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 2d73_1_A DATA FIRST_RESID 22 DATA SEQUENCE QQKLTSPDNN LVMTFQVDSK GAPTYELTYK NKVVIKPSTL GLELKKEDNT DATA SEQUENCE RTDFDWVDRR DLTKLDSKTN LYDGFEVKDT QTATFDETWQ PVWGEEKEIR DATA SEQUENCE NHYNELAVTL YQPMNDRSIV IRFRLFNDGL GFRYEFPQQK SLNYFVIKEE DATA SEQUENCE HSQFGMNGDH IAFWIPGDYD TQEYDYTISR LSEIRGLMKE AITPNSSQTP DATA SEQUENCE FSQTGVQTAL MMKTDDGLYI NLHEAALVDY SCMHLNLDDK NMVFESWLTP DATA SEQUENCE DAKGDKGYMQ TPCNTPWRTI IVSDDARNIL ASRITLNLNE PCKIADAASW DATA SEQUENCE VKPVKYIGVW WDMITGKGSW AYTDELTSVK LGETDYSKTK PNGKHSANTA DATA SEQUENCE NVKRYIDFAA AHGFDAVLVE GWNEGWEDWF GNSKDYVFDF VTPYPDFDVK DATA SEQUENCE EIHRYAARKG IKMMMHHETS ASVRNYERHM DKAYQFMADN GYNSVKSGYV DATA SEQUENCE GNIIPRGEHH YGQWMNNHYL YAVKKAADYK IMVNAHEATR PTGICRTYPN DATA SEQUENCE LIGNESARGT EYESFGGNKV YHTTILPFTR LVGGPMDYTP GIFETHCNKM DATA SEQUENCE NPANNSQVRS TIARQLALYV TMYSPLQMAA DIPENYERFM DAFQFIKDVA DATA SEQUENCE LDWDETNYLE AEPGEYITIA RKAKDTDDWY VGCTAGENGH TSKLVFDFLT DATA SEQUENCE PGKQYIATVY ADAKDADWKE NPQAYTIKKG ILTNKSKLNL HAANGGGYAI DATA SEQUENCE SIKEVKDKSE AKGLKRL 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 22 Q HA 0.000 nan 4.340 nan 0.000 0.214 22 Q C 0.000 176.031 176.000 0.051 0.000 1.003 22 Q CA 0.000 55.812 55.803 0.016 0.000 1.022 22 Q CB 0.000 28.735 28.738 -0.006 0.000 1.108 23 Q N 1.559 121.414 119.800 0.091 0.000 2.312 23 Q HA 0.552 4.892 4.340 0.000 0.000 0.263 23 Q C -1.118 174.911 176.000 0.048 0.000 0.995 23 Q CA -0.281 55.577 55.803 0.092 0.000 0.853 23 Q CB 2.258 31.089 28.738 0.155 0.000 1.300 23 Q HN 0.367 nan 8.270 nan 0.000 0.448 24 K N 1.711 122.125 120.400 0.023 0.000 2.397 24 K HA 0.568 4.889 4.320 0.000 0.000 0.253 24 K C -1.118 175.482 176.600 -0.000 0.000 0.932 24 K CA -0.875 55.416 56.287 0.007 0.000 0.795 24 K CB 1.996 34.503 32.500 0.011 0.000 1.159 24 K HN 0.284 nan 8.250 nan 0.000 0.424 25 L N 1.581 122.797 121.223 -0.012 0.000 2.385 25 L HA 0.519 4.859 4.340 0.000 0.000 0.273 25 L C -1.117 175.763 176.870 0.016 0.000 0.990 25 L CA 0.137 54.976 54.840 -0.001 0.000 0.821 25 L CB 2.258 44.305 42.059 -0.020 0.000 1.279 25 L HN 0.567 nan 8.230 nan 0.000 0.412 26 T N 2.063 116.629 114.554 0.020 0.000 2.887 26 T HA 0.560 4.910 4.350 0.000 0.000 0.288 26 T C -0.330 174.382 174.700 0.020 0.000 1.021 26 T CA -0.459 61.656 62.100 0.026 0.000 1.000 26 T CB 1.521 70.399 68.868 0.018 0.000 1.034 26 T HN 0.776 nan 8.240 nan 0.000 0.467 27 S N 2.138 117.857 115.700 0.031 0.000 2.600 27 S HA 0.221 4.691 4.470 0.000 0.000 0.265 27 S C -1.882 172.701 174.600 -0.029 0.000 1.325 27 S CA -0.978 57.229 58.200 0.012 0.000 1.002 27 S CB 0.388 63.627 63.200 0.064 0.000 0.921 27 S HN 0.340 nan 8.310 nan 0.000 0.554 28 P HA -0.136 nan 4.420 nan 0.000 0.216 28 P C 0.690 177.976 177.300 -0.024 0.000 1.150 28 P CA 1.594 64.622 63.100 -0.120 0.000 0.843 28 P CB -0.151 31.310 31.700 -0.399 0.000 0.787 29 D N -2.742 117.655 120.400 -0.005 0.000 2.328 29 D HA -0.031 4.609 4.640 0.000 0.000 0.221 29 D C 0.376 176.684 176.300 0.013 0.000 1.072 29 D CA -0.123 53.889 54.000 0.021 0.000 0.850 29 D CB -1.097 39.727 40.800 0.039 0.000 0.922 29 D HN -0.002 nan 8.370 nan 0.000 0.516 30 N N -0.024 118.683 118.700 0.010 0.000 2.900 30 N HA -0.237 4.503 4.740 0.000 0.000 0.240 30 N C 0.391 175.899 175.510 -0.004 0.000 0.953 30 N CA 1.091 54.145 53.050 0.006 0.000 0.950 30 N CB -1.882 36.606 38.487 0.001 0.000 1.102 30 N HN 0.496 nan 8.380 nan 0.000 0.593 31 N N -0.153 118.545 118.700 -0.003 0.000 2.300 31 N HA 0.003 4.743 4.740 0.000 0.000 0.179 31 N C -0.140 175.364 175.510 -0.010 0.000 1.016 31 N CA 0.634 53.650 53.050 -0.058 0.000 0.876 31 N CB 0.152 38.587 38.487 -0.086 0.000 0.979 31 N HN 0.106 nan 8.380 nan 0.000 0.432 32 L N 0.755 122.030 121.223 0.087 0.000 2.334 32 L HA 0.462 4.803 4.340 0.000 0.000 0.276 32 L C -0.684 176.245 176.870 0.097 0.000 1.014 32 L CA -0.628 54.299 54.840 0.145 0.000 0.815 32 L CB 2.132 44.324 42.059 0.221 0.000 1.268 32 L HN -0.260 nan 8.230 nan 0.000 0.428 33 V N 3.481 123.454 119.914 0.097 0.000 2.623 33 V HA 0.533 4.653 4.120 0.000 0.000 0.304 33 V C -0.442 175.698 176.094 0.075 0.000 1.054 33 V CA -0.500 61.840 62.300 0.067 0.000 0.882 33 V CB 1.900 33.748 31.823 0.042 0.000 1.002 33 V HN 0.708 nan 8.190 nan 0.000 0.424 34 M N 4.096 123.728 119.600 0.053 0.000 2.227 34 M HA 0.557 5.037 4.480 0.000 0.000 0.335 34 M C -0.679 175.612 176.300 -0.014 0.000 1.053 34 M CA 0.149 55.471 55.300 0.037 0.000 0.973 34 M CB 1.449 34.050 32.600 0.002 0.000 1.623 34 M HN 0.708 nan 8.290 nan 0.000 0.434 35 T N 5.942 120.497 114.554 0.002 0.000 2.797 35 T HA 0.593 4.943 4.350 0.000 0.000 0.279 35 T C -1.177 173.531 174.700 0.013 0.000 0.991 35 T CA -0.247 61.851 62.100 -0.004 0.000 0.979 35 T CB 0.973 69.836 68.868 -0.009 0.000 0.943 35 T HN 0.538 nan 8.240 nan 0.000 0.444 36 F N 3.274 123.138 119.950 -0.143 0.000 2.577 36 F HA 0.709 5.236 4.527 0.000 0.000 0.318 36 F C -0.622 175.148 175.800 -0.050 0.000 1.065 36 F CA -0.516 57.406 58.000 -0.129 0.000 0.929 36 F CB 1.610 40.461 39.000 -0.249 0.000 1.237 36 F HN 0.708 nan 8.300 nan 0.000 0.468 37 Q N 3.119 122.195 119.800 -1.207 0.000 2.848 37 Q HA 0.555 4.895 4.340 0.000 0.000 0.288 37 Q C -2.149 173.368 176.000 -0.804 0.000 0.907 37 Q CA -1.255 54.101 55.803 -0.744 0.000 0.792 37 Q CB 1.663 30.229 28.738 -0.287 0.000 1.534 37 Q HN 0.754 nan 8.270 nan 0.000 0.419 38 V N -0.889 118.807 119.914 -0.363 0.000 2.532 38 V HA 0.647 4.767 4.120 0.000 0.000 0.295 38 V C -0.243 175.794 176.094 -0.095 0.000 1.041 38 V CA -0.414 61.783 62.300 -0.172 0.000 0.926 38 V CB 1.132 32.963 31.823 0.014 0.000 0.992 38 V HN 0.932 nan 8.190 nan 0.000 0.457 39 D N 2.905 123.275 120.400 -0.051 0.000 2.398 39 D HA 0.149 4.789 4.640 0.000 0.000 0.264 39 D C 1.434 177.732 176.300 -0.003 0.000 1.263 39 D CA 0.159 54.141 54.000 -0.031 0.000 1.037 39 D CB 0.361 41.149 40.800 -0.019 0.000 1.101 39 D HN 0.744 nan 8.370 nan 0.000 0.551 40 S N -1.911 113.787 115.700 -0.003 0.000 2.537 40 S HA -0.190 4.280 4.470 0.000 0.000 0.240 40 S C 1.281 175.887 174.600 0.010 0.000 0.981 40 S CA 0.897 59.099 58.200 0.003 0.000 0.948 40 S CB -0.459 62.740 63.200 -0.001 0.000 0.759 40 S HN 0.583 nan 8.310 nan 0.000 0.531 41 K N 0.443 120.855 120.400 0.019 0.000 2.387 41 K HA 0.334 4.654 4.320 0.000 0.000 0.203 41 K C 0.856 177.475 176.600 0.032 0.000 1.030 41 K CA 0.425 56.725 56.287 0.021 0.000 1.099 41 K CB -0.182 32.337 32.500 0.032 0.000 0.863 41 K HN 0.462 nan 8.250 nan 0.000 0.529 42 G N 0.717 109.550 108.800 0.053 0.000 2.149 42 G HA2 -0.268 3.692 3.960 0.000 0.000 0.235 42 G HA3 -0.268 3.692 3.960 0.000 0.000 0.235 42 G C -0.095 174.926 174.900 0.201 0.000 1.018 42 G CA 0.164 45.327 45.100 0.105 0.000 0.728 42 G HN 0.441 nan 8.290 nan 0.000 0.508 43 A N 0.429 123.344 122.820 0.158 0.000 2.276 43 A HA 0.745 5.065 4.320 0.000 0.000 0.300 43 A C -1.802 175.865 177.584 0.138 0.000 1.235 43 A CA -1.427 50.739 52.037 0.214 0.000 0.867 43 A CB 0.765 19.865 19.000 0.168 0.000 1.137 43 A HN 0.127 nan 8.150 nan 0.000 0.527 44 P HA 0.197 nan 4.420 nan 0.000 0.263 44 P C -0.424 176.907 177.300 0.050 0.000 1.195 44 P CA 0.725 63.898 63.100 0.122 0.000 0.762 44 P CB 0.775 32.641 31.700 0.276 0.000 0.799 45 T N 3.628 118.054 114.554 -0.214 0.000 2.886 45 T HA 0.583 4.933 4.350 0.000 0.000 0.292 45 T C -0.898 173.756 174.700 -0.077 0.000 1.012 45 T CA -0.449 61.588 62.100 -0.105 0.000 0.982 45 T CB 0.816 69.589 68.868 -0.158 0.000 1.018 45 T HN 0.327 nan 8.240 nan 0.000 0.451 46 Y N 0.393 120.649 120.300 -0.073 0.000 2.609 46 Y HA 0.841 5.391 4.550 0.000 0.000 0.342 46 Y C -0.822 175.061 175.900 -0.028 0.000 1.058 46 Y CA -1.196 56.879 58.100 -0.041 0.000 1.055 46 Y CB 1.677 40.144 38.460 0.012 0.000 1.292 46 Y HN 0.745 nan 8.280 nan 0.000 0.476 47 E N 2.481 122.594 120.200 -0.145 0.000 2.392 47 E HA 0.617 4.967 4.350 0.000 0.000 0.279 47 E C -2.440 174.179 176.600 0.031 0.000 0.964 47 E CA -1.163 55.128 56.400 -0.180 0.000 0.777 47 E CB 2.913 32.546 29.700 -0.112 0.000 1.249 47 E HN 0.746 nan 8.360 nan 0.000 0.449 48 L N 1.159 122.422 121.223 0.068 0.000 2.431 48 L HA 0.600 4.940 4.340 0.000 0.000 0.266 48 L C -1.203 175.750 176.870 0.138 0.000 0.978 48 L CA 0.067 54.999 54.840 0.154 0.000 0.822 48 L CB 2.402 44.618 42.059 0.261 0.000 1.310 48 L HN 0.873 nan 8.230 nan 0.000 0.409 49 T N 1.057 115.694 114.554 0.139 0.000 2.908 49 T HA 0.615 4.965 4.350 0.000 0.000 0.290 49 T C -1.272 173.552 174.700 0.206 0.000 1.034 49 T CA -0.566 61.619 62.100 0.143 0.000 1.010 49 T CB 1.553 70.472 68.868 0.085 0.000 1.068 49 T HN 0.544 nan 8.240 nan 0.000 0.481 50 Y N 1.445 121.783 120.300 0.063 0.000 2.329 50 Y HA 0.440 4.990 4.550 0.000 0.000 0.328 50 Y C 0.246 176.174 175.900 0.048 0.000 0.992 50 Y CA -0.994 57.143 58.100 0.062 0.000 1.151 50 Y CB 1.115 39.616 38.460 0.068 0.000 1.150 50 Y HN 0.974 nan 8.280 nan 0.000 0.450 51 K N 5.637 125.785 120.400 -0.420 0.000 3.077 51 K HA -0.337 3.983 4.320 0.000 0.000 0.264 51 K C -0.004 176.520 176.600 -0.127 0.000 1.008 51 K CA 1.035 57.113 56.287 -0.349 0.000 0.740 51 K CB -1.138 31.040 32.500 -0.538 0.000 1.273 51 K HN 0.980 nan 8.250 nan 0.000 0.477 52 N N -1.430 117.237 118.700 -0.055 0.000 2.828 52 N HA -0.168 4.572 4.740 0.000 0.000 0.248 52 N C -0.750 174.774 175.510 0.025 0.000 1.044 52 N CA 1.590 54.636 53.050 -0.007 0.000 0.851 52 N CB -0.537 37.941 38.487 -0.016 0.000 1.136 52 N HN 0.514 nan 8.380 nan 0.000 0.572 53 K N 0.851 121.284 120.400 0.056 0.000 2.206 53 K HA 0.494 4.814 4.320 0.000 0.000 0.264 53 K C 0.109 176.778 176.600 0.114 0.000 0.967 53 K CA -0.629 55.711 56.287 0.088 0.000 0.844 53 K CB 2.285 34.857 32.500 0.120 0.000 1.099 53 K HN -0.183 nan 8.250 nan 0.000 0.441 54 V N 3.806 123.776 119.914 0.093 0.000 2.529 54 V HA -0.052 4.068 4.120 0.000 0.000 0.292 54 V C 1.050 177.221 176.094 0.127 0.000 1.028 54 V CA 0.225 62.583 62.300 0.097 0.000 1.074 54 V CB 0.996 32.861 31.823 0.071 0.000 0.958 54 V HN 0.675 nan 8.190 nan 0.000 0.481 55 V N 5.409 125.408 119.914 0.143 0.000 2.806 55 V HA 0.257 4.377 4.120 0.000 0.000 0.239 55 V C 0.425 176.629 176.094 0.183 0.000 1.113 55 V CA 0.638 63.034 62.300 0.160 0.000 1.137 55 V CB 0.407 32.331 31.823 0.170 0.000 0.865 55 V HN 0.602 nan 8.190 nan 0.000 0.482 56 I N 1.523 122.185 120.570 0.153 0.000 2.439 56 I HA 0.387 4.557 4.170 0.000 0.000 0.285 56 I C -0.090 176.021 176.117 -0.009 0.000 1.021 56 I CA -0.594 60.772 61.300 0.110 0.000 1.091 56 I CB 1.425 39.501 38.000 0.127 0.000 1.242 56 I HN 0.218 nan 8.210 nan 0.000 0.439 57 K N 6.119 126.513 120.400 -0.010 0.000 2.120 57 K HA 0.310 4.630 4.320 0.000 0.000 0.245 57 K C -2.333 174.182 176.600 -0.142 0.000 1.024 57 K CA -1.431 54.827 56.287 -0.049 0.000 0.906 57 K CB 0.040 32.530 32.500 -0.017 0.000 1.051 57 K HN 0.235 nan 8.250 nan 0.000 0.491 58 P HA -0.075 nan 4.420 nan 0.000 0.255 58 P C -1.235 175.958 177.300 -0.178 0.000 1.161 58 P CA 0.832 63.831 63.100 -0.167 0.000 0.768 58 P CB 0.366 32.005 31.700 -0.102 0.000 0.746 59 S N 1.517 117.040 115.700 -0.295 0.000 2.526 59 S HA 0.550 5.020 4.470 0.000 0.000 0.293 59 S C -0.027 174.545 174.600 -0.047 0.000 1.092 59 S CA -0.692 57.390 58.200 -0.196 0.000 0.980 59 S CB 1.336 64.353 63.200 -0.306 0.000 1.048 59 S HN 0.443 nan 8.310 nan 0.000 0.483 60 T N 0.841 115.423 114.554 0.047 0.000 2.874 60 T HA 0.771 5.121 4.350 0.000 0.000 0.281 60 T C -0.319 174.499 174.700 0.197 0.000 0.994 60 T CA -0.713 61.459 62.100 0.120 0.000 1.015 60 T CB 0.174 69.102 68.868 0.100 0.000 1.028 60 T HN 0.430 nan 8.240 nan 0.000 0.523 61 L N 0.485 121.850 121.223 0.236 0.000 2.388 61 L HA 0.819 5.159 4.340 0.000 0.000 0.264 61 L C 0.466 177.576 176.870 0.401 0.000 0.998 61 L CA -0.762 54.260 54.840 0.303 0.000 0.817 61 L CB 2.236 44.375 42.059 0.134 0.000 1.338 61 L HN 1.213 nan 8.230 nan 0.000 0.414 62 G N 1.409 110.492 108.800 0.472 0.000 2.356 62 G HA2 0.441 4.401 3.960 0.000 0.000 0.300 62 G HA3 0.441 4.401 3.960 0.000 0.000 0.300 62 G C -2.302 172.724 174.900 0.210 0.000 1.331 62 G CA -0.812 44.499 45.100 0.351 0.000 0.905 62 G HN 0.342 nan 8.290 nan 0.000 0.587 63 L N -0.525 120.836 121.223 0.231 0.000 2.415 63 L HA 0.777 5.117 4.340 0.000 0.000 0.256 63 L C -0.261 176.791 176.870 0.303 0.000 1.010 63 L CA -0.773 54.169 54.840 0.170 0.000 0.826 63 L CB 2.390 44.446 42.059 -0.006 0.000 1.405 63 L HN 0.798 nan 8.230 nan 0.000 0.410 64 E N 1.236 121.581 120.200 0.240 0.000 2.187 64 E HA 0.668 5.018 4.350 0.000 0.000 0.268 64 E C -1.596 175.046 176.600 0.070 0.000 0.896 64 E CA -0.575 55.967 56.400 0.238 0.000 0.766 64 E CB 1.326 31.192 29.700 0.277 0.000 1.142 64 E HN 0.480 nan 8.360 nan 0.000 0.408 65 L N 3.209 124.451 121.223 0.031 0.000 2.344 65 L HA 0.452 4.792 4.340 0.000 0.000 0.272 65 L C 0.352 177.211 176.870 -0.018 0.000 1.035 65 L CA -0.969 53.865 54.840 -0.010 0.000 0.807 65 L CB 1.206 43.235 42.059 -0.050 0.000 1.237 65 L HN 0.464 nan 8.230 nan 0.000 0.442 66 K N 2.176 122.550 120.400 -0.043 0.000 2.401 66 K HA 0.071 4.391 4.320 0.000 0.000 0.278 66 K C -0.147 176.431 176.600 -0.036 0.000 1.018 66 K CA -0.274 55.981 56.287 -0.053 0.000 0.981 66 K CB 0.738 33.180 32.500 -0.098 0.000 0.933 66 K HN 0.448 nan 8.250 nan 0.000 0.477 67 K N 3.255 123.639 120.400 -0.027 0.000 2.326 67 K HA -0.003 4.317 4.320 0.000 0.000 0.275 67 K C -0.529 176.059 176.600 -0.021 0.000 1.018 67 K CA 0.007 56.281 56.287 -0.022 0.000 0.962 67 K CB 0.607 33.097 32.500 -0.016 0.000 0.953 67 K HN 0.553 nan 8.250 nan 0.000 0.475 68 E N 2.100 122.289 120.200 -0.017 0.000 2.392 68 E HA -0.008 4.342 4.350 0.000 0.000 0.259 68 E C -0.669 175.924 176.600 -0.012 0.000 1.108 68 E CA -0.512 55.881 56.400 -0.012 0.000 0.916 68 E CB 0.559 30.255 29.700 -0.007 0.000 0.989 68 E HN 0.514 nan 8.360 nan 0.000 0.432 69 D N 1.383 121.777 120.400 -0.011 0.000 2.472 69 D HA -0.093 4.547 4.640 0.000 0.000 0.237 69 D C 0.815 177.110 176.300 -0.009 0.000 1.141 69 D CA 0.405 54.399 54.000 -0.010 0.000 0.875 69 D CB 0.369 41.161 40.800 -0.013 0.000 1.192 69 D HN 0.498 nan 8.370 nan 0.000 0.450 70 N N 0.604 119.300 118.700 -0.006 0.000 2.149 70 N HA -0.176 4.564 4.740 0.000 0.000 0.188 70 N C 0.118 175.627 175.510 -0.002 0.000 1.019 70 N CA 0.862 53.910 53.050 -0.004 0.000 0.857 70 N CB 0.323 38.809 38.487 -0.002 0.000 0.997 70 N HN 0.287 nan 8.380 nan 0.000 0.426 71 T N -0.185 114.368 114.554 -0.002 0.000 2.847 71 T HA 0.363 4.713 4.350 0.000 0.000 0.291 71 T C -1.380 173.314 174.700 -0.010 0.000 0.998 71 T CA -0.774 61.326 62.100 -0.000 0.000 0.967 71 T CB 0.940 69.814 68.868 0.009 0.000 0.954 71 T HN 0.166 nan 8.240 nan 0.000 0.441 72 R N 3.682 124.173 120.500 -0.015 0.000 2.502 72 R HA 0.538 4.878 4.340 0.000 0.000 0.298 72 R C -1.096 175.182 176.300 -0.037 0.000 1.018 72 R CA -0.471 55.610 56.100 -0.032 0.000 0.899 72 R CB 1.799 32.082 30.300 -0.027 0.000 1.181 72 R HN 0.620 nan 8.270 nan 0.000 0.444 73 T N 2.153 116.664 114.554 -0.071 0.000 2.888 73 T HA 0.297 4.647 4.350 0.000 0.000 0.284 73 T C -0.595 174.030 174.700 -0.124 0.000 1.017 73 T CA -0.541 61.509 62.100 -0.083 0.000 1.022 73 T CB 1.181 69.994 68.868 -0.092 0.000 1.013 73 T HN 0.559 nan 8.240 nan 0.000 0.465 74 D N 1.329 121.681 120.400 -0.080 0.000 2.384 74 D HA 0.183 4.823 4.640 0.000 0.000 0.244 74 D C 0.851 177.080 176.300 -0.118 0.000 1.251 74 D CA -0.365 53.604 54.000 -0.051 0.000 0.961 74 D CB 0.192 40.998 40.800 0.009 0.000 1.116 74 D HN 0.468 nan 8.370 nan 0.000 0.484 75 F N 1.140 120.983 119.950 -0.178 0.000 2.202 75 F HA -0.178 4.349 4.527 0.000 0.000 0.301 75 F C 1.612 177.305 175.800 -0.178 0.000 1.082 75 F CA 1.367 59.232 58.000 -0.224 0.000 1.313 75 F CB -0.072 38.861 39.000 -0.112 0.000 1.024 75 F HN 0.335 nan 8.300 nan 0.000 0.495 76 D N -2.487 117.868 120.400 -0.074 0.000 2.324 76 D HA -0.214 4.426 4.640 0.000 0.000 0.235 76 D C 0.080 176.480 176.300 0.167 0.000 1.095 76 D CA 0.259 54.274 54.000 0.025 0.000 0.871 76 D CB -1.236 39.622 40.800 0.096 0.000 0.906 76 D HN 0.526 nan 8.370 nan 0.000 0.522 77 W N -0.407 120.809 121.300 -0.139 0.000 4.706 77 W HA -0.204 4.456 4.660 0.000 0.000 0.366 77 W C -0.858 175.628 176.519 -0.055 0.000 1.382 77 W CA -0.033 57.251 57.345 -0.101 0.000 0.832 77 W CB -2.373 27.013 29.460 -0.122 0.000 2.504 77 W HN -0.075 nan 8.180 nan 0.000 1.403 78 V N 0.514 120.484 119.914 0.093 0.000 2.577 78 V HA 0.261 4.381 4.120 0.000 0.000 0.303 78 V C -0.035 176.079 176.094 0.034 0.000 1.042 78 V CA -1.025 61.316 62.300 0.069 0.000 0.872 78 V CB 2.096 33.956 31.823 0.062 0.000 0.998 78 V HN -0.012 nan 8.190 nan 0.000 0.423 79 D N 4.284 124.702 120.400 0.031 0.000 2.380 79 D HA 0.277 4.917 4.640 0.000 0.000 0.230 79 D C 0.532 176.843 176.300 0.018 0.000 1.154 79 D CA -0.401 53.609 54.000 0.017 0.000 0.859 79 D CB 0.946 41.755 40.800 0.015 0.000 1.045 79 D HN 0.485 nan 8.370 nan 0.000 0.495 80 R N 3.053 123.563 120.500 0.016 0.000 2.586 80 R HA 0.227 4.567 4.340 0.000 0.000 0.306 80 R C 0.416 176.724 176.300 0.014 0.000 1.079 80 R CA -0.349 55.761 56.100 0.017 0.000 1.083 80 R CB 0.705 31.018 30.300 0.021 0.000 1.306 80 R HN 0.135 nan 8.270 nan 0.000 0.567 81 R N 0.439 120.945 120.500 0.010 0.000 2.596 81 R HA 0.140 4.480 4.340 0.000 0.000 0.267 81 R C -0.329 175.973 176.300 0.004 0.000 1.026 81 R CA -0.815 55.289 56.100 0.007 0.000 1.087 81 R CB 0.677 30.980 30.300 0.005 0.000 1.132 81 R HN -0.106 nan 8.270 nan 0.000 0.531 82 D N 2.222 122.622 120.400 0.000 0.000 2.453 82 D HA 0.062 4.702 4.640 0.000 0.000 0.223 82 D C 0.850 177.145 176.300 -0.008 0.000 1.183 82 D CA -0.049 53.949 54.000 -0.004 0.000 0.933 82 D CB 0.609 41.404 40.800 -0.007 0.000 1.038 82 D HN 0.438 nan 8.370 nan 0.000 0.513 83 L N 2.561 123.781 121.223 -0.006 0.000 2.549 83 L HA -0.111 4.229 4.340 0.000 0.000 0.230 83 L C 2.214 179.077 176.870 -0.012 0.000 1.162 83 L CA 1.044 55.880 54.840 -0.007 0.000 0.834 83 L CB -0.518 41.538 42.059 -0.004 0.000 0.947 83 L HN 0.408 nan 8.230 nan 0.000 0.452 84 T N -4.533 110.013 114.554 -0.013 0.000 3.100 84 T HA 0.004 4.354 4.350 0.000 0.000 0.253 84 T C 1.386 176.070 174.700 -0.026 0.000 1.118 84 T CA 0.156 62.245 62.100 -0.017 0.000 1.058 84 T CB 0.063 68.921 68.868 -0.016 0.000 0.953 84 T HN 0.276 nan 8.240 nan 0.000 0.515 85 K N 0.355 120.738 120.400 -0.028 0.000 2.414 85 K HA 0.430 4.750 4.320 0.000 0.000 0.204 85 K C 1.372 177.946 176.600 -0.043 0.000 1.026 85 K CA -0.210 56.052 56.287 -0.041 0.000 1.108 85 K CB 0.277 32.751 32.500 -0.044 0.000 0.855 85 K HN 0.267 nan 8.250 nan 0.000 0.517 86 L N 0.899 122.103 121.223 -0.032 0.000 2.046 86 L HA -0.213 4.127 4.340 0.000 0.000 0.208 86 L C 1.482 178.330 176.870 -0.036 0.000 1.077 86 L CA 1.299 56.121 54.840 -0.030 0.000 0.747 86 L CB -0.264 41.782 42.059 -0.020 0.000 0.896 86 L HN 0.194 nan 8.230 nan 0.000 0.432 87 D N -0.877 119.502 120.400 -0.035 0.000 2.123 87 D HA -0.156 4.484 4.640 0.000 0.000 0.200 87 D C 2.377 178.643 176.300 -0.056 0.000 0.976 87 D CA 1.367 55.346 54.000 -0.035 0.000 0.831 87 D CB -0.018 40.766 40.800 -0.027 0.000 0.974 87 D HN 0.086 nan 8.370 nan 0.000 0.469 88 S N 0.096 115.752 115.700 -0.073 0.000 2.382 88 S HA -0.152 4.318 4.470 0.000 0.000 0.228 88 S C 1.673 176.190 174.600 -0.139 0.000 1.027 88 S CA 1.085 59.218 58.200 -0.112 0.000 0.991 88 S CB -0.036 63.097 63.200 -0.111 0.000 0.823 88 S HN 0.131 nan 8.310 nan 0.000 0.469 89 K N 0.419 120.753 120.400 -0.109 0.000 2.280 89 K HA -0.057 4.263 4.320 0.000 0.000 0.202 89 K C 2.135 178.664 176.600 -0.118 0.000 1.047 89 K CA 1.534 57.751 56.287 -0.117 0.000 0.942 89 K CB -0.344 32.107 32.500 -0.082 0.000 0.739 89 K HN 0.699 nan 8.250 nan 0.000 0.457 90 T N -0.938 113.564 114.554 -0.087 0.000 3.035 90 T HA -0.081 4.269 4.350 0.000 0.000 0.268 90 T C 0.858 175.525 174.700 -0.056 0.000 1.109 90 T CA 0.270 62.340 62.100 -0.050 0.000 1.119 90 T CB -0.152 68.712 68.868 -0.006 0.000 0.900 90 T HN -0.042 nan 8.240 nan 0.000 0.503 91 N N 1.254 119.852 118.700 -0.169 0.000 2.406 91 N HA 0.193 4.933 4.740 0.000 0.000 0.251 91 N C -0.675 174.601 175.510 -0.390 0.000 1.069 91 N CA -0.581 52.231 53.050 -0.396 0.000 0.947 91 N CB 1.058 39.188 38.487 -0.596 0.000 1.111 91 N HN 0.257 nan 8.380 nan 0.000 0.497 92 L N 5.664 126.761 121.223 -0.211 0.000 3.291 92 L HA 0.296 4.636 4.340 0.000 0.000 0.307 92 L C -0.605 176.440 176.870 0.292 0.000 1.303 92 L CA -0.270 54.572 54.840 0.003 0.000 0.949 92 L CB -0.241 41.838 42.059 0.034 0.000 1.375 92 L HN 0.578 nan 8.230 nan 0.000 0.596 93 Y N -3.002 117.430 120.300 0.219 0.000 2.452 93 Y HA 0.602 5.152 4.550 0.000 0.000 0.262 93 Y C 0.050 176.147 175.900 0.328 0.000 1.089 93 Y CA -0.474 57.812 58.100 0.310 0.000 1.262 93 Y CB 0.005 38.563 38.460 0.165 0.000 1.236 93 Y HN 0.240 nan 8.280 nan 0.000 0.512 94 D N -1.721 118.630 120.400 -0.081 0.000 2.759 94 D HA 0.472 5.112 4.640 0.000 0.000 0.321 94 D C 0.859 176.912 176.300 -0.411 0.000 1.267 94 D CA -0.631 53.370 54.000 0.002 0.000 0.933 94 D CB 0.872 41.755 40.800 0.139 0.000 1.431 94 D HN 0.490 nan 8.370 nan 0.000 0.504 95 G N -1.556 107.114 108.800 -0.217 0.000 2.136 95 G HA2 -0.179 3.781 3.960 0.000 0.000 0.242 95 G HA3 -0.179 3.781 3.960 0.000 0.000 0.242 95 G C -0.446 174.259 174.900 -0.326 0.000 0.989 95 G CA 0.174 45.099 45.100 -0.291 0.000 0.682 95 G HN 0.328 nan 8.290 nan 0.000 0.522 96 F N 0.861 120.792 119.950 -0.032 0.000 2.377 96 F HA 0.641 5.168 4.527 0.000 0.000 0.328 96 F C 0.872 176.700 175.800 0.046 0.000 1.094 96 F CA -0.545 57.457 58.000 0.003 0.000 1.093 96 F CB 1.086 40.122 39.000 0.061 0.000 1.214 96 F HN 0.109 nan 8.300 nan 0.000 0.518 97 E N 0.670 121.057 120.200 0.313 0.000 2.248 97 E HA 0.412 4.762 4.350 0.000 0.000 0.267 97 E C -1.418 175.332 176.600 0.250 0.000 0.877 97 E CA -1.024 55.517 56.400 0.236 0.000 0.759 97 E CB 2.637 32.467 29.700 0.217 0.000 1.182 97 E HN 0.197 nan 8.360 nan 0.000 0.418 98 V N 3.778 123.813 119.914 0.203 0.000 2.415 98 V HA -0.015 4.105 4.120 0.000 0.000 0.267 98 V C 1.315 177.494 176.094 0.141 0.000 1.042 98 V CA 0.528 62.939 62.300 0.185 0.000 1.000 98 V CB 0.538 32.475 31.823 0.190 0.000 1.015 98 V HN 0.709 nan 8.190 nan 0.000 0.478 99 K N 3.006 123.485 120.400 0.132 0.000 2.166 99 K HA 0.072 4.392 4.320 0.000 0.000 0.201 99 K C 0.336 176.964 176.600 0.047 0.000 1.052 99 K CA 0.823 57.162 56.287 0.086 0.000 0.969 99 K CB 0.411 32.962 32.500 0.084 0.000 0.761 99 K HN 0.804 nan 8.250 nan 0.000 0.459 100 D N -0.767 119.660 120.400 0.045 0.000 2.648 100 D HA 0.147 4.787 4.640 0.000 0.000 0.244 100 D C -1.827 174.484 176.300 0.018 0.000 1.244 100 D CA -0.455 53.561 54.000 0.026 0.000 0.772 100 D CB 1.855 42.662 40.800 0.011 0.000 1.379 100 D HN 0.132 nan 8.370 nan 0.000 0.428 101 T N -0.149 114.415 114.554 0.015 0.000 2.909 101 T HA 0.763 5.113 4.350 0.000 0.000 0.299 101 T C -1.172 173.533 174.700 0.008 0.000 1.073 101 T CA -0.882 61.222 62.100 0.007 0.000 0.999 101 T CB 1.940 70.821 68.868 0.021 0.000 1.098 101 T HN 0.209 nan 8.240 nan 0.000 0.477 102 Q N 1.764 121.568 119.800 0.006 0.000 2.331 102 Q HA 0.572 4.912 4.340 0.000 0.000 0.272 102 Q C -0.669 175.347 176.000 0.027 0.000 1.062 102 Q CA -0.637 55.175 55.803 0.015 0.000 0.806 102 Q CB 2.475 31.219 28.738 0.010 0.000 1.312 102 Q HN 1.081 nan 8.270 nan 0.000 0.431 103 T N -1.374 113.199 114.554 0.033 0.000 2.932 103 T HA 0.999 5.349 4.350 0.000 0.000 0.289 103 T C -0.496 174.235 174.700 0.052 0.000 1.039 103 T CA -0.731 61.396 62.100 0.045 0.000 1.024 103 T CB 2.183 71.073 68.868 0.037 0.000 1.090 103 T HN 0.681 nan 8.240 nan 0.000 0.496 104 A N 0.810 123.671 122.820 0.068 0.000 2.586 104 A HA 0.732 5.052 4.320 0.000 0.000 0.291 104 A C -0.677 176.944 177.584 0.061 0.000 1.062 104 A CA -0.961 51.117 52.037 0.068 0.000 0.666 104 A CB 1.278 20.334 19.000 0.093 0.000 1.281 104 A HN 0.917 nan 8.150 nan 0.000 0.421 105 T N 0.875 115.443 114.554 0.024 0.000 2.861 105 T HA 0.658 5.008 4.350 0.000 0.000 0.287 105 T C -1.464 173.189 174.700 -0.078 0.000 1.003 105 T CA -0.065 62.013 62.100 -0.036 0.000 0.977 105 T CB 0.885 69.747 68.868 -0.010 0.000 0.996 105 T HN 0.687 nan 8.240 nan 0.000 0.448 106 F N 2.543 122.194 119.950 -0.499 0.000 2.540 106 F HA 0.622 5.149 4.527 -0.000 0.000 0.317 106 F C -1.006 174.578 175.800 -0.360 0.000 1.104 106 F CA -0.795 56.892 58.000 -0.522 0.000 0.913 106 F CB 1.631 40.070 39.000 -0.935 0.000 1.170 106 F HN 0.415 nan 8.300 nan 0.000 0.450 107 D N 4.493 124.447 120.400 -0.743 0.000 2.337 107 D HA 0.225 4.865 4.640 0.000 0.000 0.238 107 D C -1.492 174.464 176.300 -0.574 0.000 1.331 107 D CA -0.084 53.605 54.000 -0.519 0.000 0.967 107 D CB 0.563 41.022 40.800 -0.569 0.000 1.382 107 D HN 0.460 nan 8.370 nan 0.000 0.549 108 E N 0.668 120.592 120.200 -0.460 0.000 2.367 108 E HA 0.489 4.839 4.350 0.000 0.000 0.273 108 E C -0.374 176.261 176.600 0.059 0.000 0.903 108 E CA -0.697 55.550 56.400 -0.254 0.000 0.764 108 E CB 1.857 31.353 29.700 -0.340 0.000 1.252 108 E HN 0.392 nan 8.360 nan 0.000 0.446 109 T N -1.313 113.281 114.554 0.067 0.000 2.888 109 T HA 0.779 5.129 4.350 0.000 0.000 0.284 109 T C -0.253 174.576 174.700 0.214 0.000 1.017 109 T CA -0.882 61.281 62.100 0.106 0.000 