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 1ivs_1_A DATA FIRST_RESID 1 DATA SEQUENCE MDLPKAYDPK SVEPKWAEKW AKNPFVANPK SGKPPFVIFM PPPNVTGSLH DATA SEQUENCE MGHALDNSLQ DALIRYKRMR GFEAVWLPGT DHAGIATQVV VERLLLKEGK DATA SEQUENCE TRHDLGREKF LERVWQWKEE SGGTILKQLK RLGASADWSR EAFTMDEKRS DATA SEQUENCE RAVRYAFSRY YHEGLAYRAP RLVNWCPRCE TTLSDLEVET EPTPGKLYTL DATA SEQUENCE RYEVEGGGFI EIATVRPETV FADQAIAVHP EDERYRHLLG KRARIPLTEV DATA SEQUENCE WIPILADPAV EKDFGTGALK VTPAHDPLDY EIGERHGLKP VSVINLEGRM DATA SEQUENCE EGERVPEALR GLDRFEARRK AVELFREAGH LVKEEDYTIA LATCSRCGTP DATA SEQUENCE IEYAIFPQWW LRMRPLAEEV LKGLRRGDIA FVPERWKKVN MDWLENVKDW DATA SEQUENCE NISRQLWWGH QIPAWYCEDC QAVNVPRPER YLEDPTSCEA CGSPRLKRDE DATA SEQUENCE DVFDTWFSSA LWPLSTLGWP EETEDLKAFY PGDVLVTGYD ILFLWVSRME DATA SEQUENCE VSGYHFMGER PFKTVLLHGL VLDEKGQKMS KSKGNVIDPL EMVERYGADA DATA SEQUENCE LRFALIYLAT GGQDIRLDLR WLEMARNFAN KLYNAARFVL LSREGFQAKE DATA SEQUENCE DTPTLADRFM RSRLSRGVEE ITALYEALDL AQAAREVYEL VWSEFCDWYL DATA SEQUENCE EAAKPALKAG NAHTLRTLEE VLAVLLKLLH PMMPFLTSEL YQALTGKEEL DATA SEQUENCE ALEAWPEPGG RDEEAERAFE ALKQAVTAVR ALKAEAGLPP AQEVRVYLEG DATA SEQUENCE ETAPVEENLE VFRFLSRADL LPERPAKALV KAMPRVTARM PLEGLLDVEE DATA SEQUENCE WRRRQEKRLK ELLALAERSQ RKLASPGFRE KAPKEVVEAE EARLKENLEQ DATA SEQUENCE AERIREALSQ IG 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.339 176.300 0.065 0.000 1.140 1 M CA 0.000 55.344 55.300 0.073 0.000 0.988 1 M CB 0.000 32.641 32.600 0.069 0.000 1.302 2 D N 2.349 122.802 120.400 0.088 0.000 2.623 2 D HA 0.423 5.064 4.640 0.001 0.000 0.252 2 D C -0.340 176.025 176.300 0.109 0.000 1.294 2 D CA 0.077 54.125 54.000 0.079 0.000 0.824 2 D CB 0.101 40.943 40.800 0.069 0.000 1.070 2 D HN 0.685 nan 8.370 nan 0.000 0.487 3 L N 1.022 122.325 121.223 0.132 0.000 6.763 3 L HA -0.189 4.152 4.340 0.001 0.000 0.442 3 L C -1.819 175.138 176.870 0.145 0.000 1.594 3 L CA -0.166 54.764 54.840 0.150 0.000 0.600 3 L CB -1.060 41.022 42.059 0.038 0.000 1.373 3 L HN 0.104 nan 8.230 nan 0.000 0.444 4 P HA 0.207 nan 4.420 nan 0.000 0.317 4 P C 0.367 177.779 177.300 0.187 0.000 1.307 4 P CA -0.574 62.624 63.100 0.163 0.000 0.749 4 P CB 0.692 32.483 31.700 0.152 0.000 1.377 5 K N -0.647 119.841 120.400 0.147 0.000 2.076 5 K HA 0.265 4.586 4.320 0.001 0.000 0.204 5 K C 0.802 177.532 176.600 0.218 0.000 1.051 5 K CA 0.959 57.324 56.287 0.130 0.000 0.949 5 K CB -0.634 31.916 32.500 0.083 0.000 0.726 5 K HN 0.380 nan 8.250 nan 0.000 0.443 6 A N 0.281 123.244 122.820 0.238 0.000 2.355 6 A HA 0.459 4.779 4.320 0.001 0.000 0.324 6 A C -1.425 176.299 177.584 0.234 0.000 1.117 6 A CA -0.677 51.514 52.037 0.257 0.000 0.785 6 A CB 0.453 19.528 19.000 0.124 0.000 1.254 6 A HN 0.202 nan 8.150 nan 0.000 0.453 7 Y N 2.076 122.326 120.300 -0.084 0.000 2.402 7 Y HA 0.355 4.905 4.550 0.001 0.000 0.333 7 Y C -0.356 175.382 175.900 -0.270 0.000 1.076 7 Y CA -0.858 56.902 58.100 -0.568 0.000 1.299 7 Y CB 0.745 38.721 38.460 -0.805 0.000 1.197 7 Y HN 0.634 nan 8.280 nan 0.000 0.517 8 D N 8.913 129.188 120.400 -0.208 0.000 2.427 8 D HA 0.267 4.907 4.640 0.001 0.000 0.226 8 D C -2.248 173.743 176.300 -0.515 0.000 1.076 8 D CA -2.120 51.674 54.000 -0.344 0.000 0.849 8 D CB 2.103 42.827 40.800 -0.126 0.000 1.052 8 D HN 0.329 nan 8.370 nan 0.000 0.515 9 P HA -0.128 nan 4.420 nan 0.000 0.215 9 P C 1.066 178.236 177.300 -0.216 0.000 1.153 9 P CA 1.164 63.906 63.100 -0.598 0.000 0.853 9 P CB 0.310 31.705 31.700 -0.508 0.000 0.788 10 K N -0.207 120.079 120.400 -0.190 0.000 2.360 10 K HA -0.085 4.236 4.320 0.001 0.000 0.201 10 K C 1.833 178.407 176.600 -0.044 0.000 1.046 10 K CA 1.690 57.914 56.287 -0.104 0.000 0.940 10 K CB -0.464 31.981 32.500 -0.092 0.000 0.748 10 K HN 0.280 nan 8.250 nan 0.000 0.465 11 S N -1.028 114.662 115.700 -0.017 0.000 2.556 11 S HA 0.079 4.550 4.470 0.001 0.000 0.216 11 S C 1.470 176.129 174.600 0.099 0.000 0.970 11 S CA -0.224 57.997 58.200 0.034 0.000 0.912 11 S CB 0.489 63.713 63.200 0.040 0.000 0.790 11 S HN -0.018 nan 8.310 nan 0.000 0.504 12 V N 0.801 120.796 119.914 0.135 0.000 3.161 12 V HA 0.141 4.262 4.120 0.001 0.000 0.221 12 V C 2.233 178.508 176.094 0.303 0.000 1.296 12 V CA 0.533 62.992 62.300 0.266 0.000 1.306 12 V CB -0.517 31.504 31.823 0.331 0.000 1.171 12 V HN 0.287 nan 8.190 nan 0.000 0.513 13 E N 1.888 122.136 120.200 0.079 0.000 2.035 13 E HA -0.228 4.122 4.350 0.001 0.000 0.204 13 E C -0.482 176.165 176.600 0.079 0.000 1.025 13 E CA 2.196 58.481 56.400 -0.191 0.000 0.835 13 E CB -1.483 27.731 29.700 -0.809 0.000 0.764 13 E HN 0.514 nan 8.360 nan 0.000 0.457 14 P HA -0.280 nan 4.420 nan 0.000 0.216 14 P C 1.345 178.706 177.300 0.101 0.000 1.154 14 P CA 2.058 65.199 63.100 0.068 0.000 0.865 14 P CB -0.161 31.548 31.700 0.015 0.000 0.789 15 K N -1.046 119.403 120.400 0.083 0.000 2.103 15 K HA -0.133 4.187 4.320 0.001 0.000 0.204 15 K C 2.037 178.584 176.600 -0.087 0.000 1.052 15 K CA 1.164 57.433 56.287 -0.030 0.000 0.945 15 K CB -1.027 31.408 32.500 -0.107 0.000 0.722 15 K HN 0.131 nan 8.250 nan 0.000 0.443 16 W N 1.442 122.685 121.300 -0.094 0.000 2.453 16 W HA 0.138 4.799 4.660 0.001 0.000 0.289 16 W C 2.635 178.933 176.519 -0.369 0.000 1.215 16 W CA 1.030 58.121 57.345 -0.422 0.000 1.297 16 W CB -0.204 28.923 29.460 -0.555 0.000 1.113 16 W HN 0.238 nan 8.180 nan 0.000 0.551 17 A N 0.475 123.540 122.820 0.408 0.000 1.883 17 A HA -0.306 4.014 4.320 0.001 0.000 0.217 17 A C 1.874 179.657 177.584 0.332 0.000 1.186 17 A CA 2.187 54.554 52.037 0.551 0.000 0.624 17 A CB -1.021 18.296 19.000 0.528 0.000 0.822 