 0.000 0.442 184 A N -0.487 122.270 122.820 -0.104 0.000 2.076 184 A HA 0.126 4.442 4.320 -0.006 0.000 0.220 184 A C 2.247 179.748 177.584 -0.138 0.000 1.160 184 A CA 1.857 53.826 52.037 -0.114 0.000 0.653 184 A CB -1.193 17.751 19.000 -0.094 0.000 0.801 184 A HN 0.690 nan 8.150 nan 0.000 0.455 185 G N -0.138 108.574 108.800 -0.147 0.000 2.434 185 G HA2 -0.111 3.845 3.960 -0.006 0.000 0.214 185 G HA3 -0.111 3.845 3.960 -0.006 0.000 0.214 185 G C 1.464 176.195 174.900 -0.280 0.000 1.202 185 G CA 1.068 46.054 45.100 -0.190 0.000 0.788 185 G HN 0.471 nan 8.290 nan 0.000 0.539 186 L N 1.266 122.309 121.223 -0.300 0.000 2.083 186 L HA 0.174 4.510 4.340 -0.006 0.000 0.209 186 L C 3.107 179.736 176.870 -0.402 0.000 1.083 186 L CA 2.030 56.596 54.840 -0.457 0.000 0.752 186 L CB -0.537 41.259 42.059 -0.437 0.000 0.899 186 L HN 0.248 nan 8.230 nan 0.000 0.433 187 A N -0.387 122.277 122.820 -0.259 0.000 1.883 187 A HA -0.134 4.182 4.320 -0.006 0.000 0.217 187 A C 2.319 179.744 177.584 -0.264 0.000 1.186 187 A CA 1.725 53.635 52.037 -0.211 0.000 0.624 187 A CB -1.199 17.702 19.000 -0.165 0.000 0.822 187 A HN 0.520 nan 8.150 nan 0.000 0.444 188 A N -1.026 121.643 122.820 -0.251 0.000 2.239 188 A HA 0.418 4.734 4.320 -0.006 0.000 0.209 188 A C 2.029 179.383 177.584 -0.384 0.000 1.171 188 A CA 1.391 53.268 52.037 -0.266 0.000 0.768 188 A CB -0.555 18.386 19.000 -0.098 0.000 0.790 188 A HN 0.930 nan 8.150 nan 0.000 0.478 189 A N -1.795 120.759 122.820 -0.443 0.000 2.063 189 A HA 0.444 4.761 4.320 -0.006 0.000 0.211 189 A C 1.226 178.536 177.584 -0.457 0.000 1.177 189 A CA 0.525 52.252 52.037 -0.517 0.000 0.759 189 A CB -0.046 18.485 19.000 -0.781 0.000 0.857 189 A HN 0.498 nan 8.150 nan 0.000 0.468 190 F N -1.308 118.477 119.950 -0.276 0.000 2.772 190 F HA 0.219 4.742 4.527 -0.006 0.000 0.316 190 F C 0.861 176.466 175.800 -0.324 0.000 1.114 190 F CA -0.328 57.532 58.000 -0.233 0.000 1.191 190 F CB 0.587 39.499 39.000 -0.146 0.000 1.065 190 F HN 0.185 nan 8.300 nan 0.000 0.534 191 N N 2.246 120.712 118.700 -0.390 0.000 2.710 191 N HA -0.238 4.498 4.740 -0.006 0.000 0.249 191 N C -0.505 174.935 175.510 -0.116 0.000 1.059 191 N CA 0.759 53.600 53.050 -0.349 0.000 0.720 191 N CB -0.784 37.589 38.487 -0.191 0.000 0.983 191 N HN 0.353 nan 8.380 nan 0.000 0.544 192 A N -0.157 122.611 122.820 -0.086 0.000 2.786 192 A HA 0.557 4.873 4.320 -0.006 0.000 0.346 192 A C -1.332 176.204 177.584 -0.079 0.000 1.265 192 A CA -1.149 50.863 52.037 -0.042 0.000 0.858 192 A CB 1.014 20.030 19.000 0.027 0.000 1.118 192 A HN 0.112 nan 8.150 nan 0.000 0.482 193 P HA -0.238 nan 4.420 nan 0.000 0.213 193 P C 1.643 178.828 177.300 -0.191 0.000 1.176 193 P CA 1.245 64.252 63.100 -0.156 0.000 0.919 193 P CB 0.050 31.664 31.700 -0.143 0.000 0.791 194 L N -1.268 119.869 121.223 -0.143 0.000 2.042 194 L HA -0.209 4.127 4.340 -0.006 0.000 0.210 194 L C 2.526 179.356 176.870 -0.066 0.000 1.076 194 L CA 1.846 56.614 54.840 -0.119 0.000 0.749 194 L CB -1.483 40.549 42.059 -0.046 0.000 0.893 194 L HN -0.037 nan 8.230 nan 0.000 0.432 195 A N 0.561 123.360 122.820 -0.034 0.000 1.933 195 A HA -0.111 4.205 4.320 -0.006 0.000 0.218 195 A C 2.413 180.008 177.584 0.019 0.000 1.175 195 A CA 1.727 53.772 52.037 0.013 0.000 0.628 195 A CB -1.179 17.837 19.000 0.026 0.000 0.814 195 A HN 0.455 nan 8.150 nan 0.000 0.444 196 G N 0.346 109.119 108.800 -0.045 0.000 2.484 196 G HA2 -0.205 3.751 3.960 -0.006 0.000 0.215 196 G HA3 -0.205 3.751 3.960 -0.006 0.000 0.215 196 G C 1.500 176.399 174.900 -0.003 0.000 1.219 196 G CA 1.211 46.286 45.100 -0.042 0.000 0.791 196 G HN 0.472 nan 8.290 nan 0.000 0.550 197 I N 0.481 120.989 120.570 -0.103 0.000 2.208 197 I HA -0.143 4.023 4.170 -0.006 0.000 0.245 197 I C 2.626 178.749 176.117 0.010 0.000 1.097 197 I CA 0.571 61.817 61.300 -0.091 0.000 1.363 197 I CB -0.217 37.631 38.000 -0.253 0.000 1.051 197 I HN 0.065 nan 8.210 nan 0.000 0.413 198 L N -0.370 120.874 121.223 0.036 0.000 2.131 198 L HA -0.220 4.116 4.340 -0.006 0.000 0.210 198 L C 2.532 179.481 176.870 0.131 0.000 1.092 198 L CA 1.866 56.753 54.840 0.078 0.000 0.759 198 L CB -0.980 41.127 42.059 0.080 0.000 0.903 198 L HN 0.269 nan 8.230 nan 0.000 0.435 199 F N 0.791 120.733 119.950 -0.013 0.000 2.102 199 F HA -0.233 4.291 4.527 -0.006 0.000 0.298 199 F C 2.319 178.109 175.800 -0.017 0.000 1.105 199 F CA 1.223 59.225 58.000 0.003 0.000 1.239 199 F CB -0.299 38.680 39.000 -0.035 0.000 0.991 199 F HN -0.061 nan 8.300 nan 0.000 0.474 200 I N 1.045 121.548 120.570 -0.112 0.000 2.127 200 I HA -0.260 3.906 4.170 -0.006 0.000 0.241 200 I C 2.141 178.150 176.117 -0.181 0.000 1.075 200 I CA 1.725 62.895 61.300 -0.217 0.000 1.334 200 I CB -0.744 37.191 38.000 -0.108 0.000 1.040 200 I HN 0.305 nan 8.210 nan 0.000 0.405 201 I N -2.366 118.152 120.570 -0.086 0.000 3.752 201 I HA 0.114 4.281 4.170 -0.006 0.000 0.313 201 I C 1.311 177.392 176.117 -0.060 0.000 1.304 201 I CA 0.780 62.040 61.300 -0.066 0.000 1.171 201 I CB -0.293 37.698 38.000 -0.016 0.000 1.038 201 I HN 0.298 nan 8.210 nan 0.000 0.427 202 E N 0.507 120.656 120.200 -0.086 0.000 2.617 202 E HA -0.034 4.312 4.350 -0.006 0.000 0.208 202 E C 1.083 177.626 176.600 -0.094 0.000 0.888 202 E CA 0.342 56.710 56.400 -0.054 0.000 1.485 202 E CB 0.687 30.401 29.700 0.024 0.000 1.482 202 E HN 0.586 nan 8.360 nan 0.000 0.813 203 E N -0.638 119.436 120.200 -0.211 0.000 3.454 203 E HA 0.124 4.470 4.350 -0.006 0.000 0.208 203 E C 1.699 178.078 176.600 -0.368 0.000 1.153 203 E CA 0.228 56.473 56.400 -0.259 0.000 1.553 203 E CB -0.043 29.500 29.700 -0.261 0.000 1.423 203 E HN -0.046 nan 8.360 nan 0.000 0.662 204 M N 1.865 121.117 119.600 -0.581 0.000 2.108 204 M HA -0.030 4.446 4.480 -0.006 0.000 0.261 204 M C 0.896 177.031 176.300 -0.274 0.000 1.066 204 M CA 1.199 56.222 55.300 -0.461 0.000 1.107 204 M CB -1.287 31.023 32.600 -0.482 0.000 1.356 204 M HN 0.119 nan 8.290 nan 0.000 0.406 205 R N 1.322 121.673 120.500 -0.248 0.000 2.734 205 R HA 0.141 4.477 4.340 -0.006 0.000 0.266 205 R C -2.490 173.687 176.300 -0.206 0.000 1.044 205 R CA -1.218 54.755 56.100 -0.212 0.000 1.128 205 R CB -1.252 28.931 30.300 -0.195 0.000 1.010 205 R HN -0.020 nan 8.270 nan 0.000 0.461 206 P HA -0.078 nan 4.420 nan 0.000 0.255 206 P C -0.515 176.660 177.300 -0.209 0.000 1.173 206 P CA 0.404 63.412 63.100 -0.153 0.000 0.780 206 P CB 0.695 32.303 31.700 -0.153 0.000 0.758 207 Q N 2.487 122.066 119.800 -0.368 0.000 2.432 207 Q HA 0.071 4.407 4.340 -0.006 0.000 0.205 207 Q C 0.455 176.004 176.000 -0.751 0.000 0.945 207 Q CA 1.395 56.796 55.803 -0.669 0.000 0.924 207 Q CB -0.158 28.017 28.738 -0.938 0.000 1.016 207 Q HN 0.451 nan 8.270 nan 0.000 0.503 208 F N -1.045 118.900 119.950 -0.007 0.000 2.752 208 F HA 0.303 4.826 4.527 -0.007 0.000 0.310 208 F C 0.600 176.411 175.800 0.020 0.000 1.097 208 F CA -0.570 57.436 58.000 0.010 0.000 1.238 208 F CB 0.444 39.451 39.000 0.012 0.000 1.061 208 F HN -0.120 nan 8.300 nan 0.000 0.591 209 R N -1.122 119.464 120.500 0.144 0.000 2.888 209 R HA 0.423 4.759 4.340 -0.006 0.000 0.266 209 R C -1.179 175.176 176.300 0.090 0.000 1.020 209 R CA -0.901 55.271 56.100 0.120 0.000 0.963 209 R CB 0.689 31.057 30.300 0.114 0.000 1.197 209 R HN -0.012 nan 8.270 nan 0.000 0.481 210 Y N 1.161 121.463 120.300 0.003 0.000 2.480 210 Y HA 0.232 4.779 4.550 -0.006 0.000 0.338 210 Y C -0.799 175.086 175.900 -0.026 0.000 1.220 210 Y CA 0.944 59.038 58.100 -0.011 0.000 1.430 210 Y CB 0.999 39.461 38.460 0.003 0.000 1.311 210 Y HN 0.772 nan 8.280 nan 0.000 0.575 211 T N 5.326 119.415 114.554 -0.775 0.000 2.864 211 T HA 0.389 4.736 4.350 -0.006 0.000 0.289 211 T C -0.574 173.695 174.700 -0.719 0.000 1.082 211 T CA -0.886 60.859 62.100 -0.592 0.000 1.009 211 T CB 1.322 69.926 68.868 -0.441 0.000 1.234 211 T HN 0.440 nan 8.240 nan 0.000 0.526 212 L N 0.862 121.927 121.223 -0.264 0.000 2.978 212 L HA 0.420 4.756 4.340 -0.006 0.000 0.239 212 L C -0.332 176.512 176.870 -0.045 0.000 1.293 212 L CA 0.155 54.931 54.840 -0.107 0.000 1.085 212 L CB -0.813 41.282 42.059 0.061 0.000 1.432 212 L HN 0.476 nan 8.230 nan 0.000 0.512 213 I N -0.820 119.683 120.570 -0.113 0.000 2.379 213 I HA 0.115 4.282 4.170 -0.006 0.000 0.290 213 I C 0.866 176.960 176.117 -0.038 0.000 1.063 213 I CA 0.028 61.294 61.300 -0.056 0.000 1.351 213 I CB 0.967 38.915 38.000 -0.087 0.000 1.410 213 I HN 0.093 nan 8.210 nan 0.000 0.505 214 S N 6.265 121.961 115.700 -0.006 0.000 2.400 214 S HA 0.336 4.802 4.470 -0.006 0.000 0.295 214 S C 1.241 175.854 174.600 0.022 0.000 1.113 214 S CA -0.551 57.653 58.200 0.007 0.000 1.064 214 S CB 0.200 63.408 63.200 0.013 0.000 0.990 214 S HN 0.556 nan 8.310 nan 0.000 0.502 215 I N 4.941 125.527 120.570 0.027 0.000 2.163 215 I HA -0.203 3.963 4.170 -0.006 0.000 0.243 215 I C 2.638 178.818 176.117 0.104 0.000 1.085 215 I CA 1.270 62.612 61.300 0.070 0.000 1.347 215 I CB -0.206 37.827 38.000 0.056 0.000 1.044 215 I HN 0.657 nan 8.210 nan 0.000 0.408 216 K N 0.910 121.325 120.400 0.025 0.000 2.113 216 K HA -0.246 4.070 4.320 -0.006 0.000 0.208 216 K C 2.083 178.725 176.600 0.070 0.000 1.047 216 K CA 1.723 58.009 56.287 -0.001 0.000 0.928 216 K CB -0.100 32.377 32.500 -0.040 0.000 0.716 216 K HN 0.375 nan 8.250 nan 0.000 0.446 217 A N 0.280 123.134 122.820 0.056 0.000 1.970 217 A HA -0.039 4.277 4.320 -0.006 0.000 0.216 217 A C 2.161 179.781 177.584 0.059 0.000 1.170 217 A CA 0.951 53.016 52.037 0.045 0.000 0.645 217 A CB -0.297 18.715 19.000 0.019 0.000 0.816 217 A HN 0.138 nan 8.150 nan 0.000 0.447 218 V N -0.932 119.029 119.914 0.079 0.000 2.255 218 V HA -0.283 3.833 4.120 -0.006 0.000 0.247 218 V C 2.226 178.363 176.094 0.071 0.000 1.051 218 V CA 2.246 64.581 62.300 0.059 