1.022 109 T CB 1.112 69.975 68.868 -0.009 0.000 1.013 109 T HN 0.507 nan 8.240 nan 0.000 0.465 110 W N 0.538 121.838 121.300 0.001 0.000 3.062 110 W HA 0.589 5.249 4.660 0.000 0.000 0.336 110 W C -1.663 174.834 176.519 -0.035 0.000 1.224 110 W CA -1.256 56.081 57.345 -0.013 0.000 1.159 110 W CB 1.090 30.548 29.460 -0.003 0.000 1.454 110 W HN 0.665 nan 8.180 nan 0.000 0.569 111 Q N 2.854 122.712 119.800 0.096 0.000 2.333 111 Q HA 0.345 4.685 4.340 0.000 0.000 0.268 111 Q C -2.118 173.878 176.000 -0.006 0.000 1.007 111 Q CA -1.782 53.962 55.803 -0.098 0.000 0.810 111 Q CB 2.710 31.420 28.738 -0.048 0.000 1.264 111 Q HN 0.059 nan 8.270 nan 0.000 0.452 112 P HA 0.034 nan 4.420 nan 0.000 0.274 112 P C 0.504 177.731 177.300 -0.122 0.000 1.231 112 P CA -0.252 62.788 63.100 -0.101 0.000 0.790 112 P CB 1.355 32.885 31.700 -0.283 0.000 0.951 113 V N 0.293 120.095 119.914 -0.187 0.000 2.343 113 V HA -0.071 4.049 4.120 0.000 0.000 0.247 113 V C 0.933 177.033 176.094 0.011 0.000 1.051 113 V CA 1.423 63.654 62.300 -0.115 0.000 1.036 113 V CB -0.825 30.915 31.823 -0.137 0.000 0.654 113 V HN 0.666 nan 8.190 nan 0.000 0.451 114 W N -1.505 119.799 121.300 0.007 0.000 3.138 114 W HA 0.706 5.366 4.660 0.000 0.000 0.331 114 W C -0.203 176.370 176.519 0.090 0.000 1.166 114 W CA -0.327 57.035 57.345 0.028 0.000 1.212 114 W CB 1.123 30.602 29.460 0.031 0.000 1.399 114 W HN 0.113 nan 8.180 nan 0.000 0.514 115 G N 0.647 109.680 108.800 0.389 0.000 2.340 115 G HA2 0.157 4.117 3.960 0.000 0.000 0.299 115 G HA3 0.157 4.117 3.960 0.000 0.000 0.299 115 G C -0.537 174.385 174.900 0.038 0.000 1.291 115 G CA -0.675 44.538 45.100 0.188 0.000 0.841 115 G HN 0.458 nan 8.290 nan 0.000 0.500 116 E N 0.134 120.159 120.200 -0.292 0.000 2.478 116 E HA 0.118 4.468 4.350 0.000 0.000 0.194 116 E C 0.285 176.813 176.600 -0.120 0.000 1.045 116 E CA 0.768 57.000 56.400 -0.280 0.000 0.868 116 E CB 0.284 29.700 29.700 -0.474 0.000 0.885 116 E HN 0.503 nan 8.360 nan 0.000 0.505 117 E N -0.173 119.958 120.200 -0.116 0.000 2.407 117 E HA 0.145 4.495 4.350 0.000 0.000 0.279 117 E C -0.152 176.370 176.600 -0.130 0.000 1.012 117 E CA -0.618 55.714 56.400 -0.113 0.000 0.800 117 E CB 1.190 30.802 29.700 -0.147 0.000 1.276 117 E HN -0.159 nan 8.360 nan 0.000 0.452 118 K N 0.159 120.491 120.400 -0.113 0.000 2.057 118 K HA -0.035 4.285 4.320 0.000 0.000 0.206 118 K C -0.041 176.451 176.600 -0.180 0.000 1.050 118 K CA 1.339 57.554 56.287 -0.119 0.000 0.935 118 K CB 0.299 32.748 32.500 -0.085 0.000 0.715 118 K HN 0.491 nan 8.250 nan 0.000 0.439 119 E N 0.243 120.322 120.200 -0.202 0.000 2.266 119 E HA 0.363 4.713 4.350 0.000 0.000 0.268 119 E C -1.133 175.257 176.600 -0.349 0.000 0.879 119 E CA -0.609 55.630 56.400 -0.269 0.000 0.762 119 E CB 2.435 32.036 29.700 -0.166 0.000 1.199 119 E HN 0.088 nan 8.360 nan 0.000 0.422 120 I N 1.985 122.215 120.570 -0.566 0.000 2.465 120 I HA 0.367 4.537 4.170 0.000 0.000 0.291 120 I C -0.168 175.755 176.117 -0.323 0.000 1.014 120 I CA -0.732 60.239 61.300 -0.549 0.000 1.093 120 I CB 1.889 39.306 38.000 -0.971 0.000 1.267 120 I HN 0.225 nan 8.210 nan 0.000 0.431 121 R N 4.344 124.796 120.500 -0.081 0.000 2.312 121 R HA 0.302 4.642 4.340 0.000 0.000 0.311 121 R C -0.622 175.830 176.300 0.254 0.000 1.004 121 R CA -0.491 55.656 56.100 0.078 0.000 0.902 121 R CB 0.833 31.174 30.300 0.069 0.000 1.073 121 R HN 0.517 nan 8.270 nan 0.000 0.457 122 N N 2.990 121.926 118.700 0.393 0.000 2.707 122 N HA 0.085 4.825 4.740 0.000 0.000 0.235 122 N C -1.792 174.056 175.510 0.563 0.000 1.028 122 N CA -0.248 53.163 53.050 0.603 0.000 0.906 122 N CB 0.435 39.363 38.487 0.735 0.000 1.131 122 N HN 0.657 nan 8.380 nan 0.000 0.509 123 H N 3.751 123.061 119.070 0.399 0.000 2.800 123 H HA 0.338 4.894 4.556 0.000 0.000 0.322 123 H C -1.304 174.062 175.328 0.063 0.000 0.979 123 H CA -0.743 55.387 56.048 0.136 0.000 1.277 123 H CB 0.700 30.520 29.762 0.097 0.000 1.484 123 H HN 0.531 nan 8.280 nan 0.000 0.512 124 Y N 2.089 122.353 120.300 -0.061 0.000 2.638 124 Y HA 0.413 4.963 4.550 -0.000 0.000 0.335 124 Y C -1.731 174.041 175.900 -0.213 0.000 1.155 124 Y CA -1.441 56.374 58.100 -0.475 0.000 1.046 124 Y CB 0.884 38.638 38.460 -1.176 0.000 1.303 124 Y HN 0.397 nan 8.280 nan 0.000 0.460 125 N N 1.813 120.508 118.700 -0.009 0.000 2.399 125 N HA 0.295 5.035 4.740 0.000 0.000 0.295 125 N C -1.400 174.206 175.510 0.161 0.000 1.048 125 N CA -0.659 52.420 53.050 0.048 0.000 0.886 125 N CB 2.193 40.683 38.487 0.004 0.000 1.185 125 N HN 0.865 nan 8.380 nan 0.000 0.487 126 E N 1.634 121.950 120.200 0.194 0.000 2.227 126 E HA 0.528 4.878 4.350 0.000 0.000 0.268 126 E C -1.521 175.155 176.600 0.126 0.000 0.907 126 E CA -0.768 55.746 56.400 0.191 0.000 0.786 126 E CB 1.528 31.391 29.700 0.271 0.000 1.191 126 E HN 0.294 nan 8.360 nan 0.000 0.411 127 L N 3.071 124.375 121.223 0.136 0.000 2.439 127 L HA 0.669 5.009 4.340 0.000 0.000 0.270 127 L C -1.732 175.202 176.870 0.106 0.000 0.972 127 L CA -0.293 54.608 54.840 0.102 0.000 0.836 127 L CB 1.608 43.710 42.059 0.072 0.000 1.255 127 L HN 0.565 nan 8.230 nan 0.000 0.404 128 A N 5.151 127.987 122.820 0.027 0.000 2.287 128 A HA 0.769 5.089 4.320 0.000 0.000 0.317 128 A C -1.164 176.372 177.584 -0.080 0.000 1.220 128 A CA -0.517 51.492 52.037 -0.047 0.000 0.835 128 A CB 1.149 20.121 19.000 -0.047 0.000 1.180 128 A HN 0.517 nan 8.150 nan 0.000 0.500 129 V N 2.910 122.727 119.914 -0.162 0.000 2.370 129 V HA 0.363 4.483 4.120 0.000 0.000 0.283 129 V C 0.299 176.303 176.094 -0.149 0.000 1.023 129 V CA -0.326 61.868 62.300 -0.176 0.000 0.857 129 V CB 1.476 33.071 31.823 -0.381 0.000 0.985 129 V HN 0.878 nan 8.190 nan 0.000 0.443 130 T N 7.226 121.742 114.554 -0.064 0.000 2.749 130 T HA 0.557 4.907 4.350 0.000 0.000 0.295 130 T C -0.200 174.519 174.700 0.031 0.000 0.936 130 T CA -0.065 62.019 62.100 -0.028 0.000 1.060 130 T CB 0.240 69.110 68.868 0.004 0.000 0.904 130 T HN 0.358 nan 8.240 nan 0.000 0.500 131 L N 4.160 125.397 121.223 0.024 0.000 2.305 131 L HA 0.471 4.812 4.340 0.000 0.000 0.284 131 L C -0.723 176.343 176.870 0.326 0.000 1.013 131 L CA -1.155 53.754 54.840 0.113 0.000 0.819 131 L CB 0.870 42.810 42.059 -0.198 0.000 1.227 131 L HN 0.593 nan 8.230 nan 0.000 0.417 132 Y N 3.315 123.760 120.300 0.242 0.000 2.342 132 Y HA 0.291 4.841 4.550 0.000 0.000 0.334 132 Y C -0.143 175.892 175.900 0.226 0.000 1.067 132 Y CA -0.506 57.718 58.100 0.207 0.000 1.128 132 Y CB 1.446 39.971 38.460 0.108 0.000 1.200 132 Y HN 0.532 nan 8.280 nan 0.000 0.464 133 Q N 8.823 128.297 119.800 -0.543 0.000 2.506 133 Q HA 0.317 4.657 4.340 0.000 0.000 0.242 133 Q C -2.219 173.236 176.000 -0.907 0.000 1.060 133 Q CA -2.177 53.230 55.803 -0.661 0.000 0.826 133 Q CB 1.401 29.738 28.738 -0.669 0.000 1.169 133 Q HN 0.508 nan 8.270 nan 0.000 0.521 134 P HA -0.275 nan 4.420 nan 0.000 0.216 134 P C 1.201 178.330 177.300 -0.285 0.000 1.157 134 P CA 1.867 64.684 63.100 -0.471 0.000 0.880 134 P CB -0.030 31.593 31.700 -0.130 0.000 0.791 135 M N -3.199 116.239 119.600 -0.271 0.000 2.267 135 M HA -0.077 4.403 4.480 0.000 0.000 0.263 135 M C 0.764 176.950 176.300 -0.190 0.000 1.063 135 M CA 2.028 57.208 55.300 -0.200 0.000 1.090 135 M CB -0.548 31.928 32.600 -0.207 0.000 1.392 135 M HN -0.160 nan 8.290 nan 0.000 0.422 136 N N -0.011 118.542 118.700 -0.245 0.000 2.171 136 N HA 0.027 4.767 4.740 0.000 0.000 0.212 136 N C -0.475 174.950 175.510 -0.142 0.000 1.184 136 N CA 0.260 53.199 53.050 -0.185 0.000 0.888 136 N CB 0.281 38.642 38.487 -0.210 0.000 1.038 136 N HN 0.327 nan 8.380 nan 0.000 0.517 137 D N 1.814 122.108 120.400 -0.176 0.000 2.697 137 D HA -0.205 4.435 4.640 0.000 0.000 0.235 137 D C -0.385 175.947 176.300 0.052 0.000 1.167 137 D CA 0.874 54.862 54.000 -0.020 0.000 0.656 137 D CB -0.718 40.124 40.800 0.071 0.000 1.025 137 D HN 0.569 nan 8.370 nan 0.000 0.419 138 R N -1.686 118.780 120.500 -0.057 0.000 2.739 138 R HA 0.793 5.133 4.340 0.000 0.000 0.271 138 R C -1.180 175.194 176.300 0.123 0.000 1.010 138 R CA -1.021 55.116 56.100 0.061 0.000 0.897 138 R CB 1.427 31.724 30.300 -0.006 0.000 1.236 138 R HN -0.012 nan 8.270 nan 0.000 0.466 139 S N 1.018 116.840 115.700 0.204 0.000 2.599 139 S HA 0.725 5.195 4.470 0.000 0.000 0.287 139 S C -0.366 174.338 174.600 0.173 0.000 1.105 139 S CA -0.833 57.514 58.200 0.246 0.000 0.899 139 S CB 1.507 64.867 63.200 0.266 0.000 1.100 139 S HN 0.635 nan 8.310 nan 0.000 0.482 140 I N -1.920 118.722 120.570 0.121 0.000 3.174 140 I HA 0.904 5.074 4.170 0.000 0.000 0.313 140 I C -1.574 174.474 176.117 -0.116 0.000 1.155 140 I CA -1.192 60.106 61.300 -0.002 0.000 0.977 140 I CB 1.875 39.871 38.000 -0.008 0.000 1.248 140 I HN 0.348 nan 8.210 nan 0.000 0.453 141 V N 3.476 123.257 119.914 -0.223 0.000 2.588 141 V HA 0.511 4.631 4.120 0.000 0.000 0.304 141 V C -0.332 175.533 176.094 -0.381 0.000 1.042 141 V CA -0.399 61.749 62.300 -0.254 0.000 0.877 141 V CB 1.961 33.657 31.823 -0.211 0.000 0.996 141 V HN 0.508 nan 8.190 nan 0.000 0.425 142 I N 4.579 124.885 120.570 -0.439 0.000 2.362 142 I HA 0.539 4.709 4.170 0.000 0.000 0.289 142 I C 0.034 175.735 176.117 -0.693 0.000 0.994 142 I CA -0.480 60.415 61.300 -0.675 0.000 1.158 142 I CB 1.530 39.058 38.000 -0.786 0.000 1.315 142 I HN 0.514 nan 8.210 nan 0.000 0.451 143 R N 6.100 126.181 120.500 -0.700 0.000 2.338 143 R HA 0.584 4.924 4.340 0.000 0.000 0.317 143 R C -1.675 174.365 176.300 -0.434 0.000 0.968 143 R CA -0.429 55.407 56.100 -0.440 0.000 0.849 143 R CB 1.021 31.137 30.300 -0.307 0.000 1.128 143 R HN 0.343 nan 8.270 nan 0.000 0.448 144 F N 2.871 122.808 119.950 -0.022 0.000 2.482 144 F HA 0.520 5.047 4.527 -0.000 0.000 0.331 144 F C 0.288 176.123 175.800 0.058 0.000 1.115 144 F CA -0.708 57.329 58.000 0.062 0.000 0.955 144 F CB 1.893 40.876 39.000 -0.029 0.000 1.136 144 F HN 0.253 nan 8.300 nan 0.000 0.452 145 R N 3.021 123.649 120.500 0.213 0.000 2.451 145 R HA 0.545 4.885 4.340 0.000 0.000 0.307 145 R C -1.797 174.466 176.300 -0.062 0.000 0.965 145 R CA -1.035 54.988 56.100 -0.130 0.000 0.865 145 R CB 2.164 32.068 30.300 -0.660 0.000 1.174 145 R HN 0.446 nan 8.270 nan 0.000 0.455 146 L N 4.690 125.866 121.223 -0.079 0.000 2.298 146 L HA 0.516 4.856 4.340 0.000 0.000 0.284 146 L C -1.304 175.506 176.870 -0.099 0.000 1.013 146 L CA -0.228 54.630 54.840 0.029 0.000 0.824 146 L CB 0.636 42.743 42.059 0.081 0.000 1.221 146 L HN 0.432 nan 8.230 nan 0.000 0.418 147 F N 2.667 122.669 119.950 0.087 0.000 2.461 147 F HA 0.429 4.956 4.527 0.000 0.000 0.332 147 F C 1.522 177.353 175.800 0.052 0.000 1.073 147 F CA -0.703 57.336 58.000 0.065 0.000 1.017 147 F CB 0.653 39.690 39.000 0.062 0.000 1.301 147 F HN 0.408 nan 8.300 nan 0.000 0.492 148 N N 0.584 119.428 118.700 0.240 0.000 2.512 148 N HA -0.093 4.647 4.740 0.000 0.000 0.183 148 N C 0.429 176.058 175.510 0.199 0.000 1.073 148 N CA 0.905 54.060 53.050 0.174 0.000 0.911 148 N CB -0.347 38.216 38.487 0.127 0.000 0.964 148 N HN 0.573 nan 8.380 nan 0.000 0.447 149 D N -1.598 118.913 120.400 0.186 0.000 2.513 149 D HA 0.303 4.943 4.640 0.000 0.000 0.222 149 D C 0.668 177.008 176.300 0.066 0.000 1.210 149 D CA -0.398 53.657 54.000 0.093 0.000 0.825 149 D CB 0.421 41.233 40.800 0.020 0.000 1.037 149 D HN 0.086 nan 8.370 nan 0.000 0.506 150 G N -0.244 108.655 108.800 0.166 0.000 2.336 150 G HA2 0.369 4.329 3.960 0.000 0.000 0.300 150 G HA3 0.369 4.329 3.960 0.000 0.000 0.300 150 G C -2.467 172.610 174.900 0.294 0.000 1.375 150 G CA -0.871 44.327 45.100 0.163 0.000 0.885 150 G HN 0.219 nan 8.290 nan 0.000 0.599 151 L N 0.260 121.648 121.223 0.276 0.000 2.362 151 L HA 0.949 5.289 4.340 0.000 0.000 0.271 151 L C 0.324 177.376 176.870 0.304 0.000 1.002 151 L CA 0.142 55.187 54.840 0.341 0.000 0.818 151 L CB 2.059 44.346 42.059 0.380 0.000 1.298 151 L HN 1.356 nan 8.230 nan 0.000 0.420 152 G N 3.424 112.412 108.800 0.314 0.000 2.591 152 G HA2 0.672 4.632 3.960 0.000 0.000 0.306 152 G HA3 0.672 4.632 3.960 0.000 0.000 0.306 152 G C -1.698 173.458 174.900 0.426 0.000 1.334 152 G CA -0.440 44.796 45.100 0.227 0.000 0.981 152 G HN 0.711 nan 8.290 nan 0.000 0.491 153 F N 0.359 120.479 119.950 0.284 0.000 2.645 153 F HA 0.920 5.447 4.527 0.000 0.000 0.310 153 F C -0.566 175.006 175.800 -0.379 0.000 1.102 153 F CA -1.639 56.281 58.000 -0.134 0.000 0.952 153 F CB 1.832 40.492 39.000 -0.567 0.000 1.326 153 F HN 0.801 nan 8.300 nan 0.000 0.456 154 R N 0.794 120.944 120.500 -0.583 0.000 2.734 154 R HA 0.590 4.930 4.340 0.000 0.000 0.271 154 R C -2.411 173.432 176.300 -0.761 0.000 1.021 154 R CA -1.018 54.625 56.100 -0.761 0.000 0.893 154 R CB 1.549 31.069 30.300 -1.300 0.000 1.244 154 R HN 0.769 nan 8.270 nan 0.000 0.464 155 Y N 0.363 120.345 120.300 -0.529 0.000 2.361 155 Y HA 0.406 4.956 4.550 0.000 0.000 0.332 155 Y C -0.082 175.283 175.900 -0.891 0.000 1.101 155 Y CA -0.551 57.157 58.100 -0.654 0.000 1.137 155 Y CB 1.984 40.120 38.460 -0.541 0.000 1.207 155 Y HN 0.435 nan 8.280 nan 0.000 0.463 156 E N 2.696 122.434 120.200 -0.769 0.000 2.248 156 E HA 0.414 4.764 4.350 0.000 0.000 0.267 156 E C -1.754 174.420 176.600 -0.710 0.000 0.877 156 E CA -0.815 55.191 56.400 -0.655 0.000 0.759 156 E CB 1.675 31.144 29.700 -0.384 0.000 1.182 156 E HN 0.391 nan 8.360 nan 0.000 0.418 157 F N 2.712 122.676 119.950 0.023 0.000 2.359 157 F HA 0.335 4.862 4.527 -0.000 0.000 0.369 157 F C -2.277 173.550 175.800 0.045 0.000 1.084 157 F CA -2.596 55.440 58.000 0.059 0.000 1.096 157 F CB 0.882 39.990 39.000 0.180 0.000 1.335 157 F HN 0.156 nan 8.300 nan 0.000 0.457 158 P HA -0.003 nan 4.420 nan 0.000 0.269 158 P C -0.511 176.850 177.300 0.102 0.000 1.215 158 P CA -0.365 62.787 63.100 0.086 0.000 0.780 158 P CB 0.632 32.364 31.700 0.052 0.000 0.898 159 Q N 2.654 122.495 119.800 0.068 0.000 2.313 159 Q HA 0.123 4.463 4.340 0.000 0.000 0.266 159 Q C -0.528 175.504 176.000 0.052 0.000 0.989 159 Q CA 0.107 55.942 55.803 0.053 0.000 0.890 159 Q CB 0.226 28.980 28.738 0.027 0.000 1.200 159 Q HN 0.406 nan 8.270 nan 0.000 0.396 160 Q N 1.945 121.778 119.800 0.055 0.000 2.575 160 Q HA 0.228 4.568 4.340 0.000 0.000 0.290 160 Q C -0.530 175.500 176.000 0.051 0.000 0.963 160 Q CA -0.986 54.849 55.803 0.054 0.000 0.783 160 Q CB 0.769 29.548 28.738 0.069 0.000 1.467 160 Q HN 0.432 nan 8.270 nan 0.000 0.402 161 K N 0.772 121.201 120.400 0.048 0.000 2.113 161 K HA -0.035 4.285 4.320 0.000 0.000 0.208 161 K C 1.254 177.882 176.600 0.046 0.000 1.047 161 K CA 2.398 58.712 56.287 0.046 0.000 0.928 161 K CB -0.224 32.301 32.500 0.042 0.000 0.716 161 K HN 0.564 nan 8.250 nan 0.000 0.446 162 S N -0.719 115.008 115.700 0.045 0.000 2.575 162 S HA 0.177 4.647 4.470 0.000 0.000 0.215 162 S C -0.522 174.089 174.600 0.018 0.000 0.966 162 S CA -0.227 57.991 58.200 0.030 0.000 0.911 162 S CB 0.179 63.393 63.200 0.023 0.000 0.780 162 S HN 0.194 nan 8.310 nan 0.000 0.514 163 L N 1.713 122.958 121.223 0.037 0.000 2.555 163 L HA 0.520 4.860 4.340 0.000 0.000 0.264 163 L C -0.456 176.466 176.870 0.088 0.000 0.972 163 L CA 0.049 54.910 54.840 0.036 0.000 0.876 163 L CB 0.990 43.044 42.059 -0.009 0.000 1.216 163 L HN -0.156 nan 8.230 nan 0.000 0.415 164 N N 2.469 121.239 118.700 0.116 0.000 3.420 164 N HA 0.199 4.939 4.740 0.000 0.000 0.211 164 N C -0.835 174.660 175.510 -0.025 0.000 1.201 164 N CA 0.136 53.204 53.050 0.030 0.000 1.134 164 N CB 0.336 38.852 38.487 0.047 0.000 1.366 164 N HN 0.288 nan 8.380 nan 0.000 0.606 165 Y N 1.087 121.459 120.300 0.119 0.000 2.320 165 Y HA 0.421 4.971 4.550 0.000 0.000 0.334 165 Y C -0.384 175.596 175.900 0.133 0.000 1.055 165 Y CA -0.715 57.419 58.100 0.056 0.000 1.143 165 Y CB 0.674 39.151 38.460 0.029 0.000 1.193 165 Y HN 0.119 nan 8.280 nan 0.000 0.477 166 F N 0.019 119.978 119.950 0.015 0.000 2.693 166 F HA 0.805 5.332 4.527 0.000 0.000 0.309 166 F C -2.193 173.479 175.800 -0.213 0.000 1.129 166 F CA -1.478 56.461 58.000 -0.103 0.000 0.948 166 F CB 0.630 39.537 39.000 -0.155 0.000 1.315 166 F HN 0.074 nan 8.300 nan 0.000 0.447 167 V N 3.268 123.116 119.914 -0.110 0.000 2.495 167 V HA 0.442 4.562 4.120 0.000 0.000 0.298 167 V C 0.009 176.009 176.094 -0.157 0.000 1.031 167 V CA -0.797 61.272 62.300 -0.386 0.000 0.871 167 V CB 1.796 33.274 31.823 -0.576 0.000 0.988 167 V HN 0.723 nan 8.190 nan 0.000 0.432 168 I N 4.229 124.673 120.570 -0.209 0.000 2.371 168 I HA 0.248 4.418 4.170 0.000 0.000 0.290 168 I C 1.273 177.293 176.117 -0.163 0.000 1.028 168 I CA 0.019 61.246 61.300 -0.123 0.000 1.345 168 I CB 1.135 39.041 38.000 -0.156 0.000 1.407 168 I HN 0.733 nan 8.210 nan 0.000 0.501 169 K N 5.035 125.365 120.400 -0.117 0.000 2.067 169 K HA 0.123 4.443 4.320 0.000 0.000 0.203 169 K C 0.097 176.584 176.600 -0.188 0.000 1.048 169 K CA 1.028 57.240 56.287 -0.125 0.000 0.954 169 K CB 0.550 33.012 32.500 -0.064 0.000 0.737 169 K HN 0.545 nan 8.250 nan 0.000 0.444 170 E N 0.398 120.472 120.200 -0.209 0.000 2.375 170 E HA 0.075 4.425 4.350 0.000 0.000 0.280 170 E C -1.781 174.556 176.600 -0.438 0.000 0.972 170 E CA -0.480 55.693 56.400 -0.379 0.000 0.782 170 E CB 1.915 31.314 29.700 -0.501 0.000 1.229 170 E HN 0.251 nan 8.360 nan 0.000 0.439 171 E N 1.666 121.639 120.200 -0.378 0.000 2.231 171 E HA 0.242 4.592 4.350 0.000 0.000 0.277 171 E C -0.662 175.733 176.600 -0.340 0.000 0.999 171 E CA -0.379 55.894 56.400 -0.211 0.000 0.827 171 E CB 0.671 30.402 29.700 0.053 0.000 1.101 171 E HN 0.386 nan 8.360 nan 0.000 0.393 172 H N 2.532 121.681 119.070 0.131 0.000 2.429 172 H HA 0.239 4.795 4.556 0.000 0.000 0.237 172 H C -0.898 174.567 175.328 0.227 0.000 1.378 172 H CA -0.381 55.759 56.048 0.153 0.000 1.170 172 H CB 0.525 30.333 29.762 0.077 0.000 1.671 172 H HN 0.190 nan 8.280 nan 0.000 0.541 173 S N 1.863 117.781 115.700 0.364 0.000 2.439 173 S HA 0.209 4.679 4.470 0.000 0.000 0.282 173 S C 0.582 175.269 174.600 0.144 0.000 1.170 173 S CA -0.463 57.934 58.200 0.328 0.000 1.054 173 S CB 1.354 64.845 63.200 0.484 0.000 0.956 173 S HN 0.449 nan 8.310 nan 0.000 0.490 174 Q N 1.624 121.446 119.800 0.037 0.000 2.214 174 Q HA 0.508 4.848 4.340 0.000 0.000 0.251 174 Q C -1.288 174.568 176.000 -0.240 0.000 0.936 174 Q CA -0.374 55.448 55.803 0.033 0.000 0.894 174 Q CB 1.204 30.006 28.738 0.107 0.000 1.252 174 Q HN 0.612 nan 8.270 nan 0.000 0.448 175 F N 0.099 120.283 119.950 0.391 0.000 2.824 175 F HA 0.309 4.836 4.527 0.000 0.000 0.375 175 F C 0.472 176.443 175.800 0.284 0.000 1.190 175 F CA -0.763 57.468 58.000 0.386 0.000 1.180 175 F CB 1.291 40.557 39.000 0.444 0.000 1.477 175 F HN 0.573 nan 8.300 nan 0.000 0.542 176 G N 3.983 112.927 108.800 0.240 0.000 2.358 176 G HA2 0.417 4.377 3.960 0.000 0.000 0.273 176 G HA3 0.417 4.377 3.960 0.000 0.000 0.273 176 G C 0.059 175.061 174.900 0.170 0.000 1.215 176 G CA -0.529 44.660 45.100 0.148 0.000 0.910 176 G HN 0.236 nan 8.290 nan 0.000 0.467 177 M N 1.714 121.405 119.600 0.151 0.000 2.255 177 M HA 0.136 4.616 4.480 0.000 0.000 0.336 177 M C 1.201 177.527 176.300 0.044 0.000 1.135 177 M CA -0.367 55.021 55.300 0.147 0.000 1.145 177 M CB 1.080 33.697 32.600 0.028 0.000 1.473 177 M HN 0.679 nan 8.290 nan 0.000 0.462 178 N N -0.353 118.412 118.700 0.110 0.000 2.322 178 N HA 0.182 4.922 4.740 0.000 0.000 0.194 178 N C 0.071 175.580 175.510 -0.002 0.000 1.126 178 N CA -0.150 52.942 53.050 0.070 0.000 0.845 178 N CB 0.682 39.250 38.487 0.135 0.000 0.976 178 N HN 0.829 nan 8.380 nan 0.000 0.475 179 G N -0.212 108.454 108.800 -0.223 0.000 2.441 179 G HA2 -0.008 3.952 3.960 0.000 0.000 0.294 179 G HA3 -0.008 3.952 3.960 0.000 0.000 0.294 179 G C -1.895 172.701 174.900 -0.506 0.000 1.393 179 G CA -0.591 44.355 45.100 -0.256 0.000 0.796 179 G HN 0.069 nan 8.290 nan 0.000 0.494 180 D N 0.610 120.862 120.400 -0.246 0.000 2.558 180 D HA 0.261 4.901 4.640 0.000 0.000 0.221 180 D C 0.535 176.785 176.300 -0.084 0.000 1.143 180 D CA -0.258 53.630 54.000 -0.185 0.000 1.010 180 D CB -0.570 40.172 40.800 -0.096 0.000 1.068 180 D HN 0.280 nan 8.370 nan 0.000 0.511 181 H N 1.337 120.411 119.070 0.006 0.000 2.730 181 H HA 0.191 4.747 4.556 0.000 0.000 0.376 181 H C 0.732 176.049 175.328 -0.018 0.000 1.299 181 H CA -0.118 55.931 56.048 0.002 0.000 1.447 181 H CB 0.574 30.358 29.762 0.037 0.000 1.493 181 H HN 0.277 nan 8.280 nan 0.000 0.619 182 I N 0.709 121.334 120.570 0.092 0.000 2.365 182 I HA 0.365 4.535 4.170 0.000 0.000 0.291 182 I C 0.404 176.460 176.117 -0.102 0.000 1.004 182 I CA -0.366 60.893 61.300 -0.068 0.000 1.311 182 I CB 0.989 38.892 38.000 -0.161 0.000 1.401 182 I HN 0.509 nan 8.210 nan 0.000 0.491 183 A N 6.470 129.209 122.820 -0.134 0.000 2.413 183 A HA 0.809 5.129 4.320 0.000 0.000 0.307 183 A C -1.228 176.246 177.584 -0.184 0.000 1.087 183 A CA -0.415 51.622 52.037 -0.001 0.000 0.750 183 A CB 0.896 20.045 19.000 0.249 0.000 1.296 183 A HN 0.531 nan 8.150 nan 0.000 0.423 184 F N 3.235 123.304 119.950 0.199 0.000 2.366 184 F HA 0.531 5.058 4.527 0.000 0.000 0.366 184 F C 0.036 176.041 175.800 0.341 0.000 1.096 184 F CA -0.326 57.729 58.000 0.092 0.000 1.060 184 F CB 0.919 39.832 39.000 -0.144 0.000 1.282 184 F HN 0.719 nan 8.300 nan 0.000 0.450 185 W N 4.772 126.276 121.300 0.341 0.000 3.029 185 W HA 0.860 5.520 4.660 0.000 0.000 0.339 185 W C -1.728 174.810 176.519 0.031 0.000 1.198 185 W CA -1.772 55.715 57.345 0.237 0.000 1.148 185 W CB 1.063 30.582 29.460 0.099 0.000 1.451 185 W HN 0.359 nan 8.180 nan 0.000 0.564 186 I N -1.104 119.558 120.570 0.153 0.000 2.730 186 I HA 0.576 4.746 4.170 0.000 0.000 0.298 186 I C -2.760 173.485 176.117 0.214 0.000 1.089 186 I CA -3.093 58.160 61.300 -0.079 0.000 1.041 186 I CB 2.031 39.878 38.000 -0.255 0.000 1.235 186 I HN -0.090 nan 8.210 nan 0.000 0.423 187 P HA 0.061 nan 4.420 nan 0.000 0.264 187 P C 0.181 177.436 177.300 -0.076 0.000 1.183 187 P CA 0.226 63.276 63.100 -0.083 0.000 0.763 187 P CB 0.398 31.825 31.700 -0.455 0.000 0.807 188 G N 2.636 111.279 108.800 -0.262 0.000 2.340 188 G HA2 0.250 4.210 3.960 0.000 0.000 0.245 188 G HA3 0.250 4.210 3.960 0.000 0.000 0.245 188 G C -0.601 174.088 174.900 -0.352 0.000 1.294 188 G CA 0.152 45.081 45.100 -0.286 0.000 0.896 188 G HN 0.494 nan 8.290 nan 0.000 0.522 189 D N 1.317 121.650 120.400 -0.112 0.000 2.886 189 D HA 0.116 4.756 4.640 0.000 0.000 0.216 189 D C -0.291 176.092 176.300 0.139 0.000 1.256 189 D CA -0.571 53.405 54.000 -0.039 0.000 0.844 189 D CB 1.327 42.262 40.800 0.224 0.000 1.669 189 D HN 0.240 nan 8.370 nan 0.000 0.513 190 Y N 0.865 121.230 120.300 0.109 0.000 2.546 190 Y HA 0.176 4.726 4.550 -0.000 0.000 0.287 190 Y C 1.510 177.327 175.900 -0.137 0.000 1.158 190 Y CA 0.174 58.342 58.100 0.113 0.000 1.307 190 Y CB 0.358 38.659 38.460 -0.266 0.000 1.036 190 Y HN 0.334 nan 8.280 nan 0.000 0.532 191 D N -2.022 118.394 120.400 0.027 0.000 2.480 191 D HA 0.090 4.730 4.640 0.000 0.000 0.243 191 D C 0.302 176.441 176.300 -0.269 0.000 1.120 191 D CA 0.547 54.434 54.000 -0.189 0.000 0.835 191 D CB 1.186 42.065 40.800 0.133 0.000 1.204 191 D HN 0.108 nan 8.370 nan 0.000 0.513 192 T N -0.302 114.300 114.554 0.080 0.000 2.868 192 T HA 0.343 4.693 4.350 0.000 0.000 0.306 192 T C -1.056 173.730 174.700 0.143 0.000 1.224 192 T CA -0.290 61.852 62.100 0.071 0.000 1.012 192 T CB 1.807 70.565 68.868 -0.183 0.000 1.221 192 T HN -0.293 nan 8.240 nan 0.000 0.499 193 Q N 0.881 120.713 119.800 0.053 0.000 2.093 193 Q HA 0.300 4.640 4.340 0.000 0.000 0.217 193 Q C 0.095 176.030 176.000 -0.108 0.000 0.785 193 Q CA -0.159 55.666 55.803 0.037 0.000 1.038 193 Q CB 0.887 29.682 28.738 0.094 0.000 1.190 193 Q HN 0.668 nan 8.270 nan 0.000 0.468 194 E N 0.695 120.722 120.200 -0.289 0.000 2.424 194 E HA 0.050 4.400 4.350 0.000 0.000 0.237 194 E C -0.889 175.387 176.600 -0.539 0.000 1.381 194 E CA -0.022 56.165 56.400 -0.356 0.000 1.587 194 E CB 0.003 29.537 29.700 -0.276 0.000 1.398 194 E HN 0.243 nan 8.360 nan 0.000 0.439 195 Y N 0.262 120.437 120.300 -0.208 0.000 2.419 195 Y HA 0.184 4.734 4.550 0.000 0.000 0.328 195 Y C 0.893 176.637 175.900 -0.260 0.000 1.162 195 Y CA -1.338 56.620 58.100 -0.237 0.000 1.174 195 Y CB 0.779 39.119 38.460 -0.201 0.000 1.228 195 Y HN -0.035 nan 8.280 nan 0.000 0.473 196 D N 0.649 121.022 120.400 -0.046 0.000 2.341 196 D HA 0.057 4.697 4.640 0.000 0.000 0.245 196 D C -0.727 175.529 176.300 -0.074 0.000 1.106 196 D CA 0.169 54.129 54.000 -0.067 0.000 0.905 196 D CB 0.570 41.324 40.800 -0.075 0.000 1.202 196 D HN 0.404 nan 8.370 nan 0.000 0.426 197 Y N 0.285 120.654 120.300 0.115 0.000 2.326 197 Y HA 0.144 4.694 4.550 -0.000 0.000 0.333 197 Y C 1.134 176.954 175.900 -0.133 0.000 1.240 197 Y CA 0.336 58.437 58.100 0.001 0.000 1.365 197 Y CB 0.973 39.503 38.460 0.118 0.000 1.289 197 Y HN 0.056 nan 8.280 nan 0.000 0.548 198 T N 4.147 118.465 114.554 -0.394 0.000 2.841 198 T HA 0.559 4.909 4.350 0.000 0.000 0.283 198 T C -0.697 173.708 174.700 -0.492 0.000 1.000 198 T CA -0.656 61.110 62.100 -0.556 0.000 0.977 198 T CB 0.670 68.820 68.868 -1.197 0.000 0.979 198 T HN 0.324 nan 8.240 nan 0.000 0.446 199 I N 3.523 123.944 120.570 -0.249 0.000 2.355 199 I HA 0.575 4.745 4.170 0.000 0.000 0.288 199 I C 0.214 176.262 176.117 -0.115 0.000 0.999 199 I CA -0.362 60.755 61.300 -0.306 0.000 1.163 199 I CB 1.139 38.925 