17 A HN 0.436 nan 8.150 nan 0.000 0.444 18 E N -0.363 119.940 120.200 0.173 0.000 2.047 18 E HA -0.240 4.111 4.350 0.001 0.000 0.191 18 E C 2.142 178.795 176.600 0.088 0.000 0.987 18 E CA 1.401 57.862 56.400 0.102 0.000 0.799 18 E CB -0.180 29.541 29.700 0.034 0.000 0.752 18 E HN 0.414 nan 8.360 nan 0.000 0.449 19 K N 0.247 120.637 120.400 -0.017 0.000 2.074 19 K HA -0.184 4.136 4.320 0.001 0.000 0.209 19 K C 1.776 178.473 176.600 0.162 0.000 1.048 19 K CA 1.591 57.845 56.287 -0.056 0.000 0.926 19 K CB -0.295 32.024 32.500 -0.301 0.000 0.713 19 K HN 0.379 nan 8.250 nan 0.000 0.444 20 W N 0.375 121.834 121.300 0.266 0.000 2.476 20 W HA 0.077 4.738 4.660 0.001 0.000 0.281 20 W C 2.317 179.037 176.519 0.335 0.000 1.230 20 W CA 0.569 58.128 57.345 0.358 0.000 1.287 20 W CB -1.049 28.674 29.460 0.439 0.000 1.108 20 W HN 0.181 nan 8.180 nan 0.000 0.567 21 A N 1.271 124.374 122.820 0.473 0.000 1.828 21 A HA -0.220 4.101 4.320 0.001 0.000 0.215 21 A C 1.962 179.679 177.584 0.222 0.000 1.203 21 A CA 2.036 54.242 52.037 0.282 0.000 0.614 21 A CB -0.991 18.086 19.000 0.128 0.000 0.844 21 A HN 0.202 nan 8.150 nan 0.000 0.445 22 K N -0.272 120.218 120.400 0.151 0.000 2.442 22 K HA -0.123 4.198 4.320 0.001 0.000 0.200 22 K C -0.567 176.110 176.600 0.128 0.000 1.045 22 K CA 1.319 57.669 56.287 0.106 0.000 0.937 22 K CB -0.219 32.318 32.500 0.060 0.000 0.757 22 K HN 0.541 nan 8.250 nan 0.000 0.474 23 N N 0.141 118.953 118.700 0.188 0.000 2.726 23 N HA 0.180 4.921 4.740 0.001 0.000 0.253 23 N C -2.885 172.737 175.510 0.186 0.000 1.530 23 N CA -1.132 52.006 53.050 0.146 0.000 0.772 23 N CB 1.362 39.897 38.487 0.080 0.000 1.220 23 N HN -0.145 nan 8.380 nan 0.000 0.508 24 P HA -0.056 nan 4.420 nan 0.000 0.269 24 P C -0.514 176.905 177.300 0.199 0.000 1.200 24 P CA 0.243 63.548 63.100 0.342 0.000 0.779 24 P CB 0.429 32.315 31.700 0.311 0.000 0.841 25 F N 0.465 120.446 119.950 0.052 0.000 2.560 25 F HA 0.141 4.668 4.527 0.001 0.000 0.338 25 F C 0.285 176.085 175.800 0.001 0.000 1.201 25 F CA -0.461 57.553 58.000 0.023 0.000 1.291 25 F CB -0.688 38.300 39.000 -0.022 0.000 1.627 25 F HN -0.090 nan 8.300 nan 0.000 0.588 26 V N 2.155 122.141 119.914 0.120 0.000 2.720 26 V HA 0.126 4.246 4.120 0.001 0.000 0.307 26 V C 0.831 176.974 176.094 0.082 0.000 1.071 26 V CA -0.374 61.977 62.300 0.085 0.000 1.199 26 V CB 0.014 31.879 31.823 0.070 0.000 0.900 26 V HN 0.601 nan 8.190 nan 0.000 0.494 27 A N 4.805 127.666 122.820 0.068 0.000 2.316 27 A HA 0.463 4.784 4.320 0.001 0.000 0.284 27 A C 0.248 177.920 177.584 0.148 0.000 1.115 27 A CA -0.483 51.604 52.037 0.084 0.000 0.812 27 A CB 0.126 19.124 19.000 -0.002 0.000 1.064 27 A HN 0.942 nan 8.150 nan 0.000 0.489 28 N N 2.872 121.676 118.700 0.174 0.000 2.524 28 N HA 0.310 5.051 4.740 0.001 0.000 0.261 28 N C -1.892 173.740 175.510 0.203 0.000 0.998 28 N CA -2.047 51.097 53.050 0.157 0.000 0.915 28 N CB 1.843 40.387 38.487 0.096 0.000 1.187 28 N HN 0.329 nan 8.380 nan 0.000 0.507 29 P HA -0.206 nan 4.420 nan 0.000 0.217 29 P C 0.063 177.354 177.300 -0.016 0.000 1.148 29 P CA 1.473 64.559 63.100 -0.023 0.000 0.828 29 P CB 0.102 31.689 31.700 -0.188 0.000 0.783 30 K N -0.274 120.133 120.400 0.010 0.000 2.570 30 K HA 0.216 4.536 4.320 0.001 0.000 0.210 30 K C 1.459 178.076 176.600 0.027 0.000 1.048 30 K CA 0.013 56.303 56.287 0.005 0.000 1.167 30 K CB -0.162 32.334 32.500 -0.007 0.000 0.892 30 K HN -0.077 nan 8.250 nan 0.000 0.480 31 S N 1.337 117.071 115.700 0.056 0.000 2.469 31 S HA -0.067 4.403 4.470 0.001 0.000 0.238 31 S C 1.470 176.090 174.600 0.034 0.000 0.998 31 S CA 1.154 59.387 58.200 0.056 0.000 0.957 31 S CB -0.664 62.588 63.200 0.087 0.000 0.764 31 S HN 0.732 nan 8.310 nan 0.000 0.514 32 G N 0.918 109.736 108.800 0.029 0.000 2.258 32 G HA2 -0.304 3.656 3.960 0.001 0.000 0.274 32 G HA3 -0.304 3.656 3.960 0.001 0.000 0.274 32 G C -0.095 174.807 174.900 0.003 0.000 1.021 32 G CA 0.913 46.020 45.100 0.012 0.000 0.798 32 G HN 0.733 nan 8.290 nan 0.000 0.507 33 K N -0.004 120.406 120.400 0.016 0.000 2.427 33 K HA 0.551 4.872 4.320 0.001 0.000 0.252 33 K C -2.602 174.007 176.600 0.014 0.000 0.931 33 K CA -2.434 53.843 56.287 -0.016 0.000 0.793 33 K CB 2.056 34.550 32.500 -0.010 0.000 1.211 33 K HN -0.099 nan 8.250 nan 0.000 0.426 34 P HA -0.044 nan 4.420 nan 0.000 0.259 34 P C -2.549 174.908 177.300 0.262 0.000 1.163 34 P CA -0.465 62.669 63.100 0.057 0.000 0.760 34 P CB 0.097 31.713 31.700 -0.139 0.000 0.762 35 P HA 0.349 nan 4.420 nan 0.000 0.281 35 P C -1.328 176.150 177.300 0.298 0.000 1.264 35 P CA -0.336 62.939 63.100 0.291 0.000 0.824 35 P CB 0.969 32.859 31.700 0.317 0.000 1.092 36 F N 1.145 121.081 119.950 -0.022 0.000 2.617 36 F HA 0.423 4.951 4.527 0.001 0.000 0.325 36 F C -1.739 173.908 175.800 -0.255 0.000 1.179 36 F CA -0.641 57.249 58.000 -0.183 0.000 0.965 36 F CB 1.260 40.069 39.000 -0.319 0.000 1.232 36 F HN -0.015 nan 8.300 nan 0.000 0.461 37 V N 7.083 126.436 119.914 -0.935 0.000 2.680 37 V HA 0.607 4.727 4.120 0.001 0.000 0.309 37 V C -0.406 175.127 176.094 -0.935 0.000 1.052 37 V CA -0.811 60.987 62.300 -0.836 0.000 0.908 37 V CB 2.160 33.573 31.823 -0.683 0.000 1.001 37 V HN 0.675 nan 8.190 nan 0.000 0.431 38 I N 3.517 123.653 120.570 -0.725 0.000 2.548 38 I HA 0.411 4.582 4.170 0.001 0.000 0.287 38 I C -1.408 174.570 176.117 -0.231 0.000 1.103 38 I CA -0.200 60.830 61.300 -0.449 0.000 1.049 38 I CB 2.107 39.900 38.000 -0.344 0.000 1.232 38 I HN 0.456 nan 8.210 nan 0.000 0.429 39 F N 6.281 126.355 119.950 0.207 0.000 2.411 39 F HA 