0.000 1.018 218 V CB -1.009 30.850 31.823 0.059 0.000 0.641 218 V HN 0.542 nan 8.190 nan 0.000 0.445 219 F N -0.061 119.872 119.950 -0.028 0.000 2.015 219 F HA -0.254 4.270 4.527 -0.006 0.000 0.297 219 F C 2.359 178.139 175.800 -0.032 0.000 1.141 219 F CA 2.112 60.097 58.000 -0.025 0.000 1.192 219 F CB -0.610 38.377 39.000 -0.021 0.000 0.957 219 F HN 0.011 nan 8.300 nan 0.000 0.491 220 I N 0.152 120.831 120.570 0.182 0.000 2.229 220 I HA -0.344 3.822 4.170 -0.006 0.000 0.250 220 I C 2.638 178.754 176.117 -0.002 0.000 1.096 220 I CA 1.861 63.200 61.300 0.066 0.000 1.358 220 I CB -2.171 35.844 38.000 0.025 0.000 1.047 220 I HN 0.302 nan 8.210 nan 0.000 0.422 221 G N 0.582 109.372 108.800 -0.017 0.000 2.433 221 G HA2 -0.147 3.809 3.960 -0.006 0.000 0.216 221 G HA3 -0.147 3.809 3.960 -0.006 0.000 0.216 221 G C 1.841 176.701 174.900 -0.068 0.000 1.186 221 G CA 0.920 45.988 45.100 -0.054 0.000 0.779 221 G HN 0.274 nan 8.290 nan 0.000 0.543 222 V N 1.369 121.229 119.914 -0.090 0.000 2.287 222 V HA -0.164 3.952 4.120 -0.006 0.000 0.248 222 V C 2.780 178.813 176.094 -0.101 0.000 1.053 222 V CA 1.183 63.404 62.300 -0.132 0.000 1.027 222 V CB -0.400 31.281 31.823 -0.237 0.000 0.646 222 V HN 0.253 nan 8.190 nan 0.000 0.447 223 I N -0.445 120.080 120.570 -0.076 0.000 2.087 223 I HA -0.299 3.867 4.170 -0.006 0.000 0.240 223 I C 2.512 178.619 176.117 -0.016 0.000 1.054 223 I CA 2.143 63.426 61.300 -0.027 0.000 1.311 223 I CB -0.824 37.190 38.000 0.023 0.000 1.024 223 I HN 0.284 nan 8.210 nan 0.000 0.402 224 M N 0.171 119.756 119.600 -0.026 0.000 2.108 224 M HA -0.165 4.312 4.480 -0.006 0.000 0.261 224 M C 2.544 178.841 176.300 -0.006 0.000 1.066 224 M CA 2.085 57.371 55.300 -0.024 0.000 1.107 224 M CB -1.672 30.896 32.600 -0.054 0.000 1.356 224 M HN 0.431 nan 8.290 nan 0.000 0.406 225 S N -0.841 114.847 115.700 -0.021 0.000 2.406 225 S HA -0.083 4.383 4.470 -0.006 0.000 0.228 225 S C 1.833 176.459 174.600 0.043 0.000 1.020 225 S CA 1.572 59.769 58.200 -0.005 0.000 0.965 225 S CB -0.649 62.523 63.200 -0.047 0.000 0.798 225 S HN 0.480 nan 8.310 nan 0.000 0.488 226 T N 2.747 117.317 114.554 0.027 0.000 2.737 226 T HA 0.150 4.496 4.350 -0.006 0.000 0.265 226 T C 1.756 176.540 174.700 0.139 0.000 1.038 226 T CA 1.383 63.529 62.100 0.077 0.000 1.144 226 T CB -0.479 68.402 68.868 0.023 0.000 0.866 226 T HN 0.385 nan 8.240 nan 0.000 0.434 227 I N 0.961 121.582 120.570 0.085 0.000 2.208 227 I HA -0.186 3.980 4.170 -0.006 0.000 0.245 227 I C 2.458 178.648 176.117 0.122 0.000 1.097 227 I CA 1.025 62.376 61.300 0.085 0.000 1.363 227 I CB -0.344 37.684 38.000 0.047 0.000 1.051 227 I HN 0.181 nan 8.210 nan 0.000 0.413 228 M N -0.677 119.002 119.600 0.131 0.000 2.213 228 M HA -0.231 4.245 4.480 -0.006 0.000 0.263 228 M C 2.361 178.817 176.300 0.259 0.000 1.062 228 M CA 1.780 57.192 55.300 0.186 0.000 1.105 228 M CB -1.362 31.305 32.600 0.112 0.000 1.385 228 M HN 0.294 nan 8.290 nan 0.000 0.417 229 Y N 1.090 121.453 120.300 0.104 0.000 2.263 229 Y HA -0.063 4.483 4.550 -0.007 0.000 0.292 229 Y C 2.355 178.341 175.900 0.144 0.000 1.130 229 Y CA 1.521 59.684 58.100 0.104 0.000 1.179 229 Y CB -0.011 38.474 38.460 0.040 0.000 0.998 229 Y HN 0.065 nan 8.280 nan 0.000 0.532 230 R N -0.014 120.553 120.500 0.111 0.000 2.148 230 R HA -0.082 4.254 4.340 -0.006 0.000 0.223 230 R C 1.977 178.304 176.300 0.045 0.000 1.088 230 R CA 1.032 57.154 56.100 0.038 0.000 0.985 230 R CB -0.371 29.994 30.300 0.108 0.000 0.880 230 R HN 0.396 nan 8.270 nan 0.000 0.451 231 I N -0.003 120.613 120.570 0.077 0.000 2.264 231 I HA -0.233 3.934 4.170 -0.006 0.000 0.248 231 I C 1.589 177.634 176.117 -0.120 0.000 1.111 231 I CA 1.622 62.907 61.300 -0.025 0.000 1.382 231 I CB -0.677 37.300 38.000 -0.039 0.000 1.060 231 I HN 0.011 nan 8.210 nan 0.000 0.418 232 F N -0.130 119.785 119.950 -0.059 0.000 2.720 232 F HA 0.213 4.736 4.527 -0.007 0.000 0.301 232 F C 1.303 176.920 175.800 -0.306 0.000 1.103 232 F CA 0.097 58.027 58.000 -0.116 0.000 1.291 232 F CB 0.023 38.958 39.000 -0.109 0.000 1.086 232 F HN 0.043 nan 8.300 nan 0.000 0.592 233 N N -0.354 118.161 118.700 -0.310 0.000 2.451 233 N HA 0.039 4.775 4.740 -0.006 0.000 0.271 233 N C -0.539 174.745 175.510 -0.376 0.000 1.410 233 N CA -0.105 52.647 53.050 -0.497 0.000 0.884 233 N CB -0.077 37.870 38.487 -0.899 0.000 1.332 233 N HN 0.352 nan 8.380 nan 0.000 0.498 234 H N 0.204 119.181 119.070 -0.156 0.000 2.929 234 H HA 0.110 4.663 4.556 -0.006 0.000 0.358 234 H C 0.339 175.635 175.328 -0.053 0.000 1.111 234 H CA 0.348 56.344 56.048 -0.085 0.000 1.409 234 H CB 0.330 30.045 29.762 -0.079 0.000 1.373 234 H HN 0.068 nan 8.280 nan 0.000 0.610 235 E N -0.866 119.386 120.200 0.086 0.000 3.170 235 E HA -0.164 4.182 4.350 -0.006 0.000 0.284 235 E C -1.179 175.423 176.600 0.003 0.000 0.967 235 E CA 0.863 57.300 56.400 0.061 0.000 0.919 235 E CB -1.267 28.510 29.700 0.129 0.000 1.469 235 E HN 0.452 nan 8.360 nan 0.000 0.444 236 V N -0.650 119.251 119.914 -0.022 0.000 2.532 236 V HA 0.641 4.757 4.120 -0.006 0.000 0.294 236 V C 0.289 176.388 176.094 0.008 0.000 1.036 236 V CA -0.391 61.900 62.300 -0.016 0.000 0.876 236 V CB 1.674 33.477 31.823 -0.035 0.000 1.012 236 V HN 0.260 nan 8.190 nan 0.000 0.432 237 A N 3.577 126.402 122.820 0.007 0.000 2.366 237 A HA 0.682 4.998 4.320 -0.006 0.000 0.249 237 A C 0.996 178.561 177.584 -0.032 0.000 1.084 237 A CA -0.155 51.883 52.037 0.002 0.000 0.794 237 A CB 0.431 19.421 19.000 -0.016 0.000 1.034 237 A HN 0.879 nan 8.150 nan 0.000 0.491 238 L N 0.584 121.758 121.223 -0.082 0.000 2.072 238 L HA 0.036 4.372 4.340 -0.006 0.000 0.205 238 L C 0.131 176.832 176.870 -0.282 0.000 1.079 238 L CA 1.007 55.713 54.840 -0.222 0.000 0.752 238 L CB -0.104 41.721 42.059 -0.390 0.000 0.906 238 L HN 0.511 nan 8.230 nan 0.000 0.436 239 I N -0.393 120.039 120.570 -0.229 0.000 2.447 239 I HA 0.265 4.431 4.170 -0.006 0.000 0.287 239 I C -1.127 174.941 176.117 -0.082 0.000 1.023 239 I CA -0.611 60.597 61.300 -0.154 0.000 1.083 239 I CB 1.416 39.314 38.000 -0.170 0.000 1.245 239 I HN -0.097 nan 8.210 nan 0.000 0.434 240 D N 5.536 125.909 120.400 -0.045 0.000 2.408 240 D HA 0.421 5.058 4.640 -0.006 0.000 0.243 240 D C -0.023 176.269 176.300 -0.014 0.000 1.075 240 D CA -0.141 53.843 54.000 -0.026 0.000 0.832 240 D CB 2.508 43.298 40.800 -0.016 0.000 1.162 240 D HN 0.227 nan 8.370 nan 0.000 0.515 241 V N 2.431 122.338 119.914 -0.012 0.000 3.451 241 V HA 0.361 4.477 4.120 -0.006 0.000 0.288 241 V C 0.939 177.033 176.094 0.000 0.000 1.502 241 V CA 0.640 62.939 62.300 -0.002 0.000 1.026 241 V CB -0.028 31.794 31.823 -0.001 0.000 0.840 241 V HN 0.917 nan 8.190 nan 0.000 0.437 242 G N 1.710 110.509 108.800 -0.003 0.000 2.888 242 G HA2 -0.258 3.698 3.960 -0.006 0.000 0.441 242 G HA3 -0.258 3.698 3.960 -0.006 0.000 0.441 242 G C -0.363 174.537 174.900 -0.000 0.000 1.461 242 G CA 0.071 45.171 45.100 -0.001 0.000 0.897 242 G HN 0.438 nan 8.290 nan 0.000 0.547 243 K N 0.687 121.088 120.400 0.001 0.000 2.315 243 K HA 0.464 4.780 4.320 -0.006 0.000 0.291 243 K C 1.189 177.790 176.600 0.002 0.000 1.074 243 K CA -0.436 55.851 56.287 0.001 0.000 0.936 243 K CB -0.010 32.492 32.500 0.003 0.000 1.049 243 K HN 0.460 nan 8.250 nan 0.000 0.471 244 L N 2.428 123.650 121.223 -0.002 0.000 2.456 244 L HA 0.143 4.480 4.340 -0.006 0.000 0.246 244 L C 0.765 177.635 176.870 0.000 0.000 1.238 244 L CA 0.133 54.975 54.840 0.003 0.000 0.826 244 L CB 0.454 42.511 42.059 -0.003 0.000 1.150 244 L HN 0.886 nan 8.230 nan 0.000 0.514 245 S N -0.713 114.993 115.700 0.011 0.000 2.626 245 S HA 0.177 4.643 4.470 -0.006 0.000 0.257 245 S C -0.423 174.169 174.600 -0.014 0.000 1.288 245 S CA -0.894 57.312 58.200 0.011 0.000 0.980 245 S CB 0.752 63.976 63.200 0.039 0.000 0.975 245 S HN 0.443 nan 8.310 nan 0.000 0.577 246 D N 0.242 120.635 120.400 -0.012 0.000 2.423 246 D HA 0.637 5.274 4.640 -0.006 0.000 0.255 246 D C -0.446 175.831 176.300 -0.039 0.000 1.174 246 D CA -0.126 53.851 54.000 -0.038 0.000 1.008 246 D CB 0.674 41.458 40.800 -0.027 0.000 1.101 246 D HN 0.789 nan 8.370 nan 0.000 0.516 247 A N 0.953 123.727 122.820 -0.076 0.000 2.310 247 A HA 0.592 4.909 4.320 -0.006 0.000 0.304 247 A C -2.481 175.077 177.584 -0.043 0.000 1.231 247 A CA -1.199 50.797 52.037 -0.068 0.000 0.799 247 A CB 0.533 19.426 19.000 -0.178 0.000 1.162 247 A HN 0.291 nan 8.150 nan 0.000 0.486 248 P HA 0.310 nan 4.420 nan 0.000 0.274 248 P C 0.957 178.263 177.300 0.010 0.000 1.237 248 P CA -0.572 62.542 63.100 0.023 0.000 0.793 248 P CB 0.630 32.377 31.700 0.080 0.000 0.977 249 L N 0.765 122.005 121.223 0.028 0.000 2.079 249 L HA -0.181 4.155 4.340 -0.006 0.000 0.210 249 L C 1.782 178.694 176.870 0.070 0.000 1.081 249 L CA 1.580 56.442 54.840 0.036 0.000 0.752 249 L CB -0.984 41.100 42.059 0.041 0.000 0.896 249 L HN 0.490 nan 8.230 nan 0.000 0.433 250 N N -1.152 117.605 118.700 0.096 0.000 2.515 250 N HA -0.091 4.645 4.740 -0.006 0.000 0.191 250 N C 1.159 176.660 175.510 -0.015 0.000 1.182 250 N CA 0.883 54.034 53.050 0.169 0.000 0.879 250 N CB -0.463 38.192 38.487 0.280 0.000 0.984 250 N HN 0.169 nan 8.380 nan 0.000 0.453 251 T N 0.636 115.063 114.554 -0.210 0.000 3.044 251 T HA 0.232 4.578 4.350 -0.006 0.000 0.255 251 T C 1.866 176.353 174.700 -0.356 0.000 1.073 251 T CA -0.109 61.677 62.100 -0.524 0.000 1.125 251 T CB 0.067 68.770 68.868 -0.275 0.000 0.908 251 T HN 0.082 nan 8.240 nan 0.000 0.480 252 L N 1.556 122.764 121.223 -0.026 0.000 2.051 252 L HA -0.158 4.178 4.340 -0.006 0.000 0.214 252 L C 2.840 179.772 176.870 0.104 0.000 1.076 252 L CA 1.669 56.584 54.840 0.126 0.000 0.758 252 L CB -0.699 41.417 42.059 0.095 0.000 0.890 252 L HN 0.570 nan 8.230 nan 0.000 0.433 253 W N 0.096 