38.000 -0.358 0.000 1.316 199 I HN 0.745 nan 8.210 nan 0.000 0.454 200 S N 5.792 121.487 115.700 -0.007 0.000 2.636 200 S HA 0.566 5.036 4.470 0.000 0.000 0.268 200 S C -0.807 173.829 174.600 0.060 0.000 1.159 200 S CA -1.244 57.008 58.200 0.087 0.000 0.815 200 S CB 1.942 65.293 63.200 0.252 0.000 1.130 200 S HN 0.397 nan 8.310 nan 0.000 0.471 201 R N 0.564 121.083 120.500 0.032 0.000 2.679 201 R HA 0.355 4.695 4.340 0.000 0.000 0.269 201 R C 1.360 177.654 176.300 -0.010 0.000 1.076 201 R CA -0.393 55.709 56.100 0.005 0.000 1.160 201 R CB -0.210 30.084 30.300 -0.009 0.000 1.054 201 R HN 0.772 nan 8.270 nan 0.000 0.507 202 L N 0.882 122.084 121.223 -0.036 0.000 2.079 202 L HA -0.221 4.119 4.340 0.000 0.000 0.210 202 L C 2.192 178.975 176.870 -0.146 0.000 1.081 202 L CA 1.865 56.644 54.840 -0.101 0.000 0.752 202 L CB -0.567 41.419 42.059 -0.123 0.000 0.896 202 L HN 0.666 nan 8.230 nan 0.000 0.433 203 S N -1.057 114.579 115.700 -0.107 0.000 2.507 203 S HA -0.124 4.346 4.470 0.000 0.000 0.235 203 S C 1.467 176.020 174.600 -0.078 0.000 0.988 203 S CA 0.739 58.880 58.200 -0.099 0.000 0.944 203 S CB -0.199 62.956 63.200 -0.075 0.000 0.762 203 S HN 0.522 nan 8.310 nan 0.000 0.526 204 E N 0.432 120.598 120.200 -0.056 0.000 2.452 204 E HA 0.289 4.639 4.350 0.000 0.000 0.197 204 E C 1.479 178.068 176.600 -0.018 0.000 1.022 204 E CA -0.036 56.355 56.400 -0.014 0.000 0.890 204 E CB -0.071 29.651 29.700 0.037 0.000 0.918 204 E HN 0.524 nan 8.360 nan 0.000 0.496 205 I N 1.266 121.751 120.570 -0.142 0.000 2.163 205 I HA -0.336 3.834 4.170 0.000 0.000 0.243 205 I C 2.688 178.657 176.117 -0.246 0.000 1.085 205 I CA 1.274 62.361 61.300 -0.355 0.000 1.347 205 I CB -0.279 37.270 38.000 -0.751 0.000 1.044 205 I HN 0.082 nan 8.210 nan 0.000 0.408 206 R N 1.130 121.509 120.500 -0.201 0.000 2.096 206 R HA -0.193 4.147 4.340 0.000 0.000 0.240 206 R C 2.247 178.502 176.300 -0.075 0.000 1.139 206 R CA 2.013 58.026 56.100 -0.145 0.000 0.952 206 R CB -0.622 29.606 30.300 -0.119 0.000 0.854 206 R HN 0.448 nan 8.270 nan 0.000 0.436 207 G N -0.078 108.698 108.800 -0.040 0.000 2.534 207 G HA2 -0.106 3.854 3.960 0.000 0.000 0.217 207 G HA3 -0.106 3.854 3.960 0.000 0.000 0.217 207 G C 1.252 176.170 174.900 0.030 0.000 1.128 207 G CA 0.234 45.330 45.100 -0.007 0.000 0.784 207 G HN 0.274 nan 8.290 nan 0.000 0.542 208 L N -0.677 120.593 121.223 0.079 0.000 2.590 208 L HA 0.282 4.622 4.340 0.000 0.000 0.227 208 L C 2.449 179.434 176.870 0.192 0.000 1.099 208 L CA -0.147 54.788 54.840 0.157 0.000 0.872 208 L CB -0.021 42.211 42.059 0.289 0.000 1.088 208 L HN 0.140 nan 8.230 nan 0.000 0.479 209 M N 0.857 120.540 119.600 0.139 0.000 2.082 209 M HA -0.267 4.213 4.480 0.000 0.000 0.258 209 M C 2.216 178.517 176.300 0.002 0.000 1.069 209 M CA 1.922 57.275 55.300 0.089 0.000 1.102 209 M CB -0.358 32.198 32.600 -0.072 0.000 1.336 209 M HN 0.050 nan 8.290 nan 0.000 0.404 210 K N 0.020 120.410 120.400 -0.016 0.000 2.020 210 K HA -0.260 4.060 4.320 0.000 0.000 0.212 210 K C 1.724 178.307 176.600 -0.028 0.000 1.050 210 K CA 2.189 58.458 56.287 -0.030 0.000 0.929 210 K CB -0.390 32.098 32.500 -0.019 0.000 0.714 210 K HN 0.734 nan 8.250 nan 0.000 0.443 211 E N -0.591 119.603 120.200 -0.011 0.000 2.358 211 E HA -0.052 4.298 4.350 0.000 0.000 0.195 211 E C 1.611 178.182 176.600 -0.049 0.000 1.010 211 E CA 0.691 57.081 56.400 -0.017 0.000 0.856 211 E CB 0.012 29.712 29.700 -0.001 0.000 0.795 211 E HN 0.337 nan 8.360 nan 0.000 0.504 212 A N 1.660 124.438 122.820 -0.070 0.000 2.016 212 A HA 0.097 4.417 4.320 0.000 0.000 0.217 212 A C 1.405 178.814 177.584 -0.292 0.000 1.162 212 A CA 0.215 52.148 52.037 -0.174 0.000 0.662 212 A CB -0.296 18.608 19.000 -0.160 0.000 0.812 212 A HN 0.237 nan 8.150 nan 0.000 0.450 213 I N 2.700 123.118 120.570 -0.252 0.000 2.278 213 I HA 0.100 4.270 4.170 0.000 0.000 0.296 213 I C 0.446 176.533 176.117 -0.050 0.000 1.121 213 I CA -0.317 60.792 61.300 -0.317 0.000 1.267 213 I CB 0.404 38.269 38.000 -0.224 0.000 1.447 213 I HN 0.240 nan 8.210 nan 0.000 0.509 214 T N 3.614 118.225 114.554 0.095 0.000 2.902 214 T HA 0.449 4.799 4.350 0.000 0.000 0.280 214 T C -2.445 172.390 174.700 0.225 0.000 0.992 214 T CA -2.072 60.124 62.100 0.159 0.000 1.015 214 T CB 1.023 69.988 68.868 0.162 0.000 1.044 214 T HN 0.136 nan 8.240 nan 0.000 0.520 215 P HA 0.263 nan 4.420 nan 0.000 0.268 215 P C -0.460 176.928 177.300 0.147 0.000 1.205 215 P CA -0.209 62.971 63.100 0.133 0.000 0.771 215 P CB 0.336 32.094 31.700 0.097 0.000 0.858 216 N N 0.500 119.273 118.700 0.121 0.000 2.405 216 N HA 0.066 4.806 4.740 0.000 0.000 0.274 216 N C 0.882 176.443 175.510 0.086 0.000 1.170 216 N CA -0.319 52.796 53.050 0.109 0.000 0.848 216 N CB 1.621 40.124 38.487 0.027 0.000 1.629 216 N HN 0.237 nan 8.380 nan 0.000 0.481 217 S N 0.673 116.431 115.700 0.096 0.000 2.402 217 S HA -0.078 4.392 4.470 0.000 0.000 0.233 217 S C 0.772 175.358 174.600 -0.025 0.000 1.030 217 S CA 0.868 59.069 58.200 0.003 0.000 1.003 217 S CB -0.101 63.055 63.200 -0.074 0.000 0.813 217 S HN 0.478 nan 8.310 nan 0.000 0.477 218 S N 1.226 116.938 115.700 0.021 0.000 2.750 218 S HA 0.489 4.959 4.470 0.000 0.000 0.276 218 S C -1.438 173.189 174.600 0.044 0.000 1.165 218 S CA -0.808 57.424 58.200 0.053 0.000 1.047 218 S CB 1.034 64.310 63.200 0.127 0.000 1.056 218 S HN 0.650 nan 8.310 nan 0.000 0.481 219 Q N 1.911 121.762 119.800 0.085 0.000 2.353 219 Q HA 0.607 4.947 4.340 0.000 0.000 0.275 219 Q C -1.647 174.419 176.000 0.109 0.000 1.029 219 Q CA -1.053 54.808 55.803 0.096 0.000 0.848 219 Q CB 1.719 30.530 28.738 0.121 0.000 1.390 219 Q HN 0.365 nan 8.270 nan 0.000 0.401 220 T N 2.720 117.320 114.554 0.076 0.000 3.198 220 T HA 0.379 4.729 4.350 0.000 0.000 0.352 220 T C -2.735 171.835 174.700 -0.216 0.000 1.197 220 T CA -0.951 61.150 62.100 0.001 0.000 1.427 220 T CB 0.996 69.919 68.868 0.092 0.000 0.983 220 T HN 0.384 nan 8.240 nan 0.000 0.560 221 P HA 0.283 nan 4.420 nan 0.000 0.272 221 P C 0.163 177.227 177.300 -0.393 0.000 1.230 221 P CA -0.496 62.401 63.100 -0.338 0.000 0.788 221 P CB 0.406 31.954 31.700 -0.254 0.000 0.949 222 F N -1.497 118.139 119.950 -0.523 0.000 2.831 222 F HA 0.513 5.040 4.527 -0.000 0.000 0.334 222 F C 0.210 175.744 175.800 -0.443 0.000 1.071 222 F CA -0.336 57.374 58.000 -0.483 0.000 1.172 222 F CB 0.199 38.809 39.000 -0.651 0.000 1.054 222 F HN 0.226 nan 8.300 nan 0.000 0.572 223 S N 0.151 115.359 115.700 -0.821 0.000 2.537 223 S HA 0.194 4.664 4.470 0.000 0.000 0.271 223 S C -0.020 174.305 174.600 -0.459 0.000 1.148 223 S CA -0.437 57.444 58.200 -0.531 0.000 0.868 223 S CB 1.720 64.592 63.200 -0.546 0.000 1.115 223 S HN 0.327 nan 8.310 nan 0.000 0.461 224 Q N 1.296 120.932 119.800 -0.274 0.000 2.437 224 Q HA -0.008 4.332 4.340 0.000 0.000 0.210 224 Q C 0.836 176.676 176.000 -0.266 0.000 0.972 224 Q CA 1.681 57.348 55.803 -0.226 0.000 0.903 224 Q CB -0.032 28.621 28.738 -0.142 0.000 0.967 224 Q HN 0.796 nan 8.270 nan 0.000 0.486 225 T N -3.862 110.519 114.554 -0.289 0.000 3.339 225 T HA 0.414 4.764 4.350 0.000 0.000 0.292 225 T C 0.186 174.721 174.700 -0.276 0.000 1.012 225 T CA -0.175 61.752 62.100 -0.288 0.000 0.937 225 T CB 0.806 69.552 68.868 -0.204 0.000 1.164 225 T HN 0.158 nan 8.240 nan 0.000 0.509 226 G N 1.458 109.989 108.800 -0.449 0.000 2.356 226 G HA2 0.610 4.570 3.960 0.000 0.000 0.298 226 G HA3 0.610 4.570 3.960 0.000 0.000 0.298 226 G C -0.347 174.346 174.900 -0.345 0.000 1.145 226 G CA -0.490 44.309 45.100 -0.501 0.000 0.850 226 G HN 0.865 nan 8.290 nan 0.000 0.487 227 V N -0.074 119.837 119.914 -0.005 0.000 3.102 227 V HA 0.673 4.793 4.120 0.000 0.000 0.312 227 V C -0.445 175.800 176.094 0.252 0.000 1.135 227 V CA -1.246 61.113 62.300 0.099 0.000 1.022 227 V CB 1.653 33.547 31.823 0.120 0.000 1.056 227 V HN 0.724 nan 8.190 nan 0.000 0.436 228 Q N 0.933 120.894 119.800 0.269 0.000 2.193 228 Q HA 0.598 4.938 4.340 0.000 0.000 0.246 228 Q C -0.003 176.137 176.000 0.235 0.000 0.959 228 Q CA -0.313 55.702 55.803 0.353 0.000 0.904 228 Q CB 1.888 30.825 28.738 0.331 0.000 1.238 228 Q HN 1.048 nan 8.270 nan 0.000 0.469 229 T N -2.419 112.267 114.554 0.220 0.000 2.944 229 T HA 0.662 5.012 4.350 0.000 0.000 0.284 229 T C -0.135 174.606 174.700 0.067 0.000 1.010 229 T CA -0.781 61.399 62.100 0.133 0.000 1.025 229 T CB 1.189 70.176 68.868 0.197 0.000 1.079 229 T HN 0.631 nan 8.240 nan 0.000 0.516 230 A N 1.662 124.327 122.820 -0.258 0.000 2.520 230 A HA 0.478 4.798 4.320 0.000 0.000 0.245 230 A C -0.052 177.482 177.584 -0.084 0.000 1.072 230 A CA -0.462 51.344 52.037 -0.384 0.000 0.761 230 A CB -0.615 17.932 19.000 -0.756 0.000 1.004 230 A HN 0.924 nan 8.150 nan 0.000 0.499 231 L N 3.347 124.530 121.223 -0.066 0.000 2.295 231 L HA 0.740 5.080 4.340 0.000 0.000 0.285 231 L C -0.305 176.564 176.870 -0.002 0.000 1.035 231 L CA -0.420 54.413 54.840 -0.012 0.000 0.806 231 L CB 1.436 43.391 42.059 -0.172 0.000 1.214 231 L HN 0.774 nan 8.230 nan 0.000 0.426 232 M N 5.917 125.579 119.600 0.104 0.000 2.364 232 M HA 0.683 5.163 4.480 0.000 0.000 0.334 232 M C -1.252 175.215 176.300 0.278 0.000 1.107 232 M CA 0.031 55.398 55.300 0.112 0.000 0.988 232 M CB 1.450 34.042 32.600 -0.012 0.000 1.673 232 M HN 0.661 nan 8.290 nan 0.000 0.441 233 M N 3.126 122.843 119.600 0.196 0.000 2.575 233 M HA 0.481 4.961 4.480 0.000 0.000 0.284 233 M C -1.280 175.071 176.300 0.086 0.000 1.253 233 M CA -0.789 54.626 55.300 0.192 0.000 0.861 233 M CB 2.823 35.505 32.600 0.136 0.000 1.733 233 M HN 0.588 nan 8.290 nan 0.000 0.462 234 K N 1.607 122.018 120.400 0.019 0.000 2.507 234 K HA 0.528 4.848 4.320 0.000 0.000 0.252 234 K C -0.890 175.558 176.600 -0.254 0.000 0.943 234 K CA -0.369 55.783 56.287 -0.224 0.000 0.808 234 K CB 1.720 34.160 32.500 -0.100 0.000 1.142 234 K HN 0.813 nan 8.250 nan 0.000 0.426 235 T N 0.098 114.411 114.554 -0.401 0.000 2.918 235 T HA 0.191 4.541 4.350 0.000 0.000 0.283 235 T C 0.645 175.265 174.700 -0.134 0.000 1.001 235 T CA -0.546 61.379 62.100 -0.292 0.000 1.041 235 T CB 1.081 69.700 68.868 -0.414 0.000 1.028 235 T HN 0.466 nan 8.240 nan 0.000 0.511 236 D N 0.725 121.123 120.400 -0.004 0.000 2.264 236 D HA -0.040 4.600 4.640 0.000 0.000 0.208 236 D C 1.072 177.362 176.300 -0.016 0.000 0.966 236 D CA 0.958 54.957 54.000 -0.003 0.000 0.864 236 D CB -0.119 40.701 40.800 0.034 0.000 0.933 236 D HN 0.828 nan 8.370 nan 0.000 0.499 237 D N -0.905 119.484 120.400 -0.017 0.000 2.561 237 D HA 0.211 4.851 4.640 0.000 0.000 0.232 237 D C 1.254 177.540 176.300 -0.024 0.000 1.198 237 D CA -0.096 53.902 54.000 -0.005 0.000 0.826 237 D CB -0.319 40.496 40.800 0.025 0.000 0.992 237 D HN 0.113 nan 8.370 nan 0.000 0.490 238 G N 0.123 108.874 108.800 -0.081 0.000 2.153 238 G HA2 -0.265 3.695 3.960 0.000 0.000 0.252 238 G HA3 -0.265 3.695 3.960 0.000 0.000 0.252 238 G C -0.045 174.755 174.900 -0.168 0.000 0.994 238 G CA 0.335 45.373 45.100 -0.104 0.000 0.698 238 G HN 0.443 nan 8.290 nan 0.000 0.521 239 L N -1.048 120.024 121.223 -0.253 0.000 2.352 239 L HA 0.729 5.069 4.340 0.000 0.000 0.269 239 L C -0.085 176.479 176.870 -0.510 0.000 1.034 239 L CA -1.387 53.306 54.840 -0.245 0.000 0.806 239 L CB 1.327 43.304 42.059 -0.135 0.000 1.244 239 L HN 0.058 nan 8.230 nan 0.000 0.447 240 Y N 1.836 122.049 120.300 -0.144 0.000 2.331 240 Y HA 0.569 5.119 4.550 0.000 0.000 0.334 240 Y C -0.166 175.646 175.900 -0.147 0.000 0.960 240 Y CA -0.419 57.594 58.100 -0.145 0.000 1.130 240 Y CB 1.678 40.052 38.460 -0.143 0.000 1.164 240 Y HN 0.266 nan 8.280 nan 0.000 0.458 241 I N 3.748 124.310 120.570 -0.013 0.000 2.498 241 I HA 0.332 4.502 4.170 0.000 0.000 0.290 241 I C -0.832 175.289 176.117 0.007 0.000 1.032 241 I CA -0.843 60.448 61.300 -0.015 0.000 1.073 241 I CB 1.905 39.892 38.000 -0.021 0.000 1.251 241 I HN 0.583 nan 8.210 nan 0.000 0.426 242 N N 7.572 126.269 118.700 -0.006 0.000 2.354 242 N HA 0.515 5.255 4.740 0.000 0.000 0.287 242 N C -1.720 173.762 175.510 -0.047 0.000 1.016 242 N CA -0.420 52.614 53.050 -0.028 0.000 0.871 242 N CB 1.899 40.366 38.487 -0.032 0.000 1.299 242 N HN 0.536 nan 8.380 nan 0.000 0.482 243 L N 3.134 124.293 121.223 -0.108 0.000 2.313 243 L HA 0.483 4.823 4.340 0.000 0.000 0.283 243 L C -0.285 176.528 176.870 -0.095 0.000 1.013 243 L CA -0.617 54.100 54.840 -0.205 0.000 0.816 243 L CB 1.442 43.239 42.059 -0.436 0.000 1.236 243 L HN 0.638 nan 8.230 nan 0.000 0.419 244 H N 1.778 120.729 119.070 -0.199 0.000 3.054 244 H HA 0.510 5.066 4.556 0.000 0.000 0.271 244 H C -1.628 173.646 175.328 -0.091 0.000 1.551 244 H CA -0.756 55.222 56.048 -0.116 0.000 1.196 244 H CB 1.593 31.309 29.762 -0.077 0.000 1.867 244 H HN 0.655 nan 8.280 nan 0.000 0.637 245 E N 0.659 120.577 120.200 -0.470 0.000 2.416 245 E HA 0.782 5.132 4.350 0.000 0.000 0.273 245 E C -1.643 174.700 176.600 -0.430 0.000 0.935 245 E CA -1.450 54.753 56.400 -0.328 0.000 0.784 245 E CB 2.898 32.492 29.700 -0.177 0.000 1.301 245 E HN 0.659 nan 8.360 nan 0.000 0.454 246 A N 0.876 123.597 122.820 -0.164 0.000 2.449 246 A HA 0.732 5.052 4.320 0.000 0.000 0.302 246 A C -0.139 177.466 177.584 0.035 0.000 1.048 246 A CA -0.356 51.623 52.037 -0.097 0.000 0.708 246 A CB 1.401 20.337 19.000 -0.107 0.000 1.274 246 A HN 1.827 nan 8.150 nan 0.000 0.410 247 A N 0.326 123.161 122.820 0.025 0.000 2.734 247 A HA -0.084 4.236 4.320 0.000 0.000 0.296 247 A C 0.010 177.629 177.584 0.057 0.000 1.474 247 A CA 0.667 52.745 52.037 0.069 0.000 0.735 247 A CB -2.217 16.866 19.000 0.138 0.000 1.062 247 A HN 2.124 nan 8.150 nan 0.000 0.463 248 L N 0.877 122.132 121.223 0.054 0.000 2.536 248 L HA 0.542 4.882 4.340 0.000 0.000 0.282 248 L C -0.146 176.800 176.870 0.128 0.000 1.174 248 L CA 0.381 55.272 54.840 0.086 0.000 0.989 248 L CB 0.398 42.513 42.059 0.093 0.000 1.311 248 L HN 0.496 nan 8.230 nan 0.000 0.455 249 V N 3.811 123.798 119.914 0.121 0.000 2.709 249 V HA 0.381 4.501 4.120 0.000 0.000 0.308 249 V C -0.374 175.809 176.094 0.149 0.000 1.062 249 V CA -0.943 61.436 62.300 0.131 0.000 0.901 249 V CB 1.797 33.688 31.823 0.113 0.000 1.003 249 V HN 0.616 nan 8.190 nan 0.000 0.425 250 D N 2.453 122.939 120.400 0.143 0.000 2.686 250 D HA -0.228 4.412 4.640 0.000 0.000 0.235 250 D C -0.809 175.640 176.300 0.248 0.000 1.160 250 D CA 1.376 55.460 54.000 0.141 0.000 0.645 250 D CB -0.662 40.200 40.800 0.103 0.000 1.039 250 D HN 0.594 nan 8.370 nan 0.000 0.423 251 Y N -1.094 119.242 120.300 0.060 0.000 2.702 251 Y HA 0.314 4.864 4.550 -0.000 0.000 0.336 251 Y C -0.670 175.282 175.900 0.086 0.000 1.203 251 Y CA -0.720 57.417 58.100 0.062 0.000 1.072 251 Y CB 1.274 39.769 38.460 0.059 0.000 1.327 251 Y HN -0.129 nan 8.280 nan 0.000 0.456 252 S N 1.464 117.096 115.700 -0.114 0.000 2.586 252 S HA 0.337 4.807 4.470 0.000 0.000 0.274 252 S C -0.332 174.357 174.600 0.148 0.000 1.281 252 S CA -0.480 57.727 58.200 0.013 0.000 1.035 252 S CB 0.343 63.475 63.200 -0.112 0.000 0.962 252 S HN 0.832 nan 8.310 nan 0.000 0.512 253 C N 6.861 126.266 119.300 0.175 0.000 2.642 253 C HA 0.292 4.752 4.460 0.000 0.000 0.420 253 C C 0.556 175.538 174.990 -0.014 0.000 1.349 253 C CA -0.297 58.786 59.018 0.108 0.000 1.821 253 C CB -1.194 26.625 27.740 0.132 0.000 2.637 253 C HN 0.896 nan 8.230 nan 0.000 0.605 254 M N 6.997 126.582 119.600 -0.025 0.000 2.209 254 M HA 0.410 4.890 4.480 0.000 0.000 0.355 254 M C -0.379 175.853 176.300 -0.113 0.000 1.171 254 M CA 0.080 55.393 55.300 0.022 0.000 1.069 254 M CB 0.342 33.036 32.600 0.155 0.000 1.622 254 M HN 0.815 nan 8.290 nan 0.000 0.459 255 H N 4.365 123.635 119.070 0.332 0.000 2.771 255 H HA 0.645 5.201 4.556 -0.000 0.000 0.344 255 H C -1.173 174.392 175.328 0.395 0.000 1.260 255 H CA -0.696 55.574 56.048 0.370 0.000 1.276 255 H CB 1.564 31.602 29.762 0.461 0.000 1.881 255 H HN 0.638 nan 8.280 nan 0.000 0.615 256 L N 1.351 122.906 121.223 0.553 0.000 2.386 256 L HA 0.288 4.628 4.340 0.000 0.000 0.271 256 L C -0.316 176.898 176.870 0.573 0.000 0.993 256 L CA -0.778 54.368 54.840 0.510 0.000 0.819 256 L CB 1.890 44.122 42.059 0.289 0.000 1.294 256 L HN 0.444 nan 8.230 nan 0.000 0.414 257 N N 2.475 121.530 118.700 0.592 0.000 2.372 257 N HA 0.481 5.221 4.740 0.000 0.000 0.285 257 N C -1.362 174.352 175.510 0.340 0.000 1.008 257 N CA -0.482 52.833 53.050 0.441 0.000 0.880 257 N CB 1.659 40.456 38.487 0.516 0.000 1.239 257 N HN 0.407 nan 8.380 nan 0.000 0.484 258 L N 2.720 124.017 121.223 0.123 0.000 2.276 258 L HA 0.433 4.773 4.340 0.000 0.000 0.286 258 L C -0.503 176.285 176.870 -0.137 0.000 1.061 258 L CA -0.339 54.394 54.840 -0.179 0.000 0.807 258 L CB 0.871 42.665 42.059 -0.441 0.000 1.177 258 L HN 0.538 nan 8.230 nan 0.000 0.429 259 D N 3.378 123.694 120.400 -0.141 0.000 2.441 259 D HA 0.079 4.719 4.640 0.000 0.000 0.221 259 D C 0.041 176.244 176.300 -0.161 0.000 1.156 259 D CA -0.312 53.637 54.000 -0.086 0.000 0.896 259 D CB 0.779 41.558 40.800 -0.035 0.000 1.028 259 D HN 0.650 nan 8.370 nan 0.000 0.509 260 D N 2.734 123.039 120.400 -0.158 0.000 2.323 260 D HA -0.085 4.555 4.640 0.000 0.000 0.239 260 D C 0.977 177.203 176.300 -0.124 0.000 1.129 260 D CA 0.007 53.903 54.000 -0.173 0.000 0.865 260 D CB 0.475 41.172 40.800 -0.172 0.000 0.913 260 D HN 0.215 nan 8.370 nan 0.000 0.517 261 K N 0.580 120.921 120.400 -0.097 0.000 2.262 261 K HA 0.096 4.416 4.320 0.000 0.000 0.200 261 K C 0.875 177.430 176.600 -0.074 0.000 1.058 261 K CA 0.360 56.603 56.287 -0.072 0.000 0.974 261 K CB 0.210 32.680 32.500 -0.051 0.000 0.910 261 K HN -0.004 nan 8.250 nan 0.000 0.484 262 N N 0.870 119.525 118.700 -0.076 0.000 2.236 262 N HA 0.048 4.788 4.740 0.000 0.000 0.196 262 N C -0.198 175.255 175.510 -0.094 0.000 1.114 262 N CA 0.089 53.097 53.050 -0.069 0.000 0.859 262 N CB 0.383 38.842 38.487 -0.045 0.000 0.982 262 N HN 0.069 nan 8.380 nan 0.000 0.493 263 M N 0.539 120.052 119.600 -0.145 0.000 2.298 263 M HA -0.142 4.338 4.480 0.000 0.000 0.196 263 M C -1.195 174.992 176.300 -0.188 0.000 0.531 263 M CA 0.421 55.592 55.300 -0.214 0.000 0.459 263 M CB -2.430 30.054 32.600 -0.193 0.000 1.279 263 M HN -0.264 nan 8.290 nan 0.000 0.915 264 V N 0.814 120.626 119.914 -0.170 0.000 2.448 264 V HA 0.578 4.698 4.120 0.000 0.000 0.295 264 V C 0.102 176.174 176.094 -0.037 0.000 1.025 264 V CA -0.645 61.636 62.300 -0.032 0.000 0.859 264 V CB 2.062 33.908 31.823 0.038 0.000 0.988 264 V HN 0.273 nan 8.190 nan 0.000 0.431 265 F N 2.772 122.874 119.950 0.254 0.000 2.385 265 F HA 0.595 5.122 4.527 0.000 0.000 0.336 265 F C 0.463 176.535 175.800 0.454 0.000 1.100 265 F CA -0.266 57.928 58.000 0.322 0.000 1.116 265 F CB 1.365 40.562 39.000 0.328 0.000 1.166 265 F HN 0.496 nan 8.300 nan 0.000 0.511 266 E N 0.755 121.340 120.200 0.642 0.000 2.314 266 E HA 0.380 4.730 4.350 0.000 0.000 0.272 266 E C -1.107 175.853 176.600 0.599 0.000 0.884 266 E CA -0.866 55.879 56.400 0.575 0.000 0.753 266 E CB 1.570 31.529 29.700 0.433 0.000 1.213 266 E HN 0.609 nan 8.360 nan 0.000 0.432 267 S N 3.550 119.591 115.700 0.569 0.000 2.546 267 S HA 0.010 4.480 4.470 0.000 0.000 0.290 267 S C -0.498 174.350 174.600 0.412 0.000 1.290 267 S CA -0.519 57.975 58.200 0.491 0.000 1.069 267 S CB 0.369 63.826 63.200 0.428 0.000 0.846 267 S HN 0.538 nan 8.310 nan 0.000 0.495 268 W N 5.725 127.138 121.300 0.188 0.000 2.591 268 W HA 0.403 5.063 4.660 0.000 0.000 0.311 268 W C -1.612 174.928 176.519 0.036 0.000 1.003 268 W CA -1.305 56.069 57.345 0.049 0.000 1.332 268 W CB 0.708 30.136 29.460 -0.053 0.000 1.272 268 W HN 0.694 nan 8.180 nan 0.000 0.412 269 L N 3.798 125.047 121.223 0.043 0.000 2.466 269 L HA 0.347 4.687 4.340 0.000 0.000 0.257 269 L C 1.060 177.976 176.870 0.078 0.000 1.189 269 L CA -0.101 54.778 54.840 0.063 0.000 0.813 269 L CB 0.539 42.549 42.059 -0.081 0.000 1.118 269 L HN 0.149 nan 8.230 nan 0.000 0.471 270 T N 2.595 117.196 114.554 0.078 0.000 2.761 270 T HA 0.253 4.603 4.350 0.000 0.000 0.296 270 T C -2.248 172.321 174.700 -0.218 0.000 0.934 270 T CA -0.945 61.089 62.100 -0.110 0.000 1.091 270 T CB 0.838 69.799 68.868 0.155 0.000 0.896 270 T HN 0.402 nan 8.240 nan 0.000 0.515 271 P HA 0.228 nan 4.420 nan 0.000 0.276 271 P C -0.621 176.669 177.300 -0.017 0.000 1.244 271 P CA -0.513 62.486 63.100 -0.168 0.000 0.801 271 P CB 0.853 32.464 31.700 -0.148 0.000 1.006 272 D N 0.577 120.973 120.400 -0.006 0.000 2.507 272 D HA 0.211 4.851 4.640 0.000 0.000 0.280 272 D C 1.325 177.592 176.300 -0.055 0.000 1.219 272 D CA -0.680 53.310 54.000 -0.017 0.000 1.085 272 D CB -0.536 40.254 40.800 -0.017 0.000 1.134 272 D HN 0.284 nan 8.370 nan 0.000 0.583 273 A N -0.886 121.851 122.820 -0.140 0.000 2.125 273 A HA -0.144 4.176 4.320 0.000 0.000 0.219 273 A C 1.695 179.229 177.584 -0.082 0.000 1.156 273 A CA 1.207 53.155 52.037 -0.148 0.000 0.671 273 A CB -0.602 18.267 19.000 -0.217 0.000 0.794 273 A HN 0.518 nan 8.150 nan 0.000 0.459 274 K N -2.041 118.325 120.400 -0.058 0.000 2.358 274 K HA 0.302 4.622 4.320 0.000 0.000 0.200 274 K C 1.001 177.598 176.600 -0.005 0.000 1.030 274 K CA 0.449 56.719 56.287 -0.028 0.000 1.097 274 K CB 0.378 32.866 32.500 -0.020 0.000 0.862 274 K HN 0.555 nan 8.250 nan 0.000 0.534 275 G N 1.627 110.427 108.800 -0.000 0.000 2.175 275 G HA2 -0.194 3.766 3.960 0.000 0.000 0.244 275 G HA3 -0.194 3.766 3.960 0.000 0.000 0.244 275 G C -0.295 174.582 174.900 -0.039 0.000 0.982 275 G CA -0.104 44.995 45.100 -0.001 0.000 0.641 275 G HN 0.259 nan 8.290 nan 0.000 0.527 276 D N 0.219 120.601 120.400 -0.030 0.000 2.329 276 D HA 0.464 5.104 4.640 0.000 0.000 0.246 276 D C 0.889 177.136 176.300 -0.089 0.000 1.111 276 D CA 0.048 54.009 54.000 -0.066 0.000 0.941 276 D CB 0.722 41.496 40.800 -0.044 0.000 1.169 276 D HN 0.293 nan 8.370 nan 0.000 0.441 277 K N 0.143 120.448 120.400 -0.158 0.000 2.896 277 K HA 0.456 4.776 4.320 0.000 0.000 0.210 277 K C -0.097 176.344 176.600 -0.265 0.000 1.116 277 K CA -0.533 55.638 56.287 -0.194 0.000 1.050 277 K CB 1.150 33.509 32.500 -0.235 0.000 0.812 277 K HN 0.598 nan 8.250 nan 0.000 0.462 278 G N 1.146 109.823 108.800 -0.205 0.000 2.621 278 G HA2 -0.074 3.886 3.960 0.000 0.000 0.355 278 G HA3 -0.074 3.886 3.960 0.000 0.000 0.355 278 G C -1.770 172.962 174.900 -0.280 0.000 1.509 278 G CA -1.020 43.933 45.100 -0.244 0.000 1.000 278 G HN 0.080 nan 8.290 nan 0.000 0.646 279 Y N 3.094 123.285 120.300 -0.182 0.000 2.353 279 Y HA 0.712 5.262 4.550 0.000 0.000 0.340 279 Y C 0.824 176.571 175.900 -0.255 0.000 0.972 279 Y CA -0.652 57.342 58.100 -0.177 0.000 1.157 279 Y CB 1.414 39.834 38.460 -0.067 0.000 1.157 279 Y HN 0.453 nan 8.280 nan 0.000 0.495 280 M N 3.226 122.552 119.600 -0.457 0.000 2.598 280 M HA 0.446 4.926 4.480 0.000 0.000 0.317 280 M C -0.893 175.085 176.300 -0.536 0.000 1.179 280 M CA -0.832 54.083 55.300 -0.641 0.000 0.936 280 M CB 2.100 33.827 32.600 -1.456 0.000 1.713 280 M HN 0.593 nan 8.290 nan 0.000 0.460 281 Q N 1.622 121.197 119.800 -0.374 0.000 2.275 281 Q HA 0.374 4.714 4.340 0.000 0.000 0.258 281 Q C -1.014 174.859 176.000 -0.211 0.000 0.960 281 Q CA -0.290 55.264 55.803 -0.414 0.000 0.801 281 Q CB 1.912 30.373 28.738 -0.462 0.000 1.302 281 Q HN 0.902 nan 8.270 nan 0.000 0.433 282 T N 1.632 116.118 114.554 -0.113 0.000 2.918 282 T HA 0.435 4.785 4.350 0.000 0.000 0.302 282 T C -2.133 172.550 174.700 -0.028 0.000 1.045 282 T CA -1.039 61.079 62.100 0.030 0.000 1.114 282 T CB 0.703 69.640 68.868 0.116 0.000 0.965 282 T HN 0.396 nan 8.240 nan 0.000 0.540 283 P HA 0.413 nan 4.420 nan 0.000 0.280 283 P C -0.443 176.901 177.300 0.074 0.000 1.244 283 P CA -0.518 62.620 63.100 0.063 0.000 0.784 283 P CB 0.267 31.988 31.700 0.035 0.000 0.913 284 C N 1.225 120.618 119.300 0.156 0.000 3.288 284 C HA 0.683 5.143 4.460 0.000 0.000 0.318 284 C C -1.130 173.990 174.990 0.216 0.000 1.356 284 C CA -0.810 58.306 59.018 0.163 0.000 1.359 284 C CB 1.714 29.547 27.740 0.155 0.000 1.688 284 C HN 0.536 nan 8.230 nan 0.000 0.467 285 N N 0.187 118.950 118.700 0.105 0.000 2.357 285 N HA 0.694 5.434 4.740 0.000 0.000 0.284 285 N C -0.562 174.900 175.510 -0.079 0.000 1.236 285 N CA -0.171 52.846 53.050 -0.055 0.000 0.774 285 N CB 2.229 40.577 38.487 -0.232 0.000 1.534 285 N HN 1.030 nan 8.380 nan 0.000 0.478 286 T N -2.230 112.195 114.554 -0.214 0.000 2.847 286 T HA 0.549 4.899 4.350 0.000 0.000 0.279 286 T C -2.543 171.836 174.700 -0.536 0.000 0.984 286 T CA -1.457 60.312 62.100 -0.551 0.000 0.988 286 T CB 1.141 69.797 68.868 -0.354 0.000 1.040 286 T HN 0.124 nan 8.240 nan 0.000 0.528 287 P HA 0.268 nan 4.420 nan 0.000 0.275 287 P C -0.775 176.339 177.300 -0.309 0.000 1.266 287 P CA -0.653 62.267 63.100 -0.300 0.000 0.793 287 P CB 0.332 31.931 31.700 -0.168 0.000 1.074 288 W N 0.494 121.651 121.300 -0.238 0.000 2.184 288 W HA 0.404 5.064 4.660 0.000 0.000 0.338 288 W C 0.536 176.847 176.519 -0.347 0.000 1.257 288 W CA 0.261 57.428 57.345 -0.296 0.000 1.243 288 W CB 0.290 29.599 29.460 -0.252 0.000 1.122 288 W HN 0.072 nan 8.180 nan 0.000 0.585 289 R N 1.074 121.385 120.500 -0.316 0.000 2.494 289 R HA 0.546 4.886 4.340 0.000 0.000 0.305 289 R C -0.288 175.820 176.300 -0.321 0.000 0.959 289 R CA -0.632 55.222 56.100 -0.409 0.000 0.864 289 R CB 1.329 31.161 30.300 -0.779 0.000 1.159 289 R HN 0.418 nan 8.270 nan 0.000 0.446 290 T