0.392 4.920 4.527 0.001 0.000 0.355 39 F C 0.667 176.790 175.800 0.540 0.000 1.117 39 F CA -0.495 57.742 58.000 0.395 0.000 1.139 39 F CB 1.105 40.393 39.000 0.480 0.000 1.120 39 F HN 0.351 nan 8.300 nan 0.000 0.493 40 M N 7.386 127.394 119.600 0.680 0.000 2.219 40 M HA 0.255 4.735 4.480 0.001 0.000 0.353 40 M C -2.383 174.182 176.300 0.442 0.000 1.304 40 M CA -1.608 54.021 55.300 0.548 0.000 1.115 40 M CB 1.022 33.735 32.600 0.189 0.000 1.664 40 M HN 0.223 nan 8.290 nan 0.000 0.459 41 P HA 0.196 nan 4.420 nan 0.000 0.275 41 P C -2.709 174.390 177.300 -0.335 0.000 1.276 41 P CA -1.120 61.835 63.100 -0.242 0.000 0.782 41 P CB -0.229 31.227 31.700 -0.406 0.000 0.851 42 P HA 0.144 nan 4.420 nan 0.000 0.264 42 P C -2.455 174.626 177.300 -0.365 0.000 1.229 42 P CA -1.447 61.425 63.100 -0.381 0.000 0.780 42 P CB -0.637 30.708 31.700 -0.591 0.000 0.808 43 P HA 0.022 nan 4.420 nan 0.000 0.264 43 P C 0.208 177.375 177.300 -0.223 0.000 1.193 43 P CA 0.483 63.370 63.100 -0.356 0.000 0.763 43 P CB 0.225 31.666 31.700 -0.432 0.000 0.810 44 N N 1.819 120.404 118.700 -0.192 0.000 2.458 44 N HA -0.013 4.727 4.740 0.001 0.000 0.258 44 N C 0.398 175.909 175.510 0.000 0.000 1.219 44 N CA -0.007 52.988 53.050 -0.093 0.000 0.902 44 N CB 0.440 38.882 38.487 -0.075 0.000 1.076 44 N HN 0.115 nan 8.380 nan 0.000 0.455 45 V N 1.330 121.298 119.914 0.090 0.000 3.264 45 V HA -0.048 4.072 4.120 0.001 0.000 0.343 45 V C 0.781 177.044 176.094 0.281 0.000 1.235 45 V CA 0.410 62.785 62.300 0.125 0.000 1.439 45 V CB -2.026 29.923 31.823 0.210 0.000 1.119 45 V HN 0.662 nan 8.190 nan 0.000 0.423 46 T N -0.994 113.705 114.554 0.242 0.000 2.893 46 T HA 0.676 5.026 4.350 0.001 0.000 0.324 46 T C 0.599 175.497 174.700 0.330 0.000 1.082 46 T CA 0.060 62.385 62.100 0.375 0.000 0.983 46 T CB 1.290 70.266 68.868 0.181 0.000 1.005 46 T HN 0.903 nan 8.240 nan 0.000 0.475 47 G N 3.960 113.087 108.800 0.544 0.000 2.575 47 G HA2 -0.185 3.775 3.960 0.001 0.000 0.267 47 G HA3 -0.185 3.775 3.960 0.001 0.000 0.267 47 G C 0.060 175.011 174.900 0.085 0.000 1.264 47 G CA -0.169 45.115 45.100 0.307 0.000 0.935 47 G HN 1.149 nan 8.290 nan 0.000 0.568 48 S N -0.920 114.834 115.700 0.089 0.000 2.623 48 S HA 0.763 5.234 4.470 0.001 0.000 0.278 48 S C 0.641 175.301 174.600 0.100 0.000 1.148 48 S CA -0.505 57.727 58.200 0.052 0.000 1.028 48 S CB 0.815 64.049 63.200 0.057 0.000 1.145 48 S HN 0.686 nan 8.310 nan 0.000 0.523 49 L N 1.250 122.543 121.223 0.116 0.000 2.400 49 L HA 0.571 4.911 4.340 0.001 0.000 0.264 49 L C 0.346 177.306 176.870 0.150 0.000 1.061 49 L CA -0.796 54.216 54.840 0.286 0.000 0.799 49 L CB 0.779 42.996 42.059 0.264 0.000 1.240 49 L HN 0.821 nan 8.230 nan 0.000 0.461 50 H N -0.705 118.388 119.070 0.040 0.000 2.908 50 H HA 0.298 4.855 4.556 0.001 0.000 0.350 50 H C 0.399 175.667 175.328 -0.099 0.000 1.217 50 H CA -0.989 55.011 56.048 -0.079 0.000 1.168 50 H CB 1.887 31.559 29.762 -0.151 0.000 1.891 50 H HN 0.511 nan 8.280 nan 0.000 0.566 51 M N 0.998 120.713 119.600 0.192 0.000 2.331 51 M HA -0.154 4.326 4.480 0.001 0.000 0.260 51 M C 1.977 178.355 176.300 0.130 0.000 1.072 51 M CA 2.137 57.507 55.300 0.116 0.000 1.065 51 M CB -0.408 32.222 32.600 0.050 0.000 1.392 51 M HN 0.881 nan 8.290 nan 0.000 0.427 52 G N -1.199 107.789 108.800 0.314 0.000 2.434 52 G HA2 -0.221 3.740 3.960 0.001 0.000 0.214 52 G HA3 -0.221 3.740 3.960 0.001 0.000 0.214 52 G C 0.972 175.923 174.900 0.085 0.000 1.202 52 G CA 1.128 46.334 45.100 0.176 0.000 0.788 52 G HN 0.591 nan 8.290 nan 0.000 0.539 53 H N 0.786 119.871 119.070 0.026 0.000 2.319 53 H HA -0.068 4.489 4.556 0.001 0.000 0.297 53 H C 2.980 178.311 175.328 0.005 0.000 1.097 53 H CA 0.871 56.891 56.048 -0.048 0.000 1.285 53 H CB -0.003 29.673 29.762 -0.143 0.000 1.368 53 H HN 0.426 nan 8.280 nan 0.000 0.495 54 A N 1.171 124.078 122.820 0.145 0.000 1.917 54 A HA -0.206 4.114 4.320 0.001 0.000 0.219 54 A C 2.346 179.952 177.584 0.036 0.000 1.182 54 A CA 1.821 53.921 52.037 0.105 0.000 0.633 54 A CB -0.749 18.310 19.000 0.098 0.000 0.819 54 A HN 0.387 nan 8.150 nan 0.000 0.448 55 L N 0.204 121.414 121.223 -0.022 0.000 2.017 55 L HA -0.149 4.191 4.340 0.001 0.000 0.208 55 L C 1.933 178.647 176.870 -0.261 0.000 1.073 55 L CA 2.983 57.739 54.840 -0.140 0.000 0.745 55 L CB -0.796 41.157 42.059 -0.176 0.000 0.894 55 L HN 0.448 nan 8.230 nan 0.000 0.432 56 D N -0.484 119.769 120.400 -0.244 0.000 2.092 56 D HA -0.229 4.411 4.640 0.001 0.000 0.193 56 D C 1.842 178.108 176.300 -0.057 0.000 0.994 56 D CA 1.805 55.663 54.000 -0.237 0.000 0.828 56 D CB -0.131 40.690 40.800 0.035 0.000 0.963 56 D HN 0.458 nan 8.370 nan 0.000 0.450 57 N N -0.323 118.425 118.700 0.079 0.000 2.216 57 N HA -0.121 4.619 4.740 0.001 0.000 0.183 57 N C 1.817 177.377 175.510 0.083 0.000 1.017 57 N CA 0.823 54.008 53.050 0.224 0.000 0.861 57 N CB -0.411 38.284 38.487 0.347 0.000 0.986 57 N HN 0.139 nan 8.380 nan 0.000 0.428 58 S N 1.370 117.089 115.700 0.032 0.000 2.365 58 S HA -0.047 4.423 4.470 0.001 0.000 0.225 58 S C 2.086 176.613 174.600 -0.122 0.000 1.039 58 S CA 0.775 58.966 58.200 -0.015 0.000 1.033 58 S CB -0.247 62.951 63.200 -0.003 0.000 0.887 58 S HN 0.205 nan 8.310 nan 0.000 0.447 59 L N 0.873 121.995 121.223 -0.170 0.000 2.017 59 L HA -0.169 4.172 4.340 0.001 0.000 0.208 59 L C 2.936 179.646 176.870 -0.268 0.000 1.073 59 L CA 1.681 56.391 54.840 -0.217 0.000 0.745 59 L CB -0.539 41.374 42.059 -0.243 0.000 0.894 59 L HN 0.442 nan 8.230 nan 0.000 0.432 60 Q N -0.621 118.990 119.800 -0.315 0.000 2.030 60 Q HA -0.270 