121.401 121.300 0.010 0.000 2.331 253 W HA -0.209 4.447 4.660 -0.006 0.000 0.291 253 W C 1.737 178.266 176.519 0.017 0.000 1.214 253 W CA 0.697 58.048 57.345 0.011 0.000 1.228 253 W CB -1.232 28.220 29.460 -0.013 0.000 1.135 253 W HN 0.191 nan 8.180 nan 0.000 0.537 254 L N -0.139 120.563 121.223 -0.869 0.000 2.201 254 L HA -0.210 4.126 4.340 -0.006 0.000 0.212 254 L C 2.544 179.288 176.870 -0.209 0.000 1.105 254 L CA 1.465 55.892 54.840 -0.687 0.000 0.775 254 L CB -0.836 40.660 42.059 -0.939 0.000 0.913 254 L HN -0.129 nan 8.230 nan 0.000 0.440 255 Y N -1.327 118.958 120.300 -0.025 0.000 2.337 255 Y HA -0.187 4.359 4.550 -0.006 0.000 0.293 255 Y C 2.234 178.103 175.900 -0.051 0.000 1.123 255 Y CA 0.551 58.630 58.100 -0.034 0.000 1.201 255 Y CB -0.126 38.257 38.460 -0.130 0.000 1.011 255 Y HN 0.052 nan 8.280 nan 0.000 0.545 256 L N -0.011 121.284 121.223 0.120 0.000 1.989 256 L HA -0.229 4.107 4.340 -0.006 0.000 0.211 256 L C 2.072 178.974 176.870 0.053 0.000 1.071 256 L CA 1.640 56.538 54.840 0.095 0.000 0.749 256 L CB -0.678 41.467 42.059 0.143 0.000 0.890 256 L HN 0.113 nan 8.230 nan 0.000 0.431 257 I N -0.509 120.100 120.570 0.064 0.000 2.151 257 I HA -0.298 3.868 4.170 -0.006 0.000 0.243 257 I C 2.564 178.563 176.117 -0.197 0.000 1.080 257 I CA 1.559 62.878 61.300 0.032 0.000 1.339 257 I CB -1.482 36.624 38.000 0.176 0.000 1.039 257 I HN 0.392 nan 8.210 nan 0.000 0.409 258 L N 1.542 122.477 121.223 -0.480 0.000 2.042 258 L HA -0.091 4.245 4.340 -0.006 0.000 0.210 258 L C 2.432 179.201 176.870 -0.168 0.000 1.076 258 L CA 2.325 56.710 54.840 -0.759 0.000 0.749 258 L CB -1.276 40.325 42.059 -0.764 0.000 0.893 258 L HN 0.212 nan 8.230 nan 0.000 0.432 259 G N -0.257 108.529 108.800 -0.025 0.000 2.421 259 G HA2 -0.260 3.696 3.960 -0.006 0.000 0.216 259 G HA3 -0.260 3.696 3.960 -0.006 0.000 0.216 259 G C 1.649 176.587 174.900 0.063 0.000 1.171 259 G CA 1.154 46.294 45.100 0.067 0.000 0.775 259 G HN 0.489 nan 8.290 nan 0.000 0.543 260 I N 0.786 121.367 120.570 0.017 0.000 2.151 260 I HA -0.226 3.940 4.170 -0.006 0.000 0.243 260 I C 2.659 178.787 176.117 0.018 0.000 1.080 260 I CA 1.070 62.386 61.300 0.026 0.000 1.339 260 I CB -0.234 37.791 38.000 0.041 0.000 1.039 260 I HN 0.179 nan 8.210 nan 0.000 0.409 261 I N -0.389 120.152 120.570 -0.050 0.000 2.286 261 I HA -0.291 3.875 4.170 -0.006 0.000 0.248 261 I C 2.308 178.365 176.117 -0.100 0.000 1.115 261 I CA 1.619 62.850 61.300 -0.115 0.000 1.392 261 I CB -0.442 37.401 38.000 -0.262 0.000 1.065 261 I HN 0.073 nan 8.210 nan 0.000 0.418 262 F N 1.084 120.994 119.950 -0.066 0.000 2.234 262 F HA -0.066 4.457 4.527 -0.006 0.000 0.299 262 F C 2.564 178.385 175.800 0.036 0.000 1.087 262 F CA 1.260 59.254 58.000 -0.010 0.000 1.340 262 F CB -0.643 38.319 39.000 -0.062 0.000 1.031 262 F HN 0.023 nan 8.300 nan 0.000 0.500 263 G N 0.818 109.722 108.800 0.173 0.000 2.418 263 G HA2 -0.277 3.679 3.960 -0.006 0.000 0.217 263 G HA3 -0.277 3.679 3.960 -0.006 0.000 0.217 263 G C 1.649 176.598 174.900 0.082 0.000 1.158 263 G CA 1.165 46.314 45.100 0.083 0.000 0.771 263 G HN 0.549 nan 8.290 nan 0.000 0.545 264 I N -3.073 117.555 120.570 0.096 0.000 2.761 264 I HA 0.238 4.404 4.170 -0.006 0.000 0.261 264 I C 2.320 178.509 176.117 0.119 0.000 1.198 264 I CA 0.790 62.148 61.300 0.096 0.000 1.482 264 I CB -0.128 37.925 38.000 0.090 0.000 1.100 264 I HN 0.066 nan 8.210 nan 0.000 0.445 265 F N 2.342 122.285 119.950 -0.012 0.000 2.335 265 F HA 0.297 4.821 4.527 -0.005 0.000 0.296 265 F C 2.303 178.106 175.800 0.005 0.000 1.091 265 F CA 0.966 58.948 58.000 -0.031 0.000 1.399 265 F CB -0.479 38.461 39.000 -0.100 0.000 1.067 265 F HN 0.074 nan 8.300 nan 0.000 0.520 266 G N 1.379 110.236 108.800 0.096 0.000 2.553 266 G HA2 -0.283 3.673 3.960 -0.006 0.000 0.218 266 G HA3 -0.283 3.673 3.960 -0.006 0.000 0.218 266 G C -0.745 174.119 174.900 -0.060 0.000 1.195 266 G CA 1.212 46.324 45.100 0.021 0.000 0.779 266 G HN 0.302 nan 8.290 nan 0.000 0.577 267 P HA 0.021 nan 4.420 nan 0.000 0.217 267 P C 2.003 179.268 177.300 -0.059 0.000 1.151 267 P CA 0.423 63.508 63.100 -0.026 0.000 0.828 267 P CB 0.005 31.711 31.700 0.011 0.000 0.788 268 I N -1.243 119.251 120.570 -0.128 0.000 2.194 268 I HA -0.249 3.917 4.170 -0.006 0.000 0.246 268 I C 2.193 178.083 176.117 -0.377 0.000 1.093 268 I CA 1.718 62.931 61.300 -0.145 0.000 1.355 268 I CB -1.471 36.405 38.000 -0.206 0.000 1.046 268 I HN -0.057 nan 8.210 nan 0.000 0.413 269 F N 1.904 121.359 119.950 -0.824 0.000 2.186 269 F HA -0.157 4.366 4.527 -0.007 0.000 0.299 269 F C 2.273 177.919 175.800 -0.256 0.000 1.090 269 F CA 1.584 59.103 58.000 -0.802 0.000 1.307 269 F CB -0.464 38.073 39.000 -0.771 0.000 1.019 269 F HN 0.175 nan 8.300 nan 0.000 0.489 270 N N -0.134 118.524 118.700 -0.071 0.000 2.166 270 N HA -0.201 4.535 4.740 -0.006 0.000 0.186 270 N C 1.730 177.243 175.510 0.006 0.000 1.019 270 N CA 1.067 54.104 53.050 -0.022 0.000 0.856 270 N CB -0.111 38.381 38.487 0.009 0.000 0.993 270 N HN 0.238 nan 8.380 nan 0.000 0.426 271 K N 0.326 120.764 120.400 0.065 0.000 2.020 271 K HA -0.174 4.142 4.320 -0.006 0.000 0.212 271 K C 1.653 178.333 176.600 0.134 0.000 1.050 271 K CA 1.569 57.926 56.287 0.117 0.000 0.929 271 K CB -0.116 32.486 32.500 0.169 0.000 0.714 271 K HN 0.258 nan 8.250 nan 0.000 0.443 272 W N -0.125 121.036 121.300 -0.232 0.000 2.338 272 W HA -0.147 4.508 4.660 -0.007 0.000 0.304 272 W C 2.154 178.504 176.519 -0.282 0.000 1.212 272 W CA 0.497 57.676 57.345 -0.278 0.000 1.264 272 W CB -1.290 27.921 29.460 -0.415 0.000 1.142 272 W HN -0.041 nan 8.180 nan 0.000 0.512 273 V N 0.533 120.376 119.914 -0.118 0.000 2.427 273 V HA -0.216 3.900 4.120 -0.006 0.000 0.248 273 V C 1.934 178.049 176.094 0.035 0.000 1.051 273 V CA 1.769 64.037 62.300 -0.054 0.000 1.048 273 V CB -0.441 31.365 31.823 -0.029 0.000 0.666 273 V HN 0.148 nan 8.190 nan 0.000 0.456 274 L N 0.420 121.659 121.223 0.026 0.000 2.023 274 L HA 0.089 4.425 4.340 -0.006 0.000 0.205 274 L C 2.782 179.653 176.870 0.002 0.000 1.073 274 L CA 1.706 56.562 54.840 0.026 0.000 0.745 274 L CB -1.358 40.718 42.059 0.029 0.000 0.900 274 L HN 0.430 nan 8.230 nan 0.000 0.435 275 G N -0.278 108.516 108.800 -0.010 0.000 2.469 275 G HA2 -0.347 3.610 3.960 -0.006 0.000 0.220 275 G HA3 -0.347 3.610 3.960 -0.006 0.000 0.220 275 G C 1.567 176.440 174.900 -0.046 0.000 1.136 275 G CA 1.059 46.136 45.100 -0.038 0.000 0.759 275 G HN 0.203 nan 8.290 nan 0.000 0.562 276 M N 0.176 119.757 119.600 -0.031 0.000 2.394 276 M HA 0.135 4.611 4.480 -0.006 0.000 0.264 276 M C 2.465 178.758 176.300 -0.011 0.000 1.073 276 M CA 1.051 56.337 55.300 -0.024 0.000 1.111 276 M CB -0.141 32.462 32.600 0.006 0.000 1.401 276 M HN 0.290 nan 8.290 nan 0.000 0.448 277 Q N -0.104 119.694 119.800 -0.003 0.000 2.084 277 Q HA -0.185 4.152 4.340 -0.006 0.000 0.202 277 Q C 1.436 177.422 176.000 -0.024 0.000 0.978 277 Q CA 1.707 57.508 55.803 -0.003 0.000 0.844 277 Q CB -0.119 28.613 28.738 -0.009 0.000 0.898 277 Q HN 0.534 nan 8.270 nan 0.000 0.426 278 D N 0.654 121.032 120.400 -0.037 0.000 2.084 278 D HA -0.144 4.493 4.640 -0.006 0.000 0.196 278 D C 1.886 178.154 176.300 -0.054 0.000 0.985 278 D CA 0.720 54.697 54.000 -0.038 0.000 0.826 278 D CB -0.294 40.482 40.800 -0.041 0.000 0.978 278 D HN 0.150 nan 8.370 nan 0.000 0.456 279 L N 0.333 121.512 121.223 -0.072 0.000 2.127 279 L HA -0.128 4.209 4.340 -0.006 0.000 0.211 279 L C 2.203 178.987 176.870 -0.142 0.000 1.089 279 L CA 0.862 55.644 54.840 -0.098 0.000 0.757 279 L CB -0.002 42.004 42.059 -0.088 0.000 0.899 279 L HN -0.001 nan 8.230 nan 0.000 0.434 280 L N -1.825 119.313 121.223 -0.141 0.000 2.418 280 L HA -0.139 4.197 4.340 -0.006 0.000 0.218 280 L C 2.204 178.753 176.870 -0.535 0.000 1.125 280 L CA 0.241 54.946 54.840 -0.225 0.000 0.835 280 L CB -0.360 41.642 42.059 -0.096 0.000 0.953 280 L HN 0.294 nan 8.230 nan 0.000 0.454 281 H N 0.295 119.037 119.070 -0.547 0.000 2.495 281 H HA -0.037 4.515 4.556 -0.007 0.000 0.287 281 H C 2.266 177.128 175.328 -0.777 0.000 1.033 281 H CA 1.356 56.945 56.048 -0.766 0.000 1.307 281 H CB 0.257 29.843 29.762 -0.295 0.000 1.401 281 H HN 0.110 nan 8.280 nan 0.000 0.555 282 R N -0.770 119.426 120.500 -0.506 0.000 2.093 282 R HA -0.018 4.318 4.340 -0.006 0.000 0.224 282 R C 2.223 178.273 176.300 -0.416 0.000 1.101 282 R CA 1.073 56.938 56.100 -0.391 0.000 0.979 282 R CB 0.046 30.219 30.300 -0.212 0.000 0.877 282 R HN 0.161 nan 8.270 nan 0.000 0.441 283 V N 1.269 120.916 119.914 -0.445 0.000 2.453 283 V HA -0.264 3.852 4.120 -0.006 0.000 0.252 283 V C 1.806 177.724 176.094 -0.293 0.000 1.068 283 V CA 2.330 64.439 62.300 -0.318 0.000 1.070 283 V CB -0.848 30.825 31.823 -0.251 0.000 0.664 283 V HN 0.564 nan 8.190 nan 0.000 0.461 284 H N -1.803 117.074 119.070 -0.322 0.000 2.927 284 H HA 0.472 5.024 4.556 -0.007 0.000 0.255 284 H C 1.662 176.819 175.328 -0.284 0.000 0.974 284 H CA 0.273 56.151 56.048 -0.284 0.000 1.199 284 H CB -0.252 29.305 29.762 -0.341 0.000 1.447 284 H HN 0.294 nan 8.280 nan 0.000 0.467 285 G N 0.429 108.954 108.800 -0.457 0.000 2.203 285 G HA2 -0.091 3.865 3.960 -0.006 0.000 0.263 285 G HA3 -0.091 3.865 3.960 -0.006 0.000 0.263 285 G C 1.278 176.041 174.900 -0.229 0.000 1.012 285 G CA 0.908 45.768 45.100 -0.399 0.000 0.749 285 G HN 1.569 nan 8.290 nan 0.000 0.512 286 G N -1.280 107.499 108.800 -0.035 0.000 2.143 286 G HA2 -0.256 3.700 3.960 -0.006 0.000 0.249 286 G HA3 -0.256 3.700 3.960 -0.006 0.000 0.249 286 G C 0.136 175.178 174.900 0.237 0.000 0.981 286 G CA 0.770 46.012 45.100 0.236 0.000 0.665 286 G HN 1.597 nan 8.290 nan 0.000 0.528 287 N N 0.533 119.348 118.700 0.193 0.000 2.408 287 N HA 0.371 5.108 4.740 -0.006 0.000 0.257 287 N C 1.563 177.187 