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 2x19_1_B DATA FIRST_RESID 18 DATA SEQUENCE ALDFTVENVE KALHQLYYDP NIENKNLAQK WLXQAQVSPQ AWHFSWQLLQ DATA SEQUENCE PDKVPEIQYF GASALHIKIS RYWSDIPTDQ YESLKAQLFT QITRFASGSK DATA SEQUENCE IVLTRLCVAL ASLALSXXPD AWPCAVADXV RLFQAXXXXX XGQGRCLALL DATA SEQUENCE ELLTVLPEEF QTSRLXXXXX XXXXTSLAVE CGAVFPLLEQ LLQQPSSPSC DATA SEQUENCE VRQKVLKCFS SWVQLEVPLQ DCEALIQAAF AALQDSELFD SSVEAIVNAI DATA SEQUENCE SQPDAQRYVN TLLKLIPLVL GLQEQLRQAV QNGDXETSHG ICRIAVALGE DATA SEQUENCE NHSRALLDQV EHWQSFLALV NXIXFCTGIP GHYPVNETTS SLTLTFWYTL DATA SEQUENCE QDDILSFEAE KQAVYQQVYR PVYFQLVDVL LHKAQFPSDE EYGFWSSDEK DATA SEQUENCE EQFRIYRVDI SDTLXYVYEX LGAELLSNLY DKLGRLLTSS EEPYSWQHTE DATA SEQUENCE ALLYGFQSIA ETIDVNYSDV VPGLIGLIPR ISISNVQLAD TVXFTIGALS DATA SEQUENCE EWLADHPVXI NSVLPLVLHA LGNPELSVSS VSTLKKICRE CKYDLPPYAA DATA SEQUENCE NIVAVSQDVL XKQIHKTSQC XWLXQALGFL LSALQVEEIL KNLHSLISPY DATA SEQUENCE IQQLEKLAEE IPNPSNKLAI VHILGLLSNL FTTLDISHHE XXXXXXXXXX DATA SEQUENCE XXXXXGPNPV VVVLQQVFQL IQKVLSKWLN DAQVVEAVCA IFEKSVKTLL DATA SEQUENCE DDFAPXVPQL CEXLGRXYST IPQASALDLT RQLVHIFAHE PAHFPPIEAL DATA SEQUENCE FLLVTSVTLT LFQQGPRDHP DIVDSFXQLL AQALKRKPDL FLCERLDVKA DATA SEQUENCE VFQCAVLALK FPEAPTVKAS CGFFTELLPR CGEVESVGKV VQEDGRXLLI DATA SEQUENCE AVLEAIGGQA SRSLXDCFAD ILFALNKHCF SLLSXWIKEA LQPPGFPSAR DATA SEQUENCE LSPEQKDTFS QQILRERVNK RRVKEXVKEF TLLCRGL 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 18 A HA 0.000 nan 4.320 nan 0.000 0.244 18 A C 0.000 177.570 177.584 -0.024 0.000 1.274 18 A CA 0.000 52.025 52.037 -0.019 0.000 0.836 18 A CB 0.000 18.988 19.000 -0.021 0.000 0.831 19 L N 2.283 123.505 121.223 -0.003 0.000 2.277 19 L HA 0.418 4.761 4.340 0.004 0.000 0.284 19 L C 0.013 176.910 176.870 0.045 0.000 1.028 19 L CA -0.694 54.159 54.840 0.021 0.000 0.835 19 L CB 1.400 43.434 42.059 -0.041 0.000 1.215 19 L HN 0.769 nan 8.230 nan 0.000 0.425 20 D N 1.874 122.258 120.400 -0.027 0.000 2.383 20 D HA 0.181 4.824 4.640 0.004 0.000 0.248 20 D C -0.337 175.961 176.300 -0.003 0.000 1.170 20 D CA -0.147 53.747 54.000 -0.178 0.000 0.977 20 D CB 0.788 41.545 40.800 -0.071 0.000 1.120 20 D HN 0.132 nan 8.370 nan 0.000 0.481 21 F N 1.113 121.168 119.950 0.175 0.000 2.659 21 F HA 0.197 4.727 4.527 0.005 0.000 0.360 21 F C 0.876 176.782 175.800 0.176 0.000 1.218 21 F CA -0.544 57.530 58.000 0.124 0.000 1.317 21 F CB -1.077 37.944 39.000 0.036 0.000 1.697 21 F HN 0.075 nan 8.300 nan 0.000 0.637 22 T N -3.365 111.364 114.554 0.292 0.000 2.944 22 T HA 0.417 4.769 4.350 0.004 0.000 0.284 22 T C 1.250 176.024 174.700 0.123 0.000 1.010 22 T CA -0.725 61.513 62.100 0.231 0.000 1.025 22 T CB 1.777 70.745 68.868 0.167 0.000 1.079 22 T HN 0.021 nan 8.240 nan 0.000 0.516 23 V N 1.766 121.759 119.914 0.132 0.000 2.282 23 V HA -0.182 3.941 4.120 0.004 0.000 0.249 23 V C 2.741 178.848 176.094 0.022 0.000 1.057 23 V CA 2.351 64.687 62.300 0.060 0.000 1.032 23 V CB -1.178 30.709 31.823 0.106 0.000 0.645 23 V HN 0.922 nan 8.190 nan 0.000 0.447 24 E N 0.728 120.954 120.200 0.043 0.000 2.086 24 E HA -0.211 4.142 4.350 0.004 0.000 0.200 24 E C 2.044 178.629 176.600 -0.026 0.000 1.012 24 E CA 1.739 58.147 56.400 0.012 0.000 0.812 24 E CB -0.471 29.239 29.700 0.017 0.000 0.743 24 E HN 0.610 nan 8.360 nan 0.000 0.453 25 N N -0.153 118.544 118.700 -0.005 0.000 2.331 25 N HA -0.067 4.675 4.740 0.004 0.000 0.180 25 N C 1.779 177.234 175.510 -0.092 0.000 1.019 25 N CA 0.764 53.768 53.050 -0.077 0.000 0.881 25 N CB 0.033 38.523 38.487 0.006 0.000 0.972 25 N HN 0.048 nan 8.380 nan 0.000 0.435 26 V N 1.988 121.913 119.914 0.017 0.000 2.307 26 V HA -0.174 3.949 4.120 0.004 0.000 0.245 26 V C 2.156 178.168 176.094 -0.136 0.000 1.045 26 V CA 1.479 63.752 62.300 -0.045 0.000 1.024 26 V CB -0.461 31.133 31.823 -0.382 0.000 0.651 26 V HN 0.257 nan 8.190 nan 0.000 0.449 27 E N 0.188 120.334 120.200 -0.091 0.000 2.049 27 E HA -0.281 4.072 4.350 0.004 0.000 0.198 27 E C 2.316 178.882 176.600 -0.057 0.000 1.007 27 E CA 1.536 57.907 56.400 -0.049 0.000 0.809 27 E CB -0.222 29.477 29.700 -0.002 0.000 0.749 27 E HN 0.551 nan 8.360 nan 0.000 0.450 28 K N 0.410 120.754 120.400 -0.093 0.000 2.044 28 K HA -0.189 4.134 4.320 0.004 0.000 0.210 28 K C 2.237 178.761 176.600 -0.127 0.000 1.049 28 K CA 1.196 57.420 56.287 -0.106 0.000 0.927 28 K CB -0.226 32.174 32.500 -0.166 0.000 0.713 28 K HN 0.078 nan 8.250 nan 0.000 0.443 29 A N 1.558 124.241 122.820 -0.229 0.000 1.865 29 A HA -0.175 4.148 4.320 0.004 0.000 0.217 29 A C 2.183 179.604 177.584 -0.272 0.000 1.191 29 A CA 1.427 53.310 52.037 -0.258 0.000 0.623 29 A CB -0.779 18.101 19.000 -0.201 0.000 0.826 29 A HN 0.171 nan 8.150 nan 0.000 0.444 30 L N -1.629 119.393 121.223 -0.334 0.000 2.012 30 L HA -0.247 4.095 4.340 0.004 0.000 0.210 30 L C 2.660 179.267 176.870 -0.438 0.000 1.073 30 L CA 1.980 56.488 54.840 -0.552 0.000 0.748 30 L CB -0.806 40.994 42.059 -0.433 0.000 0.891 30 L HN 0.678 nan 8.230 nan 0.000 0.431 31 H N -0.310 118.653 119.070 -0.178 0.000 2.353 31 H HA -0.240 4.319 4.556 0.004 0.000 0.298 31 H C 2.379 177.687 175.328 -0.033 0.000 1.103 31 H CA 2.149 58.212 56.048 0.025 0.000 1.293 31 H CB 0.091 29.896 29.762 0.071 0.000 1.372 31 H HN 0.288 nan 8.280 nan 0.000 0.501 32 Q N -0.568 119.196 119.800 -0.060 0.000 1.993 32 Q HA -0.138 4.205 4.340 0.004 0.000 0.202 32 Q C 2.341 178.225 176.000 -0.194 0.000 0.984 32 Q CA 1.503 57.249 55.803 -0.094 0.000 0.837 32 Q CB -0.188 28.497 28.738 -0.088 0.000 0.902 32 Q HN 0.482 nan 8.270 nan 0.000 0.423 33 L N -0.122 120.925 121.223 -0.292 0.000 2.013 33 L HA -0.240 4.103 4.340 0.004 0.000 0.212 33 L C 1.791 178.518 176.870 -0.237 0.000 1.073 33 L CA 1.882 56.539 54.840 -0.304 0.000 0.753 33 L CB -0.540 41.241 42.059 -0.464 0.000 0.890 33 L HN 0.378 nan 8.230 nan 0.000 0.432 34 Y N -3.255 116.811 120.300 -0.391 0.000 2.365 34 Y HA -0.133 4.420 4.550 0.004 0.000 0.293 34 Y C 1.533 176.870 175.900 -0.938 0.000 1.119 34 Y CA 0.698 58.376 58.100 -0.703 0.000 1.203 34 Y CB 0.073 37.946 38.460 -0.979 0.000 1.026 34 Y HN 0.195 nan 8.280 nan 0.000 0.549 35 Y N -1.739 118.476 120.300 -0.142 0.000 2.452 35 Y HA 0.085 4.638 4.550 0.004 0.000 0.262 35 Y C 0.379 176.187 175.900 -0.153 0.000 1.089 35 Y CA -0.760 57.213 58.100 -0.211 0.000 1.262 35 Y CB 0.530 38.730 38.460 -0.435 0.000 1.236 35 Y HN -0.199 nan 8.280 nan 0.000 0.512 36 D N 3.846 124.222 120.400 -0.040 0.000 2.346 36 D HA 0.021 4.664 4.640 0.004 0.000 0.260 36 D C -1.596 174.705 176.300 0.001 0.000 1.252 36 D CA -2.089 51.914 54.000 0.005 0.000 0.895 36 D CB 1.230 42.029 40.800 -0.001 0.000 1.097 36 D HN 0.101 nan 8.370 nan 0.000 0.489 37 P HA -0.167 nan 4.420 nan 0.000 0.223 37 P C 0.382 177.684 177.300 0.002 0.000 1.144 37 P CA 0.217 63.325 63.100 0.013 0.000 0.783 37 P CB 0.134 31.846 31.700 0.020 0.000 0.771 38 N N 0.902 119.602 118.700 -0.000 0.000 2.452 38 N HA -0.017 4.725 4.740 0.004 0.000 0.266 38 N C 1.261 176.765 175.510 -0.010 0.000 1.209 38 N CA -0.012 53.035 53.050 -0.005 0.000 0.929 38 N CB 0.301 38.784 38.487 -0.006 0.000 1.063 38 N HN -0.212 nan 8.380 nan 0.000 0.472 39 I N 3.517 124.083 120.570 -0.008 0.000 2.202 39 I HA -0.165 4.007 4.170 0.004 0.000 0.242 39 I C 1.738 177.849 176.117 -0.010 0.000 1.091 39 I CA 1.055 62.350 61.300 -0.008 0.000 1.368 39 I CB -1.130 36.868 38.000 -0.005 0.000 1.058 39 I HN 0.530 nan 8.210 nan 0.000 0.410 40 E N 1.170 121.365 120.200 -0.008 0.000 2.097 40 E HA -0.218 4.135 4.350 0.004 0.000 0.196 40 E C 1.929 178.522 176.600 -0.012 0.000 1.000 40 E CA 1.279 57.674 56.400 -0.008 0.000 0.804 40 E CB -0.405 29.291 29.700 -0.007 0.000 0.740 40 E HN 0.419 nan 8.360 nan 0.000 0.454 41 N N 0.166 118.855 118.700 -0.018 0.000 2.188 41 N HA -0.078 4.664 4.740 0.004 0.000 0.184 41 N C 1.343 176.831 175.510 -0.037 0.000 1.018 41 N CA 0.906 53.938 53.050 -0.029 0.000 0.858 41 N CB -0.026 38.443 38.487 -0.030 0.000 0.989 41 N HN 0.133 nan 8.380 nan 0.000 0.426 42 K N 0.439 120.819 120.400 -0.033 0.000 2.025 42 K HA 0.026 4.349 4.320 0.004 0.000 0.207 42 K C 1.423 178.006 176.600 -0.028 0.000 1.049 42 K CA 0.836 57.097 56.287 -0.043 0.000 0.933 42 K CB -0.048 32.432 32.500 -0.034 0.000 0.714 42 K HN 0.196 nan 8.250 nan 0.000 0.438 43 N N 1.250 119.942 118.700 -0.013 0.000 2.120 43 N HA -0.149 4.594 4.740 0.004 0.000 0.188 43 N C 1.933 177.450 175.510 0.012 0.000 1.024 43 N CA 1.070 54.120 53.050 0.001 0.000 0.852 43 N CB -0.261 38.228 38.487 0.004 0.000 1.003 43 N HN 0.141 nan 8.380 nan 0.000 0.424 44 L N 0.864 122.091 121.223 0.006 0.000 2.012 44 L HA -0.156 4.187 4.340 0.004 0.000 0.210 44 L C 2.506 179.401 176.870 0.043 0.000 1.073 44 L CA 1.239 56.092 54.840 0.021 0.000 0.748 44 L CB -0.561 41.497 42.059 -0.003 0.000 0.891 44 L HN 0.132 nan 8.230 nan 0.000 0.431 45 A N 0.504 123.322 122.820 -0.002 0.000 1.877 45 A HA -0.284 4.039 4.320 0.004 0.000 0.216 45 A C 2.172 179.788 177.584 0.054 0.000 1.186 45 A CA 1.852 53.886 52.037 -0.004 0.000 0.620 45 A CB -0.640 18.302 19.000 -0.096 0.000 0.822 45 A HN 0.564 nan 8.150 nan 0.000 0.443 46 Q N 0.390 120.196 119.800 0.010 0.000 2.135 46 Q HA -0.196 4.147 4.340 0.004 0.000 0.204 46 Q C 1.725 177.763 176.000 0.062 0.000 0.981 46 Q CA 2.404 58.220 55.803 0.021 0.000 0.856 46 Q CB -0.503 28.243 28.738 0.013 0.000 0.902 46 Q HN 0.631 nan 8.270 nan 0.000 0.425 47 K N -0.664 119.785 120.400 0.081 0.000 2.057 47 K HA -0.166 4.156 4.320 0.004 0.000 0.207 47 K C 1.784 178.455 176.600 0.117 0.000 1.049 47 K CA 1.471 57.809 56.287 0.085 0.000 0.931 47 K CB -0.467 32.085 32.500 0.087 0.000 0.714 47 K HN 0.400 nan 8.250 nan 0.000 0.440 48 W N 2.037 123.332 121.300 -0.008 0.000 2.381 48 W HA -0.042 4.621 4.660 0.004 0.000 0.301 48 W C 0.475 176.975 176.519 -0.031 0.000 1.205 48 W CA 0.750 58.109 57.345 0.023 0.000 1.285 48 W CB -0.140 29.335 29.460 0.025 0.000 1.133 48 W HN -0.112 nan 8.180 nan 0.000 0.521 52 A N 1.284 123.320 122.820 -1.306 0.000 1.972 52 A HA -0.248 4.075 4.320 0.004 0.000 0.219 52 A C 1.862 179.154 177.584 -0.486 0.000 1.169 52 A CA 1.988 53.141 52.037 -1.473 0.000 0.635 52 A CB -0.415 17.897 19.000 -1.147 0.000 0.810 52 A HN 0.400 nan 8.150 nan 0.000 0.446 53 Q N -0.539 119.090 119.800 -0.285 0.000 2.084 53 Q HA -0.111 4.232 4.340 0.004 0.000 0.202 53 Q C 1.827 177.570 176.000 -0.428 0.000 0.978 53 Q CA 1.830 57.493 55.803 -0.234 0.000 0.844 53 Q CB -0.120 28.517 28.738 -0.169 0.000 0.898 53 Q HN 0.411 nan 8.270 nan 0.000 0.426 54 V N 0.971 120.619 119.914 -0.443 0.000 2.719 54 V HA -0.082 4.041 4.120 0.004 0.000 0.252 54 V C 1.140 176.992 176.094 -0.404 0.000 1.065 54 V CA 0.828 62.820 62.300 -0.513 0.000 1.086 54 V CB -0.093 31.475 31.823 -0.426 0.000 0.700 54 V HN 0.426 nan 8.190 nan 0.000 0.467 55 S N 2.000 117.478 115.700 -0.370 0.000 2.568 55 S HA 0.084 4.557 4.470 0.004 0.000 0.282 55 S C -0.977 173.552 174.600 -0.120 0.000 1.338 55 S CA -0.493 57.599 58.200 -0.179 0.000 1.045 55 S CB 0.616 63.732 63.200 -0.140 0.000 0.873 55 S HN 0.309 nan 8.310 nan 0.000 0.516 56 P HA -0.028 nan 4.420 nan 0.000 0.237 56 P C 0.792 178.192 177.300 0.168 0.000 1.178 56 P CA 0.677 63.876 63.100 0.165 0.000 0.766 56 P CB 0.082 31.892 31.700 0.182 0.000 0.876 57 Q N 0.516 120.405 119.800 0.148 0.000 2.167 57 Q HA -0.024 4.319 4.340 0.004 0.000 0.202 57 Q C 2.456 178.405 176.000 -0.085 0.000 0.970 57 Q CA 1.702 57.644 55.803 0.231 0.000 0.855 57 Q CB -1.184 27.835 28.738 0.468 0.000 0.911 57 Q HN 0.191 nan 8.270 nan 0.000 0.438 58 A N -0.273 122.246 122.820 -0.502 0.000 2.042 58 A HA -0.214 4.109 4.320 0.004 0.000 0.222 58 A C 1.358 178.308 177.584 -1.056 0.000 1.167 58 A CA 1.383 52.539 52.037 -1.470 0.000 0.649 58 A CB -1.039 17.358 19.000 -1.006 0.000 0.809 58 A HN 0.617 nan 8.150 nan 0.000 0.457 59 W N -2.414 118.668 121.300 -0.363 0.000 2.937 59 W HA 0.067 4.729 4.660 0.004 0.000 0.245 59 W C 2.039 178.626 176.519 0.114 0.000 1.306 59 W CA 0.966 58.241 57.345 -0.117 0.000 1.470 59 W CB -0.003 29.459 29.460 0.003 0.000 1.132 59 W HN 0.710 nan 8.180 nan 0.000 0.675 60 H N -1.377 117.759 119.070 0.111 0.000 2.408 60 H HA -0.019 4.540 4.556 0.004 0.000 0.271 60 H C 1.877 177.342 175.328 0.229 0.000 0.957 60 H CA 1.152 57.349 56.048 0.248 0.000 1.170 60 H CB -0.787 29.110 29.762 0.225 0.000 1.458 60 H HN -0.011 nan 8.280 nan 0.000 0.491 61 F N 1.206 121.200 119.950 0.073 0.000 2.365 61 F HA 0.064 4.594 4.527 0.005 0.000 0.300 61 F C 2.207 177.989 175.800 -0.030 0.000 1.090 61 F CA 1.019 59.008 58.000 -0.019 0.000 1.408 61 F CB -1.206 37.846 39.000 0.086 0.000 1.060 61 F HN 0.220 nan 8.300 nan 0.000 0.534 62 S N -0.420 115.132 115.700 -0.246 0.000 2.368 62 S HA -0.209 4.263 4.470 0.004 0.000 0.224 62 S C 1.723 176.203 174.600 -0.200 0.000 1.029 62 S CA 0.912 58.970 58.200 -0.236 0.000 0.988 62 S CB -1.595 61.190 63.200 -0.692 0.000 0.838 62 S HN 0.599 nan 8.310 nan 0.000 0.462 63 W N 2.360 123.669 121.300 0.015 0.000 2.465 63 W HA 0.117 4.780 4.660 0.005 0.000 0.268 63 W C 2.741 179.305 176.519 0.076 0.000 1.242 63 W CA 0.452 57.833 57.345 0.060 0.000 1.248 63 W CB -0.272 29.227 29.460 0.065 0.000 1.118 63 W HN 0.413 nan 8.180 nan 0.000 0.587 64 Q N 0.104 120.038 119.800 0.223 0.000 2.245 64 Q HA -0.052 4.290 4.340 0.004 0.000 0.201 64 Q C 2.073 178.184 176.000 0.185 0.000 0.955 64 Q CA 0.865 56.767 55.803 0.165 0.000 0.870 64 Q CB -0.347 28.437 28.738 0.077 0.000 0.945 64 Q HN 0.401 nan 8.270 nan 0.000 0.461 65 L N 0.205 121.550 121.223 0.203 0.000 2.217 65 L HA -0.079 4.264 4.340 0.004 0.000 0.211 65 L C 1.614 178.620 176.870 0.227 0.000 1.107 65 L CA 0.597 55.563 54.840 0.210 0.000 0.783 65 L CB -0.034 42.170 42.059 0.242 0.000 0.919 65 L HN 0.205 nan 8.230 nan 0.000 0.442 66 L N -0.233 121.136 121.223 0.243 0.000 2.645 66 L HA 0.059 4.402 4.340 0.004 0.000 0.234 66 L C 0.509 177.621 176.870 0.404 0.000 1.165 66 L CA -0.065 55.000 54.840 0.375 0.000 0.944 66 L CB -0.302 41.971 42.059 0.357 0.000 1.149 66 L HN 0.289 nan 8.230 nan 0.000 0.446 67 Q N 1.062 121.022 119.800 0.267 0.000 2.299 67 Q HA 0.125 4.467 4.340 0.004 0.000 0.246 67 Q C -1.238 174.844 176.000 0.136 0.000 0.935 67 Q CA -1.718 54.191 55.803 0.176 0.000 0.887 67 Q CB 1.101 29.925 28.738 0.143 0.000 1.223 67 Q HN -0.076 nan 8.270 nan 0.000 0.439 68 P HA -0.241 nan 4.420 nan 0.000 0.223 68 P C 0.468 177.800 177.300 0.055 0.000 1.144 68 P CA 1.181 64.287 63.100 0.010 0.000 0.783 68 P CB 0.378 32.060 31.700 -0.031 0.000 0.771 69 D N 0.336 120.779 120.400 0.072 0.000 2.218 69 D HA -0.089 4.553 4.640 0.004 0.000 0.204 69 D C 0.529 176.883 176.300 0.090 0.000 0.976 69 D CA 1.006 55.050 54.000 0.074 0.000 0.853 69 D CB 0.164 41.010 40.800 0.077 0.000 0.939 69 D HN 0.240 nan 8.370 nan 0.000 0.481 70 K N 0.076 120.549 120.400 0.122 0.000 2.281 70 K HA 0.341 4.664 4.320 0.004 0.000 0.242 70 K C -0.105 176.592 176.600 0.162 0.000 0.971 70 K CA -1.030 55.340 56.287 0.139 0.000 0.834 70 K CB 2.157 34.751 32.500 0.156 0.000 1.181 70 K HN -0.247 nan 8.250 nan 0.000 0.435 71 V N 2.658 122.667 119.914 0.159 0.000 3.061 71 V HA -0.095 4.028 4.120 0.004 0.000 0.306 71 V C -1.323 174.894 176.094 0.205 0.000 1.118 71 V CA -0.514 61.887 62.300 0.168 0.000 1.231 71 V CB 0.387 32.316 31.823 0.175 0.000 0.956 71 V HN 0.669 nan 8.190 nan 0.000 0.499 72 P HA -0.160 nan 4.420 nan 0.000 0.215 72 P C 1.520 178.947 177.300 0.212 0.000 1.157 72 P CA 1.217 64.443 63.100 0.210 0.000 0.868 72 P CB 0.032 31.829 31.700 0.163 0.000 0.788 73 E N -0.139 120.164 120.200 0.171 0.000 2.338 73 E HA -0.133 4.219 4.350 0.004 0.000 0.197 73 E C 1.898 178.713 176.600 0.359 0.000 1.007 73 E CA 1.058 57.558 56.400 0.167 0.000 0.849 73 E CB -1.048 28.622 29.700 -0.051 0.000 0.774 73 E HN 0.305 nan 8.360 nan 0.000 0.506 74 I N 1.074 121.839 120.570 0.324 0.000 2.235 74 I HA -0.237 3.936 4.170 0.004 0.000 0.241 74 I C 2.697 178.996 176.117 0.305 0.000 1.085 74 I CA 0.980 62.469 61.300 0.315 0.000 1.378 74 I CB -0.289 37.858 38.000 0.244 0.000 1.076 74 I HN 0.047 nan 8.210 nan 0.000 0.415 75 Q N -0.008 119.952 119.800 0.266 0.000 2.152 75 Q HA -0.300 4.043 4.340 0.004 0.000 0.206 75 Q C 2.143 178.212 176.000 0.115 0.000 0.985 75 Q CA 2.144 58.077 55.803 0.215 0.000 0.863 75 Q CB -0.529 28.375 28.738 0.277 0.000 0.904 75 Q HN 0.491 nan 8.270 nan 0.000 0.422 76 Y N 0.673 121.018 120.300 0.074 0.000 2.069 76 Y HA -0.337 4.216 4.550 0.004 0.000 0.278 76 Y C 2.011 177.948 175.900 0.062 0.000 1.175 76 Y CA 1.859 59.971 58.100 0.021 0.000 1.134 76 Y CB -0.539 37.951 38.460 0.049 0.000 0.965 76 Y HN 0.127 nan 8.280 nan 0.000 0.498 77 F N 0.468 120.445 119.950 0.045 0.000 2.126 77 F HA -0.134 4.396 4.527 0.005 0.000 0.299 77 F C 2.371 178.095 175.800 -0.126 0.000 1.096 77 F CA 1.854 59.849 58.000 -0.009 0.000 1.255 77 F CB -0.934 38.131 39.000 0.109 0.000 0.997 77 F HN 0.089 nan 8.300 nan 0.000 0.479 78 G N -0.343 108.447 108.800 -0.016 0.000 2.446 78 G HA2 -0.290 3.673 3.960 0.004 0.000 0.217 78 G HA3 -0.290 3.673 3.960 0.004 0.000 0.217 78 G C 1.817 176.446 174.900 -0.451 0.000 1.168 78 G CA 0.949 45.938 45.100 -0.184 0.000 0.771 78 G HN 0.603 nan 8.290 nan 0.000 0.551 79 A N 0.150 122.696 122.820 -0.456 0.000 1.969 79 A HA 0.077 4.399 4.320 0.004 0.000 0.218 79 A C 2.602 179.879 177.584 -0.512 0.000 1.169 79 A CA 2.125 53.867 52.037 -0.492 0.000 0.635 79 A CB -0.631 18.078 19.000 -0.485 0.000 0.810 79 A HN 0.412 nan 8.150 nan 0.000 0.445 80 S N -0.368 114.945 115.700 -0.645 0.000 2.368 80 S HA -0.033 4.440 4.470 0.004 0.000 0.225 80 S C 2.196 176.496 174.600 -0.500 0.000 1.030 80 S CA 1.512 59.383 58.200 -0.550 0.000 0.999 80 S CB -0.431 62.430 63.200 -0.565 0.000 0.844 80 S HN 0.774 nan 8.310 nan 0.000 0.459 81 A N 1.470 123.860 122.820 -0.717 0.000 1.877 81 A HA 0.036 4.359 4.320 0.004 0.000 0.216 81 A C 2.185 179.411 177.584 -0.598 0.000 1.186 81 A CA 1.467 53.080 52.037 -0.707 0.000 0.620 81 A CB -0.902 17.613 19.000 -0.808 0.000 0.822 81 A HN 0.561 nan 8.150 nan 0.000 0.443 82 L N -1.071 119.796 121.223 -0.593 0.000 2.079 82 L HA -0.247 4.096 4.340 0.004 0.000 0.210 82 L C 2.729 179.439 176.870 -0.267 0.000 1.081 82 L CA 1.781 56.315 54.840 -0.510 0.000 0.752 82 L CB -0.722 41.044 42.059 -0.489 0.000 0.896 82 L HN 0.684 nan 8.230 nan 0.000 0.433 83 H N 0.354 119.255 119.070 -0.282 0.000 2.389 83 H HA -0.115 4.443 4.556 0.004 0.000 0.299 83 H C 2.291 177.548 175.328 -0.117 0.000 1.081 83 H CA 1.591 57.540 56.048 -0.164 0.000 1.345 83 H CB 0.236 29.893 29.762 -0.174 0.000 1.393 83 H HN 0.314 nan 8.280 nan 0.000 0.520 84 I N 0.860 121.172 120.570 -0.431 0.000 2.286 84 I HA -0.221 3.952 4.170 0.004 0.000 0.245 84 I C 2.535 178.572 176.117 -0.134 0.000 1.104 84 I CA 1.003 62.088 61.300 -0.358 0.000 1.397 84 I CB -0.098 37.774 38.000 -0.213 0.000 1.072 84 I HN 0.191 nan 8.210 nan 0.000 0.417 85 K N 0.806 121.093 120.400 -0.187 0.000 2.057 85 K HA -0.122 4.200 4.320 0.004 0.000 0.207 85 K C 2.041 178.742 176.600 0.170 0.000 1.049 85 K CA 1.380 57.637 56.287 -0.049 0.000 0.931 85 K CB -0.135 32.064 32.500 -0.502 0.000 0.714 85 K HN 0.299 nan 8.250 nan 0.000 0.440 86 I N 1.001 121.634 120.570 0.106 0.000 2.252 86 I HA -0.246 3.927 4.170 0.004 0.000 0.245 86 I C 2.524 178.769 176.117 0.213 0.000 1.102 86 I CA 1.392 62.868 61.300 0.294 0.000 1.385 86 I CB -0.330 37.833 38.000 0.271 0.000 1.064 86 I HN 0.194 nan 8.210 nan 0.000 0.414 87 S N 0.173 115.851 115.700 -0.036 0.000 2.470 87 S HA 0.037 4.509 4.470 0.004 0.000 0.225 87 S C 1.954 176.487 174.600 -0.112 0.000 1.006 87 S CA 0.222 58.355 58.200 -0.111 0.000 0.934 87 S CB -0.003 63.039 63.200 -0.264 0.000 0.778 87 S HN 0.381 nan 8.310 nan 0.000 0.517 88 R N -0.990 119.444 120.500 -0.109 0.000 2.476 88 R HA 0.300 4.643 4.340 0.004 0.000 0.276 88 R C -0.624 175.330 176.300 -0.577 0.000 0.941 88 R CA 0.108 56.025 56.100 -0.306 0.000 1.088 88 R CB 0.605 30.673 30.300 -0.387 0.000 1.216 88 R HN 0.472 nan 8.270 nan 0.000 0.533 89 Y N -1.173 119.170 120.300 0.073 0.000 2.658 89 Y HA 0.075 4.627 4.550 0.004 0.000 0.273 89 Y C 0.817 176.831 175.900 0.189 0.000 0.992 89 Y CA -1.139 57.021 58.100 0.101 0.000 1.105 89 Y CB -0.045 38.449 38.460 0.056 0.000 1.188 89 Y HN 0.169 nan 8.280 nan 0.000 0.616 90 W N 1.390 122.747 121.300 0.095 0.000 2.338 90 W HA -0.264 4.398 4.660 0.003 0.000 0.304 90 W C 1.852 178.449 176.519 0.130 0.000 1.212 90 W CA 2.429 59.838 57.345 0.107 0.000 1.264 90 W CB -0.161 29.320 29.460 0.034 0.000 1.142 90 W HN 0.393 nan 8.180 nan 0.000 0.512 91 S N -0.075 115.713 115.700 0.146 0.000 2.442 91 S HA -0.204 4.269 4.470 0.004 0.000 0.236 91 S C 0.955 175.537 174.600 -0.030 0.000 1.007 91 S CA 1.572 59.793 58.200 0.035 0.000 0.965 91 S CB -0.596 62.660 63.200 0.094 0.000 0.773 91 S HN 0.126 nan 8.310 nan 0.000 0.504 92 D N 1.083 121.502 120.400 0.032 0.000 2.319 92 D HA 0.308 4.951 4.640 0.004 0.000 0.230 92 D C -0.141 176.120 176.300 -0.066 0.000 1.094 92 D CA 0.171 54.188 54.000 0.029 0.000 0.856 92 D CB -0.044 40.841 40.800 0.141 0.000 0.915 92 D HN 0.496 nan 8.370 nan 0.000 0.517 93 I N 1.832 122.278 120.570 -0.206 0.000 2.354 93 I HA 0.222 4.395 4.170 0.004 0.000 0.286 93 I C -2.249 173.653 176.117 -0.360 0.000 1.007 93 I CA -2.112 58.992 61.300 -0.327 0.000 1.167 93 I CB 1.774 39.522 38.000 -0.421 0.000 1.320 93 I HN -0.395 nan 8.210 nan 0.000 0.458 94 P HA 0.025 nan 4.420 nan 0.000 0.268 94 P C 1.092 178.013 177.300 -0.633 0.000 1.205 94 P CA -0.124 62.748 63.100 -0.380 0.000 0.771 94 P CB 0.669 32.184 31.700 -0.309 0.000 0.858 95 T N -1.233 112.873 114.554 -0.746 0.000 2.849 95 T HA -0.209 4.144 4.350 0.004 0.000 0.270 95 T C 1.154 175.342 174.700 -0.855 0.000 1.066 95 T CA 1.469 62.800 62.100 -1.280 0.000 1.130 95 T CB -0.790 67.665 68.868 -0.688 0.000 0.864 95 T HN 0.465 nan 8.240 nan 0.000 0.481 96 D N 0.424 120.534 120.400 -0.483 0.000 2.392 96 D HA -0.096 4.547 4.640 0.004 0.000 0.228 96 D C 1.795 177.930 176.300 -0.275 0.000 1.003 96 D CA 0.520 54.335 54.000 -0.309 0.000 0.917 96 D CB -0.300 40.367 40.800 -0.222 0.000 0.890 96 D HN 0.354 nan 8.370 nan 0.000 0.532 97 Q N -0.719 118.874 119.800 -0.345 0.000 2.378 97 Q HA 0.073 4.415 4.340 0.004 0.000 0.216 97 Q C 1.884 177.861 176.000 -0.039 0.000 0.892 97 Q CA 0.020 55.689 55.803 -0.224 0.000 0.931 97 Q CB -0.271 28.276 28.738 -0.319 0.000 1.086 97 Q HN 0.565 nan 8.270 nan 0.000 0.528 98 Y N 1.731 121.949 120.300 -0.137 0.000 1.993 98 Y HA -0.294 4.258 4.550 0.004 0.000 0.267 98 Y C 2.245 178.107 175.900 -0.064 0.000 1.155 98 Y CA 0.807 58.872 58.100 -0.058 0.000 1.105 98 Y CB -0.003 38.453 38.460 -0.006 0.000 0.960 98 Y HN 0.153 nan 8.280 nan 0.000 0.486 99 E N 0.261 120.511 120.200 0.083 0.000 2.085 99 E HA -0.171 4.181 4.350 0.004 0.000 0.194 99 E C 2.227 178.809 176.600 -0.030 0.000 0.994 99 E CA 1.585 57.968 56.400 -0.028 0.000 0.801 99 E CB -0.583 29.083 29.700 -0.056 0.000 0.743 99 E HN 0.503 nan 8.360 nan 0.000 0.453 100 S N 0.555 116.234 115.700 -0.034 0.000 2.453 100 S HA -0.072 4.401 4.470 0.004 0.000 0.231 100 S C 1.976 176.558 174.600 -0.030 0.000 1.005 100 S CA 0.499 58.666 58.200 -0.054 0.000 0.949 100 S CB -0.170 62.978 63.200 -0.086 0.000 0.774 100 S HN 0.109 nan 8.310 nan 0.000 0.510 101 L N 1.731 122.974 121.223 0.033 0.000 2.095 101 L HA 0.249 4.592 4.340 0.004 0.000 0.204 101 L C 2.432 179.397 176.870 0.158 0.000 1.080 101 L CA 1.638 56.560 54.840 0.137 0.000 0.759 101 L CB -0.797 41.375 42.059 0.189 0.000 0.914 101 L HN 0.242 nan 8.230 nan 0.000 0.439 102 K N -0.461 119.999 120.400 0.100 0.000 2.020 102 K HA -0.231 4.092 4.320 0.004 0.000 0.212 102 K C 1.980 178.690 176.600 0.182 0.000 1.050 102 K CA 1.748 58.083 56.287 0.080 0.000 0.929 102 K CB -0.316 32.129 32.500 -0.092 0.000 0.714 102 K HN 0.423 nan 8.250 nan 0.000 0.443 103 A N 1.130 124.024 122.820 0.125 0.000 1.908 103 A HA -0.224 4.099 4.320 0.004 0.000 0.218 103 A C 2.026 179.677 177.584 0.112 0.000 1.181 103 A CA 1.634 53.750 52.037 0.132 0.000 0.627 103 A CB -0.527 18.476 19.000 0.006 0.000 0.818 103 A HN 0.508 nan 8.150 nan 0.000 0.445 104 Q N -0.653 119.152 119.800 0.010 0.000 2.167 104 Q HA -0.042 4.300 4.340 0.004 0.000 0.202 104 Q C 2.083 178.171 176.000 0.147 0.000 0.970 104 Q CA 1.086 56.813 55.803 -0.127 0.000 0.855 104 Q CB -0.252 28.106 28.738 -0.632 0.000 0.911 104 Q HN 0.691 nan 8.270 nan 0.000 0.438 105 L N -0.626 120.768 121.223 0.285 0.000 2.056 105 L HA -0.154 4.189 4.340 0.004 0.000 0.207 105 L C 2.172 179.180 176.870 0.230 0.000 1.078 105 L CA 0.891 55.923 54.840 0.319 0.000 0.749 105 L CB -0.397 41.785 42.059 0.207 0.000 0.901 105 L HN 0.151 nan 8.230 nan 0.000 0.433 106 F N 0.605 120.648 119.950 0.154 0.000 2.069 106 F HA -0.274 4.261 4.527 0.013 0.000 0.298 106 F C 2.729 178.577 175.800 0.080 0.000 1.113 106 F CA 1.986 60.031 58.000 0.075 0.000 1.214 106 F CB -1.017 37.949 39.000 -0.058 0.000 0.978 106 F HN -0.000 nan 8.300 nan 0.000 0.474 107 T N -0.516 114.201 114.554 0.272 0.000 2.635 107 T HA -0.239 4.113 4.350 0.004 0.000 0.267 107 T C 1.975 176.816 174.700 0.235 0.000 1.040 107 T CA 1.576 63.784 62.100 0.181 0.000 1.156 107 T CB -0.276 68.649 68.868 0.095 0.000 0.863 107 T HN 0.187 nan 8.240 nan 0.000 0.430 108 Q N 0.189 120.171 119.800 0.303 0.000 2.170 108 Q HA 0.048 4.391 4.340 0.004 0.000 0.203 108 Q C 2.404 178.668 176.000 0.440 0.000 0.976 108 Q CA 0.956 57.002 55.803 0.405 0.000 0.858 108 Q CB -0.416 28.637 28.738 0.524 0.000 0.907 108 Q HN 0.575 nan 8.270 nan 0.000 0.433 109 I N 0.204 121.002 120.570 0.380 0.000 2.252 109 I HA -0.229 3.943 4.170 0.004 0.000 0.245 109 I C 2.068 178.433 176.117 0.413 0.000 1.102 109 I CA 1.158 62.694 61.300 0.392 0.000 1.385 109 I CB -0.320 37.936 38.000 0.426 0.000 1.064 109 I HN 0.134 nan 8.210 nan 0.000 0.414 110 T N 0.350 115.140 114.554 0.394 0.000 2.746 110 T HA -0.173 4.179 4.350 0.004 0.000 0.267 110 T C 2.052 176.891 174.700 0.230 0.000 1.039 110 T CA 1.253 63.555 62.100 0.336 0.000 1.142 110 T CB -0.233 68.776 68.868 0.235 0.000 0.866 110 T HN 0.276 nan 8.240 nan 0.000 0.444 111 R N -0.144 120.471 120.500 0.193 0.000 2.081 111 R HA 0.033 4.375 4.340 0.004 0.000 0.235 111 R C 1.765 178.064 176.300 -0.001 0.000 1.131 111 R CA 1.161 57.303 56.100 0.069 0.000 0.960 111 R CB -0.371 29.937 30.300 0.014 0.000 0.856 111 R HN 0.358 nan 8.270 nan 0.000 0.436 112 F N 0.345 120.378 119.950 0.138 0.000 2.816 112 F HA 0.067 4.596 4.527 0.003 0.000 0.302 112 F C 1.992 177.855 175.800 0.105 0.000 1.178 112 F CA 0.150 58.221 58.000 0.118 0.000 1.421 112 F CB 0.037 39.108 39.000 0.118 0.000 1.114 112 F HN 0.084 nan 8.300 nan 0.000 0.573 113 A N -0.728 122.224 122.820 0.219 0.000 1.933 113 A HA -0.154 4.168 4.320 0.004 0.000 0.218 113 A C 2.346 180.002 177.584 0.120 0.000 1.175 113 A CA 2.085 54.221 52.037 0.165 0.000 0.628 113 A CB -0.683 18.406 19.000 0.149 0.000 0.814 113 A HN 0.299 nan 8.150 nan 0.000 0.444 114 S N -0.468 115.283 115.700 0.084 0.000 2.425 114 S HA 0.202 4.674 4.470 0.004 0.000 0.225 114 S C 1.369 176.008 174.600 0.064 0.000 1.024 114 S CA 0.397 58.629 58.200 0.053 0.000 0.951 114 S CB -0.277 62.932 63.200 0.015 0.000 0.796 114 S HN 0.755 nan 8.310 nan 0.000 0.498 115 G N 0.970 109.819 108.800 0.082 0.000 2.509 115 G HA2 0.380 4.343 3.960 0.004 0.000 0.269 115 G HA3 0.380 4.343 3.960 0.004 0.000 0.269 115 G C -0.256 174.810 174.900 0.276 0.000 1.416 115 G CA -0.498 44.697 45.100 0.158 0.000 1.052 115 G HN 0.254 nan 8.290 nan 0.000 0.542 116 S N -0.683 115.229 115.700 0.353 0.000 2.626 116 S HA 0.305 4.778 4.470 0.004 0.000 0.303 116 S C 1.791 176.511 174.600 0.201 0.000 1.256 116 S CA 0.724 59.071 58.200 0.245 0.000 1.069 116 S CB 0.415 63.755 63.200 0.234 0.000 0.807 116 S HN 0.915 nan 8.310 nan 0.000 0.500 117 K N 4.900 125.373 120.400 0.122 0.000 2.217 117 K HA 0.044 4.367 4.320 0.004 0.000 0.202 117 K C 1.657 178.295 176.600 0.063 0.000 1.051 117 K CA 1.613 57.953 56.287 0.088 0.000 0.952 117 K CB -0.820 31.715 32.500 0.058 0.000 0.736 117 K HN 0.858 nan 8.250 nan 0.000 0.453 118 I N 0.257 120.861 120.570 0.056 0.000 2.252 118 I HA -0.201 3.971 4.170 0.004 0.000 0.245 118 I C 2.270 178.478 176.117 0.152 0.000 1.102 118 I CA 0.923 62.255 61.300 0.053 0.000 1.385 118 I CB -0.264 37.714 38.000 -0.038 0.000 1.064 118 I HN 0.080 nan 8.210 nan 0.000 0.414 119 V N 0.933 120.911 119.914 0.106 0.000 2.379 119 V HA -0.232 3.891 4.120 0.004 0.000 0.245 119 V C 2.440 178.420 176.094 -0.190 0.000 1.044 119 V CA 1.520 63.771 62.300 -0.082 0.000 1.036 119 V CB -0.478 31.096 31.823 -0.415 0.000 0.664 119 V HN 0.370 nan 8.190 nan 0.000 0.453 120 L N 0.152 121.331 121.223 -0.073 0.000 2.079 120 L HA -0.189 4.153 4.340 0.004 0.000 0.210 120 L C 2.375 179.242 176.870 -0.004 0.000 1.081 120 L CA 2.566 57.415 54.840 0.014 0.000 0.752 120 L CB -0.909 41.218 42.059 0.113 0.000 0.896 120 L HN 0.350 nan 8.230 nan 0.000 0.433 121 T N -0.914 113.640 114.554 -0.000 0.000 2.737 121 T HA -0.178 4.174 4.350 0.004 0.000 0.265 121 T C 2.010 176.675 174.700 -0.057 0.000 1.038 121 T CA 1.446 63.537 62.100 -0.014 0.000 1.144 121 T CB -0.271 68.600 68.868 0.004 0.000 0.866 121 T HN 0.195 nan 8.240 nan 0.000 0.434 122 R N 1.145 121.604 120.500 -0.067 0.000 2.096 122 R HA 0.112 4.454 4.340 0.004 0.000 0.235 122 R C 2.203 178.391 176.300 -0.188 0.000 1.127 122 R CA 1.233 57.230 56.100 -0.172 0.000 0.968 122 R CB -1.088 29.030 30.300 -0.302 0.000 0.861 122 R HN 0.403 nan 8.270 nan 0.000 0.440 123 L N -1.004 120.124 121.223 -0.158 0.000 2.046 123 L HA -0.244 4.099 4.340 0.004 0.000 0.208 123 L C 2.485 179.332 176.870 -0.038 0.000 1.077 123 L CA 1.367 56.147 54.840 -0.099 0.000 0.747 123 L CB -0.435 41.591 42.059 -0.056 0.000 0.896 123 L HN 0.275 nan 8.230 nan 0.000 0.432 124 C N -1.085 118.196 119.300 -0.031 0.000 2.429 124 C HA -0.129 4.334 4.460 0.004 0.000 0.277 124 C C 2.825 177.790 174.990 -0.043 0.000 1.262 124 C CA 0.481 59.490 59.018 -0.016 0.000 1.733 124 C CB -0.438 27.294 27.740 -0.013 0.000 2.010 124 C HN 0.339 nan 8.230 nan 0.000 0.483 125 V N 1.223 121.077 119.914 -0.101 0.000 2.392 125 V HA -0.238 3.885 4.120 0.004 0.000 0.249 125 V C 2.623 178.680 176.094 -0.063 0.000 1.059 125 V CA 2.196 64.402 62.300 -0.158 0.000 1.051 125 V CB -1.178 30.427 31.823 -0.363 0.000 0.658 125 V HN 0.622 nan 8.190 nan 0.000 0.455 126 A N 0.015 122.820 122.820 -0.025 0.000 1.835 126 A HA -0.213 4.109 4.320 0.004 0.000 0.215 126 A C 2.145 179.789 177.584 0.100 0.000 1.199 126 A CA 2.127 54.221 52.037 0.095 0.000 0.615 126 A CB -0.769 18.252 19.000 0.034 0.000 0.838 126 A HN 0.455 nan 8.150 nan 0.000 0.444 127 L N -0.300 120.961 121.223 0.062 0.000 2.261 127 L HA -0.077 4.265 4.340 0.004 0.000 0.216 127 L C 2.438 179.357 176.870 0.083 0.000 1.114 127 L CA 2.031 56.909 54.840 0.065 0.000 0.777 127 L CB -0.622 41.412 42.059 -0.040 0.000 0.910 127 L HN 0.361 nan 8.230 nan 0.000 0.440 128 A N -2.066 120.781 122.820 0.044 0.000 1.970 128 A HA -0.056 4.266 4.320 0.004 0.000 0.216 128 A C 2.366 179.964 177.584 0.022 0.000 1.170 128 A CA 1.386 53.434 52.037 0.019 0.000 0.645 128 A CB -0.561 18.428 19.000 -0.018 0.000 0.816 128 A HN 0.469 nan 8.150 nan 0.000 0.447 129 S N -0.381 115.352 115.700 0.055 0.000 2.371 129 S HA -0.096 4.376 4.470 0.004 0.000 0.224 129 S C 1.877 176.460 174.600 -0.028 0.000 1.029 129 S CA 1.269 59.484 58.200 0.024 0.000 0.978 129 S CB -0.396 62.859 63.200 0.091 0.000 0.833 129 S HN 0.519 nan 8.310 nan 0.000 0.466 130 L N 2.280 123.549 121.223 0.077 0.000 1.990 130 L HA -0.118 4.224 4.340 0.004 0.000 0.213 130 L C 2.351 179.280 176.870 0.097 0.000 1.072 130 L CA 2.155 57.068 54.840 0.121 0.000 0.755 130 L CB -1.105 41.103 42.059 0.248 0.000 0.889 130 L HN 0.244 nan 8.230 nan 0.000 0.432 131 A N -0.339 122.601 122.820 0.200 0.000 1.873 131 A HA -0.232 4.091 4.320 0.004 0.000 0.218 131 A C 2.265 179.841 177.584 -0.014 0.000 1.193 131 A CA 2.342 54.483 52.037 0.173 0.000 0.629 131 A CB -1.162 17.822 19.000 -0.027 0.000 0.826 131 A HN 0.550 nan 8.150 nan 0.000 0.447 132 L N -0.148 121.032 121.223 -0.072 0.000 2.275 132 L HA -0.060 4.282 4.340 0.004 0.000 0.215 132 L C 1.283 178.036 176.870 -0.194 0.000 1.119 132 L CA 0.181 54.960 54.840 -0.102 0.000 0.790 132 L CB -0.462 41.556 42.059 -0.069 0.000 0.919 132 L HN 0.236 nan 8.230 nan 0.000 0.443 137 D N 0.747 121.198 120.400 0.085 0.000 2.584 137 D HA 0.475 5.117 4.640 0.004 0.000 0.254 137 D C 1.890 178.278 176.300 0.147 0.000 1.085 137 D CA 1.451 55.515 54.000 0.107 0.000 0.971 137 D CB -0.641 40.223 40.800 0.106 0.000 1.103 137 D HN 0.310 nan 8.370 nan 0.000 0.453 138 A N -1.383 121.549 122.820 0.187 0.000 1.897 138 A HA 0.186 4.509 4.320 0.004 0.000 0.215 138 A C 1.015 178.770 177.584 0.284 0.000 1.181 138 A CA 1.167 53.340 52.037 0.228 0.000 0.620 138 A CB -0.283 18.885 19.000 0.280 0.000 0.821 138 A HN 0.580 nan 8.150 nan 0.000 0.443 139 W N 1.658 123.005 121.300 0.078 0.000 2.351 139 W HA 0.507 5.166 4.660 -0.001 0.000 0.320 139 W C -2.316 174.238 176.519 0.058 0.000 0.947 139 W CA -3.222 54.168 57.345 0.075 0.000 1.565 139 W CB 0.720 30.224 29.460 0.074 0.000 1.409 139 W HN 0.159 nan 8.180 nan 0.000 0.399 140 P HA -0.136 nan 4.420 nan 0.000 0.214 140 P C 0.194 177.518 177.300 0.041 0.000 1.163 140 P CA 1.593 64.780 63.100 0.145 0.000 0.883 140 P CB 0.262 32.048 31.700 0.143 0.000 0.788 141 C N -0.566 118.770 119.300 0.060 0.000 2.439 141 C HA 0.702 5.164 4.460 0.004 0.000 0.298 141 C C 1.734 176.575 174.990 -0.248 0.000 1.094 141 C CA -0.445 58.541 59.018 -0.052 0.000 1.609 141 C CB -0.828 26.936 27.740 0.040 0.000 1.723 141 C HN 0.264 nan 8.230 nan 0.000 0.423 142 A N 1.887 124.308 122.820 -0.665 0.000 1.832 142 A HA -0.035 4.287 4.320 0.004 0.000 0.214 142 A C 2.130 179.440 177.584 -0.457 0.000 1.200 142 A CA 1.889 53.187 52.037 -1.232 0.000 0.610 142 A CB -0.631 17.541 19.000 -1.379 0.000 0.842 142 A HN 0.502 nan 8.150 nan 0.000 0.444 143 V N 0.261 120.025 119.914 -0.251 0.000 2.252 143 V HA -0.319 3.804 4.120 0.004 0.000 0.249 143 V C 3.058 179.159 176.094 0.011 0.000 1.056 143 V CA 2.265 64.535 62.300 -0.051 0.000 1.022 143 V CB -1.493 30.328 31.823 -0.003 0.000 0.641 143 V HN 0.626 nan 8.190 nan 0.000 0.445 144 A N -0.625 122.188 122.820 -0.011 0.000 1.940 144 A HA -0.159 4.164 4.320 0.004 0.000 0.219 144 A C 1.198 178.837 177.584 0.092 0.000 1.176 144 A CA 1.589 53.644 52.037 0.030 0.000 0.631 144 A CB -0.547 18.463 19.000 0.016 0.000 0.814 144 A HN 0.585 nan 8.150 nan 0.000 0.446 148 R N 0.660 121.230 120.500 0.116 0.000 2.096 148 R HA -0.043 4.300 4.340 0.004 0.000 0.240 148 R C 1.972 178.289 176.300 0.027 0.000 1.139 148 R CA 2.419 58.558 56.100 0.066 0.000 0.952 148 R CB -1.343 28.987 30.300 0.050 0.000 0.854 148 R HN 0.604 nan 8.270 nan 0.000 0.436 149 L N -1.575 119.637 121.223 -0.019 0.000 2.027 149 L HA 0.023 4.365 4.340 0.004 0.000 0.206 149 L C 2.612 179.367 176.870 -0.192 0.000 1.074 149 L CA 1.322 56.033 54.840 -0.215 0.000 0.745 149 L CB -0.359 41.367 42.059 -0.555 0.000 0.898 149 L HN 0.346 nan 8.230 nan 0.000 0.433 150 F N -0.223 119.745 119.950 0.030 0.000 2.451 150 F HA -0.087 4.440 4.527 0.001 0.000 0.299 150 F C 1.231 177.066 175.800 0.058 0.000 1.101 150 F CA 0.431 58.482 58.000 0.086 0.000 1.436 150 F CB 0.113 39.212 39.000 0.165 0.000 1.074 150 F HN 0.129 nan 8.300 nan 0.000 0.553 151 Q N 0.843 120.756 119.800 0.189 0.000 2.360 151 Q HA 0.518 4.861 4.340 0.004 0.000 0.254 151 Q C 0.227 176.267 176.000 0.066 0.000 0.975 151 Q CA -0.059 55.818 55.803 0.123 0.000 0.912 151 Q CB 1.350 30.146 28.738 0.097 0.000 1.212 151 Q HN 0.282 nan 8.270 nan 0.000 0.452 160 Q N 0.430 120.262 119.800 0.053 0.000 2.049 160 Q HA 0.047 4.389 4.340 0.004 0.000 0.198 160 Q C 2.637 178.667 176.000 0.050 0.000 0.971 160 Q CA 1.545 57.375 55.803 0.044 0.000 0.833 160 Q CB -0.269 28.491 28.738 0.036 0.000 0.896 160 Q HN 0.407 nan 8.270 nan 0.000 0.434 161 G N 0.890 109.728 108.800 0.063 0.000 2.476 161 G HA2 -0.312 3.651 3.960 0.004 0.000 0.218 161 G HA3 -0.312 3.651 3.960 0.004 0.000 0.218 161 G C 1.361 176.314 174.900 0.089 0.000 1.164 161 G CA 0.938 46.083 45.100 0.075 0.000 0.768 161 G HN 0.251 nan 8.290 nan 0.000 0.560 162 R N -0.754 119.825 120.500 0.133 0.000 2.096 162 R HA -0.104 4.239 4.340 0.004 0.000 0.240 162 R C 2.654 178.989 176.300 0.059 0.000 1.139 162 R CA 1.410 57.639 56.100 0.216 0.000 0.952 162 R CB -1.035 29.430 30.300 0.275 0.000 0.854 162 R HN 0.431 nan 8.270 nan 0.000 0.436 163 C N 0.679 120.006 119.300 0.045 0.000 2.432 163 C HA -0.047 4.416 4.460 0.004 0.000 0.277 163 C C 2.438 177.391 174.990 -0.061 0.000 1.249 163 C CA 0.747 59.762 59.018 -0.005 0.000 1.725 163 C CB -0.968 26.786 27.740 0.023 0.000 2.028 163 C HN 0.461 nan 8.230 nan 0.000 0.477 164 L N 0.825 122.028 121.223 -0.034 0.000 2.201 164 L HA -0.069 4.274 4.340 0.004 0.000 0.212 164 L C 2.875 179.694 176.870 -0.085 0.000 1.105 164 L CA 1.344 56.163 54.840 -0.035 0.000 0.775 164 L CB -0.656 41.404 42.059 0.002 0.000 0.913 164 L HN 0.462 nan 8.230 nan 0.000 0.440 165 A N 0.315 123.046 122.820 -0.148 0.000 1.841 165 A HA -0.220 4.103 4.320 0.004 0.000 0.214 165 A C 2.179 179.457 177.584 -0.510 0.000 1.195 165 A CA 1.577 53.460 52.037 -0.257 0.000 0.611 165 A CB -0.816 18.054 19.000 -0.217 0.000 0.835 165 A HN 0.300 nan 8.150 nan 0.000 0.443 166 L N -0.067 120.635 121.223 -0.867 0.000 2.081 166 L HA -0.165 4.178 4.340 0.004 0.000 0.212 166 L C 2.181 178.925 176.870 -0.209 0.000 1.080 166 L CA 1.811 56.235 54.840 -0.694 0.000 0.754 166 L CB -0.544 41.262 42.059 -0.422 0.000 0.893 166 L HN 0.404 nan 8.230 nan 0.000 0.433 167 L N -0.820 120.322 121.223 -0.134 0.000 2.141 167 L HA -0.152 4.191 4.340 0.004 0.000 0.209 167 L C 2.548 179.418 176.870 -0.000 0.000 1.094 167 L CA 1.211 56.038 54.840 -0.022 0.000 0.763 167 L CB -0.483 41.570 42.059 -0.009 0.000 0.908 167 L HN 0.344 nan 8.230 nan 0.000 0.437 168 E N 0.727 120.901 120.200 -0.043 0.000 2.047 168 E HA -0.232 4.120 4.350 0.004 0.000 0.191 168 E C 2.015 178.608 176.600 -0.012 0.000 0.987 168 E CA 1.147 57.534 56.400 -0.021 0.000 0.799 168 E CB -0.257 29.427 29.700 -0.027 0.000 0.752 168 E HN 0.234 nan 8.360 nan 0.000 0.449 169 L N 0.256 121.461 121.223 -0.030 0.000 2.012 169 L HA -0.095 4.247 4.340 0.004 0.000 0.210 169 L C 2.141 179.042 176.870 0.052 0.000 1.073 169 L CA 1.721 56.568 54.840 0.011 0.000 0.748 169 L CB -0.441 41.641 42.059 0.038 0.000 0.891 169 L HN 0.272 nan 8.230 nan 0.000 0.431 170 L N -1.342 119.941 121.223 0.100 0.000 2.362 170 L HA -0.131 4.212 4.340 0.004 0.000 0.219 170 L C 2.072 179.087 176.870 0.242 0.000 1.134 170 L CA 1.099 56.081 54.840 0.237 0.000 0.807 170 L CB -0.678 41.558 42.059 0.295 0.000 0.927 170 L HN 0.329 nan 8.230 nan 0.000 0.447 171 T N -1.319 113.303 114.554 0.113 0.000 2.901 171 T HA -0.062 4.291 4.350 0.004 0.000 0.252 171 T C 1.924 176.589 174.700 -0.059 0.000 1.035 171 T CA 0.654 62.787 62.100 0.055 0.000 1.142 171 T CB 0.143 69.043 68.868 0.052 0.000 0.869 171 T HN -0.007 nan 8.240 nan 0.000 0.442 172 V N 2.040 121.925 119.914 -0.049 0.000 2.515 172 V HA -0.071 4.052 4.120 0.004 0.000 0.250 172 V C 2.329 178.356 176.094 -0.111 0.000 1.058 172 V CA 1.002 63.255 62.300 -0.078 0.000 1.064 172 V CB -0.489 31.297 31.823 -0.063 0.000 0.675 172 V HN 0.317 nan 8.190 nan 0.000 0.461 173 L N 2.075 123.229 121.223 -0.116 0.000 1.956 173 L HA -0.095 4.247 4.340 0.004 0.000 0.216 173 L C 0.020 176.739 176.870 -0.252 0.000 1.073 173 L CA 2.753 57.501 54.840 -0.152 0.000 0.762 173 L CB -1.877 40.108 42.059 -0.124 0.000 0.889 173 L HN 0.272 nan 8.230 nan 0.000 0.433 174 P HA -0.162 nan 4.420 nan 0.000 0.225 174 P C 1.021 178.183 177.300 -0.229 0.000 1.148 174 P CA 1.464 64.236 63.100 -0.548 0.000 0.779 174 P CB -0.057 31.016 31.700 -1.045 0.000 0.780 175 E N 0.060 120.150 120.200 -0.183 0.000 2.112 175 E HA -0.113 4.240 4.350 0.004 0.000 0.190 175 E C 1.905 178.462 176.600 -0.071 0.000 0.979 175 E CA 0.638 56.973 56.400 -0.108 0.000 0.814 175 E CB -0.169 29.470 29.700 -0.101 0.000 0.762 175 E HN 0.236 nan 8.360 nan 0.000 0.460 176 E N 0.425 120.585 120.200 -0.066 0.000 2.274 176 E HA -0.127 4.225 4.350 0.004 0.000 0.194 176 E C 1.666 178.244 176.600 -0.036 0.000 0.996 176 E CA 0.419 56.790 56.400 -0.048 0.000 0.840 176 E CB -0.183 29.493 29.700 -0.039 0.000 0.772 176 E HN 0.240 nan 8.360 nan 0.000 0.491 177 F N 1.892 121.741 119.950 -0.169 0.000 2.293 177 F HA -0.127 4.403 4.527 0.006 0.000 0.300 177 F C 1.987 177.703 175.800 -0.139 0.000 1.086 177 F CA 1.250 59.150 58.000 -0.167 0.000 1.375 177 F CB 0.166 39.038 39.000 -0.214 0.000 1.045 177 F HN -0.044 nan 8.300 nan 0.000 0.516 178 Q N -0.758 118.979 119.800 -0.106 0.000 2.432 178 Q HA -0.034 4.309 4.340 0.004 0.000 0.205 178 Q C 1.273 177.155 176.000 -0.196 0.000 0.945 178 Q CA 1.431 57.133 55.803 -0.169 0.000 0.924 178 Q CB 0.026 28.732 28.738 -0.053 0.000 1.016 178 Q HN 0.521 nan 8.270 nan 0.000 0.503 179 T N -3.613 110.835 114.554 -0.177 0.000 3.043 179 T HA 0.123 4.476 4.350 0.004 0.000 0.272 179 T C 0.700 175.305 174.700 -0.158 0.000 0.990 179 T CA -0.150 61.863 62.100 -0.145 0.000 0.897 179 T CB 0.365 69.178 68.868 -0.092 0.000 1.111 179 T HN 0.095 nan 8.240 nan 0.000 0.529 180 S N 0.923 116.500 115.700 -0.206 0.000 2.603 180 S HA 0.731 5.204 4.470 0.004 0.000 0.268 180 S C 0.310 174.782 174.600 -0.213 0.000 1.317 180 S CA -0.581 57.503 58.200 -0.195 0.000 1.012 180 S CB 0.755 63.831 63.200 -0.208 0.000 0.926 180 S HN 0.949 nan 8.310 nan 0.000 0.539 181 R N -0.132 120.259 120.500 -0.181 0.000 2.832 181 R HA 0.987 5.330 4.340 0.004 0.000 0.271 181 R C 0.300 176.500 176.300 -0.168 0.000 0.996 181 R CA -0.374 55.623 56.100 -0.171 0.000 0.977 181 R CB -0.751 29.460 30.300 -0.148 0.000 1.168 181 R HN 2.640 nan 8.270 nan 0.000 0.482 193 S N 1.069 116.800 115.700 0.053 0.000 2.554 193 S HA 0.444 4.917 4.470 0.004 0.000 0.290 193 S C 1.446 175.938 174.600 -0.180 0.000 1.309 193 S CA 0.524 58.715 58.200 -0.016 0.000 1.047 193 S CB 0.173 63.364 63.200 -0.014 0.000 0.828 193 S HN 1.627 nan 8.310 nan 0.000 0.509 194 L N 2.563 123.479 121.223 -0.513 0.000 2.307 194 L HA 0.307 4.650 4.340 0.004 0.000 0.211 194 L C 2.507 179.248 176.870 -0.214 0.000 1.099 194 L CA 1.890 56.436 54.840 -0.489 0.000 0.816 194 L CB -0.988 40.473 42.059 -0.996 0.000 0.952 194 L HN 0.801 nan 8.230 nan 0.000 0.455 195 A N -0.444 122.239 122.820 -0.229 0.000 1.940 195 A HA -0.266 4.057 4.320 0.004 0.000 0.221 195 A C 2.304 179.859 177.584 -0.048 0.000 1.190 195 A CA 2.366 54.364 52.037 -0.064 0.000 0.647 195 A CB -1.349 17.610 19.000 -0.068 0.000 0.821 195 A HN 0.280 nan 8.150 nan 0.000 0.457 196 V N 0.093 119.965 119.914 -0.070 0.000 2.546 196 V HA -0.210 3.913 4.120 0.004 0.000 0.254 196 V C 2.284 178.321 176.094 -0.096 0.000 1.076 196 V CA 2.170 64.425 62.300 -0.075 0.000 1.087 196 V CB -0.553 31.238 31.823 -0.054 0.000 0.674 196 V HN 0.562 nan 8.190 nan 0.000 0.470 197 E N -1.132 119.030 120.200 -0.064 0.000 2.481 197 E HA -0.108 4.245 4.350 0.004 0.000 0.195 197 E C 2.107 178.550 176.600 -0.261 0.000 1.047 197 E CA 0.920 57.268 56.400 -0.087 0.000 0.867 197 E CB -0.234 29.465 29.700 -0.000 0.000 0.858 197 E HN 0.801 nan 8.360 nan 0.000 0.513 198 C N -0.263 118.831 119.300 -0.345 0.000 2.432 198 C HA 0.049 4.512 4.460 0.004 0.000 0.280 198 C C 2.588 177.083 174.990 -0.824 0.000 1.353 198 C CA 0.958 59.426 59.018 -0.915 0.000 1.766 198 C CB -1.177 26.119 27.740 -0.739 0.000 1.924 198 C HN 0.409 nan 8.230 nan 0.000 0.509 199 G N 0.118 108.629 108.800 -0.481 0.000 2.501 199 G HA2 0.102 4.064 3.960 0.004 0.000 0.220 199 G HA3 0.102 4.064 3.960 0.004 0.000 0.220 199 G C 1.803 176.560 174.900 -0.238 0.000 1.114 199 G CA 1.024 45.933 45.100 -0.318 0.000 0.757 199 G HN 0.870 nan 8.290 nan 0.000 0.559 200 A N -0.343 122.312 122.820 -0.275 0.000 2.063 200 A HA 0.385 4.707 4.320 0.004 0.000 0.211 200 A C 2.434 179.895 177.584 -0.205 0.000 1.177 200 A CA 1.035 52.961 52.037 -0.186 0.000 0.759 200 A CB 0.038 18.951 19.000 -0.145 0.000 0.857 200 A HN 0.185 nan 8.150 nan 0.000 0.468 201 V N -0.672 119.005 119.914 -0.394 0.000 2.323 201 V HA -0.208 3.915 4.120 0.004 0.000 0.244 201 V C 2.271 178.321 176.094 -0.073 0.000 1.041 201 V CA 1.766 63.837 62.300 -0.381 0.000 1.025 201 V CB -1.317 29.896 31.823 -1.016 0.000 0.656 201 V HN 0.597 nan 8.190 nan 0.000 0.451 202 F N 0.259 120.009 119.950 -0.333 0.000 2.065 202 F HA -0.153 4.375 4.527 0.002 0.000 0.298 202 F C 0.397 176.107 175.800 -0.150 0.000 1.112 202 F CA 1.527 59.407 58.000 -0.201 0.000 1.212 202 F CB -1.713 37.196 39.000 -0.153 0.000 0.975 202 F HN 0.261 nan 8.300 nan 0.000 0.476 203 P HA -0.229 nan 4.420 nan 0.000 0.216 203 P C 1.705 178.995 177.300 -0.016 0.000 1.154 203 P CA 1.321 64.425 63.100 0.007 0.000 0.865 203 P CB -0.105 31.590 31.700 -0.007 0.000 0.789 204 L N -1.181 120.032 121.223 -0.017 0.000 2.046 204 L HA -0.144 4.199 4.340 0.004 0.000 0.208 204 L C 2.150 179.002 176.870 -0.031 0.000 1.077 204 L CA 1.771 56.600 54.840 -0.017 0.000 0.747 204 L CB -1.210 40.843 42.059 -0.009 0.000 0.896 204 L HN -0.115 nan 8.230 nan 0.000 0.432 205 L N -0.808 120.387 121.223 -0.046 0.000 2.017 205 L HA -0.213 4.130 4.340 0.004 0.000 0.208 205 L C 2.533 179.332 176.870 -0.118 0.000 1.073 205 L CA 1.664 56.453 54.840 -0.084 0.000 0.745 205 L CB -0.765 41.218 42.059 -0.127 0.000 0.894 205 L HN 0.329 nan 8.230 nan 0.000 0.432 206 E N -0.148 119.971 120.200 -0.135 0.000 2.038 206 E HA -0.311 4.042 4.350 0.004 0.000 0.195 206 E C 2.221 178.771 176.600 -0.084 0.000 1.000 206 E CA 1.468 57.788 56.400 -0.134 0.000 0.803 206 E CB -0.120 29.511 29.700 -0.115 0.000 0.750 206 E HN 0.399 nan 8.360 nan 0.000 0.448 207 Q N 0.470 120.236 119.800 -0.057 0.000 2.045 207 Q HA -0.227 4.115 4.340 0.004 0.000 0.206 207 Q C 2.278 178.258 176.000 -0.034 0.000 0.991 207 Q CA 1.437 57.218 55.803 -0.037 0.000 0.851 207 Q CB -0.104 28.620 28.738 -0.023 0.000 0.911 207 Q HN 0.297 nan 8.270 nan 0.000 0.418 208 L N -0.041 121.161 121.223 -0.035 0.000 2.093 208 L HA -0.195 4.148 4.340 0.004 0.000 0.208 208 L C 2.350 179.199 176.870 -0.035 0.000 1.085 208 L CA 0.427 55.251 54.840 -0.027 0.000 0.755 208 L CB -0.229 41.818 42.059 -0.021 0.000 0.904 208 L HN 0.273 nan 8.230 nan 0.000 0.435 209 L N -0.611 120.579 121.223 -0.055 0.000 2.179 209 L HA -0.129 4.213 4.340 0.004 0.000 0.208 209 L C 2.292 179.130 176.870 -0.053 0.000 1.096 209 L CA 1.497 56.301 54.840 -0.061 0.000 0.779 209 L CB -0.353 41.647 42.059 -0.098 0.000 0.922 209 L HN 0.237 nan 8.230 nan 0.000 0.443 210 Q N -0.870 118.898 119.800 -0.054 0.000 2.403 210 Q HA -0.017 4.326 4.340 0.004 0.000 0.203 210 Q C 0.525 176.508 176.000 -0.029 0.000 0.932 210 Q CA 0.030 55.807 55.803 -0.043 0.000 0.945 210 Q CB 0.252 28.961 28.738 -0.048 0.000 1.045 210 Q HN 0.425 nan 8.270 nan 0.000 0.511 211 Q N 0.081 119.867 119.800 -0.024 0.000 2.243 211 Q HA 0.153 4.495 4.340 0.004 0.000 0.252 211 Q C -2.006 173.987 176.000 -0.012 0.000 0.909 211 Q CA -2.145 53.648 55.803 -0.016 0.000 0.922 211 Q CB 1.412 30.142 28.738 -0.012 0.000 1.215 211 Q HN 0.104 nan 8.270 nan 0.000 0.427 212 P HA -0.157 nan 4.420 nan 0.000 0.216 212 P C 1.099 178.398 177.300 -0.002 0.000 1.153 212 P CA 1.293 64.390 63.100 -0.005 0.000 0.848 212 P CB 0.150 31.848 31.700 -0.004 0.000 0.787 213 S N -1.319 114.380 115.700 -0.001 0.000 2.547 213 S HA -0.018 4.455 4.470 0.004 0.000 0.235 213 S C 0.852 175.454 174.600 0.003 0.000 0.980 213 S CA 0.064 58.265 58.200 0.002 0.000 0.941 213 S CB -1.195 62.007 63.200 0.003 0.000 0.763 213 S HN 0.013 nan 8.310 nan 0.000 0.532 214 S N 3.756 119.457 115.700 0.001 0.000 2.564 214 S HA 0.456 4.929 4.470 0.004 0.000 0.278 214 S C -2.343 172.259 174.600 0.004 0.000 1.333 214 S CA -1.003 57.199 58.200 0.002 0.000 1.048 214 S CB 0.623 63.821 63.200 -0.003 0.000 0.900 214 S HN 0.384 nan 8.310 nan 0.000 0.505 215 P HA 0.329 nan 4.420 nan 0.000 0.274 215 P C 0.436 177.740 177.300 0.008 0.000 1.256 215 P CA -0.507 62.598 63.100 0.009 0.000 0.795 215 P CB 0.450 32.157 31.700 0.012 0.000 1.038 216 S N 0.106 115.812 115.700 0.010 0.000 2.368 216 S HA -0.158 4.314 4.470 0.004 0.000 0.224 216 S C 1.860 176.467 174.600 0.012 0.000 1.029 216 S CA 1.676 59.883 58.200 0.011 0.000 0.988 216 S CB -1.227 61.981 63.200 0.014 0.000 0.838 216 S HN 0.730 nan 8.310 nan 0.000 0.462 217 C N 1.112 120.420 119.300 0.013 0.000 2.413 217 C HA 0.009 4.472 4.460 0.004 0.000 0.277 217 C C 2.379 177.376 174.990 0.012 0.000 1.265 217 C CA 0.244 59.271 59.018 0.014 0.000 1.752 217 C CB -1.647 26.103 27.740 0.017 0.000 1.998 217 C HN 0.334 nan 8.230 nan 0.000 0.489 218 V N 1.608 121.528 119.914 0.010 0.000 2.427 218 V HA -0.158 3.964 4.120 0.004 0.000 0.248 218 V C 3.050 179.145 176.094 0.003 0.000 1.051 218 V CA 2.191 64.495 62.300 0.006 0.000 1.048 218 V CB -0.763 31.063 31.823 0.005 0.000 0.666 218 V HN 0.537 nan 8.190 nan 0.000 0.456 219 R N -0.212 120.289 120.500 0.001 0.000 2.075 219 R HA -0.169 4.173 4.340 0.004 0.000 0.232 219 R C 2.410 178.710 176.300 0.001 0.000 1.126 219 R CA 1.536 57.633 56.100 -0.005 0.000 0.963 219 R CB -0.358 29.939 30.300 -0.005 0.000 0.858 219 R HN 0.570 nan 8.270 nan 0.000 0.435 220 Q N 0.588 120.393 119.800 0.008 0.000 2.084 220 Q HA -0.120 4.223 4.340 0.004 0.000 0.202 220 Q C 1.955 177.965 176.000 0.017 0.000 0.978 220 Q CA 1.319 57.130 55.803 0.012 0.000 0.844 220 Q CB 0.069 28.817 28.738 0.016 0.000 0.898 220 Q HN 0.246 nan 8.270 nan 0.000 0.426 221 K N -0.128 120.282 120.400 0.016 0.000 2.211 221 K HA -0.070 4.252 4.320 0.004 0.000 0.203 221 K C 1.915 178.536 176.600 0.035 0.000 1.050 221 K CA 0.789 57.090 56.287 0.023 0.000 0.945 221 K CB 0.179 32.688 32.500 0.015 0.000 0.732 221 K HN 0.063 nan 8.250 nan 0.000 0.451 222 V N 1.448 121.376 119.914 0.023 0.000 2.548 222 V HA -0.164 3.959 4.120 0.004 0.000 0.249 222 V C 1.989 178.111 176.094 0.047 0.000 1.055 222 V CA 1.277 63.592 62.300 0.024 0.000 1.065 222 V CB -0.240 31.575 31.823 -0.014 0.000 0.681 222 V HN 0.249 nan 8.190 nan 0.000 0.462 223 L N -0.803 120.444 121.223 0.039 0.000 2.240 223 L HA -0.040 4.303 4.340 0.004 0.000 0.211 223 L C 2.404 179.339 176.870 0.108 0.000 1.106 223 L CA 1.206 56.087 54.840 0.068 0.000 0.793 223 L CB -0.398 41.672 42.059 0.018 0.000 0.927 223 L HN 0.225 nan 8.230 nan 0.000 0.446 224 K N -1.073 119.372 120.400 0.074 0.000 2.167 224 K HA -0.100 4.223 4.320 0.004 0.000 0.203 224 K C 2.231 178.891 176.600 0.099 0.000 1.052 224 K CA 0.947 57.270 56.287 0.060 0.000 0.956 224 K CB -0.219 32.301 32.500 0.035 0.000 0.735 224 K HN 0.310 nan 8.250 nan 0.000 0.451 225 C N 0.723 120.111 119.300 0.146 0.000 2.446 225 C HA -0.087 4.375 4.460 0.004 0.000 0.277 225 C C 2.405 177.607 174.990 0.353 0.000 1.275 225 C CA 0.343 59.505 59.018 0.241 0.000 1.727 225 C CB -0.954 26.921 27.740 0.224 0.000 2.010 225 C HN 0.487 nan 8.230 nan 0.000 0.486 226 F N 2.289 122.302 119.950 0.104 0.000 2.126 226 F HA -0.090 4.440 4.527 0.004 0.000 0.299 226 F C 2.408 178.280 175.800 0.120 0.000 1.096 226 F CA 2.168 60.205 58.000 0.062 0.000 1.255 226 F CB -0.718 38.211 39.000 -0.118 0.000 0.997 226 F HN 0.219 nan 8.300 nan 0.000 0.479 227 S N 0.175 115.821 115.700 -0.090 0.000 2.382 227 S HA -0.170 4.302 4.470 0.004 0.000 0.228 227 S C 2.493 177.021 174.600 -0.119 0.000 1.027 227 S CA 1.292 59.379 58.200 -0.188 0.000 0.991 227 S CB -1.181 61.971 63.200 -0.081 0.000 0.823 227 S HN 0.635 nan 8.310 nan 0.000 0.469 228 S N 0.892 116.578 115.700 -0.022 0.000 2.345 228 S HA -0.104 4.368 4.470 0.004 0.000 0.220 228 S C 1.627 176.182 174.600 -0.074 0.000 1.031 228 S CA 1.245 59.408 58.200 -0.061 0.000 0.996 228 S CB -0.888 62.270 63.200 -0.070 0.000 0.882 228 S HN 0.614 nan 8.310 nan 0.000 0.445 229 W N 1.045 122.324 121.300 -0.035 0.000 2.465 229 W HA 0.080 4.744 4.660 0.007 0.000 0.268 229 W C 1.989 178.483 176.519 -0.040 0.000 1.242 229 W CA 0.489 57.835 57.345 0.000 0.000 1.248 229 W CB -0.141 29.428 29.460 0.182 0.000 1.118 229 W HN 0.164 nan 8.180 nan 0.000 0.587 230 V N -0.603 119.322 119.914 0.019 0.000 2.871 230 V HA -0.207 3.915 4.120 0.004 0.000 0.256 230 V C 1.843 177.902 176.094 -0.058 0.000 1.082 230 V CA 1.354 63.593 62.300 -0.102 0.000 1.105 230 V CB -0.537 31.009 31.823 -0.461 0.000 0.713 230 V HN 0.030 nan 8.190 nan 0.000 0.473 231 Q N -0.256 119.504 119.800 -0.066 0.000 2.557 231 Q HA 0.089 4.431 4.340 0.004 0.000 0.217 231 Q C 0.428 176.415 176.000 -0.021 0.000 0.978 231 Q CA 0.691 56.465 55.803 -0.049 0.000 0.950 231 Q CB -0.078 28.622 28.738 -0.063 0.000 0.991 231 Q HN 0.577 nan 8.270 nan 0.000 0.533 232 L N -2.048 119.170 121.223 -0.009 0.000 2.464 232 L HA 0.492 4.834 4.340 0.004 0.000 0.264 232 L C 0.666 177.552 176.870 0.026 0.000 1.062 232 L CA -0.339 54.503 54.840 0.004 0.000 0.935 232 L CB 0.611 42.637 42.059 -0.055 0.000 1.603 232 L HN -0.064 nan 8.230 nan 0.000 0.528 233 E N 0.567 120.784 120.200 0.028 0.000 2.594 233 E HA 0.386 4.739 4.350 0.004 0.000 0.300 233 E C -0.505 176.115 176.600 0.033 0.000 1.568 233 E CA -0.120 56.305 56.400 0.042 0.000 1.811 233 E CB -0.695 29.033 29.700 0.047 0.000 1.458 233 E HN 0.277 nan 8.360 nan 0.000 0.470 234 V N 3.304 123.239 119.914 0.034 0.000 2.370 234 V HA 0.335 4.458 4.120 0.004 0.000 0.279 234 V C -1.829 174.271 176.094 0.010 0.000 1.029 234 V CA -1.875 60.434 62.300 0.015 0.000 0.870 234 V CB 1.336 33.183 31.823 0.040 0.000 0.984 234 V HN 0.531 nan 8.190 nan 0.000 0.451 235 P HA 0.052 nan 4.420 nan 0.000 0.265 235 P C 1.059 178.126 177.300 -0.388 0.000 1.187 235 P CA 0.013 62.959 63.100 -0.257 0.000 0.766 235 P CB 1.389 32.941 31.700 -0.246 0.000 0.820 236 L N 1.774 122.631 121.223 -0.610 0.000 2.012 236 L HA -0.237 4.106 4.340 0.004 0.000 0.210 236 L C 2.853 179.537 176.870 -0.311 0.000 1.073 236 L CA 1.814 56.465 54.840 -0.316 0.000 0.748 236 L CB -0.492 41.459 42.059 -0.180 0.000 0.891 236 L HN 0.542 nan 8.230 nan 0.000 0.431 237 Q N -0.219 119.215 119.800 -0.610 0.000 2.197 237 Q HA -0.281 4.061 4.340 0.004 0.000 0.211 237 Q C 1.064 177.001 176.000 -0.105 0.000 0.993 237 Q CA 2.121 57.770 55.803 -0.256 0.000 0.883 237 Q CB 0.062 28.693 28.738 -0.179 0.000 0.916 237 Q HN 0.496 nan 8.270 nan 0.000 0.418 238 D N -1.410 118.934 120.400 -0.094 0.000 2.340 238 D HA 0.018 4.661 4.640 0.004 0.000 0.220 238 D C 0.763 177.176 176.300 0.187 0.000 1.039 238 D CA 0.224 54.254 54.000 0.050 0.000 0.866 238 D CB 0.194 41.022 40.800 0.047 0.000 0.913 238 D HN 0.318 nan 8.370 nan 0.000 0.523 239 C N 0.034 119.420 119.300 0.143 0.000 3.019 239 C HA 0.083 4.546 4.460 0.004 0.000 0.295 239 C C 2.437 177.427 174.990 0.001 0.000 1.256 239 C CA -0.729 58.389 59.018 0.167 0.000 1.706 239 C CB 0.181 28.135 27.740 0.358 0.000 2.153 239 C HN 0.406 nan 8.230 nan 0.000 0.618 240 E N 2.559 122.763 120.200 0.008 0.000 2.132 240 E HA -0.374 3.978 4.350 0.004 0.000 0.218 240 E C 2.081 178.642 176.600 -0.064 0.000 1.058 240 E CA 2.296 58.689 56.400 -0.011 0.000 0.882 240 E CB -0.247 29.448 29.700 -0.008 0.000 0.774 240 E HN 0.593 nan 8.360 nan 0.000 0.467 241 A N 0.619 123.379 122.820 -0.099 0.000 1.940 241 A HA -0.142 4.181 4.320 0.004 0.000 0.219 241 A C 2.298 179.735 177.584 -0.246 0.000 1.176 241 A CA 1.510 53.464 52.037 -0.138 0.000 0.631 241 A CB -0.558 18.368 19.000 -0.123 0.000 0.814 241 A HN 0.387 nan 8.150 nan 0.000 0.446 242 L N -0.235 120.722 121.223 -0.443 0.000 2.313 242 L HA -0.066 4.276 4.340 0.004 0.000 0.214 242 L C 2.054 178.572 176.870 -0.587 0.000 1.119 242 L CA 0.170 54.552 54.840 -0.764 0.000 0.809 242 L CB -0.205 40.864 42.059 -1.650 0.000 0.933 242 L HN 0.324 nan 8.230 nan 0.000 0.449 243 I N -0.474 119.921 120.570 -0.290 0.000 2.315 243 I HA -0.234 3.938 4.170 0.004 0.000 0.248 243 I C 2.359 178.560 176.117 0.140 0.000 1.117 243 I CA 1.386 62.686 61.300 0.000 0.000 1.404 243 I CB -1.084 37.004 38.000 0.147 0.000 1.071 243 I HN 0.410 nan 8.210 nan 0.000 0.419 244 Q N 0.642 120.474 119.800 0.054 0.000 2.123 244 Q HA -0.054 4.288 4.340 0.004 0.000 0.199 244 Q C 2.424 178.459 176.000 0.057 0.000 0.966 244 Q CA 1.558 57.413 55.803 0.088 0.000 0.845 244 Q CB -0.082 28.655 28.738 -0.001 0.000 0.907 244 Q HN 0.530 nan 8.270 nan 0.000 0.439 245 A N 1.075 123.862 122.820 -0.054 0.000 1.929 245 A HA -0.014 4.309 4.320 0.004 0.000 0.216 245 A C 2.291 179.840 177.584 -0.058 0.000 1.176 245 A CA 1.301 53.294 52.037 -0.073 0.000 0.628 245 A CB -0.585 18.325 19.000 -0.151 0.000 0.816 245 A HN 0.363 nan 8.150 nan 0.000 0.444 246 A N -0.997 121.762 122.820 -0.102 0.000 1.902 246 A HA -0.038 4.285 4.320 0.004 0.000 0.217 246 A C 1.942 179.454 177.584 -0.120 0.000 1.181 246 A CA 1.552 53.510 52.037 -0.132 0.000 0.623 246 A CB -0.748 18.146 19.000 -0.177 0.000 0.818 246 A HN 0.442 nan 8.150 nan 0.000 0.443 247 F N 0.140 120.065 119.950 -0.042 0.000 2.134 247 F HA -0.101 4.428 4.527 0.004 0.000 0.299 247 F C 2.786 178.583 175.800 -0.005 0.000 1.097 247 F CA 1.168 59.157 58.000 -0.019 0.000 1.264 247 F CB -0.483 38.505 39.000 -0.020 0.000 1.001 247 F HN 0.256 nan 8.300 nan 0.000 0.479 248 A N -0.370 122.549 122.820 0.165 0.000 1.969 248 A HA -0.013 4.310 4.320 0.004 0.000 0.218 248 A C 2.302 179.925 177.584 0.066 0.000 1.169 248 A CA 1.456 53.550 52.037 0.094 0.000 0.635 248 A CB -1.198 17.831 19.000 0.049 0.000 0.810 248 A HN 0.292 nan 8.150 nan 0.000 0.445 249 A N -0.411 122.433 122.820 0.040 0.000 2.119 249 A HA 0.117 4.439 4.320 0.004 0.000 0.217 249 A C 1.977 179.606 177.584 0.074 0.000 1.153 249 A CA 0.963 53.019 52.037 0.032 0.000 0.692 249 A CB -0.523 18.474 19.000 -0.006 0.000 0.799 249 A HN 0.475 nan 8.150 nan 0.000 0.458 250 L N -0.359 120.922 121.223 0.096 0.000 2.127 250 L HA -0.264 4.079 4.340 0.004 0.000 0.211 250 L C 2.652 179.682 176.870 0.266 0.000 1.089 250 L CA 1.634 56.606 54.840 0.220 0.000 0.757 250 L CB -0.448 41.730 42.059 0.199 0.000 0.899 250 L HN 0.692 nan 8.230 nan 0.000 0.434 251 Q N -1.138 118.748 119.800 0.144 0.000 2.482 251 Q HA -0.026 4.316 4.340 0.004 0.000 0.209 251 Q C 0.336 176.367 176.000 0.053 0.000 0.961 251 Q CA 0.563 56.416 55.803 0.083 0.000 0.945 251 Q CB -0.265 28.509 28.738 0.059 0.000 1.012 251 Q HN 0.195 nan 8.270 nan 0.000 0.515 252 D N -0.078 120.368 120.400 0.077 0.000 2.280 252 D HA 0.171 4.813 4.640 0.004 0.000 0.236 252 D C 0.057 176.398 176.300 0.069 0.000 1.082 252 D CA -0.273 53.759 54.000 0.053 0.000 0.834 252 D CB 1.516 42.345 40.800 0.049 0.000 1.100 252 D HN 0.090 nan 8.370 nan 0.000 0.486 253 S N 3.243 118.957 115.700 0.024 0.000 2.383 253 S HA -0.166 4.307 4.470 0.004 0.000 0.229 253 S C 1.524 176.164 174.600 0.066 0.000 1.030 253 S CA 0.851 59.058 58.200 0.013 0.000 1.002 253 S CB 0.071 63.258 63.200 -0.022 0.000 0.829 253 S HN 