4.070 4.340 0.001 0.000 0.204 60 Q C 1.952 177.448 176.000 -0.839 0.000 0.986 60 Q CA 1.860 57.323 55.803 -0.566 0.000 0.843 60 Q CB -0.335 28.031 28.738 -0.621 0.000 0.904 60 Q HN 0.467 nan 8.270 nan 0.000 0.420 61 D N 0.397 120.288 120.400 -0.848 0.000 2.106 61 D HA -0.196 4.444 4.640 0.001 0.000 0.191 61 D C 1.839 177.870 176.300 -0.448 0.000 0.997 61 D CA 1.588 55.170 54.000 -0.697 0.000 0.834 61 D CB 0.004 40.634 40.800 -0.284 0.000 0.956 61 D HN 0.224 nan 8.370 nan 0.000 0.448 62 A N 0.516 123.156 122.820 -0.301 0.000 1.986 62 A HA -0.175 4.145 4.320 0.001 0.000 0.220 62 A C 2.584 180.065 177.584 -0.171 0.000 1.171 62 A CA 1.210 53.136 52.037 -0.184 0.000 0.640 62 A CB -0.689 18.252 19.000 -0.098 0.000 0.811 62 A HN 0.380 nan 8.150 nan 0.000 0.451 63 L N -0.897 120.170 121.223 -0.261 0.000 2.095 63 L HA -0.082 4.259 4.340 0.001 0.000 0.204 63 L C 2.384 179.014 176.870 -0.400 0.000 1.080 63 L CA 0.344 55.020 54.840 -0.272 0.000 0.759 63 L CB -0.371 41.562 42.059 -0.209 0.000 0.914 63 L HN 0.257 nan 8.230 nan 0.000 0.439 64 I N 0.257 120.593 120.570 -0.391 0.000 2.099 64 I HA -0.285 3.886 4.170 0.001 0.000 0.239 64 I C 2.759 178.662 176.117 -0.357 0.000 1.066 64 I CA 1.616 62.708 61.300 -0.346 0.000 1.324 64 I CB -1.076 36.679 38.000 -0.408 0.000 1.037 64 I HN 0.286 nan 8.210 nan 0.000 0.401 65 R N -0.512 119.772 120.500 -0.360 0.000 2.091 65 R HA -0.248 4.093 4.340 0.001 0.000 0.238 65 R C 2.353 178.487 176.300 -0.276 0.000 1.136 65 R CA 1.866 57.773 56.100 -0.323 0.000 0.959 65 R CB -0.932 29.127 30.300 -0.401 0.000 0.856 65 R HN 0.442 nan 8.270 nan 0.000 0.437 66 Y N 2.173 122.187 120.300 -0.478 0.000 2.089 66 Y HA -0.231 4.319 4.550 0.001 0.000 0.282 66 Y C 2.238 177.747 175.900 -0.652 0.000 1.139 66 Y CA 1.523 59.192 58.100 -0.719 0.000 1.123 66 Y CB -0.020 37.907 38.460 -0.889 0.000 0.980 66 Y HN -0.184 nan 8.280 nan 0.000 0.493 67 K N 0.553 120.474 120.400 -0.799 0.000 2.032 67 K HA -0.261 4.059 4.320 0.001 0.000 0.209 67 K C 2.211 178.562 176.600 -0.415 0.000 1.048 67 K CA 1.858 57.611 56.287 -0.891 0.000 0.927 67 K CB -0.579 31.127 32.500 -1.323 0.000 0.712 67 K HN 0.400 nan 8.250 nan 0.000 0.441 68 R N 1.666 121.986 120.500 -0.300 0.000 2.127 68 R HA -0.134 4.206 4.340 0.001 0.000 0.228 68 R C 2.445 178.691 176.300 -0.090 0.000 1.125 68 R CA 2.345 58.378 56.100 -0.112 0.000 0.904 68 R CB -0.428 29.814 30.300 -0.096 0.000 0.831 68 R HN 0.246 nan 8.270 nan 0.000 0.431 69 M N -0.315 119.223 119.600 -0.103 0.000 2.763 69 M HA 0.058 4.538 4.480 0.001 0.000 0.244 69 M C 1.343 177.601 176.300 -0.070 0.000 1.065 69 M CA 1.299 56.587 55.300 -0.019 0.000 1.070 69 M CB 0.080 32.738 32.600 0.097 0.000 1.494 69 M HN -0.007 nan 8.290 nan 0.000 0.546 70 R N 1.065 121.408 120.500 -0.261 0.000 2.312 70 R HA 0.267 4.608 4.340 0.001 0.000 0.205 70 R C 1.068 177.309 176.300 -0.100 0.000 0.904 70 R CA 1.008 56.908 56.100 -0.333 0.000 1.052 70 R CB 0.063 29.834 30.300 -0.882 0.000 1.014 70 R HN 0.634 nan 8.270 nan 0.000 0.503 71 G N -1.629 107.136 108.800 -0.058 0.000 2.205 71 G HA2 -0.182 3.778 3.960 0.001 0.000 0.180 71 G HA3 -0.182 3.778 3.960 0.001 0.000 0.180 71 G C 0.013 174.761 174.900 -0.254 0.000 1.004 71 G CA -0.247 44.754 45.100 -0.165 0.000 0.670 71 G HN 0.184 nan 8.290 nan 0.000 0.496 72 F N 0.462 120.338 119.950 -0.124 0.000 2.461 72 F HA 0.685 5.212 4.527 0.001 0.000 0.337 72 F C 0.805 176.592 175.800 -0.021 0.000 1.079 72 F CA -1.013 56.953 58.000 -0.058 0.000 1.032 72 F CB 0.790 39.758 39.000 -0.053 0.000 1.327 72 F HN -0.227 nan 8.300 nan 0.000 0.491 73 E N 1.521 121.868 120.200 0.245 0.000 1.986 73 E HA 0.309 4.659 4.350 0.001 0.000 0.264 73 E C -0.801 175.864 176.600 0.109 0.000 1.023 73 E CA -0.402 56.085 56.400 0.146 0.000 0.834 73 E CB 1.087 30.879 29.700 0.153 0.000 1.111 73 E HN 0.581 nan 8.360 nan 0.000 0.417 74 A N 3.505 126.375 122.820 0.084 0.000 2.438 74 A HA 0.247 4.567 4.320 0.001 0.000 0.280 74 A C 0.092 177.652 177.584 -0.040 0.000 1.160 74 A CA -0.288 51.782 52.037 0.055 0.000 0.821 74 A CB 0.081 19.076 19.000 -0.009 0.000 1.101 74 A HN 0.282 nan 8.150 nan 0.000 0.515 75 V N 3.570 123.394 119.914 -0.151 0.000 2.350 75 V HA 0.370 4.490 4.120 0.001 0.000 0.285 75 V C -0.850 175.125 176.094 -0.198 0.000 1.014 75 V CA -0.502 61.619 62.300 -0.299 0.000 0.831 75 V CB 1.016 32.392 31.823 -0.745 0.000 1.000 75 V HN 0.899 nan 8.190 nan 0.000 0.433 76 W N 7.238 128.339 121.300 -0.331 0.000 2.393 76 W HA 0.607 5.267 4.660 0.001 0.000 0.315 76 W C -1.319 175.037 176.519 -0.273 0.000 1.009 76 W CA -1.661 55.503 57.345 -0.302 0.000 1.313 76 W CB 1.458 30.756 29.460 -0.269 0.000 1.269 76 W HN 0.306 nan 8.180 nan 0.000 0.420 77 L N 9.325 130.488 121.223 -0.100 0.000 2.342 77 L HA 0.298 4.638 4.340 0.001 0.000 0.285 77 L C -1.601 175.192 176.870 -0.129 0.000 1.095 77 L CA -1.654 53.110 54.840 -0.127 0.000 0.843 77 L CB -0.247 41.795 42.059 -0.028 0.000 1.201 77 L HN 0.238 nan 8.230 nan 0.000 0.445 78 P HA 0.603 nan 4.420 nan 0.000 0.279 78 P C -0.171 177.254 177.300 0.208 0.000 1.276 78 P CA -0.257 62.729 63.100 -0.190 0.000 0.801 78 P CB 2.287 33.754 31.700 -0.389 0.000 1.127 79 G N -1.025 107.958 108.800 0.305 0.000 2.358 79 G HA2 0.462 4.423 3.960 0.001 0.000 0.301 79 G HA3 0.462 4.423 3.960 0.001 0.000 0.301 79 G C -1.335 173.745 174.900 0.300 0.000 1.539 79 G CA -0.530 44.844 45.100 0.458 0.000 0.893 79 G HN 0.705 nan 8.290 nan 0.000 0.636 80 T N -1.222 113.533 114.554 0.335 0.000 2.885 80 T HA 0.696 5.047 4.350 0.001 0.000 0.285 80 T C -1.207 173.654 174.700 