175.510 0.191 0.000 1.064 287 N CA -0.101 53.038 53.050 0.149 0.000 0.952 287 N CB 0.754 39.296 38.487 0.092 0.000 1.093 287 N HN 0.279 nan 8.380 nan 0.000 0.490 288 I N 2.942 123.597 120.570 0.143 0.000 2.185 288 I HA -0.357 3.810 4.170 -0.006 0.000 0.246 288 I C 1.110 177.307 176.117 0.134 0.000 1.088 288 I CA 1.628 63.000 61.300 0.120 0.000 1.347 288 I CB 0.138 38.181 38.000 0.071 0.000 1.041 288 I HN 0.533 nan 8.210 nan 0.000 0.415 289 T N 0.391 115.007 114.554 0.103 0.000 2.896 289 T HA -0.080 4.266 4.350 -0.006 0.000 0.263 289 T C 1.794 176.547 174.700 0.088 0.000 1.050 289 T CA 1.005 63.151 62.100 0.076 0.000 1.140 289 T CB -0.083 68.811 68.868 0.044 0.000 0.877 289 T HN 0.371 nan 8.240 nan 0.000 0.457 290 K N 0.129 120.591 120.400 0.104 0.000 2.097 290 K HA -0.081 4.235 4.320 -0.006 0.000 0.205 290 K C 2.076 178.760 176.600 0.140 0.000 1.050 290 K CA 0.932 57.278 56.287 0.099 0.000 0.938 290 K CB -0.088 32.465 32.500 0.089 0.000 0.718 290 K HN 0.302 nan 8.250 nan 0.000 0.442 291 W N 1.631 122.901 121.300 -0.049 0.000 2.381 291 W HA -0.156 4.500 4.660 -0.007 0.000 0.321 291 W C 1.947 178.328 176.519 -0.229 0.000 1.196 291 W CA 0.808 58.028 57.345 -0.207 0.000 1.304 291 W CB -0.807 28.412 29.460 -0.401 0.000 1.166 291 W HN -0.234 nan 8.180 nan 0.000 0.473 292 V N 1.356 121.368 119.914 0.163 0.000 2.317 292 V HA -0.346 3.770 4.120 -0.006 0.000 0.251 292 V C 2.471 178.575 176.094 0.017 0.000 1.065 292 V CA 2.170 64.517 62.300 0.077 0.000 1.049 292 V CB -1.029 30.861 31.823 0.111 0.000 0.651 292 V HN 0.142 nan 8.190 nan 0.000 0.450 293 L N -1.533 119.712 121.223 0.037 0.000 2.109 293 L HA -0.154 4.182 4.340 -0.006 0.000 0.207 293 L C 2.437 179.314 176.870 0.012 0.000 1.086 293 L CA 1.641 56.503 54.840 0.036 0.000 0.760 293 L CB -0.460 41.626 42.059 0.046 0.000 0.910 293 L HN 0.354 nan 8.230 nan 0.000 0.437 294 M N -0.004 119.590 119.600 -0.010 0.000 2.117 294 M HA -0.147 4.329 4.480 -0.006 0.000 0.262 294 M C 2.117 178.337 176.300 -0.133 0.000 1.065 294 M CA 2.161 57.440 55.300 -0.035 0.000 1.114 294 M CB -0.431 32.155 32.600 -0.023 0.000 1.361 294 M HN 0.280 nan 8.290 nan 0.000 0.408 295 G N -0.751 107.807 108.800 -0.404 0.000 2.421 295 G HA2 -0.180 3.777 3.960 -0.006 0.000 0.216 295 G HA3 -0.180 3.777 3.960 -0.006 0.000 0.216 295 G C 1.393 176.203 174.900 -0.151 0.000 1.171 295 G CA 0.828 45.373 45.100 -0.924 0.000 0.775 295 G HN 0.613 nan 8.290 nan 0.000 0.543 296 G N 0.707 109.485 108.800 -0.036 0.000 2.470 296 G HA2 0.119 4.075 3.960 -0.006 0.000 0.220 296 G HA3 0.119 4.075 3.960 -0.006 0.000 0.220 296 G C 1.858 176.756 174.900 -0.002 0.000 1.121 296 G CA 1.414 46.545 45.100 0.051 0.000 0.766 296 G HN 0.649 nan 8.290 nan 0.000 0.553 297 A N 0.807 123.658 122.820 0.050 0.000 1.898 297 A HA 0.184 4.500 4.320 -0.006 0.000 0.214 297 A C 2.276 179.888 177.584 0.046 0.000 1.183 297 A CA 0.961 53.090 52.037 0.153 0.000 0.622 297 A CB -0.123 18.986 19.000 0.180 0.000 0.824 297 A HN 0.245 nan 8.150 nan 0.000 0.444 298 I N 0.255 120.847 120.570 0.037 0.000 2.202 298 I HA -0.129 4.038 4.170 -0.006 0.000 0.242 298 I C 2.715 178.837 176.117 0.008 0.000 1.091 298 I CA 1.469 62.806 61.300 0.062 0.000 1.368 298 I CB -2.157 35.921 38.000 0.130 0.000 1.058 298 I HN 0.305 nan 8.210 nan 0.000 0.410 299 G N 1.244 110.059 108.800 0.024 0.000 2.491 299 G HA2 -0.240 3.716 3.960 -0.006 0.000 0.218 299 G HA3 -0.240 3.716 3.960 -0.006 0.000 0.218 299 G C 1.768 176.538 174.900 -0.216 0.000 1.180 299 G CA 1.080 46.174 45.100 -0.010 0.000 0.774 299 G HN 0.485 nan 8.290 nan 0.000 0.562 300 G N 0.592 109.053 108.800 -0.565 0.000 2.450 300 G HA2 -0.137 3.819 3.960 -0.006 0.000 0.220 300 G HA3 -0.137 3.819 3.960 -0.006 0.000 0.220 300 G C 1.740 176.154 174.900 -0.810 0.000 1.130 300 G CA 1.044 45.393 45.100 -1.251 0.000 0.760 300 G HN 0.477 nan 8.290 nan 0.000 0.557 301 L N 0.184 121.180 121.223 -0.378 0.000 2.201 301 L HA 0.069 4.405 4.340 -0.006 0.000 0.212 301 L C 2.558 179.451 176.870 0.040 0.000 1.105 301 L CA 1.248 56.107 54.840 0.031 0.000 0.775 301 L CB -0.528 41.600 42.059 0.114 0.000 0.913 301 L HN 0.223 nan 8.230 nan 0.000 0.440 302 C N -0.403 118.888 119.300 -0.015 0.000 2.500 302 C HA 0.105 4.561 4.460 -0.006 0.000 0.279 302 C C 2.755 177.766 174.990 0.035 0.000 1.288 302 C CA 0.510 59.544 59.018 0.026 0.000 1.710 302 C CB -1.622 26.134 27.740 0.027 0.000 2.052 302 C HN 0.702 nan 8.230 nan 0.000 0.488 303 G N 0.308 109.105 108.800 -0.005 0.000 2.448 303 G HA2 -0.190 3.767 3.960 -0.006 0.000 0.219 303 G HA3 -0.190 3.767 3.960 -0.006 0.000 0.219 303 G C 1.543 176.493 174.900 0.084 0.000 1.127 303 G CA 0.922 46.035 45.100 0.022 0.000 0.766 303 G HN 0.481 nan 8.290 nan 0.000 0.552 304 L N 0.008 121.295 121.223 0.106 0.000 2.005 304 L HA 0.191 4.527 4.340 -0.006 0.000 0.207 304 L C 2.629 179.633 176.870 0.224 0.000 1.072 304 L CA 1.340 56.297 54.840 0.194 0.000 0.744 304 L CB -0.325 41.894 42.059 0.266 0.000 0.895 304 L HN 0.163 nan 8.230 nan 0.000 0.433 305 L N -0.395 120.933 121.223 0.175 0.000 2.201 305 L HA -0.049 4.287 4.340 -0.006 0.000 0.212 305 L C 2.100 179.061 176.870 0.152 0.000 1.105 305 L CA 0.908 55.847 54.840 0.165 0.000 0.775 305 L CB -0.865 41.270 42.059 0.127 0.000 0.913 305 L HN 0.468 nan 8.230 nan 0.000 0.440 306 G N -1.727 107.158 108.800 0.143 0.000 3.094 306 G HA2 -0.191 3.766 3.960 -0.006 0.000 0.208 306 G HA3 -0.191 3.766 3.960 -0.006 0.000 0.208 306 G C 0.893 175.912 174.900 0.199 0.000 1.189 306 G CA 0.088 45.268 45.100 0.133 0.000 0.856 306 G HN 0.361 nan 8.290 nan 0.000 0.510 307 F N -0.327 119.654 119.950 0.052 0.000 2.570 307 F HA 0.123 4.649 4.527 -0.002 0.000 0.290 307 F C 1.999 177.832 175.800 0.056 0.000 0.910 307 F CA 0.612 58.633 58.000 0.036 0.000 1.119 307 F CB 0.350 39.355 39.000 0.009 0.000 0.922 307 F HN 0.006 nan 8.300 nan 0.000 0.703 308 V N -1.005 118.988 119.914 0.132 0.000 3.506 308 V HA 0.602 4.718 4.120 -0.006 0.000 0.263 308 V C 0.564 176.699 176.094 0.069 0.000 1.203 308 V CA 0.795 63.140 62.300 0.076 0.000 1.133 308 V CB -0.437 31.525 31.823 0.232 0.000 0.802 308 V HN 0.473 nan 8.190 nan 0.000 0.459 309 A N -0.113 122.767 122.820 0.100 0.000 3.024 309 A HA 0.590 4.906 4.320 -0.006 0.000 0.251 309 A C -1.897 175.764 177.584 0.129 0.000 1.267 309 A CA -0.238 51.885 52.037 0.143 0.000 1.050 309 A CB 0.096 19.266 19.000 0.284 0.000 1.400 309 A HN 0.251 nan 8.150 nan 0.000 0.756 310 P HA -0.200 nan 4.420 nan 0.000 0.220 310 P C 1.760 179.108 177.300 0.081 0.000 1.144 310 P CA 1.942 65.092 63.100 0.083 0.000 0.800 310 P CB 0.275 32.016 31.700 0.068 0.000 0.772 311 A N -0.463 122.414 122.820 0.094 0.000 2.019 311 A HA -0.187 4.129 4.320 -0.006 0.000 0.219 311 A C 2.217 179.791 177.584 -0.016 0.000 1.164 311 A CA 2.294 54.360 52.037 0.048 0.000 0.644 311 A CB -1.781 17.233 19.000 0.024 0.000 0.805 311 A HN 0.360 nan 8.150 nan 0.000 0.449 312 T N -3.349 111.204 114.554 -0.002 0.000 2.942 312 T HA 0.088 4.434 4.350 -0.006 0.000 0.265 312 T C 1.310 175.995 174.700 -0.024 0.000 1.062 312 T CA 1.179 63.240 62.100 -0.064 0.000 1.139 312 T CB -0.308 68.519 68.868 -0.068 0.000 0.883 312 T HN 0.363 nan 8.240 nan 0.000 0.468 313 S N -0.432 115.279 115.700 0.018 0.000 2.677 313 S HA 0.628 5.095 4.470 -0.006 0.000 0.290 313 S C 0.753 175.364 174.600 0.018 0.000 1.124 313 S CA 0.236 58.452 58.200 0.028 0.000 1.017 313 S CB 0.557 63.789 63.200 0.053 0.000 1.215 313 S HN 1.498 nan 8.310 nan 0.000 0.524 314 G N -0.244 108.569 108.800 0.022 0.000 2.860 314 G HA2 -0.057 3.899 3.960 -0.006 0.000 0.553 314 G HA3 -0.057 3.899 3.960 -0.006 0.000 0.553 314 G C 0.810 175.698 174.900 -0.021 0.000 1.439 314 G CA 0.012 45.120 45.100 0.014 0.000 0.879 314 G HN 1.541 nan 8.290 nan 0.000 0.545 315 G N -1.052 107.722 108.800 -0.042 0.000 2.450 315 G HA2 0.348 4.304 3.960 -0.006 0.000 0.220 315 G HA3 0.348 4.304 3.960 -0.006 0.000 0.220 315 G C 2.030 176.798 174.900 -0.221 0.000 1.130 315 G CA 2.222 47.236 45.100 -0.143 0.000 0.760 315 G HN 2.757 nan 8.290 nan 0.000 0.557 316 G N -0.882 107.849 108.800 -0.115 0.000 2.278 316 G HA2 -0.254 3.702 3.960 -0.006 0.000 0.210 316 G HA3 -0.254 3.702 3.960 -0.006 0.000 0.210 316 G C 1.193 176.126 174.900 0.056 0.000 1.000 316 G CA 0.361 45.419 45.100 -0.070 0.000 0.635 316 G HN 0.396 nan 8.290 nan 0.000 0.495 317 F N 1.599 121.569 119.950 0.034 0.000 2.287 317 F HA -0.160 4.362 4.527 -0.008 0.000 0.301 317 F C 2.527 178.354 175.800 0.045 0.000 1.069 317 F CA 1.247 59.268 58.000 0.035 0.000 1.372 317 F CB -0.039 38.992 39.000 0.052 0.000 1.056 317 F HN 0.196 nan 8.300 nan 0.000 0.523 318 N N 0.738 119.581 118.700 0.239 0.000 2.171 318 N HA -0.122 4.614 4.740 -0.006 0.000 0.184 318 N C 1.667 177.281 175.510 0.173 0.000 1.021 318 N CA 1.242 54.394 53.050 0.171 0.000 0.854 318 N CB -0.592 37.978 38.487 0.139 0.000 0.994 318 N HN 0.285 nan 8.380 nan 0.000 0.426 319 L N -1.817 119.519 121.223 0.188 0.000 2.492 319 L HA 0.220 4.556 4.340 -0.006 0.000 0.223 319 L C 1.510 178.536 176.870 0.259 0.000 1.132 319 L CA 0.840 55.841 54.840 0.268 0.000 0.850 319 L CB -0.463 41.717 42.059 0.201 0.000 0.966 319 L HN -0.111 nan 8.230 nan 0.000 0.454 320 I N 1.103 121.782 120.570 0.181 0.000 2.113 320 I HA -0.080 4.086 4.170 -0.006 0.000 0.238 320 I C 0.169 176.361 176.117 0.125 0.000 1.070 320 I CA 1.002 62.389 61.300 0.145 0.000 1.332 320 I CB -2.561 35.517 38.000 0.130 0.000 1.044 320 I HN 0.232 nan 8.210 nan 0.000 0.402 321 P HA -0.135 nan 4.420 nan 0.000 0.216 321 P C 1.895 179.223 177.300 0.048 0.000 1.153 321 P CA 1.363 64.495 63.100 0.054 0.000 0.858 321 P CB -0.056 31.665 31.700 0.035 0.000 0.789 322 I N -0.068 120.536 120.570 0.055 0.000 2.226 322 I HA -0.181 3.985 4.170 -0.006 0.000 