N -0.443 114.045 114.554 -0.111 0.000 2.887 290 T HA 0.732 5.082 4.350 0.000 0.000 0.288 290 T C -0.287 174.448 174.700 0.058 0.000 1.021 290 T CA -0.778 61.314 62.100 -0.013 0.000 1.000 290 T CB 1.119 69.960 68.868 -0.045 0.000 1.034 290 T HN 0.277 nan 8.240 nan 0.000 0.467 291 I N 2.673 123.327 120.570 0.140 0.000 2.466 291 I HA 0.412 4.582 4.170 0.000 0.000 0.279 291 I C -0.520 175.655 176.117 0.097 0.000 1.033 291 I CA -0.527 60.869 61.300 0.160 0.000 1.123 291 I CB 1.292 39.485 38.000 0.322 0.000 1.237 291 I HN 0.636 nan 8.210 nan 0.000 0.460 292 I N 6.504 127.090 120.570 0.027 0.000 2.331 292 I HA 0.570 4.740 4.170 0.000 0.000 0.292 292 I C -0.432 175.662 176.117 -0.038 0.000 0.998 292 I CA -0.799 60.490 61.300 -0.018 0.000 1.267 292 I CB 1.683 39.650 38.000 -0.056 0.000 1.386 292 I HN 0.280 nan 8.210 nan 0.000 0.476 293 V N 5.454 125.315 119.914 -0.089 0.000 2.971 293 V HA 0.800 4.920 4.120 0.000 0.000 0.309 293 V C -0.963 174.886 176.094 -0.408 0.000 1.130 293 V CA 0.018 62.192 62.300 -0.210 0.000 0.964 293 V CB 2.458 34.145 31.823 -0.226 0.000 1.029 293 V HN 0.841 nan 8.190 nan 0.000 0.427 294 S N 2.362 117.801 115.700 -0.436 0.000 2.595 294 S HA 0.419 4.889 4.470 0.000 0.000 0.270 294 S C -0.884 173.657 174.600 -0.097 0.000 1.145 294 S CA 0.201 58.160 58.200 -0.402 0.000 0.825 294 S CB 1.851 64.988 63.200 -0.105 0.000 1.107 294 S HN 1.097 nan 8.310 nan 0.000 0.461 295 D N 0.695 121.185 120.400 0.149 0.000 2.328 295 D HA 0.240 4.880 4.640 0.000 0.000 0.221 295 D C -0.175 176.290 176.300 0.276 0.000 1.072 295 D CA 0.080 54.240 54.000 0.265 0.000 0.850 295 D CB 0.139 41.128 40.800 0.316 0.000 0.922 295 D HN 0.300 nan 8.370 nan 0.000 0.516 296 D N 0.115 120.616 120.400 0.168 0.000 2.505 296 D HA 0.409 5.049 4.640 0.000 0.000 0.250 296 D C 0.929 177.118 176.300 -0.186 0.000 1.164 296 D CA -0.639 53.379 54.000 0.030 0.000 0.870 296 D CB 1.814 42.634 40.800 0.033 0.000 1.160 296 D HN -0.043 nan 8.370 nan 0.000 0.549 297 A N 4.534 126.999 122.820 -0.592 0.000 1.986 297 A HA -0.208 4.112 4.320 0.000 0.000 0.220 297 A C 1.958 179.375 177.584 -0.278 0.000 1.171 297 A CA 1.241 52.804 52.037 -0.789 0.000 0.640 297 A CB -0.192 18.121 19.000 -1.146 0.000 0.811 297 A HN 0.657 nan 8.150 nan 0.000 0.451 298 R N -0.394 119.974 120.500 -0.220 0.000 2.152 298 R HA -0.099 4.241 4.340 0.000 0.000 0.232 298 R C 1.673 177.800 176.300 -0.289 0.000 1.117 298 R CA 1.484 57.453 56.100 -0.219 0.000 0.981 298 R CB -0.431 29.826 30.300 -0.071 0.000 0.870 298 R HN 0.703 nan 8.270 nan 0.000 0.451 299 N N 0.170 118.758 118.700 -0.186 0.000 2.459 299 N HA -0.064 4.676 4.740 0.000 0.000 0.181 299 N C 1.315 176.700 175.510 -0.208 0.000 1.046 299 N CA 0.250 53.207 53.050 -0.156 0.000 0.904 299 N CB 0.154 38.603 38.487 -0.062 0.000 0.964 299 N HN 0.098 nan 8.380 nan 0.000 0.444 300 I N 1.119 121.553 120.570 -0.226 0.000 2.286 300 I HA -0.165 4.005 4.170 0.000 0.000 0.245 300 I C 2.067 177.967 176.117 -0.361 0.000 1.104 300 I CA 1.073 62.253 61.300 -0.201 0.000 1.397 300 I CB -0.978 36.988 38.000 -0.056 0.000 1.072 300 I HN 0.192 nan 8.210 nan 0.000 0.417 301 L N 0.694 121.547 121.223 -0.617 0.000 2.141 301 L HA -0.123 4.217 4.340 0.000 0.000 0.209 301 L C 2.578 178.918 176.870 -0.882 0.000 1.094 301 L CA 1.204 55.491 54.840 -0.921 0.000 0.763 301 L CB -0.678 40.529 42.059 -1.420 0.000 0.908 301 L HN 0.166 nan 8.230 nan 0.000 0.437 302 A N -0.990 121.380 122.820 -0.749 0.000 2.167 302 A HA -0.036 4.284 4.320 0.000 0.000 0.214 302 A C 1.462 178.945 177.584 -0.169 0.000 1.151 302 A CA 0.272 52.129 52.037 -0.300 0.000 0.735 302 A CB -0.232 18.715 19.000 -0.089 0.000 0.802 302 A HN 0.287 nan 8.150 nan 0.000 0.467 303 S N -0.026 115.549 115.700 -0.209 0.000 2.562 303 S HA 0.243 4.713 4.470 0.000 0.000 0.281 303 S C 0.754 175.260 174.600 -0.157 0.000 1.333 303 S CA -0.308 57.794 58.200 -0.164 0.000 1.052 303 S CB 0.187 63.285 63.200 -0.171 0.000 0.884 303 S HN 0.401 nan 8.310 nan 0.000 0.506 304 R N 4.073 124.480 120.500 -0.155 0.000 2.629 304 R HA 0.299 4.639 4.340 0.000 0.000 0.386 304 R C 1.221 177.405 176.300 -0.195 0.000 1.071 304 R CA -0.131 55.893 56.100 -0.126 0.000 1.104 304 R CB -0.531 29.721 30.300 -0.080 0.000 1.370 304 R HN 0.674 nan 8.270 nan 0.000 0.574 305 I N 0.496 120.855 120.570 -0.352 0.000 2.208 305 I HA -0.289 3.881 4.170 0.000 0.000 0.245 305 I C 1.714 177.594 176.117 -0.396 0.000 1.097 305 I CA 1.648 62.576 61.300 -0.621 0.000 1.363 305 I CB -0.213 37.381 38.000 -0.676 0.000 1.051 305 I HN 0.085 nan 8.210 nan 0.000 0.413 306 T N 1.344 115.761 114.554 -0.229 0.000 2.652 306 T HA -0.178 4.172 4.350 0.000 0.000 0.267 306 T C 1.941 176.567 174.700 -0.122 0.000 1.039 306 T CA 1.371 63.380 62.100 -0.152 0.000 1.153 306 T CB -0.409 68.433 68.868 -0.043 0.000 0.863 306 T HN 0.246 nan 8.240 nan 0.000 0.428 307 L N 1.049 122.245 121.223 -0.046 0.000 2.046 307 L HA -0.091 4.249 4.340 0.000 0.000 0.208 307 L C 2.591 179.468 176.870 0.013 0.000 1.077 307 L CA 0.943 55.809 54.840 0.044 0.000 0.747 307 L CB -0.592 41.592 42.059 0.208 0.000 0.896 307 L HN 0.213 nan 8.230 nan 0.000 0.432 308 N N 0.192 118.908 118.700 0.027 0.000 2.289 308 N HA -0.121 4.619 4.740 0.000 0.000 0.184 308 N C 1.707 177.102 175.510 -0.191 0.000 1.016 308 N CA 1.119 54.185 53.050 0.027 0.000 0.872 308 N CB -0.099 38.460 38.487 0.120 0.000 0.973 308 N HN 0.357 nan 8.380 nan 0.000 0.433 309 L N -0.068 120.951 121.223 -0.340 0.000 2.591 309 L HA 0.092 4.432 4.340 0.000 0.000 0.228 309 L C 0.470 177.128 176.870 -0.353 0.000 1.133 309 L CA 0.098 54.579 54.840 -0.600 0.000 0.880 309 L CB -0.114 41.370 42.059 -0.959 0.000 1.033 309 L HN 0.041 nan 8.230 nan 0.000 0.450 310 N N 0.465 119.026 118.700 -0.233 0.000 2.508 310 N HA 0.126 4.866 4.740 0.000 0.000 0.285 310 N C -0.145 175.238 175.510 -0.211 0.000 1.144 310 N CA -0.465 52.493 53.050 -0.153 0.000 0.978 310 N CB 1.114 39.523 38.487 -0.131 0.000 1.180 310 N HN -0.002 nan 8.380 nan 0.000 0.484 311 E N 1.454 121.561 120.200 -0.154 0.000 2.415 311 E HA 0.155 4.505 4.350 0.000 0.000 0.262 311 E C -2.040 174.387 176.600 -0.288 0.000 1.038 311 E CA -1.311 54.978 56.400 -0.186 0.000 0.921 311 E CB -0.117 29.508 29.700 -0.126 0.000 0.950 311 E HN 0.290 nan 8.360 nan 0.000 0.438 312 P HA -0.068 nan 4.420 nan 0.000 0.269 312 P C -0.007 177.110 177.300 -0.305 0.000 1.217 312 P CA -0.268 62.618 63.100 -0.356 0.000 0.783 312 P CB 0.458 31.999 31.700 -0.264 0.000 0.898 313 C N 3.237 122.361 119.300 -0.295 0.000 2.334 313 C HA -0.073 4.387 4.460 0.000 0.000 0.395 313 C C 1.402 176.256 174.990 -0.228 0.000 1.507 313 C CA 0.681 59.547 59.018 -0.254 0.000 1.494 313 C CB -1.632 26.006 27.740 -0.170 0.000 2.509 313 C HN 0.523 nan 8.230 nan 0.000 0.599 314 K N 4.578 124.794 120.400 -0.308 0.000 2.373 314 K HA 0.286 4.606 4.320 0.000 0.000 0.202 314 K C -0.123 176.438 176.600 -0.065 0.000 1.025 314 K CA 0.267 56.424 56.287 -0.216 0.000 1.115 314 K CB 0.274 32.575 32.500 -0.332 0.000 0.858 314 K HN 0.681 nan 8.250 nan 0.000 0.525 315 I N 1.483 122.030 120.570 -0.038 0.000 2.361 315 I HA 0.131 4.301 4.170 0.000 0.000 0.282 315 I C 1.221 177.372 176.117 0.057 0.000 1.075 315 I CA -0.380 60.973 61.300 0.089 0.000 1.205 315 I CB 1.278 39.361 38.000 0.138 0.000 1.406 315 I HN 0.052 nan 8.210 nan 0.000 0.481 316 A N 4.874 127.735 122.820 0.068 0.000 1.927 316 A HA -0.232 4.088 4.320 0.000 0.000 0.220 316 A C 1.672 179.297 177.584 0.068 0.000 1.185 316 A CA 2.261 54.329 52.037 0.052 0.000 0.639 316 A CB -0.311 18.721 19.000 0.053 0.000 0.820 316 A HN 0.809 nan 8.150 nan 0.000 0.451 317 D N -1.053 119.430 120.400 0.139 0.000 2.427 317 D HA 0.457 5.097 4.640 0.000 0.000 0.224 317 D C 1.252 177.624 176.300 0.121 0.000 1.157 317 D CA 0.606 54.706 54.000 0.166 0.000 0.828 317 D CB -0.325 40.620 40.800 0.241 0.000 0.974 317 D HN 0.307 nan 8.370 nan 0.000 0.498 318 A N 1.385 124.177 122.820 -0.045 0.000 1.903 318 A HA -0.125 4.195 4.320 0.000 0.000 0.219 318 A C 2.421 179.765 177.584 -0.399 0.000 1.191 318 A CA 2.369 54.158 52.037 -0.413 0.000 0.638 318 A CB -1.032 17.802 19.000 -0.276 0.000 0.823 318 A HN 0.423 nan 8.150 nan 0.000 0.451 319 A N 0.012 122.736 122.820 -0.161 0.000 2.084 319 A HA -0.104 4.216 4.320 0.000 0.000 0.221 319 A C 2.402 179.955 177.584 -0.052 0.000 1.161 319 A CA 2.363 54.344 52.037 -0.093 0.000 0.653 319 A CB -0.868 18.108 19.000 -0.039 0.000 0.802 319 A HN 1.140 nan 8.150 nan 0.000 0.457 320 S N -1.459 114.242 115.700 0.002 0.000 2.470 320 S HA -0.051 4.419 4.470 0.000 0.000 0.225 320 S C 1.553 176.271 174.600 0.197 0.000 1.006 320 S CA 0.797 59.061 58.200 0.107 0.000 0.934 320 S CB -0.468 62.837 63.200 0.175 0.000 0.778 320 S HN 1.011 nan 8.310 nan 0.000 0.517 321 W N 0.161 121.479 121.300 0.030 0.000 2.701 321 W HA 0.484 5.143 4.660 -0.000 0.000 0.254 321 W C -0.747 175.793 176.519 0.036 0.000 1.017 321 W CA -0.338 57.021 57.345 0.025 0.000 1.326 321 W CB 0.009 29.481 29.460 0.020 0.000 0.881 321 W HN -0.073 nan 8.180 nan 0.000 0.647 322 V N 4.221 123.846 119.914 -0.481 0.000 2.470 322 V HA 0.209 4.329 4.120 0.000 0.000 0.276 322 V C -0.111 175.927 176.094 -0.093 0.000 1.040 322 V CA 0.631 62.717 62.300 -0.357 0.000 1.008 322 V CB 0.288 31.829 31.823 -0.468 0.000 0.990 322 V HN 0.008 nan 8.190 nan 0.000 0.477 323 K N 4.993 125.360 120.400 -0.055 0.000 2.527 323 K HA 0.502 4.822 4.320 0.000 0.000 0.260 323 K C -2.898 173.621 176.600 -0.135 0.000 0.937 323 K CA -1.772 54.479 56.287 -0.060 0.000 0.826 323 K CB 2.269 34.749 32.500 -0.033 0.000 1.359 323 K HN 0.296 nan 8.250 nan 0.000 0.434 324 P HA 0.082 nan 4.420 nan 0.000 0.268 324 P C -1.143 176.058 177.300 -0.165 0.000 1.208 324 P CA -0.450 62.510 63.100 -0.233 0.000 0.777 324 P CB 0.558 32.125 31.700 -0.223 0.000 0.875 325 V N 2.307 122.130 119.914 -0.151 0.000 2.569 325 V HA 0.335 4.455 4.120 0.000 0.000 0.301 325 V C -0.138 175.985 176.094 0.049 0.000 1.044 325 V CA -0.598 61.663 62.300 -0.064 0.000 0.874 325 V CB 1.763 33.529 31.823 -0.096 0.000 1.002 325 V HN 0.415 nan 8.190 nan 0.000 0.424 326 K N 5.036 125.487 120.400 0.085 0.000 2.235 326 K HA 0.677 4.997 4.320 0.000 0.000 0.266 326 K C -1.371 175.509 176.600 0.467 0.000 0.980 326 K CA -0.488 55.908 56.287 0.181 0.000 0.849 326 K CB 1.369 33.810 32.500 -0.099 0.000 1.098 326 K HN 0.773 nan 8.250 nan 0.000 0.445 327 Y N 2.521 123.003 120.300 0.303 0.000 2.644 327 Y HA 0.632 5.182 4.550 0.000 0.000 0.338 327 Y C -0.826 175.147 175.900 0.123 0.000 1.119 327 Y CA -1.394 56.861 58.100 0.258 0.000 1.060 327 Y CB 1.011 39.531 38.460 0.100 0.000 1.294 327 Y HN 0.458 nan 8.280 nan 0.000 0.472 328 I N -0.562 120.002 120.570 -0.010 0.000 3.294 328 I HA 1.118 5.288 4.170 0.000 0.000 0.311 328 I C -0.362 175.830 176.117 0.125 0.000 1.111 328 I CA -1.376 59.855 61.300 -0.115 0.000 0.976 328 I CB 2.327 40.235 38.000 -0.153 0.000 1.260 328 I HN 1.040 nan 8.210 nan 0.000 0.474 329 G N 0.391 109.308 108.800 0.195 0.000 2.489 329 G HA2 0.431 4.391 3.960 0.000 0.000 0.291 329 G HA3 0.431 4.391 3.960 0.000 0.000 0.291 329 G C -1.733 173.189 174.900 0.037 0.000 1.487 329 G CA -0.655 44.540 45.100 0.158 0.000 0.795 329 G HN 0.513 nan 8.290 nan 0.000 0.513 330 V N 1.193 120.937 119.914 -0.283 0.000 2.352 330 V HA 0.382 4.502 4.120 0.000 0.000 0.253 330 V C 0.335 176.394 176.094 -0.058 0.000 1.083 330 V CA 0.828 62.866 62.300 -0.437 0.000 0.993 330 V CB 0.140 31.655 31.823 -0.513 0.000 1.111 330 V HN 0.830 nan 8.190 nan 0.000 0.490 331 W N 4.036 125.230 121.300 -0.177 0.000 5.450 331 W HA 0.100 4.760 4.660 -0.000 0.000 0.164 331 W C 1.673 178.156 176.519 -0.059 0.000 1.291 331 W CA -0.074 57.195 57.345 -0.126 0.000 1.920 331 W CB -0.370 29.087 29.460 -0.005 0.000 0.571 331 W HN 0.432 nan 8.180 nan 0.000 1.104 332 W N 2.670 123.807 121.300 -0.271 0.000 2.331 332 W HA -0.233 4.427 4.660 -0.000 0.000 0.291 332 W C 1.231 177.464 176.519 -0.476 0.000 1.214 332 W CA 2.232 59.260 57.345 -0.529 0.000 1.228 332 W CB -0.196 29.153 29.460 -0.184 0.000 1.135 332 W HN -0.070 nan 8.180 nan 0.000 0.537 333 D N 0.337 120.575 120.400 -0.270 0.000 2.106 333 D HA -0.246 4.394 4.640 0.000 0.000 0.191 333 D C 2.005 177.957 176.300 -0.578 0.000 0.997 333 D CA 2.364 56.143 54.000 -0.368 0.000 0.834 333 D CB -0.629 39.997 40.800 -0.291 0.000 0.956 333 D HN 0.137 nan 8.370 nan 0.000 0.448 334 M N -0.304 118.811 119.600 -0.810 0.000 2.200 334 M HA -0.028 4.452 4.480 0.000 0.000 0.265 334 M C 1.959 177.688 176.300 -0.951 0.000 1.066 334 M CA 0.567 55.165 55.300 -1.170 0.000 1.127 334 M CB -0.142 31.064 32.600 -2.324 0.000 1.379 334 M HN 0.009 nan 8.290 nan 0.000 0.420 335 I N 0.267 120.311 120.570 -0.878 0.000 2.226 335 I HA -0.246 3.924 4.170 0.000 0.000 0.245 335 I C 2.435 178.208 176.117 -0.573 0.000 1.100 335 I CA 2.155 63.084 61.300 -0.619 0.000 1.374 335 I CB -1.867 35.524 38.000 -1.014 0.000 1.057 335 I HN 0.433 nan 8.210 nan 0.000 0.413 336 T N -2.064 111.981 114.554 -0.848 0.000 3.023 336 T HA 0.186 4.536 4.350 0.000 0.000 0.266 336 T C 1.615 176.079 174.700 -0.393 0.000 1.093 336 T CA 0.949 62.626 62.100 -0.705 0.000 1.129 336 T CB 0.163 68.492 68.868 -0.899 0.000 0.899 336 T HN 0.500 nan 8.240 nan 0.000 0.491 337 G N 1.302 109.876 108.800 -0.375 0.000 2.179 337 G HA2 -0.270 3.690 3.960 0.000 0.000 0.220 337 G HA3 -0.270 3.690 3.960 0.000 0.000 0.220 337 G C 0.705 175.464 174.900 -0.235 0.000 0.990 337 G CA 0.540 45.490 45.100 -0.249 0.000 0.646 337 G HN 0.627 nan 8.290 nan 0.000 0.517 338 K N 0.518 120.750 120.400 -0.281 0.000 2.057 338 K HA 0.206 4.526 4.320 0.000 0.000 0.207 338 K C 1.525 178.002 176.600 -0.206 0.000 1.049 338 K CA 1.711 57.868 56.287 -0.216 0.000 0.931 338 K CB -0.252 32.118 32.500 -0.216 0.000 0.714 338 K HN 0.605 nan 8.250 nan 0.000 0.440 339 G N -0.616 108.016 108.800 -0.279 0.000 3.013 339 G HA2 0.433 4.393 3.960 0.000 0.000 0.278 339 G HA3 0.433 4.393 3.960 0.000 0.000 0.278 339 G C -1.306 173.399 174.900 -0.325 0.000 1.353 339 G CA -0.587 44.352 45.100 -0.269 0.000 1.043 339 G HN 0.295 nan 8.290 nan 0.000 0.523 340 S N -1.560 113.982 115.700 -0.264 0.000 2.599 340 S HA 0.449 4.919 4.470 0.000 0.000 0.294 340 S C 0.108 174.596 174.600 -0.188 0.000 1.094 340 S CA -0.810 57.273 58.200 -0.195 0.000 0.931 340 S CB 1.792 64.987 63.200 -0.009 0.000 1.093 340 S HN 0.666 nan 8.310 nan 0.000 0.488 341 W N 0.830 122.044 121.300 -0.144 0.000 2.523 341 W HA 0.288 4.948 4.660 0.000 0.000 0.278 341 W C 1.299 177.819 176.519 0.001 0.000 1.236 341 W CA 0.388 57.527 57.345 -0.343 0.000 1.306 341 W CB -0.502 28.464 29.460 -0.823 0.000 1.101 341 W HN 0.902 nan 8.180 nan 0.000 0.577 342 A N -0.030 122.995 122.820 0.341 0.000 2.407 342 A HA 0.040 4.360 4.320 0.000 0.000 0.248 342 A C 0.286 177.728 177.584 -0.237 0.000 1.082 342 A CA -0.063 52.095 52.037 0.202 0.000 0.785 342 A CB 0.357 19.513 19.000 0.260 0.000 1.020 342 A HN 0.329 nan 8.150 nan 0.000 0.489 343 Y N 1.580 121.380 120.300 -0.833 0.000 2.347 343 Y HA 0.187 4.737 4.550 -0.000 0.000 0.294 343 Y C 1.216 176.878 175.900 -0.396 0.000 1.117 343 Y CA 1.797 59.226 58.100 -1.118 0.000 1.184 343 Y CB 0.241 37.668 38.460 -1.722 0.000 1.047 343 Y HN 0.658 nan 8.280 nan 0.000 0.546 344 T N -0.841 113.663 114.554 -0.084 0.000 2.906 344 T HA 0.303 4.653 4.350 0.000 0.000 0.295 344 T C -0.647 174.072 174.700 0.032 0.000 1.075 344 T CA -0.630 61.450 62.100 -0.032 0.000 1.005 344 T CB 1.416 70.367 68.868 0.137 0.000 1.136 344 T HN 0.098 nan 8.240 nan 0.000 0.498 345 D N 0.713 121.116 120.400 0.006 0.000 2.469 345 D HA 0.108 4.748 4.640 0.000 0.000 0.213 345 D C 1.421 177.735 176.300 0.024 0.000 1.135 345 D CA 0.102 54.117 54.000 0.025 0.000 0.834 345 D CB 0.555 41.357 40.800 0.004 0.000 1.009 345 D HN 0.845 nan 8.370 nan 0.000 0.507 346 E N 0.387 120.600 120.200 0.021 0.000 2.489 346 E HA 0.056 4.406 4.350 0.000 0.000 0.193 346 E C 0.142 176.750 176.600 0.013 0.000 1.057 346 E CA 0.140 56.548 56.400 0.013 0.000 0.866 346 E CB 0.260 29.964 29.700 0.008 0.000 0.916 346 E HN 0.160 nan 8.360 nan 0.000 0.500 347 L N 1.772 123.009 121.223 0.024 0.000 2.329 347 L HA 0.250 4.590 4.340 0.000 0.000 0.279 347 L C 1.281 178.158 176.870 0.012 0.000 1.014 347 L CA -0.540 54.305 54.840 0.008 0.000 0.814 347 L CB 1.858 43.915 42.059 -0.003 0.000 1.257 347 L HN 0.079 nan 8.230 nan 0.000 0.424 348 T N -2.311 112.241 114.554 -0.003 0.000 2.995 348 T HA 0.008 4.358 4.350 0.000 0.000 0.269 348 T C 0.656 175.353 174.700 -0.007 0.000 1.091 348 T CA 0.669 62.767 62.100 -0.003 0.000 1.128 348 T CB -0.041 68.821 68.868 -0.010 0.000 0.891 348 T HN 0.663 nan 8.240 nan 0.000 0.492 349 S N -0.376 115.314 115.700 -0.017 0.000 2.627 349 S HA 0.573 5.043 4.470 0.000 0.000 0.268 349 S C -1.290 173.280 174.600 -0.051 0.000 1.130 349 S CA -0.536 57.646 58.200 -0.030 0.000 0.819 349 S CB 1.435 64.609 63.200 -0.044 0.000 1.100 349 S HN 1.029 nan 8.310 nan 0.000 0.465 350 V N -1.299 118.573 119.914 -0.071 0.000 3.040 350 V HA 0.862 4.982 4.120 0.000 0.000 0.312 350 V C -1.252 174.762 176.094 -0.133 0.000 1.115 350 V CA -0.920 61.314 62.300 -0.110 0.000 0.998 350 V CB 1.805 33.580 31.823 -0.081 0.000 1.042 350 V HN 1.048 nan 8.190 nan 0.000 0.433 351 K N 3.439 123.755 120.400 -0.141 0.000 2.579 351 K HA 0.560 4.880 4.320 0.000 0.000 0.250 351 K C -1.078 175.443 176.600 -0.131 0.000 0.952 351 K CA -0.628 55.587 56.287 -0.119 0.000 0.857 351 K CB 2.018 34.483 32.500 -0.057 0.000 1.123 351 K HN 0.707 nan 8.250 nan 0.000 0.433 352 L N 1.649 122.732 121.223 -0.233 0.000 2.540 352 L HA -0.024 4.316 4.340 0.000 0.000 0.276 352 L C 1.406 178.274 176.870 -0.002 0.000 1.212 352 L CA 0.963 55.667 54.840 -0.227 0.000 0.893 352 L CB -0.020 41.651 42.059 -0.646 0.000 1.138 352 L HN 1.099 nan 8.230 nan 0.000 0.491 353 G N 2.000 110.807 108.800 0.012 0.000 2.199 353 G HA2 -0.251 3.709 3.960 0.000 0.000 0.254 353 G HA3 -0.251 3.709 3.960 0.000 0.000 0.254 353 G C 0.695 175.609 174.900 0.023 0.000 0.982 353 G CA 0.497 45.631 45.100 0.057 0.000 0.632 353 G HN 0.737 nan 8.290 nan 0.000 0.529 354 E N -0.849 119.343 120.200 -0.014 0.000 2.520 354 E HA 0.120 4.470 4.350 0.000 0.000 0.201 354 E C 0.469 177.023 176.600 -0.077 0.000 0.894 354 E CA 0.395 56.775 56.400 -0.032 0.000 1.161 354 E CB 0.358 30.041 29.700 -0.028 0.000 1.137 354 E HN 0.274 nan 8.360 nan 0.000 0.510 355 T N 2.434 116.905 114.554 -0.139 0.000 2.867 355 T HA 0.007 4.357 4.350 0.000 0.000 0.297 355 T C -0.387 174.162 174.700 -0.253 0.000 0.989 355 T CA 0.365 62.312 62.100 -0.254 0.000 1.159 355 T CB 0.378 68.982 68.868 -0.440 0.000 0.928 355 T HN -0.021 nan 8.240 nan 0.000 0.538 356 D N 2.445 122.732 120.400 -0.189 0.000 2.467 356 D HA 0.153 4.793 4.640 0.000 0.000 0.220 356 D C 0.336 176.588 176.300 -0.081 0.000 1.103 356 D CA -0.534 53.416 54.000 -0.085 0.000 0.886 356 D CB 0.311 41.095 40.800 -0.027 0.000 1.025 356 D HN 0.497 nan 8.370 nan 0.000 0.514 357 Y N 1.391 121.693 120.300 0.004 0.000 2.333 357 Y HA -0.203 4.347 4.550 0.000 0.000 0.290 357 Y C 2.639 178.548 175.900 0.015 0.000 1.144 357 Y CA 1.317 59.415 58.100 -0.003 0.000 1.228 357 Y CB -0.173 38.230 38.460 -0.095 0.000 0.985 357 Y HN 0.426 nan 8.280 nan 0.000 0.542 358 S N -0.347 115.444 115.700 0.151 0.000 2.507 358 S HA -0.119 4.351 4.470 0.000 0.000 0.235 358 S C 1.337 176.013 174.600 0.127 0.000 0.988 358 S CA 0.843 59.120 58.200 0.129 0.000 0.944 358 S CB -0.276 62.981 63.200 0.095 0.000 0.762 358 S HN 0.451 nan 8.310 nan 0.000 0.526 359 K N 1.654 122.117 120.400 0.105 0.000 2.373 359 K HA 0.134 4.454 4.320 0.000 0.000 0.202 359 K C 0.273 176.925 176.600 0.087 0.000 1.025 359 K CA 0.244 56.577 56.287 0.077 0.000 1.115 359 K CB 0.828 33.350 32.500 0.037 0.000 0.858 359 K HN 0.601 nan 8.250 nan 0.000 0.525 360 T N -1.248 113.397 114.554 0.153 0.000 2.943 360 T HA 0.275 4.625 4.350 0.000 0.000 0.284 360 T C -0.286 174.513 174.700 0.165 0.000 1.015 360 T CA -0.897 61.298 62.100 0.158 0.000 1.042 360 T CB 2.079 71.084 68.868 0.228 0.000 1.055 360 T HN -0.089 nan 8.240 nan 0.000 0.500 361 K N 2.204 122.645 120.400 0.069 0.000 2.248 361 K HA 0.372 4.692 4.320 0.000 0.000 0.281 361 K C -2.601 173.922 176.600 -0.128 0.000 1.054 361 K CA -2.125 54.159 56.287 -0.005 0.000 0.903 361 K CB 0.286 32.778 32.500 -0.014 0.000 1.077 361 K HN 0.331 nan 8.250 nan 0.000 0.474 362 P HA -0.021 nan 4.420 nan 0.000 0.266 362 P C -0.542 176.581 177.300 -0.294 0.000 1.195 362 P CA -0.020 62.758 63.100 -0.537 0.000 0.768 362 P CB 0.523 31.949 31.700 -0.456 0.000 0.838 363 N N 1.996 120.521 118.700 -0.291 0.000 2.467 363 N HA 0.021 4.761 4.740 0.000 0.000 0.184 363 N C 1.249 176.686 175.510 -0.122 0.000 1.106 363 N CA 0.768 53.724 53.050 -0.156 0.000 0.892 363 N CB -0.714 37.703 38.487 -0.118 0.000 0.969 363 N HN 0.582 nan 8.380 nan 0.000 0.454 364 G N -0.057 108.659 108.800 -0.140 0.000 2.168 364 G HA2 -0.355 3.605 3.960 0.000 0.000 0.263 364 G HA3 -0.355 3.605 3.960 0.000 0.000 0.263 364 G C 0.611 175.465 174.900 -0.076 0.000 0.977 364 G CA 0.734 45.779 45.100 -0.093 0.000 0.659 364 G HN 0.532 nan 8.290 nan 0.000 0.533 365 K N -0.480 119.874 120.400 -0.078 0.000 2.438 365 K HA 0.134 4.455 4.320 0.000 0.000 0.206 365 K C 0.505 177.067 176.600 -0.063 0.000 1.081 365 K CA -0.511 55.730 56.287 -0.077 0.000 1.053 365 K CB 0.576 33.027 32.500 -0.081 0.000 0.908 365 K HN 0.556 nan 8.250 nan 0.000 0.556 366 H N 1.177 120.148 119.070 -0.165 0.000 3.160 366 H HA 0.095 4.651 4.556 0.000 0.000 0.257 366 H C 0.160 175.419 175.328 -0.114 0.000 1.140 366 H CA -0.052 55.901 56.048 -0.158 0.000 1.492 366 H CB 0.726 30.384 29.762 -0.172 0.000 1.529 366 H HN 0.073 nan 8.280 nan 0.000 0.490 367 S N 3.533 119.018 115.700 -0.357 0.000 2.423 367 S HA -0.085 4.385 4.470 0.000 0.000 0.231 367 S C 1.511 175.884 174.600 -0.379 0.000 1.014 367 S CA 0.716 58.718 58.200 -0.329 0.000 0.965 367 S CB 0.158 63.166 63.200 -0.321 0.000 0.785 367 S HN 0.712 nan 8.310 nan 0.000 0.495 368 A N 2.899 125.335 122.820 -0.640 0.000 3.077 368 A HA 0.322 4.642 4.320 0.000 0.000 0.255 368 A C 0.214 177.772 177.584 -0.044 0.000 1.728 368 A CA -0.699 51.149 52.037 -0.315 0.000 1.383 368 A CB -1.085 17.771 19.000 -0.240 0.000 1.097 368 A HN 0.620 nan 8.150 nan 0.000 0.634 369 N N -1.864 116.837 118.700 0.002 0.000 2.319 369 N HA 0.401 5.141 4.740 0.000 0.000 0.305 369 N C 0.666 176.226 175.510 0.083 0.000 1.103 369 N CA -0.184 52.948 53.050 0.137 0.000 0.815 369 N CB 0.743 39.288 38.487 0.096 0.000 1.288 369 N HN -0.059 nan 8.380 nan 0.000 0.493 370 T N 0.665 115.243 114.554 0.040 0.000 2.620 370 T HA -0.331 4.019 4.350 0.000 0.000 0.267 370 T C 1.834 176.494 174.700 -0.066 0.000 1.044 370 T CA 2.437 64.489 62.100 -0.080 0.000 1.161 370 T CB -0.776 68.035 68.868 -0.095 0.000 0.862 370 T HN 0.752 nan 8.240 nan 0.000 0.438 371 A N 1.654 124.453 122.820 -0.036 0.000 1.883 371 A HA -0.194 4.126 4.320 0.000 0.000 0.217 371 A C 2.221 179.806 177.584 0.002 0.000 1.186 371 A CA 2.213 54.227 52.037 -0.038 0.000 0.624 371 A CB -0.907 18.082 19.000 -0.019 0.000 0.822 371 A HN 0.526 nan 8.150 nan 0.000 0.444 372 N N -0.215 118.502 118.700 0.030 0.000 2.142 372 N HA -0.109 4.631 4.740 0.000 0.000 0.186 372 N C 1.450 177.051 175.510 0.151 0.000 1.023 372 N CA 1.639 54.743 53.050 0.089 0.000 0.852 372 N CB -0.316 38.201 38.487 0.049 0.000 0.998 372 N HN 0.148 nan 8.380 nan 0.000 0.424 373 V N 0.873 120.825 119.914 0.062 0.000 2.407 373 V HA -0.201 3.919 4.120 0.000 0.000 0.248 373 V C 2.093 178.275 176.094 0.146 0.000 1.055 373 V CA 1.579 63.923 62.300 0.072 0.000 1.049 373 V CB -0.436 31.421 31.823 0.057 0.000 0.662 373 V HN 0.363 nan 8.190 nan 0.000 0.455 374 K N -0.288 120.149 120.400 0.063 0.000 2.147 374 K HA -0.116 4.204 4.320 0.000 0.000 0.205 374 K C 2.347 179.057 176.600 0.183 0.000 1.049 374 K CA 1.107 57.426 56.287 0.054 0.000 0.936 374 K CB -0.211 32.115 32.500 -0.290 0.000 0.722 374 K HN 0.407 nan 8.250 nan 0.000 0.446 375 R N -0.390 120.210 120.500 0.166 0.000 2.115 375 R HA -0.105 4.235 4.340 0.000 0.000 0.230 375 R C 1.933 178.356 176.300 0.205 0.000 1.111 375 R CA 1.258 57.456 56.100 0.163 0.000 0.976 375 R CB -0.201 30.161 30.300 0.104 0.000 0.870 375 R HN 0.237 nan 8.270 nan 0.000 0.445 376 Y N 0.729 121.088 120.300 0.099 0.000 2.263 376 Y HA -0.079 4.472 4.550 0.000 0.000 0.292 376 Y C 2.138 178.145 175.900 0.178 0.000 1.130 376 Y CA 0.887 59.057 58.100 0.117 0.000 1.179 376 Y CB -0.176 38.329 38.460 0.075 0.000 0.998 376 Y HN -0.039 nan 8.280 nan 0.000 0.532 377 I N -0.278 120.494 120.570 0.336 0.000 2.226 377 I HA -0.317 3.853 4.170 0.000 0.000 0.245 377 I C 1.843 178.089 176.117 0.215 0.000 1.100 377 I CA 1.402 62.859 61.300 0.262 0.000 1.374 377 I CB -0.319 37.861 38.000 0.301 0.000 1.057 377 I HN 0.190 nan 8.210 nan 0.000 0.413 378 D N 0.611 121.162 120.400 0.252 0.000 2.104 378 D HA -0.228 4.412 4.640 0.000 0.000 0.194 378 D C 1.956 178.341 176.300 0.142 0.000 0.994 378 D CA 1.431 55.538 54.000 0.178 0.000 0.830 378 D CB -0.382 40.535 40.800 0.196 0.000 0.959 378 D HN 0.247 nan 8.370 nan 0.000 0.452 379 F N 1.645 121.624 119.950 0.048 0.000 2.102 379 F HA -0.133 4.394 4.527 -0.000 0.000 0.298 379 F C 2.287 178.168 175.800 0.135 0.000 1.105 379 F CA 1.537 