0.268 0.000 1.019 80 T CA -0.763 61.464 62.100 0.212 0.000 1.010 80 T CB 2.595 71.571 68.868 0.180 0.000 1.022 80 T HN 0.511 nan 8.240 nan 0.000 0.466 81 D N 0.465 120.895 120.400 0.051 0.000 2.193 81 D HA 0.148 4.788 4.640 0.001 0.000 0.244 81 D C 1.462 177.844 176.300 0.136 0.000 1.064 81 D CA -0.560 53.426 54.000 -0.024 0.000 0.845 81 D CB 0.955 41.578 40.800 -0.296 0.000 1.148 81 D HN 0.818 nan 8.370 nan 0.000 0.464 82 H N 3.969 123.008 119.070 -0.052 0.000 2.518 82 H HA -0.039 4.517 4.556 0.001 0.000 0.289 82 H C 1.128 176.604 175.328 0.246 0.000 1.051 82 H CA 1.358 57.488 56.048 0.138 0.000 1.280 82 H CB -0.299 29.234 29.762 -0.381 0.000 1.380 82 H HN 0.511 nan 8.280 nan 0.000 0.566 83 A N -0.184 122.383 122.820 -0.422 0.000 4.284 83 A HA -0.276 4.044 4.320 0.001 0.000 0.264 83 A C 2.239 179.606 177.584 -0.361 0.000 0.856 83 A CA 2.259 54.077 52.037 -0.364 0.000 1.165 83 A CB -2.216 16.736 19.000 -0.080 0.000 1.059 83 A HN 1.594 nan 8.150 nan 0.000 0.803 84 G N -0.737 107.851 108.800 -0.354 0.000 2.665 84 G HA2 -0.271 3.690 3.960 0.001 0.000 0.326 84 G HA3 -0.271 3.690 3.960 0.001 0.000 0.326 84 G C 1.211 176.205 174.900 0.158 0.000 1.231 84 G CA 2.076 47.189 45.100 0.022 0.000 0.992 84 G HN 1.987 nan 8.290 nan 0.000 0.549 85 I N 1.948 122.543 120.570 0.040 0.000 2.147 85 I HA -0.143 4.028 4.170 0.001 0.000 0.245 85 I C 3.081 179.190 176.117 -0.013 0.000 1.059 85 I CA 2.880 64.193 61.300 0.021 0.000 1.320 85 I CB -1.117 36.895 38.000 0.020 0.000 1.021 85 I HN 1.147 nan 8.210 nan 0.000 0.415 86 A N -0.594 122.212 122.820 -0.024 0.000 1.836 86 A HA -0.303 4.017 4.320 0.001 0.000 0.215 86 A C 2.342 179.885 177.584 -0.068 0.000 1.214 86 A CA 3.386 55.403 52.037 -0.034 0.000 0.636 86 A CB -1.745 17.236 19.000 -0.032 0.000 0.847 86 A HN 0.506 nan 8.150 nan 0.000 0.451 87 T N -0.317 114.205 114.554 -0.053 0.000 2.684 87 T HA -0.328 4.023 4.350 0.001 0.000 0.267 87 T C 1.993 176.495 174.700 -0.331 0.000 1.032 87 T CA 2.209 64.210 62.100 -0.164 0.000 1.155 87 T CB -0.470 68.312 68.868 -0.143 0.000 0.857 87 T HN 0.626 nan 8.240 nan 0.000 0.457 88 Q N 0.874 120.517 119.800 -0.261 0.000 1.998 88 Q HA -0.176 4.164 4.340 0.001 0.000 0.209 88 Q C 2.265 178.163 176.000 -0.170 0.000 1.002 88 Q CA 2.502 58.194 55.803 -0.185 0.000 0.858 88 Q CB -0.791 27.915 28.738 -0.054 0.000 0.932 88 Q HN 0.439 nan 8.270 nan 0.000 0.416 89 V N -0.157 119.664 119.914 -0.156 0.000 2.324 89 V HA -0.294 3.827 4.120 0.001 0.000 0.250 89 V C 2.378 178.350 176.094 -0.203 0.000 1.060 89 V CA 1.777 63.982 62.300 -0.159 0.000 1.042 89 V CB -0.997 30.753 31.823 -0.123 0.000 0.650 89 V HN 0.344 nan 8.190 nan 0.000 0.450 90 V N 0.198 119.957 119.914 -0.259 0.000 2.255 90 V HA -0.240 3.881 4.120 0.001 0.000 0.247 90 V C 2.432 178.213 176.094 -0.521 0.000 1.051 90 V CA 2.231 64.303 62.300 -0.380 0.000 1.018 90 V CB -0.674 30.877 31.823 -0.453 0.000 0.641 90 V HN 0.465 nan 8.190 nan 0.000 0.445 91 V N -0.519 119.049 119.914 -0.577 0.000 2.515 91 V HA -0.228 3.892 4.120 0.001 0.000 0.250 91 V C 2.320 178.271 176.094 -0.238 0.000 1.058 91 V CA 1.837 63.817 62.300 -0.534 0.000 1.064 91 V CB -0.719 30.767 31.823 -0.562 0.000 0.675 91 V HN 0.574 nan 8.190 nan 0.000 0.461 92 E N 0.360 120.476 120.200 -0.139 0.000 2.051 92 E HA -0.213 4.138 4.350 0.001 0.000 0.192 92 E C 2.538 179.070 176.600 -0.115 0.000 0.991 92 E CA 1.297 57.655 56.400 -0.071 0.000 0.799 92 E CB -0.079 29.541 29.700 -0.134 0.000 0.748 92 E HN 0.504 nan 8.360 nan 0.000 0.449 93 R N 0.144 120.550 120.500 -0.157 0.000 2.091 93 R HA -0.145 4.195 4.340 0.001 0.000 0.238 93 R C 2.494 178.716 176.300 -0.130 0.000 1.136 93 R CA 1.232 57.250 56.100 -0.136 0.000 0.959 93 R CB -0.331 29.882 30.300 -0.146 0.000 0.856 93 R HN 0.239 nan 8.270 nan 0.000 0.437 94 L N 0.480 121.592 121.223 -0.185 0.000 2.083 94 L HA -0.205 4.136 4.340 0.001 0.000 0.209 94 L C 2.367 179.187 176.870 -0.084 0.000 1.083 94 L CA 1.178 55.927 54.840 -0.152 0.000 0.752 94 L CB -0.561 41.358 42.059 -0.234 0.000 0.899 94 L HN 0.220 nan 8.230 nan 0.000 0.433 95 L N -0.566 120.614 121.223 -0.072 0.000 1.961 95 L HA -0.244 4.096 4.340 0.001 0.000 0.210 95 L C 2.575 179.433 176.870 -0.020 0.000 1.072 95 L CA 0.928 55.756 54.840 -0.020 0.000 0.749 95 L CB -0.554 41.519 42.059 0.023 0.000 0.889 95 L HN 0.200 nan 8.230 nan 0.000 0.432 96 L N 0.305 121.506 121.223 -0.036 0.000 2.081 96 L HA -0.228 4.112 4.340 0.001 0.000 0.212 96 L C 2.082 178.937 176.870 -0.026 0.000 1.080 96 L CA 1.827 56.648 54.840 -0.033 0.000 0.754 96 L CB -0.646 41.385 42.059 -0.048 0.000 0.893 96 L HN 0.122 nan 8.230 nan 0.000 0.433 97 K N -0.424 119.955 120.400 -0.034 0.000 2.611 97 K HA -0.044 4.276 4.320 0.001 0.000 0.193 97 K C 1.132 177.724 176.600 -0.014 0.000 1.026 97 K CA 0.533 56.804 56.287 -0.025 0.000 1.063 97 K CB 0.015 32.496 32.500 -0.033 0.000 0.839 97 K HN 0.565 nan 8.250 nan 0.000 0.505 98 E N -1.677 118.518 120.200 -0.009 0.000 2.399 98 E HA 0.093 4.444 4.350 0.001 0.000 0.206 98 E C 1.155 177.759 176.600 0.006 0.000 0.812 98 E CA 0.483 56.884 56.400 0.002 0.000 1.138 98 E CB 1.218 30.922 29.700 0.007 0.000 1.140 98 E HN 0.335 nan 8.360 nan 0.000 0.536 99 G N 1.112 109.915 108.800 0.005 0.000 3.345 99 G HA2 -0.109 3.852 3.960 0.001 0.000 0.199 99 G HA3 -0.109 3.852 3.960 0.001 0.000 0.199 99 G C 0.024 174.931 174.900 0.012 0.000 1.057 99 G CA -0.512 44.593 45.100 0.008 0.000 0.865 99 G HN -0.008 nan 8.290 nan 0.000 0.449 100 K N 0.875 121.286 120.400 0.018 0.000 2.185 100 K HA 0.728 5.048 4.320 0.001 0.000 0.240 