0.245 322 I C 2.402 178.518 176.117 -0.003 0.000 1.100 322 I CA 1.282 62.547 61.300 -0.058 0.000 1.374 322 I CB -2.006 35.891 38.000 -0.171 0.000 1.057 322 I HN -0.116 nan 8.210 nan 0.000 0.413 323 A N 0.087 123.068 122.820 0.268 0.000 1.873 323 A HA -0.183 4.133 4.320 -0.006 0.000 0.215 323 A C 2.426 180.128 177.584 0.195 0.000 1.186 323 A CA 2.414 54.677 52.037 0.377 0.000 0.616 323 A CB -1.355 17.856 19.000 0.353 0.000 0.823 323 A HN 0.442 nan 8.150 nan 0.000 0.442 324 T N 0.594 115.230 114.554 0.137 0.000 2.720 324 T HA -0.062 4.284 4.350 -0.006 0.000 0.268 324 T C 2.024 176.772 174.700 0.079 0.000 1.037 324 T CA 1.545 63.707 62.100 0.103 0.000 1.144 324 T CB -0.426 68.486 68.868 0.073 0.000 0.864 324 T HN 0.589 nan 8.240 nan 0.000 0.444 325 A N 0.548 123.397 122.820 0.048 0.000 2.209 325 A HA 0.438 4.755 4.320 -0.006 0.000 0.212 325 A C 1.942 179.539 177.584 0.022 0.000 1.158 325 A CA 0.943 52.993 52.037 0.022 0.000 0.742 325 A CB -0.985 18.009 19.000 -0.011 0.000 0.790 325 A HN 0.870 nan 8.150 nan 0.000 0.472 326 G N -0.480 108.347 108.800 0.045 0.000 2.198 326 G HA2 -0.295 3.661 3.960 -0.006 0.000 0.257 326 G HA3 -0.295 3.661 3.960 -0.006 0.000 0.257 326 G C 0.331 175.235 174.900 0.007 0.000 1.042 326 G CA 0.502 45.635 45.100 0.054 0.000 0.791 326 G HN 0.678 nan 8.290 nan 0.000 0.502 327 N N -1.134 117.518 118.700 -0.080 0.000 2.412 327 N HA 0.223 4.959 4.740 -0.006 0.000 0.184 327 N C 0.162 175.525 175.510 -0.246 0.000 1.101 327 N CA -0.120 52.817 53.050 -0.189 0.000 0.881 327 N CB 0.151 38.463 38.487 -0.291 0.000 0.969 327 N HN 0.373 nan 8.380 nan 0.000 0.459 328 F N 1.196 121.168 119.950 0.037 0.000 2.379 328 F HA 0.228 4.748 4.527 -0.011 0.000 0.332 328 F C 1.194 177.014 175.800 0.033 0.000 1.096 328 F CA -1.432 56.593 58.000 0.041 0.000 1.105 328 F CB 0.901 39.936 39.000 0.059 0.000 1.189 328 F HN -0.139 nan 8.300 nan 0.000 0.515 329 S N 2.357 118.208 115.700 0.251 0.000 2.645 329 S HA 0.213 4.679 4.470 -0.006 0.000 0.266 329 S C 1.057 175.729 174.600 0.120 0.000 1.258 329 S CA -0.748 57.533 58.200 0.134 0.000 0.990 329 S CB 0.832 64.088 63.200 0.093 0.000 0.967 329 S HN 0.749 nan 8.310 nan 0.000 0.556 330 M N 2.053 121.692 119.600 0.066 0.000 2.117 330 M HA 0.091 4.567 4.480 -0.006 0.000 0.262 330 M C 1.939 178.267 176.300 0.046 0.000 1.065 330 M CA 2.227 57.552 55.300 0.041 0.000 1.114 330 M CB -1.496 31.109 32.600 0.008 0.000 1.361 330 M HN 0.934 nan 8.290 nan 0.000 0.408 331 G N -0.107 108.721 108.800 0.047 0.000 2.480 331 G HA2 -0.294 3.662 3.960 -0.006 0.000 0.216 331 G HA3 -0.294 3.662 3.960 -0.006 0.000 0.216 331 G C 1.471 176.427 174.900 0.093 0.000 1.200 331 G CA 1.319 46.451 45.100 0.053 0.000 0.782 331 G HN 0.492 nan 8.290 nan 0.000 0.554 332 M N 0.432 120.090 119.600 0.096 0.000 2.144 332 M HA 0.035 4.512 4.480 -0.006 0.000 0.260 332 M C 2.372 178.719 176.300 0.078 0.000 1.067 332 M CA 1.194 56.567 55.300 0.121 0.000 1.095 332 M CB -0.487 32.217 32.600 0.174 0.000 1.365 332 M HN 0.220 nan 8.290 nan 0.000 0.406 333 L N -1.749 119.500 121.223 0.044 0.000 1.994 333 L HA -0.231 4.105 4.340 -0.006 0.000 0.208 333 L C 2.317 179.225 176.870 0.062 0.000 1.071 333 L CA 1.216 56.058 54.840 0.003 0.000 0.745 333 L CB -0.958 41.131 42.059 0.050 0.000 0.892 333 L HN 0.123 nan 8.230 nan 0.000 0.431 334 V N -0.175 119.782 119.914 0.072 0.000 2.324 334 V HA -0.363 3.753 4.120 -0.006 0.000 0.250 334 V C 2.234 178.409 176.094 0.134 0.000 1.060 334 V CA 2.311 64.648 62.300 0.063 0.000 1.042 334 V CB -0.551 31.290 31.823 0.030 0.000 0.650 334 V HN 0.400 nan 8.190 nan 0.000 0.450 335 F N 0.034 119.994 119.950 0.017 0.000 2.102 335 F HA -0.193 4.334 4.527 0.001 0.000 0.298 335 F C 2.167 177.982 175.800 0.024 0.000 1.105 335 F CA 1.739 59.754 58.000 0.025 0.000 1.239 335 F CB -0.165 38.840 39.000 0.008 0.000 0.991 335 F HN 0.057 nan 8.300 nan 0.000 0.474 336 I N 0.245 120.765 120.570 -0.085 0.000 2.208 336 I HA -0.298 3.868 4.170 -0.006 0.000 0.245 336 I C 2.344 178.352 176.117 -0.182 0.000 1.097 336 I CA 1.326 62.489 61.300 -0.228 0.000 1.363 336 I CB -1.705 36.155 38.000 -0.233 0.000 1.051 336 I HN 0.250 nan 8.210 nan 0.000 0.413 337 F N 0.911 120.746 119.950 -0.192 0.000 2.031 337 F HA -0.244 4.278 4.527 -0.008 0.000 0.295 337 F C 2.599 178.322 175.800 -0.128 0.000 1.133 337 F CA 1.796 59.701 58.000 -0.158 0.000 1.188 337 F CB -0.317 38.591 39.000 -0.154 0.000 0.974 337 F HN -0.187 nan 8.300 nan 0.000 0.473 338 V N 0.734 120.819 119.914 0.286 0.000 2.233 338 V HA -0.449 3.667 4.120 -0.006 0.000 0.252 338 V C 2.591 178.709 176.094 0.039 0.000 1.063 338 V CA 2.311 64.720 62.300 0.181 0.000 1.032 338 V CB -1.548 30.334 31.823 0.099 0.000 0.645 338 V HN 0.541 nan 8.190 nan 0.000 0.446 339 A N -0.955 121.757 122.820 -0.181 0.000 2.015 339 A HA -0.177 4.140 4.320 -0.006 0.000 0.219 339 A C 2.330 179.838 177.584 -0.126 0.000 1.163 339 A CA 1.537 53.438 52.037 -0.227 0.000 0.646 339 A CB -0.438 18.229 19.000 -0.554 0.000 0.806 339 A HN 0.546 nan 8.150 nan 0.000 0.448 340 R N -0.912 119.501 120.500 -0.146 0.000 2.075 340 R HA -0.007 4.329 4.340 -0.006 0.000 0.226 340 R C 2.044 178.323 176.300 -0.034 0.000 1.114 340 R CA 1.138 57.165 56.100 -0.123 0.000 0.972 340 R CB -0.587 29.579 30.300 -0.223 0.000 0.869 340 R HN 0.373 nan 8.270 nan 0.000 0.437 341 V N 2.016 121.933 119.914 0.005 0.000 2.252 341 V HA -0.303 3.813 4.120 -0.006 0.000 0.249 341 V C 2.352 178.604 176.094 0.264 0.000 1.056 341 V CA 1.935 64.370 62.300 0.226 0.000 1.022 341 V CB -0.398 31.629 31.823 0.339 0.000 0.641 341 V HN 0.245 nan 8.190 nan 0.000 0.445 342 I N 0.545 121.234 120.570 0.199 0.000 2.091 342 I HA -0.310 3.857 4.170 -0.006 0.000 0.239 342 I C 2.679 178.879 176.117 0.139 0.000 1.061 342 I CA 2.413 63.814 61.300 0.169 0.000 1.317 342 I CB -0.861 37.208 38.000 0.115 0.000 1.031 342 I HN 0.521 nan 8.210 nan 0.000 0.401 343 T N -2.937 111.675 114.554 0.096 0.000 2.951 343 T HA -0.094 4.253 4.350 -0.006 0.000 0.268 343 T C 1.753 176.525 174.700 0.119 0.000 1.073 343 T CA 1.519 63.675 62.100 0.092 0.000 1.134 343 T CB -0.717 68.183 68.868 0.053 0.000 0.884 343 T HN 0.248 nan 8.240 nan 0.000 0.479 344 T N 2.473 117.104 114.554 0.129 0.000 2.737 344 T HA 0.117 4.463 4.350 -0.006 0.000 0.265 344 T C 1.871 176.715 174.700 0.240 0.000 1.038 344 T CA 1.086 63.287 62.100 0.168 0.000 1.144 344 T CB -0.466 68.508 68.868 0.175 0.000 0.866 344 T HN 0.294 nan 8.240 nan 0.000 0.434 345 L N 0.246 121.607 121.223 0.229 0.000 1.961 345 L HA -0.080 4.256 4.340 -0.006 0.000 0.210 345 L C 2.484 179.473 176.870 0.197 0.000 1.072 345 L CA 1.105 56.061 54.840 0.192 0.000 0.749 345 L CB -0.784 41.361 42.059 0.144 0.000 0.889 345 L HN 0.177 nan 8.230 nan 0.000 0.432 346 L N -0.683 120.640 121.223 0.165 0.000 2.151 346 L HA -0.318 4.018 4.340 -0.006 0.000 0.215 346 L C 2.545 179.538 176.870 0.205 0.000 1.084 346 L CA 1.665 56.599 54.840 0.156 0.000 0.764 346 L CB -0.683 41.454 42.059 0.131 0.000 0.891 346 L HN 0.411 nan 8.230 nan 0.000 0.435 347 C N -2.598 116.839 119.300 0.228 0.000 2.519 347 C HA -0.027 4.429 4.460 -0.006 0.000 0.281 347 C C 2.539 177.716 174.990 0.312 0.000 1.331 347 C CA -0.098 59.077 59.018 0.262 0.000 1.725 347 C CB -0.589 27.281 27.740 0.216 0.000 2.079 347 C HN 0.564 nan 8.230 nan 0.000 0.496 348 F N 1.710 121.753 119.950 0.154 0.000 2.188 348 F HA 0.016 4.539 4.527 -0.006 0.000 0.289 348 F C 2.463 178.364 175.800 0.169 0.000 1.082 348 F CA 1.715 59.805 58.000 0.150 0.000 1.282 348 F CB -0.587 38.495 39.000 0.136 0.000 1.060 348 F HN 0.002 nan 8.300 nan 0.000 0.493 349 S N -0.220 115.582 115.700 0.169 0.000 2.442 349 S HA -0.159 4.308 4.470 -0.006 0.000 0.236 349 S C 1.882 176.543 174.600 0.101 0.000 1.007 349 S CA 1.156 59.393 58.200 0.061 0.000 0.965 349 S CB -0.797 62.465 63.200 0.103 0.000 0.773 349 S HN 0.528 nan 8.310 nan 0.000 0.504 350 S N 0.720 116.539 115.700 0.198 0.000 2.701 350 S HA 0.326 4.792 4.470 -0.006 0.000 0.220 350 S C 1.408 176.341 174.600 0.555 0.000 0.954 350 S CA 0.428 58.836 58.200 0.346 0.000 0.936 350 S CB -0.496 62.929 63.200 0.374 0.000 0.777 350 S HN 0.687 nan 8.310 nan 0.000 0.518 351 G N 0.761 109.727 108.800 0.277 0.000 2.187 351 G HA2 -0.179 3.777 3.960 -0.006 0.000 0.261 351 G HA3 -0.179 3.777 3.960 -0.006 0.000 0.261 351 G C 0.313 175.274 174.900 0.101 0.000 1.000 351 G CA 0.063 45.279 45.100 0.193 0.000 0.718 351 G HN 1.357 nan 8.290 nan 0.000 0.519 352 A N 0.778 123.648 122.820 0.084 0.000 2.462 352 A HA 0.615 4.931 4.320 -0.006 0.000 0.243 352 A C -1.085 176.418 177.584 -0.134 0.000 1.076 352 A CA -0.570 51.301 52.037 -0.277 0.000 0.773 352 A CB 0.376 19.194 19.000 -0.304 0.000 1.010 352 A HN 0.286 nan 8.150 nan 0.000 0.493 353 P HA 0.391 nan 4.420 nan 0.000 0.267 353 P C 0.151 177.469 177.300 0.031 0.000 1.205 353 P CA 0.851 63.917 63.100 -0.056 0.000 0.765 353 P CB 0.738 32.397 31.700 -0.068 0.000 0.828 354 G N 1.626 110.481 108.800 0.092 0.000 2.312 354 G HA2 0.375 4.331 3.960 -0.006 0.000 0.322 354 G HA3 0.375 4.331 3.960 -0.006 0.000 0.322 354 G C -0.283 174.761 174.900 0.240 0.000 1.645 354 G CA -0.417 44.766 45.100 0.138 0.000 0.919 354 G HN 0.589 nan 8.290 nan 0.000 0.699 355 G N -0.676 108.225 108.800 0.169 0.000 2.667 355 G HA2 0.522 4.478 3.960 -0.006 0.000 0.250 355 G HA3 0.522 4.478 3.960 -0.006 0.000 0.250 355 G C 0.804 175.765 174.900 0.101 0.000 1.212 355 G CA 0.302 45.526 45.100 0.207 0.000 0.874 355 G HN 1.293 nan 8.290 nan 0.000 0.561 356 I N -0.492 120.043 120.570 -0.059 0.000 4.139 356 I HA 0.316 4.482 4.170 -0.006 0.000 0.335 356 I C 1.724 177.750 176.117 -0.151 0.000 1.327 356 I CA -0.426 60.653 61.300 -0.368 0.000 1.112 356 I CB 0.025 37.354 38.000 -1.118 0.000 1.058 356 I HN 0.512 