0.598 nan 8.310 nan 0.000 0.467 254 E N 1.301 121.532 120.200 0.053 0.000 2.110 254 E HA -0.045 4.307 4.350 0.004 0.000 0.193 254 E C 1.802 178.444 176.600 0.070 0.000 0.988 254 E CA 0.847 57.278 56.400 0.052 0.000 0.804 254 E CB -0.292 29.427 29.700 0.033 0.000 0.745 254 E HN 0.542 nan 8.360 nan 0.000 0.458 255 L N -0.361 120.911 121.223 0.081 0.000 2.607 255 L HA 0.142 4.485 4.340 0.004 0.000 0.228 255 L C 2.046 178.974 176.870 0.097 0.000 1.123 255 L CA -0.319 54.561 54.840 0.067 0.000 0.890 255 L CB -0.281 41.802 42.059 0.040 0.000 1.103 255 L HN -0.080 nan 8.230 nan 0.000 0.468 256 F N 2.286 122.228 119.950 -0.013 0.000 2.043 256 F HA -0.293 4.237 4.527 0.004 0.000 0.297 256 F C 2.206 177.995 175.800 -0.018 0.000 1.121 256 F CA 2.070 60.061 58.000 -0.016 0.000 1.199 256 F CB -0.096 38.900 39.000 -0.006 0.000 0.968 256 F HN 0.166 nan 8.300 nan 0.000 0.478 257 D N -0.474 119.958 120.400 0.053 0.000 2.149 257 D HA -0.157 4.486 4.640 0.004 0.000 0.198 257 D C 2.448 178.672 176.300 -0.127 0.000 0.990 257 D CA 1.652 55.605 54.000 -0.079 0.000 0.839 257 D CB -0.541 40.286 40.800 0.045 0.000 0.948 257 D HN 0.289 nan 8.370 nan 0.000 0.460 258 S N 0.442 116.102 115.700 -0.067 0.000 2.368 258 S HA -0.090 4.383 4.470 0.004 0.000 0.224 258 S C 2.265 176.808 174.600 -0.096 0.000 1.029 258 S CA 0.874 59.039 58.200 -0.057 0.000 0.988 258 S CB -0.025 63.166 63.200 -0.016 0.000 0.838 258 S HN 0.195 nan 8.310 nan 0.000 0.462 259 S N 0.992 116.604 115.700 -0.146 0.000 2.355 259 S HA -0.052 4.421 4.470 0.004 0.000 0.222 259 S C 2.000 176.432 174.600 -0.281 0.000 1.031 259 S CA 0.929 59.015 58.200 -0.191 0.000 0.993 259 S CB -0.644 62.430 63.200 -0.210 0.000 0.859 259 S HN 0.332 nan 8.310 nan 0.000 0.453 260 V N 2.403 122.070 119.914 -0.412 0.000 2.324 260 V HA -0.208 3.915 4.120 0.004 0.000 0.250 260 V C 2.477 178.424 176.094 -0.245 0.000 1.060 260 V CA 1.876 63.924 62.300 -0.421 0.000 1.042 260 V CB -0.460 31.017 31.823 -0.576 0.000 0.650 260 V HN 0.375 nan 8.190 nan 0.000 0.450 261 E N 0.145 120.236 120.200 -0.182 0.000 2.031 261 E HA -0.163 4.189 4.350 0.004 0.000 0.193 261 E C 2.321 178.862 176.600 -0.098 0.000 0.994 261 E CA 1.558 57.890 56.400 -0.113 0.000 0.800 261 E CB -0.727 28.925 29.700 -0.079 0.000 0.752 261 E HN 0.658 nan 8.360 nan 0.000 0.447 262 A N 1.141 123.917 122.820 -0.072 0.000 1.948 262 A HA -0.184 4.139 4.320 0.004 0.000 0.220 262 A C 2.301 179.875 177.584 -0.018 0.000 1.177 262 A CA 1.379 53.408 52.037 -0.013 0.000 0.636 262 A CB -0.678 18.423 19.000 0.169 0.000 0.815 262 A HN 0.207 nan 8.150 nan 0.000 0.449 263 I N -0.899 119.617 120.570 -0.091 0.000 2.406 263 I HA -0.138 4.035 4.170 0.004 0.000 0.249 263 I C 2.198 178.272 176.117 -0.072 0.000 1.122 263 I CA 0.667 61.896 61.300 -0.119 0.000 1.431 263 I CB -0.181 37.601 38.000 -0.363 0.000 1.087 263 I HN 0.133 nan 8.210 nan 0.000 0.424 264 V N 1.168 121.027 119.914 -0.091 0.000 2.453 264 V HA -0.206 3.916 4.120 0.004 0.000 0.247 264 V C 2.120 178.190 176.094 -0.039 0.000 1.048 264 V CA 1.617 63.882 62.300 -0.059 0.000 1.049 264 V CB -0.753 31.027 31.823 -0.072 0.000 0.672 264 V HN 0.448 nan 8.190 nan 0.000 0.457 265 N N 0.561 119.224 118.700 -0.062 0.000 2.223 265 N HA -0.100 4.642 4.740 0.004 0.000 0.185 265 N C 1.880 177.358 175.510 -0.052 0.000 1.016 265 N CA 1.540 54.550 53.050 -0.068 0.000 0.863 265 N CB -0.265 38.154 38.487 -0.112 0.000 0.983 265 N HN 0.505 nan 8.380 nan 0.000 0.429 266 A N 1.441 124.235 122.820 -0.043 0.000 1.855 266 A HA -0.030 4.293 4.320 0.004 0.000 0.215 266 A C 2.304 179.940 177.584 0.086 0.000 1.191 266 A CA 0.861 52.906 52.037 0.014 0.000 0.613 266 A CB -0.642 18.413 19.000 0.092 0.000 0.829 266 A HN 0.172 nan 8.150 nan 0.000 0.442 267 I N 0.060 120.695 120.570 0.110 0.000 2.315 267 I HA -0.168 4.005 4.170 0.004 0.000 0.248 267 I C 1.897 178.115 176.117 0.168 0.000 1.117 267 I CA 1.315 62.735 61.300 0.199 0.000 1.404 267 I CB -0.173 37.927 38.000 0.167 0.000 1.071 267 I HN 0.167 nan 8.210 nan 0.000 0.419 268 S N 0.121 115.857 115.700 0.061 0.000 2.607 268 S HA 0.028 4.501 4.470 0.004 0.000 0.224 268 S C 0.666 175.294 174.600 0.046 0.000 0.969 268 S CA 0.061 58.274 58.200 0.021 0.000 0.927 268 S CB -0.261 62.933 63.200 -0.009 0.000 0.772 268 S HN 0.296 nan 8.310 nan 0.000 0.533 269 Q N 1.552 121.400 119.800 0.081 0.000 2.330 269 Q HA 0.130 4.472 4.340 0.004 0.000 0.279 269 Q C -1.619 174.444 176.000 0.105 0.000 1.024 269 Q CA -1.679 54.171 55.803 0.079 0.000 0.900 269 Q CB 0.163 28.951 28.738 0.083 0.000 1.221 269 Q HN 0.087 nan 8.270 nan 0.000 0.396 270 P HA -0.145 nan 4.420 nan 0.000 0.216 270 P C 0.602 177.964 177.300 0.103 0.000 1.150 270 P CA 2.033 65.179 63.100 0.078 0.000 0.837 270 P CB 0.242 31.975 31.700 0.055 0.000 0.786 271 D N -1.183 119.289 120.400 0.119 0.000 2.348 271 D HA 0.195 4.838 4.640 0.004 0.000 0.211 271 D C 1.936 178.355 176.300 0.198 0.000 0.998 271 D CA 0.661 54.748 54.000 0.145 0.000 0.873 271 D CB -0.877 40.024 40.800 0.167 0.000 0.925 271 D HN 0.133 nan 8.370 nan 0.000 0.524 272 A N -0.119 122.825 122.820 0.207 0.000 1.997 272 A HA -0.031 4.292 4.320 0.004 0.000 0.221 272 A C 2.585 180.224 177.584 0.091 0.000 1.172 272 A CA 3.025 55.187 52.037 0.207 0.000 0.645 272 A CB -1.116 18.038 19.000 0.256 0.000 0.813 272 A HN 0.773 nan 8.150 nan 0.000 0.454 273 Q N -0.354 119.515 119.800 0.114 0.000 2.167 273 Q HA -0.175 4.168 4.340 0.004 0.000 0.202 273 Q C 2.145 178.128 176.000 -0.028 0.000 0.970 273 Q CA 1.644 57.461 55.803 0.023 0.000 0.855 273 Q CB -0.763 28.049 28.738 0.124 0.000 0.911 273 Q HN 0.841 nan 8.270 nan 0.000 0.438 274 R N -1.036 119.443 120.500 -0.035 0.000 2.105 274 R HA -0.085 4.258 4.340 0.004 0.000 0.239 274 R C 0.188 176.282 176.300 -0.343 0.000 1.135 274 R CA 1.230 57.206 56.100 -0.206 0.000 0.967 274 R CB -0.200 29.915 30.300 -0.309 0.000 0.861 274 R HN 0.653 nan 8.270 nan 0.000 0.442 275 Y N 0.786 121.064 120.300 -0.037 0.000 2.821 275 Y HA 0.053 4.606 4.550 0.005 0.000 0.331 275 Y C 1.415 177.269 175.900 -0.076 0.000 1.251 275 Y CA -0.762 57.314 58.100 -0.039 0.000 1.494 275 Y CB 0.466 38.915 38.460 -0.019 0.000 1.493 275 Y HN -0.116 nan 8.280 nan 0.000 0.496 276 V N -1.308 118.601 119.914 -0.009 0.000 2.427 276 V HA -0.230 3.893 4.120 0.004 0.000 0.248 276 V C 1.721 177.800 176.094 -0.026 0.000 1.051 276 V CA 2.031 64.307 62.300 -0.041 0.000 1.048 276 V CB -0.108 31.688 31.823 -0.046 0.000 0.666 276 V HN 0.505 nan 8.190 nan 0.000 0.456 277 N N 1.042 119.748 118.700 0.010 0.000 2.149 277 N HA -0.124 4.619 4.740 0.004 0.000 0.188 277 N C 1.869 177.384 175.510 0.008 0.000 1.019 277 N CA 2.211 55.267 53.050 0.010 0.000 0.857 277 N CB -0.753 37.756 38.487 0.037 0.000 0.997 277 N HN 0.621 nan 8.380 nan 0.000 0.426 278 T N 0.824 115.402 114.554 0.039 0.000 2.904 278 T HA 0.055 4.407 4.350 0.004 0.000 0.267 278 T C 1.900 176.600 174.700 -0.001 0.000 1.059 278 T CA 0.429 62.545 62.100 0.026 0.000 1.137 278 T CB -0.133 68.760 68.868 0.042 0.000 0.879 278 T HN 0.157 nan 8.240 nan 0.000 0.467 279 L N 0.602 121.808 121.223 -0.027 0.000 2.127 279 L HA -0.070 4.272 4.340 0.004 0.000 0.211 279 L C 2.370 179.211 176.870 -0.047 0.000 1.089 279 L CA 1.074 55.883 54.840 -0.051 0.000 0.757 279 L CB -0.662 41.324 42.059 -0.120 0.000 0.899 279 L HN 0.286 nan 8.230 nan 0.000 0.434 280 L N -0.427 120.744 121.223 -0.088 0.000 2.093 280 L HA -0.188 4.155 4.340 0.004 0.000 0.208 280 L C 2.538 179.366 176.870 -0.070 0.000 1.085 280 L CA 1.271 56.020 54.840 -0.151 0.000 0.755 280 L CB -0.415 41.512 42.059 -0.220 0.000 0.904 280 L HN 0.235 nan 8.230 nan 0.000 0.435 281 K N 0.051 120.427 120.400 -0.041 0.000 2.288 281 K HA -0.065 4.257 4.320 0.004 0.000 0.201 281 K C 1.993 178.552 176.600 -0.069 0.000 1.048 281 K CA 0.817 57.080 56.287 -0.040 0.000 0.956 281 K CB 0.041 32.525 32.500 -0.026 0.000 0.746 281 K HN 0.324 nan 8.250 nan 0.000 0.461 282 L N 0.652 121.851 121.223 -0.040 0.000 2.240 282 L HA -0.067 4.276 4.340 0.004 0.000 0.211 282 L C 2.115 178.944 176.870 -0.068 0.000 1.106 282 L CA 0.620 55.435 54.840 -0.042 0.000 0.793 282 L CB -0.362 41.743 42.059 0.077 0.000 0.927 282 L HN 0.145 nan 8.230 nan 0.000 0.446 283 I N 0.738 121.292 120.570 -0.027 0.000 2.179 283 I HA -0.184 3.989 4.170 0.004 0.000 0.242 283 I C -0.126 175.958 176.117 -0.056 0.000 1.088 283 I CA 1.296 62.593 61.300 -0.005 0.000 1.357 283 I CB -1.882 36.144 38.000 0.043 0.000 1.051 283 I HN 0.223 nan 8.210 nan 0.000 0.409 284 P HA -0.140 nan 4.420 nan 0.000 0.218 284 P C 2.031 179.220 177.300 -0.185 0.000 1.149 284 P CA 1.510 64.551 63.100 -0.099 0.000 0.817 284 P CB -0.002 31.651 31.700 -0.078 0.000 0.785 285 L N -0.613 120.411 121.223 -0.332 0.000 2.046 285 L HA -0.132 4.211 4.340 0.004 0.000 0.208 285 L C 2.736 179.303 176.870 -0.506 0.000 1.077 285 L CA 1.339 55.782 54.840 -0.663 0.000 0.747 285 L CB -1.066 40.162 42.059 -1.386 0.000 0.896 285 L HN -0.161 nan 8.230 nan 0.000 0.432 286 V N -0.034 119.727 119.914 -0.255 0.000 2.427 286 V HA -0.253 3.870 4.120 0.004 0.000 0.248 286 V C 2.347 178.442 176.094 0.001 0.000 1.051 286 V CA 1.405 63.729 62.300 0.039 0.000 1.048 286 V CB -0.357 31.516 31.823 0.084 0.000 0.666 286 V HN 0.354 nan 8.190 nan 0.000 0.456 287 L N 0.658 121.850 121.223 -0.052 0.000 2.141 287 L HA -0.046 4.296 4.340 0.004 0.000 0.209 287 L C 2.516 179.357 176.870 -0.050 0.000 1.094 287 L CA 1.486 56.295 54.840 -0.052 0.000 0.763 287 L CB -1.074 40.951 42.059 -0.057 0.000 0.908 287 L HN 0.486 nan 8.230 nan 0.000 0.437 288 G N -0.007 108.756 108.800 -0.061 0.000 2.653 288 G HA2 -0.117 3.846 3.960 0.004 0.000 0.212 288 G HA3 -0.117 3.846 3.960 0.004 0.000 0.212 288 G C 1.374 176.274 174.900 0.001 0.000 1.138 288 G CA 0.204 45.278 45.100 -0.043 0.000 0.782 288 G HN 0.327 nan 8.290 nan 0.000 0.535 289 L N -0.411 120.828 121.223 0.026 0.000 2.607 289 L HA 0.168 4.511 4.340 0.004 0.000 0.228 289 L C 2.475 179.347 176.870 0.003 0.000 1.123 289 L CA -0.063 54.812 54.840 0.059 0.000 0.890 289 L CB -0.066 42.068 42.059 0.126 0.000 1.103 289 L HN 0.244 nan 8.230 nan 0.000 0.468 290 Q N 1.164 120.937 119.800 -0.045 0.000 2.045 290 Q HA -0.296 4.047 4.340 0.004 0.000 0.206 290 Q C 1.987 177.913 176.000 -0.124 0.000 0.991 290 Q CA 2.272 58.006 55.803 -0.114 0.000 0.851 290 Q CB 0.166 28.826 28.738 -0.131 0.000 0.911 290 Q HN 0.359 nan 8.270 nan 0.000 0.418 291 E N 0.556 120.709 120.200 -0.079 0.000 2.110 291 E HA -0.223 4.130 4.350 0.004 0.000 0.193 291 E C 1.805 178.379 176.600 -0.044 0.000 0.988 291 E CA 1.718 58.078 56.400 -0.066 0.000 0.804 291 E CB -0.219 29.455 29.700 -0.043 0.000 0.745 291 E HN 0.447 nan 8.360 nan 0.000 0.458 292 Q N -0.705 119.084 119.800 -0.018 0.000 2.167 292 Q HA -0.129 4.213 4.340 0.004 0.000 0.202 292 Q C 2.068 178.070 176.000 0.004 0.000 0.970 292 Q CA 1.231 57.034 55.803 -0.000 0.000 0.855 292 Q CB -0.141 28.618 28.738 0.036 0.000 0.911 292 Q HN 0.344 nan 8.270 nan 0.000 0.438 293 L N 0.697 121.921 121.223 0.002 0.000 2.005 293 L HA -0.128 4.214 4.340 0.004 0.000 0.207 293 L C 2.186 179.085 176.870 0.049 0.000 1.072 293 L CA 1.731 56.594 54.840 0.037 0.000 0.744 293 L CB -0.466 41.600 42.059 0.012 0.000 0.895 293 L HN 0.089 nan 8.230 nan 0.000 0.433 294 R N -0.896 119.560 120.500 -0.073 0.000 2.097 294 R HA -0.221 4.121 4.340 0.004 0.000 0.236 294 R C 2.363 178.695 176.300 0.052 0.000 1.135 294 R CA 1.902 57.983 56.100 -0.031 0.000 0.934 294 R CB -0.693 29.528 30.300 -0.132 0.000 0.846 294 R HN 0.500 nan 8.270 nan 0.000 0.431 295 Q N 0.178 119.983 119.800 0.009 0.000 2.077 295 Q HA -0.207 4.136 4.340 0.004 0.000 0.206 295 Q C 2.130 178.142 176.000 0.020 0.000 0.989 295 Q CA 2.073 57.882 55.803 0.010 0.000 0.853 295 Q CB -0.183 28.548 28.738 -0.011 0.000 0.907 295 Q HN 0.411 nan 8.270 nan 0.000 0.418 296 A N -0.252 122.580 122.820 0.020 0.000 1.940 296 A HA -0.143 4.180 4.320 0.004 0.000 0.219 296 A C 2.253 179.866 177.584 0.050 0.000 1.176 296 A CA 1.697 53.743 52.037 0.015 0.000 0.631 296 A CB -0.548 18.456 19.000 0.007 0.000 0.814 296 A HN 0.275 nan 8.150 nan 0.000 0.446 297 V N -0.638 119.342 119.914 0.110 0.000 2.453 297 V HA -0.263 3.859 4.120 0.004 0.000 0.247 297 V C 2.559 178.701 176.094 0.079 0.000 1.048 297 V CA 2.026 64.397 62.300 0.119 0.000 1.049 297 V CB -0.943 31.014 31.823 0.223 0.000 0.672 297 V HN 0.606 nan 8.190 nan 0.000 0.457 298 Q N 0.602 120.451 119.800 0.083 0.000 2.061 298 Q HA -0.216 4.126 4.340 0.004 0.000 0.204 298 Q C 1.900 177.916 176.000 0.027 0.000 0.984 298 Q CA 2.161 57.996 55.803 0.053 0.000 0.846 298 Q CB -0.289 28.477 28.738 0.046 0.000 0.902 298 Q HN 0.739 nan 8.270 nan 0.000 0.421 299 N N -0.918 117.792 118.700 0.017 0.000 2.521 299 N HA 0.018 4.761 4.740 0.004 0.000 0.188 299 N C 0.544 176.051 175.510 -0.005 0.000 1.146 299 N CA 0.229 53.279 53.050 0.000 0.000 0.893 299 N CB 0.288 38.768 38.487 -0.012 0.000 0.975 299 N HN 0.358 nan 8.380 nan 0.000 0.451 300 G N 1.635 110.437 108.800 0.004 0.000 2.179 300 G HA2 -0.299 3.663 3.960 0.004 0.000 0.257 300 G HA3 -0.299 3.663 3.960 0.004 0.000 0.257 300 G C -0.061 174.831 174.900 -0.014 0.000 1.010 300 G CA 0.421 45.518 45.100 -0.005 0.000 0.736 300 G HN 0.405 nan 8.290 nan 0.000 0.513 304 T N 0.161 114.715 114.554 0.001 0.000 2.809 304 T HA -0.115 4.238 4.350 0.004 0.000 0.260 304 T C 1.886 176.679 174.700 0.155 0.000 1.039 304 T CA 1.634 63.663 62.100 -0.118 0.000 1.141 304 T CB -0.286 68.355 68.868 -0.378 0.000 0.869 304 T HN 0.262 nan 8.240 nan 0.000 0.437 305 S N 1.763 117.539 115.700 0.126 0.000 2.368 305 S HA -0.251 4.221 4.470 0.004 0.000 0.225 305 S C 1.985 176.710 174.600 0.208 0.000 1.030 305 S CA 1.195 59.494 58.200 0.164 0.000 0.999 305 S CB -0.951 62.332 63.200 0.139 0.000 0.844 305 S HN 0.609 nan 8.310 nan 0.000 0.459 306 H N 1.780 120.924 119.070 0.123 0.000 2.387 306 H HA -0.039 4.520 4.556 0.004 0.000 0.299 306 H C 2.309 177.714 175.328 0.129 0.000 1.090 306 H CA 1.736 57.852 56.048 0.113 0.000 1.332 306 H CB -0.874 28.944 29.762 0.093 0.000 1.386 306 H HN 0.554 nan 8.280 nan 0.000 0.516 307 G N 0.883 109.898 108.800 0.358 0.000 2.404 307 G HA2 -0.174 3.789 3.960 0.004 0.000 0.215 307 G HA3 -0.174 3.789 3.960 0.004 0.000 0.215 307 G C 1.961 176.918 174.900 0.095 0.000 1.174 307 G CA 0.845 46.079 45.100 0.224 0.000 0.780 307 G HN 0.403 nan 8.290 nan 0.000 0.537 308 I N 0.125 120.827 120.570 0.219 0.000 2.394 308 I HA -0.140 4.033 4.170 0.004 0.000 0.251 308 I C 2.859 178.999 176.117 0.037 0.000 1.136 308 I CA 0.403 61.780 61.300 0.128 0.000 1.425 308 I CB -0.361 37.744 38.000 0.174 0.000 1.079 308 I HN 0.311 nan 8.210 nan 0.000 0.425 309 C N 1.654 120.965 119.300 0.018 0.000 2.432 309 C HA -0.152 4.311 4.460 0.004 0.000 0.277 309 C C 3.053 177.975 174.990 -0.113 0.000 1.249 309 C CA 1.086 60.072 59.018 -0.054 0.000 1.725 309 C CB -0.959 26.738 27.740 -0.072 0.000 2.028 309 C HN 0.396 nan 8.230 nan 0.000 0.477 310 R N 0.198 120.609 120.500 -0.147 0.000 2.091 310 R HA -0.110 4.233 4.340 0.004 0.000 0.238 310 R C 2.087 178.329 176.300 -0.096 0.000 1.136 310 R CA 2.005 58.018 56.100 -0.144 0.000 0.959 310 R CB -0.409 29.803 30.300 -0.146 0.000 0.856 310 R HN 0.598 nan 8.270 nan 0.000 0.437 311 I N 0.318 120.841 120.570 -0.079 0.000 2.142 311 I HA -0.289 3.884 4.170 0.004 0.000 0.240 311 I C 2.625 178.730 176.117 -0.019 0.000 1.078 311 I CA 1.394 62.663 61.300 -0.051 0.000 1.343 311 I CB -0.489 37.487 38.000 -0.040 0.000 1.046 311 I HN 0.218 nan 8.210 nan 0.000 0.405 312 A N 0.260 123.058 122.820 -0.037 0.000 1.902 312 A HA -0.153 4.170 4.320 0.004 0.000 0.217 312 A C 2.392 179.895 177.584 -0.135 0.000 1.181 312 A CA 1.667 53.658 52.037 -0.077 0.000 0.623 312 A CB -0.951 17.978 19.000 -0.118 0.000 0.818 312 A HN 0.264 nan 8.150 nan 0.000 0.443 313 V N -0.377 119.446 119.914 -0.152 0.000 2.626 313 V HA -0.168 3.955 4.120 0.004 0.000 0.252 313 V C 2.911 178.974 176.094 -0.052 0.000 1.067 313 V CA 1.595 63.808 62.300 -0.145 0.000 1.081 313 V CB -0.811 30.930 31.823 -0.137 0.000 0.686 313 V HN 0.620 nan 8.190 nan 0.000 0.468 314 A N -0.646 122.146 122.820 -0.047 0.000 1.929 314 A HA -0.091 4.231 4.320 0.004 0.000 0.216 314 A C 2.225 179.790 177.584 -0.032 0.000 1.176 314 A CA 1.463 53.477 52.037 -0.037 0.000 0.628 314 A CB -0.353 18.631 19.000 -0.028 0.000 0.816 314 A HN 0.463 nan 8.150 nan 0.000 0.444 315 L N -0.753 120.485 121.223 0.024 0.000 2.005 315 L HA -0.064 4.279 4.340 0.004 0.000 0.207 315 L C 2.561 179.494 176.870 0.105 0.000 1.072 315 L CA 1.575 56.475 54.840 0.100 0.000 0.744 315 L CB -0.754 41.387 42.059 0.136 0.000 0.895 315 L HN 0.447 nan 8.230 nan 0.000 0.433 316 G N 0.062 108.933 108.800 0.120 0.000 2.434 316 G HA2 -0.312 3.650 3.960 0.004 0.000 0.214 316 G HA3 -0.312 3.650 3.960 0.004 0.000 0.214 316 G C 1.262 176.319 174.900 0.262 0.000 1.202 316 G CA 0.728 46.005 45.100 0.295 0.000 0.788 316 G HN 0.652 nan 8.290 nan 0.000 0.539 317 E N 0.354 120.676 120.200 0.203 0.000 2.401 317 E HA -0.117 4.235 4.350 0.004 0.000 0.199 317 E C 1.701 178.285 176.600 -0.027 0.000 1.023 317 E CA 1.171 57.621 56.400 0.083 0.000 0.859 317 E CB -0.112 29.629 29.700 0.070 0.000 0.780 317 E HN 0.331 nan 8.360 nan 0.000 0.523 318 N N 0.182 118.801 118.700 -0.135 0.000 2.511 318 N HA 0.004 4.747 4.740 0.004 0.000 0.190 318 N C 0.753 176.089 175.510 -0.289 0.000 1.037 318 N CA 0.841 53.699 53.050 -0.320 0.000 0.895 318 N CB 0.094 38.186 38.487 -0.658 0.000 1.149 318 N HN 0.305 nan 8.380 nan 0.000 0.437 319 H N 0.330 119.458 119.070 0.097 0.000 2.488 319 H HA 0.336 4.894 4.556 0.004 0.000 0.294 319 H C 1.340 176.721 175.328 0.088 0.000 1.088 319 H CA -0.035 56.063 56.048 0.083 0.000 1.086 319 H CB -0.021 29.792 29.762 0.085 0.000 1.569 319 H HN 0.158 nan 8.280 nan 0.000 0.548 320 S N 1.799 117.600 115.700 0.168 0.000 2.354 320 S HA -0.280 4.192 4.470 0.004 0.000 0.219 320 S C 2.173 176.701 174.600 -0.120 0.000 1.035 320 S CA 1.214 59.491 58.200 0.129 0.000 1.037 320 S CB -0.297 62.991 63.200 0.147 0.000 0.956 320 S HN 0.599 nan 8.310 nan 0.000 0.428 321 R N 2.440 122.921 120.500 -0.033 0.000 2.127 321 R HA 0.085 4.427 4.340 0.004 0.000 0.238 321 R C 2.375 178.672 176.300 -0.004 0.000 1.134 321 R CA 1.279 57.380 56.100 0.003 0.000 0.975 321 R CB -0.990 29.369 30.300 0.098 0.000 0.865 321 R HN 0.488 nan 8.270 nan 0.000 0.447 322 A N 1.936 124.769 122.820 0.023 0.000 1.969 322 A HA -0.005 4.318 4.320 0.004 0.000 0.218 322 A C 2.282 179.850 177.584 -0.027 0.000 1.169 322 A CA 0.980 53.028 52.037 0.019 0.000 0.635 322 A CB -0.343 18.684 19.000 0.045 0.000 0.810 322 A HN 0.300 nan 8.150 nan 0.000 0.445 323 L N -0.960 120.220 121.223 -0.073 0.000 2.240 323 L HA -0.021 4.322 4.340 0.004 0.000 0.211 323 L C 2.311 179.032 176.870 -0.248 0.000 1.106 323 L CA 0.427 55.193 54.840 -0.124 0.000 0.793 323 L CB -0.325 41.693 42.059 -0.068 0.000 0.927 323 L HN 0.343 nan 8.230 nan 0.000 0.446 324 L N -0.664 120.336 121.223 -0.373 0.000 2.179 324 L HA -0.120 4.222 4.340 0.004 0.000 0.208 324 L C 2.084 178.918 176.870 -0.060 0.000 1.096 324 L CA 0.774 55.405 54.840 -0.348 0.000 0.779 324 L CB -0.360 41.433 42.059 -0.444 0.000 0.922 324 L HN 0.262 nan 8.230 nan 0.000 0.443 325 D N -0.201 120.170 120.400 -0.048 0.000 2.144 325 D HA -0.169 4.474 4.640 0.004 0.000 0.200 325 D C 1.164 177.486 176.300 0.037 0.000 0.978 325 D CA 0.960 54.953 54.000 -0.012 0.000 0.833 325 D CB -0.032 40.769 40.800 0.002 0.000 0.961 325 D HN 0.218 nan 8.370 nan 0.000 0.470 326 Q N 0.895 120.728 119.800 0.054 0.000 3.159 326 Q HA 0.063 4.406 4.340 0.004 0.000 0.280 326 Q C 1.176 177.303 176.000 0.210 0.000 1.403 326 Q CA -0.165 55.709 55.803 0.118 0.000 0.957 326 Q CB 0.136 28.928 28.738 0.090 0.000 1.729 326 Q HN -0.038 nan 8.270 nan 0.000 0.551 327 V N 0.768 120.793 119.914 0.185 0.000 2.527 327 V HA -0.351 3.771 4.120 0.004 0.000 0.255 327 V C 2.357 178.664 176.094 0.355 0.000 1.081 327 V CA 2.371 64.819 62.300 0.247 0.000 1.092 327 V CB -1.065 30.812 31.823 0.090 0.000 0.673 327 V HN 0.819 nan 8.190 nan 0.000 0.470 328 E N -1.502 118.858 120.200 0.267 0.000 2.409 328 E HA -0.226 4.127 4.350 0.004 0.000 0.198 328 E C 1.720 178.384 176.600 0.108 0.000 1.024 328 E CA 1.235 57.761 56.400 0.210 0.000 0.861 328 E CB -0.623 29.144 29.700 0.112 0.000 0.788 328 E HN 0.850 nan 8.360 nan 0.000 0.521 329 H N -1.275 117.918 119.070 0.205 0.000 2.528 329 H HA 0.043 4.602 4.556 0.004 0.000 0.282 329 H C 1.528 176.947 175.328 0.152 0.000 1.097 329 H CA -0.001 56.118 56.048 0.118 0.000 1.121 329 H CB -0.086 29.738 29.762 0.104 0.000 1.590 329 H HN 0.802 nan 8.280 nan 0.000 0.553 330 W N 1.380 122.818 121.300 0.229 0.000 2.350 330 W HA -0.155 4.508 4.660 0.005 0.000 0.289 330 W C 1.032 177.711 176.519 0.266 0.000 1.215 330 W CA 0.374 57.886 57.345 0.278 0.000 1.236 330 W CB -0.659 28.958 29.460 0.261 0.000 1.130 330 W HN 0.194 nan 8.180 nan 0.000 0.541 331 Q N 0.900 120.186 119.800 -0.856 0.000 2.084 331 Q HA -0.131 4.212 4.340 0.004 0.000 0.202 331 Q C 2.535 178.398 176.000 -0.229 0.000 0.978 331 Q CA 2.339 57.667 55.803 -0.792 0.000 0.844 331 Q CB -0.270 27.961 28.738 -0.844 0.000 0.898 331 Q HN 0.226 nan 8.270 nan 0.000 0.426 332 S N 0.414 116.071 115.700 -0.073 0.000 2.371 332 S HA -0.099 4.374 4.470 0.004 0.000 0.224 332 S C 1.463 176.138 174.600 0.125 0.000 1.029 332 S CA 0.644 58.868 58.200 0.039 0.000 0.978 332 S CB -0.263 63.001 63.200 0.108 0.000 0.833 332 S HN 0.349 nan 8.310 nan 0.000 0.466 333 F N 2.026 122.038 119.950 0.104 0.000 2.216 333 F HA -0.019 4.511 4.527 0.004 0.000 0.300 333 F C 1.759 177.681 175.800 0.204 0.000 1.085 333 F CA 0.580 58.673 58.000 0.155 0.000 1.326 333 F CB -0.283 38.838 39.000 0.202 0.000 1.027 333 F HN 0.120 nan 8.300 nan 0.000 0.497 334 L N 0.495 121.862 121.223 0.241 0.000 2.056 334 L HA 0.003 4.346 4.340 0.004 0.000 0.207 334 L C 2.498 179.405 176.870 0.062 0.000 1.078 334 L CA 1.996 56.974 54.840 0.231 0.000 0.749 334 L CB -1.306 40.893 42.059 0.233 0.000 0.901 334 L HN 0.111 nan 8.230 nan 0.000 0.433 335 A N -0.835 121.985 122.820 0.001 0.000 1.972 335 A HA -0.199 4.124 4.320 0.004 0.000 0.219 335 A C 2.240 179.776 177.584 -0.080 0.000 1.169 335 A CA 1.861 53.878 52.037 -0.033 0.000 0.635 335 A CB -0.918 18.054 19.000 -0.046 0.000 0.810 335 A HN 0.484 nan 8.150 nan 0.000 0.446 336 L N -0.288 120.849 121.223 -0.142 0.000 2.093 336 L HA -0.073 4.270 4.340 0.004 0.000 0.208 336 L C 2.301 178.968 176.870 -0.338 0.000 1.085 336 L CA 1.651 56.353 54.840 -0.229 0.000 0.755 336 L CB -0.306 41.597 42.059 -0.260 0.000 0.904 336 L HN 0.130 nan 8.230 nan 0.000 0.435 337 V N 0.033 119.737 119.914 -0.350 0.000 2.343 337 V HA -0.199 3.924 4.120 0.004 0.000 0.247 337 V C 1.444 177.509 176.094 -0.048 0.000 1.051 337 V CA 0.968 63.115 62.300 -0.255 0.000 1.036 337 V CB -0.974 30.849 31.823 -0.001 0.000 0.654 337 V HN 0.470 nan 8.190 nan 0.000 0.451 343 C N 1.063 120.426 119.300 0.104 0.000 2.450 343 C HA -0.004 4.459 4.460 0.004 0.000 0.279 343 C C 2.395 177.400 174.990 0.025 0.000 1.335 343 C CA 1.841 60.874 59.018 0.024 0.000 1.749 343 C CB -1.255 26.523 27.740 0.063 0.000 1.963 343 C HN 0.647 nan 8.230 nan 0.000 0.501 344 T N 0.577 115.198 114.554 0.112 0.000 2.777 344 T HA -0.043 4.310 4.350 0.004 0.000 0.266 344 T C 1.744 176.505 174.700 0.102 0.000 1.040 344 T CA 1.734 63.947 62.100 0.188 0.000 1.141 344 T CB -0.376 68.705 68.868 0.356 0.000 0.868 344 T HN 0.635 nan 8.240 nan 0.000 0.444 345 G N 0.704 109.516 108.800 0.020 0.000 3.383 345 G HA2 0.357 4.319 3.960 0.004 0.000 0.251 345 G HA3 0.357 4.319 3.960 0.004 0.000 0.251 345 G C 0.335 175.165 174.900 -0.116 0.000 1.203 345 G CA -0.477 44.613 45.100 -0.017 0.000 0.852 345 G HN 0.435 nan 8.290 nan 0.000 0.531 346 I N 2.420 122.892 120.570 -0.165 0.000 2.775 346 I HA 0.049 4.221 4.170 0.004 0.000 0.290 346 I C -1.393 174.671 176.117 -0.089 0.000 1.203 346 I CA -1.265 59.913 61.300 -0.204 0.000 1.433 346 I CB 0.849 38.768 38.000 -0.134 0.000 1.354 346 I HN 0.067 nan 8.210 nan 0.000 0.579 347 P HA 0.155 nan 4.420 nan 0.000 0.269 347 P C 0.177 177.449 177.300 -0.047 0.000 1.209 347 P CA 0.426 63.505 63.100 -0.034 0.000 0.776 347 P CB 0.869 32.558 31.700 -0.019 0.000 0.876 348 G N 1.230 109.980 108.800 -0.084 0.000 2.466 348 G HA2 -0.087 3.875 3.960 0.004 0.000 0.316 348 G HA3 -0.087 3.875 3.960 0.004 0.000 0.316 348 G C -1.350 173.428 174.900 -0.204 0.000 1.270 348 G CA -0.737 44.300 45.100 -0.106 0.000 0.982 348 G HN 0.719 nan 8.290 nan 0.000 0.506 349 H N -0.511 118.571 119.070 0.021 0.000 2.492 349 H HA 0.459 5.017 4.556 0.004 0.000 0.345 349 H C 1.020 176.320 175.328 -0.047 0.000 1.136 349 H CA 0.208 56.285 56.048 0.049 0.000 1.202 349 H CB 1.540 31.396 29.762 0.157 0.000 1.524 349 H HN 0.609 nan 8.280 nan 0.000 0.506 350 Y N 5.915 126.201 120.300 -0.023 0.000 1.977 350 Y HA -0.208 4.345 4.550 0.004 0.000 0.264 350 Y C -0.867 174.867 175.900 -0.276 0.000 1.167 350 Y CA 2.072 59.982 58.100 -0.318 0.000 1.102 350 Y CB -1.523 36.226 38.460 -1.185 0.000 0.948 350 Y HN 0.494 nan 8.280 nan 0.000 0.489 351 P HA -0.184 nan 4.420 nan 0.000 0.213 351 P C 1.990 178.852 177.300 -0.730 0.000 1.170 351 P CA 2.374 64.840 63.100 -1.057 0.000 0.898 351 P CB -0.285 31.012 31.700 -0.673 0.000 0.787 352 V N -0.064 119.422 119.914 -0.715 0.000 2.871 352 V HA -0.045 4.078 4.120 0.004 0.000 0.256 352 V C 1.868 177.777 176.094 -0.307 0.000 1.082 352 V CA 1.622 63.584 62.300 -0.562 0.000 1.105 352 V CB -0.833 30.512 31.823 -0.798 0.000 0.713 352 V HN 0.169 nan 8.190 nan 0.000 0.473 353 N N -0.925 117.643 118.700 -0.221 0.000 2.380 353 N HA 0.071 4.813 4.740 0.004 0.000 0.227 353 N C 0.703 176.154 175.510 -0.098 0.000 1.139 353 N CA 0.068 53.045 53.050 -0.121 0.000 0.843 353 N CB 0.861 39.317 38.487 -0.051 0.000 1.327 353 N HN 0.456 nan 8.380 nan 0.000 0.470 354 E N 1.603 121.743 120.200 -0.101 0.000 2.675 354 E HA 0.222 4.575 4.350 0.004 0.000 0.236 354 E C -0.419 176.201 176.600 0.033 0.000 1.059 354 E CA -0.061 56.326 56.400 -0.021 0.000 0.775 354 E CB 0.446 30.162 29.700 0.025 0.000 1.356 354 E HN -0.106 nan 8.360 nan 0.000 0.403 355 T N 1.715 116.281 114.554 0.019 0.000 2.881 355 T HA -0.111 4.242 4.350 0.004 0.000 0.270 355 T C 1.537 176.470 174.700 0.389 0.000 1.068 355 T CA 1.749 63.950 62.100 0.169 0.000 1.131 355 T CB 0.056 68.986 68.868 0.103 0.000 0.871 355 T HN 0.366 nan 8.240 nan 0.000 0.479 356 T N 1.846 116.576 114.554 0.293 0.000 2.720 356 T HA -0.158 4.195 4.350 0.004 0.000 0.268 356 T C 2.350 177.141 174.700 0.152 0.000 1.037 356 T CA 1.591 63.811 62.100 0.200 0.000 1.144 356 T CB -0.509 68.442 68.868 0.138 0.000 0.864 356 T HN 0.574 nan 8.240 nan 0.000 0.444 357 S N 1.016 116.833 115.700 0.196 0.000 2.383 357 S HA -0.143 4.329 4.470 0.004 0.000 0.229 357 S C 2.296 177.018 174.600 0.203 0.000 1.030 357 S CA 1.809 60.129 58.200 0.200 0.000 1.002 357 S CB -0.619 62.734 63.200 0.254 0.000 0.829 357 S HN 0.393 nan 8.310 nan 0.000 0.467 358 S N 0.802 116.613 115.700 0.185 0.000 2.399 358 S HA 0.092 4.565 4.470 0.004 0.000 0.231 358 S C 1.689 176.326 174.600 0.062 0.000 1.022 358 S CA 1.169 59.409 58.200 0.066 0.000 0.983 358 S CB -0.614 62.481 63.200 -0.175 0.000 0.803 358 S HN 0.653 nan 8.310 nan 0.000 0.480 359 L N 1.435 122.690 121.223 0.054 0.000 2.551 359 L HA 0.005 4.347 4.340 0.004 0.000 0.228 359 L C 2.369 179.225 176.870 -0.024 0.000 1.153 359 L CA 1.280 56.116 54.840 -0.007 0.000 0.851 359 L CB -0.774 41.228 42.059 -0.096 0.000 0.959 359 L HN 0.523 nan 8.230 nan 0.000 0.451 360 T N -4.189 110.368 114.554 0.004 0.000 3.065 360 T HA 0.081 4.434 4.350 0.004 0.000 0.252 360 T C 1.737 176.450 174.700 0.023 0.000 1.099 360 T CA 0.003 62.066 62.100 -0.063 0.000 1.063 360 T CB 0.007 68.861 68.868 -0.023 0.000 0.948 360 T HN 0.189 nan 8.240 nan 0.000 0.506 361 L N 1.130 122.435 121.223 0.136 0.000 2.046 361 L HA -0.057 4.285 4.340 0.004 0.000 0.208 361 L C 3.011 179.992 176.870 0.185 0.000 1.077 361 L CA 1.470 56.442 54.840 0.220 0.000 0.747 361 L CB -1.140 40.989 42.059 0.116 0.000 0.896 361 L HN 0.288 nan 8.230 nan 0.000 0.432 362 T N -0.247 114.365 114.554 0.096 0.000 2.929 362 T HA -0.215 4.138 4.350 0.004 0.000 0.271 362 T C 1.461 176.238 174.700 0.129 0.000 1.085 362 T CA 1.321 63.470 62.100 0.082 0.000 1.125 362 T CB -0.289 68.595 68.868 0.026 0.000 0.874 362 T HN 0.320 nan 8.240 nan 0.000 0.494 363 F N -0.145 119.761 119.950 -0.073 0.000 2.149 363 F HA 0.059 4.589 4.527 0.004 0.000 0.294 363 F C 1.848 177.607 175.800 -0.068 0.000 1.095 363 F CA 0.673 58.577 58.000 -0.159 0.000 1.276 363 F CB -0.450 38.307 39.000 -0.405 0.000 1.023 363 F HN 0.156 nan 8.300 nan 0.000 0.480 364 W N -0.720 120.688 121.300 0.181 0.000 2.331 364 W HA -0.274 4.389 4.660 0.005 0.000 0.291 364 W C 2.334 178.886 176.519 0.055 0.000 1.214 364 W CA 1.332 58.706 57.345 0.048 0.000 1.228 364 W CB -0.651 28.893 29.460 0.140 0.000 1.135 364 W HN 0.287 nan 8.180 nan 0.000 0.537 365 Y N 1.435 121.844 120.300 0.182 0.000 2.243 365 Y HA -0.228 4.324 4.550 0.004 0.000 0.293 365 Y C 2.774 178.682 175.900 0.014 0.000 1.124 365 Y CA 2.323 60.502 58.100 0.131 0.000 1.159 365 Y CB -0.824 37.628 38.460 -0.012 0.000 1.008 365 Y HN -0.085 nan 8.280 nan 0.000 0.527 366 T N -1.030 113.463 114.554 -0.102 0.000 2.833 366 T HA -0.218 4.135 4.350 0.004 0.000 0.269 366 T C 1.815 176.339 