100 K C -0.177 176.433 176.600 0.016 0.000 0.983 100 K CA -0.051 56.252 56.287 0.026 0.000 0.873 100 K CB 1.999 34.527 32.500 0.046 0.000 1.118 100 K HN 0.355 nan 8.250 nan 0.000 0.441 101 T N -3.201 111.357 114.554 0.007 0.000 2.865 101 T HA 0.308 4.658 4.350 0.001 0.000 0.294 101 T C 0.938 175.576 174.700 -0.103 0.000 1.119 101 T CA -1.001 61.072 62.100 -0.044 0.000 1.007 101 T CB 1.867 70.687 68.868 -0.081 0.000 1.225 101 T HN 0.703 nan 8.240 nan 0.000 0.515 102 R N 0.081 120.393 120.500 -0.312 0.000 2.307 102 R HA -0.328 4.012 4.340 0.001 0.000 0.224 102 R C 1.963 178.005 176.300 -0.429 0.000 1.106 102 R CA 2.868 58.513 56.100 -0.758 0.000 0.840 102 R CB -1.189 28.375 30.300 -1.226 0.000 0.952 102 R HN 0.824 nan 8.270 nan 0.000 0.401 103 H N -0.014 118.919 119.070 -0.228 0.000 2.387 103 H HA -0.107 4.449 4.556 0.001 0.000 0.299 103 H C 1.873 177.235 175.328 0.057 0.000 1.099 103 H CA 1.828 57.871 56.048 -0.008 0.000 1.315 103 H CB -0.583 29.164 29.762 -0.025 0.000 1.380 103 H HN 0.464 nan 8.280 nan 0.000 0.513 104 D N 0.770 121.244 120.400 0.125 0.000 2.239 104 D HA -0.121 4.520 4.640 0.001 0.000 0.202 104 D C 0.824 177.199 176.300 0.124 0.000 0.993 104 D CA 0.973 55.036 54.000 0.105 0.000 0.874 104 D CB -0.147 40.692 40.800 0.066 0.000 0.922 104 D HN 0.411 nan 8.370 nan 0.000 0.464 105 L N -3.359 117.957 121.223 0.155 0.000 2.417 105 L HA 0.676 5.016 4.340 0.001 0.000 0.259 105 L C 0.723 177.746 176.870 0.256 0.000 1.023 105 L CA -1.048 53.904 54.840 0.187 0.000 0.901 105 L CB 1.173 43.348 42.059 0.193 0.000 1.227 105 L HN -0.010 nan 8.230 nan 0.000 0.454 106 G N 2.604 111.530 108.800 0.210 0.000 2.463 106 G HA2 -0.364 3.596 3.960 0.001 0.000 0.859 106 G HA3 -0.364 3.596 3.960 0.001 0.000 0.859 106 G C 0.482 175.497 174.900 0.192 0.000 1.376 106 G CA 0.906 46.111 45.100 0.175 0.000 0.889 106 G HN 0.961 nan 8.290 nan 0.000 0.511 107 R N -0.443 119.996 120.500 -0.102 0.000 2.437 107 R HA 0.237 4.578 4.340 0.001 0.000 0.257 107 R C 1.929 178.208 176.300 -0.034 0.000 0.927 107 R CA 0.971 56.761 56.100 -0.517 0.000 1.078 107 R CB 0.073 29.754 30.300 -1.033 0.000 1.161 107 R HN 0.737 nan 8.270 nan 0.000 0.529 108 E N 0.199 120.447 120.200 0.080 0.000 2.110 108 E HA -0.016 4.334 4.350 0.001 0.000 0.194 108 E C 0.931 177.649 176.600 0.197 0.000 0.944 108 E CA -0.111 56.366 56.400 0.129 0.000 0.899 108 E CB 0.274 30.020 29.700 0.078 0.000 0.907 108 E HN -0.066 nan 8.360 nan 0.000 0.473 109 K N 0.543 121.053 120.400 0.182 0.000 2.189 109 K HA -0.207 4.113 4.320 0.001 0.000 0.207 109 K C 1.965 178.708 176.600 0.237 0.000 1.046 109 K CA 1.377 57.773 56.287 0.183 0.000 0.928 109 K CB -0.587 32.014 32.500 0.169 0.000 0.720 109 K HN 0.245 nan 8.250 nan 0.000 0.458 110 F N 1.097 121.154 119.950 0.177 0.000 2.149 110 F HA -0.054 4.473 4.527 0.001 0.000 0.294 110 F C 1.969 177.893 175.800 0.207 0.000 1.095 110 F CA 0.639 58.755 58.000 0.193 0.000 1.276 110 F CB -0.275 38.912 39.000 0.311 0.000 1.023 110 F HN -0.122 nan 8.300 nan 0.000 0.480 111 L N 0.793 122.197 121.223 0.303 0.000 2.349 111 L HA -0.174 4.166 4.340 0.001 0.000 0.220 111 L C 1.811 178.852 176.870 0.284 0.000 1.130 111 L CA 1.722 56.724 54.840 0.270 0.000 0.791 111 L CB -0.830 41.486 42.059 0.428 0.000 0.918 111 L HN 0.382 nan 8.230 nan 0.000 0.444 112 E N -0.616 119.704 120.200 0.199 0.000 2.005 112 E HA -0.164 4.186 4.350 0.001 0.000 0.191 112 E C 2.097 178.783 176.600 0.143 0.000 0.987 112 E CA 0.442 56.970 56.400 0.212 0.000 0.814 112 E CB -0.061 29.721 29.700 0.137 0.000 0.772 112 E HN 0.296 nan 8.360 nan 0.000 0.453 113 R N 0.620 121.124 120.500 0.007 0.000 2.174 113 R HA -0.191 4.149 4.340 0.001 0.000 0.253 113 R C 2.277 178.496 176.300 -0.135 0.000 1.165 113 R CA 1.105 57.169 56.100 -0.060 0.000 0.984 113 R CB -0.720 29.510 30.300 -0.117 0.000 0.873 113 R HN 0.159 nan 8.270 nan 0.000 0.456 114 V N -1.162 118.543 119.914 -0.347 0.000 2.427 114 V HA -0.224 3.896 4.120 0.001 0.000 0.248 114 V C 1.930 177.886 176.094 -0.230 0.000 1.051 114 V CA 1.614 63.591 62.300 -0.537 0.000 1.048 114 V CB -0.543 30.613 31.823 -1.112 0.000 0.666 114 V HN 0.356 nan 8.190 nan 0.000 0.456 115 W N 0.256 121.564 121.300 0.013 0.000 2.379 115 W HA -0.147 4.514 4.660 0.001 0.000 0.307 115 W C 2.732 179.301 176.519 0.083 0.000 1.200 115 W CA 1.497 58.944 57.345 0.170 0.000 1.297 115 W CB -0.560 29.017 29.460 0.193 0.000 1.140 115 W HN 0.172 nan 8.180 nan 0.000 0.507 116 Q N -0.745 119.221 119.800 0.276 0.000 2.133 116 Q HA -0.302 4.038 4.340 0.001 0.000 0.208 116 Q C 2.121 178.194 176.000 0.121 0.000 0.991 116 Q CA 2.135 58.036 55.803 0.163 0.000 0.867 116 Q CB -0.936 27.878 28.738 0.127 0.000 0.911 116 Q HN 0.508 nan 8.270 nan 0.000 0.417 117 W N 1.424 122.695 121.300 -0.048 0.000 2.381 117 W HA -0.178 4.483 4.660 0.001 0.000 0.301 117 W C 1.727 178.206 176.519 -0.066 0.000 1.205 117 W CA 1.081 58.374 57.345 -0.088 0.000 1.285 117 W CB -0.132 29.223 29.460 -0.175 0.000 1.133 117 W HN 0.019 nan 8.180 nan 0.000 0.521 118 K N 1.157 121.544 120.400 -0.021 0.000 2.218 118 K HA -0.241 4.079 4.320 0.001 0.000 0.205 118 K C 1.601 178.079 176.600 -0.204 0.000 1.046 118 K CA 1.847 58.082 56.287 -0.087 0.000 0.933 118 K CB -0.154 32.370 32.500 0.039 0.000 0.728 118 K HN 0.149 nan 8.250 nan 0.000 0.454 119 E N 0.595 120.714 120.200 -0.135 0.000 2.033 119 E HA -0.052 4.299 4.350 0.001 0.000 0.189 119 E C 1.892 178.344 176.600 -0.246 0.000 0.979 119 E CA 1.012 57.326 56.400 -0.143 0.000 0.802 119 E CB 0.003 29.676 29.700 -0.046 0.000 0.763 119 E HN 0.309 