59.579 58.000 0.070 0.000 1.239 379 F CB -0.322 38.679 39.000 0.001 0.000 0.991 379 F HN -0.071 nan 8.300 nan 0.000 0.474 380 A N 0.296 123.255 122.820 0.232 0.000 1.908 380 A HA -0.133 4.187 4.320 0.000 0.000 0.218 380 A C 2.389 180.074 177.584 0.168 0.000 1.181 380 A CA 2.041 54.201 52.037 0.204 0.000 0.627 380 A CB -1.590 17.535 19.000 0.207 0.000 0.818 380 A HN 0.500 nan 8.150 nan 0.000 0.445 381 A N -0.365 122.492 122.820 0.062 0.000 1.898 381 A HA 0.228 4.548 4.320 0.000 0.000 0.216 381 A C 2.480 180.005 177.584 -0.098 0.000 1.181 381 A CA 1.889 53.919 52.037 -0.013 0.000 0.620 381 A CB -0.952 18.020 19.000 -0.047 0.000 0.819 381 A HN 1.081 nan 8.150 nan 0.000 0.442 382 A N -1.375 121.320 122.820 -0.208 0.000 1.972 382 A HA -0.141 4.179 4.320 0.000 0.000 0.219 382 A C 1.710 178.964 177.584 -0.549 0.000 1.169 382 A CA 1.434 53.221 52.037 -0.417 0.000 0.635 382 A CB -0.616 18.027 19.000 -0.595 0.000 0.810 382 A HN 0.640 nan 8.150 nan 0.000 0.446 383 H N -1.640 117.366 119.070 -0.105 0.000 2.505 383 H HA 0.320 4.876 4.556 -0.000 0.000 0.286 383 H C 1.377 176.638 175.328 -0.111 0.000 1.072 383 H CA 0.314 56.317 56.048 -0.075 0.000 1.141 383 H CB -0.030 29.716 29.762 -0.026 0.000 1.550 383 H HN 0.596 nan 8.280 nan 0.000 0.547 384 G N 1.050 109.836 108.800 -0.024 0.000 2.147 384 G HA2 -0.278 3.682 3.960 0.000 0.000 0.244 384 G HA3 -0.278 3.682 3.960 0.000 0.000 0.244 384 G C -0.091 174.693 174.900 -0.193 0.000 1.005 384 G CA -0.191 44.832 45.100 -0.129 0.000 0.713 384 G HN 0.234 nan 8.290 nan 0.000 0.515 385 F N 0.285 120.202 119.950 -0.056 0.000 2.380 385 F HA 0.395 4.922 4.527 -0.000 0.000 0.325 385 F C 1.579 177.372 175.800 -0.012 0.000 1.136 385 F CA 0.008 57.994 58.000 -0.023 0.000 1.171 385 F CB 0.669 39.700 39.000 0.051 0.000 1.230 385 F HN -0.023 nan 8.300 nan 0.000 0.554 386 D N 0.543 121.048 120.400 0.175 0.000 2.277 386 D HA 0.216 4.856 4.640 0.000 0.000 0.209 386 D C 0.303 176.672 176.300 0.114 0.000 0.970 386 D CA 0.753 54.807 54.000 0.090 0.000 0.874 386 D CB 0.380 41.199 40.800 0.031 0.000 0.982 386 D HN 0.406 nan 8.370 nan 0.000 0.504 387 A N -0.047 122.890 122.820 0.194 0.000 2.602 387 A HA 0.597 4.917 4.320 0.000 0.000 0.290 387 A C -1.520 176.198 177.584 0.224 0.000 1.114 387 A CA -0.521 51.607 52.037 0.153 0.000 0.683 387 A CB 1.867 20.907 19.000 0.066 0.000 1.281 387 A HN -0.108 nan 8.150 nan 0.000 0.416 388 V N 1.067 121.084 119.914 0.171 0.000 2.525 388 V HA 0.480 4.600 4.120 0.000 0.000 0.299 388 V C -0.786 175.406 176.094 0.163 0.000 1.034 388 V CA -0.386 62.034 62.300 0.200 0.000 0.863 388 V CB 1.326 33.259 31.823 0.185 0.000 0.999 388 V HN 0.923 nan 8.190 nan 0.000 0.423 389 L N 6.697 128.043 121.223 0.204 0.000 2.334 389 L HA 0.801 5.141 4.340 0.000 0.000 0.277 389 L C -0.613 176.308 176.870 0.086 0.000 1.075 389 L CA 0.312 55.230 54.840 0.130 0.000 0.804 389 L CB 1.652 43.806 42.059 0.158 0.000 1.174 389 L HN 0.437 nan 8.230 nan 0.000 0.438 390 V N 4.499 124.465 119.914 0.087 0.000 2.569 390 V HA 0.468 4.588 4.120 0.000 0.000 0.301 390 V C -0.583 175.576 176.094 0.109 0.000 1.044 390 V CA -0.680 61.662 62.300 0.070 0.000 0.874 390 V CB 1.530 33.457 31.823 0.175 0.000 1.002 390 V HN 0.829 nan 8.190 nan 0.000 0.424 391 E N 2.531 122.735 120.200 0.006 0.000 2.202 391 E HA 0.628 4.978 4.350 0.000 0.000 0.272 391 E C 0.796 177.336 176.600 -0.101 0.000 0.951 391 E CA -0.152 56.261 56.400 0.022 0.000 0.813 391 E CB 1.974 31.633 29.700 -0.068 0.000 1.151 391 E HN 1.047 nan 8.360 nan 0.000 0.398 392 G N 2.267 110.893 108.800 -0.290 0.000 2.132 392 G HA2 -0.199 3.761 3.960 0.000 0.000 0.228 392 G HA3 -0.199 3.761 3.960 0.000 0.000 0.228 392 G C 0.427 175.367 174.900 0.067 0.000 1.000 392 G CA 0.356 45.146 45.100 -0.517 0.000 0.693 392 G HN 0.755 nan 8.290 nan 0.000 0.515 393 W N 1.214 122.426 121.300 -0.147 0.000 2.658 393 W HA 0.208 4.868 4.660 0.000 0.000 0.263 393 W C 0.343 176.670 176.519 -0.320 0.000 1.274 393 W CA 0.764 57.829 57.345 -0.467 0.000 1.343 393 W CB -0.589 28.099 29.460 -1.287 0.000 1.106 393 W HN 0.446 nan 8.180 nan 0.000 0.615 394 N N 1.660 119.558 118.700 -1.337 0.000 2.430 394 N HA 0.122 4.862 4.740 0.000 0.000 0.298 394 N C -0.600 174.088 175.510 -1.370 0.000 1.130 394 N CA -0.588 51.538 53.050 -1.541 0.000 0.894 394 N CB 1.163 38.355 38.487 -2.159 0.000 1.209 394 N HN 0.059 nan 8.380 nan 0.000 0.503 395 E N -0.642 118.778 120.200 -1.300 0.000 2.442 395 E HA 0.272 4.622 4.350 0.000 0.000 0.262 395 E C 0.619 176.895 176.600 -0.540 0.000 1.004 395 E CA 0.915 56.635 56.400 -1.133 0.000 0.928 395 E CB 0.173 29.546 29.700 -0.545 0.000 0.937 395 E HN 0.917 nan 8.360 nan 0.000 0.446 396 G N 2.101 110.765 108.800 -0.226 0.000 2.253 396 G HA2 -0.240 3.720 3.960 0.000 0.000 0.209 396 G HA3 -0.240 3.720 3.960 0.000 0.000 0.209 396 G C 0.505 175.307 174.900 -0.164 0.000 0.997 396 G CA -0.094 44.843 45.100 -0.273 0.000 0.640 396 G HN 0.681 nan 8.290 nan 0.000 0.496 397 W N 1.472 122.908 121.300 0.227 0.000 2.387 397 W HA 0.224 4.884 4.660 0.000 0.000 0.272 397 W C 2.199 178.922 176.519 0.341 0.000 1.224 397 W CA 1.429 58.971 57.345 0.327 0.000 1.210 397 W CB 0.013 29.669 29.460 0.327 0.000 1.125 397 W HN 0.375 nan 8.180 nan 0.000 0.572 398 E N -0.278 120.191 120.200 0.449 0.000 2.171 398 E HA -0.185 4.165 4.350 0.000 0.000 0.197 398 E C 0.893 177.635 176.600 0.237 0.000 0.997 398 E CA 1.490 58.092 56.400 0.336 0.000 0.810 398 E CB -0.356 29.504 29.700 0.266 0.000 0.738 398 E HN 0.161 nan 8.360 nan 0.000 0.467 399 D N -1.142 119.322 120.400 0.106 0.000 2.501 399 D HA -0.007 4.633 4.640 0.000 0.000 0.226 399 D C 0.931 177.180 176.300 -0.085 0.000 1.198 399 D CA -0.213 53.775 54.000 -0.019 0.000 0.830 399 D CB -0.429 40.292 40.800 -0.130 0.000 1.014 399 D HN 0.368 nan 8.370 nan 0.000 0.496 400 W N 0.244 121.440 121.300 -0.174 0.000 2.465 400 W HA 0.020 4.680 4.660 0.000 0.000 0.268 400 W C -0.547 175.943 176.519 -0.049 0.000 1.242 400 W CA -0.113 57.089 57.345 -0.240 0.000 1.248 400 W CB -0.615 28.726 29.460 -0.197 0.000 1.118 400 W HN -0.106 nan 8.180 nan 0.000 0.587 401 F N 1.866 121.272 119.950 -0.908 0.000 2.388 401 F HA 0.528 5.055 4.527 0.000 0.000 0.358 401 F C 1.224 176.728 175.800 -0.493 0.000 1.122 401 F CA 0.544 57.932 58.000 -1.020 0.000 1.056 401 F CB 1.058 39.248 39.000 -1.351 0.000 1.155 401 F HN 0.158 nan 8.300 nan 0.000 0.461 402 G N 4.035 112.303 108.800 -0.886 0.000 2.203 402 G HA2 -0.370 3.590 3.960 0.000 0.000 0.263 402 G HA3 -0.370 3.590 3.960 0.000 0.000 0.263 402 G C 0.694 175.422 174.900 -0.286 0.000 1.012 402 G CA 0.545 45.296 45.100 -0.580 0.000 0.749 402 G HN 0.651 nan 8.290 nan 0.000 0.512 403 N N 0.138 118.692 118.700 -0.242 0.000 2.280 403 N HA 0.137 4.877 4.740 0.000 0.000 0.192 403 N C 1.183 176.606 175.510 -0.145 0.000 1.109 403 N CA 0.942 53.895 53.050 -0.162 0.000 0.855 403 N CB 0.480 38.880 38.487 -0.144 0.000 0.974 403 N HN 0.606 nan 8.380 nan 0.000 0.482 404 S N 0.672 116.275 115.700 -0.162 0.000 3.631 404 S HA -0.226 4.244 4.470 0.000 0.000 0.366 404 S C 0.152 174.686 174.600 -0.111 0.000 0.993 404 S CA 0.442 58.567 58.200 -0.124 0.000 1.167 404 S CB -1.334 61.806 63.200 -0.100 0.000 0.909 404 S HN 0.472 nan 8.310 nan 0.000 0.478 405 K N 0.437 120.755 120.400 -0.137 0.000 2.258 405 K HA 0.228 4.548 4.320 0.000 0.000 0.284 405 K C 1.018 177.554 176.600 -0.107 0.000 1.051 405 K CA -0.276 55.930 56.287 -0.134 0.000 0.923 405 K CB 0.692 33.073 32.500 -0.197 0.000 1.046 405 K HN 0.292 nan 8.250 nan 0.000 0.474 406 D N 2.675 123.043 120.400 -0.054 0.000 2.087 406 D HA -0.203 4.437 4.640 0.000 0.000 0.201 406 D C -0.066 176.269 176.300 0.058 0.000 0.980 406 D CA 1.240 55.241 54.000 0.002 0.000 0.849 406 D CB -0.070 40.740 40.800 0.017 0.000 1.001 406 D HN 0.546 nan 8.370 nan 0.000 0.452 407 Y N 1.634 121.874 120.300 -0.101 0.000 2.735 407 Y HA 0.294 4.844 4.550 0.000 0.000 0.354 407 Y C 0.893 176.642 175.900 -0.250 0.000 1.288 407 Y CA -0.560 57.471 58.100 -0.115 0.000 1.836 407 Y CB -0.050 38.369 38.460 -0.069 0.000 1.920 407 Y HN -0.128 nan 8.280 nan 0.000 0.438 408 V N 4.153 123.843 119.914 -0.374 0.000 2.725 408 V HA 0.142 4.262 4.120 0.000 0.000 0.247 408 V C -0.331 175.013 176.094 -1.249 0.000 1.058 408 V CA 1.221 63.053 62.300 -0.779 0.000 1.080 408 V CB -0.107 31.267 31.823 -0.748 0.000 0.713 408 V HN 0.295 nan 8.190 nan 0.000 0.465 409 F N 0.198 119.676 119.950 -0.786 0.000 2.645 409 F HA 0.465 4.992 4.527 0.000 0.000 0.310 409 F C 0.235 175.307 175.800 -1.213 0.000 1.102 409 F CA -0.753 56.563 58.000 -1.141 0.000 0.952 409 F CB 1.561 39.579 39.000 -1.637 0.000 1.326 409 F HN 0.069 nan 8.300 nan 0.000 0.456 410 D N -0.878 119.001 120.400 -0.870 0.000 2.474 410 D HA 0.111 4.751 4.640 0.000 0.000 0.213 410 D C 0.559 176.651 176.300 -0.346 0.000 1.120 410 D CA -0.111 53.486 54.000 -0.671 0.000 0.836 410 D CB -0.268 40.394 40.800 -0.229 0.000 1.019 410 D HN 0.382 nan 8.370 nan 0.000 0.507 411 F N -0.315 119.392 119.950 -0.404 0.000 2.973 411 F HA -0.293 4.234 4.527 -0.000 0.000 0.299 411 F C 1.265 176.950 175.800 -0.192 0.000 0.737 411 F CA 1.000 58.792 58.000 -0.347 0.000 1.151 411 F CB -1.904 36.839 39.000 -0.428 0.000 1.440 411 F HN 0.215 nan 8.300 nan 0.000 0.367 412 V N -6.398 113.371 119.914 -0.241 0.000 3.359 412 V HA 0.302 4.422 4.120 0.000 0.000 0.270 412 V C 0.668 176.500 176.094 -0.437 0.000 1.583 412 V CA 0.646 62.618 62.300 -0.547 0.000 1.019 412 V CB 0.919 32.468 31.823 -0.457 0.000 0.831 412 V HN 0.081 nan 8.190 nan 0.000 0.426 413 T N 5.844 120.211 114.554 -0.311 0.000 2.727 413 T HA 0.472 4.822 4.350 0.000 0.000 0.298 413 T C -2.502 172.052 174.700 -0.243 0.000 0.942 413 T CA -0.755 61.233 62.100 -0.187 0.000 0.997 413 T CB 1.420 70.184 68.868 -0.172 0.000 0.917 413 T HN 0.453 nan 8.240 nan 0.000 0.487 414 P HA 0.207 nan 4.420 nan 0.000 0.276 414 P C -0.586 176.717 177.300 0.005 0.000 1.244 414 P CA -0.612 62.600 63.100 0.188 0.000 0.801 414 P CB 0.756 32.850 31.700 0.657 0.000 1.006 415 Y N 1.602 121.889 120.300 -0.023 0.000 2.330 415 Y HA 0.075 4.625 4.550 -0.000 0.000 0.341 415 Y C -0.787 175.049 175.900 -0.107 0.000 1.278 415 Y CA -1.340 56.601 58.100 -0.266 0.000 1.453 415 Y CB -1.126 37.167 38.460 -0.278 0.000 1.342 415 Y HN 0.377 nan 8.280 nan 0.000 0.590 416 P HA -0.155 nan 4.420 nan 0.000 0.219 416 P C 0.321 177.731 177.300 0.183 0.000 1.146 416 P CA 1.956 65.058 63.100 0.003 0.000 0.808 416 P CB 0.160 31.791 31.700 -0.116 0.000 0.779 417 D N -2.246 118.341 120.400 0.312 0.000 2.342 417 D HA 0.001 4.641 4.640 0.000 0.000 0.221 417 D C -0.420 176.118 176.300 0.396 0.000 1.101 417 D CA -0.440 53.784 54.000 0.373 0.000 0.837 417 D CB -0.863 40.221 40.800 0.475 0.000 0.938 417 D HN 0.127 nan 8.370 nan 0.000 0.508 418 F N 1.581 121.693 119.950 0.270 0.000 2.430 418 F HA 0.253 4.780 4.527 0.000 0.000 0.362 418 F C -0.618 175.325 175.800 0.238 0.000 1.103 418 F CA -1.240 56.925 58.000 0.275 0.000 1.045 418 F CB 1.215 40.455 39.000 0.401 0.000 1.276 418 F HN -0.297 nan 8.300 nan 0.000 0.444 419 D N 5.850 126.163 120.400 -0.144 0.000 2.453 419 D HA 0.116 4.756 4.640 0.000 0.000 0.223 419 D C 1.234 177.430 176.300 -0.173 0.000 1.183 419 D CA 0.181 54.142 54.000 -0.064 0.000 0.933 419 D CB 1.158 41.925 40.800 -0.056 0.000 1.038 419 D HN 0.416 nan 8.370 nan 0.000 0.513 420 V N 4.748 124.700 119.914 0.065 0.000 2.282 420 V HA -0.298 3.822 4.120 0.000 0.000 0.249 420 V C 2.393 178.534 176.094 0.078 0.000 1.057 420 V CA 1.765 64.157 62.300 0.153 0.000 1.032 420 V CB -0.321 31.758 31.823 0.427 0.000 0.645 420 V HN 0.520 nan 8.190 nan 0.000 0.447 421 K N -0.198 120.257 120.400 0.092 0.000 2.057 421 K HA -0.213 4.107 4.320 0.000 0.000 0.206 421 K C 2.230 178.847 176.600 0.029 0.000 1.050 421 K CA 1.564 57.897 56.287 0.077 0.000 0.935 421 K CB -0.202 32.339 32.500 0.069 0.000 0.715 421 K HN 0.440 nan 8.250 nan 0.000 0.439 422 E N 1.666 121.863 120.200 -0.004 0.000 2.077 422 E HA -0.139 4.211 4.350 0.000 0.000 0.193 422 E C 1.733 178.323 176.600 -0.016 0.000 0.989 422 E CA 1.252 57.639 56.400 -0.023 0.000 0.800 422 E CB -0.196 29.473 29.700 -0.052 0.000 0.746 422 E HN 0.248 nan 8.360 nan 0.000 0.452 423 I N 0.084 120.608 120.570 -0.075 0.000 2.286 423 I HA -0.259 3.911 4.170 0.000 0.000 0.248 423 I C 2.578 178.719 176.117 0.039 0.000 1.115 423 I CA 1.563 62.825 61.300 -0.064 0.000 1.392 423 I CB -0.462 37.387 38.000 -0.251 0.000 1.065 423 I HN 0.342 nan 8.210 nan 0.000 0.418 424 H N 1.443 120.447 119.070 -0.110 0.000 2.293 424 H HA -0.132 4.424 4.556 0.000 0.000 0.300 424 H C 2.532 177.815 175.328 -0.074 0.000 1.082 424 H CA 1.350 57.312 56.048 -0.143 0.000 1.308 424 H CB 0.183 29.849 29.762 -0.160 0.000 1.375 424 H HN 0.165 nan 8.280 nan 0.000 0.495 425 R N -0.536 119.906 120.500 -0.096 0.000 2.083 425 R HA -0.209 4.131 4.340 0.000 0.000 0.237 425 R C 2.324 178.614 176.300 -0.016 0.000 1.137 425 R CA 1.792 57.805 56.100 -0.146 0.000 0.951 425 R CB -0.591 29.660 30.300 -0.082 0.000 0.851 425 R HN 0.411 nan 8.270 nan 0.000 0.434 426 Y N 1.085 121.343 120.300 -0.070 0.000 2.133 426 Y HA -0.194 4.356 4.550 -0.000 0.000 0.287 426 Y C 2.375 178.258 175.900 -0.028 0.000 1.134 426 Y CA 1.297 59.371 58.100 -0.043 0.000 1.133 426 Y CB -0.505 37.935 38.460 -0.033 0.000 0.987 426 Y HN 0.069 nan 8.280 nan 0.000 0.502 427 A N 0.340 123.200 122.820 0.067 0.000 1.883 427 A HA -0.200 4.120 4.320 0.000 0.000 0.217 427 A C 2.442 179.988 177.584 -0.063 0.000 1.186 427 A CA 2.291 54.325 52.037 -0.006 0.000 0.624 427 A CB -1.582 17.435 19.000 0.029 0.000 0.822 427 A HN 0.580 nan 8.150 nan 0.000 0.444 428 A N -0.440 122.360 122.820 -0.034 0.000 1.908 428 A HA -0.202 4.118 4.320 0.000 0.000 0.218 428 A C 2.253 179.777 177.584 -0.100 0.000 1.181 428 A CA 1.946 53.952 52.037 -0.052 0.000 0.627 428 A CB -0.507 18.452 19.000 -0.070 0.000 0.818 428 A HN 0.575 nan 8.150 nan 0.000 0.445 429 R N -0.552 119.864 120.500 -0.141 0.000 2.120 429 R HA -0.093 4.247 4.340 0.000 0.000 0.234 429 R C 1.175 177.361 176.300 -0.190 0.000 1.123 429 R CA 1.394 57.399 56.100 -0.158 0.000 0.975 429 R CB -0.038 30.159 30.300 -0.173 0.000 0.866 429 R HN 0.196 nan 8.270 nan 0.000 0.446 430 K N -0.487 119.761 120.400 -0.253 0.000 2.444 430 K HA 0.103 4.423 4.320 0.000 0.000 0.193 430 K C 0.673 177.198 176.600 -0.126 0.000 1.024 430 K CA 0.808 56.957 56.287 -0.229 0.000 1.077 430 K CB 0.570 32.877 32.500 -0.320 0.000 0.833 430 K HN 0.464 nan 8.250 nan 0.000 0.517 431 G N 1.750 110.492 108.800 -0.097 0.000 2.176 431 G HA2 -0.211 3.749 3.960 0.000 0.000 0.252 431 G HA3 -0.211 3.749 3.960 0.000 0.000 0.252 431 G C 0.012 174.891 174.900 -0.035 0.000 1.024 431 G CA -0.108 44.956 45.100 -0.060 0.000 0.755 431 G HN 0.173 nan 8.290 nan 0.000 0.507 432 I N -0.322 120.230 120.570 -0.031 0.000 2.603 432 I HA 0.526 4.696 4.170 0.000 0.000 0.300 432 I C 0.076 176.189 176.117 -0.007 0.000 1.017 432 I CA -1.212 60.091 61.300 0.004 0.000 1.098 432 I CB 1.845 39.863 38.000 0.031 0.000 1.279 432 I HN -0.137 nan 8.210 nan 0.000 0.437 433 K N 5.166 125.564 120.400 -0.003 0.000 2.182 433 K HA 0.522 4.842 4.320 0.000 0.000 0.262 433 K C -0.558 176.012 176.600 -0.050 0.000 0.957 433 K CA -0.904 55.356 56.287 -0.046 0.000 0.842 433 K CB 1.903 34.381 32.500 -0.036 0.000 1.099 433 K HN 0.385 nan 8.250 nan 0.000 0.438 434 M N 2.705 122.212 119.600 -0.154 0.000 2.216 434 M HA 0.337 4.817 4.480 0.000 0.000 0.356 434 M C 0.170 176.483 176.300 0.022 0.000 1.205 434 M CA -0.409 54.827 55.300 -0.106 0.000 1.122 434 M CB 0.736 33.152 32.600 -0.306 0.000 1.571 434 M HN 0.502 nan 8.290 nan 0.000 0.464 435 M N 4.036 123.690 119.600 0.090 0.000 2.113 435 M HA 0.318 4.798 4.480 0.000 0.000 0.352 435 M C -0.453 175.930 176.300 0.140 0.000 1.170 435 M CA -0.707 54.635 55.300 0.069 0.000 1.053 435 M CB 0.979 33.522 32.600 -0.095 0.000 1.601 435 M HN 0.722 nan 8.290 nan 0.000 0.459 436 M N 4.668 124.327 119.600 0.099 0.000 2.240 436 M HA 0.163 4.643 4.480 0.000 0.000 0.333 436 M C -1.255 175.041 176.300 -0.005 0.000 1.110 436 M CA 0.658 55.864 55.300 -0.157 0.000 1.173 436 M CB 0.311 32.648 32.600 -0.439 0.000 1.458 436 M HN 0.624 nan 8.290 nan 0.000 0.458 437 H N 2.890 121.980 119.070 0.034 0.000 2.589 437 H HA 0.418 4.974 4.556 0.000 0.000 0.335 437 H C -1.424 174.127 175.328 0.373 0.000 1.019 437 H CA -0.330 55.825 56.048 0.178 0.000 1.213 437 H CB 0.466 30.391 29.762 0.271 0.000 1.472 437 H HN 0.845 nan 8.280 nan 0.000 0.508 438 H N 3.895 122.852 119.070 -0.188 0.000 2.317 438 H HA 0.108 4.664 4.556 0.000 0.000 0.231 438 H C -0.437 174.569 175.328 -0.537 0.000 1.442 438 H CA -0.686 55.217 56.048 -0.241 0.000 1.336 438 H CB 0.646 30.293 29.762 -0.190 0.000 1.533 438 H HN 0.526 nan 8.280 nan 0.000 0.522 439 E N 1.544 121.305 120.200 -0.731 0.000 2.344 439 E HA -0.019 4.331 4.350 0.000 0.000 0.270 439 E C 1.096 177.415 176.600 -0.468 0.000 1.021 439 E CA 0.033 56.095 56.400 -0.563 0.000 0.887 439 E CB 0.946 30.340 29.700 -0.509 0.000 0.997 439 E HN 0.564 nan 8.360 nan 0.000 0.429 440 T N 0.343 114.703 114.554 -0.324 0.000 3.022 440 T HA 0.084 4.434 4.350 0.000 0.000 0.250 440 T C 0.561 175.298 174.700 0.061 0.000 1.060 440 T CA 0.229 62.256 62.100 -0.122 0.000 1.013 440 T CB -0.207 68.424 68.868 -0.394 0.000 0.982 440 T HN 0.380 nan 8.240 nan 0.000 0.508 441 S N 0.833 116.586 115.700 0.088 0.000 3.587 441 S HA -0.152 4.318 4.470 0.000 0.000 0.337 441 S C 1.160 175.790 174.600 0.049 0.000 1.119 441 S CA 0.860 59.121 58.200 0.103 0.000 0.976 441 S CB -2.123 61.099 63.200 0.035 0.000 0.922 441 S HN 2.033 nan 8.310 nan 0.000 0.503 442 A N -1.026 121.862 122.820 0.114 0.000 2.861 442 A HA -0.230 4.090 4.320 0.000 0.000 0.261 442 A C 0.811 178.443 177.584 0.081 0.000 1.351 442 A CA 1.350 53.480 52.037 0.156 0.000 0.904 442 A CB -2.004 17.061 19.000 0.108 0.000 1.076 442 A HN 1.601 nan 8.150 nan 0.000 0.729 443 S N -0.205 115.536 115.700 0.069 0.000 2.592 443 S HA 0.461 4.931 4.470 0.000 0.000 0.305 443 S C 1.295 175.966 174.600 0.117 0.000 1.118 443 S CA 0.027 58.264 58.200 0.063 0.000 1.075 443 S CB 0.234 63.460 63.200 0.043 0.000 1.107 443 S HN 0.812 nan 8.310 nan 0.000 0.503 444 V N 6.036 125.995 119.914 0.075 0.000 2.488 444 V HA -0.040 4.080 4.120 0.000 0.000 0.246 444 V C 2.597 178.725 176.094 0.056 0.000 1.046 444 V CA 1.556 63.867 62.300 0.019 0.000 1.053 444 V CB -0.645 31.087 31.823 -0.151 0.000 0.679 444 V HN 0.764 nan 8.190 nan 0.000 0.458 445 R N 0.931 121.477 120.500 0.076 0.000 2.075 445 R HA -0.214 4.126 4.340 0.000 0.000 0.232 445 R C 2.195 178.576 176.300 0.135 0.000 1.126 445 R CA 2.095 58.246 56.100 0.084 0.000 0.963 445 R CB -0.383 29.957 30.300 0.067 0.000 0.858 445 R HN 0.588 nan 8.270 nan 0.000 0.435 446 N N -0.314 118.499 118.700 0.188 0.000 2.104 446 N HA -0.252 4.488 4.740 0.000 0.000 0.190 446 N C 1.640 177.436 175.510 0.476 0.000 1.024 446 N CA 1.522 54.765 53.050 0.322 0.000 0.853 446 N CB -0.362 38.304 38.487 0.298 0.000 1.008 446 N HN 0.287 nan 8.380 nan 0.000 0.424 447 Y N 1.505 121.923 120.300 0.196 0.000 2.163 447 Y HA -0.032 4.518 4.550 -0.000 0.000 0.288 447 Y C 1.918 177.816 175.900 -0.004 0.000 1.136 447 Y CA 1.606 59.708 58.100 0.003 0.000 1.147 447 Y CB -0.521 37.882 38.460 -0.095 0.000 0.987 447 Y HN 0.230 nan 8.280 nan 0.000 0.509 448 E N -0.281 119.958 120.200 0.065 0.000 2.110 448 E HA -0.233 4.117 4.350 0.000 0.000 0.193 448 E C 2.292 178.874 176.600 -0.029 0.000 0.988 448 E CA 1.177 57.573 56.400 -0.007 0.000 0.804 448 E CB -0.192 29.558 29.700 0.083 0.000 0.745 448 E HN 0.479 nan 8.360 nan 0.000 0.458 449 R N -0.122 120.390 120.500 0.020 0.000 2.120 449 R HA -0.120 4.220 4.340 0.000 0.000 0.234 449 R C 1.592 177.799 176.300 -0.156 0.000 1.123 449 R CA 1.220 57.280 56.100 -0.066 0.000 0.975 449 R CB -0.165 30.084 30.300 -0.085 0.000 0.866 449 R HN 0.299 nan 8.270 nan 0.000 0.446 450 H N -0.953 118.105 119.070 -0.019 0.000 2.551 450 H HA 0.155 4.711 4.556 0.000 0.000 0.271 450 H C 1.616 176.809 175.328 -0.226 0.000 0.984 450 H CA 0.114 56.152 56.048 -0.017 0.000 1.164 450 H CB 0.308 30.200 29.762 0.216 0.000 1.437 450 H HN 0.060 nan 8.280 nan 0.000 0.550 451 M N 0.317 119.717 119.600 -0.334 0.000 2.080 451 M HA -0.219 4.261 4.480 0.000 0.000 0.260 451 M C 1.283 177.235 176.300 -0.580 0.000 1.068 451 M CA 1.823 56.700 55.300 -0.706 0.000 1.109 451 M CB 0.142 32.238 32.600 -0.840 0.000 1.342 451 M HN 0.276 nan 8.290 nan 0.000 0.405 452 D N 0.006 120.245 120.400 -0.268 0.000 2.117 452 D HA -0.162 4.478 4.640 0.000 0.000 0.197 452 D C 1.939 178.223 176.300 -0.026 0.000 0.987 452 D CA 1.102 55.051 54.000 -0.085 0.000 0.829 452 D CB -0.155 40.685 40.800 0.066 0.000 0.961 452 D HN 0.285 nan 8.370 nan 0.000 0.460 453 K N 0.887 121.287 120.400 -0.000 0.000 2.097 453 K HA -0.036 4.284 4.320 0.000 0.000 0.206 453 K C 2.018 178.692 176.600 0.123 0.000 1.049 453 K CA 0.618 56.958 56.287 0.089 0.000 0.933 453 K CB -0.352 32.208 32.500 0.100 0.000 0.717 453 K HN 0.044 nan 8.250 nan 0.000 0.442 454 A N 0.452 123.287 122.820 0.024 0.000 1.873 454 A HA -0.162 4.158 4.320 0.000 0.000 0.215 454 A C 1.972 179.686 177.584 0.217 0.000 1.186 454 A CA 1.196 53.291 52.037 0.096 0.000 0.616 454 A CB -0.646 18.255 19.000 -0.165 0.000 0.823 454 A HN 0.191 nan 8.150 nan 0.000 0.442 455 Y N -0.426 119.789 120.300 -0.142 0.000 2.293 455 Y HA -0.127 4.423 4.550 0.000 0.000 0.291 455 Y C 2.586 178.306 175.900 -0.299 0.000 1.137 455 Y CA 1.324 59.174 58.100 -0.417 0.000 1.202 455 Y CB -0.896 36.859 38.460 -1.175 0.000 0.990 455 Y HN 0.451 nan 8.280 nan 0.000 0.537 456 Q N -0.301 119.531 119.800 0.053 0.000 2.119 456 Q HA -0.169 4.171 4.340 0.000 0.000 0.201 456 Q C 2.131 178.267 176.000 0.227 0.000 0.972 456 Q CA 1.361 57.307 55.803 0.238 0.000 0.847 456 Q CB -0.822 28.079 28.738 0.272 0.000 0.903 456 Q HN 0.397 nan 8.270 nan 0.000 0.433 457 F N -0.136 119.883 119.950 0.116 0.000 2.134 457 F HA -0.158 4.369 4.527 0.000 0.000 0.299 457 F C 1.842 177.710 175.800 0.112 0.000 1.097 457 F CA 1.552 59.629 58.000 0.127 0.000 1.264 457 F CB -0.137 38.953 39.000 0.150 0.000 1.001 457 F HN 0.105 nan 8.300 nan 0.000 0.479 458 M N -0.167 119.539 119.600 0.177 0.000 2.086 458 M HA -0.205 4.275 4.480 0.000 0.000 0.261 458 M C 2.490 178.826 176.300 0.061 0.000 1.067 458 M CA 1.847 57.197 55.300 0.083 0.000 1.116 458 M CB -0.774 31.869 32.600 0.072 0.000 1.348 458 M HN 0.285 nan 8.290 nan 0.000 0.407 459 A N 0.225 123.083 122.820 0.063 0.000 1.902 459 A HA -0.190 4.130 4.320 0.000 0.000 0.217 459 A C 1.650 179.237 177.584 0.004 0.000 1.181 459 A CA 2.020 54.088 52.037 0.052 0.000 0.623 459 A CB -0.729 18.354 19.000 0.138 0.000 0.818 459 A HN 0.415 nan 8.150 nan 0.000 0.443 460 D N -0.119 120.272 120.400 -0.014 0.000 2.312 460 D HA -0.037 4.603 4.640 0.000 0.000 0.211 460 D C 0.575 176.809 176.300 -0.110 0.000 0.964 460 D CA 0.661 54.636 54.000 -0.042 0.000 0.877 460 D CB -0.146 40.638 40.800 -0.027 0.000 0.924 460 D HN 0.443 nan 8.370 nan 0.000 0.515 461 N N -0.551 118.013 118.700 -0.227 0.000 2.291 461 N HA 0.169 4.909 4.740 0.000 0.000 0.244 461 N C 0.778 175.761 175.510 -0.878 0.000 1.216 461 N CA 0.242 53.071 53.050 -0.369 0.000 0.879 461 N CB 1.727 39.981 38.487 -0.387 0.000 1.167 461 N HN 0.074 nan 8.380 nan 0.000 0.515 462 G N 0.920 109.363 108.800 -0.594 0.000 2.143 462 G HA2 -0.302 3.658 3.960 0.000 0.000 0.248 462 G HA3 -0.302 3.658 3.960 0.000 0.000 0.248 462 G C -0.494 174.145 174.900 -0.435 0.000 0.991 462 G CA 0.065 44.801 45.100 -0.607 0.000 0.689 462 G HN 0.394 nan 8.290 nan 0.000 0.522 463 Y N 0.551 120.689 120.300 -0.270 0.000 2.341 463 Y HA 0.458 5.009 4.550 0.000 0.000 0.340 463 Y C 1.109 176.934 175.900 -0.125 0.000 0.997 463 Y CA -0.417 57.577 58.100 -0.178 0.000 1.149 463 Y CB 1.291 39.652 38.460 -0.165 0.000 1.171 463 Y HN 0.244 nan 8.280 nan 0.000 0.494 464 N N -0.475 118.251 118.700 0.044 0.000 2.177 464 N HA 0.094 4.834 4.740 0.000 0.000 0.218 464 N C -0.862 174.661 175.510 0.023 0.000 1.182 464 N CA -0.188 52.872 53.050 0.018 0.000 0.882 464 N CB 0.572 39.073 38.487 0.024 0.000 1.052 464 N HN 0.325 nan 8.380 nan 0.000 0.519 465 S N -1.134 114.573 115.700 0.012 0.000 2.546 465 S HA 0.709 5.179 4.470 0.000 0.000 0.274 465 S C -1.238 173.332 174.600 -0.049 0.000 1.121 465 S CA -0.777 57.411 58.200 -0.021 0.000 0.887 465 S CB 2.058 65.225 63.200 -0.054 0.000 1.094 465 S HN 0.168 nan 8.310 nan 0.000 0.474 466 V N 1.955 121.830 119.914 -0.065 0.000 2.760 466 V HA 0.700 4.820 4.120 0.000 0.000 0.309 466 V C -1.192 174.886 176.094 -0.028 0.000 1.077 466 V CA -0.733 61.509 62.300 -0.096 0.000 0.910 466 V CB 1.917 33.623 31.823 -0.194 0.000 1.008 466 V HN 1.126 nan 8.190 nan 0.000 0.424 467 K N 4.589 124.988 120.400 -0.001 0.000 2.263 467 K HA 0.647 4.967 4.320 0.000 0.000 0.272 467 K C -0.072 176.602 176.600 0.123 0.000 1.033 467 K CA -0.192 56.130 56.287 0.058 0.000 0.884 467 K CB 1.155 33.669 32.500 0.023 0.000 1.107 467 K HN 0.922 nan 8.250 nan 0.000 0.460 468 S N 2.086 117.866 115.700 0.134 0.000 2.722 468 S HA 0.857 5.327 4.470 0.000 0.000 0.292 468 S C 0.074 174.722 174.600 0.079 0.000 1.135 468 S CA -0.749 57.489 58.200 0.063 0.000 1.003 468 S CB 1.800 65.096 63.200 0.160 0.000 