174.700 -0.294 0.000 1.054 366 T CA 1.374 63.338 62.100 -0.226 0.000 1.135 366 T CB -0.880 67.920 68.868 -0.113 0.000 0.869 366 T HN 0.347 nan 8.240 nan 0.000 0.466 367 L N 1.115 122.118 121.223 -0.366 0.000 2.083 367 L HA 0.053 4.395 4.340 0.004 0.000 0.209 367 L C 2.766 179.561 176.870 -0.124 0.000 1.083 367 L CA 1.940 56.628 54.840 -0.252 0.000 0.752 367 L CB -0.930 40.949 42.059 -0.301 0.000 0.899 367 L HN 0.359 nan 8.230 nan 0.000 0.433 368 Q N -0.802 118.946 119.800 -0.087 0.000 2.046 368 Q HA -0.240 4.102 4.340 0.004 0.000 0.200 368 Q C 2.005 177.875 176.000 -0.216 0.000 0.975 368 Q CA 2.053 57.740 55.803 -0.193 0.000 0.836 368 Q CB -0.254 28.429 28.738 -0.091 0.000 0.896 368 Q HN 0.510 nan 8.270 nan 0.000 0.428 369 D N -0.133 120.126 120.400 -0.236 0.000 2.144 369 D HA -0.148 4.495 4.640 0.004 0.000 0.199 369 D C 1.177 177.302 176.300 -0.291 0.000 0.984 369 D CA 1.192 55.044 54.000 -0.245 0.000 0.834 369 D CB -0.047 40.539 40.800 -0.357 0.000 0.955 369 D HN 0.329 nan 8.370 nan 0.000 0.465 370 D N 0.070 120.298 120.400 -0.286 0.000 2.097 370 D HA -0.080 4.563 4.640 0.004 0.000 0.197 370 D C 2.352 178.281 176.300 -0.618 0.000 0.984 370 D CA 0.382 54.163 54.000 -0.366 0.000 0.826 370 D CB -0.283 40.437 40.800 -0.134 0.000 0.973 370 D HN 0.314 nan 8.370 nan 0.000 0.460 371 I N 0.802 121.231 120.570 -0.236 0.000 2.208 371 I HA -0.234 3.939 4.170 0.004 0.000 0.245 371 I C 2.173 178.164 176.117 -0.210 0.000 1.097 371 I CA 0.837 62.133 61.300 -0.007 0.000 1.363 371 I CB -0.184 37.848 38.000 0.054 0.000 1.051 371 I HN -0.019 nan 8.210 nan 0.000 0.413 372 L N 0.457 121.501 121.223 -0.297 0.000 2.552 372 L HA -0.065 4.277 4.340 0.004 0.000 0.227 372 L C 2.412 179.087 176.870 -0.326 0.000 1.146 372 L CA 0.714 55.402 54.840 -0.253 0.000 0.858 372 L CB -0.460 41.459 42.059 -0.232 0.000 0.969 372 L HN 0.343 nan 8.230 nan 0.000 0.451 373 S N -0.341 114.984 115.700 -0.624 0.000 2.562 373 S HA 0.062 4.534 4.470 0.004 0.000 0.221 373 S C 0.411 174.713 174.600 -0.496 0.000 0.975 373 S CA -0.282 57.554 58.200 -0.606 0.000 0.918 373 S CB -0.280 62.520 63.200 -0.665 0.000 0.772 373 S HN 0.228 nan 8.310 nan 0.000 0.531 374 F N 0.432 120.387 119.950 0.009 0.000 2.598 374 F HA 0.799 5.328 4.527 0.004 0.000 0.327 374 F C 0.437 176.240 175.800 0.005 0.000 1.057 374 F CA -1.383 56.627 58.000 0.015 0.000 0.957 374 F CB -0.031 38.993 39.000 0.040 0.000 1.278 374 F HN 0.037 nan 8.300 nan 0.000 0.484 375 E N 0.194 120.523 120.200 0.215 0.000 2.481 375 E HA 0.374 4.726 4.350 0.004 0.000 0.263 375 E C 1.189 177.846 176.600 0.095 0.000 0.992 375 E CA 0.237 56.700 56.400 0.106 0.000 0.938 375 E CB 0.103 29.843 29.700 0.065 0.000 0.933 375 E HN 1.054 nan 8.360 nan 0.000 0.453 376 A N 1.958 124.811 122.820 0.054 0.000 2.023 376 A HA -0.120 4.202 4.320 0.004 0.000 0.223 376 A C 2.362 179.949 177.584 0.005 0.000 1.180 376 A CA 3.010 55.068 52.037 0.034 0.000 0.659 376 A CB -1.143 17.865 19.000 0.013 0.000 0.817 376 A HN 1.344 nan 8.150 nan 0.000 0.466 377 E N -0.234 119.957 120.200 -0.014 0.000 2.110 377 E HA -0.217 4.135 4.350 0.004 0.000 0.193 377 E C 2.039 178.573 176.600 -0.109 0.000 0.988 377 E CA 1.924 58.290 56.400 -0.057 0.000 0.804 377 E CB -0.499 29.167 29.700 -0.057 0.000 0.745 377 E HN 0.834 nan 8.360 nan 0.000 0.458 378 K N -0.838 119.503 120.400 -0.098 0.000 2.168 378 K HA -0.044 4.279 4.320 0.004 0.000 0.201 378 K C 2.554 179.102 176.600 -0.087 0.000 1.049 378 K CA 0.798 56.955 56.287 -0.216 0.000 0.974 378 K CB 0.054 32.391 32.500 -0.272 0.000 0.792 378 K HN 0.377 nan 8.250 nan 0.000 0.463 379 Q N 0.404 120.286 119.800 0.136 0.000 2.061 379 Q HA -0.179 4.164 4.340 0.004 0.000 0.204 379 Q C 1.797 177.882 176.000 0.142 0.000 0.984 379 Q CA 1.934 57.897 55.803 0.266 0.000 0.846 379 Q CB -0.200 28.664 28.738 0.211 0.000 0.902 379 Q HN 0.400 nan 8.270 nan 0.000 0.421 380 A N -0.201 122.646 122.820 0.044 0.000 1.930 380 A HA -0.101 4.221 4.320 0.004 0.000 0.217 380 A C 2.221 179.797 177.584 -0.013 0.000 1.175 380 A CA 1.338 53.384 52.037 0.015 0.000 0.627 380 A CB -0.667 18.325 19.000 -0.013 0.000 0.815 380 A HN 0.311 nan 8.150 nan 0.000 0.443 381 V N -1.279 118.573 119.914 -0.104 0.000 2.255 381 V HA -0.325 3.797 4.120 0.004 0.000 0.247 381 V C 2.345 178.389 176.094 -0.084 0.000 1.051 381 V CA 2.139 64.321 62.300 -0.196 0.000 1.018 381 V CB -1.039 30.527 31.823 -0.428 0.000 0.641 381 V HN 0.725 nan 8.190 nan 0.000 0.445 382 Y N -0.369 119.957 120.300 0.042 0.000 2.314 382 Y HA -0.251 4.302 4.550 0.004 0.000 0.293 382 Y C 2.723 178.748 175.900 0.208 0.000 1.129 382 Y CA 1.224 59.424 58.100 0.166 0.000 1.201 382 Y CB -0.015 38.610 38.460 0.274 0.000 0.999 382 Y HN 0.287 nan 8.280 nan 0.000 0.541 383 Q N 0.842 120.814 119.800 0.286 0.000 2.224 383 Q HA -0.230 4.112 4.340 0.004 0.000 0.203 383 Q C 2.084 178.173 176.000 0.148 0.000 0.970 383 Q CA 1.533 57.448 55.803 0.187 0.000 0.865 383 Q CB -0.030 28.767 28.738 0.098 0.000 0.922 383 Q HN 0.500 nan 8.270 nan 0.000 0.445 384 Q N -0.908 118.955 119.800 0.105 0.000 2.049 384 Q HA -0.094 4.249 4.340 0.004 0.000 0.198 384 Q C 1.915 177.953 176.000 0.063 0.000 0.971 384 Q CA 1.626 57.467 55.803 0.062 0.000 0.833 384 Q CB 0.107 28.849 28.738 0.007 0.000 0.896 384 Q HN 0.353 nan 8.270 nan 0.000 0.434 385 V N -0.011 119.924 119.914 0.034 0.000 2.295 385 V HA -0.242 3.881 4.120 0.004 0.000 0.246 385 V C 1.395 177.411 176.094 -0.130 0.000 1.049 385 V CA 1.783 64.029 62.300 -0.090 0.000 1.024 385 V CB -0.559 31.152 31.823 -0.186 0.000 0.648 385 V HN 0.443 nan 8.190 nan 0.000 0.447 386 Y N -0.929 119.542 120.300 0.285 0.000 2.457 386 Y HA 0.193 4.746 4.550 0.004 0.000 0.263 386 Y C 2.413 178.503 175.900 0.316 0.000 1.164 386 Y CA -0.105 58.191 58.100 0.326 0.000 1.274 386 Y CB -0.047 38.648 38.460 0.391 0.000 1.097 386 Y HN 0.053 nan 8.280 nan 0.000 0.523 387 R N 0.822 121.520 120.500 0.330 0.000 2.075 387 R HA -0.086 4.257 4.340 0.004 0.000 0.232 387 R C -0.617 175.943 176.300 0.433 0.000 1.126 387 R CA 1.332 57.611 56.100 0.298 0.000 0.963 387 R CB -1.227 29.233 30.300 0.267 0.000 0.858 387 R HN 0.254 nan 8.270 nan 0.000 0.435 388 P HA -0.064 nan 4.420 nan 0.000 0.221 388 P C 1.280 178.764 177.300 0.307 0.000 1.150 388 P CA 1.056 64.372 63.100 0.360 0.000 0.800 388 P CB 0.104 31.925 31.700 0.202 0.000 0.787 389 V N -1.130 118.968 119.914 0.306 0.000 2.453 389 V HA -0.200 3.922 4.120 0.004 0.000 0.247 389 V C 2.399 178.495 176.094 0.004 0.000 1.048 389 V CA 1.625 64.053 62.300 0.213 0.000 1.049 389 V CB -1.521 30.536 31.823 0.391 0.000 0.672 389 V HN -0.029 nan 8.190 nan 0.000 0.457 390 Y N -1.419 118.882 120.300 0.001 0.000 2.439 390 Y HA -0.024 4.529 4.550 0.004 0.000 0.292 390 Y C 2.071 177.828 175.900 -0.239 0.000 1.130 390 Y CA 1.149 59.132 58.100 -0.196 0.000 1.254 390 Y CB -0.349 37.977 38.460 -0.222 0.000 1.000 390 Y HN 0.188 nan 8.280 nan 0.000 0.554 391 F N -0.566 119.426 119.950 0.069 0.000 2.293 391 F HA -0.168 4.362 4.527 0.004 0.000 0.297 391 F C 2.544 178.331 175.800 -0.021 0.000 1.089 391 F CA 1.162 59.177 58.000 0.026 0.000 1.377 391 F CB -0.162 38.862 39.000 0.039 0.000 1.051 391 F HN 0.012 nan 8.300 nan 0.000 0.511 392 Q N 0.305 120.184 119.800 0.131 0.000 2.049 392 Q HA -0.203 4.140 4.340 0.004 0.000 0.198 392 Q C 2.257 178.216 176.000 -0.068 0.000 0.971 392 Q CA 1.297 57.126 55.803 0.043 0.000 0.833 392 Q CB -0.284 28.476 28.738 0.036 0.000 0.896 392 Q HN 0.417 nan 8.270 nan 0.000 0.434 393 L N 0.336 121.416 121.223 -0.238 0.000 2.042 393 L HA -0.169 4.174 4.340 0.004 0.000 0.210 393 L C 2.199 178.923 176.870 -0.243 0.000 1.076 393 L CA 1.387 55.975 54.840 -0.421 0.000 0.749 393 L CB -0.590 40.918 42.059 -0.919 0.000 0.893 393 L HN 0.046 nan 8.230 nan 0.000 0.432 394 V N -0.313 119.506 119.914 -0.159 0.000 2.343 394 V HA -0.292 3.831 4.120 0.004 0.000 0.247 394 V C 2.301 178.390 176.094 -0.008 0.000 1.051 394 V CA 2.063 64.317 62.300 -0.078 0.000 1.036 394 V CB -0.658 31.134 31.823 -0.053 0.000 0.654 394 V HN 0.505 nan 8.190 nan 0.000 0.451 395 D N -0.276 120.140 120.400 0.027 0.000 2.117 395 D HA -0.127 4.516 4.640 0.004 0.000 0.197 395 D C 2.172 178.514 176.300 0.070 0.000 0.987 395 D CA 1.425 55.462 54.000 0.062 0.000 0.829 395 D CB -0.064 40.777 40.800 0.067 0.000 0.961 395 D HN 0.314 nan 8.370 nan 0.000 0.460 396 V N 1.385 121.319 119.914 0.034 0.000 2.261 396 V HA -0.224 3.898 4.120 0.004 0.000 0.246 396 V C 2.744 178.886 176.094 0.080 0.000 1.047 396 V CA 1.143 63.482 62.300 0.065 0.000 1.015 396 V CB -0.503 31.328 31.823 0.014 0.000 0.642 396 V HN 0.190 nan 8.190 nan 0.000 0.446 397 L N -0.745 120.485 121.223 0.011 0.000 2.079 397 L HA -0.219 4.124 4.340 0.004 0.000 0.210 397 L C 2.399 179.305 176.870 0.060 0.000 1.081 397 L CA 1.509 56.355 54.840 0.010 0.000 0.752 397 L CB -0.521 41.509 42.059 -0.049 0.000 0.896 397 L HN 0.317 nan 8.230 nan 0.000 0.433 398 L N -1.280 119.995 121.223 0.086 0.000 2.141 398 L HA -0.236 4.107 4.340 0.004 0.000 0.209 398 L C 2.654 179.609 176.870 0.140 0.000 1.094 398 L CA 1.058 55.968 54.840 0.118 0.000 0.763 398 L CB -0.684 41.432 42.059 0.095 0.000 0.908 398 L HN 0.416 nan 8.230 nan 0.000 0.437 399 H N 0.496 119.604 119.070 0.063 0.000 2.395 399 H HA -0.098 4.461 4.556 0.004 0.000 0.299 399 H C 1.785 177.170 175.328 0.095 0.000 1.070 399 H CA 0.876 56.968 56.048 0.074 0.000 1.356 399 H CB 0.484 30.280 29.762 0.058 0.000 1.401 399 H HN 0.126 nan 8.280 nan 0.000 0.524 400 K N 0.487 120.879 120.400 -0.013 0.000 2.288 400 K HA 0.013 4.336 4.320 0.004 0.000 0.201 400 K C 1.893 178.658 176.600 0.276 0.000 1.048 400 K CA 0.801 57.128 56.287 0.066 0.000 0.956 400 K CB -0.021 32.603 32.500 0.205 0.000 0.746 400 K HN 0.319 nan 8.250 nan 0.000 0.461 401 A N 1.117 124.001 122.820 0.108 0.000 2.195 401 A HA -0.040 4.282 4.320 0.004 0.000 0.210 401 A C 1.161 178.699 177.584 -0.076 0.000 1.165 401 A CA -0.076 51.927 52.037 -0.056 0.000 0.806 401 A CB -0.148 18.662 19.000 -0.316 0.000 0.847 401 A HN 0.346 nan 8.150 nan 0.000 0.482 402 Q N -0.163 119.661 119.800 0.039 0.000 2.311 402 Q HA 0.285 4.627 4.340 0.004 0.000 0.272 402 Q C -0.995 175.033 176.000 0.046 0.000 1.012 402 Q CA -0.207 55.615 55.803 0.032 0.000 0.891 402 Q CB 0.131 28.920 28.738 0.085 0.000 1.201 402 Q HN 0.392 nan 8.270 nan 0.000 0.391 403 F N 5.021 124.926 119.950 -0.075 0.000 2.490 403 F HA 0.215 4.744 4.527 0.005 0.000 0.336 403 F C -1.565 174.001 175.800 -0.389 0.000 1.178 403 F CA -1.306 56.492 58.000 -0.338 0.000 1.301 403 F CB 0.168 38.908 39.000 -0.434 0.000 1.175 403 F HN 0.610 nan 8.300 nan 0.000 0.593 404 P HA 0.166 nan 4.420 nan 0.000 0.293 404 P C -1.092 176.117 177.300 -0.152 0.000 1.304 404 P CA -0.675 62.313 63.100 -0.188 0.000 0.767 404 P CB 0.475 31.954 31.700 -0.368 0.000 1.247 405 S N -0.797 114.868 115.700 -0.057 0.000 2.572 405 S HA 0.052 4.525 4.470 0.004 0.000 0.279 405 S C 0.814 175.441 174.600 0.045 0.000 1.341 405 S CA -0.247 57.942 58.200 -0.019 0.000 1.043 405 S CB -0.135 63.079 63.200 0.022 0.000 0.887 405 S HN 0.352 nan 8.310 nan 0.000 0.516 406 D N 1.961 122.436 120.400 0.124 0.000 2.172 406 D HA -0.200 4.442 4.640 0.004 0.000 0.196 406 D C 1.872 178.266 176.300 0.157 0.000 0.999 406 D CA 2.016 56.121 54.000 0.176 0.000 0.856 406 D CB -0.088 40.831 40.800 0.199 0.000 0.934 406 D HN 0.896 nan 8.370 nan 0.000 0.453 407 E N 1.116 121.404 120.200 0.147 0.000 2.047 407 E HA -0.154 4.199 4.350 0.004 0.000 0.191 407 E C 2.060 178.822 176.600 0.270 0.000 0.987 407 E CA 0.499 57.022 56.400 0.205 0.000 0.799 407 E CB -0.288 29.510 29.700 0.163 0.000 0.752 407 E HN 0.218 nan 8.360 nan 0.000 0.449 408 E N 0.809 121.104 120.200 0.158 0.000 2.038 408 E HA -0.218 4.135 4.350 0.004 0.000 0.195 408 E C 1.960 178.590 176.600 0.051 0.000 1.000 408 E CA 1.182 57.663 56.400 0.135 0.000 0.803 408 E CB -0.292 29.447 29.700 0.065 0.000 0.750 408 E HN 0.309 nan 8.360 nan 0.000 0.448 409 Y N 0.680 120.800 120.300 -0.299 0.000 2.315 409 Y HA -0.126 4.426 4.550 0.004 0.000 0.288 409 Y C 2.148 177.947 175.900 -0.168 0.000 1.154 409 Y CA 1.685 59.454 58.100 -0.553 0.000 1.229 409 Y CB -0.580 37.623 38.460 -0.429 0.000 0.980 409 Y HN 0.082 nan 8.280 nan 0.000 0.540 410 G N -1.439 107.371 108.800 0.016 0.000 2.470 410 G HA2 -0.248 3.715 3.960 0.004 0.000 0.220 410 G HA3 -0.248 3.715 3.960 0.004 0.000 0.220 410 G C 1.058 175.801 174.900 -0.261 0.000 1.121 410 G CA 0.640 45.666 45.100 -0.124 0.000 0.766 410 G HN 0.420 nan 8.290 nan 0.000 0.553 411 F N -1.382 118.579 119.950 0.017 0.000 2.695 411 F HA 0.414 4.944 4.527 0.004 0.000 0.303 411 F C 0.431 176.323 175.800 0.154 0.000 1.091 411 F CA -1.545 56.499 58.000 0.072 0.000 1.300 411 F CB 0.233 39.282 39.000 0.082 0.000 1.071 411 F HN -0.069 nan 8.300 nan 0.000 0.578 412 W N 1.762 123.023 121.300 -0.065 0.000 2.190 412 W HA 0.300 4.963 4.660 0.005 0.000 0.330 412 W C 1.050 177.480 176.519 -0.148 0.000 1.299 412 W CA -1.247 56.017 57.345 -0.136 0.000 1.215 412 W CB 0.427 29.715 29.460 -0.285 0.000 1.147 412 W HN -0.088 nan 8.180 nan 0.000 0.563 413 S N 0.887 116.615 115.700 0.047 0.000 2.600 413 S HA 0.075 4.548 4.470 0.004 0.000 0.265 413 S C 1.320 175.927 174.600 0.013 0.000 1.325 413 S CA 0.017 58.218 58.200 0.002 0.000 1.002 413 S CB 1.408 64.586 63.200 -0.037 0.000 0.921 413 S HN 0.456 nan 8.310 nan 0.000 0.554 414 S N 0.699 116.403 115.700 0.007 0.000 2.370 414 S HA -0.143 4.330 4.470 0.004 0.000 0.226 414 S C 1.301 175.928 174.600 0.046 0.000 1.033 414 S CA 1.724 59.941 58.200 0.027 0.000 1.011 414 S CB -0.927 62.284 63.200 0.018 0.000 0.852 414 S HN 0.795 nan 8.310 nan 0.000 0.457 415 D N 0.823 121.234 120.400 0.019 0.000 2.144 415 D HA -0.052 4.591 4.640 0.004 0.000 0.200 415 D C 2.011 178.324 176.300 0.023 0.000 0.978 415 D CA 0.953 54.965 54.000 0.020 0.000 0.833 415 D CB -0.384 40.410 40.800 -0.010 0.000 0.961 415 D HN 0.570 nan 8.370 nan 0.000 0.470 416 E N 0.663 120.847 120.200 -0.027 0.000 2.077 416 E HA -0.142 4.211 4.350 0.004 0.000 0.193 416 E C 2.022 178.697 176.600 0.126 0.000 0.989 416 E CA 0.907 57.248 56.400 -0.099 0.000 0.800 416 E CB 0.102 29.610 29.700 -0.320 0.000 0.746 416 E HN 0.210 nan 8.360 nan 0.000 0.452 417 K N 0.471 121.028 120.400 0.262 0.000 2.057 417 K HA -0.205 4.117 4.320 0.004 0.000 0.207 417 K C 2.178 179.036 176.600 0.430 0.000 1.049 417 K CA 1.363 57.934 56.287 0.474 0.000 0.931 417 K CB -0.035 32.648 32.500 0.305 0.000 0.714 417 K HN -0.035 nan 8.250 nan 0.000 0.440 418 E N 1.551 121.909 120.200 0.264 0.000 2.058 418 E HA -0.224 4.129 4.350 0.004 0.000 0.194 418 E C 1.914 178.657 176.600 0.238 0.000 0.997 418 E CA 1.637 58.169 56.400 0.221 0.000 0.801 418 E CB -0.068 29.718 29.700 0.143 0.000 0.746 418 E HN 0.226 nan 8.360 nan 0.000 0.450 419 Q N -1.121 118.812 119.800 0.221 0.000 2.124 419 Q HA -0.142 4.201 4.340 0.004 0.000 0.202 419 Q C 2.059 178.301 176.000 0.405 0.000 0.977 419 Q CA 1.493 57.451 55.803 0.257 0.000 0.850 419 Q CB -0.271 28.558 28.738 0.152 0.000 0.901 419 Q HN 0.418 nan 8.270 nan 0.000 0.429 420 F N 0.744 120.863 119.950 0.282 0.000 2.146 420 F HA -0.187 4.343 4.527 0.004 0.000 0.298 420 F C 2.516 178.512 175.800 0.328 0.000 1.096 420 F CA 1.125 59.346 58.000 0.369 0.000 1.275 420 F CB 0.085 39.385 39.000 0.500 0.000 1.008 420 F HN -0.079 nan 8.300 nan 0.000 0.480 421 R N 0.651 121.312 120.500 0.268 0.000 2.080 421 R HA -0.207 4.136 4.340 0.004 0.000 0.236 421 R C 2.218 178.552 176.300 0.058 0.000 1.137 421 R CA 2.331 58.507 56.100 0.127 0.000 0.943 421 R CB -0.667 29.762 30.300 0.214 0.000 0.846 421 R HN 0.371 nan 8.270 nan 0.000 0.431 422 I N -0.009 120.634 120.570 0.121 0.000 2.264 422 I HA -0.319 3.854 4.170 0.004 0.000 0.248 422 I C 2.196 178.354 176.117 0.068 0.000 1.111 422 I CA 1.441 62.796 61.300 0.092 0.000 1.382 422 I CB -0.314 37.759 38.000 0.122 0.000 1.060 422 I HN 0.303 nan 8.210 nan 0.000 0.418 423 Y N 1.112 121.369 120.300 -0.072 0.000 2.352 423 Y HA -0.200 4.353 4.550 0.004 0.000 0.292 423 Y C 2.577 178.345 175.900 -0.220 0.000 1.136 423 Y CA 1.368 59.356 58.100 -0.186 0.000 1.227 423 Y CB -0.064 38.293 38.460 -0.171 0.000 0.991 423 Y HN -0.017 nan 8.280 nan 0.000 0.545 424 R N -0.800 119.548 120.500 -0.253 0.000 2.093 424 R HA -0.085 4.258 4.340 0.004 0.000 0.224 424 R C 2.135 178.391 176.300 -0.074 0.000 1.101 424 R CA 1.241 57.165 56.100 -0.293 0.000 0.979 424 R CB -0.333 29.734 30.300 -0.388 0.000 0.877 424 R HN 0.257 nan 8.270 nan 0.000 0.441 425 V N 1.612 121.490 119.914 -0.060 0.000 2.295 425 V HA -0.258 3.864 4.120 0.004 0.000 0.246 425 V C 1.610 177.661 176.094 -0.070 0.000 1.049 425 V CA 1.901 64.177 62.300 -0.040 0.000 1.024 425 V CB -0.381 31.426 31.823 -0.028 0.000 0.648 425 V HN 0.284 nan 8.190 nan 0.000 0.447 426 D N -0.020 120.320 120.400 -0.100 0.000 2.097 426 D HA -0.126 4.517 4.640 0.004 0.000 0.195 426 D C 2.103 178.321 176.300 -0.137 0.000 0.989 426 D CA 1.424 55.354 54.000 -0.117 0.000 0.827 426 D CB -0.165 40.562 40.800 -0.123 0.000 0.966 426 D HN 0.392 nan 8.370 nan 0.000 0.456 427 I N 0.619 121.060 120.570 -0.215 0.000 2.226 427 I HA -0.237 3.936 4.170 0.004 0.000 0.245 427 I C 2.534 178.604 176.117 -0.079 0.000 1.100 427 I CA 0.645 61.839 61.300 -0.177 0.000 1.374 427 I CB -0.121 37.721 38.000 -0.264 0.000 1.057 427 I HN -0.106 nan 8.210 nan 0.000 0.413 428 S N 0.490 116.155 115.700 -0.058 0.000 2.359 428 S HA -0.236 4.236 4.470 0.004 0.000 0.224 428 S C 1.555 176.096 174.600 -0.098 0.000 1.035 428 S CA 1.904 60.024 58.200 -0.132 0.000 1.018 428 S CB -0.270 62.858 63.200 -0.119 0.000 0.876 428 S HN 0.419 nan 8.310 nan 0.000 0.448 429 D N -0.041 120.317 120.400 -0.069 0.000 2.117 429 D HA -0.072 4.570 4.640 0.004 0.000 0.197 429 D C 2.215 178.524 176.300 0.016 0.000 0.987 429 D CA 1.605 55.578 54.000 -0.044 0.000 0.829 429 D CB -0.497 40.259 40.800 -0.074 0.000 0.961 429 D HN 0.486 nan 8.370 nan 0.000 0.460 430 T N -0.750 113.817 114.554 0.022 0.000 2.904 430 T HA -0.057 4.296 4.350 0.004 0.000 0.267 430 T C 0.971 175.742 174.700 0.119 0.000 1.059 430 T CA -0.037 62.136 62.100 0.121 0.000 1.137 430 T CB -0.241 68.701 68.868 0.124 0.000 0.879 430 T HN -0.109 nan 8.240 nan 0.000 0.467 434 V N 0.829 120.769 119.914 0.043 0.000 2.427 434 V HA -0.290 3.832 4.120 0.004 0.000 0.248 434 V C 1.948 177.944 176.094 -0.163 0.000 1.051 434 V CA 2.532 64.791 62.300 -0.068 0.000 1.048 434 V CB -0.826 31.012 31.823 0.025 0.000 0.666 434 V HN 0.606 nan 8.190 nan 0.000 0.456 435 Y N 1.229 121.407 120.300 -0.203 0.000 2.256 435 Y HA -0.171 4.381 4.550 0.004 0.000 0.288 435 Y C 1.737 177.493 175.900 -0.241 0.000 1.155 435 Y CA 1.118 59.088 58.100 -0.216 0.000 1.203 435 Y CB 0.092 38.446 38.460 -0.176 0.000 0.980 435 Y HN 0.314 nan 8.280 nan 0.000 0.530 439 G N 1.492 110.054 108.800 -0.396 0.000 2.629 439 G HA2 -0.433 3.530 3.960 0.004 0.000 0.313 439 G HA3 -0.433 3.530 3.960 0.004 0.000 0.313 439 G C 1.071 175.900 174.900 -0.119 0.000 1.217 439 G CA 1.427 46.221 45.100 -0.509 0.000 0.994 439 G HN 0.668 nan 8.290 nan 0.000 0.549 440 A N -0.474 122.216 122.820 -0.216 0.000 1.882 440 A HA -0.203 4.120 4.320 0.004 0.000 0.220 440 A C 2.188 179.785 177.584 0.022 0.000 1.253 440 A CA 3.010 54.964 52.037 -0.139 0.000 0.664 440 A CB -0.978 17.856 19.000 -0.277 0.000 0.838 440 A HN 0.927 nan 8.150 nan 0.000 0.460 441 E N -0.965 119.276 120.200 0.069 0.000 2.160 441 E HA -0.197 4.156 4.350 0.004 0.000 0.195 441 E C 1.925 178.659 176.600 0.223 0.000 0.991 441 E CA 1.099 57.595 56.400 0.161 0.000 0.810 441 E CB -0.309 29.550 29.700 0.265 0.000 0.742 441 E HN 0.506 nan 8.360 nan 0.000 0.466 442 L N 1.076 122.425 121.223 0.209 0.000 2.012 442 L HA -0.188 4.155 4.340 0.004 0.000 0.210 442 L C 2.085 178.985 176.870 0.050 0.000 1.073 442 L CA 1.625 56.557 54.840 0.153 0.000 0.748 442 L CB -0.410 41.683 42.059 0.058 0.000 0.891 442 L HN 0.117 nan 8.230 nan 0.000 0.431 443 L N -1.472 119.766 121.223 0.025 0.000 2.131 443 L HA -0.184 4.159 4.340 0.004 0.000 0.210 443 L C 2.454 179.426 176.870 0.170 0.000 1.092 443 L CA 1.194 56.021 54.840 -0.021 0.000 0.759 443 L CB -0.609 41.461 42.059 0.017 0.000 0.903 443 L HN 0.235 nan 8.230 nan 0.000 0.435 444 S N -0.099 115.696 115.700 0.159 0.000 2.345 444 S HA -0.123 4.349 4.470 0.004 0.000 0.220 444 S C 1.709 176.440 174.600 0.218 0.000 1.031 444 S CA 1.241 59.560 58.200 0.198 0.000 0.996 444 S CB -0.272 63.009 63.200 0.136 0.000 0.882 444 S HN 0.436 nan 8.310 nan 0.000 0.445 445 N N 1.922 120.720 118.700 0.163 0.000 2.069 445 N HA -0.043 4.699 4.740 0.004 0.000 0.191 445 N C 1.659 177.265 175.510 0.161 0.000 1.031 445 N CA 1.037 54.170 53.050 0.139 0.000 0.852 445 N CB -0.721 37.852 38.487 0.143 0.000 1.018 445 N HN 0.308 nan 8.380 nan 0.000 0.423 446 L N -0.731 120.594 121.223 0.170 0.000 2.046 446 L HA -0.192 4.151 4.340 0.004 0.000 0.208 446 L C 2.246 179.356 176.870 0.401 0.000 1.077 446 L CA 1.183 56.155 54.840 0.220 0.000 0.747 446 L CB -0.517 41.560 42.059 0.030 0.000 0.896 446 L HN 0.188 nan 8.230 nan 0.000 0.432 447 Y N 1.100 121.616 120.300 0.361 0.000 2.224 447 Y HA -0.277 4.275 4.550 0.004 0.000 0.289 447 Y C 2.302 178.269 175.900 0.112 0.000 1.146 447 Y CA 1.599 59.835 58.100 0.227 0.000 1.182 447 Y CB -0.240 38.324 38.460 0.174 0.000 0.983 447 Y HN 0.236 nan 8.280 nan 0.000 0.524 448 D N 0.154 120.602 120.400 0.080 0.000 2.084 448 D HA -0.169 4.473 4.640 0.004 0.000 0.196 448 D C 2.041 178.309 176.300 -0.053 0.000 0.985 448 D CA 1.616 55.596 54.000 -0.033 0.000 0.826 448 D CB -0.206 40.630 40.800 0.061 0.000 0.978 448 D HN 0.390 nan 8.370 nan 0.000 0.456 449 K N 0.300 120.718 120.400 0.030 0.000 2.074 449 K HA -0.170 4.153 4.320 0.004 0.000 0.209 449 K C 2.189 178.806 176.600 0.028 0.000 1.048 449 K CA 0.633 56.951 56.287 0.052 0.000 0.926 449 K CB -0.300 32.261 32.500 0.102 0.000 0.713 449 K HN 0.043 nan 8.250 nan 0.000 0.444 450 L N 0.835 122.061 121.223 0.004 0.000 2.017 450 L HA -0.075 4.268 4.340 0.004 0.000 0.208 450 L C 2.244 179.047 176.870 -0.111 0.000 1.073 450 L CA 2.025 56.848 54.840 -0.027 0.000 0.745 450 L CB -0.916 41.125 42.059 -0.029 0.000 0.894 450 L HN 0.214 nan 8.230 nan 0.000 0.432 451 G N -1.067 107.577 108.800 -0.260 0.000 2.408 451 G HA2 -0.283 3.679 3.960 0.004 0.000 0.217 451 G HA3 -0.283 3.679 3.960 0.004 0.000 0.217 451 G C 1.769 176.583 174.900 -0.144 0.000 1.150 451 G CA 0.695 45.626 45.100 -0.283 0.000 0.776 451 G HN 0.440 nan 8.290 nan 0.000 0.542 452 R N -0.377 120.060 120.500 -0.105 0.000 2.092 452 R HA 0.057 4.399 4.340 0.004 0.000 0.231 452 R C 2.303 178.592 176.300 -0.019 0.000 1.119 452 R CA 1.122 57.194 56.100 -0.048 0.000 0.970 452 R CB -0.360 29.926 30.300 -0.024 0.000 0.864 452 R HN 0.324 nan 8.270 nan 0.000 0.440 453 L N 0.772 121.996 121.223 0.001 0.000 2.217 453 L HA 0.012 4.354 4.340 0.004 0.000 0.211 453 L C 2.355 179.238 176.870 0.022 0.000 1.107 453 L CA 1.668 56.529 54.840 0.035 0.000 0.783 453 L CB 0.049 42.170 42.059 0.102 0.000 0.919 453 L HN 0.273 nan 8.230 nan 0.000 0.442 454 L N -2.867 118.355 121.223 -0.002 0.000 2.253 454 L HA 0.335 4.677 4.340 0.004 0.000 0.205 454 L C 2.259 179.123 176.870 -0.010 0.000 1.078 454 L CA 1.818 56.656 54.840 -0.003 0.000 0.805 454 L CB -2.128 39.920 42.059 -0.018 0.000 0.963 454 L HN 0.440 nan 8.230 nan 0.000 0.459 455 T N -3.660 110.880 114.554 -0.024 0.000 2.959 455 T HA 0.502 4.854 4.350 0.004 0.000 0.254 455 T C 2.074 176.766 174.700 -0.014 0.000 1.003 455 T CA 1.611 63.700 62.100 -0.019 0.000 0.950 455 T CB -0.081 68.771 68.868 -0.027 0.000 1.090 455 T HN 0.677 nan 8.240 nan 0.000 0.503 456 S N 0.139 115.830 115.700 -0.016 0.000 2.506 456 S HA 0.549 5.022 4.470 0.004 0.000 0.230 456 S C 1.249 175.844 174.600 -0.007 0.000 1.066 456 S CA 0.789 58.982 58.200 -0.012 0.000 0.940 456 S CB 0.156 63.347 63.200 -0.015 0.000 0.818 456 S HN 0.387 nan 8.310 nan 0.000 0.518 457 S N 1.594 117.290 115.700 -0.006 0.000 2.530 457 S HA 0.542 5.015 4.470 0.004 0.000 0.322 457 S C -0.493 174.105 174.600 -0.003 0.000 1.085 457 S CA 0.163 58.360 58.200 -0.006 0.000 1.096 457 S CB 0.887 64.081 63.200 -0.010 0.000 0.988 457 S HN 0.543 nan 8.310 nan 0.000 0.466 458 E N 2.852 123.051 120.200 -0.002 0.000 1.932 458 E HA 0.523 4.876 4.350 0.004 0.000 0.275 458 E C 0.132 176.731 176.600 -0.002 0.000 1.159 458 E CA -0.031 56.370 56.400 0.002 0.000 0.905 458 E CB 0.021 29.723 29.700 0.003 0.000 1.059 458 E HN 0.993 nan 8.360 nan 0.000 0.400 459 E N 0.935 121.133 120.200 -0.003 0.000 2.316 459 E HA 0.848 5.201 4.350 0.004 0.000 0.258 459 E C -1.525 175.072 176.600 -0.004 0.000 0.952 459 E CA -1.081 55.312 56.400 -0.012 0.000 0.818 459 E CB -0.069 29.613 29.700 -0.030 0.000 1.260 459 E HN 0.955 nan 8.360 nan 0.000 0.416 460 P HA 0.503 nan 4.420 nan 0.000 0.260 460 P C 0.072 177.377 177.300 0.010 0.000 1.185 460 P CA 1.065 64.165 63.100 0.001 0.000 0.763 460 P CB -1.336 30.360 31.700 -0.006 0.000 0.776 461 Y N 1.364 121.682 120.300 0.031 0.000 2.729 461 Y HA 0.457 5.010 4.550 0.004 0.000 0.331 461 Y C 1.121 177.055 175.900 0.057 0.000 1.208 461 Y CA -0.147 57.987 58.100 0.056 0.000 1.521 461 Y CB -0.223 38.283 38.460 0.076 0.000 1.233 461 Y HN 0.965 nan 8.280 nan 0.000 0.539 462 S N 4.503 120.233 115.700 0.050 0.000 2.652 462 S HA 0.300 4.773 4.470 0.004 0.000 0.252 462 S C 0.545 175.149 174.600 0.006 0.000 1.219 462 S CA -0.226 57.958 58.200 -0.027 0.000 1.151 462 S CB -0.464 62.706 63.200 -0.049 0.000 1.080 462 S HN 1.371 nan 8.310 nan 0.000 0.481 463 W N 2.912 124.245 121.300 0.054 0.000 2.421 463 W HA -0.107 4.555 4.660 0.004 0.000 0.270 463 W C 0.639 177.201 176.519 0.072 0.000 1.233 463 W CA 0.884 58.257 57.345 0.047 0.000 1.226 463 W CB -0.908 28.558 29.460 0.009 0.000 1.121 463 W HN 0.597 nan 8.180 nan 0.000 0.579 464 Q N 0.641 119.965 119.800 -0.793 0.000 2.050 464 Q HA -0.225 4.118 4.340 0.004 0.000 0.202 464 Q C 2.135 178.053 176.000 -0.137 0.000 0.980 464 Q CA 2.371 57.755 55.803 -0.698 0.000 0.840 464 Q CB -1.007 27.305 28.738 -0.711 0.000 0.898 464 Q HN 0.439 nan 8.270 nan 0.000 0.424 465 H N -0.819 118.184 119.070 -0.111 0.000 2.457 465 H HA -0.016 4.543 4.556 0.004 0.000 0.294 465 H C 1.575 176.939 175.328 0.060 0.000 1.064 465 H CA 1.755 57.804 56.048 0.001 0.000 1.330 465 H CB 0.153 29.918 29.762 0.004 0.000 1.395 465 H HN 0.172 nan 8.280 nan 0.000 0.541 466 T N -0.084 114.540 114.554 0.116 0.000 2.812 466 T HA -0.122 4.231 4.350 0.004 0.000 0.264 466 T C 1.848 176.626 174.700 0.129 0.000 1.042 466 T CA 1.177 63.347 62.100 0.117 0.000 1.140 466 T CB -0.040 68.924 68.868 0.160 0.000 0.870 466 T HN 0.366 nan 8.240 nan 0.000 0.445 467 E N 1.298 121.613 120.200 0.192 0.000 2.110 467 E HA -0.076 4.277 4.350 0.004 0.000 0.193 467 E C 2.338 179.075 176.600 0.228 0.000 0.988 467 E CA 1.107 57.664 56.400 0.260 0.000 0.804 467 E CB -0.201 29.742 29.700 0.406 0.000 0.745 467 E HN 0.448 nan 8.360 nan 0.000 0.458 468 A N 1.177 124.070 122.820 0.121 0.000 1.873 468 A HA -0.123 4.200 4.320 0.004 0.000 0.215 468 A C 2.452 180.136 177.584 0.167 0.000 1.186 468 A CA 1.121 53.227 52.037 0.115 0.000 0.616 468 A CB -0.715 18.275 19.000 -0.017 0.000 0.823 468 A HN 0.285 nan 8.150 nan 0.000 0.442 469 L N -1.210 120.039 121.223 0.044 0.000 2.046 469 L HA -0.172 4.170 4.340 0.004 0.000 0.208 469 L C 2.567 179.564 176.870 0.211 0.000 1.077 469 L CA 1.129 56.024 54.840 0.092 0.000 0.747 469 L CB -0.474 41.610 42.059 0.041 0.000 0.896 469 L HN 0.423 nan 8.230 nan 0.000 0.432 470 L N -0.786 120.559 121.223 0.205 0.000 2.083 470 L HA -0.262 4.080 4.340 0.004 0.000 0.209 470 L C 2.470 179.492 176.870 0.254 0.000 1.083 470 L CA 1.707 56.680 54.840 0.222 0.000 0.752 470 L CB -0.734 41.428 42.059 0.170 0.000 0.899 470 L HN 0.263 nan 8.230 nan 0.000 0.433 471 Y N -0.292 120.088 120.300 0.134 0.000 2.224 471 Y HA -0.108 4.445 4.550 0.004 0.000 0.289 471 Y C 2.180 178.111 175.900 0.052 0.000 1.146 471 Y CA 1.732 59.894 58.100 0.104 0.000 1.182 471 Y CB -0.859 37.660 38.460 0.098 0.000 0.983 471 Y HN 0.144 nan 8.280 nan 0.000 0.524 472 G N -0.224 108.535 108.800 -0.069 0.000 2.446 472 G HA2 -0.302 3.660 3.960 0.004 0.000 0.217 472 G HA3 -0.302 3.660 3.960 0.004 0.000 0.217 472 G C 1.575 176.309 174.900 -0.276 0.000 1.168 472 G CA 0.998 45.944 45.100 -0.257 0.000 0.771 472 G HN 0.491 nan 8.290 nan 0.000 0.551 473 F N 0.985 120.851 119.950 -0.140 0.000 2.134 473 F HA -0.108 4.422 4.527 0.005 0.000 0.299 473 F C 3.006 178.705 175.800 -0.169 0.000 1.097 473 F CA 1.933 59.848 58.000 -0.143 0.000 1.264 473 F CB -0.117 38.836 39.000 -0.079 0.000 1.001 473 F HN 0.230 nan 8.300 nan 0.000 0.479 474 Q N 0.088 119.918 119.800 0.049 0.000 2.096 474 Q HA -0.203 4.140 4.340 0.004 0.000 0.204 474 Q C 2.031 177.952 176.000 -0.131 0.000 0.982 474 Q CA 2.180 57.979 55.803 -0.007 0.000 0.850 474 Q CB -0.230 28.536 28.738 0.047 0.000 0.901 474 Q HN 0.348 nan 8.270 nan 0.000 0.422 475 S N 0.374 115.906 115.700 -0.281 0.000 2.442 475 S HA -0.039 4.434 4.470 0.004 0.000 0.236 475 S C 1.705 176.167 174.600 -0.230 0.000 1.007 475 S CA 1.088 59.107 58.200 -0.301 0.000 0.965 475 S CB -0.015 62.911 63.200 -0.457 0.000 0.773 475 S HN 0.439 nan 8.310 nan 0.000 0.504 476 I N 0.757 121.163 120.570 -0.273 0.000 4.035 476 I HA 0.178 4.351 4.170 0.004 0.000 0.321 476 I C 2.339 178.283 176.117 -0.288 0.000 1.289 476 I CA 0.281 61.377 61.300 -0.341 0.000 