nan 8.210 nan 0.000 0.396 357 F N 1.198 121.105 119.950 -0.072 0.000 2.065 357 F HA -0.280 4.243 4.527 -0.006 0.000 0.298 357 F C 2.498 178.279 175.800 -0.032 0.000 1.112 357 F CA 2.360 60.360 58.000 0.001 0.000 1.212 357 F CB -0.529 38.555 39.000 0.141 0.000 0.975 357 F HN 0.173 nan 8.300 nan 0.000 0.476 358 A N 0.098 123.040 122.820 0.203 0.000 1.845 358 A HA -0.121 4.196 4.320 -0.006 0.000 0.215 358 A C -0.299 177.175 177.584 -0.184 0.000 1.195 358 A CA 1.748 53.758 52.037 -0.046 0.000 0.616 358 A CB -2.127 16.731 19.000 -0.237 0.000 0.832 358 A HN 0.255 nan 8.150 nan 0.000 0.443 359 P HA -0.113 nan 4.420 nan 0.000 0.223 359 P C 1.463 178.628 177.300 -0.225 0.000 1.144 359 P CA 1.059 64.049 63.100 -0.184 0.000 0.783 359 P CB -0.126 31.495 31.700 -0.131 0.000 0.771 360 M N -1.851 117.603 119.600 -0.244 0.000 2.288 360 M HA -0.055 4.421 4.480 -0.006 0.000 0.266 360 M C 1.806 177.949 176.300 -0.262 0.000 1.072 360 M CA 1.381 56.495 55.300 -0.311 0.000 1.132 360 M CB -0.497 31.878 32.600 -0.375 0.000 1.386 360 M HN -0.024 nan 8.290 nan 0.000 0.432 361 L N -0.478 120.624 121.223 -0.203 0.000 2.027 361 L HA -0.141 4.195 4.340 -0.006 0.000 0.206 361 L C 2.787 179.590 176.870 -0.112 0.000 1.074 361 L CA 1.178 55.928 54.840 -0.150 0.000 0.745 361 L CB -0.892 41.111 42.059 -0.095 0.000 0.898 361 L HN 0.259 nan 8.230 nan 0.000 0.433 362 A N 0.216 122.964 122.820 -0.119 0.000 1.873 362 A HA -0.230 4.086 4.320 -0.006 0.000 0.218 362 A C 2.263 179.752 177.584 -0.158 0.000 1.193 362 A CA 1.795 53.769 52.037 -0.105 0.000 0.629 362 A CB -0.894 18.029 19.000 -0.128 0.000 0.826 362 A HN 0.348 nan 8.150 nan 0.000 0.447 363 L N -0.743 120.323 121.223 -0.262 0.000 2.131 363 L HA -0.104 4.232 4.340 -0.006 0.000 0.210 363 L C 2.754 179.502 176.870 -0.204 0.000 1.092 363 L CA 1.026 55.615 54.840 -0.417 0.000 0.759 363 L CB -0.486 41.208 42.059 -0.610 0.000 0.903 363 L HN 0.511 nan 8.230 nan 0.000 0.435 364 G N -1.318 107.437 108.800 -0.074 0.000 2.402 364 G HA2 -0.209 3.747 3.960 -0.006 0.000 0.216 364 G HA3 -0.209 3.747 3.960 -0.006 0.000 0.216 364 G C 1.534 176.533 174.900 0.166 0.000 1.162 364 G CA 1.134 46.303 45.100 0.116 0.000 0.777 364 G HN 0.292 nan 8.290 nan 0.000 0.539 365 T N 1.118 115.703 114.554 0.052 0.000 2.643 365 T HA -0.142 4.205 4.350 -0.006 0.000 0.264 365 T C 2.499 177.273 174.700 0.123 0.000 1.045 365 T CA 1.367 63.518 62.100 0.084 0.000 1.155 365 T CB -0.517 68.386 68.868 0.058 0.000 0.863 365 T HN 0.022 nan 8.240 nan 0.000 0.420 366 V N 1.498 121.455 119.914 0.072 0.000 2.380 366 V HA -0.140 3.976 4.120 -0.006 0.000 0.251 366 V C 2.400 178.602 176.094 0.179 0.000 1.063 366 V CA 1.431 63.782 62.300 0.087 0.000 1.055 366 V CB -0.665 31.149 31.823 -0.016 0.000 0.657 366 V HN 0.302 nan 8.190 nan 0.000 0.455 367 L N 1.025 122.389 121.223 0.235 0.000 2.044 367 L HA 0.087 4.423 4.340 -0.006 0.000 0.205 367 L C 2.387 179.347 176.870 0.149 0.000 1.075 367 L CA 2.362 57.308 54.840 0.177 0.000 0.747 367 L CB -1.400 40.703 42.059 0.073 0.000 0.903 367 L HN 0.250 nan 8.230 nan 0.000 0.435 368 G N -1.572 107.392 108.800 0.273 0.000 2.440 368 G HA2 -0.278 3.679 3.960 -0.006 0.000 0.218 368 G HA3 -0.278 3.679 3.960 -0.006 0.000 0.218 368 G C 1.406 176.491 174.900 0.308 0.000 1.154 368 G CA 1.325 46.625 45.100 0.334 0.000 0.767 368 G HN 0.440 nan 8.290 nan 0.000 0.552 369 T N 1.850 116.540 114.554 0.228 0.000 2.635 369 T HA -0.091 4.255 4.350 -0.006 0.000 0.267 369 T C 2.810 177.587 174.700 0.128 0.000 1.040 369 T CA 1.858 64.070 62.100 0.186 0.000 1.156 369 T CB -0.535 68.436 68.868 0.173 0.000 0.863 369 T HN 0.405 nan 8.240 nan 0.000 0.430 370 A N 1.156 124.039 122.820 0.106 0.000 1.865 370 A HA -0.075 4.242 4.320 -0.006 0.000 0.217 370 A C 2.067 179.652 177.584 0.002 0.000 1.191 370 A CA 1.718 53.777 52.037 0.037 0.000 0.623 370 A CB -1.122 17.879 19.000 0.001 0.000 0.826 370 A HN 0.492 nan 8.150 nan 0.000 0.444 371 F N 1.178 121.062 119.950 -0.110 0.000 2.171 371 F HA -0.045 4.479 4.527 -0.005 0.000 0.300 371 F C 2.275 177.881 175.800 -0.322 0.000 1.090 371 F CA 1.537 59.426 58.000 -0.184 0.000 1.293 371 F CB -0.591 38.321 39.000 -0.145 0.000 1.013 371 F HN 0.203 nan 8.300 nan 0.000 0.486 372 G N 0.356 109.038 108.800 -0.197 0.000 2.418 372 G HA2 -0.263 3.694 3.960 -0.006 0.000 0.217 372 G HA3 -0.263 3.694 3.960 -0.006 0.000 0.217 372 G C 1.665 176.354 174.900 -0.352 0.000 1.158 372 G CA 1.015 45.844 45.100 -0.451 0.000 0.771 372 G HN 0.397 nan 8.290 nan 0.000 0.545 373 M N -0.017 119.475 119.600 -0.181 0.000 2.086 373 M HA -0.082 4.394 4.480 -0.006 0.000 0.261 373 M C 2.714 178.890 176.300 -0.207 0.000 1.067 373 M CA 1.108 56.327 55.300 -0.136 0.000 1.116 373 M CB -0.384 32.177 32.600 -0.065 0.000 1.348 373 M HN 0.114 nan 8.290 nan 0.000 0.407 374 V N 0.411 120.160 119.914 -0.275 0.000 2.332 374 V HA -0.276 3.840 4.120 -0.006 0.000 0.248 374 V C 2.624 178.503 176.094 -0.358 0.000 1.055 374 V CA 1.994 64.115 62.300 -0.299 0.000 1.038 374 V CB -1.363 30.271 31.823 -0.314 0.000 0.651 374 V HN 0.534 nan 8.190 nan 0.000 0.450 375 A N -0.365 122.124 122.820 -0.552 0.000 1.883 375 A HA -0.195 4.121 4.320 -0.006 0.000 0.217 375 A C 2.465 179.968 177.584 -0.134 0.000 1.186 375 A CA 2.155 53.928 52.037 -0.440 0.000 0.624 375 A CB -0.887 17.478 19.000 -1.059 0.000 0.822 375 A HN 0.289 nan 8.150 nan 0.000 0.444 376 V N 1.022 120.821 119.914 -0.193 0.000 2.250 376 V HA -0.357 3.759 4.120 -0.006 0.000 0.250 376 V C 2.686 178.739 176.094 -0.068 0.000 1.060 376 V CA 2.893 65.151 62.300 -0.070 0.000 1.030 376 V CB -0.735 31.054 31.823 -0.057 0.000 0.643 376 V HN 0.958 nan 8.190 nan 0.000 0.445 377 E N -0.731 119.396 120.200 -0.122 0.000 2.216 377 E HA -0.106 4.240 4.350 -0.006 0.000 0.192 377 E C 2.091 178.561 176.600 -0.217 0.000 0.988 377 E CA 1.032 57.349 56.400 -0.138 0.000 0.834 377 E CB -0.331 29.292 29.700 -0.127 0.000 0.772 377 E HN 0.536 nan 8.360 nan 0.000 0.479 378 L N -0.248 120.778 121.223 -0.327 0.000 2.156 378 L HA 0.057 4.393 4.340 -0.006 0.000 0.208 378 L C 0.386 176.738 176.870 -0.862 0.000 1.095 378 L CA 0.757 55.198 54.840 -0.665 0.000 0.770 378 L CB 0.006 41.496 42.059 -0.949 0.000 0.914 378 L HN 0.159 nan 8.230 nan 0.000 0.439 379 F N -0.460 119.440 119.950 -0.083 0.000 2.622 379 F HA 0.306 4.830 4.527 -0.006 0.000 0.338 379 F C -1.648 174.071 175.800 -0.135 0.000 1.334 379 F CA -1.687 56.257 58.000 -0.092 0.000 1.179 379 F CB 0.279 39.351 39.000 0.121 0.000 1.471 379 F HN -0.168 nan 8.300 nan 0.000 0.576 380 P HA -0.180 nan 4.420 nan 0.000 0.229 380 P C 1.203 178.297 177.300 -0.342 0.000 1.160 380 P CA 1.073 64.077 63.100 -0.159 0.000 0.777 380 P CB 0.274 31.886 31.700 -0.147 0.000 0.814 381 Q N -0.797 118.832 119.800 -0.286 0.000 2.435 381 Q HA -0.125 4.211 4.340 -0.006 0.000 0.207 381 Q C 1.389 177.276 176.000 -0.187 0.000 0.956 381 Q CA 1.109 56.726 55.803 -0.309 0.000 0.917 381 Q CB -1.044 27.556 28.738 -0.229 0.000 0.997 381 Q HN 0.372 nan 8.270 nan 0.000 0.497 382 Y N 0.207 120.499 120.300 -0.013 0.000 2.517 382 Y HA 0.021 4.567 4.550 -0.007 0.000 0.281 382 Y C -0.037 175.966 175.900 0.172 0.000 1.125 382 Y CA 0.122 58.285 58.100 0.106 0.000 1.283 382 Y CB 0.146 38.660 38.460 0.090 0.000 1.042 382 Y HN 0.311 nan 8.280 nan 0.000 0.547 383 H N -0.734 118.469 119.070 0.222 0.000 2.839 383 H HA -0.157 4.395 4.556 -0.007 0.000 0.298 383 H C -0.275 175.146 175.328 0.156 0.000 1.224 383 H CA 0.055 56.192 56.048 0.148 0.000 1.144 383 H CB -2.174 27.656 29.762 0.114 0.000 1.372 383 H HN 0.213 nan 8.280 nan 0.000 0.408 384 L N 0.422 121.787 121.223 0.238 0.000 2.482 384 L HA 0.103 4.439 4.340 -0.006 0.000 0.273 384 L C 1.033 178.027 176.870 0.206 0.000 1.228 384 L CA 0.776 55.766 54.840 0.251 0.000 0.827 384 L CB 0.460 42.660 42.059 0.234 0.000 1.099 384 L HN 0.423 nan 8.230 nan 0.000 0.494 385 E N 0.645 120.991 120.200 0.243 0.000 2.255 385 E HA 0.287 4.633 4.350 -0.006 0.000 0.256 385 E C 0.322 177.085 176.600 0.270 0.000 0.887 385 E CA -0.341 56.173 56.400 0.191 0.000 0.782 385 E CB 1.738 31.522 29.700 0.140 0.000 1.214 385 E HN 0.706 nan 8.360 nan 0.000 0.417 386 A N 3.616 126.563 122.820 0.212 0.000 1.971 386 A HA -0.242 4.074 4.320 -0.006 0.000 0.222 386 A C 1.888 179.659 177.584 0.310 0.000 1.182 386 A CA 2.212 54.396 52.037 0.245 0.000 0.649 386 A CB -0.852 18.218 19.000 0.117 0.000 0.818 386 A HN 0.751 nan 8.150 nan 0.000 0.458 387 G N -0.956 107.968 108.800 0.206 0.000 2.501 387 G HA2 -0.177 3.779 3.960 -0.006 0.000 0.220 387 G HA3 -0.177 3.779 3.960 -0.006 0.000 0.220 387 G C 1.595 176.577 174.900 0.137 0.000 1.114 387 G CA 1.949 47.142 45.100 0.156 0.000 0.757 387 G HN 0.749 nan 8.290 nan 0.000 0.559 388 T N -1.557 113.086 114.554 0.148 0.000 2.896 388 T HA 0.021 4.367 4.350 -0.006 0.000 0.263 388 T C 2.034 176.745 174.700 0.018 0.000 1.050 388 T CA 0.665 62.772 62.100 0.011 0.000 1.140 388 T CB -0.402 68.419 68.868 -0.078 0.000 0.877 388 T HN 0.159 nan 8.240 nan 0.000 0.457 389 F N 2.136 122.237 119.950 0.251 0.000 2.325 389 F HA 0.367 4.890 4.527 -0.005 0.000 0.299 389 F C 2.874 178.799 175.800 0.208 0.000 1.090 389 F CA 0.381 58.559 58.000 0.297 0.000 1.392 389 F CB -0.704 38.447 39.000 0.251 0.000 1.053 389 F HN 0.248 nan 8.300 nan 0.000 0.521 390 A N 0.050 123.058 122.820 0.314 0.000 1.930 390 A HA -0.116 4.200 4.320 -0.006 0.000 0.217 390 A C 2.003 179.656 177.584 0.114 0.000 1.175 390 A CA 1.573 53.733 52.037 0.205 0.000 0.627 390 A CB -0.759 18.343 19.000 0.170 0.000 0.815 390 A HN 0.255 nan 8.150 nan 0.000 0.443 391 I N -0.359 120.251 120.570 0.066 0.000 2.716 391 I HA -0.012 4.154 4.170 -0.006 0.000 0.259 391 I C 2.665 178.746 176.117 -0.059 0.000 1.172 391 I CA 0.787 62.080 61.300 -0.012 0.000 