1.067 468 S HN 0.697 nan 8.310 nan 0.000 0.546 469 G N -0.728 107.982 108.800 -0.150 0.000 2.704 469 G HA2 0.591 4.551 3.960 0.000 0.000 0.293 469 G HA3 0.591 4.551 3.960 0.000 0.000 0.293 469 G C -2.048 172.696 174.900 -0.259 0.000 1.421 469 G CA -0.724 44.406 45.100 0.050 0.000 0.870 469 G HN 0.654 nan 8.290 nan 0.000 0.492 470 Y N 0.886 121.392 120.300 0.345 0.000 2.477 470 Y HA 0.345 4.895 4.550 0.000 0.000 0.340 470 Y C 0.252 176.394 175.900 0.405 0.000 0.987 470 Y CA -0.674 57.636 58.100 0.350 0.000 1.127 470 Y CB 1.445 40.176 38.460 0.452 0.000 1.139 470 Y HN 0.321 nan 8.280 nan 0.000 0.637 471 V N 1.903 122.056 119.914 0.399 0.000 2.455 471 V HA 0.741 4.861 4.120 0.000 0.000 0.273 471 V C 0.702 176.860 176.094 0.107 0.000 1.045 471 V CA 0.409 62.899 62.300 0.316 0.000 0.976 471 V CB 0.452 32.526 31.823 0.419 0.000 0.993 471 V HN 0.798 nan 8.190 nan 0.000 0.475 472 G N 4.579 113.423 108.800 0.072 0.000 2.423 472 G HA2 -0.126 3.834 3.960 0.000 0.000 0.684 472 G HA3 -0.126 3.834 3.960 0.000 0.000 0.684 472 G C -0.792 174.174 174.900 0.110 0.000 1.309 472 G CA -0.898 44.161 45.100 -0.068 0.000 0.950 472 G HN 0.710 nan 8.290 nan 0.000 0.587 473 N N 0.107 118.818 118.700 0.018 0.000 2.513 473 N HA 0.376 5.116 4.740 0.000 0.000 0.268 473 N C 0.964 176.454 175.510 -0.034 0.000 1.180 473 N CA -0.651 52.426 53.050 0.045 0.000 0.948 473 N CB 0.667 39.152 38.487 -0.003 0.000 1.083 473 N HN 0.466 nan 8.380 nan 0.000 0.455 474 I N 2.652 123.155 120.570 -0.111 0.000 2.815 474 I HA -0.032 4.138 4.170 0.000 0.000 0.291 474 I C 0.410 176.467 176.117 -0.100 0.000 1.209 474 I CA 0.639 61.847 61.300 -0.154 0.000 1.431 474 I CB -0.282 37.587 38.000 -0.218 0.000 1.351 474 I HN 0.466 nan 8.210 nan 0.000 0.585 475 I N 7.355 127.887 120.570 -0.065 0.000 2.447 475 I HA 0.245 4.415 4.170 0.000 0.000 0.287 475 I C -2.174 173.930 176.117 -0.022 0.000 1.023 475 I CA -1.999 59.270 61.300 -0.053 0.000 1.083 475 I CB 2.243 40.223 38.000 -0.033 0.000 1.245 475 I HN 0.335 nan 8.210 nan 0.000 0.434 476 P HA -0.041 nan 4.420 nan 0.000 0.260 476 P C -0.739 176.471 177.300 -0.150 0.000 1.172 476 P CA 0.181 63.214 63.100 -0.113 0.000 0.760 476 P CB 0.304 31.888 31.700 -0.195 0.000 0.773 477 R N 2.627 123.047 120.500 -0.134 0.000 2.421 477 R HA 0.369 4.709 4.340 0.000 0.000 0.305 477 R C 1.494 177.693 176.300 -0.168 0.000 1.039 477 R CA 0.632 56.652 56.100 -0.134 0.000 1.003 477 R CB -0.160 30.079 30.300 -0.101 0.000 0.959 477 R HN 0.833 nan 8.270 nan 0.000 0.427 478 G N 1.760 110.442 108.800 -0.196 0.000 2.545 478 G HA2 -0.177 3.783 3.960 0.000 0.000 0.195 478 G HA3 -0.177 3.783 3.960 0.000 0.000 0.195 478 G C 0.017 174.702 174.900 -0.358 0.000 1.009 478 G CA -0.607 44.354 45.100 -0.232 0.000 0.703 478 G HN 0.470 nan 8.290 nan 0.000 0.479 479 E N 1.205 121.205 120.200 -0.334 0.000 2.349 479 E HA 0.522 4.872 4.350 0.000 0.000 0.262 479 E C -0.204 176.171 176.600 -0.375 0.000 1.088 479 E CA -0.266 55.938 56.400 -0.326 0.000 0.899 479 E CB 0.602 30.177 29.700 -0.209 0.000 1.044 479 E HN 0.520 nan 8.360 nan 0.000 0.420 480 H N 0.314 119.387 119.070 0.004 0.000 2.595 480 H HA 0.178 4.734 4.556 -0.000 0.000 0.346 480 H C 0.720 176.064 175.328 0.026 0.000 1.181 480 H CA -0.421 55.659 56.048 0.052 0.000 1.242 480 H CB 0.960 30.788 29.762 0.110 0.000 1.652 480 H HN 0.541 nan 8.280 nan 0.000 0.548 481 H N 0.677 119.757 119.070 0.016 0.000 2.422 481 H HA -0.125 4.431 4.556 0.000 0.000 0.298 481 H C 0.373 175.814 175.328 0.190 0.000 1.098 481 H CA 1.646 57.673 56.048 -0.036 0.000 1.315 481 H CB 0.154 29.716 29.762 -0.333 0.000 1.382 481 H HN 0.449 nan 8.280 nan 0.000 0.523 482 Y N -0.714 119.891 120.300 0.508 0.000 2.636 482 Y HA 0.366 4.916 4.550 -0.000 0.000 0.260 482 Y C 1.395 177.479 175.900 0.307 0.000 1.177 482 Y CA -0.541 57.814 58.100 0.425 0.000 1.209 482 Y CB -0.328 38.395 38.460 0.438 0.000 1.166 482 Y HN 0.040 nan 8.280 nan 0.000 0.531 483 G N 0.008 109.015 108.800 0.346 0.000 2.616 483 G HA2 0.053 4.013 3.960 0.000 0.000 0.268 483 G HA3 0.053 4.013 3.960 0.000 0.000 0.268 483 G C 0.875 175.901 174.900 0.209 0.000 1.213 483 G CA -0.337 44.899 45.100 0.228 0.000 0.926 483 G HN 0.321 nan 8.290 nan 0.000 0.523 484 Q N -0.822 119.070 119.800 0.153 0.000 2.135 484 Q HA -0.147 4.193 4.340 0.000 0.000 0.204 484 Q C 1.955 178.045 176.000 0.150 0.000 0.981 484 Q CA 1.446 57.331 55.803 0.136 0.000 0.856 484 Q CB -0.141 28.652 28.738 0.093 0.000 0.902 484 Q HN 0.808 nan 8.270 nan 0.000 0.425 485 W N 0.219 121.502 121.300 -0.028 0.000 2.354 485 W HA -0.223 4.437 4.660 0.000 0.000 0.315 485 W C 1.624 178.084 176.519 -0.098 0.000 1.206 485 W CA 1.023 58.324 57.345 -0.074 0.000 1.290 485 W CB -0.088 29.311 29.460 -0.101 0.000 1.152 485 W HN 0.272 nan 8.180 nan 0.000 0.489 486 M N 0.878 120.513 119.600 0.059 0.000 2.254 486 M HA -0.163 4.317 4.480 0.000 0.000 0.265 486 M C 1.505 177.562 176.300 -0.405 0.000 1.066 486 M CA 1.207 56.350 55.300 -0.261 0.000 1.123 486 M CB -1.790 30.693 32.600 -0.196 0.000 1.388 486 M HN -0.006 nan 8.290 nan 0.000 0.425 487 N N 0.850 119.545 118.700 -0.009 0.000 2.166 487 N HA -0.160 4.580 4.740 0.000 0.000 0.186 487 N C 1.463 176.995 175.510 0.037 0.000 1.019 487 N CA 0.940 54.089 53.050 0.165 0.000 0.856 487 N CB -0.662 37.961 38.487 0.228 0.000 0.993 487 N HN 0.449 nan 8.380 nan 0.000 0.426 488 N N 0.841 119.495 118.700 -0.078 0.000 2.084 488 N HA -0.201 4.539 4.740 0.000 0.000 0.190 488 N C 1.732 177.148 175.510 -0.156 0.000 1.030 488 N CA 1.221 54.192 53.050 -0.132 0.000 0.849 488 N CB -0.249 38.077 38.487 -0.268 0.000 1.012 488 N HN 0.365 nan 8.380 nan 0.000 0.423 489 H N -0.226 118.634 119.070 -0.349 0.000 2.319 489 H HA -0.120 4.436 4.556 0.000 0.000 0.299 489 H C 1.756 177.064 175.328 -0.033 0.000 1.092 489 H CA 2.249 58.144 56.048 -0.255 0.000 1.302 489 H CB -0.676 28.848 29.762 -0.396 0.000 1.373 489 H HN 0.329 nan 8.280 nan 0.000 0.497 490 Y N -0.863 119.383 120.300 -0.089 0.000 2.165 490 Y HA -0.211 4.340 4.550 0.000 0.000 0.286 490 Y C 2.554 178.417 175.900 -0.062 0.000 1.155 490 Y CA 0.636 58.694 58.100 -0.068 0.000 1.164 490 Y CB -0.235 38.259 38.460 0.058 0.000 0.978 490 Y HN 0.270 nan 8.280 nan 0.000 0.513 491 L N -0.832 120.454 121.223 0.106 0.000 2.156 491 L HA -0.181 4.159 4.340 0.000 0.000 0.208 491 L C 2.228 179.067 176.870 -0.051 0.000 1.095 491 L CA 1.407 56.258 54.840 0.017 0.000 0.770 491 L CB -1.018 41.058 42.059 0.028 0.000 0.914 491 L HN 0.295 nan 8.230 nan 0.000 0.439 492 Y N 0.335 120.532 120.300 -0.172 0.000 2.128 492 Y HA -0.243 4.307 4.550 0.000 0.000 0.284 492 Y C 2.359 178.175 175.900 -0.139 0.000 1.154 492 Y CA 1.811 59.808 58.100 -0.172 0.000 1.149 492 Y CB -0.640 37.698 38.460 -0.203 0.000 0.976 492 Y HN 0.212 nan 8.280 nan 0.000 0.505 493 A N -0.634 122.059 122.820 -0.211 0.000 1.933 493 A HA -0.144 4.176 4.320 0.000 0.000 0.218 493 A C 2.360 179.941 177.584 -0.004 0.000 1.175 493 A CA 2.033 53.981 52.037 -0.148 0.000 0.628 493 A CB -1.291 17.701 19.000 -0.014 0.000 0.814 493 A HN 0.359 nan 8.150 nan 0.000 0.444 494 V N -0.133 119.766 119.914 -0.025 0.000 2.379 494 V HA -0.226 3.894 4.120 0.000 0.000 0.245 494 V C 2.432 178.456 176.094 -0.118 0.000 1.044 494 V CA 2.289 64.574 62.300 -0.024 0.000 1.036 494 V CB -0.581 31.230 31.823 -0.020 0.000 0.664 494 V HN 0.546 nan 8.190 nan 0.000 0.453 495 K N 0.092 120.341 120.400 -0.250 0.000 2.057 495 K HA -0.193 4.127 4.320 0.000 0.000 0.206 495 K C 2.269 178.807 176.600 -0.103 0.000 1.050 495 K CA 1.435 57.571 56.287 -0.252 0.000 0.935 495 K CB -0.190 32.141 32.500 -0.282 0.000 0.715 495 K HN 0.313 nan 8.250 nan 0.000 0.439 496 K N 0.898 121.209 120.400 -0.148 0.000 2.057 496 K HA -0.102 4.218 4.320 0.000 0.000 0.206 496 K C 2.115 178.775 176.600 0.101 0.000 1.050 496 K CA 1.152 57.422 56.287 -0.027 0.000 0.935 496 K CB -0.074 32.340 32.500 -0.144 0.000 0.715 496 K HN 0.120 nan 8.250 nan 0.000 0.439 497 A N 1.168 123.960 122.820 -0.046 0.000 1.940 497 A HA -0.125 4.195 4.320 0.000 0.000 0.219 497 A C 2.315 179.836 177.584 -0.106 0.000 1.176 497 A CA 1.875 53.689 52.037 -0.371 0.000 0.631 497 A CB -0.772 18.034 19.000 -0.324 0.000 0.814 497 A HN 0.481 nan 8.150 nan 0.000 0.446 498 A N -0.042 122.812 122.820 0.057 0.000 1.933 498 A HA -0.189 4.131 4.320 0.000 0.000 0.218 498 A C 1.688 179.272 177.584 0.000 0.000 1.175 498 A CA 1.866 54.022 52.037 0.198 0.000 0.628 498 A CB -0.564 18.635 19.000 0.331 0.000 0.814 498 A HN 0.455 nan 8.150 nan 0.000 0.444 499 D N -1.624 118.773 120.400 -0.005 0.000 2.263 499 D HA -0.108 4.532 4.640 0.000 0.000 0.208 499 D C 0.785 176.927 176.300 -0.264 0.000 0.971 499 D CA 1.134 55.069 54.000 -0.108 0.000 0.867 499 D CB -0.228 40.513 40.800 -0.098 0.000 0.929 499 D HN 0.658 nan 8.370 nan 0.000 0.492 500 Y N 0.134 120.271 120.300 -0.273 0.000 2.485 500 Y HA 0.186 4.736 4.550 -0.000 0.000 0.260 500 Y C 0.395 176.000 175.900 -0.491 0.000 1.173 500 Y CA -0.223 57.693 58.100 -0.306 0.000 1.252 500 Y CB 0.228 38.525 38.460 -0.272 0.000 1.123 500 Y HN -0.253 nan 8.280 nan 0.000 0.524 501 K N 0.677 120.671 120.400 -0.677 0.000 3.150 501 K HA -0.205 4.115 4.320 0.000 0.000 0.267 501 K C -0.778 175.334 176.600 -0.813 0.000 1.028 501 K CA 0.501 55.841 56.287 -1.577 0.000 0.753 501 K CB -1.886 29.806 32.500 -1.345 0.000 1.288 501 K HN 0.334 nan 8.250 nan 0.000 0.473 502 I N 0.958 121.313 120.570 -0.358 0.000 2.441 502 I HA 0.318 4.488 4.170 0.000 0.000 0.295 502 I C 0.544 176.770 176.117 0.182 0.000 0.994 502 I CA -0.875 60.374 61.300 -0.084 0.000 1.144 502 I CB 1.557 39.363 38.000 -0.323 0.000 1.314 502 I HN 0.032 nan 8.210 nan 0.000 0.445 503 M N 5.425 125.145 119.600 0.199 0.000 2.277 503 M HA 0.477 4.957 4.480 0.000 0.000 0.350 503 M C -0.863 175.479 176.300 0.070 0.000 1.180 503 M CA -0.701 54.703 55.300 0.174 0.000 1.103 503 M CB 1.869 34.535 32.600 0.110 0.000 1.577 503 M HN 0.225 nan 8.290 nan 0.000 0.459 504 V N 2.431 122.400 119.914 0.092 0.000 2.604 504 V HA 0.426 4.546 4.120 0.000 0.000 0.305 504 V C -0.668 175.487 176.094 0.103 0.000 1.043 504 V CA -0.777 61.584 62.300 0.101 0.000 0.888 504 V CB 1.978 33.892 31.823 0.152 0.000 0.995 504 V HN 0.869 nan 8.190 nan 0.000 0.429 505 N N 3.167 121.934 118.700 0.111 0.000 2.623 505 N HA 0.566 5.306 4.740 0.000 0.000 0.256 505 N C -0.666 174.995 175.510 0.252 0.000 1.045 505 N CA -0.203 52.933 53.050 0.142 0.000 0.863 505 N CB 1.606 40.138 38.487 0.075 0.000 1.182 505 N HN 0.868 nan 8.380 nan 0.000 0.523 506 A N 3.619 126.612 122.820 0.289 0.000 2.260 506 A HA 0.343 4.663 4.320 0.000 0.000 0.312 506 A C -0.346 177.497 177.584 0.431 0.000 1.321 506 A CA -0.514 51.750 52.037 0.378 0.000 0.928 506 A CB -0.061 19.150 19.000 0.352 0.000 1.158 506 A HN 0.802 nan 8.150 nan 0.000 0.542 507 H N 1.155 120.407 119.070 0.303 0.000 2.551 507 H HA 0.203 4.759 4.556 -0.000 0.000 0.358 507 H C 0.158 175.731 175.328 0.408 0.000 1.151 507 H CA 0.177 56.413 56.048 0.313 0.000 1.374 507 H CB 0.842 30.799 29.762 0.325 0.000 1.473 507 H HN 0.933 nan 8.280 nan 0.000 0.574 508 E N -1.518 118.937 120.200 0.425 0.000 3.799 508 E HA -0.226 4.124 4.350 0.000 0.000 0.320 508 E C -0.277 176.545 176.600 0.370 0.000 0.760 508 E CA 0.764 57.413 56.400 0.416 0.000 1.153 508 E CB -1.120 28.905 29.700 0.541 0.000 1.589 508 E HN 0.686 nan 8.360 nan 0.000 0.448 509 A N 0.078 122.968 122.820 0.117 0.000 2.296 509 A HA 0.552 4.872 4.320 0.000 0.000 0.264 509 A C 0.624 178.126 177.584 -0.137 0.000 1.097 509 A CA 0.242 51.980 52.037 -0.497 0.000 0.811 509 A CB 0.471 18.984 19.000 -0.812 0.000 1.072 509 A HN 0.065 nan 8.150 nan 0.000 0.495 510 T N 1.444 115.885 114.554 -0.189 0.000 2.934 510 T HA 0.311 4.661 4.350 0.000 0.000 0.306 510 T C 0.589 175.236 174.700 -0.088 0.000 1.042 510 T CA 0.232 62.323 62.100 -0.015 0.000 1.145 510 T CB -0.050 68.945 68.868 0.211 0.000 0.982 510 T HN 0.723 nan 8.240 nan 0.000 0.544 511 R N 4.050 124.467 120.500 -0.138 0.000 2.623 511 R HA 0.234 4.574 4.340 0.000 0.000 0.271 511 R C -2.473 173.861 176.300 0.056 0.000 1.043 511 R CA -1.205 54.886 56.100 -0.015 0.000 1.083 511 R CB -0.856 29.446 30.300 0.003 0.000 0.974 511 R HN 0.301 nan 8.270 nan 0.000 0.436 512 P HA -0.002 nan 4.420 nan 0.000 0.269 512 P C -0.431 176.957 177.300 0.146 0.000 1.209 512 P CA -0.103 63.072 63.100 0.125 0.000 0.776 512 P CB 0.937 32.724 31.700 0.145 0.000 0.876 513 T N -2.696 111.913 114.554 0.091 0.000 3.460 513 T HA 0.462 4.812 4.350 0.000 0.000 0.304 513 T C 0.946 175.656 174.700 0.016 0.000 0.991 513 T CA 0.139 62.242 62.100 0.004 0.000 0.975 513 T CB -0.692 68.130 68.868 -0.077 0.000 1.196 513 T HN 0.686 nan 8.240 nan 0.000 0.490 514 G N 1.637 110.477 108.800 0.067 0.000 2.157 514 G HA2 -0.252 3.708 3.960 0.000 0.000 0.248 514 G HA3 -0.252 3.708 3.960 0.000 0.000 0.248 514 G C 0.722 175.648 174.900 0.044 0.000 0.979 514 G CA 0.153 45.283 45.100 0.049 0.000 0.650 514 G HN 0.604 nan 8.290 nan 0.000 0.529 515 I N 1.232 121.853 120.570 0.086 0.000 2.756 515 I HA -0.190 3.980 4.170 0.000 0.000 0.262 515 I C 3.036 179.230 176.117 0.128 0.000 1.225 515 I CA 1.340 62.710 61.300 0.116 0.000 1.472 515 I CB -0.507 37.601 38.000 0.179 0.000 1.094 515 I HN 0.633 nan 8.210 nan 0.000 0.454 516 C N 0.113 119.489 119.300 0.128 0.000 2.419 516 C HA -0.122 4.338 4.460 0.000 0.000 0.283 516 C C 2.839 177.792 174.990 -0.061 0.000 1.373 516 C CA 0.329 59.419 59.018 0.119 0.000 1.781 516 C CB -1.516 26.341 27.740 0.195 0.000 1.886 516 C HN 0.522 nan 8.230 nan 0.000 0.520 517 R N 1.469 121.911 120.500 -0.095 0.000 2.081 517 R HA -0.111 4.229 4.340 0.000 0.000 0.235 517 R C 2.098 178.253 176.300 -0.242 0.000 1.131 517 R CA 2.175 58.163 56.100 -0.187 0.000 0.960 517 R CB -0.532 29.612 30.300 -0.259 0.000 0.856 517 R HN 0.611 nan 8.270 nan 0.000 0.436 518 T N -0.766 113.650 114.554 -0.230 0.000 2.812 518 T HA -0.074 4.276 4.350 0.000 0.000 0.264 518 T C -0.138 174.202 174.700 -0.599 0.000 1.042 518 T CA 1.092 62.944 62.100 -0.414 0.000 1.140 518 T CB -0.048 68.585 68.868 -0.392 0.000 0.870 518 T HN 0.197 nan 8.240 nan 0.000 0.445 519 Y N 0.460 120.761 120.300 0.003 0.000 2.787 519 Y HA 0.362 4.912 4.550 -0.000 0.000 0.352 519 Y C -2.284 173.658 175.900 0.069 0.000 1.027 519 Y CA -2.976 55.153 58.100 0.047 0.000 1.219 519 Y CB 1.399 39.910 38.460 0.086 0.000 1.110 519 Y HN 0.055 nan 8.280 nan 0.000 0.614 520 P HA -0.151 nan 4.420 nan 0.000 0.226 520 P C 1.057 178.559 177.300 0.338 0.000 1.146 520 P CA 1.301 64.480 63.100 0.132 0.000 0.773 520 P CB 0.279 31.935 31.700 -0.074 0.000 0.772 521 N N -0.286 118.538 118.700 0.207 0.000 2.515 521 N HA -0.072 4.668 4.740 0.000 0.000 0.185 521 N C 0.469 176.119 175.510 0.233 0.000 1.109 521 N CA 0.282 53.440 53.050 0.180 0.000 0.903 521 N CB -0.601 38.055 38.487 0.281 0.000 0.969 521 N HN 0.149 nan 8.380 nan 0.000 0.450 522 L N 2.351 123.754 121.223 0.299 0.000 2.375 522 L HA 0.262 4.602 4.340 0.000 0.000 0.276 522 L C 1.042 178.091 176.870 0.299 0.000 1.162 522 L CA -0.376 54.622 54.840 0.264 0.000 0.991 522 L CB -0.301 41.922 42.059 0.272 0.000 1.315 522 L HN 0.194 nan 8.230 nan 0.000 0.431 523 I N 0.505 121.134 120.570 0.098 0.000 3.564 523 I HA 0.524 4.694 4.170 0.000 0.000 0.294 523 I C 0.761 176.771 176.117 -0.179 0.000 1.289 523 I CA 0.218 61.390 61.300 -0.213 0.000 1.325 523 I CB -0.453 37.313 38.000 -0.391 0.000 1.039 523 I HN 0.570 nan 8.210 nan 0.000 0.474 524 G N 0.471 109.279 108.800 0.014 0.000 2.387 524 G HA2 0.471 4.431 3.960 0.000 0.000 0.294 524 G HA3 0.471 4.431 3.960 0.000 0.000 0.294 524 G C -2.120 172.848 174.900 0.113 0.000 1.509 524 G CA -0.849 44.276 45.100 0.041 0.000 0.806 524 G HN 0.286 nan 8.290 nan 0.000 0.546 525 N N -1.196 117.563 118.700 0.099 0.000 2.708 525 N HA 0.422 5.162 4.740 0.000 0.000 0.257 525 N C 0.421 175.925 175.510 -0.010 0.000 1.373 525 N CA -0.746 52.361 53.050 0.094 0.000 0.843 525 N CB 3.102 41.637 38.487 0.080 0.000 1.503 525 N HN 0.631 nan 8.380 nan 0.000 0.504 526 E N 0.090 120.201 120.200 -0.148 0.000 2.062 526 E HA 0.168 4.518 4.350 0.000 0.000 0.196 526 E C -0.459 176.128 176.600 -0.022 0.000 0.949 526 E CA 0.425 56.669 56.400 -0.260 0.000 0.889 526 E CB 0.107 29.409 29.700 -0.664 0.000 0.928 526 E HN 0.503 nan 8.360 nan 0.000 0.476 527 S N -0.008 115.709 115.700 0.027 0.000 3.549 527 S HA -0.152 4.318 4.470 0.000 0.000 0.366 527 S C -0.352 174.302 174.600 0.089 0.000 1.012 527 S CA 0.461 58.707 58.200 0.076 0.000 1.141 527 S CB -1.871 61.356 63.200 0.044 0.000 0.910 527 S HN 0.700 nan 8.310 nan 0.000 0.471 528 A N -0.012 122.878 122.820 0.117 0.000 2.490 528 A HA 0.704 5.024 4.320 0.000 0.000 0.292 528 A C -0.460 177.236 177.584 0.186 0.000 1.047 528 A CA -0.803 51.327 52.037 0.156 0.000 0.632 528 A CB 0.696 19.816 19.000 0.200 0.000 1.323 528 A HN 0.303 nan 8.150 nan 0.000 0.448 529 R N 0.530 121.162 120.500 0.221 0.000 2.343 529 R HA 0.423 4.763 4.340 0.000 0.000 0.326 529 R C 0.574 177.116 176.300 0.403 0.000 1.055 529 R CA 0.881 57.074 56.100 0.154 0.000 0.961 529 R CB 0.185 30.442 30.300 -0.072 0.000 0.978 529 R HN 1.035 nan 8.270 nan 0.000 0.443 530 G N 1.160 110.153 108.800 0.321 0.000 2.568 530 G HA2 0.055 4.015 3.960 0.000 0.000 0.293 530 G HA3 0.055 4.015 3.960 0.000 0.000 0.293 530 G C 0.566 175.392 174.900 -0.123 0.000 1.347 530 G CA -0.455 44.680 45.100 0.058 0.000 1.039 530 G HN 0.552 nan 8.290 nan 0.000 0.523 531 T N 0.121 114.347 114.554 -0.546 0.000 2.849 531 T HA -0.135 4.215 4.350 0.000 0.000 0.270 531 T C 2.211 176.952 174.700 0.067 0.000 1.066 531 T CA 1.937 63.870 62.100 -0.278 0.000 1.130 531 T CB -0.261 68.418 68.868 -0.315 0.000 0.864 531 T HN 0.784 nan 8.240 nan 0.000 0.481 532 E N 0.264 120.572 120.200 0.180 0.000 2.171 532 E HA -0.224 4.126 4.350 0.000 0.000 0.197 532 E C 1.419 177.607 176.600 -0.687 0.000 0.997 532 E CA 1.381 57.743 56.400 -0.062 0.000 0.810 532 E CB -0.683 29.062 29.700 0.076 0.000 0.738 532 E HN 0.573 nan 8.360 nan 0.000 0.467 533 Y N 1.412 121.540 120.300 -0.286 0.000 2.571 533 Y HA -0.015 4.535 4.550 0.000 0.000 0.294 533 Y C 1.904 177.726 175.900 -0.129 0.000 1.141 533 Y CA 0.855 58.836 58.100 -0.198 0.000 1.308 533 Y CB 0.231 38.729 38.460 0.063 0.000 1.002 533 Y HN 0.048 nan 8.280 nan 0.000 0.551 534 E N -1.043 119.164 120.200 0.012 0.000 2.418 534 E HA -0.115 4.235 4.350 0.000 0.000 0.197 534 E C 1.895 178.519 176.600 0.040 0.000 1.026 534 E CA 0.718 57.160 56.400 0.070 0.000 0.862 534 E CB 0.092 29.864 29.700 0.121 0.000 0.799 534 E HN 0.239 nan 8.360 nan 0.000 0.518 535 S N -0.942 114.657 115.700 -0.167 0.000 2.524 535 S HA 0.131 4.601 4.470 0.000 0.000 0.215 535 S C 0.846 175.426 174.600 -0.033 0.000 0.986 535 S CA -0.423 57.624 58.200 -0.255 0.000 0.911 535 S CB 0.058 62.851 63.200 -0.678 0.000 0.805 535 S HN 0.166 nan 8.310 nan 0.000 0.501 536 F N 0.869 120.801 119.950 -0.031 0.000 2.684 536 F HA 0.411 4.938 4.527 0.000 0.000 0.298 536 F C 1.693 177.533 175.800 0.067 0.000 1.120 536 F CA -0.164 57.825 58.000 -0.018 0.000 1.332 536 F CB 0.906 39.857 39.000 -0.081 0.000 0.986 536 F HN 0.411 nan 8.300 nan 0.000 0.524 537 G N 0.058 108.985 108.800 0.212 0.000 2.380 537 G HA2 0.148 4.108 3.960 0.000 0.000 0.197 537 G HA3 0.148 4.108 3.960 0.000 0.000 0.197 537 G C 0.359 175.330 174.900 0.119 0.000 1.001 537 G CA -0.300 44.895 45.100 0.158 0.000 0.668 537 G HN 0.982 nan 8.290 nan 0.000 0.483 538 G N -0.549 108.322 108.800 0.118 0.000 2.570 538 G HA2 0.308 4.268 3.960 0.000 0.000 0.686 538 G HA3 0.308 4.268 3.960 0.000 0.000 0.686 538 G C -0.974 173.933 174.900 0.012 0.000 1.257 538 G CA 0.000 45.132 45.100 0.052 0.000 0.846 538 G HN 0.959 nan 8.290 nan 0.000 0.627 539 N N 0.439 119.106 118.700 -0.054 0.000 2.443 539 N HA 0.510 5.250 4.740 0.000 0.000 0.293 539 N C 0.256 175.636 175.510 -0.217 0.000 1.159 539 N CA -0.747 52.214 53.050 -0.148 0.000 0.904 539 N CB 1.149 39.550 38.487 -0.142 0.000 1.214 539 N HN 0.547 nan 8.380 nan 0.000 0.513 540 K N 0.682 120.926 120.400 -0.259 0.000 2.469 540 K HA 0.029 4.349 4.320 0.000 0.000 0.274 540 K C 1.062 177.423 176.600 -0.397 0.000 0.983 540 K CA -0.018 56.024 56.287 -0.409 0.000 0.974 540 K CB 0.527 32.674 32.500 -0.587 0.000 0.913 540 K HN 0.265 nan 8.250 nan 0.000 0.493 541 V N 2.311 121.893 119.914 -0.552 0.000 2.469 541 V HA -0.264 3.856 4.120 0.000 0.000 0.251 541 V C 1.807 177.800 176.094 -0.168 0.000 1.064 541 V CA 1.860 63.883 62.300 -0.463 0.000 1.066 541 V CB -0.877 30.621 31.823 -0.542 0.000 0.667 541 V HN 0.798 nan 8.190 nan 0.000 0.461 542 Y N -2.192 118.085 120.300 -0.039 0.000 2.490 542 Y HA 0.165 4.715 4.550 0.000 0.000 0.281 542 Y C 2.281 178.192 175.900 0.018 0.000 1.174 542 Y CA 0.310 58.404 58.100 -0.008 0.000 1.295 542 Y CB -0.764 37.702 38.460 0.009 0.000 1.062 542 Y HN 0.272 nan 8.280 nan 0.000 0.522 543 H N 2.578 121.803 119.070 0.259 0.000 2.289 543 H HA -0.212 4.344 4.556 -0.000 0.000 0.294 543 H C 2.193 177.536 175.328 0.025 0.000 1.095 543 H CA 2.901 59.071 56.048 0.203 0.000 1.256 543 H CB -0.492 29.363 29.762 0.155 0.000 1.359 543 H HN 0.478 nan 8.280 nan 0.000 0.487 544 T N -2.843 111.669 114.554 -0.070 0.000 3.163 544 T HA -0.074 4.276 4.350 0.000 0.000 0.260 544 T C 1.633 176.207 174.700 -0.211 0.000 1.156 544 T CA 1.047 62.986 62.100 -0.268 0.000 1.072 544 T CB -0.640 68.069 68.868 -0.265 0.000 0.937 544 T HN 0.547 nan 8.240 nan 0.000 0.528 545 T N -1.585 112.893 114.554 -0.127 0.000 3.086 545 T HA 0.406 4.756 4.350 0.000 0.000 0.250 545 T C 1.478 176.076 174.700 -0.169 0.000 1.074 545 T CA -0.280 61.745 62.100 -0.125 0.000 0.988 545 T CB -0.377 68.436 68.868 -0.091 0.000 0.988 545 T HN 0.487 nan 8.240 nan 0.000 0.530 546 I N -0.449 119.963 120.570 -0.263 0.000 3.812 546 I HA 0.251 4.421 4.170 0.000 0.000 0.292 546 I C 2.082 177.943 176.117 -0.426 0.000 1.206 546 I CA -0.048 61.001 61.300 -0.418 0.000 1.370 546 I CB 0.092 37.713 38.000 -0.632 0.000 1.328 546 I HN 0.095 nan 8.210 nan 0.000 0.453 547 L N 1.734 122.681 121.223 -0.460 0.000 2.051 547 L HA -0.182 4.158 4.340 0.000 0.000 0.214 547 L C -0.513 176.190 176.870 -0.278 0.000 1.076 547 L CA 1.992 56.607 54.840 -0.374 0.000 0.758 547 L CB -1.838 39.975 42.059 -0.409 0.000 0.890 547 L HN 0.193 nan 8.230 nan 0.000 0.433 548 P HA -0.148 nan 4.420 nan 0.000 0.220 548 P C 1.246 178.277 177.300 -0.449 0.000 1.148 548 P CA 1.397 64.278 63.100 -0.364 0.000 0.803 548 P CB 0.006 31.434 31.700 -0.453 0.000 0.782 549 F N -1.218 118.518 119.950 -0.356 0.000 2.743 549 F HA 0.008 4.536 4.527 0.000 0.000 0.297 549 F C 1.980 177.593 175.800 -0.312 0.000 1.131 549 F CA 1.148 58.930 58.000 -0.364 0.000 1.426 549 F CB -0.513 38.207 39.000 -0.465 0.000 1.116 549 F HN 0.022 nan 8.300 nan 0.000 0.583 550 T N -2.880 111.589 114.554 -0.141 0.000 3.409 550 T HA 0.132 4.482 4.350 0.000 0.000 0.188 550 T C 1.807 176.427 174.700 -0.133 0.000 0.929 550 T CA 0.017 62.037 62.100 -0.133 0.000 1.184 550 T CB -0.387 68.431 68.868 -0.083 0.000 1.570 550 T HN -0.133 nan 8.240 nan 0.000 0.367 551 R N 1.547 122.018 120.500 -0.048 0.000 2.103 551 R HA 0.109 4.449 4.340 0.000 0.000 0.242 551 R C 2.289 178.575 176.300 -0.022 0.000 1.142 551 R CA 1.692 57.789 56.100 -0.004 0.000 0.960 551 R CB -1.627 28.707 30.300 0.056 0.000 0.858 551 R HN 0.619 nan 8.270 nan 0.000 0.439 552 L N 0.379 121.567 121.223 -0.058 0.000 2.362 552 L HA 0.028 4.368 4.340 0.000 0.000 0.219 552 L C 0.236 177.106 176.870 -0.000 0.000 1.134 552 L CA 0.068 54.899 54.840 -0.015 0.000 0.807 552 L CB -0.189 41.844 42.059 -0.044 0.000 0.927 552 L HN -0.048 nan 8.230 nan 0.000 0.447 553 V N 1.228 121.106 119.914 -0.059 0.000 2.403 553 V HA 0.309 4.429 4.120 0.000 0.000 0.265 553 V C 1.142 177.308 176.094 0.121 0.000 1.034 553 V CA 0.952 63.237 62.300 -0.026 0.000 1.036 553 V CB 0.116 31.875 31.823 -0.107 0.000 1.032 553 V HN 0.605 nan 8.190 nan 0.000 0.478 554 G N 3.359 112.240 108.800 0.136 0.000 2.284 554 G HA2 0.204 4.164 3.960 0.000 0.000 0.201 554 G HA3 0.204 4.164 3.960 0.000 0.000 0.201 554 G C 0.372 175.371 174.900 0.164 0.000 0.998 554 G CA -0.217 44.985 45.100 0.170 0.000 0.651 554 G HN 1.777 nan 8.290 nan 0.000 0.489 555 G N -0.421 108.487 108.800 0.180 0.000 2.358 555 G HA2 0.618 4.578 3.960 0.000 0.000 0.301 555 G HA3 0.618 4.578 3.960 0.000 0.000 0.301 555 G C -3.244 171.797 174.900 0.234 0.000 1.539 555 G CA 0.181 45.428 45.100 0.244 0.000 0.893 555 G HN 0.523 nan 8.290 nan 0.000 0.636 556 P HA 0.381 nan 4.420 nan 0.000 0.272 556 P C -0.400 176.939 177.300 0.064 0.000 1.240 556 P CA -0.210 62.970 63.100 0.134 0.000 0.791 556 P CB 1.212 32.905 31.700 -0.013 0.000 0.978 557 M N 1.279 120.890 119.600 0.019 0.000 2.393 557 M HA 0.266 4.746 4.480 0.000 0.000 0.316 557 M C -0.781 175.543 176.300 0.040 0.000 1.087 557 M CA -0.690 54.635 55.300 0.042 0.000 0.937 557 M CB 1.654 34.296 32.600 0.071 0.000 1.668 557 M HN 0.087 nan 8.290 nan 0.000 0.438 558 D N 2.796 123.229 120.400 0.055 0.000 2.558 558 D HA 0.044 4.684 4.640 0.000 0.000 0.221 558 D C 0.107 176.464 176.300 0.096 0.000 1.143 558 D CA 0.246 54.301 54.000 0.092 0.000 1.010 558 D CB -0.150 40.763 40.800 0.189 0.000 1.068 558 D HN 0.591 nan 8.370 nan 0.000 0.511 559 Y N 2.683 122.964 120.300 -0.031 0.000 2.561 559 Y HA -0.041 4.509 4.550 -0.000 0.000 0.291 559 Y C 1.076 176.963 175.900 -0.021 0.000 1.141 559 Y CA 1.244 59.336 58.100 -0.013 0.000 1.303 559 Y CB 0.036 38.471 38.460 -0.042 0.000 1.015 559 Y HN 0.427 nan 8.280 nan 0.000 0.547 560 T N -0.338 114.167 114.554 -0.082 0.000 3.580 560 T HA -0.150 4.200 4.350 0.000 0.000 0.402 560 T C -2.376 172.228 174.700 -0.160 0.000 0.765 560 T CA 0.155 62.131 62.100 -0.207 0.000 2.064 560 T CB -2.045 66.582 68.868 -0.401 0.000 1.724 560 T HN 0.351 nan 8.240 nan 0.000 0.719 561 P HA 0.562 nan 4.420 nan 0.000 0.297 561 P C 1.266 178.581 177.300 0.025 0.000 1.303 561 P CA 0.937 64.006 63.100 -0.051 0.000 0.753 561 P CB 0.084 31.656 31.700 -0.214 0.000 1.281 562 G N -1.426 107.470 108.800 0.161 0.000 2.130 562 G HA2 -0.133 3.827 3.960 0.000 0.000 0.216 562 G HA3 -0.133 3.827 3.960 0.000 0.000 0.216 562 G C -0.105 174.829 174.900 0.058 0.000 0.999 562 G CA -0.508 44.762 45.100 0.283 0.000 0.686 562 G HN 0.383 nan 8.290 nan 0.000 0.515 563 I N 1.079 121.645 120.570 -0.006 0.000 2.352 563 I HA 0.362 4.532 4.170 0.000 0.000 0.290 563 I C 1.284 177.515 176.117 0.191 0.000 1.036 563 I CA -0.448 60.767 61.300 -0.142 0.000 1.336 563 I CB 0.186 38.035 38.000 -0.252 0.000 1.407 563 I HN 0.143 nan 8.210 nan 0.000 0.497 564 F N 2.873 122.724 119.950 -0.164 0.000 2.383 564 F HA 0.094 4.621 4.527 -0.000 0.000 0.287 564 F C 1.146 176.841 175.800 -0.175 0.000 1.069 564 F CA -0.081 57.799 58.000 -0.199 0.000 1.402 564 F CB 0.593 39.472 39.000 -0.201 0.000 1.116 564 F HN 0.367 nan 8.300 nan 0.000 0.549 565 E N 1.634 121.918 120.200 0.141 0.000 1.936 565 E HA 0.049 4.399 4.350 0.000 0.000 0.267 565 E C 0.876 177.567 176.600 0.153 0.000 1.076 565 E CA 0.062 56.567 56.400 0.174 0.000 0.870 565 E CB 0.833 30.655 29.700 0.204 0.000 1.093 565 E HN 0.273 nan 8.360 nan 0.000 0.411 566 T N -1.282 113.326 114.554 0.090 0.000 3.113 566 T HA -0.059 4.291 4.350 0.000 0.000 0.263 566 T C 0.683 175.365 174.700 -0.030 0.000 1.143 566 T CA 0.524 62.643 62.100 0.032 0.000 1.090 566 T CB -0.019 68.829 68.868 -0.032 0.000 0.922 566 T HN 0.276 nan 8.240 nan 0.000 0.521 567 H N 0.499 119.657 119.070 0.148 0.000 2.690 567 H HA 0.312 4.868 4.556 -0.000 0.000 0.289 567 H C 0.752 176.145 175.328 0.108 0.000 1.089 567 H CA -0.975 55.145 56.048 0.120 0.000 1.299 567 H CB 0.803 30.621 29.762 0.093 0.000 1.405 567 H HN 0.268 nan 8.280 nan 0.000 0.463 568 C N 2.542 121.946 119.300 0.174 0.000 2.422 568 C HA -0.150 4.310 4.460 0.000 0.000 0.286 568 C C 2.193 177.201 174.990 0.030 0.000 1.412 568 C CA 0.879 59.939 59.018 0.070 0.000 1.786 568 C CB -1.076 26.651 27.740 -0.021 0.000 1.835 568 C HN 0.805 nan 8.230 nan 0.000 0.533 569 N N 1.331 120.077 118.700 0.077 0.000 2.453 569 N HA -0.120 4.620 4.740 0.000 0.000 0.183 569 N C 1.234 176.758 175.510 0.022 0.000 1.041 569 N CA 1.014 54.084 53.050 0.033 0.000 0.900 569 N CB -0.564 37.946 38.487 0.039 0.000 0.961 569 N HN 0.472 nan 8.380 nan 0.000 0.443 570 K N -0.677 119.757 120.400 0.056 0.000 2.296 570 K HA 0.143 4.463 4.320 0.000 0.000 0.200 570 K C 1.428 178.035 176.600 0.011 0.000 1.048 570 K CA 0.681 56.995 56.287 0.045 0.000 0.966 570 K CB 0.019 32.575 32.500 0.093 0.000 0.754 570 K HN 0.220 nan 8.250 nan 0.000 0.466 571 M N 0.195 119.787 119.600 -0.014 0.000 2.325 571 M HA 0.007 4.487 4.480 0.000 0.000 0.265 571 M C 0.396 176.631 176.300 -0.108 0.000 1.094 571 M CA 0.892 56.146 55.300 -0.077 0.000 1.161 571 M CB -0.490 32.010 32.600 -0.167 0.000 1.358 571 M HN -0.035 nan 8.290 nan 0.000 0.446 572 N N 0.109 118.746 118.700 -0.106 0.000 2.558 572 N HA 0.259 4.999 4.740 0.000 0.000 0.285 572 N C -2.459 173.014 175.510 -0.061 0.000 1.112 572 N CA -1.599 51.391 53.050 -0.100 0.000 0.857 572 N CB 1.882 40.283 38.487 -0.143 0.000 1.376 572 N HN -0.253 nan 8.380 nan 0.000 0.526 573 P HA -0.132 nan 4.420 nan 0.000 0.217 573 P C 0.602 177.888 177.300 -0.023 0.000 1.148 573 P CA 1.396 64.479 63.100 -0.028 0.000 0.834 573 P CB 0.316 31.999 31.700 -0.028 0.000 0.783 574 A N -1.959 120.841 122.820 -0.033 0.000 2.208 574 A HA -0.023 4.298 4.320 0.000 0.000 0.209 574 A C 1.203 178.774 177.584 -0.022 0.000 1.161 574 A CA 0.323 52.344 52.037 -0.026 0.000 0.782 574 A CB -0.792 18.188 19.000 -0.033 0.000 0.816 574 A HN 0.107 nan 8.150 nan 0.000 0.477 575 N N 1.277 119.959 118.700 -0.030 0.000 2.485 575 N HA 0.121 4.862 4.740 0.000 0.000 0.243 575 N C -0.674 174.842 175.510 0.010 0.000 0.987 575 N CA -0.300 52.736 53.050 -0.023 0.000 0.940 575 N CB 0.335 38.779 38.487 -0.072 0.000 1.122 575 N HN 0.165 nan 8.380 nan 0.000 0.509 576 N N 0.951 119.672 118.700 0.035 0.000 2.276 576 N HA -0.031 4.709 4.740 0.000 0.000 0.212 576 N C 0.036 175.604 175.510 0.097 0.000 1.127 576 N CA -0.018 53.073 53.050 0.068 0.000 0.834 576 N CB 0.370 38.893 38.487 0.060 0.000 1.014 576 N HN 0.366 nan 8.380 nan 0.000 0.491 577 S N 0.638 116.387 115.700 0.082 0.000 2.585 577 S HA 0.113 4.583 4.470 0.000 0.000 0.273 577 S C -0.075 174.595 174.600 0.116 0.000 1.339 577 S CA -0.128 58.131 58.200 0.097 0.000 1.028 577 S CB 1.063 64.309 63.200 0.077 0.000 0.906 577 S HN 0.275 nan 8.310 nan 0.000 0.528 578 Q N 3.148 123.025 119.800 0.128 0.000 2.304 578 Q HA 0.438 4.778 4.340 0.000 0.000 0.270 578 Q C -1.462 174.609 176.000 0.119 0.000 1.035 578 Q CA -0.808 55.059 55.803 0.108 0.000 0.781 578 Q CB 1.616 30.432 28.738 0.131 0.000 1.261 578 Q HN 0.581 nan 8.270 nan 0.000 0.444 579 V N 4.550 124.523 119.914 0.099 0.000 2.540 579 V HA 0.060 4.180 4.120 0.000 0.000 0.297 579 V C 0.604 176.763 176.094 0.108 0.000 1.024 579 V CA 0.385 62.745 62.300 0.099 0.000 1.105 579 V CB 0.376 32.262 31.823 0.104 0.000 0.938 579 V HN 0.683 nan 8.190 nan 0.000 0.482 580 R N 3.673 124.159 120.500 -0.022 0.000 3.710 580 R HA 0.393 4.733 4.340 0.000 0.000 0.201 580 R C 0.100 176.336 176.300 -0.106 0.000 1.641 580 R CA 0.143 56.090 56.100 -0.256 0.000 1.390 580 R CB 0.242 30.101 30.300 -0.735 0.000 1.341 580 R HN 0.713 nan 8.270 nan 0.000 0.728 581 S N 0.037 115.826 115.700 0.149 0.000 2.595 581 S HA 0.281 4.751 4.470 0.000 0.000 0.270 581 S C -0.494 174.221 174.600 0.192 0.000 1.145 581 S CA -0.693 57.597 58.200 0.151 0.000 0.825 581 S CB 1.626 64.884 63.200 0.097 0.000 1.107 581 S HN 0.424 nan 8.310 nan 0.000 0.461 582 T N 0.789 115.437 114.554 0.156 0.000 2.912 582 T HA 0.575 4.925 4.350 0.000 0.000 0.280 582 T C 1.661 176.392 174.700 0.052 0.000 0.989 582 T CA -0.815 61.354 62.100 0.114 0.000 0.995 582 T CB 0.526 69.465 68.868 0.118 0.000 1.077 582 T HN 0.539 nan 8.240 nan 0.000 0.531 583 I N 0.869 121.424 120.570 -0.026 0.000 2.226 583 I HA -0.131 4.039 4.170 0.000 0.000 0.245 583 I C 2.976 179.021 176.117 -0.119 0.000 1.100 583 I CA 1.552 62.747 61.300 -0.174 0.000 1.374 583 I CB -0.738 36.953 38.000 -0.515 0.000 1.057 583 I HN 0.890 nan 8.210 nan 0.000 0.413 584 A N 0.496 123.284 122.820 -0.053 0.000 1.933 584 A HA -0.232 4.088 4.320 0.000 0.000 0.218 584 A C 2.447 180.033 177.584 0.004 0.000 1.175 584 A CA 1.379 53.409 52.037 -0.012 0.000 0.628 584 A CB -0.553 18.498 19.000 0.085 0.000 0.814 584 A HN 0.284 nan 8.150 nan 0.000 0.444 585 R N -0.722 119.795 120.500 0.029 0.000 2.115 585 R HA -0.091 4.249 4.340 0.000 0.000 0.226 585 R C 1.951 178.281 176.300 0.049 0.000 1.100 585 R CA 1.227 57.337 56.100 0.018 0.000 0.980 585 R CB -0.280 30.040 30.300 0.033 0.000 0.875 585 R HN 0.532 nan 8.270 nan 0.000 0.445 586 Q N 0.611 120.474 119.800 0.106 0.000 2.124 586 Q HA -0.110 4.230 4.340 0.000 0.000 0.202 586 Q C 2.279 178.450 176.000 0.284 0.000 0.977 586 Q CA 1.112 57.030 55.803 0.192 0.000 0.850 586 Q CB -0.207 28.708 28.738 0.294 0.000 0.901 586 Q HN 0.391 nan 8.270 nan 0.000 0.429 587 L N -0.095 121.270 121.223 0.238 0.000 2.056 587 L HA -0.136 4.204 4.340 0.000 0.000 0.207 587 L C 2.447 179.435 176.870 0.197 0.000 1.078 587 L CA 1.039 56.030 54.840 0.251 0.000 0.749 587 L CB -0.721 41.260 42.059 -0.131 0.000 0.901 587 L HN 0.100 nan 8.230 nan 0.000 0.433 588 A N 0.325 123.150 122.820 0.007 0.000 1.978 588 A HA -0.163 4.157 4.320 0.000 0.000 0.220 588 A C 2.235 179.847 177.584 0.047 0.000 1.170 588 A CA 1.311 53.331 52.037 -0.028 0.000 0.636 588 A CB -0.717 18.211 19.000 -0.119 0.000 0.810 588 A HN 0.395 nan 8.150 nan 0.000 0.448 589 L N -2.013 119.224 121.223 0.023 0.000 2.261 589 L HA -0.212 4.128 4.340 0.000 0.000 0.216 589 L C 2.116 178.913 176.870 -0.122 0.000 1.114 589 L CA 1.072 55.854 54.840 -0.097 0.000 0.777 589 L CB -0.675 41.287 42.059 -0.162 0.000 0.910 589 L HN 0.483 nan 8.230 nan 0.000 0.440 590 Y N -1.203 119.178 120.300 0.134 0.000 2.574 590 Y HA -0.111 4.440 4.550 0.000 0.000 0.294 590 Y C 2.116 178.118 175.900 0.171 0.000 1.142 590 Y CA 0.522 58.713 58.100 0.152 0.000 1.314 590 Y CB -0.095 38.474 38.460 0.182 0.000 0.991 590 Y HN -0.054 nan 8.280 nan 0.000 0.555 591 V N -2.012 118.041 119.914 0.232 0.000 3.151 591 V HA -0.087 4.033 4.120 0.000 0.000 0.241 591 V C 2.087 178.164 176.094 -0.028 0.000 1.173 591 V CA 1.510 63.866 62.300 0.092 0.000 1.154 591 V CB -0.169 31.727 31.823 0.122 0.000 0.898 591 V HN 0.422 nan 8.190 nan 0.000 0.473 592 T N -2.776 111.754 114.554 -0.040 0.000 3.081 592 T HA 0.135 4.485 4.350 0.000 0.000 0.255 592 T C 0.820 175.453 174.700 -0.112 0.000 1.113 592 T CA 0.507 62.550 62.100 -0.094 0.000 1.082 592 T CB -0.051 68.743 68.868 -0.123 0.000 0.939 592 T HN 0.114 nan 8.240 nan 0.000 0.506 593 M N 2.382 121.918 119.600 -0.106 0.000 2.325 593 M HA 0.355 4.835 4.480 0.000 0.000 0.305 593 M C -0.907 175.367 176.300 -0.042 0.000 1.047 593 M CA -1.790 53.429 55.300 -0.135 0.000 0.981 593 M CB -0.016 32.435 32.600 -0.248 0.000 1.307 593 M HN 0.360 nan 8.290 nan 0.000 0.418 594 Y N 1.773 122.044 120.300 -0.047 0.000 2.712 594 Y HA 0.205 4.755 4.550 -0.000 0.000 0.333 594 Y C 0.156 176.100 175.900 0.072 0.000 1.225 594 Y CA 1.179 59.305 58.100 0.043 0.000 1.499 594 Y CB 0.537 39.027 38.460 0.050 0.000 1.288 594 Y HN 0.682 nan 8.280 nan 0.000 0.575 595 S N 6.558 121.590 115.700 -1.112 0.000 2.604 595 S HA 0.248 4.718 4.470 0.000 0.000 0.296 595 S C -2.569 171.624 174.600 -0.678 0.000 1.097 595 S CA -0.841 56.822 58.200 -0.895 0.000 0.883 595 S CB 1.526 64.512 63.200 -0.356 0.000 1.081 595 S HN 0.560 nan 8.310 nan 0.000 0.448 596 P HA 0.196 nan 4.420 nan 0.000 0.245 596 P C 0.014 177.090 177.300 -0.374 0.000 1.206 596 P CA 0.121 62.926 63.100 -0.491 0.000 0.781 596 P CB 0.038 31.231 31.700 -0.845 0.000 0.994 597 L N 1.048 122.087 121.223 -0.306 0.000 2.318 597 L HA 0.431 4.771 4.340 0.000 0.000 0.277 597 L C -0.873 176.015 176.870 0.029 0.000 1.008 597 L CA -0.265 54.504 54.840 -0.119 0.000 0.846 597 L CB 1.198 43.176 42.059 -0.135 0.000 1.220 597 L HN -0.235 nan 8.230 nan 0.000 0.423 598 Q N 5.820 125.700 119.800 0.133 0.000 2.325 598 Q HA 0.413 4.753 4.340 0.000 0.000 0.270 598 Q C -1.036 175.048 176.000 0.140 0.000 1.020 598 Q CA -0.286 55.605 55.803 0.146 0.000 0.785 598 Q CB 2.844 31.694 28.738 0.187 0.000 1.259 598 Q HN 0.741 nan 8.270 nan 0.000 0.452 599 M N 1.321 120.854 119.600 -0.111 0.000 2.423 599 M HA 0.639 5.119 4.480 0.000 0.000 0.335 599 M C -0.975 175.292 176.300 -0.055 0.000 1.177 599 M CA -0.584 54.387 55.300 -0.549 0.000 1.038 599 M CB 1.537 33.524 32.600 -1.022 0.000 1.641 599 M HN 0.675 nan 8.290 nan 0.000 0.455 600 A N 3.221 126.025 122.820 -0.027 0.000 2.511 600 A HA 0.644 4.964 4.320 0.000 0.000 0.340 600 A C 0.517 178.147 177.584 0.078 0.000 1.396 600 A CA -0.328 51.810 52.037 0.168 0.000 0.887 600 A CB 0.064 19.140 19.000 0.126 0.000 1.145 600 A HN 1.028 nan 8.150 nan 0.000 0.497 601 A N 1.618 124.443 122.820 0.008 0.000 2.066 601 A HA 0.032 4.352 4.320 0.000 0.000 0.218 601 A C 1.052 178.523 177.584 -0.188 0.000 1.157 601 A CA 0.862 52.860 52.037 -0.065 0.000 0.670 601 A CB -0.180 18.761 19.000 -0.098 0.000 0.804 601 A HN 0.676 nan 8.150 nan 0.000 0.453 602 D N -0.140 120.046 120.400 -0.357 0.000 2.384 602 D HA 0.323 4.963 4.640 0.000 0.000 0.244 602 D C 0.522 176.526 176.300 -0.494 0.000 1.251 602 D CA -0.321 53.257 54.000 -0.704 0.000 0.961 602 D CB 0.497 40.592 40.800 -1.176 0.000 1.116 602 D HN 0.397 nan 8.370 nan 0.000 0.484 603 I N -1.879 118.444 120.570 -0.413 0.000 2.581 603 I HA 0.259 4.429 4.170 0.000 0.000 0.288 603 I C -1.861 173.887 176.117 -0.615 0.000 1.047 603 I CA -1.673 59.426 61.300 -0.334 0.000 1.374 603 I CB 0.940 38.850 38.000 -0.150 0.000 1.423 603 I HN 0.114 nan 8.210 nan 0.000 0.549 604 P HA -0.274 nan 4.420 nan 0.000 0.217 604 P C 1.274 178.137 177.300 -0.729 0.000 1.162 604 P CA 2.238 64.595 63.100 -1.238 0.000 0.901 604 P CB -0.069 30.805 31.700 -1.377 0.000 0.793 605 E N -1.189 118.736 120.200 -0.459 0.000 2.204 605 E HA -0.220 4.130 4.350 0.000 0.000 0.195 605 E C 1.510 178.001 176.600 -0.182 0.000 0.990 605 E CA 1.155 57.407 56.400 -0.246 0.000 0.821 605 E CB -0.922 28.676 29.700 -0.169 0.000 0.750 605 E HN 0.218 nan 8.360 nan 0.000 0.477 606 N N 0.159 118.714 118.700 -0.242 0.000 2.216 606 N HA -0.091 4.649 4.740 0.000 0.000 0.183 606 N C 1.420 176.926 175.510 -0.007 0.000 1.017 606 N CA 0.971 53.952 53.050 -0.116 0.000 0.861 606 N CB -0.363 38.013 38.487 -0.185 0.000 0.986 606 N HN 0.271 nan 8.380 nan 0.000 0.428 607 Y N 1.684 121.874 120.300 -0.182 0.000 2.242 607 Y HA -0.011 4.539 4.550 -0.000 0.000 0.291 607 Y C 1.990 177.853 175.900 -0.062 0.000 1.137 607 Y CA 0.665 58.621 58.100 -0.240 0.000 1.181 607 Y CB -0.406 37.511 38.460 -0.905 0.000 0.989 607 Y HN 0.163 nan 8.280 nan 0.000 0.527 608 E N -0.254 119.977 120.200 0.052 0.000 2.472 608 E HA -0.173 4.177 4.350 0.000 0.000 0.200 608 E C 2.005 178.630 176.600 0.042 0.000 1.046 608 E CA 0.321 56.773 56.400 0.088 0.000 0.871 608 E CB -0.050 29.691 29.700 0.067 0.000 0.806 608 E HN 0.349 nan 8.360 nan 0.000 0.533 609 R N -0.249 120.245 120.500 -0.010 0.000 2.280 609 R HA 0.048 4.388 4.340 0.000 0.000 0.195 609 R C -0.048 175.935 176.300 -0.527 0.000 0.935 609 R CA 0.365 56.293 56.100 -0.288 0.000 1.033 609 R CB 0.458 30.508 30.300 -0.416 0.000 0.964 609 R HN 0.019 nan 8.270 nan 0.000 0.489 610 F N -0.338 119.777 119.950 0.275 0.000 2.619 610 F HA 0.269 4.796 4.527 0.000 0.000 0.382 610 F C 0.737 176.775 175.800 0.397 0.000 1.466 610 F CA -0.561 57.640 58.000 0.335 0.000 1.137 610 F CB 0.986 40.168 39.000 0.303 0.000 1.205 610 F HN -0.147 nan 8.300 nan 0.000 0.525 611 M N 0.443 120.289 119.600 0.411 0.000 2.267 611 M HA -0.159 4.321 4.480 0.000 0.000 0.263 611 M C 1.892 178.440 176.300 0.414 0.000 1.063 611 M CA 1.384 56.925 55.300 0.401 0.000 1.090 611 M CB -0.775 31.987 32.600 0.270 0.000 1.392 611 M HN 0.347 nan 8.290 nan 0.000 0.422 612 D N 0.027 120.660 120.400 0.389 0.000 2.144 612 D HA -0.086 4.554 4.640 0.000 0.000 0.200 612 D C 1.750 178.319 176.300 0.448 0.000 0.978 612 D CA 1.586 55.811 54.000 0.376 0.000 0.833 612 D CB -0.596 40.413 40.800 0.349 0.000 0.961 612 D HN 0.283 nan 8.370 nan 0.000 0.470 613 A N -0.015 123.039 122.820 0.391 0.000 1.970 613 A HA 0.046 4.366 4.320 0.000 0.000 0.216 613 A C 2.082 179.867 177.584 0.334 0.000 1.170 613 A CA 0.502 52.657 52.037 0.196 0.000 0.645 613 A CB -1.257 17.447 19.000 -0.493 0.000 0.816 613 A HN 0.261 nan 8.150 nan 0.000 0.447 614 F N 0.455 120.623 119.950 0.363 0.000 2.250 614 F HA -0.249 4.278 4.527 -0.000 0.000 0.301 614 F C 2.368 178.190 175.800 0.038 0.000 1.077 614 F CA 1.662 59.805 58.000 0.239 0.000 1.348 614 F CB 0.079 39.180 39.000 0.169 0.000 1.040 614 F HN 0.315 nan 8.300 nan 0.000 0.509 615 Q N 0.283 120.146 119.800 0.104 0.000 2.152 615 Q HA -0.290 4.050 4.340 0.000 0.000 0.206 615 Q C 1.912 177.816 176.000 -0.160 0.000 0.985 615 Q CA 2.184 57.983 55.803 -0.007 0.000 0.863 615 Q CB -0.802 28.075 28.738 0.231 0.000 0.904 615 Q HN 0.591 nan 8.270 nan 0.000 0.422 616 F N -0.371 119.336 119.950 -0.405 0.000 2.146 616 F HA -0.099 4.428 4.527 -0.000 0.000 0.298 616 F C 1.648 177.149 175.800 -0.499 0.000 1.096 616 F CA 1.257 58.944 58.000 -0.522 0.000 1.275 616 F CB -0.041 38.381 39.000 -0.964 0.000 1.008 616 F HN 0.091 nan 8.300 nan 0.000 0.480 617 I N 0.212 120.429 120.570 -0.589 0.000 2.286 617 I HA -0.297 3.873 4.170 0.000 0.000 0.248 617 I C 2.190 177.718 176.117 -0.982 0.000 1.115 617 I CA 1.360 62.104 61.300 -0.927 0.000 1.392 617 I CB -0.504 36.932 38.000 -0.940 0.000 1.065 617 I HN 0.121 nan 8.210 nan 0.000 0.418 618 K N 0.492 120.325 120.400 -0.946 0.000 2.097 618 K HA -0.154 4.166 4.320 0.000 0.000 0.205 618 K C 1.582 177.817 176.600 -0.607 0.000 1.050 618 K CA 1.384 57.189 56.287 -0.803 0.000 0.938 618 K CB -0.092 32.057 32.500 -0.586 0.000 0.718 618 K HN 0.252 nan 8.250 nan 0.000 0.442 619 D N 0.548 120.636 120.400 -0.521 0.000 2.162 619 D HA -0.060 4.580 4.640 0.000 0.000 0.203 619 D C 0.568 176.516 176.300 -0.587 0.000 0.967 619 D CA 0.292 54.064 54.000 -0.380 0.000 0.840 619 D CB -0.223 40.495 40.800 -0.136 0.000 0.972 619 D HN -0.122 nan 8.370 nan 0.000 0.482 620 V N 1.024 120.379 119.914 -0.932 0.000 2.720 620 V HA 0.198 4.318 4.120 0.000 0.000 0.307 620 V C 0.428 176.003 176.094 -0.866 0.000 1.071 620 V CA -0.270 61.319 62.300 -1.186 0.000 1.199 620 V CB 0.531 31.764 31.823 -0.983 0.000 0.900 620 V HN 0.196 nan 8.190 nan 0.000 0.494 621 A N 5.975 128.212 122.820 -0.971 0.000 2.259 621 A HA 0.629 4.949 4.320 0.000 0.000 0.278 621 A C 0.601 177.736 177.584 -0.748 0.000 1.107 621 A CA -0.250 51.288 52.037 -0.831 0.000 0.828 621 A CB 0.576 18.971 19.000 -1.008 0.000 1.111 621 A HN 0.946 nan 8.150 nan 0.000 0.498 622 L N -1.422 119.342 121.223 -0.764 0.000 2.840 622 L HA 0.301 4.641 4.340 0.000 0.000 0.249 622 L C -0.195 176.287 176.870 -0.646 0.000 1.119 622 L CA 0.160 54.696 54.840 -0.507 0.000 0.930 622 L CB 0.358 42.223 42.059 -0.322 0.000 1.295 622 L HN 0.609 nan 8.230 nan 0.000 0.534 623 D N -0.920 118.881 120.400 -1.000 0.000 2.671 623 D HA 0.433 5.073 4.640 0.000 0.000 0.232 623 D C -1.740 173.941 176.300 -1.033 0.000 1.114 623 D CA -0.200 53.372 54.000 -0.713 0.000 0.858 623 D CB 1.765 42.386 40.800 -0.298 0.000 1.544 623 D HN -0.150 nan 8.370 nan 0.000 0.471 624 W N 1.389 122.691 121.300 0.003 0.000 2.936 624 W HA 0.372 5.032 4.660 -0.000 0.000 0.338 624 W C 0.598 177.039 176.519 -0.131 0.000 1.121 624 W CA -0.628 56.663 57.345 -0.090 0.000 1.209 624 W CB 1.297 30.689 29.460 -0.113 0.000 1.420 624 W HN 0.173 nan 8.180 nan 0.000 0.516 625 D N 0.546 120.977 120.400 0.052 0.000 2.301 625 D HA 0.053 4.693 4.640 0.000 0.000 0.206 625 D C -0.196 176.060 176.300 -0.075 0.000 0.979 625 D CA 1.068 55.041 54.000 -0.043 0.000 0.874 625 D CB 0.650 41.402 40.800 -0.080 0.000 0.968 625 D HN 0.477 nan 8.370 nan 0.000 0.510 626 E N -1.137 118.995 120.200 -0.114 0.000 2.392 626 E HA 0.432 4.782 4.350 0.000 0.000 0.279 626 E C -1.180 175.284 176.600 -0.227 0.000 0.964 626 E CA -0.553 55.754 56.400 -0.154 0.000 0.777 626 E CB 2.499 32.115 29.700 -0.140 0.000 1.249 626 E HN -0.262 nan 8.360 nan 0.000 0.449 627 T N 1.698 116.104 114.554 -0.247 0.000 2.921 627 T HA 0.351 4.701 4.350 0.000 0.000 0.297 627 T C -1.220 173.203 174.700 -0.463 0.000 1.013 627 T CA -0.791 61.047 62.100 -0.437 0.000 0.990 627 T CB 1.009 69.508 68.868 -0.614 0.000 1.023 627 T HN 0.285 nan 8.240 nan 0.000 0.447 628 N N 2.420 120.831 118.700 -0.482 0.000 2.442 628 N HA 0.263 5.003 4.740 0.000 0.000 0.274 628 N C -1.512 173.696 175.510 -0.504 0.000 1.002 628 N CA -0.481 52.322 53.050 -0.412 0.000 0.910 628 N CB 0.821 39.095 38.487 -0.355 0.000 1.244 628 N HN 0.497 nan 8.380 nan 0.000 0.492 629 Y N 4.356 124.558 120.300 -0.163 0.000 2.613 629 Y HA 0.189 4.739 4.550 0.000 0.000 0.354 629 Y C 1.690 177.519 175.900 -0.119 0.000 1.063 629 Y CA -0.332 57.671 58.100 -0.162 0.000 1.384 629 Y CB 0.583 38.937 38.460 -0.178 0.000 1.199 629 Y HN 0.420 nan 8.280 nan 0.000 0.517 630 L N 1.497 122.703 121.223 -0.028 0.000 2.044 630 L HA -0.027 4.313 4.340 0.000 0.000 0.205 630 L C 0.337 177.237 176.870 0.050 0.000 1.075 630 L CA 1.354 56.187 54.840 -0.012 0.000 0.747 630 L CB -0.045 41.992 42.059 -0.037 0.000 0.903 630 L HN 0.511 nan 8.230 nan 0.000 0.435 631 E N -1.205 119.044 120.200 0.082 0.000 2.356 631 E HA 0.710 5.060 4.350 0.000 0.000 0.275 631 E C -1.242 175.452 176.600 0.156 0.000 0.904 631 E CA -0.591 55.906 56.400 0.162 0.000 0.757 631 E CB 2.607 32.426 29.700 0.197 0.000 1.232 631 E HN 0.094 nan 8.360 nan 0.000 0.442 632 A N 2.272 125.170 122.820 0.130 0.000 2.500 632 A HA 0.548 4.868 4.320 0.000 0.000 0.291 632 A C -1.601 175.818 177.584 -0.274 0.000 1.048 632 A CA -0.574 51.439 52.037 -0.039 0.000 0.791 632 A CB 1.660 20.649 19.000 -0.017 0.000 1.309 632 A HN 0.503 nan 8.150 nan 0.000 0.397 633 E N 3.211 123.036 120.200 -0.625 0.000 2.361 633 E HA 0.487 4.837 4.350 0.000 0.000 0.270 633 E C -2.961 173.177 176.600 -0.770 0.000 0.911 633 E CA -1.758 54.181 56.400 -0.769 0.000 0.818 633 E CB 2.425 31.504 29.700 -1.035 0.000 1.332 633 E HN 0.383 nan 8.360 nan 0.000 0.402 634 P HA 0.089 nan 4.420 nan 0.000 0.262 634 P C 0.774 177.614 177.300 -0.766 0.000 1.182 634 P CA 1.469 63.776 63.100 -1.321 0.000 0.761 634 P CB 0.842 31.212 31.700 -2.218 0.000 0.795 635 G N 2.996 111.474 108.800 -0.536 0.000 2.205 635 G HA2 -0.234 3.726 3.960 0.000 0.000 0.261 635 G HA3 -0.234 3.726 3.960 0.000 0.000 0.261 635 G C 0.781 175.613 174.900 -0.113 0.000 0.980 635 G CA 0.214 45.147 45.100 -0.280 0.000 0.632 635 G HN 0.543 nan 8.290 nan 0.000 0.533 636 E N -1.559 118.518 120.200 -0.205 0.000 2.520 636 E HA 0.316 4.666 4.350 0.000 0.000 0.201 636 E C 0.560 177.136 176.600 -0.041 0.000 0.894 636 E CA 1.384 57.728 56.400 -0.092 0.000 1.161 636 E CB 0.610 30.231 29.700 -0.131 0.000 1.137 636 E HN 0.957 nan 8.360 nan 0.000 0.510 637 Y N -1.334 118.867 120.300 -0.165 0.000 2.620 637 Y HA 0.641 5.191 4.550 0.000 0.000 0.331 637 Y C -1.272 174.506 175.900 -0.204 0.000 1.173 637 Y CA -1.217 56.734 58.100 -0.248 0.000 1.076 637 Y CB 0.856 38.964 38.460 -0.587 0.000 1.336 637 Y HN -0.188 nan 8.280 nan 0.000 0.459 638 I N 2.377 122.948 120.570 0.000 0.000 2.548 638 I HA 0.478 4.648 4.170 0.000 0.000 0.287 638 I C -1.248 174.846 176.117 -0.038 0.000 1.103 638 I CA -0.690 60.591 61.300 -0.030 0.000 1.049 638 I CB 2.721 40.654 38.000 -0.111 0.000 1.232 638 I HN 0.792 nan 8.210 nan 0.000 0.429 639 T N 6.859 121.413 114.554 -0.001 0.000 2.840 639 T HA 0.677 5.027 4.350 0.000 0.000 0.287 639 T C -0.405 174.273 174.700 -0.037 0.000 0.991 639 T CA -0.347 61.737 62.100 -0.027 0.000 0.964 639 T CB 1.279 70.173 68.868 0.042 0.000 0.954 639 T HN 0.265 nan 8.240 nan 0.000 0.438 640 I N 2.017 122.537 120.570 -0.083 0.000 2.647 640 I HA 0.757 4.927 4.170 0.000 0.000 0.295 640 I C -0.357 175.654 176.117 -0.176 0.000 1.078 640 I CA -1.313 59.884 61.300 -0.171 0.000 1.048 640 I CB 2.097 39.965 38.000 -0.219 0.000 1.239 640 I HN 0.665 nan 8.210 nan 0.000 0.421 641 A N 6.028 128.680 122.820 -0.279 0.000 2.330 641 A HA 0.860 5.180 4.320 0.000 0.000 0.313 641 A C -0.675 176.797 177.584 -0.187 0.000 1.124 641 A CA -0.615 51.299 52.037 -0.205 0.000 0.774 641 A CB 1.046 19.703 19.000 -0.572 0.000 1.198 641 A HN 0.788 nan 8.150 nan 0.000 0.465 642 R N 1.227 121.640 120.500 -0.145 0.000 2.750 642 R HA 0.503 4.843 4.340 0.000 0.000 0.281 642 R C -0.818 175.323 176.300 -0.266 0.000 0.972 642 R CA -0.834 55.014 56.100 -0.420 0.000 0.912 642 R CB 2.631 32.146 30.300 -1.308 0.000 1.187 642 R HN 0.684 nan 8.270 nan 0.000 0.464 643 K N 1.763 121.807 120.400 -0.594 0.000 2.263 643 K HA 0.383 4.703 4.320 0.000 0.000 0.272 643 K C -0.536 176.069 176.600 0.009 0.000 1.033 643 K CA -0.335 55.453 56.287 -0.832 0.000 0.884 643 K CB 1.371 32.987 32.500 -1.474 0.000 1.107 643 K HN 0.761 nan 8.250 nan 0.000 0.460 644 A N 4.535 127.478 122.820 0.204 0.000 2.546 644 A HA -0.012 4.308 4.320 0.000 0.000 0.243 644 A C 0.023 177.554 177.584 -0.089 0.000 1.063 644 A CA 0.135 52.203 52.037 0.051 0.000 0.757 644 A CB 0.012 19.051 19.000 0.065 0.000 0.991 644 A HN 0.871 nan 8.150 nan 0.000 0.503 645 K N 2.170 122.466 120.400 -0.174 0.000 2.511 645 K HA 0.008 4.328 4.320 0.000 0.000 0.280 645 K C -0.426 176.110 176.600 -0.107 0.000 1.008 645 K CA 0.764 56.973 56.287 -0.131 0.000 1.050 645 K CB 0.046 32.455 32.500 -0.152 0.000 0.889 645 K HN 0.766 nan 8.250 nan 0.000 0.484 646 D N 1.095 121.450 120.400 -0.075 0.000 2.945 646 D HA -0.167 4.473 4.640 0.000 0.000 0.225 646 D C -0.295 175.980 176.300 -0.041 0.000 1.158 646 D CA 1.814 55.782 54.000 -0.055 0.000 0.805 646 D CB -1.329 39.436 40.800 -0.059 0.000 1.098 646 D HN 0.811 nan 8.370 nan 0.000 0.426 647 T N -4.356 110.175 114.554 -0.038 0.000 2.778 647 T HA 0.523 4.873 4.350 0.000 0.000 0.293 647 T C -0.261 174.445 174.700 0.010 0.000 1.144 647 T CA -0.774 61.322 62.100 -0.006 0.000 1.010 647 T CB 2.312 71.186 68.868 0.010 0.000 1.325 647 T HN -0.233 nan 8.240 nan 0.000 0.515 648 D N 0.708 121.150 120.400 0.069 0.000 2.462 648 D HA 0.215 4.855 4.640 0.000 0.000 0.221 648 D C -0.762 175.707 176.300 0.282 0.000 1.173 648 D CA -0.154 53.945 54.000 0.165 0.000 0.831 648 D CB 0.440 41.345 40.800 0.175 0.000 1.001 648 D HN 0.477 nan 8.370 nan 0.000 0.499 649 D N 0.193 120.685 120.400 0.153 0.000 2.175 649 D HA 0.265 4.905 4.640 0.000 0.000 0.248 649 D C -0.107 176.239 176.300 