1.236 476 I CB -0.256 37.385 38.000 -0.598 0.000 1.076 476 I HN 0.203 nan 8.210 nan 0.000 0.418 477 A N 0.982 123.700 122.820 -0.170 0.000 2.093 477 A HA -0.231 4.092 4.320 0.004 0.000 0.222 477 A C 2.109 179.671 177.584 -0.038 0.000 1.162 477 A CA 1.782 53.772 52.037 -0.079 0.000 0.655 477 A CB -0.464 18.533 19.000 -0.006 0.000 0.805 477 A HN 0.472 nan 8.150 nan 0.000 0.461 478 E N -1.392 118.786 120.200 -0.036 0.000 2.250 478 E HA -0.020 4.333 4.350 0.004 0.000 0.192 478 E C 0.458 177.080 176.600 0.036 0.000 0.986 478 E CA 0.915 57.322 56.400 0.010 0.000 0.849 478 E CB 0.163 29.864 29.700 0.001 0.000 0.797 478 E HN 0.495 nan 8.360 nan 0.000 0.482 479 T N 1.342 115.908 114.554 0.020 0.000 3.284 479 T HA 0.273 4.626 4.350 0.004 0.000 0.249 479 T C 0.278 175.100 174.700 0.203 0.000 0.944 479 T CA 0.017 62.181 62.100 0.106 0.000 0.919 479 T CB -0.233 68.723 68.868 0.147 0.000 1.089 479 T HN -0.008 nan 8.240 nan 0.000 0.576 480 I N 3.722 124.371 120.570 0.132 0.000 2.312 480 I HA 0.162 4.334 4.170 0.004 0.000 0.291 480 I C 0.178 176.452 176.117 0.261 0.000 1.031 480 I CA -1.101 60.321 61.300 0.204 0.000 1.293 480 I CB 0.667 38.722 38.000 0.093 0.000 1.403 480 I HN 0.304 nan 8.210 nan 0.000 0.484 481 D N 6.341 126.919 120.400 0.297 0.000 2.478 481 D HA -0.072 4.570 4.640 0.004 0.000 0.234 481 D C 1.016 177.474 176.300 0.263 0.000 1.154 481 D CA -0.212 53.934 54.000 0.244 0.000 0.874 481 D CB 1.070 42.016 40.800 0.244 0.000 1.198 481 D HN 0.455 nan 8.370 nan 0.000 0.455 482 V N 0.573 120.604 119.914 0.196 0.000 3.590 482 V HA -0.091 4.031 4.120 0.004 0.000 0.272 482 V C 2.005 178.182 176.094 0.138 0.000 1.233 482 V CA 1.880 64.289 62.300 0.181 0.000 1.182 482 V CB -1.616 30.270 31.823 0.105 0.000 0.901 482 V HN 0.769 nan 8.190 nan 0.000 0.485 483 N N -0.607 118.177 118.700 0.141 0.000 2.244 483 N HA 0.100 4.842 4.740 0.004 0.000 0.189 483 N C 0.855 176.286 175.510 -0.132 0.000 1.047 483 N CA 0.949 53.953 53.050 -0.076 0.000 0.870 483 N CB -0.348 38.008 38.487 -0.218 0.000 1.041 483 N HN 0.657 nan 8.380 nan 0.000 0.448 484 Y N -1.318 119.048 120.300 0.111 0.000 2.323 484 Y HA 0.619 5.172 4.550 0.005 0.000 0.331 484 Y C 1.135 177.114 175.900 0.131 0.000 1.092 484 Y CA -0.216 57.948 58.100 0.106 0.000 1.150 484 Y CB 1.838 40.349 38.460 0.086 0.000 1.200 484 Y HN 0.428 nan 8.280 nan 0.000 0.472 485 S N 0.611 116.462 115.700 0.251 0.000 2.874 485 S HA 0.174 4.647 4.470 0.004 0.000 0.257 485 S C 1.200 175.824 174.600 0.041 0.000 0.975 485 S CA 0.240 58.542 58.200 0.171 0.000 1.326 485 S CB -0.872 62.554 63.200 0.376 0.000 1.215 485 S HN 0.765 nan 8.310 nan 0.000 0.679 486 D N 0.869 121.304 120.400 0.058 0.000 2.203 486 D HA 0.106 4.749 4.640 0.004 0.000 0.199 486 D C 2.017 178.200 176.300 -0.195 0.000 0.997 486 D CA 2.520 56.502 54.000 -0.029 0.000 0.863 486 D CB -1.158 39.649 40.800 0.012 0.000 0.928 486 D HN 1.060 nan 8.370 nan 0.000 0.458 487 V N 0.056 119.857 119.914 -0.189 0.000 2.323 487 V HA 0.037 4.160 4.120 0.004 0.000 0.244 487 V C 2.984 178.822 176.094 -0.426 0.000 1.041 487 V CA 1.984 64.071 62.300 -0.355 0.000 1.025 487 V CB -0.607 31.192 31.823 -0.040 0.000 0.656 487 V HN 0.414 nan 8.190 nan 0.000 0.451 488 V N 0.310 119.993 119.914 -0.384 0.000 2.220 488 V HA -0.256 3.866 4.120 0.004 0.000 0.250 488 V C 0.659 176.354 176.094 -0.665 0.000 1.056 488 V CA 3.221 65.108 62.300 -0.688 0.000 1.016 488 V CB -1.853 29.164 31.823 -1.343 0.000 0.639 488 V HN 0.562 nan 8.190 nan 0.000 0.446 489 P HA -0.165 nan 4.420 nan 0.000 0.215 489 P C 1.687 178.860 177.300 -0.212 0.000 1.157 489 P CA 2.071 65.019 63.100 -0.255 0.000 0.874 489 P CB -0.400 31.261 31.700 -0.065 0.000 0.790 490 G N -0.390 108.226 108.800 -0.306 0.000 2.446 490 G HA2 -0.265 3.698 3.960 0.004 0.000 0.217 490 G HA3 -0.265 3.698 3.960 0.004 0.000 0.217 490 G C 1.494 176.437 174.900 0.072 0.000 1.168 490 G CA 0.656 45.637 45.100 -0.198 0.000 0.771 490 G HN 0.213 nan 8.290 nan 0.000 0.551 491 L N 0.734 121.876 121.223 -0.135 0.000 2.017 491 L HA 0.014 4.356 4.340 0.004 0.000 0.208 491 L C 2.599 179.364 176.870 -0.175 0.000 1.073 491 L CA 1.233 55.978 54.840 -0.158 0.000 0.745 491 L CB -0.299 41.432 42.059 -0.548 0.000 0.894 491 L HN 0.095 nan 8.230 nan 0.000 0.432 492 I N -0.128 120.305 120.570 -0.228 0.000 2.423 492 I HA -0.226 3.947 4.170 0.004 0.000 0.254 492 I C 2.381 178.456 176.117 -0.070 0.000 1.151 492 I CA 1.502 62.708 61.300 -0.158 0.000 1.421 492 I CB -2.031 35.866 38.000 -0.172 0.000 1.079 492 I HN 0.446 nan 8.210 nan 0.000 0.431 493 G N 0.310 109.085 108.800 -0.042 0.000 2.430 493 G HA2 -0.071 3.892 3.960 0.004 0.000 0.216 493 G HA3 -0.071 3.892 3.960 0.004 0.000 0.216 493 G C 1.733 176.633 174.900 -0.001 0.000 1.146 493 G CA -0.024 45.075 45.100 -0.001 0.000 0.793 493 G HN 0.322 nan 8.290 nan 0.000 0.537 494 L N 0.287 121.507 121.223 -0.005 0.000 2.291 494 L HA 0.119 4.462 4.340 0.004 0.000 0.214 494 L C 2.661 179.510 176.870 -0.035 0.000 1.120 494 L CA 0.165 54.990 54.840 -0.025 0.000 0.799 494 L CB -0.314 41.714 42.059 -0.052 0.000 0.925 494 L HN 0.181 nan 8.230 nan 0.000 0.446 495 I N 0.675 121.218 120.570 -0.044 0.000 2.163 495 I HA -0.220 3.952 4.170 0.004 0.000 0.243 495 I C -0.298 175.808 176.117 -0.019 0.000 1.085 495 I CA 1.570 62.848 61.300 -0.036 0.000 1.347 495 I CB -1.242 36.732 38.000 -0.043 0.000 1.044 495 I HN 0.229 nan 8.210 nan 0.000 0.408 496 P HA -0.057 nan 4.420 nan 0.000 0.229 496 P C 1.186 178.479 177.300 -0.012 0.000 1.160 496 P CA 1.016 64.109 63.100 -0.012 0.000 0.777 496 P CB -0.034 31.662 31.700 -0.007 0.000 0.814 497 R N -0.759 119.735 120.500 -0.011 0.000 2.299 497 R HA 0.138 4.480 4.340 0.004 0.000 0.197 497 R C 0.681 176.979 176.300 -0.004 0.000 0.971 497 R CA 0.129 56.224 56.100 -0.009 0.000 1.030 497 R CB -0.299 29.995 30.300 -0.011 0.000 0.932 497 R HN 0.283 nan 8.270 nan 0.000 0.477 498 I N 0.916 121.484 120.570 -0.002 0.000 2.519 498 I HA 0.129 4.302 4.170 0.004 0.000 0.287 498 I C 0.838 176.962 176.117 0.010 0.000 1.047 498 I CA -0.223 61.084 61.300 0.011 0.000 1.381 498 I CB 1.193 39.205 38.000 0.019 0.000 1.417 498 I HN 0.051 nan 8.210 nan 0.000 0.540 499 S N 6.325 122.039 115.700 0.022 0.000 2.523 499 S HA 0.545 5.018 4.470 0.004 0.000 0.275 499 S C 0.188 174.790 174.600 0.002 0.000 1.281 499 S CA -0.395 57.812 58.200 0.012 0.000 1.050 499 S CB 0.126 63.342 63.200 0.026 0.000 0.937 499 S HN 0.585 nan 8.310 nan 0.000 0.492 500 I N 2.747 123.306 120.570 -0.019 0.000 3.004 500 I HA 0.211 4.383 4.170 0.004 0.000 0.328 500 I C 1.460 177.533 176.117 -0.074 0.000 1.296 500 I CA -0.062 61.214 61.300 -0.040 0.000 1.005 500 I CB 0.249 38.240 38.000 -0.015 0.000 1.928 500 I HN 0.734 nan 8.210 nan 0.000 0.545 501 S N 2.011 117.651 115.700 -0.101 0.000 2.605 501 S HA 0.133 4.605 4.470 0.004 0.000 0.217 501 S C 0.607 175.054 174.600 -0.255 0.000 0.958 501 S CA 0.097 58.219 58.200 -0.131 0.000 0.919 501 S CB -0.134 63.014 63.200 -0.087 0.000 0.780 501 S HN 0.540 nan 8.310 nan 0.000 0.507 502 N N -0.741 117.747 118.700 -0.353 0.000 2.260 502 N HA 0.443 5.186 4.740 0.004 0.000 0.293 502 N C 0.752 176.001 175.510 -0.436 0.000 1.058 502 N CA -0.541 52.160 53.050 -0.583 0.000 0.824 502 N CB 1.733 39.468 38.487 -1.254 0.000 1.551 502 N HN -0.200 nan 8.380 nan 0.000 0.475 503 V N 2.008 121.701 119.914 -0.369 0.000 2.287 503 V HA -0.248 3.875 4.120 0.004 0.000 0.248 503 V C 2.214 178.163 176.094 -0.240 0.000 1.053 503 V CA 1.610 63.764 62.300 -0.243 0.000 1.027 503 V CB -0.536 31.178 31.823 -0.181 0.000 0.646 503 V HN 0.738 nan 8.190 nan 0.000 0.447 504 Q N -0.810 118.773 119.800 -0.361 0.000 2.077 504 Q HA -0.222 4.121 4.340 0.004 0.000 0.206 504 Q C 2.215 178.157 176.000 -0.098 0.000 0.989 504 Q CA 1.790 57.440 55.803 -0.256 0.000 0.853 504 Q CB -0.692 27.793 28.738 -0.421 0.000 0.907 504 Q HN 0.539 nan 8.270 nan 0.000 0.418 505 L N 0.307 121.425 121.223 -0.175 0.000 2.056 505 L HA -0.072 4.271 4.340 0.004 0.000 0.207 505 L C 2.096 178.962 176.870 -0.006 0.000 1.078 505 L CA 2.049 56.893 54.840 0.007 0.000 0.749 505 L CB -0.951 41.107 42.059 -0.001 0.000 0.901 505 L HN 0.144 nan 8.230 nan 0.000 0.433 506 A N -1.071 121.705 122.820 -0.075 0.000 1.902 506 A HA -0.208 4.114 4.320 0.004 0.000 0.217 506 A C 2.049 179.595 177.584 -0.063 0.000 1.181 506 A CA 1.821 53.824 52.037 -0.057 0.000 0.623 506 A CB -0.717 18.237 19.000 -0.076 0.000 0.818 506 A HN 0.495 nan 8.150 nan 0.000 0.443 507 D N -0.578 119.782 120.400 -0.067 0.000 2.117 507 D HA -0.093 4.550 4.640 0.004 0.000 0.197 507 D C 1.985 178.288 176.300 0.005 0.000 0.987 507 D CA 1.890 55.827 54.000 -0.105 0.000 0.829 507 D CB -0.460 40.348 40.800 0.014 0.000 0.961 507 D HN 0.403 nan 8.370 nan 0.000 0.460 508 T N 1.024 115.675 114.554 0.162 0.000 2.821 508 T HA -0.035 4.317 4.350 0.004 0.000 0.267 508 T C 1.429 176.239 174.700 0.183 0.000 1.046 508 T CA 0.173 62.439 62.100 0.277 0.000 1.139 508 T CB 0.029 69.072 68.868 0.292 0.000 0.871 508 T HN -0.089 nan 8.240 nan 0.000 0.454 512 T N 1.923 116.610 114.554 0.221 0.000 2.777 512 T HA -0.086 4.267 4.350 0.004 0.000 0.266 512 T C 1.849 176.593 174.700 0.073 0.000 1.040 512 T CA 1.612 63.787 62.100 0.125 0.000 1.141 512 T CB -0.178 68.745 68.868 0.091 0.000 0.868 512 T HN 0.170 nan 8.240 nan 0.000 0.444 513 I N 1.219 121.823 120.570 0.057 0.000 2.127 513 I HA -0.135 4.037 4.170 0.004 0.000 0.241 513 I C 2.905 179.052 176.117 0.050 0.000 1.075 513 I CA 1.446 62.765 61.300 0.032 0.000 1.334 513 I CB -0.711 37.297 38.000 0.015 0.000 1.040 513 I HN 0.324 nan 8.210 nan 0.000 0.405 514 G N 0.176 109.019 108.800 0.073 0.000 2.470 514 G HA2 -0.170 3.792 3.960 0.004 0.000 0.220 514 G HA3 -0.170 3.792 3.960 0.004 0.000 0.220 514 G C 1.737 176.679 174.900 0.070 0.000 1.121 514 G CA 0.722 45.866 45.100 0.073 0.000 0.766 514 G HN 0.507 nan 8.290 nan 0.000 0.553 515 A N 0.126 122.993 122.820 0.078 0.000 2.119 515 A HA 0.316 4.639 4.320 0.004 0.000 0.217 515 A C 1.921 179.536 177.584 0.052 0.000 1.153 515 A CA 0.443 52.511 52.037 0.052 0.000 0.692 515 A CB -0.111 18.914 19.000 0.042 0.000 0.799 515 A HN 0.347 nan 8.150 nan 0.000 0.458 516 L N -0.724 120.536 121.223 0.062 0.000 2.791 516 L HA 0.143 4.486 4.340 0.004 0.000 0.239 516 L C 2.033 178.999 176.870 0.161 0.000 1.203 516 L CA -0.012 54.889 54.840 0.101 0.000 1.002 516 L CB -0.003 42.074 42.059 0.029 0.000 1.295 516 L HN 0.304 nan 8.230 nan 0.000 0.504 517 S N 0.716 116.474 115.700 0.097 0.000 2.365 517 S HA -0.226 4.247 4.470 0.004 0.000 0.225 517 S C 1.849 176.495 174.600 0.077 0.000 1.039 517 S CA 1.869 60.108 58.200 0.065 0.000 1.033 517 S CB 0.109 63.318 63.200 0.014 0.000 0.887 517 S HN 0.535 nan 8.310 nan 0.000 0.447 518 E N -1.030 119.225 120.200 0.091 0.000 2.072 518 E HA -0.163 4.189 4.350 0.004 0.000 0.191 518 E C 1.734 178.414 176.600 0.133 0.000 0.985 518 E CA 1.124 57.572 56.400 0.080 0.000 0.801 518 E CB -0.248 29.498 29.700 0.077 0.000 0.750 518 E HN 0.721 nan 8.360 nan 0.000 0.452 519 W N 1.396 122.726 121.300 0.050 0.000 2.342 519 W HA -0.182 4.480 4.660 0.004 0.000 0.297 519 W C 1.686 178.310 176.519 0.176 0.000 1.213 519 W CA 1.301 58.707 57.345 0.101 0.000 1.251 519 W CB -0.069 29.406 29.460 0.025 0.000 1.136 519 W HN 0.008 nan 8.180 nan 0.000 0.526 520 L N 0.035 121.452 121.223 0.323 0.000 2.056 520 L HA -0.173 4.169 4.340 0.004 0.000 0.207 520 L C 2.738 179.615 176.870 0.011 0.000 1.078 520 L CA 1.190 56.146 54.840 0.194 0.000 0.749 520 L CB -1.332 40.836 42.059 0.181 0.000 0.901 520 L HN 0.055 nan 8.230 nan 0.000 0.433 521 A N 0.066 122.880 122.820 -0.010 0.000 1.958 521 A HA -0.280 4.043 4.320 0.004 0.000 0.221 521 A C 1.761 179.269 177.584 -0.127 0.000 1.178 521 A CA 2.360 54.364 52.037 -0.055 0.000 0.642 521 A CB -0.542 18.429 19.000 -0.049 0.000 0.816 521 A HN 0.395 nan 8.150 nan 0.000 0.453 522 D N -1.241 119.021 120.400 -0.228 0.000 2.323 522 D HA 0.024 4.667 4.640 0.004 0.000 0.209 522 D C 0.279 176.124 176.300 -0.758 0.000 0.973 522 D CA 0.722 54.442 54.000 -0.467 0.000 0.874 522 D CB -0.109 40.347 40.800 -0.574 0.000 0.930 522 D HN 0.679 nan 8.370 nan 0.000 0.521 523 H N -0.756 118.051 119.070 -0.439 0.000 2.336 523 H HA 0.196 4.754 4.556 0.004 0.000 0.230 523 H C -1.810 173.432 175.328 -0.143 0.000 1.426 523 H CA -1.313 54.518 56.048 -0.361 0.000 1.359 523 H CB 1.256 30.605 29.762 -0.687 0.000 1.555 523 H HN -0.012 nan 8.280 nan 0.000 0.512 524 P HA -0.186 nan 4.420 nan 0.000 0.218 524 P C 1.213 178.563 177.300 0.084 0.000 1.146 524 P CA 0.865 63.987 63.100 0.037 0.000 0.813 524 P CB 0.194 31.913 31.700 0.031 0.000 0.778 528 N N 1.631 120.359 118.700 0.046 0.000 2.289 528 N HA -0.098 4.645 4.740 0.004 0.000 0.184 528 N C 1.449 176.998 175.510 0.065 0.000 1.016 528 N CA 2.058 55.169 53.050 0.101 0.000 0.872 528 N CB 0.054 38.660 38.487 0.199 0.000 0.973 528 N HN 0.358 nan 8.380 nan 0.000 0.433 529 S N -1.530 114.203 115.700 0.055 0.000 2.561 529 S HA 0.070 4.543 4.470 0.004 0.000 0.225 529 S C 1.602 176.215 174.600 0.022 0.000 0.977 529 S CA 0.264 58.489 58.200 0.041 0.000 0.926 529 S CB 0.527 63.754 63.200 0.045 0.000 0.769 529 S HN 0.140 nan 8.310 nan 0.000 0.533 530 V N 0.051 119.971 119.914 0.010 0.000 3.251 530 V HA 0.196 4.319 4.120 0.004 0.000 0.239 530 V C 1.681 177.768 176.094 -0.013 0.000 1.332 530 V CA 0.171 62.471 62.300 -0.001 0.000 1.224 530 V CB -0.008 31.816 31.823 0.002 0.000 1.004 530 V HN 0.346 nan 8.190 nan 0.000 0.464 531 L N 2.663 123.856 121.223 -0.050 0.000 2.051 531 L HA -0.093 4.250 4.340 0.004 0.000 0.214 531 L C 0.061 176.925 176.870 -0.010 0.000 1.076 531 L CA 2.825 57.621 54.840 -0.074 0.000 0.758 531 L CB -1.340 40.590 42.059 -0.214 0.000 0.890 531 L HN 0.268 nan 8.230 nan 0.000 0.433 532 P HA -0.176 nan 4.420 nan 0.000 0.215 532 P C 2.028 179.368 177.300 0.067 0.000 1.157 532 P CA 2.689 65.821 63.100 0.053 0.000 0.863 532 P CB -0.319 31.413 31.700 0.054 0.000 0.787 533 L N 0.309 121.560 121.223 0.047 0.000 2.012 533 L HA -0.146 4.196 4.340 0.004 0.000 0.210 533 L C 2.953 179.874 176.870 0.085 0.000 1.073 533 L CA 2.632 57.510 54.840 0.064 0.000 0.748 533 L CB -2.294 39.783 42.059 0.029 0.000 0.891 533 L HN -0.086 nan 8.230 nan 0.000 0.431 534 V N -1.021 118.918 119.914 0.042 0.000 2.343 534 V HA -0.253 3.870 4.120 0.004 0.000 0.247 534 V C 2.656 178.770 176.094 0.035 0.000 1.051 534 V CA 1.748 64.061 62.300 0.023 0.000 1.036 534 V CB -0.496 31.329 31.823 0.002 0.000 0.654 534 V HN 0.628 nan 8.190 nan 0.000 0.451 535 L N -0.309 120.944 121.223 0.051 0.000 2.083 535 L HA -0.158 4.184 4.340 0.004 0.000 0.209 535 L C 2.441 179.349 176.870 0.063 0.000 1.083 535 L CA 2.166 57.041 54.840 0.057 0.000 0.752 535 L CB -0.948 41.151 42.059 0.067 0.000 0.899 535 L HN 0.566 nan 8.230 nan 0.000 0.433 536 H N -0.519 118.559 119.070 0.014 0.000 2.293 536 H HA -0.089 4.469 4.556 0.004 0.000 0.300 536 H C 2.027 177.359 175.328 0.006 0.000 1.082 536 H CA 1.676 57.729 56.048 0.008 0.000 1.308 536 H CB -0.100 29.663 29.762 0.001 0.000 1.375 536 H HN 0.260 nan 8.280 nan 0.000 0.495 537 A N 0.208 122.935 122.820 -0.156 0.000 2.178 537 A HA -0.067 4.255 4.320 0.004 0.000 0.218 537 A C 2.268 179.786 177.584 -0.109 0.000 1.157 537 A CA 1.183 53.115 52.037 -0.174 0.000 0.689 537 A CB -0.839 18.131 19.000 -0.049 0.000 0.787 537 A HN 0.479 nan 8.150 nan 0.000 0.465 538 L N -0.675 120.515 121.223 -0.054 0.000 2.201 538 L HA -0.007 4.336 4.340 0.004 0.000 0.212 538 L C 2.433 179.319 176.870 0.026 0.000 1.105 538 L CA 1.733 56.606 54.840 0.056 0.000 0.775 538 L CB -0.444 41.662 42.059 0.078 0.000 0.913 538 L HN 0.361 nan 8.230 nan 0.000 0.440 539 G N -1.531 107.206 108.800 -0.105 0.000 2.494 539 G HA2 -0.196 3.766 3.960 0.004 0.000 0.216 539 G HA3 -0.196 3.766 3.960 0.004 0.000 0.216 539 G C 0.807 175.613 174.900 -0.155 0.000 1.140 539 G CA -0.119 44.895 45.100 -0.143 0.000 0.801 539 G HN 0.325 nan 8.290 nan 0.000 0.536 540 N N 1.648 120.254 118.700 -0.158 0.000 2.406 540 N HA 0.098 4.841 4.740 0.004 0.000 0.265 540 N C -1.001 174.468 175.510 -0.069 0.000 1.203 540 N CA -1.822 51.156 53.050 -0.121 0.000 0.945 540 N CB 1.760 40.167 38.487 -0.133 0.000 1.165 540 N HN 0.021 nan 8.380 nan 0.000 0.485 541 P HA -0.147 nan 4.420 nan 0.000 0.219 541 P C 0.450 177.745 177.300 -0.009 0.000 1.146 541 P CA 1.249 64.317 63.100 -0.053 0.000 0.808 541 P CB 0.439 32.095 31.700 -0.073 0.000 0.779 542 E N -0.735 119.448 120.200 -0.028 0.000 2.482 542 E HA 0.053 4.406 4.350 0.004 0.000 0.196 542 E C 1.330 177.918 176.600 -0.019 0.000 1.047 542 E CA 0.242 56.628 56.400 -0.023 0.000 0.869 542 E CB -0.131 29.545 29.700 -0.041 0.000 0.836 542 E HN 0.342 nan 8.360 nan 0.000 0.520 543 L N -0.367 120.845 121.223 -0.018 0.000 2.959 543 L HA 0.185 4.527 4.340 0.004 0.000 0.259 543 L C 1.911 178.769 176.870 -0.020 0.000 1.185 543 L CA -0.236 54.580 54.840 -0.040 0.000 0.998 543 L CB 0.333 42.350 42.059 -0.071 0.000 1.337 543 L HN -0.005 nan 8.230 nan 0.000 0.555 544 S N 1.081 116.807 115.700 0.044 0.000 2.404 544 S HA -0.233 4.239 4.470 0.004 0.000 0.230 544 S C 1.983 176.536 174.600 -0.078 0.000 1.046 544 S CA 2.283 60.501 58.200 0.029 0.000 1.135 544 S CB -0.140 63.159 63.200 0.166 0.000 1.056 544 S HN 0.209 nan 8.310 nan 0.000 0.426 545 V N 2.092 121.997 119.914 -0.014 0.000 2.250 545 V HA -0.235 3.888 4.120 0.004 0.000 0.250 545 V C 2.869 179.066 176.094 0.170 0.000 1.060 545 V CA 2.574 64.946 62.300 0.119 0.000 1.030 545 V CB -1.284 30.654 31.823 0.192 0.000 0.643 545 V HN 0.840 nan 8.190 nan 0.000 0.445 546 S N -1.013 114.650 115.700 -0.062 0.000 2.356 546 S HA -0.239 4.233 4.470 0.004 0.000 0.223 546 S C 2.152 176.614 174.600 -0.229 0.000 1.032 546 S CA 1.777 59.712 58.200 -0.441 0.000 1.005 546 S CB -0.762 61.880 63.200 -0.930 0.000 0.867 546 S HN 0.508 nan 8.310 nan 0.000 0.449 547 S N 1.107 116.721 115.700 -0.144 0.000 2.351 547 S HA -0.097 4.376 4.470 0.004 0.000 0.220 547 S C 1.936 176.519 174.600 -0.029 0.000 1.035 547 S CA 1.593 59.745 58.200 -0.079 0.000 1.031 547 S CB -0.806 62.370 63.200 -0.041 0.000 0.928 547 S HN 0.415 nan 8.310 nan 0.000 0.433 548 V N 2.302 122.197 119.914 -0.032 0.000 2.332 548 V HA -0.143 3.980 4.120 0.004 0.000 0.248 548 V C 2.780 178.969 176.094 0.157 0.000 1.055 548 V CA 2.099 64.417 62.300 0.029 0.000 1.038 548 V CB -1.140 30.651 31.823 -0.053 0.000 0.651 548 V HN 0.795 nan 8.190 nan 0.000 0.450 549 S N -0.528 115.306 115.700 0.223 0.000 2.423 549 S HA -0.179 4.294 4.470 0.004 0.000 0.231 549 S C 1.804 176.423 174.600 0.031 0.000 1.014 549 S CA 1.724 59.975 58.200 0.085 0.000 0.965 549 S CB -0.542 62.704 63.200 0.077 0.000 0.785 549 S HN 0.615 nan 8.310 nan 0.000 0.495 550 T N 2.347 116.923 114.554 0.036 0.000 2.937 550 T HA 0.235 4.588 4.350 0.004 0.000 0.260 550 T C 1.683 176.391 174.700 0.015 0.000 1.051 550 T CA 0.651 62.763 62.100 0.021 0.000 1.141 550 T CB -0.415 68.450 68.868 -0.005 0.000 0.879 550 T HN 0.247 nan 8.240 nan 0.000 0.459 551 L N 1.269 122.506 121.223 0.022 0.000 1.971 551 L HA -0.209 4.134 4.340 0.004 0.000 0.215 551 L C 2.752 179.647 176.870 0.042 0.000 1.072 551 L CA 1.889 56.746 54.840 0.028 0.000 0.758 551 L CB -0.411 41.673 42.059 0.042 0.000 0.889 551 L HN 0.241 nan 8.230 nan 0.000 0.433 552 K N 0.113 120.553 120.400 0.066 0.000 2.059 552 K HA -0.280 4.043 4.320 0.004 0.000 0.212 552 K C 2.096 178.726 176.600 0.051 0.000 1.050 552 K CA 1.974 58.323 56.287 0.104 0.000 0.927 552 K CB -0.067 32.480 32.500 0.079 0.000 0.714 552 K HN 0.283 nan 8.250 nan 0.000 0.447 553 K N 0.384 120.780 120.400 -0.008 0.000 2.032 553 K HA -0.123 4.199 4.320 0.004 0.000 0.209 553 K C 2.224 178.779 176.600 -0.075 0.000 1.048 553 K CA 1.850 58.105 56.287 -0.053 0.000 0.927 553 K CB -0.203 32.280 32.500 -0.028 0.000 0.712 553 K HN 0.221 nan 8.250 nan 0.000 0.441 554 I N 0.797 121.343 120.570 -0.040 0.000 2.226 554 I HA -0.364 3.809 4.170 0.004 0.000 0.245 554 I C 2.447 178.517 176.117 -0.078 0.000 1.100 554 I CA 0.962 62.232 61.300 -0.050 0.000 1.374 554 I CB -0.308 37.671 38.000 -0.036 0.000 1.057 554 I HN 0.296 nan 8.210 nan 0.000 0.413 555 C N 0.268 119.542 119.300 -0.043 0.000 2.429 555 C HA -0.164 4.299 4.460 0.004 0.000 0.277 555 C C 2.984 177.865 174.990 -0.182 0.000 1.262 555 C CA 1.140 60.145 59.018 -0.022 0.000 1.733 555 C CB -1.163 26.651 27.740 0.123 0.000 2.010 555 C HN 0.500 nan 8.230 nan 0.000 0.483 556 R N 1.106 121.355 120.500 -0.419 0.000 2.081 556 R HA -0.122 4.220 4.340 0.004 0.000 0.235 556 R C 1.939 177.905 176.300 -0.558 0.000 1.131 556 R CA 1.740 57.206 56.100 -1.056 0.000 0.960 556 R CB -0.291 29.276 30.300 -1.221 0.000 0.856 556 R HN 0.409 nan 8.270 nan 0.000 0.436 557 E N 0.085 120.095 120.200 -0.317 0.000 2.152 557 E HA -0.065 4.288 4.350 0.004 0.000 0.192 557 E C 0.604 177.109 176.600 -0.160 0.000 0.983 557 E CA 0.959 57.242 56.400 -0.195 0.000 0.818 557 E CB 0.157 29.793 29.700 -0.107 0.000 0.758 557 E HN 0.447 nan 8.360 nan 0.000 0.467 558 C N 1.489 120.695 119.300 -0.158 0.000 3.094 558 C HA 0.418 4.881 4.460 0.004 0.000 0.262 558 C C 1.402 176.286 174.990 -0.177 0.000 1.459 558 C CA -1.317 57.625 59.018 -0.126 0.000 1.570 558 C CB -0.558 27.143 27.740 -0.066 0.000 2.056 558 C HN 0.185 nan 8.230 nan 0.000 0.499 559 K N 0.508 120.697 120.400 -0.353 0.000 2.032 559 K HA -0.133 4.190 4.320 0.004 0.000 0.209 559 K C 0.894 177.262 176.600 -0.387 0.000 1.048 559 K CA 1.789 57.815 56.287 -0.435 0.000 0.927 559 K CB -0.160 31.896 32.500 -0.740 0.000 0.712 559 K HN 0.603 nan 8.250 nan 0.000 0.441 560 Y N 1.089 121.379 120.300 -0.017 0.000 2.561 560 Y HA -0.041 4.512 4.550 0.004 0.000 0.291 560 Y C 0.966 176.873 175.900 0.010 0.000 1.141 560 Y CA 0.503 58.591 58.100 -0.020 0.000 1.303 560 Y CB 0.048 38.466 38.460 -0.071 0.000 1.015 560 Y HN 0.091 nan 8.280 nan 0.000 0.547 561 D N -0.843 119.622 120.400 0.108 0.000 2.469 561 D HA 0.186 4.828 4.640 0.004 0.000 0.215 561 D C 1.706 178.113 176.300 0.178 0.000 1.154 561 D CA 0.328 54.404 54.000 0.125 0.000 0.832 561 D CB 0.399 41.257 40.800 0.096 0.000 1.008 561 D HN 0.338 nan 8.370 nan 0.000 0.506 562 L N 0.012 121.321 121.223 0.143 0.000 2.585 562 L HA 0.261 4.604 4.340 0.004 0.000 0.226 562 L C -0.455 176.558 176.870 0.238 0.000 1.113 562 L CA 0.200 55.173 54.840 0.220 0.000 0.876 562 L CB -1.627 40.486 42.059 0.089 0.000 1.072 562 L HN -0.096 nan 8.230 nan 0.000 0.468 563 P HA -0.154 nan 4.420 nan 0.000 0.217 563 P C -1.202 176.147 177.300 0.082 0.000 1.151 563 P CA 2.050 65.218 63.100 0.113 0.000 0.849 563 P CB -0.754 31.002 31.700 0.093 0.000 0.787 564 P HA -0.048 nan 4.420 nan 0.000 0.245 564 P C 0.291 177.451 177.300 -0.234 0.000 1.212 564 P CA 1.179 64.198 63.100 -0.134 0.000 0.774 564 P CB -0.196 31.351 31.700 -0.255 0.000 0.999 565 Y N -1.141 119.179 120.300 0.034 0.000 2.426 565 Y HA 0.395 4.947 4.550 0.005 0.000 0.249 565 Y C 2.600 178.522 175.900 0.038 0.000 1.103 565 Y CA 0.203 58.324 58.100 0.035 0.000 1.256 565 Y CB -0.685 37.796 38.460 0.035 0.000 1.208 565 Y HN -0.123 nan 8.280 nan 0.000 0.519 566 A N 1.238 124.172 122.820 0.190 0.000 1.896 566 A HA -0.336 3.987 4.320 0.004 0.000 0.220 566 A C 2.420 180.065 177.584 0.102 0.000 1.206 566 A CA 2.799 54.913 52.037 0.129 0.000 0.647 566 A CB -1.246 17.816 19.000 0.103 0.000 0.828 566 A HN 0.428 nan 8.150 nan 0.000 0.455 567 A N -0.224 122.646 122.820 0.083 0.000 1.902 567 A HA -0.224 4.099 4.320 0.004 0.000 0.217 567 A C 1.970 179.598 177.584 0.073 0.000 1.181 567 A CA 2.282 54.360 52.037 0.068 0.000 0.623 567 A CB -0.794 18.237 19.000 0.051 0.000 0.818 567 A HN 0.705 nan 8.150 nan 0.000 0.443 568 N N 0.369 119.121 118.700 0.086 0.000 2.120 568 N HA -0.118 4.624 4.740 0.004 0.000 0.188 568 N C 1.483 177.048 175.510 0.093 0.000 1.024 568 N CA 2.022 55.126 53.050 0.090 0.000 0.852 568 N CB -0.412 38.144 38.487 0.114 0.000 1.003 568 N HN 0.524 nan 8.380 nan 0.000 0.424 569 I N -0.391 120.243 120.570 0.107 0.000 2.226 569 I HA -0.218 3.955 4.170 0.004 0.000 0.245 569 I C 1.987 178.149 176.117 0.075 0.000 1.100 569 I CA 0.788 62.142 61.300 0.089 0.000 1.374 569 I CB -0.450 37.604 38.000 0.091 0.000 1.057 569 I HN 0.037 nan 8.210 nan 0.000 0.413 570 V N 1.325 121.284 119.914 0.074 0.000 2.343 570 V HA -0.300 3.823 4.120 0.004 0.000 0.247 570 V C 2.792 178.923 176.094 0.062 0.000 1.051 570 V CA 2.008 64.347 62.300 0.065 0.000 1.036 570 V CB -0.997 30.864 31.823 0.065 0.000 0.654 570 V HN 0.493 nan 8.190 nan 0.000 0.451 571 A N -0.047 122.809 122.820 0.061 0.000 1.858 571 A HA -0.170 4.152 4.320 0.004 0.000 0.216 571 A C 2.382 179.996 177.584 0.051 0.000 1.190 571 A CA 2.238 54.306 52.037 0.053 0.000 0.617 571 A CB -0.766 18.265 19.000 0.051 0.000 0.827 571 A HN 0.343 nan 8.150 nan 0.000 0.443 572 V N 0.169 120.117 119.914 0.055 0.000 2.343 572 V HA -0.234 3.888 4.120 0.004 0.000 0.247 572 V C 2.776 178.902 176.094 0.054 0.000 1.051 572 V CA 2.323 64.653 62.300 0.051 0.000 1.036 572 V CB -1.043 30.815 31.823 0.058 0.000 0.654 572 V HN 0.562 nan 8.190 nan 0.000 0.451 573 S N -0.131 115.608 115.700 0.064 0.000 2.353 573 S HA -0.307 4.166 4.470 0.004 0.000 0.222 573 S C 2.443 177.087 174.600 0.072 0.000 1.035 573 S CA 2.011 60.255 58.200 0.074 0.000 1.025 573 S CB -0.752 62.489 63.200 0.069 0.000 0.902 573 S HN 0.759 nan 8.310 nan 0.000 0.440 574 Q N 1.288 121.129 119.800 0.067 0.000 2.096 574 Q HA -0.239 4.104 4.340 0.004 0.000 0.204 574 Q C 1.709 177.741 176.000 0.052 0.000 0.982 574 Q CA 2.164 58.011 55.803 0.073 0.000 0.850 574 Q CB -1.399 27.379 28.738 0.067 0.000 0.901 574 Q HN 0.730 nan 8.270 nan 0.000 0.422 575 D N -0.727 119.694 120.400 0.035 0.000 2.084 575 D HA -0.120 4.522 4.640 0.004 0.000 0.194 575 D C 1.754 178.053 176.300 -0.003 0.000 0.990 575 D CA 1.579 55.587 54.000 0.014 0.000 0.826 575 D CB -0.117 40.690 40.800 0.011 0.000 0.971 575 D HN 0.288 nan 8.370 nan 0.000 0.453 576 V N 0.356 120.269 119.914 -0.002 0.000 2.490 576 V HA -0.107 4.016 4.120 0.004 0.000 0.250 576 V C 1.579 177.647 176.094 -0.043 0.000 1.061 576 V CA 0.764 63.035 62.300 -0.048 0.000 1.064 576 V CB -0.341 31.468 31.823 -0.024 0.000 0.670 576 V HN 0.215 nan 8.190 nan 0.000 0.461 580 Q N 2.866 122.618 119.800 -0.080 0.000 2.580 580 Q HA 0.104 4.446 4.340 0.004 0.000 0.232 580 Q C 0.453 176.381 176.000 -0.121 0.000 1.326 580 Q CA 0.564 56.315 55.803 -0.087 0.000 0.887 580 Q CB -0.295 28.397 28.738 -0.076 0.000 1.617 580 Q HN 0.605 nan 8.270 nan 0.000 0.554 581 I N -0.294 120.160 120.570 -0.194 0.000 3.616 581 I HA -0.010 4.162 4.170 0.004 0.000 0.296 581 I C 0.166 176.076 176.117 -0.344 0.000 1.226 581 I CA 0.261 61.366 61.300 -0.324 0.000 1.394 581 I CB 0.453 38.144 38.000 -0.515 0.000 1.171 581 I HN 0.432 nan 8.210 nan 0.000 0.442 582 H N 0.268 119.310 119.070 -0.047 0.000 2.622 582 H HA 0.386 4.945 4.556 0.004 0.000 0.363 582 H C -0.565 174.718 175.328 -0.074 0.000 1.151 582 H CA -0.903 55.106 56.048 -0.065 0.000 1.184 582 H CB 1.561 31.285 29.762 -0.063 0.000 1.643 582 H HN -0.134 nan 8.280 nan 0.000 0.531 583 K N 0.497 120.920 120.400 0.038 0.000 2.202 583 K HA 0.026 4.348 4.320 0.004 0.000 0.264 583 K C 1.087 177.658 176.600 -0.050 0.000 1.010 583 K CA 0.197 56.464 56.287 -0.033 0.000 0.940 583 K CB 0.842 33.300 32.500 -0.069 0.000 0.983 583 K HN 0.770 nan 8.250 nan 0.000 0.475 584 T N -1.482 113.059 114.554 -0.020 0.000 2.714 584 T HA -0.240 4.113 4.350 0.004 0.000 0.268 584 T C 1.780 176.420 174.700 -0.100 0.000 1.036 584 T CA 1.989 64.109 62.100 0.032 0.000 1.148 584 T CB -0.286 68.635 68.868 0.087 0.000 0.856 584 T HN 0.438 nan 8.240 nan 0.000 0.462 585 S N 1.726 117.303 115.700 -0.206 0.000 2.356 585 S HA -0.117 4.356 4.470 0.004 0.000 0.223 585 S C 2.257 176.423 174.600 -0.725 0.000 1.032 585 S CA 1.252 59.219 58.200 -0.388 0.000 1.005 585 S CB -0.456 62.498 63.200 -0.411 0.000 0.867 585 S HN 0.459 nan 8.310 nan 0.000 0.449 586 Q N 0.526 119.911 119.800 -0.692 0.000 2.170 586 Q HA 0.070 4.412 4.340 0.004 0.000 0.203 586 Q C 1.205 177.017 176.000 -0.314 0.000 0.976 586 Q CA 0.394 55.777 55.803 -0.700 0.000 0.858 586 Q CB -0.882 27.550 28.738 -0.511 0.000 0.907 586 Q HN 0.480 nan 8.270 nan 0.000 0.433 593 A N 1.473 124.315 122.820 0.037 0.000 1.883 593 A HA -0.146 4.177 4.320 0.004 0.000 0.217 593 A C 1.934 179.578 177.584 0.100 0.000 1.186 593 A CA 1.510 53.629 52.037 0.137 0.000 0.624 593 A CB -0.746 18.321 19.000 0.111 0.000 0.822 593 A HN 0.283 nan 8.150 nan 0.000 0.444 594 L N -0.714 120.527 121.223 0.030 0.000 2.042 594 L HA -0.153 4.189 4.340 0.004 0.000 0.210 594 L C 2.873 179.748 176.870 0.008 0.000 1.076 594 L CA 1.142 55.995 54.840 0.023 0.000 0.749 594 L CB -0.990 41.066 42.059 -0.005 0.000 0.893 594 L HN 0.510 nan 8.230 nan 0.000 0.432 595 G N -0.283 108.473 108.800 -0.072 0.000 2.446 595 G HA2 -0.283 3.679 3.960 0.004 0.000 0.217 595 G HA3 -0.283 3.679 3.960 0.004 0.000 0.217 595 G C 1.515 176.396 174.900 -0.031 0.000 1.168 595 G CA 0.685 45.727 45.100 -0.098 0.000 0.771 595 G HN 0.270 nan 8.290 nan 0.000 0.551 596 F N -0.202 119.749 119.950 0.001 0.000 2.202 596 F HA -0.077 4.452 4.527 0.004 0.000 0.301 596 F C 2.470 178.259 175.800 -0.019 0.000 1.082 596 F CA 0.513 58.505 58.000 -0.013 0.000 1.313 596 F CB -0.060 38.923 39.000 -0.028 0.000 1.024 596 F HN 0.163 nan 8.300 nan 0.000 0.495 597 L N 0.179 121.513 121.223 0.184 0.000 2.044 597 L HA -0.139 4.204 