1.478 391 I CB -0.499 37.477 38.000 -0.041 0.000 1.104 391 I HN 0.281 nan 8.210 nan 0.000 0.439 392 A N 0.136 122.933 122.820 -0.038 0.000 1.968 392 A HA 0.044 4.360 4.320 -0.006 0.000 0.217 392 A C 2.386 179.921 177.584 -0.081 0.000 1.169 392 A CA 1.455 53.446 52.037 -0.078 0.000 0.638 392 A CB -1.217 17.772 19.000 -0.019 0.000 0.812 392 A HN 0.401 nan 8.150 nan 0.000 0.446 393 G N -1.137 107.673 108.800 0.016 0.000 2.712 393 G HA2 -0.013 3.943 3.960 -0.006 0.000 0.212 393 G HA3 -0.013 3.943 3.960 -0.006 0.000 0.212 393 G C 1.433 176.187 174.900 -0.243 0.000 1.142 393 G CA 0.771 45.840 45.100 -0.051 0.000 0.789 393 G HN 0.462 nan 8.290 nan 0.000 0.535 394 M N 0.895 120.410 119.600 -0.143 0.000 2.065 394 M HA 0.015 4.491 4.480 -0.006 0.000 0.259 394 M C 2.315 178.473 176.300 -0.237 0.000 1.071 394 M CA 1.993 57.206 55.300 -0.145 0.000 1.109 394 M CB -0.138 32.404 32.600 -0.096 0.000 1.313 394 M HN 0.174 nan 8.290 nan 0.000 0.408 395 G N -1.393 107.255 108.800 -0.254 0.000 3.141 395 G HA2 0.293 4.249 3.960 -0.006 0.000 0.218 395 G HA3 0.293 4.249 3.960 -0.006 0.000 0.218 395 G C 1.178 175.864 174.900 -0.356 0.000 1.170 395 G CA 0.532 45.477 45.100 -0.259 0.000 0.769 395 G HN 0.603 nan 8.290 nan 0.000 0.546 396 A N 0.473 122.950 122.820 -0.573 0.000 1.930 396 A HA 0.182 4.499 4.320 -0.006 0.000 0.215 396 A C 2.143 179.306 177.584 -0.701 0.000 1.176 396 A CA 0.595 52.151 52.037 -0.802 0.000 0.632 396 A CB -0.288 17.816 19.000 -1.493 0.000 0.819 396 A HN 0.326 nan 8.150 nan 0.000 0.445 397 L N -0.029 120.805 121.223 -0.648 0.000 2.141 397 L HA -0.065 4.271 4.340 -0.006 0.000 0.209 397 L C 2.234 178.938 176.870 -0.276 0.000 1.094 397 L CA 1.384 56.072 54.840 -0.254 0.000 0.763 397 L CB -0.743 41.222 42.059 -0.156 0.000 0.908 397 L HN 0.419 nan 8.230 nan 0.000 0.437 398 L N -0.506 120.513 121.223 -0.340 0.000 2.191 398 L HA -0.155 4.181 4.340 -0.006 0.000 0.212 398 L C 2.401 179.132 176.870 -0.232 0.000 1.103 398 L CA 1.080 55.709 54.840 -0.352 0.000 0.769 398 L CB -0.527 41.319 42.059 -0.355 0.000 0.908 398 L HN 0.266 nan 8.230 nan 0.000 0.438 399 A N -1.113 121.584 122.820 -0.206 0.000 2.238 399 A HA 0.343 4.659 4.320 -0.006 0.000 0.210 399 A C 2.091 179.611 177.584 -0.106 0.000 1.179 399 A CA 0.935 52.890 52.037 -0.136 0.000 0.827 399 A CB -0.069 18.845 19.000 -0.143 0.000 0.856 399 A HN 0.339 nan 8.150 nan 0.000 0.488 400 A N -1.657 121.099 122.820 -0.106 0.000 2.070 400 A HA 0.335 4.651 4.320 -0.006 0.000 0.202 400 A C 2.090 179.649 177.584 -0.042 0.000 1.277 400 A CA 1.255 53.267 52.037 -0.041 0.000 0.872 400 A CB -0.072 18.956 19.000 0.046 0.000 0.933 400 A HN 0.298 nan 8.150 nan 0.000 0.475 401 S N -0.306 115.342 115.700 -0.086 0.000 2.444 401 S HA 0.157 4.623 4.470 -0.006 0.000 0.223 401 S C 1.495 176.010 174.600 -0.142 0.000 1.054 401 S CA 0.624 58.767 58.200 -0.094 0.000 0.947 401 S CB -0.093 63.046 63.200 -0.102 0.000 0.850 401 S HN 0.341 nan 8.310 nan 0.000 0.527 402 I N 1.415 121.858 120.570 -0.212 0.000 3.059 402 I HA 0.180 4.346 4.170 -0.006 0.000 0.270 402 I C 0.368 176.461 176.117 -0.040 0.000 1.238 402 I CA 0.596 61.773 61.300 -0.205 0.000 1.478 402 I CB -0.794 37.022 38.000 -0.308 0.000 1.097 402 I HN 0.246 nan 8.210 nan 0.000 0.455 403 R N 0.468 120.939 120.500 -0.049 0.000 3.641 403 R HA -0.187 4.149 4.340 -0.006 0.000 0.286 403 R C 0.321 176.638 176.300 0.028 0.000 1.153 403 R CA 0.803 56.895 56.100 -0.013 0.000 0.775 403 R CB -2.653 27.649 30.300 0.004 0.000 1.215 403 R HN 0.365 nan 8.270 nan 0.000 0.474 404 A N 0.484 123.333 122.820 0.050 0.000 2.923 404 A HA 0.476 4.793 4.320 -0.006 0.000 0.343 404 A C -1.009 176.612 177.584 0.062 0.000 1.199 404 A CA -1.127 50.976 52.037 0.110 0.000 0.878 404 A CB 0.811 19.979 19.000 0.280 0.000 1.104 404 A HN -0.043 nan 8.150 nan 0.000 0.483 405 P HA -0.157 nan 4.420 nan 0.000 0.214 405 P C 1.557 178.859 177.300 0.004 0.000 1.162 405 P CA 0.604 63.692 63.100 -0.021 0.000 0.874 405 P CB 0.219 31.897 31.700 -0.037 0.000 0.784 406 L N -0.066 121.172 121.223 0.025 0.000 2.127 406 L HA -0.106 4.230 4.340 -0.006 0.000 0.211 406 L C 2.206 179.114 176.870 0.063 0.000 1.089 406 L CA 2.103 56.965 54.840 0.036 0.000 0.757 406 L CB -1.733 40.349 42.059 0.038 0.000 0.899 406 L HN -0.044 nan 8.230 nan 0.000 0.434 407 T N -1.265 113.356 114.554 0.112 0.000 2.851 407 T HA -0.017 4.329 4.350 -0.006 0.000 0.262 407 T C 1.651 176.420 174.700 0.115 0.000 1.043 407 T CA 1.022 63.221 62.100 0.165 0.000 1.140 407 T CB -0.547 68.528 68.868 0.344 0.000 0.872 407 T HN 0.533 nan 8.240 nan 0.000 0.446 408 G N 1.631 110.476 108.800 0.075 0.000 2.402 408 G HA2 -0.117 3.839 3.960 -0.006 0.000 0.216 408 G HA3 -0.117 3.839 3.960 -0.006 0.000 0.216 408 G C 1.457 176.331 174.900 -0.043 0.000 1.162 408 G CA 0.313 45.412 45.100 -0.001 0.000 0.777 408 G HN 0.336 nan 8.290 nan 0.000 0.539 409 I N 1.167 121.713 120.570 -0.039 0.000 2.202 409 I HA -0.044 4.123 4.170 -0.006 0.000 0.242 409 I C 2.645 178.747 176.117 -0.025 0.000 1.091 409 I CA 0.660 61.930 61.300 -0.051 0.000 1.368 409 I CB -0.687 37.284 38.000 -0.049 0.000 1.058 409 I HN 0.083 nan 8.210 nan 0.000 0.410 410 I N 0.168 120.740 120.570 0.003 0.000 2.546 410 I HA -0.220 3.946 4.170 -0.006 0.000 0.255 410 I C 2.491 178.606 176.117 -0.005 0.000 1.163 410 I CA 0.952 62.258 61.300 0.011 0.000 1.457 410 I CB -0.784 37.232 38.000 0.026 0.000 1.092 410 I HN 0.171 nan 8.210 nan 0.000 0.434 411 L N 0.221 121.440 121.223 -0.007 0.000 1.994 411 L HA -0.181 4.155 4.340 -0.006 0.000 0.208 411 L C 2.529 179.345 176.870 -0.089 0.000 1.071 411 L CA 1.609 56.426 54.840 -0.038 0.000 0.745 411 L CB -0.479 41.565 42.059 -0.024 0.000 0.892 411 L HN -0.063 nan 8.230 nan 0.000 0.431 412 V N -0.479 119.381 119.914 -0.090 0.000 2.233 412 V HA -0.338 3.778 4.120 -0.006 0.000 0.247 412 V C 2.481 178.533 176.094 -0.070 0.000 1.050 412 V CA 2.056 64.297 62.300 -0.098 0.000 1.010 412 V CB -0.680 31.081 31.823 -0.102 0.000 0.637 412 V HN 0.524 nan 8.190 nan 0.000 0.444 413 L N 0.093 121.291 121.223 -0.042 0.000 2.051 413 L HA -0.274 4.063 4.340 -0.006 0.000 0.214 413 L C 2.445 179.307 176.870 -0.013 0.000 1.076 413 L CA 2.204 57.040 54.840 -0.006 0.000 0.758 413 L CB -0.617 41.466 42.059 0.039 0.000 0.890 413 L HN 0.403 nan 8.230 nan 0.000 0.433 414 E N -1.337 118.847 120.200 -0.027 0.000 2.268 414 E HA -0.191 4.155 4.350 -0.006 0.000 0.195 414 E C 2.067 178.638 176.600 -0.047 0.000 0.995 414 E CA 1.401 57.782 56.400 -0.031 0.000 0.836 414 E CB -0.056 29.625 29.700 -0.032 0.000 0.763 414 E HN 0.609 nan 8.360 nan 0.000 0.491 415 M N -0.621 118.936 119.600 -0.073 0.000 2.552 415 M HA -0.034 4.442 4.480 -0.006 0.000 0.264 415 M C 2.386 178.639 176.300 -0.079 0.000 1.159 415 M CA 1.132 56.373 55.300 -0.099 0.000 1.176 415 M CB 0.336 32.836 32.600 -0.167 0.000 1.327 415 M HN 0.074 nan 8.290 nan 0.000 0.481 416 T N -3.712 110.803 114.554 -0.065 0.000 3.044 416 T HA -0.008 4.338 4.350 -0.006 0.000 0.255 416 T C 0.725 175.409 174.700 -0.027 0.000 1.073 416 T CA 0.311 62.382 62.100 -0.048 0.000 1.125 416 T CB -0.066 68.774 68.868 -0.048 0.000 0.908 416 T HN 0.334 nan 8.240 nan 0.000 0.480 417 D N 1.995 122.385 120.400 -0.017 0.000 2.737 417 D HA -0.159 4.477 4.640 -0.006 0.000 0.238 417 D C -0.836 175.473 176.300 0.015 0.000 1.157 417 D CA 0.335 54.339 54.000 0.005 0.000 0.694 417 D CB -1.880 38.921 40.800 0.001 0.000 1.021 417 D HN 0.619 nan 8.370 nan 0.000 0.420 418 N N 1.064 119.771 118.700 0.010 0.000 2.818 418 N HA 0.007 4.743 4.740 -0.006 0.000 0.301 418 N C 0.655 176.159 175.510 -0.010 0.000 1.821 418 N CA -0.412 52.634 53.050 -0.007 0.000 0.930 418 N CB 0.236 38.696 38.487 -0.044 0.000 1.263 418 N HN 0.270 nan 8.380 nan 0.000 0.487 419 Y N 2.351 122.615 120.300 -0.059 0.000 2.315 419 Y HA -0.261 4.286 4.550 -0.006 0.000 0.288 419 Y C 2.170 178.026 175.900 -0.074 0.000 1.154 419 Y CA 1.869 59.931 58.100 -0.063 0.000 1.229 419 Y CB 0.307 38.739 38.460 -0.047 0.000 0.980 419 Y HN 0.337 nan 8.280 nan 0.000 0.540 420 Q N -0.059 119.634 119.800 -0.178 0.000 2.364 420 Q HA -0.098 4.238 4.340 -0.006 0.000 0.209 420 Q C 1.269 177.090 176.000 -0.300 0.000 0.977 420 Q CA 1.646 57.311 55.803 -0.230 0.000 0.885 420 Q CB -0.818 27.860 28.738 -0.099 0.000 0.941 420 Q HN 0.557 nan 8.270 nan 0.000 0.464 421 L N -0.112 120.930 121.223 -0.302 0.000 2.685 421 L HA 0.195 4.531 4.340 -0.006 0.000 0.233 421 L C 1.244 177.877 176.870 -0.396 0.000 1.173 421 L CA -0.295 54.340 54.840 -0.341 0.000 0.961 421 L CB -0.044 41.846 42.059 -0.282 0.000 1.217 421 L HN 0.205 nan 8.230 nan 0.000 0.478 422 I N 0.138 120.415 120.570 -0.488 0.000 2.163 422 I HA -0.311 3.855 4.170 -0.006 0.000 0.243 422 I C 2.102 178.020 176.117 -0.331 0.000 1.085 422 I CA 1.763 62.796 61.300 -0.445 0.000 1.347 422 I CB 0.082 37.655 38.000 -0.711 0.000 1.044 422 I HN 0.154 nan 8.210 nan 0.000 0.408 423 L N 0.832 121.853 121.223 -0.336 0.000 1.970 423 L HA -0.136 4.200 4.340 -0.006 0.000 0.212 423 L C -0.336 176.339 176.870 -0.324 0.000 1.071 423 L CA 2.501 57.182 54.840 -0.265 0.000 0.751 423 L CB -2.240 39.690 42.059 -0.216 0.000 0.889 423 L HN 0.169 nan 8.230 nan 0.000 0.432 424 P HA -0.193 nan 4.420 nan 0.000 0.216 424 P C 2.043 179.026 177.300 -0.528 0.000 1.150 424 P CA 1.594 64.173 63.100 -0.867 0.000 0.843 424 P CB -0.067 30.584 31.700 -1.748 0.000 0.787 425 M N -2.068 117.289 119.600 -0.404 0.000 2.099 425 M HA -0.141 4.335 4.480 -0.006 0.000 0.262 425 M C 1.765 177.955 176.300 -0.183 0.000 1.067 425 M CA 1.709 56.854 55.300 -0.259 0.000 1.124 425 M CB -0.775 31.694 32.600 -0.219 0.000 1.353 425 M HN -0.098 nan 8.290 nan 0.000 0.410 426 I N 0.626 121.096 120.570 -0.166 0.000 2.142 426 I HA -0.249 3.917 4.170 -0.006 