0.076 0.000 1.047 649 D CA -0.145 53.967 54.000 0.186 0.000 0.883 649 D CB 1.254 42.140 40.800 0.143 0.000 1.180 649 D HN -0.048 nan 8.370 nan 0.000 0.438 650 W N 0.860 122.148 121.300 -0.021 0.000 2.706 650 W HA 0.448 5.108 4.660 -0.000 0.000 0.346 650 W C -0.708 175.669 176.519 -0.237 0.000 1.071 650 W CA -0.706 56.659 57.345 0.034 0.000 1.206 650 W CB 1.067 30.606 29.460 0.131 0.000 1.413 650 W HN 0.201 nan 8.180 nan 0.000 0.542 651 Y N 1.105 121.661 120.300 0.427 0.000 2.406 651 Y HA 0.625 5.175 4.550 -0.000 0.000 0.340 651 Y C -0.295 175.774 175.900 0.282 0.000 0.975 651 Y CA -1.200 57.127 58.100 0.379 0.000 1.056 651 Y CB 1.685 40.365 38.460 0.367 0.000 1.210 651 Y HN -0.010 nan 8.280 nan 0.000 0.448 652 V N 2.076 122.258 119.914 0.447 0.000 2.769 652 V HA 0.959 5.079 4.120 0.000 0.000 0.312 652 V C -0.078 176.170 176.094 0.256 0.000 1.061 652 V CA -0.759 61.726 62.300 0.309 0.000 0.931 652 V CB 1.997 34.051 31.823 0.385 0.000 1.010 652 V HN 0.910 nan 8.190 nan 0.000 0.433 653 G N 0.866 109.728 108.800 0.104 0.000 2.706 653 G HA2 0.581 4.541 3.960 0.000 0.000 0.297 653 G HA3 0.581 4.541 3.960 0.000 0.000 0.297 653 G C -1.625 173.148 174.900 -0.213 0.000 1.403 653 G CA -0.485 44.594 45.100 -0.034 0.000 0.954 653 G HN 0.936 nan 8.290 nan 0.000 0.500 654 C N 1.100 120.110 119.300 -0.484 0.000 2.535 654 C HA 0.891 5.351 4.460 0.000 0.000 0.319 654 C C -0.058 174.711 174.990 -0.370 0.000 1.171 654 C CA -0.289 58.392 59.018 -0.561 0.000 1.394 654 C CB 0.835 27.846 27.740 -1.216 0.000 1.990 654 C HN 0.922 nan 8.230 nan 0.000 0.466 655 T N 3.868 118.301 114.554 -0.202 0.000 2.824 655 T HA 0.797 5.147 4.350 0.000 0.000 0.282 655 T C -0.370 174.298 174.700 -0.053 0.000 0.993 655 T CA 0.123 62.152 62.100 -0.118 0.000 0.967 655 T CB 1.156 69.960 68.868 -0.108 0.000 0.960 655 T HN 1.416 nan 8.240 nan 0.000 0.441 656 A N 3.159 125.976 122.820 -0.005 0.000 2.386 656 A HA 0.944 5.264 4.320 0.000 0.000 0.308 656 A C 0.631 178.264 177.584 0.082 0.000 1.128 656 A CA -0.401 51.675 52.037 0.065 0.000 0.789 656 A CB 1.340 20.402 19.000 0.104 0.000 1.325 656 A HN 1.067 nan 8.150 nan 0.000 0.437 657 G N -0.844 108.031 108.800 0.125 0.000 2.531 657 G HA2 0.397 4.357 3.960 0.000 0.000 0.253 657 G HA3 0.397 4.357 3.960 0.000 0.000 0.253 657 G C 0.358 175.350 174.900 0.153 0.000 1.439 657 G CA 0.130 45.319 45.100 0.147 0.000 1.056 657 G HN 0.770 nan 8.290 nan 0.000 0.555 658 E N 0.251 120.552 120.200 0.167 0.000 2.265 658 E HA -0.102 4.248 4.350 0.000 0.000 0.196 658 E C 1.176 177.901 176.600 0.209 0.000 0.996 658 E CA 0.779 57.291 56.400 0.186 0.000 0.832 658 E CB 0.061 29.861 29.700 0.168 0.000 0.756 658 E HN 0.305 nan 8.360 nan 0.000 0.491 659 N N 0.190 119.010 118.700 0.200 0.000 2.230 659 N HA 0.091 4.831 4.740 0.000 0.000 0.202 659 N C 0.677 176.317 175.510 0.216 0.000 1.119 659 N CA 0.735 53.905 53.050 0.200 0.000 0.851 659 N CB 1.265 39.867 38.487 0.191 0.000 0.990 659 N HN 0.140 nan 8.380 nan 0.000 0.497 660 G N 1.064 109.981 108.800 0.196 0.000 2.697 660 G HA2 -0.269 3.691 3.960 0.000 0.000 0.240 660 G HA3 -0.269 3.691 3.960 0.000 0.000 0.240 660 G C -0.850 174.169 174.900 0.200 0.000 1.346 660 G CA -0.027 45.152 45.100 0.133 0.000 0.887 660 G HN 0.630 nan 8.290 nan 0.000 0.569 661 H N -1.559 117.470 119.070 -0.068 0.000 3.140 661 H HA 0.593 5.149 4.556 -0.000 0.000 0.336 661 H C -0.650 174.678 175.328 -0.000 0.000 1.142 661 H CA 0.337 56.368 56.048 -0.028 0.000 1.308 661 H CB 1.269 30.988 29.762 -0.072 0.000 1.970 661 H HN 0.728 nan 8.280 nan 0.000 0.521 662 T N 3.884 118.100 114.554 -0.562 0.000 2.758 662 T HA 0.486 4.836 4.350 0.000 0.000 0.285 662 T C -0.563 173.783 174.700 -0.590 0.000 0.981 662 T CA -0.571 61.351 62.100 -0.296 0.000 0.965 662 T CB 0.827 69.647 68.868 -0.082 0.000 0.927 662 T HN 0.506 nan 8.240 nan 0.000 0.448 663 S N 3.080 118.638 115.700 -0.238 0.000 2.475 663 S HA 0.417 4.887 4.470 0.000 0.000 0.298 663 S C -0.060 174.488 174.600 -0.087 0.000 1.119 663 S CA -0.993 57.140 58.200 -0.111 0.000 1.085 663 S CB 1.115 64.406 63.200 0.152 0.000 1.028 663 S HN 0.504 nan 8.310 nan 0.000 0.489 664 K N 2.841 123.192 120.400 -0.081 0.000 2.499 664 K HA 0.346 4.666 4.320 0.000 0.000 0.215 664 K C -0.885 175.650 176.600 -0.108 0.000 1.041 664 K CA -0.199 56.039 56.287 -0.083 0.000 1.031 664 K CB 0.441 32.901 32.500 -0.068 0.000 1.479 664 K HN 0.477 nan 8.250 nan 0.000 0.518 665 L N 2.075 123.201 121.223 -0.161 0.000 2.380 665 L HA 0.253 4.593 4.340 0.000 0.000 0.273 665 L C 0.004 176.619 176.870 -0.424 0.000 1.138 665 L CA -0.652 53.989 54.840 -0.332 0.000 0.832 665 L CB 0.867 42.621 42.059 -0.509 0.000 1.124 665 L HN 0.129 nan 8.230 nan 0.000 0.454 666 V N 3.762 123.402 119.914 -0.457 0.000 2.380 666 V HA 0.187 4.307 4.120 0.000 0.000 0.286 666 V C -0.116 175.670 176.094 -0.513 0.000 1.015 666 V CA -0.320 61.770 62.300 -0.350 0.000 0.834 666 V CB 1.179 32.901 31.823 -0.170 0.000 1.009 666 V HN 0.487 nan 8.190 nan 0.000 0.428 667 F N 2.779 122.515 119.950 -0.357 0.000 2.811 667 F HA 0.107 4.634 4.527 0.000 0.000 0.292 667 F C 1.700 176.997 175.800 -0.839 0.000 1.240 667 F CA -0.435 57.062 58.000 -0.838 0.000 1.422 667 F CB -0.317 38.242 39.000 -0.735 0.000 1.045 667 F HN 0.670 nan 8.300 nan 0.000 0.512 668 D N -0.526 119.640 120.400 -0.390 0.000 2.378 668 D HA -0.219 4.421 4.640 0.000 0.000 0.227 668 D C 1.440 177.600 176.300 -0.234 0.000 1.012 668 D CA 0.355 54.210 54.000 -0.241 0.000 0.905 668 D CB -0.999 39.735 40.800 -0.110 0.000 0.895 668 D HN 0.440 nan 8.370 nan 0.000 0.532 669 F N -0.510 119.283 119.950 -0.262 0.000 2.789 669 F HA 0.320 4.847 4.527 -0.000 0.000 0.300 669 F C 0.677 176.189 175.800 -0.479 0.000 1.132 669 F CA -0.902 56.877 58.000 -0.368 0.000 1.404 669 F CB -0.615 38.059 39.000 -0.542 0.000 1.114 669 F HN -0.213 nan 8.300 nan 0.000 0.584 670 L N 1.015 121.823 121.223 -0.692 0.000 2.466 670 L HA 0.250 4.590 4.340 0.000 0.000 0.257 670 L C 0.655 177.498 176.870 -0.045 0.000 1.189 670 L CA -0.604 53.945 54.840 -0.486 0.000 0.813 670 L CB 0.549 42.186 42.059 -0.703 0.000 1.118 670 L HN -0.032 nan 8.230 nan 0.000 0.471 671 T N 1.945 116.629 114.554 0.217 0.000 2.870 671 T HA 0.181 4.531 4.350 0.000 0.000 0.300 671 T C -2.280 172.505 174.700 0.142 0.000 0.989 671 T CA -0.825 61.401 62.100 0.209 0.000 1.139 671 T CB 0.700 69.724 68.868 0.260 0.000 0.920 671 T HN 0.310 nan 8.240 nan 0.000 0.537 672 P HA 0.230 nan 4.420 nan 0.000 0.268 672 P C 1.048 178.369 177.300 0.036 0.000 1.204 672 P CA 0.626 63.752 63.100 0.044 0.000 0.768 672 P CB 0.354 32.072 31.700 0.029 0.000 0.842 673 G N 1.052 109.864 108.800 0.019 0.000 2.184 673 G HA2 -0.213 3.747 3.960 0.000 0.000 0.264 673 G HA3 -0.213 3.747 3.960 0.000 0.000 0.264 673 G C 0.152 175.037 174.900 -0.025 0.000 0.975 673 G CA 0.002 45.101 45.100 -0.001 0.000 0.642 673 G HN 0.478 nan 8.290 nan 0.000 0.536 674 K N 0.236 120.622 120.400 -0.023 0.000 2.118 674 K HA 0.627 4.947 4.320 0.000 0.000 0.254 674 K C 0.118 176.602 176.600 -0.193 0.000 0.961 674 K CA -0.546 55.652 56.287 -0.148 0.000 0.876 674 K CB 1.261 33.620 32.500 -0.236 0.000 1.077 674 K HN 0.223 nan 8.250 nan 0.000 0.440 675 Q N 1.536 121.146 119.800 -0.316 0.000 2.309 675 Q HA 0.424 4.764 4.340 0.000 0.000 0.264 675 Q C -0.923 174.834 176.000 -0.406 0.000 1.008 675 Q CA -0.568 55.106 55.803 -0.216 0.000 0.853 675 Q CB 1.455 30.116 28.738 -0.129 0.000 1.314 675 Q HN 0.454 nan 8.270 nan 0.000 0.448 676 Y N 0.581 120.839 120.300 -0.069 0.000 2.477 676 Y HA 0.399 4.949 4.550 0.000 0.000 0.347 676 Y C 0.037 175.890 175.900 -0.079 0.000 0.981 676 Y CA -1.029 57.032 58.100 -0.066 0.000 1.033 676 Y CB 1.686 40.092 38.460 -0.092 0.000 1.245 676 Y HN 0.389 nan 8.280 nan 0.000 0.455 677 I N 3.203 123.830 120.570 0.096 0.000 2.291 677 I HA 0.403 4.573 4.170 0.000 0.000 0.292 677 I C 0.129 176.266 176.117 0.033 0.000 1.064 677 I CA -0.408 60.914 61.300 0.037 0.000 1.269 677 I CB 0.123 38.140 38.000 0.027 0.000 1.418 677 I HN 0.668 nan 8.210 nan 0.000 0.485 678 A N 5.437 128.246 122.820 -0.018 0.000 2.317 678 A HA 0.777 5.097 4.320 0.000 0.000 0.327 678 A C 0.001 177.567 177.584 -0.031 0.000 1.178 678 A CA -0.391 51.619 52.037 -0.046 0.000 0.817 678 A CB 0.757 19.659 19.000 -0.163 0.000 1.189 678 A HN 0.632 nan 8.150 nan 0.000 0.489 679 T N 2.122 116.690 114.554 0.023 0.000 2.815 679 T HA 0.471 4.821 4.350 0.000 0.000 0.289 679 T C -0.580 174.091 174.700 -0.048 0.000 1.000 679 T CA -0.293 61.780 62.100 -0.045 0.000 0.958 679 T CB 1.069 69.939 68.868 0.003 0.000 0.944 679 T HN 0.406 nan 8.240 nan 0.000 0.442 680 V N 4.673 124.497 119.914 -0.150 0.000 2.350 680 V HA 0.351 4.471 4.120 0.000 0.000 0.276 680 V C -0.980 175.023 176.094 -0.151 0.000 1.028 680 V CA -0.824 61.438 62.300 -0.062 0.000 0.860 680 V CB 0.187 31.979 31.823 -0.052 0.000 0.990 680 V HN 0.828 nan 8.190 nan 0.000 0.453 681 Y N 3.759 124.085 120.300 0.043 0.000 2.417 681 Y HA 0.724 5.274 4.550 -0.000 0.000 0.336 681 Y C 0.492 176.433 175.900 0.067 0.000 0.961 681 Y CA -0.302 57.823 58.100 0.041 0.000 1.215 681 Y CB 1.393 39.819 38.460 -0.057 0.000 1.120 681 Y HN 0.727 nan 8.280 nan 0.000 0.499 682 A N 1.910 124.857 122.820 0.213 0.000 2.485 682 A HA 0.567 4.887 4.320 0.000 0.000 0.292 682 A C -1.045 176.662 177.584 0.204 0.000 1.147 682 A CA -1.035 51.124 52.037 0.204 0.000 0.750 682 A CB 0.998 20.072 19.000 0.123 0.000 1.331 682 A HN 0.551 nan 8.150 nan 0.000 0.419 683 D N 1.282 121.793 120.400 0.185 0.000 2.424 683 D HA 0.429 5.069 4.640 0.000 0.000 0.244 683 D C 0.638 177.023 176.300 0.142 0.000 1.134 683 D CA 0.758 54.857 54.000 0.165 0.000 0.881 683 D CB 1.391 42.277 40.800 0.142 0.000 1.191 683 D HN 0.712 nan 8.370 nan 0.000 0.445 684 A N 2.391 125.283 122.820 0.121 0.000 2.296 684 A HA 0.199 4.519 4.320 0.000 0.000 0.264 684 A C 0.547 178.179 177.584 0.080 0.000 1.097 684 A CA -0.408 51.674 52.037 0.076 0.000 0.811 684 A CB 0.382 19.400 19.000 0.030 0.000 1.072 684 A HN 0.412 nan 8.150 nan 0.000 0.495 685 K N 0.380 120.815 120.400 0.058 0.000 2.489 685 K HA 0.140 4.460 4.320 0.000 0.000 0.278 685 K C -0.444 176.188 176.600 0.053 0.000 1.000 685 K CA 1.188 57.510 56.287 0.057 0.000 1.012 685 K CB -0.113 32.404 32.500 0.029 0.000 0.903 685 K HN 0.637 nan 8.250 nan 0.000 0.485 686 D N 0.586 121.026 120.400 0.066 0.000 3.090 686 D HA -0.194 4.446 4.640 0.000 0.000 0.215 686 D C -0.657 175.676 176.300 0.056 0.000 1.140 686 D CA 1.377 55.409 54.000 0.053 0.000 0.937 686 D CB -1.566 39.250 40.800 0.028 0.000 1.108 686 D HN 0.697 nan 8.370 nan 0.000 0.420 687 A N 0.271 123.140 122.820 0.082 0.000 2.425 687 A HA 0.464 4.784 4.320 0.000 0.000 0.242 687 A C 0.223 177.852 177.584 0.075 0.000 1.077 687 A CA 0.566 52.651 52.037 0.080 0.000 0.781 687 A CB 0.667 19.730 19.000 0.106 0.000 1.020 687 A HN 0.196 nan 8.150 nan 0.000 0.494 688 D N -0.093 120.337 120.400 0.050 0.000 2.878 688 D HA 0.218 4.858 4.640 0.000 0.000 0.211 688 D C 0.883 177.177 176.300 -0.011 0.000 1.271 688 D CA -0.468 53.534 54.000 0.005 0.000 0.845 688 D CB 0.352 41.096 40.800 -0.093 0.000 1.679 688 D HN 0.610 nan 8.370 nan 0.000 0.536 689 W N 4.574 125.901 121.300 0.044 0.000 2.325 689 W HA -0.151 4.509 4.660 -0.000 0.000 0.299 689 W C 1.036 177.567 176.519 0.019 0.000 1.215 689 W CA 1.047 58.409 57.345 0.028 0.000 1.244 689 W CB -0.309 29.166 29.460 0.027 0.000 1.140 689 W HN 0.409 nan 8.180 nan 0.000 0.523 690 K N 0.311 120.059 120.400 -1.086 0.000 2.078 690 K HA -0.092 4.228 4.320 0.000 0.000 0.203 690 K C 2.084 178.447 176.600 -0.395 0.000 1.043 690 K CA 1.236 56.890 56.287 -1.054 0.000 0.960 690 K CB -0.014 31.435 32.500 -1.750 0.000 0.761 690 K HN -0.203 nan 8.250 nan 0.000 0.448 691 E N 0.265 120.269 120.200 -0.326 0.000 2.318 691 E HA -0.036 4.314 4.350 0.000 0.000 0.193 691 E C -0.004 176.570 176.600 -0.044 0.000 0.998 691 E CA 0.552 56.870 56.400 -0.136 0.000 0.859 691 E CB 0.300 29.924 29.700 -0.127 0.000 0.812 691 E HN 0.169 nan 8.360 nan 0.000 0.492 692 N N -0.044 118.633 118.700 -0.037 0.000 2.732 692 N HA 0.072 4.812 4.740 0.000 0.000 0.230 692 N C -2.322 173.214 175.510 0.043 0.000 1.487 692 N CA -0.869 52.193 53.050 0.020 0.000 0.765 692 N CB 0.972 39.468 38.487 0.015 0.000 1.384 692 N HN -0.202 nan 8.380 nan 0.000 0.530 693 P HA -0.064 nan 4.420 nan 0.000 0.227 693 P C 0.218 177.555 177.300 0.062 0.000 1.161 693 P CA 0.977 64.122 63.100 0.075 0.000 0.788 693 P CB 0.495 32.237 31.700 0.071 0.000 0.822 694 Q N -0.294 119.546 119.800 0.066 0.000 2.222 694 Q HA 0.341 4.681 4.340 0.000 0.000 0.206 694 Q C 0.401 176.482 176.000 0.136 0.000 0.877 694 Q CA -0.377 55.464 55.803 0.063 0.000 0.958 694 Q CB 0.348 29.120 28.738 0.056 0.000 1.075 694 Q HN 0.119 nan 8.270 nan 0.000 0.483 695 A N 1.466 124.347 122.820 0.101 0.000 2.316 695 A HA 0.475 4.795 4.320 0.000 0.000 0.311 695 A C -0.807 176.839 177.584 0.102 0.000 1.339 695 A CA -0.401 51.657 52.037 0.034 0.000 0.960 695 A CB -0.397 18.623 19.000 0.032 0.000 1.152 695 A HN 0.338 nan 8.150 nan 0.000 0.547 696 Y N 0.013 120.334 120.300 0.036 0.000 2.615 696 Y HA 0.845 5.395 4.550 -0.000 0.000 0.341 696 Y C -0.122 175.810 175.900 0.054 0.000 1.089 696 Y CA -0.750 57.377 58.100 0.044 0.000 1.049 696 Y CB 1.115 39.593 38.460 0.030 0.000 1.296 696 Y HN 0.520 nan 8.280 nan 0.000 0.470 697 T N -0.030 114.660 114.554 0.226 0.000 2.907 697 T HA 0.810 5.160 4.350 0.000 0.000 0.292 697 T C -1.116 173.683 174.700 0.165 0.000 1.043 697 T CA -0.710 61.462 62.100 0.120 0.000 1.003 697 T CB 1.694 70.592 68.868 0.050 0.000 1.084 697 T HN 0.751 nan 8.240 nan 0.000 0.483 698 I N 2.081 122.696 120.570 0.075 0.000 2.478 698 I HA 0.450 4.620 4.170 0.000 0.000 0.287 698 I C -0.667 175.396 176.117 -0.090 0.000 1.042 698 I CA -1.007 60.252 61.300 -0.067 0.000 1.067 698 I CB 1.904 39.867 38.000 -0.063 0.000 1.233 698 I HN 0.389 nan 8.210 nan 0.000 0.431 699 K N 5.892 126.212 120.400 -0.132 0.000 2.345 699 K HA 0.496 4.816 4.320 0.000 0.000 0.255 699 K C -0.949 175.585 176.600 -0.111 0.000 0.934 699 K CA -0.766 55.465 56.287 -0.092 0.000 0.801 699 K CB 2.906 35.367 32.500 -0.065 0.000 1.137 699 K HN 0.485 nan 8.250 nan 0.000 0.424 700 K N 1.099 121.452 120.400 -0.078 0.000 2.292 700 K HA 0.684 5.004 4.320 0.000 0.000 0.257 700 K C -0.469 176.100 176.600 -0.050 0.000 0.940 700 K CA -0.523 55.725 56.287 -0.064 0.000 0.811 700 K CB 1.471 33.945 32.500 -0.044 0.000 1.120 700 K HN 0.802 nan 8.250 nan 0.000 0.428 701 G N 2.841 111.608 108.800 -0.054 0.000 2.650 701 G HA2 0.379 4.339 3.960 0.000 0.000 0.310 701 G HA3 0.379 4.339 3.960 0.000 0.000 0.310 701 G C -1.587 173.280 174.900 -0.054 0.000 1.270 701 G CA -0.676 44.393 45.100 -0.052 0.000 0.810 701 G HN 0.395 nan 8.290 nan 0.000 0.493 702 I N 0.924 121.460 120.570 -0.057 0.000 2.412 702 I HA 0.584 4.754 4.170 0.000 0.000 0.296 702 I C -0.268 175.796 176.117 -0.087 0.000 0.987 702 I CA -0.478 60.791 61.300 -0.052 0.000 1.180 702 I CB 1.058 39.035 38.000 -0.038 0.000 1.340 702 I HN 0.273 nan 8.210 nan 0.000 0.455 703 L N 4.596 125.769 121.223 -0.083 0.000 2.371 703 L HA 0.674 5.014 4.340 0.000 0.000 0.262 703 L C 0.005 176.855 176.870 -0.035 0.000 1.006 703 L CA -0.432 54.302 54.840 -0.177 0.000 0.818 703 L CB 2.602 44.397 42.059 -0.440 0.000 1.354 703 L HN 0.756 nan 8.230 nan 0.000 0.415 704 T N -3.222 111.283 114.554 -0.082 0.000 2.778 704 T HA 0.199 4.549 4.350 0.000 0.000 0.293 704 T C 0.413 175.060 174.700 -0.088 0.000 1.144 704 T CA -0.742 61.365 62.100 0.012 0.000 1.010 704 T CB 1.291 70.163 68.868 0.008 0.000 1.325 704 T HN 0.618 nan 8.240 nan 0.000 0.515 705 N N 0.163 118.826 118.700 -0.061 0.000 2.609 705 N HA -0.054 4.686 4.740 0.000 0.000 0.190 705 N C 0.699 176.157 175.510 -0.086 0.000 1.157 705 N CA 0.257 53.230 53.050 -0.127 0.000 0.918 705 N CB -0.193 38.239 38.487 -0.090 0.000 0.978 705 N HN 0.439 nan 8.380 nan 0.000 0.448 706 K N 0.011 120.380 120.400 -0.051 0.000 2.358 706 K HA 0.219 4.539 4.320 0.000 0.000 0.197 706 K C 0.078 176.668 176.600 -0.017 0.000 1.025 706 K CA -0.077 56.190 56.287 -0.033 0.000 1.104 706 K CB 0.520 33.005 32.500 -0.025 0.000 0.855 706 K HN 0.057 nan 8.250 nan 0.000 0.531 707 S N 1.688 117.385 115.700 -0.006 0.000 2.576 707 S HA 0.228 4.698 4.470 0.000 0.000 0.276 707 S C -0.051 174.649 174.600 0.166 0.000 1.339 707 S CA 0.049 58.276 58.200 0.046 0.000 1.039 707 S CB 0.856 64.029 63.200 -0.045 0.000 0.902 707 S HN 0.058 nan 8.310 nan 0.000 0.516 708 K N 1.214 121.691 120.400 0.128 0.000 2.482 708 K HA 0.608 4.928 4.320 0.000 0.000 0.251 708 K C -1.675 174.986 176.600 0.101 0.000 0.936 708 K CA -0.684 55.653 56.287 0.083 0.000 0.791 708 K CB 1.884 34.386 32.500 0.004 0.000 1.213 708 K HN 0.315 nan 8.250 nan 0.000 0.428 709 L N 2.092 123.373 121.223 0.097 0.000 2.431 709 L HA 0.496 4.836 4.340 0.000 0.000 0.266 709 L C -1.792 175.061 176.870 -0.028 0.000 0.978 709 L CA -0.399 54.481 54.840 0.067 0.000 0.822 709 L CB 2.140 44.307 42.059 0.181 0.000 1.310 709 L HN 0.508 nan 8.230 nan 0.000 0.409 710 N N 4.611 123.285 118.700 -0.043 0.000 2.444 710 N HA 0.749 5.489 4.740 0.000 0.000 0.262 710 N C -1.467 173.996 175.510 -0.080 0.000 0.974 710 N CA -0.143 52.869 53.050 -0.062 0.000 0.933 710 N CB 1.342 39.802 38.487 -0.045 0.000 1.137 710 N HN 0.503 nan 8.380 nan 0.000 0.498 711 L N 1.318 122.471 121.223 -0.116 0.000 2.370 711 L HA 0.478 4.818 4.340 0.000 0.000 0.266 711 L C -0.836 176.054 176.870 0.033 0.000 1.002 711 L CA -0.973 53.784 54.840 -0.139 0.000 0.818 711 L CB 1.969 43.700 42.059 -0.546 0.000 1.325 711 L HN 0.547 nan 8.230 nan 0.000 0.418 712 H N 1.786 120.864 119.070 0.014 0.000 2.539 712 H HA 0.678 5.234 4.556 -0.000 0.000 0.332 712 H C -0.737 174.692 175.328 0.167 0.000 1.031 712 H CA -0.420 55.667 56.048 0.066 0.000 1.206 712 H CB 1.705 31.482 29.762 0.026 0.000 1.446 712 H HN 0.680 nan 8.280 nan 0.000 0.496 713 A N 4.411 127.019 122.820 -0.353 0.000 2.289 713 A HA 0.678 4.998 4.320 0.000 0.000 0.298 713 A C 0.328 177.626 177.584 -0.477 0.000 1.208 713 A CA -0.035 51.883 52.037 -0.198 0.000 0.845 713 A CB -0.107 18.876 19.000 -0.029 0.000 1.125 713 A HN 0.962 nan 8.150 nan 0.000 0.517 714 A N 2.876 125.598 122.820 -0.163 0.000 2.292 714 A HA 0.312 4.632 4.320 0.000 0.000 0.265 714 A C 0.467 178.104 177.584 0.089 0.000 1.133 714 A CA -0.452 51.589 52.037 0.006 0.000 0.807 714 A CB -0.123 18.948 19.000 0.119 0.000 1.102 714 A HN 0.903 nan 8.150 nan 0.000 0.502 715 N N 0.008 118.819 118.700 0.186 0.000 2.438 715 N HA 0.345 5.085 4.740 0.000 0.000 0.267 715 N C 0.830 176.569 175.510 0.382 0.000 1.222 715 N CA 0.798 54.010 53.050 0.270 0.000 0.930 715 N CB 0.242 38.909 38.487 0.300 0.000 1.083 715 N HN 1.120 nan 8.380 nan 0.000 0.476 716 G N 1.449 110.402 108.800 0.256 0.000 2.160 716 G HA2 -0.213 3.747 3.960 0.000 0.000 0.251 716 G HA3 -0.213 3.747 3.960 0.000 0.000 0.251 716 G C 0.410 175.409 174.900 0.164 0.000 1.008 716 G CA 0.060 45.261 45.100 0.169 0.000 0.724 716 G HN 0.795 nan 8.290 nan 0.000 0.514 717 G N -1.707 107.168 108.800 0.125 0.000 3.107 717 G HA2 1.069 5.029 3.960 0.000 0.000 0.232 717 G HA3 1.069 5.029 3.960 0.000 0.000 0.232 717 G C 0.370 175.285 174.900 0.025 0.000 1.339 717 G CA 0.288 45.439 45.100 0.086 0.000 1.033 717 G HN 1.689 nan 8.290 nan 0.000 0.567 718 G N -2.199 106.611 108.800 0.017 0.000 2.360 718 G HA2 0.607 4.567 3.960 0.000 0.000 0.276 718 G HA3 0.607 4.567 3.960 0.000 0.000 0.276 718 G C -1.740 173.176 174.900 0.027 0.000 1.256 718 G CA 0.182 45.236 45.100 -0.077 0.000 0.890 718 G HN 1.730 nan 8.290 nan 0.000 0.486 719 Y N -2.442 117.862 120.300 0.007 0.000 2.656 719 Y HA 0.887 5.437 4.550 0.000 0.000 0.334 719 Y C -0.423 175.439 175.900 -0.063 0.000 1.179 719 Y CA -1.414 56.685 58.100 -0.001 0.000 1.050 719 Y CB 1.107 39.589 38.460 0.037 0.000 1.308 719 Y HN 1.681 nan 8.280 nan 0.000 0.456 720 A N 2.013 124.911 122.820 0.130 0.000 2.449 720 A HA 0.898 5.218 4.320 0.000 0.000 0.302 720 A C -1.669 175.957 177.584 0.070 0.000 1.048 720 A CA -0.875 51.035 52.037 -0.210 0.000 0.708 720 A CB 1.171 19.448 19.000 -1.207 0.000 1.274 720 A HN 0.755 nan 8.150 nan 0.000 0.410 721 I N 1.701 122.410 120.570 0.232 0.000 2.534 721 I HA 0.357 4.527 4.170 0.000 0.000 0.288 721 I C 0.041 176.479 176.117 0.534 0.000 1.077 721 I CA -0.527 61.007 61.300 0.389 0.000 1.051 721 I CB 2.540 40.723 38.000 0.306 0.000 1.234 721 I HN 0.663 nan 8.210 nan 0.000 0.425 722 S N 6.684 122.693 115.700 0.514 0.000 2.462 722 S HA 0.765 5.235 4.470 0.000 0.000 0.294 722 S C -0.597 174.011 174.600 0.014 0.000 1.144 722 S CA -0.623 57.707 58.200 0.217 0.000 1.088 722 S CB 1.298 64.721 63.200 0.372 0.000 1.009 722 S HN 0.505 nan 8.310 nan 0.000 0.484 723 I N 2.713 123.185 120.570 -0.163 0.000 2.495 723 I HA 0.330 4.500 4.170 0.000 0.000 0.277 723 I C -0.370 175.781 176.117 0.057 0.000 1.045 723 I CA -0.479 60.794 61.300 -0.045 0.000 1.135 723 I CB 1.213 39.164 38.000 -0.082 0.000 1.241 723 I HN 0.519 nan 8.210 nan 0.000 0.469 724 K N 5.189 125.658 120.400 0.114 0.000 2.185 724 K HA 0.314 4.634 4.320 0.000 0.000 0.269 724 K C -0.097 176.634 176.600 0.218 0.000 0.987 724 K CA -0.675 55.708 56.287 0.159 0.000 0.865 724 K CB 2.142 34.690 32.500 0.080 0.000 1.090 724 K HN 0.498 nan 8.250 nan 0.000 0.450 725 E N 2.654 122.970 120.200 0.195 0.000 2.414 725 E HA -0.010 4.340 4.350 0.000 0.000 0.263 725 E C -0.622 175.907 176.600 -0.118 0.000 1.000 725 E CA -0.414 55.901 56.400 -0.141 0.000 0.914 725 E CB 0.709 30.331 29.700 -0.130 0.000 0.948 725 E HN 0.183 nan 8.360 nan 0.000 0.444 726 V N 6.494 126.292 119.914 -0.193 0.000 2.485 726 V HA -0.034 4.086 4.120 0.000 0.000 0.287 726 V C 1.105 177.143 176.094 -0.093 0.000 1.022 726 V CA 0.219 62.452 62.300 -0.111 0.000 1.067 726 V CB 0.888 32.642 31.823 -0.115 0.000 0.967 726 V HN 0.715 nan 8.190 nan 0.000 0.479 727 K N 2.048 122.414 120.400 -0.055 0.000 2.276 727 K HA 0.223 4.543 4.320 0.000 0.000 0.198 727 K C -0.038 176.540 176.600 -0.038 0.000 1.052 727 K CA 0.471 56.732 56.287 -0.044 0.000 0.984 727 K CB 0.420 32.904 32.500 -0.028 0.000 0.836 727 K HN 0.628 nan 8.250 nan 0.000 0.490 728 D N 0.871 121.251 120.400 -0.033 0.000 2.863 728 D HA 0.063 4.703 4.640 0.000 0.000 0.245 728 D C 0.560 176.842 176.300 -0.029 0.000 1.211 728 D CA -0.205 53.778 54.000 -0.028 0.000 0.888 728 D CB 1.905 42.692 40.800 -0.021 0.000 1.483 728 D HN -0.033 nan 8.370 nan 0.000 0.533 729 K N -0.279 120.103 120.400 -0.030 0.000 2.366 729 K HA -0.128 4.192 4.320 0.000 0.000 0.202 729 K C 0.929 177.515 176.600 -0.023 0.000 1.045 729 K CA 1.226 57.496 56.287 -0.029 0.000 0.934 729 K CB -0.099 32.385 32.500 -0.027 0.000 0.746 729 K HN 0.006 nan 8.250 nan 0.000 0.470 730 S N 1.228 116.917 115.700 -0.019 0.000 2.555 730 S HA -0.050 4.420 4.470 0.000 0.000 0.230 730 S C 1.177 175.770 174.600 -0.012 0.000 0.978 730 S CA 0.938 59.129 58.200 -0.014 0.000 0.934 730 S CB -0.050 63.143 63.200 -0.012 0.000 0.766 730 S HN 0.488 nan 8.310 nan 0.000 0.533 731 E N 1.516 121.707 120.200 -0.015 0.000 2.122 731 E HA 0.122 4.472 4.350 0.000 0.000 0.190 731 E C 1.845 178.437 176.600 -0.012 0.000 0.977 731 E CA 0.696 57.089 56.400 -0.011 0.000 0.820 731 E CB -0.100 29.593 29.700 -0.012 0.000 0.770 731 E HN 0.452 nan 8.360 nan 0.000 0.462 732 A N 1.505 124.314 122.820 -0.019 0.000 2.259 732 A HA 0.001 4.321 4.320 0.000 0.000 0.208 732 A C 0.350 177.924 177.584 -0.017 0.000 1.201 732 A CA 0.029 52.054 52.037 -0.020 0.000 0.824 732 A CB -0.281 18.702 19.000 -0.028 0.000 0.838 732 A HN -0.023 nan 8.150 nan 0.000 0.485 733 K N -0.183 120.209 120.400 -0.014 0.000 2.412 733 K HA 0.343 4.663 4.320 0.000 0.000 0.284 733 K C 1.136 177.729 176.600 -0.010 0.000 1.046 733 K CA 0.616 56.896 56.287 -0.012 0.000 0.999 733 K CB 0.254 32.748 32.500 -0.010 0.000 0.941 733 K HN 0.519 nan 8.250 nan 0.000 0.474 734 G N 2.485 111.278 108.800 -0.011 0.000 2.179 734 G HA2 -0.274 3.686 3.960 0.000 0.000 0.260 734 G HA3 -0.274 3.686 3.960 0.000 0.000 0.260 734 G C 0.069 174.962 174.900 -0.013 0.000 0.977 734 G CA -0.205 44.889 45.100 -0.010 0.000 0.641 734 G HN 0.468 nan 8.290 nan 0.000 0.533 735 L N 0.126 121.339 121.223 -0.016 0.000 2.343 735 L HA 0.632 4.972 4.340 0.000 0.000 0.275 735 L C 0.622 177.478 176.870 -0.023 0.000 1.056 735 L CA -0.708 54.120 54.840 -0.020 0.000 0.804 735 L CB 1.415 43.461 42.059 -0.021 0.000 1.203 735 L HN 0.043 nan 8.230 nan 0.000 0.440 736 K N 1.742 122.126 120.400 -0.026 0.000 2.295 736 K HA 0.539 4.859 4.320 0.000 0.000 0.239 736 K C -0.775 175.804 176.600 -0.036 0.000 0.991 736 K CA -1.046 55.225 56.287 -0.028 0.000 0.845 736 K CB 1.786 34.271 32.500 -0.025 0.000 1.197 736 K HN 0.425 nan 8.250 nan 0.000 0.441 737 R N 1.403 121.882 120.500 -0.036 0.000 2.489 737 R HA 0.148 4.488 4.340 0.000 0.000 0.287 737 R C 0.127 176.397 176.300 -0.049 0.000 1.053 737 R CA -0.093 55.980 56.100 -0.045 0.000 1.036 737 R CB 0.105 30.381 30.300 -0.039 0.000 0.966 737 R HN 0.347 nan 8.270 nan 0.000 0.432 738 L N 0.000 121.183 121.223 -0.067 0.000 2.949 738 L HA 0.000 4.340 4.340 0.000 0.000 0.249 738 L CA 0.000 54.802 54.840 -0.064 0.000 0.813 738 L CB 0.000 42.003 42.059 -0.093 0.000 0.961 738 L HN 0.000 nan 8.230 nan 0.000 0.502