4.340 0.004 0.000 0.205 597 L C 1.963 178.891 176.870 0.097 0.000 1.075 597 L CA 1.686 56.593 54.840 0.112 0.000 0.747 597 L CB -0.595 41.521 42.059 0.095 0.000 0.903 597 L HN 0.055 nan 8.230 nan 0.000 0.435 598 L N -0.597 120.680 121.223 0.089 0.000 2.217 598 L HA -0.116 4.227 4.340 0.004 0.000 0.211 598 L C 2.568 179.496 176.870 0.096 0.000 1.107 598 L CA 1.066 55.957 54.840 0.085 0.000 0.783 598 L CB -0.845 41.258 42.059 0.072 0.000 0.919 598 L HN 0.468 nan 8.230 nan 0.000 0.442 599 S N 0.228 115.989 115.700 0.103 0.000 2.465 599 S HA -0.127 4.345 4.470 0.004 0.000 0.241 599 S C 1.615 176.348 174.600 0.222 0.000 1.000 599 S CA 0.919 59.182 58.200 0.104 0.000 0.964 599 S CB -0.249 63.005 63.200 0.090 0.000 0.763 599 S HN 0.375 nan 8.310 nan 0.000 0.512 600 A N 0.223 123.171 122.820 0.214 0.000 2.503 600 A HA 0.615 4.937 4.320 0.004 0.000 0.263 600 A C 0.395 178.096 177.584 0.196 0.000 1.258 600 A CA -0.566 51.632 52.037 0.269 0.000 0.936 600 A CB 0.072 19.154 19.000 0.137 0.000 1.070 600 A HN 0.475 nan 8.150 nan 0.000 0.522 601 L N -0.087 121.223 121.223 0.146 0.000 2.360 601 L HA 0.577 4.919 4.340 0.004 0.000 0.271 601 L C 1.060 177.990 176.870 0.100 0.000 1.057 601 L CA -0.724 54.183 54.840 0.110 0.000 0.803 601 L CB 0.912 43.025 42.059 0.091 0.000 1.207 601 L HN 0.431 nan 8.230 nan 0.000 0.445 602 Q N 1.195 121.042 119.800 0.079 0.000 2.386 602 Q HA 0.310 4.653 4.340 0.004 0.000 0.282 602 Q C 1.219 177.254 176.000 0.059 0.000 1.050 602 Q CA 0.644 56.487 55.803 0.065 0.000 0.918 602 Q CB -0.221 28.547 28.738 0.050 0.000 1.266 602 Q HN 0.728 nan 8.270 nan 0.000 0.423 603 V N 1.205 121.151 119.914 0.052 0.000 2.277 603 V HA -0.345 3.778 4.120 0.004 0.000 0.253 603 V C 2.312 178.430 176.094 0.040 0.000 1.067 603 V CA 3.164 65.491 62.300 0.045 0.000 1.047 603 V CB -0.732 31.113 31.823 0.036 0.000 0.649 603 V HN 1.064 nan 8.190 nan 0.000 0.447 604 E N 0.134 120.354 120.200 0.033 0.000 2.204 604 E HA -0.253 4.100 4.350 0.004 0.000 0.194 604 E C 1.797 178.416 176.600 0.033 0.000 0.989 604 E CA 1.620 58.036 56.400 0.026 0.000 0.824 604 E CB -0.395 29.317 29.700 0.020 0.000 0.756 604 E HN 0.859 nan 8.360 nan 0.000 0.477 605 E N 0.584 120.809 120.200 0.041 0.000 2.158 605 E HA 0.039 4.392 4.350 0.004 0.000 0.191 605 E C 2.290 178.925 176.600 0.058 0.000 0.982 605 E CA 0.524 56.952 56.400 0.047 0.000 0.823 605 E CB -0.047 29.683 29.700 0.050 0.000 0.766 605 E HN 0.290 nan 8.360 nan 0.000 0.468 606 I N 1.101 121.708 120.570 0.061 0.000 2.315 606 I HA -0.259 3.913 4.170 0.004 0.000 0.248 606 I C 2.142 178.304 176.117 0.075 0.000 1.117 606 I CA 0.922 62.264 61.300 0.070 0.000 1.404 606 I CB -0.172 37.870 38.000 0.069 0.000 1.071 606 I HN 0.124 nan 8.210 nan 0.000 0.419 607 L N 0.888 122.148 121.223 0.062 0.000 1.988 607 L HA -0.195 4.148 4.340 0.004 0.000 0.207 607 L C 3.171 180.085 176.870 0.074 0.000 1.071 607 L CA 1.786 56.663 54.840 0.061 0.000 0.744 607 L CB -1.439 40.633 42.059 0.023 0.000 0.893 607 L HN 0.139 nan 8.230 nan 0.000 0.433 608 K N 0.465 120.896 120.400 0.053 0.000 2.059 608 K HA -0.243 4.079 4.320 0.004 0.000 0.212 608 K C 1.881 178.541 176.600 0.099 0.000 1.050 608 K CA 2.250 58.575 56.287 0.063 0.000 0.927 608 K CB -1.324 31.203 32.500 0.045 0.000 0.714 608 K HN 0.353 nan 8.250 nan 0.000 0.447 609 N N 0.029 118.781 118.700 0.087 0.000 2.188 609 N HA -0.051 4.691 4.740 0.004 0.000 0.184 609 N C 1.805 177.376 175.510 0.100 0.000 1.018 609 N CA 1.342 54.445 53.050 0.087 0.000 0.858 609 N CB -0.177 38.354 38.487 0.074 0.000 0.989 609 N HN 0.308 nan 8.380 nan 0.000 0.426 610 L N 0.542 121.834 121.223 0.114 0.000 2.046 610 L HA -0.135 4.207 4.340 0.004 0.000 0.208 610 L C 2.146 179.105 176.870 0.148 0.000 1.077 610 L CA 1.686 56.599 54.840 0.121 0.000 0.747 610 L CB -0.694 41.449 42.059 0.139 0.000 0.896 610 L HN 0.202 nan 8.230 nan 0.000 0.432 611 H N -0.968 118.138 119.070 0.060 0.000 2.321 611 H HA -0.067 4.492 4.556 0.004 0.000 0.300 611 H C 2.334 177.697 175.328 0.058 0.000 1.087 611 H CA 1.799 57.882 56.048 0.059 0.000 1.319 611 H CB -0.187 29.605 29.762 0.051 0.000 1.379 611 H HN 0.539 nan 8.280 nan 0.000 0.501 612 S N -0.105 115.677 115.700 0.138 0.000 2.419 612 S HA -0.091 4.382 4.470 0.004 0.000 0.233 612 S C 2.080 176.714 174.600 0.057 0.000 1.016 612 S CA 1.423 59.669 58.200 0.077 0.000 0.974 612 S CB -0.345 62.904 63.200 0.082 0.000 0.786 612 S HN 0.288 nan 8.310 nan 0.000 0.492 613 L N 0.523 121.787 121.223 0.069 0.000 2.145 613 L HA 0.293 4.636 4.340 0.004 0.000 0.201 613 L C 1.851 178.794 176.870 0.121 0.000 1.075 613 L CA 1.274 56.164 54.840 0.084 0.000 0.773 613 L CB -0.127 41.965 42.059 0.055 0.000 0.936 613 L HN 0.474 nan 8.230 nan 0.000 0.451 614 I N -1.157 119.451 120.570 0.063 0.000 3.035 614 I HA 0.046 4.219 4.170 0.004 0.000 0.271 614 I C 2.676 178.822 176.117 0.048 0.000 1.190 614 I CA 0.718 62.062 61.300 0.074 0.000 1.472 614 I CB -0.893 37.107 38.000 0.001 0.000 1.116 614 I HN 0.293 nan 8.210 nan 0.000 0.443 615 S N 3.215 118.858 115.700 -0.094 0.000 2.368 615 S HA -0.180 4.293 4.470 0.004 0.000 0.226 615 S C 0.503 175.058 174.600 -0.075 0.000 1.044 615 S CA 2.196 60.283 58.200 -0.187 0.000 1.062 615 S CB -1.957 61.024 63.200 -0.365 0.000 0.931 615 S HN 0.264 nan 8.310 nan 0.000 0.440 616 P HA -0.159 nan 4.420 nan 0.000 0.215 616 P C 0.739 177.955 177.300 -0.141 0.000 1.157 616 P CA 1.358 64.386 63.100 -0.120 0.000 0.868 616 P CB -0.330 31.260 31.700 -0.183 0.000 0.788 617 Y N -0.090 120.180 120.300 -0.049 0.000 2.224 617 Y HA -0.108 4.444 4.550 0.004 0.000 0.289 617 Y C 2.743 178.618 175.900 -0.042 0.000 1.146 617 Y CA 0.943 59.018 58.100 -0.042 0.000 1.182 617 Y CB -1.128 37.297 38.460 -0.058 0.000 0.983 617 Y HN -0.165 nan 8.280 nan 0.000 0.524 618 I N -0.372 120.259 120.570 0.101 0.000 2.252 618 I HA -0.327 3.845 4.170 0.004 0.000 0.245 618 I C 2.191 178.324 176.117 0.027 0.000 1.102 618 I CA 1.407 62.737 61.300 0.051 0.000 1.385 618 I CB -0.507 37.512 38.000 0.031 0.000 1.064 618 I HN 0.280 nan 8.210 nan 0.000 0.414 619 Q N 0.249 120.050 119.800 0.002 0.000 2.020 619 Q HA -0.291 4.052 4.340 0.004 0.000 0.202 619 Q C 2.235 178.230 176.000 -0.007 0.000 0.982 619 Q CA 1.731 57.530 55.803 -0.007 0.000 0.838 619 Q CB -0.213 28.509 28.738 -0.028 0.000 0.899 619 Q HN 0.328 nan 8.270 nan 0.000 0.423 620 Q N 0.849 120.633 119.800 -0.027 0.000 2.112 620 Q HA -0.207 4.136 4.340 0.004 0.000 0.206 620 Q C 1.821 177.827 176.000 0.010 0.000 0.987 620 Q CA 1.388 57.174 55.803 -0.028 0.000 0.858 620 Q CB -0.421 28.273 28.738 -0.073 0.000 0.905 620 Q HN 0.357 nan 8.270 nan 0.000 0.420 621 L N 0.468 121.708 121.223 0.029 0.000 2.083 621 L HA -0.119 4.223 4.340 0.004 0.000 0.209 621 L C 2.108 178.999 176.870 0.035 0.000 1.083 621 L CA 2.286 57.146 54.840 0.033 0.000 0.752 621 L CB -0.721 41.357 42.059 0.031 0.000 0.899 621 L HN 0.332 nan 8.230 nan 0.000 0.433 622 E N 0.133 120.352 120.200 0.033 0.000 2.110 622 E HA -0.192 4.161 4.350 0.004 0.000 0.193 622 E C 2.202 178.825 176.600 0.039 0.000 0.988 622 E CA 2.081 58.504 56.400 0.038 0.000 0.804 622 E CB -0.136 29.584 29.700 0.032 0.000 0.745 622 E HN 0.460 nan 8.360 nan 0.000 0.458 623 K N -0.125 120.292 120.400 0.029 0.000 2.228 623 K HA 0.181 4.503 4.320 0.004 0.000 0.202 623 K C 2.194 178.819 176.600 0.042 0.000 1.051 623 K CA 1.321 57.624 56.287 0.028 0.000 0.960 623 K CB -1.272 31.235 32.500 0.012 0.000 0.743 623 K HN 0.268 nan 8.250 nan 0.000 0.458 624 L N -0.484 120.769 121.223 0.049 0.000 2.375 624 L HA 0.645 4.987 4.340 0.004 0.000 0.215 624 L C 2.789 179.725 176.870 0.110 0.000 1.108 624 L CA 1.664 56.548 54.840 0.072 0.000 0.830 624 L CB -1.308 40.784 42.059 0.055 0.000 0.959 624 L HN 0.601 nan 8.230 nan 0.000 0.457 625 A N -0.055 122.820 122.820 0.092 0.000 2.066 625 A HA 0.344 4.667 4.320 0.004 0.000 0.218 625 A C 1.551 179.199 177.584 0.106 0.000 1.157 625 A CA 1.238 53.342 52.037 0.113 0.000 0.670 625 A CB -0.435 18.614 19.000 0.082 0.000 0.804 625 A HN 1.169 nan 8.150 nan 0.000 0.453 626 E N -0.371 119.877 120.200 0.079 0.000 2.969 626 E HA 0.548 4.901 4.350 0.004 0.000 0.213 626 E C -0.284 176.349 176.600 0.056 0.000 1.107 626 E CA 0.523 56.958 56.400 0.060 0.000 1.007 626 E CB -0.697 29.029 29.700 0.044 0.000 1.326 626 E HN 0.967 nan 8.360 nan 0.000 0.432 627 E N -1.036 119.206 120.200 0.071 0.000 2.421 627 E HA 0.876 5.229 4.350 0.004 0.000 0.265 627 E C 0.471 177.095 176.600 0.040 0.000 0.990 627 E CA -0.106 56.331 56.400 0.061 0.000 0.874 627 E CB 0.265 30.017 29.700 0.088 0.000 1.646 627 E HN 1.468 nan 8.360 nan 0.000 0.451 628 I N -1.640 118.947 120.570 0.027 0.000 3.468 628 I HA 0.832 5.005 4.170 0.004 0.000 0.276 628 I C -0.944 175.132 176.117 -0.067 0.000 1.182 628 I CA -0.784 60.503 61.300 -0.022 0.000 0.881 628 I CB 0.341 38.331 38.000 -0.017 0.000 1.609 628 I HN 0.823 nan 8.210 nan 0.000 0.780 629 P HA 0.301 nan 4.420 nan 0.000 0.257 629 P C -0.211 176.975 177.300 -0.189 0.000 1.737 629 P CA 0.491 63.385 63.100 -0.343 0.000 1.130 629 P CB -1.048 30.410 31.700 -0.403 0.000 1.572 630 N N -0.644 118.049 118.700 -0.012 0.000 2.445 630 N HA 0.234 4.976 4.740 0.004 0.000 0.264 630 N C -1.425 174.195 175.510 0.184 0.000 1.227 630 N CA -2.159 50.925 53.050 0.057 0.000 0.963 630 N CB 0.459 38.975 38.487 0.049 0.000 1.188 630 N HN -0.117 nan 8.380 nan 0.000 0.491 631 P HA -0.161 nan 4.420 nan 0.000 0.217 631 P C 1.084 178.467 177.300 0.137 0.000 1.151 631 P CA 1.490 64.697 63.100 0.178 0.000 0.828 631 P CB -0.092 31.672 31.700 0.107 0.000 0.788 632 S N 0.415 116.172 115.700 0.094 0.000 2.380 632 S HA -0.228 4.245 4.470 0.004 0.000 0.229 632 S C 1.948 176.594 174.600 0.078 0.000 1.043 632 S CA 1.551 59.789 58.200 0.062 0.000 1.038 632 S CB -1.548 61.679 63.200 0.044 0.000 0.872 632 S HN 0.070 nan 8.310 nan 0.000 0.456 633 N N 2.458 121.240 118.700 0.136 0.000 2.084 633 N HA -0.062 4.681 4.740 0.004 0.000 0.190 633 N C 2.222 177.798 175.510 0.110 0.000 1.030 633 N CA 2.031 55.179 53.050 0.163 0.000 0.849 633 N CB -1.079 37.583 38.487 0.292 0.000 1.012 633 N HN 0.788 nan 8.380 nan 0.000 0.423 634 K N 1.978 122.488 120.400 0.183 0.000 2.034 634 K HA -0.108 4.215 4.320 0.004 0.000 0.214 634 K C 2.371 178.893 176.600 -0.131 0.000 1.051 634 K CA 1.541 57.758 56.287 -0.117 0.000 0.931 634 K CB -1.410 31.172 32.500 0.136 0.000 0.715 634 K HN 0.182 nan 8.250 nan 0.000 0.446 635 L N -0.092 121.117 121.223 -0.023 0.000 2.013 635 L HA -0.233 4.110 4.340 0.004 0.000 0.212 635 L C 3.160 180.018 176.870 -0.020 0.000 1.073 635 L CA 1.558 56.384 54.840 -0.023 0.000 0.753 635 L CB -0.602 41.452 42.059 -0.009 0.000 0.890 635 L HN 0.546 nan 8.230 nan 0.000 0.432 636 A N 0.097 122.908 122.820 -0.015 0.000 1.883 636 A HA -0.218 4.105 4.320 0.004 0.000 0.217 636 A C 2.555 180.142 177.584 0.005 0.000 1.186 636 A CA 2.549 54.593 52.037 0.012 0.000 0.624 636 A CB -1.311 17.697 19.000 0.013 0.000 0.822 636 A HN 0.306 nan 8.150 nan 0.000 0.444 637 I N -0.988 119.526 120.570 -0.094 0.000 2.163 637 I HA -0.131 4.042 4.170 0.004 0.000 0.243 637 I C 2.586 178.600 176.117 -0.171 0.000 1.085 637 I CA 2.481 63.672 61.300 -0.182 0.000 1.347 637 I CB -1.672 36.074 38.000 -0.424 0.000 1.044 637 I HN 0.223 nan 8.210 nan 0.000 0.408 638 V N 0.168 119.978 119.914 -0.173 0.000 2.407 638 V HA -0.315 3.808 4.120 0.004 0.000 0.248 638 V C 2.571 178.624 176.094 -0.069 0.000 1.055 638 V CA 2.643 64.866 62.300 -0.130 0.000 1.049 638 V CB -1.177 30.583 31.823 -0.103 0.000 0.662 638 V HN 0.924 nan 8.190 nan 0.000 0.455 639 H N 0.265 119.274 119.070 -0.101 0.000 2.293 639 H HA -0.132 4.426 4.556 0.004 0.000 0.300 639 H C 2.087 177.357 175.328 -0.096 0.000 1.082 639 H CA 2.339 58.339 56.048 -0.080 0.000 1.308 639 H CB -0.211 29.527 29.762 -0.040 0.000 1.375 639 H HN 0.361 nan 8.280 nan 0.000 0.495 640 I N 0.001 120.533 120.570 -0.063 0.000 2.208 640 I HA -0.278 3.895 4.170 0.004 0.000 0.245 640 I C 2.319 178.301 176.117 -0.224 0.000 1.097 640 I CA 1.109 62.333 61.300 -0.127 0.000 1.363 640 I CB -0.348 37.675 38.000 0.038 0.000 1.051 640 I HN 0.279 nan 8.210 nan 0.000 0.413 641 L N 0.536 121.651 121.223 -0.180 0.000 2.042 641 L HA -0.159 4.184 4.340 0.004 0.000 0.210 641 L C 2.671 179.406 176.870 -0.225 0.000 1.076 641 L CA 1.712 56.438 54.840 -0.190 0.000 0.749 641 L CB -1.168 40.794 42.059 -0.161 0.000 0.893 641 L HN 0.337 nan 8.230 nan 0.000 0.432 642 G N -0.416 108.246 108.800 -0.231 0.000 2.471 642 G HA2 -0.143 3.820 3.960 0.004 0.000 0.219 642 G HA3 -0.143 3.820 3.960 0.004 0.000 0.219 642 G C 1.647 176.366 174.900 -0.302 0.000 1.125 642 G CA 0.246 45.209 45.100 -0.228 0.000 0.775 642 G HN 0.204 nan 8.290 nan 0.000 0.548 643 L N -0.387 120.589 121.223 -0.413 0.000 2.072 643 L HA 0.076 4.418 4.340 0.004 0.000 0.205 643 L C 2.844 179.430 176.870 -0.472 0.000 1.079 643 L CA 0.450 55.005 54.840 -0.475 0.000 0.752 643 L CB -0.296 41.379 42.059 -0.641 0.000 0.906 643 L HN 0.184 nan 8.230 nan 0.000 0.436 644 L N -0.516 120.422 121.223 -0.475 0.000 2.017 644 L HA -0.215 4.128 4.340 0.004 0.000 0.208 644 L C 2.896 179.371 176.870 -0.658 0.000 1.073 644 L CA 1.692 56.148 54.840 -0.641 0.000 0.745 644 L CB -0.649 41.147 42.059 -0.439 0.000 0.894 644 L HN 0.371 nan 8.230 nan 0.000 0.432 645 S N -0.746 114.753 115.700 -0.335 0.000 2.382 645 S HA -0.189 4.283 4.470 0.004 0.000 0.228 645 S C 1.812 176.317 174.600 -0.159 0.000 1.027 645 S CA 1.319 59.418 58.200 -0.168 0.000 0.991 645 S CB -0.575 62.552 63.200 -0.121 0.000 0.823 645 S HN 0.421 nan 8.310 nan 0.000 0.469 646 N N 1.221 119.794 118.700 -0.212 0.000 2.188 646 N HA -0.005 4.738 4.740 0.004 0.000 0.184 646 N C 1.726 177.114 175.510 -0.205 0.000 1.018 646 N CA 1.288 54.236 53.050 -0.168 0.000 0.858 646 N CB -0.394 38.004 38.487 -0.148 0.000 0.989 646 N HN 0.387 nan 8.380 nan 0.000 0.426 647 L N 0.458 121.494 121.223 -0.312 0.000 2.056 647 L HA -0.009 4.333 4.340 0.004 0.000 0.207 647 L C 1.374 178.152 176.870 -0.153 0.000 1.078 647 L CA 1.563 56.220 54.840 -0.305 0.000 0.749 647 L CB -0.718 41.066 42.059 -0.458 0.000 0.901 647 L HN -0.045 nan 8.230 nan 0.000 0.433 648 F N -0.656 119.217 119.950 -0.128 0.000 2.748 648 F HA 0.059 4.589 4.527 0.004 0.000 0.299 648 F C 2.285 178.020 175.800 -0.109 0.000 1.154 648 F CA 0.735 58.674 58.000 -0.101 0.000 1.446 648 F CB -1.649 37.300 39.000 -0.084 0.000 1.112 648 F HN 0.062 nan 8.300 nan 0.000 0.584 649 T N -1.186 113.378 114.554 0.017 0.000 2.896 649 T HA -0.080 4.273 4.350 0.004 0.000 0.263 649 T C 1.909 176.534 174.700 -0.125 0.000 1.050 649 T CA 1.827 63.900 62.100 -0.045 0.000 1.140 649 T CB -0.144 68.677 68.868 -0.079 0.000 0.877 649 T HN 0.192 nan 8.240 nan 0.000 0.457 650 T N 1.194 115.600 114.554 -0.246 0.000 3.051 650 T HA 0.264 4.617 4.350 0.004 0.000 0.255 650 T C 0.403 174.901 174.700 -0.338 0.000 1.085 650 T CA -0.115 61.662 62.100 -0.539 0.000 1.109 650 T CB 0.016 68.356 68.868 -0.879 0.000 0.921 650 T HN 0.064 nan 8.240 nan 0.000 0.488 651 L N 3.280 124.432 121.223 -0.118 0.000 2.282 651 L HA 0.496 4.839 4.340 0.004 0.000 0.287 651 L C -1.088 175.778 176.870 -0.007 0.000 1.075 651 L CA -0.373 54.453 54.840 -0.022 0.000 0.839 651 L CB 0.126 42.222 42.059 0.063 0.000 1.219 651 L HN -0.108 nan 8.230 nan 0.000 0.434 652 D N 3.615 123.987 120.400 -0.046 0.000 2.593 652 D HA 0.243 4.886 4.640 0.004 0.000 0.251 652 D C 0.791 176.893 176.300 -0.330 0.000 1.140 652 D CA -0.390 53.535 54.000 -0.124 0.000 0.855 652 D CB 1.259 42.007 40.800 -0.087 0.000 1.267 652 D HN 0.534 nan 8.370 nan 0.000 0.532 653 I N 0.244 120.647 120.570 -0.279 0.000 3.427 653 I HA 0.124 4.297 4.170 0.004 0.000 0.288 653 I C 0.858 176.735 176.117 -0.400 0.000 1.249 653 I CA -0.007 61.107 61.300 -0.309 0.000 1.421 653 I CB 0.291 38.244 38.000 -0.079 0.000 1.086 653 I HN 0.015 nan 8.210 nan 0.000 0.448 654 S N 0.163 115.607 115.700 -0.428 0.000 2.593 654 S HA 0.062 4.535 4.470 0.004 0.000 0.217 654 S C 0.361 174.709 174.600 -0.420 0.000 0.966 654 S CA -0.173 57.770 58.200 -0.428 0.000 0.914 654 S CB -0.520 62.285 63.200 -0.659 0.000 0.776 654 S HN 0.509 nan 8.310 nan 0.000 0.523 655 H N 1.623 120.572 119.070 -0.200 0.000 2.445 655 H HA -0.161 4.398 4.556 0.004 0.000 0.322 655 H C 0.694 176.000 175.328 -0.038 0.000 1.053 655 H CA 0.859 56.883 56.048 -0.040 0.000 1.109 655 H CB -1.600 28.219 29.762 0.094 0.000 1.546 655 H HN 0.546 nan 8.280 nan 0.000 0.397 656 H N -0.165 118.973 119.070 0.113 0.000 2.353 656 H HA -0.074 4.484 4.556 0.004 0.000 0.300 656 H C 1.790 177.171 175.328 0.089 0.000 1.090 656 H CA 1.354 57.453 56.048 0.084 0.000 1.327 656 H CB 0.054 29.846 29.762 0.049 0.000 1.383 656 H HN 0.844 nan 8.280 nan 0.000 0.508 674 P HA 0.435 nan 4.420 nan 0.000 0.276 674 P C -0.581 176.727 177.300 0.013 0.000 1.261 674 P CA -0.750 62.356 63.100 0.010 0.000 0.800 674 P CB 1.319 33.021 31.700 0.003 0.000 1.066 675 N N 0.592 119.299 118.700 0.011 0.000 2.458 675 N HA 0.117 4.860 4.740 0.004 0.000 0.270 675 N C -1.697 173.819 175.510 0.009 0.000 1.102 675 N CA -1.387 51.670 53.050 0.013 0.000 0.967 675 N CB 0.839 39.336 38.487 0.016 0.000 1.078 675 N HN 0.131 nan 8.380 nan 0.000 0.471 676 P HA -0.227 nan 4.420 nan 0.000 0.214 676 P C 1.180 178.490 177.300 0.017 0.000 1.163 676 P CA 0.994 64.116 63.100 0.037 0.000 0.889 676 P CB 0.157 31.893 31.700 0.060 0.000 0.790 677 V N -0.378 119.517 119.914 -0.033 0.000 2.278 677 V HA -0.258 3.865 4.120 0.004 0.000 0.251 677 V C 2.481 178.465 176.094 -0.184 0.000 1.062 677 V CA 2.157 64.328 62.300 -0.214 0.000 1.038 677 V CB -1.593 30.040 31.823 -0.317 0.000 0.646 677 V HN -0.032 nan 8.190 nan 0.000 0.447 678 V N -0.091 119.776 119.914 -0.078 0.000 2.287 678 V HA -0.252 3.870 4.120 0.004 0.000 0.248 678 V C 2.433 178.516 176.094 -0.018 0.000 1.053 678 V CA 2.165 64.438 62.300 -0.045 0.000 1.027 678 V CB -0.715 31.084 31.823 -0.040 0.000 0.646 678 V HN 0.436 nan 8.190 nan 0.000 0.447 679 V N -0.327 119.587 119.914 -0.000 0.000 2.343 679 V HA -0.224 3.899 4.120 0.004 0.000 0.247 679 V C 2.434 178.566 176.094 0.064 0.000 1.051 679 V CA 1.859 64.176 62.300 0.028 0.000 1.036 679 V CB -0.636 31.207 31.823 0.034 0.000 0.654 679 V HN 0.409 nan 8.190 nan 0.000 0.451 680 V N -0.099 119.859 119.914 0.074 0.000 2.287 680 V HA -0.276 3.846 4.120 0.004 0.000 0.248 680 V C 2.353 178.530 176.094 0.137 0.000 1.053 680 V CA 2.088 64.469 62.300 0.136 0.000 1.027 680 V CB -0.579 31.374 31.823 0.218 0.000 0.646 680 V HN 0.440 nan 8.190 nan 0.000 0.447 681 L N -0.661 120.612 121.223 0.083 0.000 1.989 681 L HA -0.277 4.065 4.340 0.004 0.000 0.211 681 L C 2.726 179.738 176.870 0.236 0.000 1.071 681 L CA 1.888 56.825 54.840 0.162 0.000 0.749 681 L CB -0.733 41.425 42.059 0.164 0.000 0.890 681 L HN 0.365 nan 8.230 nan 0.000 0.431 682 Q N -0.286 119.602 119.800 0.147 0.000 2.061 682 Q HA -0.287 4.056 4.340 0.004 0.000 0.204 682 Q C 2.183 178.275 176.000 0.153 0.000 0.984 682 Q CA 1.766 57.640 55.803 0.119 0.000 0.846 682 Q CB -0.172 28.584 28.738 0.030 0.000 0.902 682 Q HN 0.557 nan 8.270 nan 0.000 0.421 683 Q N -0.551 119.329 119.800 0.133 0.000 2.436 683 Q HA -0.047 4.295 4.340 0.004 0.000 0.209 683 Q C 1.641 177.733 176.000 0.152 0.000 0.965 683 Q CA 0.517 56.398 55.803 0.131 0.000 0.910 683 Q CB 0.443 29.252 28.738 0.119 0.000 0.980 683 Q HN 0.166 nan 8.270 nan 0.000 0.491 684 V N -0.819 119.205 119.914 0.183 0.000 3.263 684 V HA -0.081 4.041 4.120 0.004 0.000 0.248 684 V C 1.405 177.612 176.094 0.189 0.000 1.145 684 V CA 0.406 62.803 62.300 0.162 0.000 1.107 684 V CB -0.210 31.698 31.823 0.142 0.000 0.797 684 V HN 0.317 nan 8.190 nan 0.000 0.467 685 F N 1.515 121.539 119.950 0.125 0.000 2.085 685 F HA -0.389 4.141 4.527 0.004 0.000 0.299 685 F C 2.462 178.329 175.800 0.112 0.000 1.096 685 F CA 2.437 60.525 58.000 0.146 0.000 1.227 685 F CB -0.004 39.072 39.000 0.126 0.000 0.983 685 F HN 0.217 nan 8.300 nan 0.000 0.482 686 Q N -0.265 119.734 119.800 0.333 0.000 2.096 686 Q HA -0.211 4.132 4.340 0.004 0.000 0.204 686 Q C 1.981 178.061 176.000 0.133 0.000 0.982 686 Q CA 1.751 57.687 55.803 0.223 0.000 0.850 686 Q CB -0.782 28.053 28.738 0.161 0.000 0.901 686 Q HN 0.468 nan 8.270 nan 0.000 0.422 687 L N 0.202 121.488 121.223 0.105 0.000 2.027 687 L HA -0.060 4.282 4.340 0.004 0.000 0.206 687 L C 1.859 178.751 176.870 0.036 0.000 1.074 687 L CA 1.508 56.389 54.840 0.068 0.000 0.745 687 L CB -0.490 41.605 42.059 0.061 0.000 0.898 687 L HN 0.251 nan 8.230 nan 0.000 0.433 688 I N -0.744 119.822 120.570 -0.007 0.000 2.163 688 I HA -0.375 3.798 4.170 0.004 0.000 0.243 688 I C 2.523 178.615 176.117 -0.042 0.000 1.085 688 I CA 1.554 62.818 61.300 -0.060 0.000 1.347 688 I CB -0.575 37.332 38.000 -0.154 0.000 1.044 688 I HN 0.405 nan 8.210 nan 0.000 0.408 689 Q N 0.697 120.467 119.800 -0.050 0.000 2.135 689 Q HA -0.276 4.067 4.340 0.004 0.000 0.204 689 Q C 2.271 178.309 176.000 0.064 0.000 0.981 689 Q CA 1.674 57.488 55.803 0.019 0.000 0.856 689 Q CB -0.215 28.583 28.738 0.099 0.000 0.902 689 Q HN 0.427 nan 8.270 nan 0.000 0.425 690 K N 0.573 121.017 120.400 0.073 0.000 2.097 690 K HA -0.167 4.155 4.320 0.004 0.000 0.206 690 K C 2.143 178.814 176.600 0.117 0.000 1.049 690 K CA 1.226 57.565 56.287 0.088 0.000 0.933 690 K CB -0.264 32.286 32.500 0.083 0.000 0.717 690 K HN 0.217 nan 8.250 nan 0.000 0.442 691 V N 1.088 121.068 119.914 0.110 0.000 2.307 691 V HA -0.211 3.912 4.120 0.004 0.000 0.245 691 V C 2.176 178.401 176.094 0.217 0.000 1.045 691 V CA 1.851 64.248 62.300 0.161 0.000 1.024 691 V CB -0.534 31.313 31.823 0.040 0.000 0.651 691 V HN 0.189 nan 8.190 nan 0.000 0.449 692 L N 0.717 122.017 121.223 0.129 0.000 2.042 692 L HA -0.178 4.165 4.340 0.004 0.000 0.210 692 L C 3.179 180.133 176.870 0.141 0.000 1.076 692 L CA 1.775 56.694 54.840 0.132 0.000 0.749 692 L CB -0.730 41.377 42.059 0.079 0.000 0.893 692 L HN 0.577 nan 8.230 nan 0.000 0.432 693 S N 0.405 116.173 115.700 0.113 0.000 2.374 693 S HA -0.274 4.199 4.470 0.004 0.000 0.227 693 S C 2.286 176.928 174.600 0.071 0.000 1.037 693 S CA 2.522 60.772 58.200 0.083 0.000 1.024 693 S CB -0.560 62.682 63.200 0.070 0.000 0.861 693 S HN 0.378 nan 8.310 nan 0.000 0.456 694 K N -0.812 119.650 120.400 0.103 0.000 2.314 694 K HA 0.243 4.566 4.320 0.004 0.000 0.198 694 K C 1.033 177.561 176.600 -0.121 0.000 1.045 694 K CA 0.595 56.878 56.287 -0.006 0.000 0.988 694 K CB -0.629 31.871 32.500 0.001 0.000 0.783 694 K HN 0.783 nan 8.250 nan 0.000 0.484 695 W N -0.452 120.856 121.300 0.013 0.000 2.818 695 W HA 0.375 5.038 4.660 0.004 0.000 0.403 695 W C 1.877 178.404 176.519 0.013 0.000 0.991 695 W CA -0.120 57.233 57.345 0.013 0.000 1.925 695 W CB -0.437 29.032 29.460 0.014 0.000 1.166 695 W HN 0.169 nan 8.180 nan 0.000 0.605 696 L N 0.928 122.250 121.223 0.164 0.000 2.034 696 L HA -0.343 3.999 4.340 0.004 0.000 0.217 696 L C 1.779 178.706 176.870 0.095 0.000 1.077 696 L CA 3.367 58.273 54.840 0.110 0.000 0.769 696 L CB -2.033 40.062 42.059 0.061 0.000 0.890 696 L HN 0.431 nan 8.230 nan 0.000 0.435 697 N N -0.668 118.075 118.700 0.072 0.000 2.512 697 N HA -0.069 4.673 4.740 0.004 0.000 0.183 697 N C 1.131 176.696 175.510 0.091 0.000 1.073 697 N CA 0.621 53.705 53.050 0.057 0.000 0.911 697 N CB -0.426 38.074 38.487 0.021 0.000 0.964 697 N HN 0.846 nan 8.380 nan 0.000 0.447 698 D N -0.077 120.420 120.400 0.161 0.000 2.336 698 D HA 0.474 5.117 4.640 0.004 0.000 0.249 698 D C 1.129 177.511 176.300 0.137 0.000 1.213 698 D CA 0.072 54.189 54.000 0.195 0.000 0.870 698 D CB 1.327 42.361 40.800 0.392 0.000 1.076 698 D HN 0.314 nan 8.370 nan 0.000 0.483 699 A N 4.258 127.136 122.820 0.096 0.000 1.930 699 A HA -0.182 4.140 4.320 0.004 0.000 0.217 699 A C 1.943 179.562 177.584 0.059 0.000 1.175 699 A CA 1.133 53.212 52.037 0.071 0.000 0.627 699 A CB -0.180 18.855 19.000 0.059 0.000 0.815 699 A HN 0.686 nan 8.150 nan 0.000 0.443 700 Q N -0.404 119.430 119.800 0.057 0.000 2.119 700 Q HA -0.102 4.241 4.340 0.004 0.000 0.201 700 Q C 2.131 178.125 176.000 -0.009 0.000 0.972 700 Q CA 1.647 57.466 55.803 0.027 0.000 0.847 700 Q CB -0.277 28.477 28.738 0.026 0.000 0.903 700 Q HN 0.540 nan 8.270 nan 0.000 0.433 701 V N -0.048 119.855 119.914 -0.019 0.000 2.379 701 V HA -0.181 3.942 4.120 0.004 0.000 0.245 701 V C 2.228 178.292 176.094 -0.049 0.000 1.044 701 V CA 1.082 63.315 62.300 -0.111 0.000 1.036 701 V CB -0.465 31.225 31.823 -0.223 0.000 0.664 701 V HN 0.144 nan 8.190 nan 0.000 0.453 702 V N 0.236 120.163 119.914 0.022 0.000 2.287 702 V HA -0.297 3.826 4.120 0.004 0.000 0.248 702 V C 2.683 178.801 176.094 0.041 0.000 1.053 702 V CA 2.470 64.799 62.300 0.047 0.000 1.027 702 V CB -0.461 31.407 31.823 0.073 0.000 0.646 702 V HN 0.633 nan 8.190 nan 0.000 0.447 703 E N 0.451 120.671 120.200 0.033 0.000 2.085 703 E HA -0.212 4.141 4.350 0.004 0.000 0.194 703 E C 2.113 178.720 176.600 0.013 0.000 0.994 703 E CA 1.764 58.184 56.400 0.034 0.000 0.801 703 E CB -0.538 29.178 29.700 0.028 0.000 0.743 703 E HN 0.558 nan 8.360 nan 0.000 0.453 704 A N -0.113 122.695 122.820 -0.021 0.000 1.908 704 A HA -0.169 4.154 4.320 0.004 0.000 0.218 704 A C 2.529 180.081 177.584 -0.053 0.000 1.181 704 A CA 1.746 53.750 52.037 -0.054 0.000 0.627 704 A CB -0.782 18.160 19.000 -0.096 0.000 0.818 704 A HN 0.214 nan 8.150 nan 0.000 0.445 705 V N -1.117 118.782 119.914 -0.025 0.000 2.358 705 V HA -0.281 3.842 4.120 0.004 0.000 0.246 705 V C 2.644 178.796 176.094 0.096 0.000 1.047 705 V CA 1.948 64.248 62.300 0.001 0.000 1.035 705 V CB -0.871 30.983 31.823 0.052 0.000 0.658 705 V HN 0.721 nan 8.190 nan 0.000 0.452 706 C N 0.167 119.543 119.300 0.127 0.000 2.429 706 C HA -0.118 4.344 4.460 0.004 0.000 0.277 706 C C 3.068 178.138 174.990 0.132 0.000 1.262 706 C CA 0.840 59.966 59.018 0.180 0.000 1.733 706 C CB -1.316 26.498 27.740 0.124 0.000 2.010 706 C HN 0.636 nan 8.230 nan 0.000 0.483 707 A N 0.043 122.893 122.820 0.050 0.000 1.933 707 A HA -0.138 4.185 4.320 0.004 0.000 0.218 707 A C 2.059 179.634 177.584 -0.014 0.000 1.175 707 A CA 1.469 53.514 52.037 0.015 0.000 0.628 707 A CB -0.616 18.376 19.000 -0.014 0.000 0.814 707 A HN 0.600 nan 8.150 nan 0.000 0.444 708 I N -1.601 118.920 120.570 -0.082 0.000 2.151 708 I HA -0.296 3.876 4.170 0.004 0.000 0.243 708 I C 2.173 178.187 176.117 -0.173 0.000 1.080 708 I CA 1.713 62.904 61.300 -0.182 0.000 1.339 708 I CB -0.219 37.538 38.000 -0.404 0.000 1.039 708 I HN 0.385 nan 8.210 nan 0.000 0.409 709 F N 0.115 120.097 119.950 0.053 0.000 2.234 709 F HA -0.114 4.415 4.527 0.004 0.000 0.296 709 F C 2.548 178.302 175.800 -0.076 0.000 1.089 709 F CA 0.869 58.876 58.000 0.012 0.000 1.343 709 F CB -0.628 38.407 39.000 0.057 0.000 1.040 709 F HN 0.062 nan 8.300 nan 0.000 0.498 710 E N 1.499 121.775 120.200 0.127 0.000 2.058 710 E HA -0.268 4.085 4.350 0.004 0.000 0.194 710 E C 2.476 179.069 176.600 -0.011 0.000 0.997 710 E CA 2.052 58.473 56.400 0.036 0.000 0.801 710 E CB -0.020 29.702 29.700 0.037 0.000 0.746 710 E HN 0.379 nan 8.360 nan 0.000 0.450 711 K N 0.681 121.082 120.400 0.002 0.000 2.057 711 K HA -0.098 4.225 4.320 0.004 0.000 0.206 711 K C 2.188 178.788 176.600 -0.001 0.000 1.050 711 K CA 1.764 58.049 56.287 -0.003 0.000 0.935 711 K CB -1.190 31.313 32.500 0.005 0.000 0.715 711 K HN 0.407 nan 8.250 nan 0.000 0.439 712 S N 0.376 116.080 115.700 0.006 0.000 2.402 712 S HA -0.111 4.362 4.470 0.004 0.000 0.229 712 S C 2.179 176.706 174.600 -0.123 0.000 1.021 712 S CA 1.259 59.443 58.200 -0.027 0.000 0.974 712 S CB -0.403 62.776 63.200 -0.035 0.000 0.800 712 S HN 0.259 nan 8.310 nan 0.000 0.484 713 V N 2.566 122.333 119.914 -0.245 0.000 2.295 713 V HA -0.087 4.036 4.120 0.004 0.000 0.246 713 V C 3.244 179.225 176.094 -0.188 0.000 1.049 713 V CA 2.295 64.377 62.300 -0.364 0.000 1.024 713 V CB -1.409 30.176 31.823 -0.396 0.000 0.648 713 V HN 0.778 nan 8.190 nan 0.000 0.447 714 K N -0.456 119.867 120.400 -0.129 0.000 2.442 714 K HA -0.146 4.177 4.320 0.004 0.000 0.198 714 K C 1.948 178.522 176.600 -0.043 0.000 1.042 714 K CA 1.769 57.998 56.287 -0.097 0.000 0.958 714 K CB -1.142 31.311 32.500 -0.079 0.000 0.766 714 K HN 0.633 nan 8.250 nan 0.000 0.474 715 T N 0.528 115.070 114.554 -0.019 0.000 2.814 715 T HA 0.142 4.495 4.350 0.004 0.000 0.254 715 T C 0.546 175.319 174.700 0.122 0.000 1.037 715 T CA 0.944 63.071 62.100 0.044 0.000 1.143 715 T CB -0.192 68.695 68.868 0.032 0.000 0.866 715 T HN 0.496 nan 8.240 nan 0.000 0.431 716 L N 0.430 121.706 121.223 0.088 0.000 2.316 716 L HA 0.572 4.915 4.340 0.004 0.000 0.280 716 L C 0.519 177.425 176.870 0.059 0.000 1.006 716 L CA -0.326 54.618 54.840 0.174 0.000 0.836 716 L CB 0.553 42.716 42.059 0.174 0.000 1.221 716 L HN -0.064 nan 8.230 nan 0.000 0.418 717 L N 0.676 121.833 121.223 -0.109 0.000 2.095 717 L HA 0.068 4.410 4.340 0.004 0.000 0.204 717 L C 1.197 177.995 176.870 -0.120 0.000 1.080 717 L CA 0.971 55.690 54.840 -0.202 0.000 0.759 717 L CB -0.089 41.749 42.059 -0.367 0.000 0.914 717 L HN 0.741 nan 8.230 nan 0.000 0.439 718 D N -1.018 119.385 120.400 0.005 0.000 2.379 718 D HA -0.068 4.575 4.640 0.004 0.000 0.218 718 D C 0.967 177.408 176.300 0.234 0.000 1.006 718 D CA 0.453 54.532 54.000 0.131 0.000 0.893 718 D CB -0.034 40.835 40.800 0.116 0.000 1.019 718 D HN 0.193 nan 8.370 nan 0.000 0.503 719 D N 0.283 120.804 120.400 0.201 0.000 2.379 719 D HA -0.067 4.576 4.640 0.004 