0.000 0.240 426 I C 2.242 178.303 176.117 -0.093 0.000 1.078 426 I CA 1.586 62.819 61.300 -0.111 0.000 1.343 426 I CB -0.727 37.219 38.000 -0.091 0.000 1.046 426 I HN 0.210 nan 8.210 nan 0.000 0.405 427 I N -0.158 120.354 120.570 -0.097 0.000 2.208 427 I HA -0.340 3.826 4.170 -0.006 0.000 0.245 427 I C 2.379 178.483 176.117 -0.023 0.000 1.097 427 I CA 1.718 62.991 61.300 -0.044 0.000 1.363 427 I CB -0.740 37.248 38.000 -0.019 0.000 1.051 427 I HN 0.254 nan 8.210 nan 0.000 0.413 428 T N 0.362 114.894 114.554 -0.035 0.000 2.708 428 T HA -0.120 4.226 4.350 -0.006 0.000 0.266 428 T C 1.959 176.615 174.700 -0.072 0.000 1.037 428 T CA 1.512 63.602 62.100 -0.017 0.000 1.146 428 T CB -0.859 68.003 68.868 -0.010 0.000 0.865 428 T HN 0.577 nan 8.240 nan 0.000 0.435 429 G N 1.320 110.052 108.800 -0.114 0.000 2.446 429 G HA2 -0.165 3.791 3.960 -0.006 0.000 0.217 429 G HA3 -0.165 3.791 3.960 -0.006 0.000 0.217 429 G C 1.497 176.342 174.900 -0.093 0.000 1.168 429 G CA 0.616 45.638 45.100 -0.131 0.000 0.771 429 G HN 0.351 nan 8.290 nan 0.000 0.551 430 L N 1.443 122.624 121.223 -0.069 0.000 2.093 430 L HA 0.155 4.491 4.340 -0.006 0.000 0.208 430 L C 2.936 179.769 176.870 -0.062 0.000 1.085 430 L CA 1.816 56.621 54.840 -0.058 0.000 0.755 430 L CB -0.821 41.214 42.059 -0.039 0.000 0.904 430 L HN 0.218 nan 8.230 nan 0.000 0.435 431 G N -1.507 107.268 108.800 -0.041 0.000 2.432 431 G HA2 -0.219 3.737 3.960 -0.006 0.000 0.219 431 G HA3 -0.219 3.737 3.960 -0.006 0.000 0.219 431 G C 1.599 176.474 174.900 -0.041 0.000 1.135 431 G CA 0.707 45.789 45.100 -0.029 0.000 0.767 431 G HN 0.534 nan 8.290 nan 0.000 0.550 432 A N 0.470 123.267 122.820 -0.037 0.000 1.968 432 A HA 0.077 4.393 4.320 -0.006 0.000 0.217 432 A C 2.542 180.089 177.584 -0.063 0.000 1.169 432 A CA 2.237 54.264 52.037 -0.017 0.000 0.638 432 A CB -0.589 18.392 19.000 -0.031 0.000 0.812 432 A HN 0.321 nan 8.150 nan 0.000 0.446 433 T N 0.075 114.572 114.554 -0.095 0.000 2.851 433 T HA 0.033 4.380 4.350 -0.006 0.000 0.262 433 T C 1.817 176.396 174.700 -0.202 0.000 1.043 433 T CA 1.100 63.133 62.100 -0.113 0.000 1.140 433 T CB -0.344 68.471 68.868 -0.089 0.000 0.872 433 T HN 0.293 nan 8.240 nan 0.000 0.446 434 L N 0.313 121.377 121.223 -0.265 0.000 2.093 434 L HA 0.040 4.376 4.340 -0.006 0.000 0.208 434 L C 2.403 178.790 176.870 -0.804 0.000 1.085 434 L CA 0.812 55.318 54.840 -0.556 0.000 0.755 434 L CB -0.365 41.455 42.059 -0.398 0.000 0.904 434 L HN 0.235 nan 8.230 nan 0.000 0.435 435 L N -0.856 120.148 121.223 -0.365 0.000 2.375 435 L HA 0.027 4.363 4.340 -0.006 0.000 0.215 435 L C 2.591 179.399 176.870 -0.105 0.000 1.108 435 L CA 1.001 55.721 54.840 -0.200 0.000 0.830 435 L CB -0.806 41.231 42.059 -0.037 0.000 0.959 435 L HN 0.181 nan 8.230 nan 0.000 0.457 436 A N -0.882 121.874 122.820 -0.107 0.000 2.066 436 A HA -0.190 4.126 4.320 -0.006 0.000 0.218 436 A C 2.189 179.750 177.584 -0.039 0.000 1.157 436 A CA 0.943 52.954 52.037 -0.043 0.000 0.670 436 A CB -0.195 18.786 19.000 -0.032 0.000 0.804 436 A HN 0.440 nan 8.150 nan 0.000 0.453 437 Q N -1.226 118.500 119.800 -0.123 0.000 2.062 437 Q HA -0.064 4.272 4.340 -0.006 0.000 0.196 437 Q C 0.947 177.049 176.000 0.171 0.000 0.967 437 Q CA 1.163 56.948 55.803 -0.030 0.000 0.832 437 Q CB -0.080 28.586 28.738 -0.120 0.000 0.899 437 Q HN 0.609 nan 8.270 nan 0.000 0.442 438 F N 0.220 120.192 119.950 0.037 0.000 2.802 438 F HA 0.061 4.584 4.527 -0.006 0.000 0.300 438 F C 1.661 177.483 175.800 0.036 0.000 1.168 438 F CA 0.909 58.930 58.000 0.036 0.000 1.433 438 F CB -0.424 38.597 39.000 0.036 0.000 1.115 438 F HN 0.104 nan 8.300 nan 0.000 0.582 439 T N -3.831 110.833 114.554 0.184 0.000 3.215 439 T HA 0.466 4.812 4.350 -0.006 0.000 0.271 439 T C 1.435 176.191 174.700 0.094 0.000 1.012 439 T CA 0.154 62.328 62.100 0.123 0.000 0.899 439 T CB -0.013 68.912 68.868 0.096 0.000 1.089 439 T HN 0.361 nan 8.240 nan 0.000 0.552 440 G N 0.568 109.431 108.800 0.105 0.000 2.198 440 G HA2 -0.075 3.881 3.960 -0.006 0.000 0.260 440 G HA3 -0.075 3.881 3.960 -0.006 0.000 0.260 440 G C 0.425 175.363 174.900 0.064 0.000 1.025 440 G CA -0.240 44.910 45.100 0.084 0.000 0.769 440 G HN 1.062 nan 8.290 nan 0.000 0.507 441 G N -0.677 108.156 108.800 0.055 0.000 2.476 441 G HA2 0.620 4.577 3.960 -0.006 0.000 0.286 441 G HA3 0.620 4.577 3.960 -0.006 0.000 0.286 441 G C -0.039 174.886 174.900 0.042 0.000 1.177 441 G CA -0.551 44.573 45.100 0.040 0.000 0.870 441 G HN 0.469 nan 8.290 nan 0.000 0.528 442 K N 1.082 121.506 120.400 0.039 0.000 2.318 442 K HA 0.348 4.664 4.320 -0.006 0.000 0.249 442 K C -2.850 173.776 176.600 0.043 0.000 0.942 442 K CA -1.897 54.421 56.287 0.052 0.000 0.808 442 K CB 2.514 35.051 32.500 0.062 0.000 1.189 442 K HN 0.124 nan 8.250 nan 0.000 0.428 443 P HA -0.092 nan 4.420 nan 0.000 0.256 443 P C 0.899 178.235 177.300 0.060 0.000 1.189 443 P CA 0.031 63.165 63.100 0.057 0.000 0.808 443 P CB 0.207 31.966 31.700 0.098 0.000 0.793 444 L N 3.444 124.651 121.223 -0.026 0.000 2.261 444 L HA -0.164 4.172 4.340 -0.006 0.000 0.216 444 L C 1.213 178.101 176.870 0.029 0.000 1.114 444 L CA 1.902 56.712 54.840 -0.050 0.000 0.777 444 L CB -0.601 41.356 42.059 -0.169 0.000 0.910 444 L HN 0.341 nan 8.230 nan 0.000 0.440 445 F N -0.966 119.066 119.950 0.137 0.000 2.335 445 F HA -0.108 4.415 4.527 -0.006 0.000 0.296 445 F C 2.528 178.401 175.800 0.122 0.000 1.091 445 F CA 0.572 58.665 58.000 0.155 0.000 1.399 445 F CB 0.105 39.215 39.000 0.183 0.000 1.067 445 F HN 0.051 nan 8.300 nan 0.000 0.520 446 S N 0.349 116.220 115.700 0.286 0.000 2.345 446 S HA -0.148 4.318 4.470 -0.006 0.000 0.219 446 S C 2.340 177.042 174.600 0.170 0.000 1.031 446 S CA 0.982 59.307 58.200 0.208 0.000 0.984 446 S CB -0.619 62.698 63.200 0.195 0.000 0.874 446 S HN 0.351 nan 8.310 nan 0.000 0.451 447 A N 1.505 124.413 122.820 0.146 0.000 1.948 447 A HA -0.141 4.175 4.320 -0.006 0.000 0.220 447 A C 2.032 179.684 177.584 0.113 0.000 1.177 447 A CA 1.570 53.673 52.037 0.111 0.000 0.636 447 A CB -0.832 18.221 19.000 0.088 0.000 0.815 447 A HN 0.536 nan 8.150 nan 0.000 0.449 448 I N -1.350 119.312 120.570 0.153 0.000 2.500 448 I HA -0.126 4.041 4.170 -0.006 0.000 0.252 448 I C 2.306 178.497 176.117 0.123 0.000 1.142 448 I CA 0.620 62.006 61.300 0.144 0.000 1.451 448 I CB -0.255 37.864 38.000 0.199 0.000 1.093 448 I HN 0.327 nan 8.210 nan 0.000 0.430 449 L N 1.492 122.800 121.223 0.142 0.000 2.046 449 L HA -0.125 4.212 4.340 -0.006 0.000 0.208 449 L C 2.605 179.524 176.870 0.081 0.000 1.077 449 L CA 2.090 56.994 54.840 0.107 0.000 0.747 449 L CB -0.731 41.398 42.059 0.115 0.000 0.896 449 L HN 0.197 nan 8.230 nan 0.000 0.432 450 A N -0.637 122.234 122.820 0.084 0.000 1.902 450 A HA -0.186 4.130 4.320 -0.006 0.000 0.217 450 A C 2.380 179.990 177.584 0.044 0.000 1.181 450 A CA 1.489 53.561 52.037 0.059 0.000 0.623 450 A CB -0.501 18.534 19.000 0.058 0.000 0.818 450 A HN 0.444 nan 8.150 nan 0.000 0.443 451 R N -0.783 119.746 120.500 0.048 0.000 2.075 451 R HA -0.081 4.255 4.340 -0.006 0.000 0.232 451 R C 2.190 178.505 176.300 0.024 0.000 1.126 451 R CA 1.862 57.980 56.100 0.030 0.000 0.963 451 R CB -1.065 29.252 30.300 0.029 0.000 0.858 451 R HN 0.563 nan 8.270 nan 0.000 0.435 452 T N 1.702 116.277 114.554 0.035 0.000 2.812 452 T HA -0.076 4.271 4.350 -0.006 0.000 0.264 452 T C 1.798 176.514 174.700 0.027 0.000 1.042 452 T CA 0.676 62.793 62.100 0.029 0.000 1.140 452 T CB -0.131 68.760 68.868 0.037 0.000 0.870 452 T HN -0.009 nan 8.240 nan 0.000 0.445 453 L N 1.026 122.269 121.223 0.032 0.000 2.156 453 L HA 0.226 4.562 4.340 -0.006 0.000 0.208 453 L C 2.585 179.467 176.870 0.021 0.000 1.095 453 L CA 1.161 56.017 54.840 0.028 0.000 0.770 453 L CB -1.006 41.073 42.059 0.033 0.000 0.914 453 L HN 0.237 nan 8.230 nan 0.000 0.439 454 A N -1.387 121.445 122.820 0.019 0.000 1.930 454 A HA -0.139 4.177 4.320 -0.006 0.000 0.215 454 A C 2.269 179.860 177.584 0.011 0.000 1.176 454 A CA 1.047 53.092 52.037 0.013 0.000 0.632 454 A CB -0.309 18.698 19.000 0.011 0.000 0.819 454 A HN 0.313 nan 8.150 nan 0.000 0.445 455 K N -0.648 119.759 120.400 0.010 0.000 2.362 455 K HA -0.094 4.222 4.320 -0.006 0.000 0.200 455 K C 2.064 178.672 176.600 0.013 0.000 1.046 455 K CA 1.091 57.382 56.287 0.008 0.000 0.952 455 K CB -0.015 32.485 32.500 -0.000 0.000 0.753 455 K HN 0.614 nan 8.250 nan 0.000 0.466 456 Q N 0.354 120.163 119.800 0.015 0.000 2.250 456 Q HA -0.060 4.276 4.340 -0.006 0.000 0.200 456 Q C 1.474 177.483 176.000 0.016 0.000 0.941 456 Q CA 0.723 56.536 55.803 0.017 0.000 0.872 456 Q CB 0.418 29.168 28.738 0.019 0.000 0.965 456 Q HN 0.267 nan 8.270 nan 0.000 0.480 457 E N -0.363 119.846 120.200 0.014 0.000 2.152 457 E HA -0.068 4.278 4.350 -0.006 0.000 0.192 457 E C 1.193 177.800 176.600 0.011 0.000 0.983 457 E CA 0.665 57.072 56.400 0.012 0.000 0.818 457 E CB 0.134 29.840 29.700 0.010 0.000 0.758 457 E HN 0.292 nan 8.360 nan 0.000 0.467 458 A N 1.708 124.535 122.820 0.011 0.000 2.261 458 A HA -0.082 4.234 4.320 -0.006 0.000 0.208 458 A C 0.389 177.981 177.584 0.013 0.000 1.223 458 A CA 0.267 52.310 52.037 0.011 0.000 0.833 458 A CB -0.394 18.612 19.000 0.009 0.000 0.830 458 A HN 0.255 nan 8.150 nan 0.000 0.483 459 E N -0.106 120.103 120.200 0.015 0.000 3.303 459 E HA 0.472 4.818 4.350 -0.006 0.000 0.215 459 E C -0.579 176.030 176.600 0.016 0.000 1.181 459 E CA -0.505 55.905 56.400 0.017 0.000 0.998 459 E CB 0.288 30.001 29.700 0.022 0.000 1.312 459 E HN 0.467 nan 8.360 nan 0.000 0.412 460 Q N 0.000 119.808 119.800 0.013 0.000 2.315 460 Q HA 0.000 4.336 4.340 -0.006 0.000 0.214 460 Q CA 0.000 55.810 55.803 0.012 0.000 1.022 460 Q CB 0.000 28.745 28.738 0.011 0.000 1.108 460 Q HN 0.000 nan 8.270 nan 0.000 0.481