nan 8.360 nan 0.000 0.449 120 E N -0.008 119.996 120.200 -0.327 0.000 2.021 120 E HA -0.231 4.119 4.350 0.001 0.000 0.200 120 E C 2.118 178.411 176.600 -0.512 0.000 1.015 120 E CA 1.491 57.650 56.400 -0.400 0.000 0.824 120 E CB -0.310 29.105 29.700 -0.476 0.000 0.762 120 E HN 0.110 nan 8.360 nan 0.000 0.454 121 S N -0.212 114.979 115.700 -0.848 0.000 2.353 121 S HA -0.131 4.339 4.470 0.001 0.000 0.222 121 S C 2.108 176.494 174.600 -0.358 0.000 1.035 121 S CA 1.594 59.390 58.200 -0.674 0.000 1.025 121 S CB -0.540 62.144 63.200 -0.860 0.000 0.902 121 S HN 0.390 nan 8.310 nan 0.000 0.440 122 G N -0.097 108.511 108.800 -0.321 0.000 2.448 122 G HA2 0.022 3.983 3.960 0.001 0.000 0.219 122 G HA3 0.022 3.983 3.960 0.001 0.000 0.219 122 G C 1.366 176.151 174.900 -0.191 0.000 1.127 122 G CA 0.892 45.862 45.100 -0.216 0.000 0.766 122 G HN 0.623 nan 8.290 nan 0.000 0.552 123 G N 0.221 108.895 108.800 -0.209 0.000 2.404 123 G HA2 -0.091 3.869 3.960 0.001 0.000 0.213 123 G HA3 -0.091 3.869 3.960 0.001 0.000 0.213 123 G C 1.810 176.613 174.900 -0.162 0.000 1.189 123 G CA 1.573 46.569 45.100 -0.173 0.000 0.796 123 G HN 0.327 nan 8.290 nan 0.000 0.532 124 T N 1.658 116.110 114.554 -0.171 0.000 2.665 124 T HA -0.117 4.233 4.350 0.001 0.000 0.268 124 T C 2.364 176.997 174.700 -0.111 0.000 1.035 124 T CA 1.137 63.158 62.100 -0.132 0.000 1.151 124 T CB -0.233 68.552 68.868 -0.140 0.000 0.862 124 T HN 0.211 nan 8.240 nan 0.000 0.438 125 I N 0.766 121.262 120.570 -0.124 0.000 2.194 125 I HA -0.201 3.970 4.170 0.001 0.000 0.246 125 I C 2.305 178.362 176.117 -0.100 0.000 1.093 125 I CA 1.347 62.588 61.300 -0.099 0.000 1.355 125 I CB -0.463 37.469 38.000 -0.112 0.000 1.046 125 I HN 0.248 nan 8.210 nan 0.000 0.413 126 L N 0.329 121.462 121.223 -0.150 0.000 2.046 126 L HA -0.226 4.115 4.340 0.001 0.000 0.208 126 L C 2.590 179.313 176.870 -0.245 0.000 1.077 126 L CA 1.542 56.228 54.840 -0.255 0.000 0.747 126 L CB -0.642 41.223 42.059 -0.323 0.000 0.896 126 L HN 0.214 nan 8.230 nan 0.000 0.432 127 K N 0.008 120.312 120.400 -0.160 0.000 1.978 127 K HA -0.240 4.081 4.320 0.001 0.000 0.214 127 K C 2.076 178.660 176.600 -0.027 0.000 1.049 127 K CA 1.702 57.932 56.287 -0.096 0.000 0.939 127 K CB -0.366 32.095 32.500 -0.064 0.000 0.721 127 K HN 0.332 nan 8.250 nan 0.000 0.441 128 Q N 0.715 120.510 119.800 -0.008 0.000 2.103 128 Q HA -0.255 4.086 4.340 0.001 0.000 0.213 128 Q C 2.270 178.329 176.000 0.098 0.000 1.008 128 Q CA 1.948 57.779 55.803 0.047 0.000 0.879 128 Q CB -0.577 28.185 28.738 0.039 0.000 0.946 128 Q HN 0.329 nan 8.270 nan 0.000 0.413 129 L N 0.375 121.649 121.223 0.085 0.000 2.083 129 L HA -0.185 4.156 4.340 0.001 0.000 0.209 129 L C 2.446 179.471 176.870 0.258 0.000 1.083 129 L CA 0.910 55.860 54.840 0.184 0.000 0.752 129 L CB -0.397 41.799 42.059 0.227 0.000 0.899 129 L HN 0.140 nan 8.230 nan 0.000 0.433 130 K N -0.022 120.461 120.400 0.139 0.000 2.001 130 K HA -0.159 4.161 4.320 0.001 0.000 0.208 130 K C 2.200 179.005 176.600 0.342 0.000 1.048 130 K CA 0.963 57.376 56.287 0.209 0.000 0.932 130 K CB -0.429 32.076 32.500 0.009 0.000 0.715 130 K HN 0.030 nan 8.250 nan 0.000 0.437 131 R N 1.829 122.485 120.500 0.261 0.000 2.159 131 R HA -0.013 4.327 4.340 0.001 0.000 0.237 131 R C 1.755 178.323 176.300 0.448 0.000 1.131 131 R CA 1.001 57.288 56.100 0.312 0.000 0.982 131 R CB -0.683 29.711 30.300 0.156 0.000 0.868 131 R HN 0.189 nan 8.270 nan 0.000 0.453 132 L N -0.411 121.048 121.223 0.394 0.000 2.627 132 L HA 0.251 4.591 4.340 0.001 0.000 0.232 132 L C 0.735 177.912 176.870 0.511 0.000 1.150 132 L CA 0.422 55.517 54.840 0.425 0.000 0.917 132 L CB -0.464 41.766 42.059 0.285 0.000 1.104 132 L HN 0.486 nan 8.230 nan 0.000 0.445 133 G N 1.123 110.260 108.800 0.561 0.000 2.256 133 G HA2 -0.241 3.720 3.960 0.001 0.000 0.272 133 G HA3 -0.241 3.720 3.960 0.001 0.000 0.272 133 G C 0.294 175.252 174.900 0.097 0.000 1.076 133 G CA 0.109 45.328 45.100 0.197 0.000 0.882 133 G HN 0.509 nan 8.290 nan 0.000 0.497 134 A N 0.639 123.633 122.820 0.291 0.000 2.395 134 A HA 0.660 4.980 4.320 0.001 0.000 0.286 134 A C 1.304 179.001 177.584 0.188 0.000 1.193 134 A CA 0.752 52.988 52.037 0.332 0.000 0.852 134 A CB 0.205 19.447 19.000 0.403 0.000 1.118 134 A HN 1.813 nan 8.150 nan 0.000 0.524 135 S N 2.302 117.996 115.700 -0.011 0.000 2.994 135 S HA 0.441 4.911 4.470 0.001 0.000 0.247 135 S C 0.546 175.025 174.600 -0.201 0.000 1.323 135 S CA 0.052 58.067 58.200 -0.309 0.000 1.246 135 S CB -0.491 62.224 63.200 -0.808 0.000 0.994 135 S HN 1.165 nan 8.310 nan 0.000 0.484 136 A N 1.263 123.785 122.820 -0.498 0.000 2.363 136 A HA 0.335 4.655 4.320 0.001 0.000 0.270 136 A C 0.511 177.436 177.584 -1.098 0.000 1.121 136 A CA -0.590 50.836 52.037 -1.019 0.000 0.800 136 A CB 0.180 17.928 19.000 -2.087 0.000 1.052 136 A HN 0.452 nan 8.150 nan 0.000 0.493 137 D N 2.722 122.777 120.400 -0.575 0.000 2.606 137 D HA -0.030 4.611 4.640 0.001 0.000 0.234 137 D C 0.329 176.470 176.300 -0.265 0.000 1.140 137 D CA -0.052 53.773 54.000 -0.291 0.000 1.182 137 D CB -0.347 40.367 40.800 -0.143 0.000 1.130 137 D HN 0.608 nan 8.370 nan 0.000 0.485 138 W N 1.296 122.607 121.300 0.018 0.000 2.560 138 W HA -0.172 4.489 4.660 0.001 0.000 0.252 138 W C 2.563 179.097 176.519 0.025 0.000 1.242 138 W CA 0.389 57.739 57.345 0.008 0.000 1.242 138 W CB -0.240 29.237 29.460 0.028 0.000 1.136 138 W HN 0.356 nan 8.180 nan 0.000 0.625 139 S N 1.041 116.849 115.700 0.181 0.000 2.428 139 S HA -0.070 4.401 4.470 0.001 0.000 0.230 139 S C 1.479 176.140 174.600 0.101 