0.000 0.243 719 D C 0.826 177.251 176.300 0.207 0.000 1.088 719 D CA 0.079 54.181 54.000 0.171 0.000 0.925 719 D CB -0.278 40.613 40.800 0.151 0.000 0.888 719 D HN 0.177 nan 8.370 nan 0.000 0.529 720 F N 0.548 120.586 119.950 0.146 0.000 2.695 720 F HA 0.323 4.853 4.527 0.005 0.000 0.303 720 F C 1.977 177.826 175.800 0.083 0.000 1.091 720 F CA -0.268 57.824 58.000 0.154 0.000 1.300 720 F CB 0.251 39.398 39.000 0.246 0.000 1.071 720 F HN -0.067 nan 8.300 nan 0.000 0.578 721 A N 1.056 123.867 122.820 -0.015 0.000 1.896 721 A HA -0.153 4.169 4.320 0.004 0.000 0.220 721 A C -1.062 176.209 177.584 -0.520 0.000 1.206 721 A CA 1.316 53.040 52.037 -0.521 0.000 0.647 721 A CB -2.243 16.284 19.000 -0.788 0.000 0.828 721 A HN 0.304 nan 8.150 nan 0.000 0.455 725 P HA -0.234 nan 4.420 nan 0.000 0.216 725 P C 1.246 178.461 177.300 -0.141 0.000 1.154 725 P CA 1.926 64.944 63.100 -0.138 0.000 0.865 725 P CB 0.033 31.649 31.700 -0.141 0.000 0.789 726 Q N -0.933 118.735 119.800 -0.219 0.000 2.119 726 Q HA -0.099 4.244 4.340 0.004 0.000 0.201 726 Q C 2.359 178.328 176.000 -0.051 0.000 0.972 726 Q CA 0.774 56.400 55.803 -0.296 0.000 0.847 726 Q CB -0.638 27.666 28.738 -0.724 0.000 0.903 726 Q HN 0.160 nan 8.270 nan 0.000 0.433 727 L N 0.278 121.484 121.223 -0.027 0.000 2.093 727 L HA -0.118 4.224 4.340 0.004 0.000 0.208 727 L C 2.035 178.906 176.870 0.001 0.000 1.085 727 L CA 1.534 56.366 54.840 -0.014 0.000 0.755 727 L CB -0.482 41.583 42.059 0.011 0.000 0.904 727 L HN 0.254 nan 8.230 nan 0.000 0.435 728 C N -0.299 119.004 119.300 0.004 0.000 2.446 728 C HA -0.069 4.394 4.460 0.004 0.000 0.277 728 C C 1.535 176.533 174.990 0.014 0.000 1.275 728 C CA -0.188 58.835 59.018 0.007 0.000 1.727 728 C CB -0.859 26.874 27.740 -0.011 0.000 2.010 728 C HN 0.520 nan 8.230 nan 0.000 0.486 732 G N 0.912 109.745 108.800 0.055 0.000 2.408 732 G HA2 -0.151 3.812 3.960 0.004 0.000 0.217 732 G HA3 -0.151 3.812 3.960 0.004 0.000 0.217 732 G C 0.873 175.825 174.900 0.087 0.000 1.150 732 G CA 0.536 45.673 45.100 0.063 0.000 0.776 732 G HN 0.213 nan 8.290 nan 0.000 0.542 736 S N -0.381 115.373 115.700 0.090 0.000 2.428 736 S HA -0.046 4.426 4.470 0.004 0.000 0.230 736 S C 1.682 176.263 174.600 -0.032 0.000 1.014 736 S CA 1.986 60.198 58.200 0.021 0.000 0.957 736 S CB -0.469 62.757 63.200 0.043 0.000 0.784 736 S HN 0.393 nan 8.310 nan 0.000 0.499 737 T N 0.751 115.291 114.554 -0.023 0.000 2.818 737 T HA 0.355 4.708 4.350 0.004 0.000 0.246 737 T C 0.355 175.012 174.700 -0.071 0.000 1.036 737 T CA 0.558 62.639 62.100 -0.031 0.000 1.160 737 T CB -0.022 68.846 68.868 -0.000 0.000 0.869 737 T HN 0.358 nan 8.240 nan 0.000 0.419 738 I N 2.371 122.892 120.570 -0.081 0.000 2.476 738 I HA 0.326 4.499 4.170 0.004 0.000 0.281 738 I C -2.866 173.128 176.117 -0.206 0.000 1.040 738 I CA -2.414 58.816 61.300 -0.117 0.000 1.094 738 I CB 2.288 40.260 38.000 -0.047 0.000 1.219 738 I HN -0.042 nan 8.210 nan 0.000 0.450 739 P HA 0.165 nan 4.420 nan 0.000 0.271 739 P C -1.128 175.989 177.300 -0.306 0.000 1.233 739 P CA 0.017 62.675 63.100 -0.737 0.000 0.764 739 P CB 0.478 31.687 31.700 -0.817 0.000 0.825 740 Q N 1.671 121.445 119.800 -0.045 0.000 2.379 740 Q HA 0.523 4.865 4.340 0.004 0.000 0.278 740 Q C 0.491 176.639 176.000 0.247 0.000 1.068 740 Q CA -0.908 54.954 55.803 0.097 0.000 0.816 740 Q CB 2.210 31.001 28.738 0.088 0.000 1.387 740 Q HN 0.300 nan 8.270 nan 0.000 0.413 741 A N 0.993 123.918 122.820 0.175 0.000 2.019 741 A HA -0.176 4.146 4.320 0.004 0.000 0.219 741 A C 1.989 179.656 177.584 0.138 0.000 1.164 741 A CA 2.101 54.241 52.037 0.172 0.000 0.644 741 A CB -0.458 18.622 19.000 0.135 0.000 0.805 741 A HN 0.773 nan 8.150 nan 0.000 0.449 742 S N 0.088 115.862 115.700 0.123 0.000 2.402 742 S HA 0.074 4.546 4.470 0.004 0.000 0.229 742 S C 2.046 176.703 174.600 0.096 0.000 1.021 742 S CA 1.125 59.383 58.200 0.098 0.000 0.974 742 S CB -0.585 62.669 63.200 0.090 0.000 0.800 742 S HN 0.836 nan 8.310 nan 0.000 0.484 743 A N 1.989 124.887 122.820 0.130 0.000 1.933 743 A HA 0.127 4.449 4.320 0.004 0.000 0.218 743 A C 2.282 179.850 177.584 -0.027 0.000 1.175 743 A CA 1.410 53.501 52.037 0.090 0.000 0.628 743 A CB -0.829 18.306 19.000 0.224 0.000 0.814 743 A HN 0.539 nan 8.150 nan 0.000 0.444 744 L N -0.576 120.626 121.223 -0.036 0.000 2.093 744 L HA -0.151 4.192 4.340 0.004 0.000 0.208 744 L C 2.020 178.901 176.870 0.018 0.000 1.085 744 L CA 1.240 56.042 54.840 -0.062 0.000 0.755 744 L CB -0.477 41.591 42.059 0.015 0.000 0.904 744 L HN 0.303 nan 8.230 nan 0.000 0.435 745 D N -0.168 120.258 120.400 0.043 0.000 2.117 745 D HA -0.165 4.477 4.640 0.004 0.000 0.197 745 D C 2.179 178.499 176.300 0.034 0.000 0.987 745 D CA 0.947 54.971 54.000 0.041 0.000 0.829 745 D CB -0.052 40.773 40.800 0.043 0.000 0.961 745 D HN 0.083 nan 8.370 nan 0.000 0.460 746 L N 1.206 122.452 121.223 0.039 0.000 2.046 746 L HA -0.121 4.221 4.340 0.004 0.000 0.208 746 L C 2.343 179.243 176.870 0.050 0.000 1.077 746 L CA 1.629 56.493 54.840 0.040 0.000 0.747 746 L CB -1.361 40.730 42.059 0.054 0.000 0.896 746 L HN 0.011 nan 8.230 nan 0.000 0.432 747 T N -0.789 113.794 114.554 0.048 0.000 2.720 747 T HA -0.247 4.106 4.350 0.004 0.000 0.268 747 T C 1.978 176.746 174.700 0.113 0.000 1.037 747 T CA 1.592 63.738 62.100 0.078 0.000 1.144 747 T CB -0.175 68.722 68.868 0.047 0.000 0.864 747 T HN 0.300 nan 8.240 nan 0.000 0.444 748 R N 0.778 121.332 120.500 0.090 0.000 2.120 748 R HA -0.088 4.254 4.340 0.004 0.000 0.234 748 R C 2.366 178.715 176.300 0.082 0.000 1.123 748 R CA 1.352 57.508 56.100 0.093 0.000 0.975 748 R CB -0.106 30.234 30.300 0.066 0.000 0.866 748 R HN 0.489 nan 8.270 nan 0.000 0.446 749 Q N 0.166 119.994 119.800 0.048 0.000 2.083 749 Q HA -0.096 4.247 4.340 0.004 0.000 0.198 749 Q C 2.246 178.275 176.000 0.049 0.000 0.969 749 Q CA 1.432 57.240 55.803 0.008 0.000 0.838 749 Q CB -0.005 28.705 28.738 -0.046 0.000 0.900 749 Q HN 0.374 nan 8.270 nan 0.000 0.436 750 L N -0.097 121.197 121.223 0.119 0.000 2.046 750 L HA -0.190 4.152 4.340 0.004 0.000 0.208 750 L C 2.337 179.374 176.870 0.279 0.000 1.077 750 L CA 0.759 55.754 54.840 0.258 0.000 0.747 750 L CB -0.510 41.759 42.059 0.351 0.000 0.896 750 L HN 0.096 nan 8.230 nan 0.000 0.432 751 V N -0.676 119.383 119.914 0.242 0.000 2.343 751 V HA -0.326 3.797 4.120 0.004 0.000 0.247 751 V C 2.559 178.656 176.094 0.005 0.000 1.051 751 V CA 1.949 64.376 62.300 0.212 0.000 1.036 751 V CB -0.847 31.064 31.823 0.146 0.000 0.654 751 V HN 0.553 nan 8.190 nan 0.000 0.451 752 H N -0.253 118.772 119.070 -0.076 0.000 2.387 752 H HA -0.091 4.468 4.556 0.004 0.000 0.299 752 H C 2.187 177.387 175.328 -0.215 0.000 1.090 752 H CA 2.072 58.037 56.048 -0.139 0.000 1.332 752 H CB 0.185 29.881 29.762 -0.110 0.000 1.386 752 H HN 0.392 nan 8.280 nan 0.000 0.516 753 I N -0.505 119.966 120.570 -0.165 0.000 2.270 753 I HA -0.190 3.982 4.170 0.004 0.000 0.239 753 I C 1.439 177.260 176.117 -0.493 0.000 1.080 753 I CA 0.657 61.696 61.300 -0.435 0.000 1.383 753 I CB -0.264 37.243 38.000 -0.821 0.000 1.097 753 I HN 0.034 nan 8.210 nan 0.000 0.420 754 F N 1.072 121.017 119.950 -0.009 0.000 2.773 754 F HA 0.261 4.791 4.527 0.004 0.000 0.304 754 F C 2.170 177.744 175.800 -0.377 0.000 1.129 754 F CA 0.179 58.171 58.000 -0.014 0.000 1.378 754 F CB -1.154 37.980 39.000 0.225 0.000 1.095 754 F HN -0.043 nan 8.300 nan 0.000 0.565 755 A N 0.373 122.840 122.820 -0.588 0.000 1.859 755 A HA -0.275 4.048 4.320 0.004 0.000 0.218 755 A C 1.597 178.701 177.584 -0.799 0.000 1.209 755 A CA 2.073 53.404 52.037 -1.178 0.000 0.639 755 A CB -1.248 17.174 19.000 -0.962 0.000 0.835 755 A HN 0.533 nan 8.150 nan 0.000 0.450 756 H N -0.455 118.430 119.070 -0.309 0.000 2.547 756 H HA 0.167 4.725 4.556 0.004 0.000 0.274 756 H C -0.153 175.134 175.328 -0.067 0.000 1.024 756 H CA 0.075 56.020 56.048 -0.171 0.000 1.155 756 H CB 0.236 29.916 29.762 -0.136 0.000 1.344 756 H HN 0.415 nan 8.280 nan 0.000 0.598 757 E N 2.130 122.371 120.200 0.069 0.000 2.490 757 E HA 0.044 4.396 4.350 0.004 0.000 0.232 757 E C -1.670 175.017 176.600 0.145 0.000 1.091 757 E CA -1.581 54.925 56.400 0.176 0.000 1.050 757 E CB 0.918 30.852 29.700 0.390 0.000 1.342 757 E HN 0.444 nan 8.360 nan 0.000 0.454 758 P HA -0.276 nan 4.420 nan 0.000 0.218 758 P C 1.275 178.578 177.300 0.006 0.000 1.154 758 P CA 1.346 64.495 63.100 0.081 0.000 0.872 758 P CB 0.274 32.001 31.700 0.046 0.000 0.790 759 A N -0.159 122.584 122.820 -0.128 0.000 2.042 759 A HA -0.209 4.113 4.320 0.004 0.000 0.222 759 A C 1.859 179.104 177.584 -0.565 0.000 1.167 759 A CA 1.768 53.573 52.037 -0.387 0.000 0.649 759 A CB -1.282 17.373 19.000 -0.574 0.000 0.809 759 A HN 0.401 nan 8.150 nan 0.000 0.457 760 H N -4.470 114.609 119.070 0.015 0.000 3.360 760 H HA 0.153 4.711 4.556 0.004 0.000 0.262 760 H C 1.293 176.604 175.328 -0.028 0.000 1.149 760 H CA 0.010 55.998 56.048 -0.099 0.000 1.181 760 H CB -0.107 29.461 29.762 -0.324 0.000 1.564 760 H HN 0.489 nan 8.280 nan 0.000 0.565 761 F N 3.342 123.307 119.950 0.024 0.000 2.234 761 F HA 0.068 4.598 4.527 0.004 0.000 0.299 761 F C -0.900 174.911 175.800 0.018 0.000 1.087 761 F CA -0.618 57.412 58.000 0.049 0.000 1.340 761 F CB -0.824 38.218 39.000 0.070 0.000 1.031 761 F HN 0.020 nan 8.300 nan 0.000 0.500 762 P HA -0.226 nan 4.420 nan 0.000 0.217 762 P C -1.325 175.851 177.300 -0.207 0.000 1.158 762 P CA 2.605 65.615 63.100 -0.152 0.000 0.887 762 P CB -1.156 30.508 31.700 -0.060 0.000 0.792 763 P HA -0.055 nan 4.420 nan 0.000 0.221 763 P C 1.388 178.597 177.300 -0.151 0.000 1.150 763 P CA 1.084 64.110 63.100 -0.125 0.000 0.800 763 P CB -0.395 31.252 31.700 -0.090 0.000 0.787 764 I N -0.690 119.741 120.570 -0.231 0.000 2.439 764 I HA -0.156 4.016 4.170 0.004 0.000 0.251 764 I C 2.386 178.293 176.117 -0.351 0.000 1.139 764 I CA 1.196 62.365 61.300 -0.217 0.000 1.438 764 I CB -0.471 37.470 38.000 -0.098 0.000 1.085 764 I HN -0.026 nan 8.210 nan 0.000 0.427 765 E N 1.136 120.938 120.200 -0.664 0.000 2.077 765 E HA -0.240 4.112 4.350 0.004 0.000 0.193 765 E C 2.355 178.897 176.600 -0.097 0.000 0.989 765 E CA 1.351 57.484 56.400 -0.445 0.000 0.800 765 E CB -0.022 29.408 29.700 -0.450 0.000 0.746 765 E HN 0.502 nan 8.360 nan 0.000 0.452 766 A N 1.106 123.856 122.820 -0.115 0.000 1.877 766 A HA -0.197 4.126 4.320 0.004 0.000 0.216 766 A C 2.139 179.710 177.584 -0.022 0.000 1.186 766 A CA 1.231 53.238 52.037 -0.049 0.000 0.620 766 A CB -0.662 18.304 19.000 -0.057 0.000 0.822 766 A HN 0.292 nan 8.150 nan 0.000 0.443 767 L N -1.387 119.822 121.223 -0.023 0.000 1.989 767 L HA -0.145 4.198 4.340 0.004 0.000 0.211 767 L C 2.258 179.138 176.870 0.017 0.000 1.071 767 L CA 2.565 57.402 54.840 -0.004 0.000 0.749 767 L CB -0.797 41.266 42.059 0.007 0.000 0.890 767 L HN 0.449 nan 8.230 nan 0.000 0.431 768 F N -0.255 119.644 119.950 -0.085 0.000 2.087 768 F HA -0.302 4.227 4.527 0.004 0.000 0.299 768 F C 2.027 177.798 175.800 -0.048 0.000 1.100 768 F CA 2.161 60.125 58.000 -0.059 0.000 1.226 768 F CB -0.460 38.509 39.000 -0.052 0.000 0.983 768 F HN 0.097 nan 8.300 nan 0.000 0.479 769 L N -0.668 120.478 121.223 -0.128 0.000 2.027 769 L HA -0.179 4.164 4.340 0.004 0.000 0.206 769 L C 2.449 179.212 176.870 -0.178 0.000 1.074 769 L CA 0.948 55.657 54.840 -0.217 0.000 0.745 769 L CB -0.903 41.131 42.059 -0.042 0.000 0.898 769 L HN 0.298 nan 8.230 nan 0.000 0.433 770 L N -0.158 121.006 121.223 -0.097 0.000 2.012 770 L HA -0.167 4.175 4.340 0.004 0.000 0.210 770 L C 2.372 179.209 176.870 -0.055 0.000 1.073 770 L CA 1.809 56.616 54.840 -0.054 0.000 0.748 770 L CB -0.517 41.530 42.059 -0.020 0.000 0.891 770 L HN -0.044 nan 8.230 nan 0.000 0.431 771 V N -0.826 119.016 119.914 -0.120 0.000 2.407 771 V HA -0.251 3.871 4.120 0.004 0.000 0.248 771 V C 2.395 178.422 176.094 -0.112 0.000 1.055 771 V CA 2.067 64.257 62.300 -0.183 0.000 1.049 771 V CB -1.296 30.300 31.823 -0.378 0.000 0.662 771 V HN 0.549 nan 8.190 nan 0.000 0.455 772 T N -0.437 114.011 114.554 -0.177 0.000 2.904 772 T HA -0.117 4.235 4.350 0.004 0.000 0.267 772 T C 2.126 176.769 174.700 -0.094 0.000 1.059 772 T CA 1.552 63.600 62.100 -0.086 0.000 1.137 772 T CB -0.164 68.528 68.868 -0.294 0.000 0.879 772 T HN 0.494 nan 8.240 nan 0.000 0.467 773 S N 0.907 116.555 115.700 -0.088 0.000 2.383 773 S HA -0.035 4.437 4.470 0.004 0.000 0.227 773 S C 2.293 176.873 174.600 -0.033 0.000 1.026 773 S CA 0.609 58.778 58.200 -0.051 0.000 0.981 773 S CB -0.316 62.862 63.200 -0.037 0.000 0.818 773 S HN 0.277 nan 8.310 nan 0.000 0.472 774 V N 2.314 122.229 119.914 0.003 0.000 2.323 774 V HA -0.141 3.982 4.120 0.004 0.000 0.244 774 V C 2.897 178.975 176.094 -0.027 0.000 1.041 774 V CA 1.995 64.308 62.300 0.021 0.000 1.025 774 V CB -1.490 30.405 31.823 0.119 0.000 0.656 774 V HN 0.730 nan 8.190 nan 0.000 0.451 775 T N -1.265 113.259 114.554 -0.051 0.000 2.833 775 T HA -0.160 4.192 4.350 0.004 0.000 0.269 775 T C 1.860 176.386 174.700 -0.290 0.000 1.054 775 T CA 1.469 63.420 62.100 -0.249 0.000 1.135 775 T CB -0.458 68.013 68.868 -0.662 0.000 0.869 775 T HN 0.358 nan 8.240 nan 0.000 0.466 776 L N 1.575 122.655 121.223 -0.239 0.000 2.109 776 L HA -0.028 4.315 4.340 0.004 0.000 0.207 776 L C 3.344 180.228 176.870 0.023 0.000 1.086 776 L CA 1.676 56.455 54.840 -0.101 0.000 0.760 776 L CB -0.958 41.066 42.059 -0.058 0.000 0.910 776 L HN 0.552 nan 8.230 nan 0.000 0.437 777 T N -1.762 112.790 114.554 -0.004 0.000 2.770 777 T HA -0.204 4.148 4.350 0.004 0.000 0.263 777 T C 1.864 176.576 174.700 0.020 0.000 1.039 777 T CA 1.039 63.147 62.100 0.012 0.000 1.142 777 T CB -0.539 68.324 68.868 -0.008 0.000 0.868 777 T HN 0.163 nan 8.240 nan 0.000 0.435 778 L N 0.118 121.340 121.223 -0.003 0.000 2.012 778 L HA 0.087 4.430 4.340 0.004 0.000 0.210 778 L C 2.269 179.191 176.870 0.087 0.000 1.073 778 L CA 1.785 56.627 54.840 0.004 0.000 0.748 778 L CB -0.997 41.020 42.059 -0.071 0.000 0.891 778 L HN 0.312 nan 8.230 nan 0.000 0.431 779 F N -0.179 119.749 119.950 -0.037 0.000 2.250 779 F HA -0.247 4.283 4.527 0.004 0.000 0.301 779 F C 2.324 178.148 175.800 0.041 0.000 1.077 779 F CA 1.512 59.522 58.000 0.016 0.000 1.348 779 F CB -0.173 38.803 39.000 -0.040 0.000 1.040 779 F HN 0.255 nan 8.300 nan 0.000 0.509 780 Q N 0.184 120.005 119.800 0.034 0.000 2.046 780 Q HA -0.197 4.145 4.340 0.004 0.000 0.200 780 Q C 2.250 178.186 176.000 -0.107 0.000 0.975 780 Q CA 1.719 57.500 55.803 -0.037 0.000 0.836 780 Q CB -0.840 27.920 28.738 0.037 0.000 0.896 780 Q HN 0.544 nan 8.270 nan 0.000 0.428 781 Q N -0.390 119.375 119.800 -0.058 0.000 2.046 781 Q HA -0.011 4.331 4.340 0.004 0.000 0.200 781 Q C 0.664 176.615 176.000 -0.081 0.000 0.975 781 Q CA 1.248 57.020 55.803 -0.052 0.000 0.836 781 Q CB 0.068 28.799 28.738 -0.012 0.000 0.896 781 Q HN 0.344 nan 8.270 nan 0.000 0.428 782 G N 0.418 109.173 108.800 -0.075 0.000 4.487 782 G HA2 0.264 4.227 3.960 0.004 0.000 0.339 782 G HA3 0.264 4.227 3.960 0.004 0.000 0.339 782 G C -2.361 172.402 174.900 -0.228 0.000 1.482 782 G CA -0.987 44.040 45.100 -0.122 0.000 1.069 782 G HN 0.057 nan 8.290 nan 0.000 0.515 783 P HA -0.136 nan 4.420 nan 0.000 0.218 783 P C 1.203 178.307 177.300 -0.326 0.000 1.146 783 P CA 1.069 63.807 63.100 -0.604 0.000 0.813 783 P CB 0.355 31.770 31.700 -0.474 0.000 0.778 784 R N -2.003 118.277 120.500 -0.367 0.000 2.566 784 R HA 0.128 4.470 4.340 0.004 0.000 0.388 784 R C 0.409 176.519 176.300 -0.316 0.000 0.989 784 R CA -0.117 55.686 56.100 -0.496 0.000 1.164 784 R CB 0.262 30.168 30.300 -0.657 0.000 1.459 784 R HN 0.014 nan 8.270 nan 0.000 0.553 785 D N 0.165 120.348 120.400 -0.362 0.000 2.317 785 D HA -0.021 4.621 4.640 0.004 0.000 0.211 785 D C -0.152 175.702 176.300 -0.744 0.000 0.966 785 D CA 1.194 54.851 54.000 -0.571 0.000 0.876 785 D CB 0.246 40.586 40.800 -0.767 0.000 0.927 785 D HN 0.388 nan 8.370 nan 0.000 0.519 786 H N -2.007 117.114 119.070 0.086 0.000 2.514 786 H HA 0.243 4.802 4.556 0.005 0.000 0.226 786 H C -1.995 173.456 175.328 0.205 0.000 1.421 786 H CA -1.271 54.847 56.048 0.116 0.000 1.394 786 H CB 1.185 30.999 29.762 0.087 0.000 1.701 786 H HN -0.107 nan 8.280 nan 0.000 0.515 787 P HA -0.201 nan 4.420 nan 0.000 0.217 787 P C 1.311 178.756 177.300 0.241 0.000 1.148 787 P CA 1.346 64.655 63.100 0.348 0.000 0.828 787 P CB 0.483 32.349 31.700 0.277 0.000 0.783 788 D N -0.810 119.710 120.400 0.201 0.000 2.117 788 D HA -0.124 4.519 4.640 0.004 0.000 0.197 788 D C 1.781 178.182 176.300 0.168 0.000 0.987 788 D CA 1.018 55.114 54.000 0.160 0.000 0.829 788 D CB -0.595 40.289 40.800 0.140 0.000 0.961 788 D HN 0.063 nan 8.370 nan 0.000 0.460 789 I N -0.447 120.245 120.570 0.203 0.000 2.252 789 I HA -0.195 3.978 4.170 0.004 0.000 0.245 789 I C 2.330 178.568 176.117 0.201 0.000 1.102 789 I CA 0.365 61.783 61.300 0.196 0.000 1.385 789 I CB -0.030 38.072 38.000 0.171 0.000 1.064 789 I HN -0.040 nan 8.210 nan 0.000 0.414 790 V N 0.753 120.791 119.914 0.207 0.000 2.407 790 V HA -0.320 3.802 4.120 0.004 0.000 0.248 790 V C 2.304 178.464 176.094 0.112 0.000 1.055 790 V CA 2.149 64.541 62.300 0.154 0.000 1.049 790 V CB -0.631 31.244 31.823 0.087 0.000 0.662 790 V HN 0.514 nan 8.190 nan 0.000 0.455 791 D N 0.105 120.564 120.400 0.099 0.000 2.084 791 D HA -0.147 4.496 4.640 0.004 0.000 0.194 791 D C 2.308 178.650 176.300 0.070 0.000 0.990 791 D CA 1.962 55.998 54.000 0.060 0.000 0.826 791 D CB 0.021 40.865 40.800 0.073 0.000 0.971 791 D HN 0.414 nan 8.370 nan 0.000 0.453 792 S N -0.197 115.568 115.700 0.109 0.000 2.382 792 S HA -0.085 4.387 4.470 0.004 0.000 0.228 792 S C 0.965 175.642 174.600 0.128 0.000 1.027 792 S CA 0.004 58.267 58.200 0.106 0.000 0.991 792 S CB -0.301 62.971 63.200 0.121 0.000 0.823 792 S HN 0.319 nan 8.310 nan 0.000 0.469 796 L N 1.882 123.109 121.223 0.008 0.000 1.994 796 L HA -0.042 4.301 4.340 0.004 0.000 0.208 796 L C 1.865 178.802 176.870 0.113 0.000 1.071 796 L CA 1.941 56.820 54.840 0.065 0.000 0.745 796 L CB -0.594 41.512 42.059 0.078 0.000 0.892 796 L HN 0.289 nan 8.230 nan 0.000 0.431 797 L N -0.335 120.907 121.223 0.031 0.000 2.079 797 L HA -0.182 4.160 4.340 0.004 0.000 0.210 797 L C 2.606 179.642 176.870 0.277 0.000 1.081 797 L CA 1.185 56.165 54.840 0.234 0.000 0.752 797 L CB -0.994 41.137 42.059 0.120 0.000 0.896 797 L HN 0.412 nan 8.230 nan 0.000 0.433 798 A N -0.681 122.231 122.820 0.154 0.000 2.066 798 A HA -0.204 4.119 4.320 0.004 0.000 0.218 798 A C 2.217 179.813 177.584 0.021 0.000 1.157 798 A CA 1.345 53.410 52.037 0.047 0.000 0.670 798 A CB -0.297 18.717 19.000 0.024 0.000 0.804 798 A HN 0.380 nan 8.150 nan 0.000 0.453 799 Q N 0.020 119.851 119.800 0.052 0.000 2.137 799 Q HA 0.108 4.451 4.340 0.004 0.000 0.198 799 Q C 2.012 178.015 176.000 0.005 0.000 0.960 799 Q CA 1.787 57.611 55.803 0.036 0.000 0.847 799 Q CB -0.601 28.173 28.738 0.061 0.000 0.915 799 Q HN 0.497 nan 8.270 nan 0.000 0.448 800 A N 0.504 123.348 122.820 0.041 0.000 1.865 800 A HA -0.170 4.153 4.320 0.004 0.000 0.217 800 A C 2.118 179.712 177.584 0.017 0.000 1.191 800 A CA 1.682 53.722 52.037 0.004 0.000 0.623 800 A CB -0.992 18.051 19.000 0.072 0.000 0.826 800 A HN 0.449 nan 8.150 nan 0.000 0.444 801 L N -0.859 120.366 121.223 0.004 0.000 2.083 801 L HA -0.213 4.129 4.340 0.004 0.000 0.209 801 L C 2.589 179.389 176.870 -0.118 0.000 1.083 801 L CA 1.924 56.667 54.840 -0.162 0.000 0.752 801 L CB -0.400 41.447 42.059 -0.352 0.000 0.899 801 L HN 0.473 nan 8.230 nan 0.000 0.433 802 K N -0.190 120.160 120.400 -0.083 0.000 2.001 802 K HA -0.123 4.200 4.320 0.004 0.000 0.208 802 K C 2.396 178.953 176.600 -0.073 0.000 1.048 802 K CA 1.199 57.447 56.287 -0.065 0.000 0.932 802 K CB 0.054 32.532 32.500 -0.036 0.000 0.715 802 K HN -0.029 nan 8.250 nan 0.000 0.437 803 R N 0.190 120.625 120.500 -0.108 0.000 2.090 803 R HA 0.115 4.457 4.340 0.004 0.000 0.219 803 R C 0.433 176.601 176.300 -0.220 0.000 1.100 803 R CA 0.883 56.875 56.100 -0.180 0.000 0.991 803 R CB 0.142 30.267 30.300 -0.292 0.000 0.893 803 R HN 0.072 nan 8.270 nan 0.000 0.443 804 K N 0.328 120.611 120.400 -0.196 0.000 2.895 804 K HA 0.231 4.553 4.320 0.004 0.000 0.191 804 K C -2.338 174.233 176.600 -0.048 0.000 1.117 804 K CA -1.386 54.800 56.287 -0.170 0.000 0.988 804 K CB 1.434 33.745 32.500 -0.316 0.000 1.181 804 K HN -0.229 nan 8.250 nan 0.000 0.598 805 P HA -0.239 nan 4.420 nan 0.000 0.216 805 P C 0.545 177.913 177.300 0.114 0.000 1.153 805 P CA 1.382 64.493 63.100 0.020 0.000 0.858 805 P CB 0.105 31.782 31.700 -0.037 0.000 0.789 806 D N -0.465 119.981 120.400 0.078 0.000 2.393 806 D HA -0.174 4.469 4.640 0.004 0.000 0.220 806 D C 1.652 178.032 176.300 0.134 0.000 0.974 806 D CA 0.752 54.812 54.000 0.100 0.000 0.931 806 D CB -0.712 40.130 40.800 0.070 0.000 0.889 806 D HN 0.261 nan 8.370 nan 0.000 0.512 807 L N -0.776 120.534 121.223 0.145 0.000 2.201 807 L HA -0.060 4.283 4.340 0.004 0.000 0.212 807 L C 2.065 179.024 176.870 0.149 0.000 1.105 807 L CA 0.695 55.595 54.840 0.099 0.000 0.775 807 L CB -0.330 41.677 42.059 -0.086 0.000 0.913 807 L HN -0.071 nan 8.230 nan 0.000 0.440 808 F N -0.945 119.053 119.950 0.080 0.000 2.748 808 F HA -0.077 4.453 4.527 0.004 0.000 0.299 808 F C 1.847 177.709 175.800 0.103 0.000 1.154 808 F CA 0.516 58.590 58.000 0.123 0.000 1.446 808 F CB 0.115 39.176 39.000 0.102 0.000 1.112 808 F HN -0.012 nan 8.300 nan 0.000 0.584 809 L N -0.591 120.760 121.223 0.213 0.000 2.612 809 L HA 0.083 4.426 4.340 0.004 0.000 0.230 809 L C 0.117 177.048 176.870 0.101 0.000 1.140 809 L CA -0.293 54.633 54.840 0.142 0.000 0.896 809 L CB -0.284 41.842 42.059 0.113 0.000 1.065 809 L HN 0.075 nan 8.230 nan 0.000 0.447 810 C N 1.003 120.360 119.300 0.094 0.000 2.499 810 C HA 0.039 4.501 4.460 0.004 0.000 0.386 810 C C 1.908 176.932 174.990 0.057 0.000 1.293 810 C CA -0.826 58.235 59.018 0.071 0.000 1.884 810 C CB 0.398 28.183 27.740 0.076 0.000 2.509 810 C HN 0.516 nan 8.230 nan 0.000 0.566 811 E N 2.676 122.905 120.200 0.048 0.000 2.427 811 E HA -0.149 4.204 4.350 0.004 0.000 0.196 811 E C 1.754 178.373 176.600 0.031 0.000 1.028 811 E CA 0.652 57.078 56.400 0.042 0.000 0.864 811 E CB -0.120 29.603 29.700 0.037 0.000 0.813 811 E HN 0.737 nan 8.360 nan 0.000 0.514 812 R N 0.704 121.220 120.500 0.026 0.000 2.276 812 R HA 0.070 4.413 4.340 0.004 0.000 0.203 812 R C 0.587 176.887 176.300 -0.001 0.000 1.017 812 R CA 0.033 56.141 56.100 0.013 0.000 1.010 812 R CB -0.002 30.305 30.300 0.012 0.000 0.900 812 R HN 0.171 nan 8.270 nan 0.000 0.469 813 L N 0.991 122.214 121.223 -0.001 0.000 2.272 813 L HA 0.250 4.593 4.340 0.004 0.000 0.289 813 L C -0.793 176.075 176.870 -0.005 0.000 1.032 813 L CA -0.361 54.458 54.840 -0.035 0.000 0.810 813 L CB 1.548 43.566 42.059 -0.069 0.000 1.205 813 L HN -0.164 nan 8.230 nan 0.000 0.422 814 D N 4.072 124.475 120.400 0.005 0.000 2.545 814 D HA 0.009 4.651 4.640 0.004 0.000 0.227 814 D C 1.261 177.610 176.300 0.083 0.000 1.150 814 D CA 0.163 54.190 54.000 0.045 0.000 1.046 814 D CB 0.561 41.389 40.800 0.047 0.000 1.098 814 D HN 0.525 nan 8.370 nan 0.000 0.502 815 V N 3.728 123.706 119.914 0.108 0.000 2.439 815 V HA -0.265 3.857 4.120 0.004 0.000 0.253 815 V C 2.505 178.741 176.094 0.236 0.000 1.074 815 V CA 1.433 63.853 62.300 0.199 0.000 1.076 815 V CB -0.239 31.724 31.823 0.233 0.000 0.664 815 V HN 0.459 nan 8.190 nan 0.000 0.461 816 K N -0.064 120.438 120.400 0.170 0.000 2.025 816 K HA -0.049 4.273 4.320 0.004 0.000 0.207 816 K C 2.350 179.079 176.600 0.215 0.000 1.049 816 K CA 1.492 57.885 56.287 0.177 0.000 0.933 816 K CB -0.716 31.855 32.500 0.118 0.000 0.714 816 K HN 0.477 nan 8.250 nan 0.000 0.438 817 A N 1.383 124.298 122.820 0.159 0.000 1.865 817 A HA -0.166 4.157 4.320 0.004 0.000 0.217 817 A C 2.527 180.188 177.584 0.129 0.000 1.191 817 A CA 2.067 54.185 52.037 0.136 0.000 0.623 817 A CB -0.943 18.115 19.000 0.097 0.000 0.826 817 A HN 0.057 nan 8.150 nan 0.000 0.444 818 V N -1.290 118.709 119.914 0.141 0.000 2.231 818 V HA -0.306 3.817 4.120 0.004 0.000 0.248 818 V C 2.314 178.443 176.094 0.058 0.000 1.054 818 V CA 2.425 64.779 62.300 0.090 0.000 1.015 818 V CB -1.038 30.871 31.823 0.143 0.000 0.638 818 V HN 0.611 nan 8.190 nan 0.000 0.444 819 F N 0.510 120.540 119.950 0.132 0.000 2.154 819 F HA -0.296 4.233 4.527 0.004 0.000 0.301 819 F C 2.603 178.505 175.800 0.170 0.000 1.087 819 F CA 2.347 60.485 58.000 0.231 0.000 1.274 819 F CB -0.164 39.023 39.000 0.311 0.000 1.009 819 F HN 0.176 nan 8.300 nan 0.000 0.485 820 Q N -0.438 119.546 119.800 0.307 0.000 2.046 820 Q HA -0.230 4.113 4.340 0.004 0.000 0.200 820 Q C 2.510 178.551 176.000 0.068 0.000 0.975 820 Q CA 2.201 58.137 55.803 0.221 0.000 0.836 820 Q CB -0.880 27.990 28.738 0.220 0.000 0.896 820 Q HN 0.561 nan 8.270 nan 0.000 0.428 821 C N 0.081 119.320 119.300 -0.102 0.000 2.413 821 C HA -0.049 4.414 4.460 0.004 0.000 0.276 821 C C 2.742 177.477 174.990 -0.425 0.000 1.248 821 C CA 1.200 59.921 59.018 -0.495 0.000 1.742 821 C CB -1.458 25.818 27.740 -0.773 0.000 2.017 821 C HN 0.686 nan 8.230 nan 0.000 0.481 822 A N 0.198 122.769 122.820 -0.415 0.000 1.892 822 A HA -0.127 4.195 4.320 0.004 0.000 0.218 822 A C 2.355 179.905 177.584 -0.057 0.000 1.188 822 A CA 2.640 54.375 52.037 -0.504 0.000 0.631 822 A CB -1.016 17.376 19.000 -1.014 0.000 0.822 822 A HN 0.526 nan 8.150 nan 0.000 0.447 823 V N -0.028 119.956 119.914 0.117 0.000 2.427 823 V HA -0.225 3.898 4.120 0.004 0.000 0.248 823 V C 2.519 178.710 176.094 0.162 0.000 1.051 823 V CA 1.802 64.206 62.300 0.174 0.000 1.048 823 V CB -0.747 31.124 31.823 0.080 0.000 0.666 823 V HN 0.546 nan 8.190 nan 0.000 0.456 824 L N 0.126 121.451 121.223 0.169 0.000 2.109 824 L HA -0.089 4.254 4.340 0.004 0.000 0.207 824 L C 2.771 179.814 176.870 0.288 0.000 1.086 824 L CA 1.322 56.338 54.840 0.293 0.000 0.760 824 L CB -0.818 41.522 42.059 0.468 0.000 0.910 824 L HN 0.353 nan 8.230 nan 0.000 0.437 825 A N 0.373 123.182 122.820 -0.018 0.000 1.948 825 A HA -0.214 4.108 4.320 0.004 0.000 0.220 825 A C 2.218 179.733 177.584 -0.115 0.000 1.177 825 A CA 1.499 53.232 52.037 -0.508 0.000 0.636 825 A CB -0.798 17.881 19.000 -0.534 0.000 0.815 825 A HN 0.397 nan 8.150 nan 0.000 0.449 826 L N -1.197 120.088 121.223 0.103 0.000 2.261 826 L HA -0.155 4.187 4.340 0.004 0.000 0.216 826 L C 1.826 178.891 176.870 0.325 0.000 1.114 826 L CA 1.031 56.021 54.840 0.251 0.000 0.777 826 L CB -0.216 42.039 42.059 0.326 0.000 0.910 826 L HN 0.183 nan 8.230 nan 0.000 0.440 827 K N -0.642 119.956 120.400 0.330 0.000 2.374 827 K HA 0.189 4.512 4.320 0.004 0.000 0.196 827 K C 0.345 177.174 176.600 0.381 0.000 1.023 827 K CA -0.113 56.359 56.287 0.310 0.000 1.103 827 K CB -0.050 32.598 32.500 0.246 0.000 0.848 827 K HN 0.096 nan 8.250 nan 0.000 0.528 828 F N 1.690 121.719 119.950 0.130 0.000 2.589 828 F HA -0.050 4.479 4.527 0.004 0.000 0.352 828 F C -0.813 175.039 175.800 0.085 0.000 1.168 828 F CA -1.482 56.581 58.000 0.104 0.000 1.353 828 F CB 0.452 39.521 39.000 0.115 0.000 1.116 828 F HN -0.059 nan 8.300 nan 0.000 0.608 829 P HA -0.098 nan 4.420 nan 0.000 0.217 829 P C -0.631 176.748 177.300 0.131 0.000 1.154 829 P CA 1.053 64.213 63.100 0.100 0.000 0.841 829 P CB 0.142 31.853 31.700 0.019 0.000 0.788 830 E N -0.021 120.281 120.200 0.171 0.000 2.161 830 E HA 0.185 4.538 4.350 0.004 0.000 0.263 830 E C 1.277 177.971 176.600 0.157 0.000 1.185 830 E CA 0.106 56.599 56.400 0.156 0.000 0.938 830 E CB -0.274 29.532 29.700 0.178 0.000 1.023 830 E HN 0.066 nan 8.360 nan 0.000 0.433 831 A N 7.529 130.420 122.820 0.119 0.000 1.927 831 A HA -0.180 4.143 4.320 0.004 0.000 0.220 831 A C -0.241 177.396 177.584 0.087 0.000 1.185 831 A CA 1.411 53.514 52.037 0.110 0.000 0.639 831 A CB -1.289 17.763 19.000 0.088 0.000 0.820 831 A HN 0.565 nan 8.150 nan 0.000 0.451 832 P HA -0.127 nan 4.420 nan 0.000 0.218 832 P C 1.315 178.645 177.300 0.051 0.000 1.148 832 P CA 1.792 64.926 63.100 0.057 0.000 0.822 832 P CB -0.379 31.357 31.700 0.060 0.000 0.784 833 T N 0.023 114.623 114.554 0.077 0.000 2.812 833 T HA -0.040 4.313 4.350 0.004 0.000 0.264 833 T C 1.996 176.689 174.700 -0.013 0.000 1.042 833 T CA 0.970 63.093 62.100 0.040 0.000 1.140 833 T CB -0.786 68.138 68.868 0.093 0.000 0.870 833 T HN -0.108 nan 8.240 nan 0.000 0.445 834 V N 1.389 121.330 119.914 0.044 0.000 2.407 834 V HA -0.152 3.971 4.120 0.004 0.000 0.248 834 V C 2.415 178.479 176.094 -0.049 0.000 1.055 834 V CA 1.536 63.855 62.300 0.032 0.000 1.049 834 V CB -0.446 31.466 31.823 0.148 0.000 0.662 834 V HN 0.446 nan 8.190 nan 0.000 0.455 835 K N 0.146 120.529 120.400 -0.029 0.000 2.057 835 K HA -0.106 4.216 4.320 0.004 0.000 0.207 835 K C 2.301 178.868 176.600 -0.055 0.000 1.049 835 K CA 1.423 57.677 56.287 -0.055 0.000 0.931 835 K CB -0.387 32.104 32.500 -0.016 0.000 0.714 835 K HN 0.477 nan 8.250 nan 0.000 0.440 836 A N 0.709 123.505 122.820 -0.041 0.000 1.902 836 A HA -0.187 4.136 4.320 0.004 0.000 0.217 836 A C 2.178 179.718 177.584 -0.074 0.000 1.181 836 A CA 2.029 54.040 52.037 -0.044 0.000 0.623 836 A CB -0.700 18.279 19.000 -0.036 0.000 0.818 836 A HN 0.295 nan 8.150 nan 0.000 0.443 837 S N -0.819 114.818 115.700 -0.105 0.000 2.356 837 S HA -0.206 4.267 4.470 0.004 0.000 0.223 837 S C 1.982 176.559 174.600 -0.038 0.000 1.032 837 S CA 1.718 59.833 58.200 -0.143 0.000 1.005 837 S CB -0.905 62.232 63.200 -0.105 0.000 0.867 837 S HN 0.655 nan 8.310 nan 0.000 0.449 838 C N 1.389 120.672 119.300 -0.028 0.000 2.411 838 C HA 0.053 4.516 4.460 0.004 0.000 0.279 838 C C 2.818 177.829 174.990 0.036 0.000 1.288 838 C CA 0.384 59.408 59.018 0.010 0.000 1.764 838 C CB -1.987 25.634 27.740 -0.199 0.000 1.974 838 C HN 0.780 nan 8.230 nan 0.000 0.498 839 G N -0.148 108.647 108.800 -0.008 0.000 2.418 839 G HA2 -0.253 3.709 3.960 0.004 0.000 0.217 839 G HA3 -0.253 3.709 3.960 0.004 0.000 0.217 839 G C 1.364 176.261 174.900 -0.006 0.000 1.158 839 G CA 0.841 45.938 45.100 -0.006 0.000 0.771 839 G HN 0.504 nan 8.290 nan 0.000 0.545 840 F N 1.065 120.886 119.950 -0.215 0.000 2.069 840 F HA -0.036 4.493 4.527 0.004 0.000 0.298 840 F C 2.260 177.896 175.800 -0.274 0.000 1.113 840 F CA 1.447 59.259 58.000 -0.313 0.000 1.214 840 F CB -0.330 38.349 39.000 -0.535 0.000 0.978 840 F HN 0.098 nan 8.300 nan 0.000 0.474 841 F N 0.599 120.538 119.950 -0.019 0.000 2.269 841 F HA -0.143 4.387 4.527 0.004 0.000 0.301 841 F C 2.538 178.253 175.800 -0.142 0.000 1.082 841 F CA 1.654 59.573 58.000 -0.136 0.000 1.360 841 F CB -1.606 37.404 39.000 0.015 0.000 1.041 841 F HN -0.060 nan 8.300 nan 0.000 0.512 842 T N -1.076 113.509 114.554 0.052 0.000 3.055 842 T HA -0.061 4.292 4.350 0.004 0.000 0.265 842 T C 1.591 176.276 174.700 -0.026 0.000 1.111 842 T CA 0.928 63.048 62.100 0.033 0.000 1.118 842 T CB -0.033 68.858 68.868 0.037 0.000 0.909 842 T HN 0.134 nan 8.240 nan 0.000 0.501 843 E N 0.107 120.224 120.200 -0.138 0.000 2.460 843 E HA 0.238 4.590 4.350 0.004 0.000 0.200 843 E C 1.645 178.076 176.600 -0.281 0.000 1.011 843 E CA -0.010 56.286 56.400 -0.173 0.000 0.912 843 E CB 0.163 29.752 29.700 -0.184 0.000 0.953 843 E HN 0.330 nan 8.360 nan 0.000 0.494 844 L N 0.375 121.372 121.223 -0.376 0.000 2.121 844 L HA 0.065 4.408 4.340 0.004 0.000 0.200 844 L C 2.098 178.893 176.870 -0.125 0.000 1.077 844 L CA 1.066 55.663 54.840 -0.405 0.000 0.766 844 L CB -0.395 41.334 42.059 -0.550 0.000 0.931 844 L HN 0.001 nan 8.230 nan 0.000 0.452 845 L N -0.030 121.200 121.223 0.012 0.000 2.189 845 L HA -0.163 4.180 4.340 0.004 0.000 0.214 845 L C -0.597 176.395 176.870 0.203 0.000 1.097 845 L CA 1.021 55.932 54.840 0.119 0.000 0.764 845 L CB -1.819 40.320 42.059 0.134 0.000 0.900 845 L HN 0.312 nan 8.230 nan 0.000 0.436 846 P HA -0.042 nan 4.420 nan 0.000 0.245 846 P C 1.148 178.409 177.300 -0.065 0.000 1.206 846 P CA 0.633 63.832 63.100 0.165 0.000 0.781 846 P CB 0.142 31.943 31.700 0.169 0.000 0.994 847 R N -1.214 119.247 120.500 -0.064 0.000 2.359 847 R HA 0.158 4.501 4.340 0.004 0.000 0.231 847 R C -0.360 175.897 176.300 -0.071 0.000 0.913 847 R CA -0.144 55.896 56.100 -0.100 0.000 1.075 847 R CB -1.253 28.948 30.300 -0.166 0.000 1.087 847 R HN 0.101 nan 8.270 nan 0.000 0.515 848 C N 0.238 119.515 119.300 -0.039 0.000 2.593 848 C HA 0.491 4.953 4.460 0.004 0.000 0.409 848 C C 1.492 176.459 174.990 -0.038 0.000 1.304 848 C CA -0.005 59.003 59.018 -0.016 0.000 2.007 848 C CB 0.315 28.069 27.740 0.023 0.000 2.614 848 C HN 0.805 nan 8.230 nan 0.000 0.585 849 G N 2.885 111.668 108.800 -0.028 0.000 2.305 849 G HA2 -0.241 3.722 3.960 0.004 0.000 0.287 849 G HA3 -0.241 3.722 3.960 0.004 0.000 0.287 849 G C -0.056 174.813 174.900 -0.052 0.000 1.036 849 G CA 0.900 45.979 45.100 -0.035 0.000 0.887 849 G HN 0.911 nan 8.290 nan 0.000 0.505 850 E N -1.288 118.881 120.200 -0.051 0.000 4.044 850 E HA 0.559 4.912 4.350 0.004 0.000 0.216 850 E C 1.298 177.876 176.600 -0.037 0.000 1.104 850 E CA 0.529 56.894 56.400 -0.059 0.000 1.383 850 E CB -0.047 29.604 29.700 -0.082 0.000 1.195 850 E HN 1.782 nan 8.360 nan 0.000 0.442 851 V N -0.615 119.284 119.914 -0.024 0.000 3.191 851 V HA -0.305 3.817 4.120 0.004 0.000 0.181 851 V C 0.210 176.308 176.094 0.006 0.000 0.444 851 V CA 2.202 64.497 62.300 -0.008 0.000 1.114 851 V CB -2.562 29.256 31.823 -0.008 0.000 1.275 851 V HN 0.491 nan 8.190 nan 0.000 1.153 852 E N -0.185 120.017 120.200 0.002 0.000 2.346 852 E HA 0.882 5.234 4.350 0.004 0.000 0.239 852 E C 0.976 177.593 176.600 0.029 0.000 0.943 852 E CA 0.940 57.353 56.400 0.022 0.000 0.751 852 E CB 0.525 30.223 29.700 -0.003 0.000 1.241 852 E HN 2.290 nan 8.360 nan 0.000 0.423 853 S N 0.646 116.370 115.700 0.041 0.000 2.356 853 S HA -0.077 4.395 4.470 0.004 0.000 0.223 853 S C 2.266 176.898 174.600 0.054 0.000 1.032 853 S CA 1.774 59.997 58.200 0.039 0.000 1.005 853 S CB -0.408 62.816 63.200 0.039 0.000 0.867 853 S HN 0.710 nan 8.310 nan 0.000 0.449 854 V N 1.854 121.818 119.914 0.084 0.000 2.568 854 V HA -0.129 3.994 4.120 0.004 0.000 0.253 854 V C 2.632 178.792 176.094 0.110 0.000 1.072 854 V CA 1.457 63.825 62.300 0.114 0.000 1.084 854 V CB -1.466 30.463 31.823 0.178 0.000 0.676 854 V HN 0.630 nan 8.190 nan 0.000 0.469 855 G N 0.312 109.159 108.800 0.079 0.000 2.524 855 G HA2 -0.308 3.655 3.960 0.004 0.000 0.215 855 G HA3 -0.308 3.655 3.960 0.004 0.000 0.215 855 G C 1.520 176.441 174.900 0.036 0.000 1.239 855 G CA 1.007 46.133 45.100 0.043 0.000 0.798 855 G HN 0.467 nan 8.290 nan 0.000 0.557 856 K N 0.341 120.756 120.400 0.025 0.000 2.362 856 K HA 0.085 4.408 4.320 0.004 0.000 0.200 856 K C 2.249 178.858 176.600 0.015 0.000 1.046 856 K CA 0.825 57.125 56.287 0.022 0.000 0.952 856 K CB -0.633 31.875 32.500 0.013 0.000 0.753 856 K HN 0.154 nan 8.250 nan 0.000 0.466 857 V N 0.286 120.212 119.914 0.019 0.000 2.295 857 V HA -0.195 3.927 4.120 0.004 0.000 0.246 857 V C 1.788 177.868 176.094 -0.023 0.000 1.049 857 V CA 1.973 64.281 62.300 0.013 0.000 1.024 857 V CB -0.171 31.671 31.823 0.031 0.000 0.648 857 V HN 0.316 nan 8.190 nan 0.000 0.447 858 V N -1.341 118.538 119.914 -0.059 0.000 3.330 858 V HA -0.097 4.026 4.120 0.004 0.000 0.273 858 V C 1.607 177.492 176.094 -0.348 0.000 1.179 858 V CA 1.040 63.198 62.300 -0.237 0.000 1.174 858 V CB -1.192 30.439 31.823 -0.321 0.000 0.794 858 V HN 0.527 nan 8.190 nan 0.000 0.527 859 Q N 1.400 121.135 119.800 -0.108 0.000 2.297 859 Q HA 0.142 4.485 4.340 0.004 0.000 0.265 859 Q C 1.553 177.633 176.000 0.133 0.000 0.904 859 Q CA 0.341 56.160 55.803 0.027 0.000 0.969 859 Q CB -0.166 28.646 28.738 0.122 0.000 1.115 859 Q HN 0.931 nan 8.270 nan 0.000 0.433 860 E N -1.950 118.262 120.200 0.020 0.000 2.431 860 E HA 0.026 4.379 4.350 0.004 0.000 0.200 860 E C 0.059 176.669 176.600 0.017 0.000 0.995 860 E CA 0.283 56.725 56.400 0.070 0.000 0.915 860 E CB 0.411 30.125 29.700 0.023 0.000 0.930 860 E HN 0.107 nan 8.360 nan 0.000 0.496 861 D N 0.905 121.241 120.400 -0.107 0.000 2.440 861 D HA 0.097 4.740 4.640 0.004 0.000 0.216 861 D C 1.512 177.754 176.300 -0.097 0.000 1.150 861 D CA 0.260 54.185 54.000 -0.126 0.000 0.832 861 D CB 0.891 41.593 40.800 -0.163 0.000 0.992 861 D HN 0.300 nan 8.370 nan 0.000 0.502 862 G N 0.846 109.613 108.800 -0.055 0.000 2.450 862 G HA2 -0.227 3.735 3.960 0.004 0.000 0.220 862 G HA3 -0.227 3.735 3.960 0.004 0.000 0.220 862 G C 1.197 175.830 174.900 -0.445 0.000 1.130 862 G CA 0.253 45.387 45.100 0.057 0.000 0.760 862 G HN 0.162 nan 8.290 nan 0.000 0.557 866 L N 0.976 122.143 121.223 -0.094 0.000 2.083 866 L HA -0.045 4.297 4.340 0.004 0.000 0.209 866 L C 2.214 179.116 176.870 0.054 0.000 1.083 866 L CA 2.387 57.221 54.840 -0.009 0.000 0.752 866 L CB -0.460 41.584 42.059 -0.025 0.000 0.899 866 L HN 0.416 nan 8.230 nan 0.000 0.433 867 I N -0.688 119.890 120.570 0.014 0.000 2.142 867 I HA -0.310 3.862 4.170 0.004 0.000 0.240 867 I C 2.581 178.799 176.117 0.168 0.000 1.078 867 I CA 1.254 62.628 61.300 0.125 0.000 1.343 867 I CB -0.610 37.411 38.000 0.036 0.000 1.046 867 I HN 0.356 nan 8.210 nan 0.000 0.405 868 A N 0.272 123.147 122.820 0.091 0.000 1.940 868 A HA -0.171 4.152 4.320 0.004 0.000 0.219 868 A C 2.388 180.021 177.584 0.082 0.000 1.176 868 A CA 1.845 53.938 52.037 0.094 0.000 0.631 868 A CB -0.952 18.102 19.000 0.091 0.000 0.814 868 A HN 0.282 nan 8.150 nan 0.000 0.446 869 V N -0.226 119.754 119.914 0.110 0.000 2.427 869 V HA -0.203 3.919 4.120 0.004 0.000 0.248 869 V C 2.448 178.555 176.094 0.021 0.000 1.051 869 V CA 1.814 64.198 62.300 0.140 0.000 1.048 869 V CB -0.639 31.318 31.823 0.223 0.000 0.666 869 V HN 0.565 nan 8.190 nan 0.000 0.456 870 L N -0.521 120.762 121.223 0.100 0.000 2.291 870 L HA -0.083 4.260 4.340 0.004 0.000 0.214 870 L C 2.433 179.224 176.870 -0.132 0.000 1.120 870 L CA 1.150 56.044 54.840 0.089 0.000 0.799 870 L CB -0.438 41.815 42.059 0.325 0.000 0.925 870 L HN 0.380 nan 8.230 nan 0.000 0.446 871 E N 0.132 120.257 120.200 -0.125 0.000 2.112 871 E HA -0.119 4.234 4.350 0.004 0.000 0.190 871 E C 2.322 178.768 176.600 -0.257 0.000 0.979 871 E CA 0.901 57.161 56.400 -0.233 0.000 0.814 871 E CB -0.014 29.637 29.700 -0.081 0.000 0.762 871 E HN 0.488 nan 8.360 nan 0.000 0.460 872 A N 1.513 124.141 122.820 -0.321 0.000 1.855 872 A HA -0.142 4.181 4.320 0.004 0.000 0.215 872 A C 2.156 179.478 177.584 -0.435 0.000 1.191 872 A CA 0.965 52.693 52.037 -0.516 0.000 0.613 872 A CB -0.630 17.639 19.000 -1.218 0.000 0.829 872 A HN 0.121 nan 8.150 nan 0.000 0.442 873 I N 0.156 120.506 120.570 -0.366 0.000 2.530 873 I HA -0.199 3.973 4.170 0.004 0.000 0.257 873 I C 2.434 178.404 176.117 -0.244 0.000 1.179 873 I CA 0.936 62.111 61.300 -0.209 0.000 1.440 873 I CB -0.466 37.514 38.000 -0.032 0.000 1.087 873 I HN 0.405 nan 8.210 nan 0.000 0.440 874 G N 0.154 108.784 108.800 -0.283 0.000 2.534 874 G HA2 0.114 4.077 3.960 0.004 0.000 0.217 874 G HA3 0.114 4.077 3.960 0.004 0.000 0.217 874 G C 1.245 175.968 174.900 -0.294 0.000 1.128 874 G CA 0.732 45.627 45.100 -0.341 0.000 0.784 874 G HN 0.573 nan 8.290 nan 0.000 0.542 875 G N -0.977 107.674 108.800 -0.247 0.000 2.148 875 G HA2 -0.173 3.790 3.960 0.004 0.000 0.120 875 G HA3 -0.173 3.790 3.960 0.004 0.000 0.120 875 G C 0.573 175.377 174.900 -0.159 0.000 1.034 875 G CA 0.521 45.504 45.100 -0.195 0.000 0.710 875 G HN 0.463 nan 8.290 nan 0.000 0.495 876 Q N -0.387 119.310 119.800 -0.171 0.000 2.396 876 Q HA 0.652 4.995 4.340 0.004 0.000 0.209 876 Q C 1.244 177.187 176.000 -0.095 0.000 0.906 876 Q CA 1.043 56.772 55.803 -0.123 0.000 0.927 876 Q CB 0.268 28.934 28.738 -0.121 0.000 1.069 876 Q HN 0.857 nan 8.270 nan 0.000 0.523 877 A N -0.145 122.593 122.820 -0.136 0.000 2.330 877 A HA 0.747 5.070 4.320 0.004 0.000 0.329 877 A C -0.330 177.231 177.584 -0.039 0.000 1.135 877 A CA -0.096 51.898 52.037 -0.071 0.000 0.817 877 A CB 0.995 19.900 19.000 -0.159 0.000 1.269 877 A HN 0.359 nan 8.150 nan 0.000 0.469 878 S N -0.222 115.495 115.700 0.028 0.000 2.562 878 S HA 0.297 4.769 4.470 0.004 0.000 0.281 878 S C 1.113 175.731 174.600 0.030 0.000 1.333 878 S CA -0.130 58.084 58.200 0.024 0.000 1.052 878 S CB 0.020 63.248 63.200 0.046 0.000 0.884 878 S HN 0.668 nan 8.310 nan 0.000 0.506 879 R N 1.265 121.768 120.500 0.004 0.000 2.170 879 R HA -0.121 4.222 4.340 0.004 0.000 0.242 879 R C 2.470 178.796 176.300 0.044 0.000 1.145 879 R CA 1.622 57.727 56.100 0.009 0.000 0.984 879 R CB -0.470 29.823 30.300 -0.013 0.000 0.869 879 R HN 0.850 nan 8.270 nan 0.000 0.455 880 S N 0.660 116.390 115.700 0.049 0.000 2.400 880 S HA -0.090 4.383 4.470 0.004 0.000 0.232 880 S C 1.233 175.888 174.600 0.091 0.000 1.025 880 S CA 0.696 58.931 58.200 0.058 0.000 0.993 880 S CB -0.285 62.945 63.200 0.050 0.000 0.808 880 S HN 0.128 nan 8.310 nan 0.000 0.478 884 C N 0.159 119.488 119.300 0.048 0.000 2.504 884 C HA 0.186 4.648 4.460 0.004 0.000 0.279 884 C C 2.040 176.949 174.990 -0.134 0.000 1.358 884 C CA 0.170 59.137 59.018 -0.084 0.000 1.747 884 C CB -1.020 26.597 27.740 -0.205 0.000 2.037 884 C HN 0.249 nan 8.230 nan 0.000 0.503 885 F N 1.636 121.636 119.950 0.083 0.000 2.367 885 F HA 0.087 4.617 4.527 0.005 0.000 0.298 885 F C 2.487 178.351 175.800 0.108 0.000 1.094 885 F CA 1.016 59.072 58.000 0.093 0.000 1.409 885 F CB -0.504 38.548 39.000 0.087 0.000 1.064 885 F HN 0.136 nan 8.300 nan 0.000 0.528 886 A N -0.111 122.863 122.820 0.256 0.000 1.969 886 A HA -0.164 4.158 4.320 0.004 0.000 0.218 886 A C 1.739 179.429 177.584 0.176 0.000 1.169 886 A CA 1.873 54.035 52.037 0.209 0.000 0.635 886 A CB -0.681 18.417 19.000 0.163 0.000 0.810 886 A HN 0.217 nan 8.150 nan 0.000 0.445 887 D N -0.086 120.385 120.400 0.119 0.000 2.219 887 D HA -0.071 4.572 4.640 0.004 0.000 0.205 887 D C 1.707 178.096 176.300 0.148 0.000 0.970 887 D CA 0.878 54.941 54.000 0.104 0.000 0.851 887 D CB -0.180 40.640 40.800 0.033 0.000 0.943 887 D HN 0.550 nan 8.370 nan 0.000 0.488 888 I N -0.120 120.526 120.570 0.127 0.000 2.333 888 I HA -0.153 4.020 4.170 0.004 0.000 0.246 888 I C 2.187 178.377 176.117 0.122 0.000 1.106 888 I CA 0.457 61.826 61.300 0.115 0.000 1.411 888 I CB -0.078 37.976 38.000 0.090 0.000 1.082 888 I HN -0.002 nan 8.210 nan 0.000 0.420 889 L N 0.013 121.331 121.223 0.159 0.000 2.017 889 L HA -0.248 4.095 4.340 0.004 0.000 0.208 889 L C 2.641 179.579 176.870 0.114 0.000 1.073 889 L CA 1.567 56.490 54.840 0.138 0.000 0.745 889 L CB -0.625 41.535 42.059 0.169 0.000 0.894 889 L HN 0.202 nan 8.230 nan 0.000 0.432 890 F N 0.889 120.846 119.950 0.010 0.000 2.126 890 F HA -0.251 4.279 4.527 0.004 0.000 0.299 890 F C 2.373 178.120 175.800 -0.089 0.000 1.096 890 F CA 1.376 59.360 58.000 -0.025 0.000 1.255 890 F CB -0.192 38.794 39.000 -0.023 0.000 0.997 890 F HN 0.001 nan 8.300 nan 0.000 0.479 891 A N 0.017 122.830 122.820 -0.010 0.000 2.066 891 A HA -0.026 4.297 4.320 0.004 0.000 0.218 891 A C 2.221 179.684 177.584 -0.203 0.000 1.157 891 A CA 1.300 53.212 52.037 -0.209 0.000 0.670 891 A CB -0.869 18.115 19.000 -0.027 0.000 0.804 891 A HN 0.514 nan 8.150 nan 0.000 0.453 892 L N -0.449 120.729 121.223 -0.076 0.000 2.162 892 L HA -0.076 4.267 4.340 0.004 0.000 0.205 892 L C 2.508 179.355 176.870 -0.039 0.000 1.086 892 L CA 1.138 55.970 54.840 -0.013 0.000 0.778 892 L CB -0.433 41.655 42.059 0.049 0.000 0.928 892 L HN 0.537 nan 8.230 nan 0.000 0.446 893 N N 1.161 119.812 118.700 -0.081 0.000 2.331 893 N HA -0.175 4.568 4.740 0.004 0.000 0.180 893 N C 1.684 177.183 175.510 -0.019 0.000 1.019 893 N CA 1.690 54.752 53.050 0.020 0.000 0.881 893 N CB 0.334 38.815 38.487 -0.010 0.000 0.972 893 N HN 0.255 nan 8.380 nan 0.000 0.435 894 K N -0.184 120.034 120.400 -0.302 0.000 2.334 894 K HA 0.068 4.390 4.320 0.004 0.000 0.195 894 K C 1.456 178.094 176.600 0.063 0.000 1.045 894 K CA 0.729 56.849 56.287 -0.279 0.000 1.004 894 K CB -0.621 31.493 32.500 -0.643 0.000 0.837 894 K HN 0.594 nan 8.250 nan 0.000 0.510 895 H N -1.791 117.235 119.070 -0.073 0.000 2.788 895 H HA 0.162 4.721 4.556 0.005 0.000 0.262 895 H C 0.361 175.688 175.328 -0.002 0.000 0.968 895 H CA 0.347 56.375 56.048 -0.033 0.000 1.218 895 H CB 0.910 30.655 29.762 -0.029 0.000 1.443 895 H HN 0.502 nan 8.280 nan 0.000 0.478 896 C N 0.274 119.648 119.300 0.124 0.000 3.359 896 C HA 0.266 4.729 4.460 0.004 0.000 0.194 896 C C 1.282 176.286 174.990 0.024 0.000 1.659 896 C CA -1.096 57.959 59.018 0.062 0.000 1.338 896 C CB -2.085 25.684 27.740 0.049 0.000 2.109 896 C HN 0.393 nan 8.230 nan 0.000 0.518 897 F N 3.541 123.446 119.950 -0.075 0.000 2.095 897 F HA -0.183 4.346 4.527 0.004 0.000 0.298 897 F C 2.554 178.280 175.800 -0.124 0.000 1.104 897 F CA 2.639 60.582 58.000 -0.096 0.000 1.232 897 F CB 0.019 38.965 39.000 -0.090 0.000 0.987 897 F HN 0.465 nan 8.300 nan 0.000 0.475 898 S N 0.872 116.560 115.700 -0.020 0.000 2.359 898 S HA -0.271 4.201 4.470 0.004 0.000 0.223 898 S C 2.142 176.528 174.600 -0.356 0.000 1.039 898 S CA 1.748 59.861 58.200 -0.146 0.000 1.042 898 S CB -1.309 61.845 63.200 -0.076 0.000 0.915 898 S HN 0.488 nan 8.310 nan 0.000 0.439 899 L N 0.873 121.852 121.223 -0.406 0.000 1.955 899 L HA -0.099 4.244 4.340 0.004 0.000 0.213 899 L C 2.752 179.120 176.870 -0.837 0.000 1.072 899 L CA 1.688 56.066 54.840 -0.770 0.000 0.755 899 L CB -0.826 40.817 42.059 -0.692 0.000 0.888 899 L HN 0.337 nan 8.230 nan 0.000 0.432 900 L N -0.173 120.776 121.223 -0.458 0.000 2.064 900 L HA -0.218 4.124 4.340 0.004 0.000 0.216 900 L C 1.897 178.627 176.870 -0.233 0.000 1.077 900 L CA 1.400 56.123 54.840 -0.194 0.000 0.766 900 L CB -0.380 41.574 42.059 -0.176 0.000 0.890 900 L HN 0.177 nan 8.230 nan 0.000 0.435 904 I N 2.544 123.246 120.570 0.219 0.000 2.286 904 I HA -0.266 3.906 4.170 0.004 0.000 0.248 904 I C 2.545 178.704 176.117 0.069 0.000 1.115 904 I CA 2.659 64.025 61.300 0.109 0.000 1.392 904 I CB -0.319 37.708 38.000 0.045 0.000 1.065 904 I HN 0.052 nan 8.210 nan 0.000 0.418 905 K N 0.251 120.676 120.400 0.042 0.000 2.097 905 K HA -0.219 4.104 4.320 0.004 0.000 0.206 905 K C 1.831 178.452 176.600 0.035 0.000 1.049 905 K CA 2.027 58.330 56.287 0.027 0.000 0.933 905 K CB -0.982 31.520 32.500 0.004 0.000 0.717 905 K HN 0.616 nan 8.250 nan 0.000 0.442 906 E N -0.376 119.852 120.200 0.047 0.000 2.051 906 E HA 0.090 4.443 4.350 0.004 0.000 0.189 906 E C 2.536 179.112 176.600 -0.040 0.000 0.979 906 E CA 0.751 57.164 56.400 0.021 0.000 0.803 906 E CB -0.156 29.578 29.700 0.056 0.000 0.761 906 E HN 0.545 nan 8.360 nan 0.000 0.451 907 A N 1.123 123.912 122.820 -0.052 0.000 1.978 907 A HA -0.156 4.167 4.320 0.004 0.000 0.220 907 A C 2.036 179.498 177.584 -0.204 0.000 1.170 907 A CA 1.154 53.078 52.037 -0.190 0.000 0.636 907 A CB -0.512 18.431 19.000 -0.095 0.000 0.810 907 A HN 0.162 nan 8.150 nan 0.000 0.448 908 L N -1.356 119.877 121.223 0.017 0.000 2.592 908 L HA 0.012 4.355 4.340 0.004 0.000 0.227 908 L C 3.072 179.994 176.870 0.087 0.000 1.127 908 L CA 0.576 55.499 54.840 0.138 0.000 0.884 908 L CB -0.746 41.426 42.059 0.189 0.000 1.065 908 L HN 0.610 nan 8.230 nan 0.000 0.457 909 Q N 1.393 121.202 119.800 0.016 0.000 2.030 909 Q HA -0.085 4.258 4.340 0.004 0.000 0.204 909 Q C -0.996 175.022 176.000 0.029 0.000 0.986 909 Q CA 1.012 56.827 55.803 0.020 0.000 0.843 909 Q CB -2.637 26.099 28.738 -0.004 0.000 0.904 909 Q HN 0.364 nan 8.270 nan 0.000 0.420 910 P HA 0.140 nan 4.420 nan 0.000 0.264 910 P C -2.645 174.714 177.300 0.098 0.000 1.193 910 P CA -0.969 62.151 63.100 0.033 0.000 0.763 910 P CB 0.676 32.370 31.700 -0.009 0.000 0.810 911 P HA -0.005 nan 4.420 nan 0.000 0.267 911 P C 0.703 178.064 177.300 0.102 0.000 1.209 911 P CA 0.817 63.968 63.100 0.086 0.000 0.763 911 P CB 0.063 31.798 31.700 0.060 0.000 0.816 912 G N 3.250 112.111 108.800 0.102 0.000 2.333 912 G HA2 -0.316 3.647 3.960 0.004 0.000 0.296 912 G HA3 -0.316 3.647 3.960 0.004 0.000 0.296 912 G C 0.073 175.040 174.900 0.112 0.000 1.059 912 G CA 0.081 45.225 45.100 0.074 0.000 1.050 912 G HN 0.522 nan 8.290 nan 0.000 0.508 913 F N 1.381 121.342 119.950 0.018 0.000 2.059 913 F HA 0.190 4.719 4.527 0.005 0.000 0.289 913 F C 0.408 176.208 175.800 0.000 0.000 1.128 913 F CA 1.468 59.477 58.000 0.016 0.000 1.181 913 F CB -1.139 37.882 39.000 0.035 0.000 1.012 913 F HN 0.212 nan 8.300 nan 0.000 0.473 914 P HA 0.102 nan 4.420 nan 0.000 0.214 914 P C -0.226 176.819 177.300 -0.425 0.000 1.162 914 P CA 2.134 64.792 63.100 -0.737 0.000 0.879 914 P CB -0.221 31.259 31.700 -0.367 0.000 0.786 915 S N -1.978 113.554 115.700 -0.280 0.000 2.546 915 S HA 0.662 5.134 4.470 0.004 0.000 0.274 915 S C 0.645 175.168 174.600 -0.129 0.000 1.121 915 S CA -0.197 57.872 58.200 -0.218 0.000 0.887 915 S CB 1.203 64.240 63.200 -0.272 0.000 1.094 915 S HN 0.044 nan 8.310 nan 0.000 0.474 916 A N 1.028 123.791 122.820 -0.095 0.000 2.119 916 A HA 0.080 4.403 4.320 0.004 0.000 0.216 916 A C 1.866 179.420 177.584 -0.051 0.000 1.152 916 A CA 0.813 52.821 52.037 -0.048 0.000 0.708 916 A CB -0.229 18.752 19.000 -0.032 0.000 0.805 916 A HN 0.778 nan 8.150 nan 0.000 0.460 917 R N -0.626 119.821 120.500 -0.088 0.000 2.280 917 R HA 0.131 4.474 4.340 0.004 0.000 0.207 917 R C -0.040 176.212 176.300 -0.081 0.000 1.043 917 R CA 0.095 56.142 56.100 -0.088 0.000 1.006 917 R CB -0.345 29.879 30.300 -0.126 0.000 0.885 917 R HN 0.420 nan 8.270 nan 0.000 0.467 918 L N 0.329 121.503 121.223 -0.082 0.000 2.439 918 L HA 0.143 4.485 4.340 0.004 0.000 0.261 918 L C 0.572 177.449 176.870 0.013 0.000 1.153 918 L CA -0.277 54.537 54.840 -0.043 0.000 0.808 918 L CB 1.271 43.311 42.059 -0.031 0.000 1.126 918 L HN -0.032 nan 8.230 nan 0.000 0.460 919 S N 1.212 116.938 115.700 0.042 0.000 2.532 919 S HA 0.462 4.935 4.470 0.004 0.000 0.301 919 S C -1.788 172.860 174.600 0.081 0.000 1.083 919 S CA -1.615 56.617 58.200 0.054 0.000 1.025 919 S CB 1.743 64.972 63.200 0.047 0.000 1.056 919 S HN 0.390 nan 8.310 nan 0.000 0.494 920 P HA -0.170 nan 4.420 nan 0.000 0.217 920 P C 0.805 178.159 177.300 0.089 0.000 1.148 920 P CA 1.364 64.515 63.100 0.084 0.000 0.828 920 P CB 0.034 31.774 31.700 0.066 0.000 0.783 921 E N 0.297 120.544 120.200 0.079 0.000 2.106 921 E HA -0.179 4.174 4.350 0.004 0.000 0.192 921 E C 2.229 178.892 176.600 0.104 0.000 0.984 921 E CA 0.902 57.349 56.400 0.078 0.000 0.806 921 E CB -0.423 29.316 29.700 0.064 0.000 0.750 921 E HN 0.486 nan 8.360 nan 0.000 0.458 922 Q N 0.800 120.675 119.800 0.124 0.000 2.230 922 Q HA -0.060 4.283 4.340 0.004 0.000 0.202 922 Q C 1.962 178.113 176.000 0.252 0.000 0.963 922 Q CA 0.767 56.678 55.803 0.180 0.000 0.866 922 Q CB 0.010 28.848 28.738 0.168 0.000 0.931 922 Q HN 0.173 nan 8.270 nan 0.000 0.452 923 K N 0.744 121.276 120.400 0.220 0.000 2.062 923 K HA -0.127 4.195 4.320 0.004 0.000 0.205 923 K C 1.401 178.103 176.600 0.169 0.000 1.051 923 K CA 1.467 57.892 56.287 0.231 0.000 0.941 923 K CB 0.075 32.693 32.500 0.196 0.000 0.719 923 K HN 0.112 nan 8.250 nan 0.000 0.440 924 D N -0.065 120.409 120.400 0.124 0.000 2.097 924 D HA -0.103 4.540 4.640 0.004 0.000 0.197 924 D C 1.777 178.119 176.300 0.070 0.000 0.984 924 D CA 1.270 55.320 54.000 0.083 0.000 0.826 924 D CB -0.120 40.719 40.800 0.065 0.000 0.973 924 D HN 0.054 nan 8.370 nan 0.000 0.460 925 T N 0.056 114.666 114.554 0.093 0.000 2.684 925 T HA -0.195 4.158 4.350 0.004 0.000 0.267 925 T C 1.627 176.369 174.700 0.070 0.000 1.036 925 T CA 0.881 63.031 62.100 0.082 0.000 1.148 925 T CB -0.480 68.454 68.868 0.109 0.000 0.863 925 T HN 0.122 nan 8.240 nan 0.000 0.436 926 F N 2.293 122.192 119.950 -0.086 0.000 2.102 926 F HA -0.063 4.467 4.527 0.005 0.000 0.298 926 F C 2.775 178.468 175.800 -0.178 0.000 1.105 926 F CA 1.484 59.345 58.000 -0.231 0.000 1.239 926 F CB -0.920 37.694 39.000 -0.645 0.000 0.991 926 F HN 0.227 nan 8.300 nan 0.000 0.474 927 S N -0.290 115.351 115.700 -0.099 0.000 2.383 927 S HA -0.278 4.195 4.470 0.004 0.000 0.229 927 S C 1.919 176.422 174.600 -0.162 0.000 1.030 927 S CA 1.803 59.915 58.200 -0.147 0.000 1.002 927 S CB -0.701 62.490 63.200 -0.015 0.000 0.829 927 S HN 0.626 nan 8.310 nan 0.000 0.467 928 Q N 0.063 119.804 119.800 -0.098 0.000 2.020 928 Q HA -0.126 4.216 4.340 0.004 0.000 0.198 928 Q C 2.541 178.487 176.000 -0.091 0.000 0.974 928 Q CA 1.479 57.243 55.803 -0.064 0.000 0.829 928 Q CB -0.176 28.550 28.738 -0.020 0.000 0.894 928 Q HN 0.754 nan 8.270 nan 0.000 0.433 929 Q N 0.393 120.118 119.800 -0.125 0.000 2.077 929 Q HA -0.180 4.163 4.340 0.004 0.000 0.206 929 Q C 2.074 177.969 176.000 -0.175 0.000 0.989 929 Q CA 1.259 56.987 55.803 -0.124 0.000 0.853 929 Q CB -0.248 28.422 28.738 -0.113 0.000 0.907 929 Q HN 0.421 nan 8.270 nan 0.000 0.418 930 I N 0.462 120.819 120.570 -0.354 0.000 3.001 930 I HA -0.161 4.012 4.170 0.004 0.000 0.268 930 I C 1.282 177.318 176.117 -0.135 0.000 1.267 930 I CA 0.550 61.654 61.300 -0.327 0.000 1.472 930 I CB 0.259 37.891 38.000 -0.614 0.000 1.089 930 I HN 0.197 nan 8.210 nan 0.000 0.468 931 L N 0.592 121.767 121.223 -0.080 0.000 2.592 931 L HA 0.145 4.488 4.340 0.004 0.000 0.227 931 L C 0.781 177.817 176.870 0.276 0.000 1.127 931 L CA -0.116 54.766 54.840 0.070 0.000 0.884 931 L CB -0.271 41.779 42.059 -0.015 0.000 1.065 931 L HN 0.079 nan 8.230 nan 0.000 0.457 932 R N 0.710 121.275 120.500 0.109 0.000 2.537 932 R HA -0.008 4.335 4.340 0.004 0.000 0.280 932 R C 0.816 177.124 176.300 0.013 0.000 1.058 932 R CA 0.022 56.150 56.100 0.047 0.000 1.057 932 R CB 0.521 30.823 30.300 0.004 0.000 0.973 932 R HN 0.202 nan 8.270 nan 0.000 0.438 933 E N 1.901 121.997 120.200 -0.173 0.000 2.371 933 E HA -0.097 4.256 4.350 0.004 0.000 0.194 933 E C 1.722 178.190 176.600 -0.219 0.000 1.012 933 E CA 0.674 56.838 56.400 -0.393 0.000 0.860 933 E CB 0.185 29.500 29.700 -0.641 0.000 0.811 933 E HN 0.624 nan 8.360 nan 0.000 0.502 934 R N 1.203 121.633 120.500 -0.117 0.000 2.393 934 R HA 0.196 4.538 4.340 0.004 0.000 0.244 934 R C 0.989 177.291 176.300 0.004 0.000 0.920 934 R CA 0.262 56.325 56.100 -0.061 0.000 1.076 934 R CB -1.055 29.216 30.300 -0.047 0.000 1.119 934 R HN 0.077 nan 8.270 nan 0.000 0.524 935 V N 1.203 121.129 119.914 0.020 0.000 2.788 935 V HA 0.219 4.341 4.120 0.004 0.000 0.307 935 V C -0.208 176.029 176.094 0.239 0.000 1.069 935 V CA -0.892 61.464 62.300 0.094 0.000 1.173 935 V CB 0.229 32.107 31.823 0.091 0.000 0.925 935 V HN 0.730 nan 8.190 nan 0.000 0.492 936 N N 2.319 121.163 118.700 0.241 0.000 2.430 936 N HA 0.412 5.155 4.740 0.004 0.000 0.298 936 N C 0.290 175.853 175.510 0.089 0.000 1.130 936 N CA -1.063 52.157 53.050 0.284 0.000 0.894 936 N CB 1.215 39.761 38.487 0.099 0.000 1.209 936 N HN 0.565 nan 8.380 nan 0.000 0.503 937 K N -0.069 120.063 120.400 -0.447 0.000 2.077 937 K HA -0.226 4.097 4.320 0.004 0.000 0.213 937 K C 1.632 178.129 176.600 -0.173 0.000 1.051 937 K CA 1.235 57.183 56.287 -0.565 0.000 0.929 937 K CB -0.145 31.898 32.500 -0.762 0.000 0.715 937 K HN 0.432 nan 8.250 nan 0.000 0.451 938 R N 1.212 121.640 120.500 -0.120 0.000 2.096 938 R HA -0.163 4.180 4.340 0.004 0.000 0.240 938 R C 2.282 178.583 176.300 0.002 0.000 1.139 938 R CA 1.653 57.725 56.100 -0.046 0.000 0.952 938 R CB -0.308 29.973 30.300 -0.031 0.000 0.854 938 R HN 0.071 nan 8.270 nan 0.000 0.436 939 R N 0.046 120.562 120.500 0.027 0.000 2.073 939 R HA -0.013 4.329 4.340 0.004 0.000 0.229 939 R C 2.205 178.550 176.300 0.074 0.000 1.120 939 R CA 1.248 57.379 56.100 0.052 0.000 0.967 939 R CB -0.735 29.599 30.300 0.058 0.000 0.862 939 R HN 0.069 nan 8.270 nan 0.000 0.436 940 V N 1.050 121.023 119.914 0.097 0.000 2.490 940 V HA -0.209 3.913 4.120 0.004 0.000 0.250 940 V C 2.112 178.282 176.094 0.127 0.000 1.061 940 V CA 1.926 64.301 62.300 0.125 0.000 1.064 940 V CB -0.411 31.532 31.823 0.201 0.000 0.670 940 V HN 0.314 nan 8.190 nan 0.000 0.461 941 K N -0.165 120.285 120.400 0.084 0.000 2.062 941 K HA -0.074 4.248 4.320 0.004 0.000 0.205 941 K C 1.347 178.004 176.600 0.095 0.000 1.051 941 K CA 0.572 56.909 56.287 0.083 0.000 0.941 941 K CB 0.033 32.553 32.500 0.034 0.000 0.719 941 K HN 0.556 nan 8.250 nan 0.000 0.440 945 K N 0.733 121.223 120.400 0.151 0.000 2.026 945 K HA -0.165 4.158 4.320 0.004 0.000 0.208 945 K C 1.703 178.349 176.600 0.077 0.000 1.048 945 K CA 2.291 58.633 56.287 0.091 0.000 0.929 945 K CB -0.644 31.898 32.500 0.071 0.000 0.713 945 K HN 0.683 nan 8.250 nan 0.000 0.439 946 E N -1.209 119.059 120.200 0.114 0.000 2.058 946 E HA -0.099 4.254 4.350 0.004 0.000 0.194 946 E C 1.936 178.601 176.600 0.108 0.000 0.997 946 E CA 1.348 57.810 56.400 0.105 0.000 0.801 946 E CB -0.233 29.550 29.700 0.137 0.000 0.746 946 E HN 0.558 nan 8.360 nan 0.000 0.450 947 F N 1.013 120.938 119.950 -0.041 0.000 2.051 947 F HA -0.244 4.285 4.527 0.005 0.000 0.296 947 F C 2.661 178.345 175.800 -0.193 0.000 1.122 947 F CA 1.950 59.842 58.000 -0.181 0.000 1.201 947 F CB -1.018 37.696 39.000 -0.476 0.000 0.978 947 F HN -0.066 nan 8.300 nan 0.000 0.472 948 T N 0.521 114.975 114.554 -0.168 0.000 2.721 948 T HA -0.243 4.110 4.350 0.004 0.000 0.268 948 T C 2.235 176.790 174.700 -0.242 0.000 1.038 948 T CA 1.896 63.844 62.100 -0.254 0.000 1.145 948 T CB -0.545 68.257 68.868 -0.109 0.000 0.858 948 T HN 0.294 nan 8.240 nan 0.000 0.459 949 L N -0.027 121.103 121.223 -0.155 0.000 2.046 949 L HA -0.010 4.333 4.340 0.004 0.000 0.208 949 L C 2.546 179.311 176.870 -0.176 0.000 1.077 949 L CA 1.186 55.946 54.840 -0.134 0.000 0.747 949 L CB -0.309 41.705 42.059 -0.074 0.000 0.896 949 L HN 0.326 nan 8.230 nan 0.000 0.432 950 L N -1.496 119.599 121.223 -0.212 0.000 2.141 950 L HA -0.241 4.102 4.340 0.004 0.000 0.209 950 L C 2.580 179.271 176.870 -0.298 0.000 1.094 950 L CA 0.803 55.510 54.840 -0.222 0.000 0.763 950 L CB -0.509 41.429 42.059 -0.202 0.000 0.908 950 L HN 0.418 nan 8.230 nan 0.000 0.437 951 C N -0.310 118.729 119.300 -0.435 0.000 2.435 951 C HA -0.090 4.373 4.460 0.004 0.000 0.279 951 C C 2.775 177.599 174.990 -0.277 0.000 1.321 951 C CA 0.624 59.389 59.018 -0.421 0.000 1.752 951 C CB -0.954 26.462 27.740 -0.540 0.000 1.959 951 C HN 0.491 nan 8.230 nan 0.000 0.500 952 R N 0.203 120.561 120.500 -0.236 0.000 2.123 952 R HA 0.439 4.781 4.340 0.004 0.000 0.209 952 R C 0.919 177.123 176.300 -0.161 0.000 1.078 952 R CA 0.906 56.897 56.100 -0.183 0.000 1.028 952 R CB -0.038 30.164 30.300 -0.163 0.000 0.939 952 R HN 0.478 nan 8.270 nan 0.000 0.463 953 G N -0.840 107.865 108.800 -0.159 0.000 2.339 953 G HA2 0.390 4.353 3.960 0.004 0.000 0.381 953 G HA3 0.390 4.353 3.960 0.004 0.000 0.381 953 G C -1.396 173.414 174.900 -0.151 0.000 1.400 953 G CA -0.664 44.346 45.100 -0.151 0.000 1.002 953 G HN 0.499 nan 8.290 nan 0.000 0.633 954 L N 0.000 121.124 121.223 -0.166 0.000 2.949 954 L HA 0.000 4.343 4.340 0.004 0.000 0.249 954 L CA 0.000 nan 54.840 nan 0.000 0.813 954 L CB 0.000 nan 42.059 nan 0.000 0.961 954 L HN 0.000 nan 8.230 nan 0.000 0.502