0.000 1.014 139 S CA 0.505 58.785 58.200 0.134 0.000 0.957 139 S CB -0.150 63.109 63.200 0.099 0.000 0.784 139 S HN 0.371 nan 8.310 nan 0.000 0.499 140 R N 1.334 121.877 120.500 0.071 0.000 2.552 140 R HA 0.327 4.667 4.340 0.001 0.000 0.314 140 R C -0.026 176.310 176.300 0.060 0.000 1.041 140 R CA -0.206 55.924 56.100 0.050 0.000 1.076 140 R CB 0.170 30.480 30.300 0.017 0.000 1.290 140 R HN 0.589 nan 8.270 nan 0.000 0.563 141 E N 1.756 122.033 120.200 0.129 0.000 2.529 141 E HA 0.108 4.458 4.350 0.001 0.000 0.259 141 E C -0.785 175.917 176.600 0.169 0.000 0.966 141 E CA -0.000 56.512 56.400 0.188 0.000 0.937 141 E CB 0.642 30.509 29.700 0.278 0.000 0.923 141 E HN 0.256 nan 8.360 nan 0.000 0.468 142 A N 4.179 127.123 122.820 0.206 0.000 2.346 142 A HA 0.695 5.015 4.320 0.001 0.000 0.313 142 A C -1.425 176.437 177.584 0.463 0.000 1.140 142 A CA -0.655 51.515 52.037 0.220 0.000 0.826 142 A CB 1.048 20.023 19.000 -0.041 0.000 1.332 142 A HN 0.575 nan 8.150 nan 0.000 0.457 143 F N 0.627 120.734 119.950 0.261 0.000 2.653 143 F HA 0.347 4.874 4.527 0.001 0.000 0.327 143 F C 1.364 177.321 175.800 0.263 0.000 1.195 143 F CA -0.112 58.051 58.000 0.271 0.000 0.993 143 F CB 1.200 40.316 39.000 0.193 0.000 1.259 143 F HN 0.752 nan 8.300 nan 0.000 0.478 144 T N 1.624 116.029 114.554 -0.248 0.000 2.755 144 T HA -0.269 4.082 4.350 0.001 0.000 0.266 144 T C 1.229 175.607 174.700 -0.536 0.000 1.041 144 T CA 1.899 63.834 62.100 -0.275 0.000 1.147 144 T CB -0.323 68.441 68.868 -0.174 0.000 0.847 144 T HN 0.632 nan 8.240 nan 0.000 0.478 145 M N 2.376 121.244 119.600 -1.219 0.000 2.869 145 M HA 0.255 4.735 4.480 0.001 0.000 0.338 145 M C -0.798 175.498 176.300 -0.007 0.000 1.227 145 M CA -0.572 54.370 55.300 -0.597 0.000 0.946 145 M CB 0.250 32.468 32.600 -0.636 0.000 1.299 145 M HN 0.375 nan 8.290 nan 0.000 0.518 146 D N -0.634 119.814 120.400 0.081 0.000 2.277 146 D HA 0.114 4.755 4.640 0.001 0.000 0.250 146 D C 1.128 177.471 176.300 0.072 0.000 1.032 146 D CA -0.448 53.703 54.000 0.253 0.000 0.947 146 D CB 0.710 41.704 40.800 0.322 0.000 1.159 146 D HN 0.121 nan 8.370 nan 0.000 0.460 147 E N 2.163 122.403 120.200 0.066 0.000 2.068 147 E HA -0.399 3.951 4.350 0.001 0.000 0.207 147 E C 1.421 178.021 176.600 0.001 0.000 1.032 147 E CA 1.634 58.044 56.400 0.016 0.000 0.839 147 E CB -0.631 29.081 29.700 0.020 0.000 0.758 147 E HN 0.706 nan 8.360 nan 0.000 0.457 148 K N 0.387 120.798 120.400 0.017 0.000 2.211 148 K HA -0.147 4.174 4.320 0.001 0.000 0.204 148 K C 2.241 178.834 176.600 -0.011 0.000 1.047 148 K CA 1.318 57.607 56.287 0.004 0.000 0.935 148 K CB 0.086 32.592 32.500 0.010 0.000 0.728 148 K HN -0.068 nan 8.250 nan 0.000 0.452 149 R N -0.587 119.902 120.500 -0.018 0.000 2.175 149 R HA 0.171 4.511 4.340 0.001 0.000 0.202 149 R C 2.023 178.261 176.300 -0.103 0.000 1.018 149 R CA 0.813 56.896 56.100 -0.027 0.000 1.029 149 R CB 0.063 30.369 30.300 0.010 0.000 0.959 149 R HN 0.027 nan 8.270 nan 0.000 0.480 150 S N 0.419 115.991 115.700 -0.213 0.000 2.419 150 S HA -0.071 4.399 4.470 0.001 0.000 0.233 150 S C 1.628 176.102 174.600 -0.211 0.000 1.016 150 S CA 0.985 58.927 58.200 -0.429 0.000 0.974 150 S CB -0.102 62.861 63.200 -0.395 0.000 0.786 150 S HN 0.281 nan 8.310 nan 0.000 0.492 151 R N 1.087 121.530 120.500 -0.095 0.000 2.119 151 R HA 0.132 4.472 4.340 0.001 0.000 0.222 151 R C 2.554 178.762 176.300 -0.152 0.000 1.088 151 R CA 0.955 57.025 56.100 -0.049 0.000 0.984 151 R CB -0.393 29.940 30.300 0.054 0.000 0.884 151 R HN 0.396 nan 8.270 nan 0.000 0.447 152 A N 1.278 124.064 122.820 -0.057 0.000 1.902 152 A HA -0.143 4.177 4.320 0.001 0.000 0.217 152 A C 2.364 180.022 177.584 0.123 0.000 1.181 152 A CA 1.786 53.884 52.037 0.102 0.000 0.623 152 A CB -0.657 18.451 19.000 0.180 0.000 0.818 152 A HN 0.241 nan 8.150 nan 0.000 0.443 153 V N -1.245 118.660 119.914 -0.015 0.000 2.255 153 V HA -0.194 3.927 4.120 0.001 0.000 0.243 153 V C 2.370 178.421 176.094 -0.071 0.000 1.038 153 V CA 2.130 64.371 62.300 -0.098 0.000 1.008 153 V CB -1.214 30.558 31.823 -0.085 0.000 0.645 153 V HN 0.569 nan 8.190 nan 0.000 0.449 154 R N -0.618 119.838 120.500 -0.074 0.000 2.119 154 R HA -0.272 4.069 4.340 0.001 0.000 0.246 154 R C 2.333 178.596 176.300 -0.061 0.000 1.146 154 R CA 2.554 58.663 56.100 0.014 0.000 0.962 154 R CB -0.806 29.528 30.300 0.057 0.000 0.863 154 R HN 0.764 nan 8.270 nan 0.000 0.442 155 Y N 0.232 120.214 120.300 -0.530 0.000 2.184 155 Y HA -0.038 4.513 4.550 0.001 0.000 0.290 155 Y C 2.187 177.897 175.900 -0.316 0.000 1.129 155 Y CA 1.432 59.079 58.100 -0.754 0.000 1.144 155 Y CB -0.491 37.118 38.460 -1.419 0.000 0.995 155 Y HN 0.189 nan 8.280 nan 0.000 0.513 156 A N 0.569 123.393 122.820 0.005 0.000 1.927 156 A HA -0.280 4.041 4.320 0.001 0.000 0.220 156 A C 2.161 179.894 177.584 0.249 0.000 1.185 156 A CA 1.971 54.074 52.037 0.110 0.000 0.639 156 A CB -1.625 17.528 19.000 0.255 0.000 0.820 156 A HN 0.679 nan 8.150 nan 0.000 0.451 157 F N 1.045 121.100 119.950 0.175 0.000 2.102 157 F HA -0.117 4.411 4.527 0.001 0.000 0.298 157 F C 2.733 178.670 175.800 0.227 0.000 1.105 157 F CA 1.581 59.792 58.000 0.352 0.000 1.239 157 F CB -0.897 38.248 39.000 0.241 0.000 0.991 157 F HN 0.263 nan 8.300 nan 0.000 0.474 158 S N 0.569 116.198 115.700 -0.119 0.000 2.359 158 S HA -0.269 4.202 4.470 0.001 0.000 0.223 158 S C 2.369 176.909 174.600 -0.100 0.000 1.039 158 S CA 1.720 59.800 58.200 -0.200 0.000 1.042 158 S CB -0.530 62.600 63.200 -0.117 0.000 0.915 158 S HN 0.515 nan 8.310 nan 0.000 0.439 159 R N -1.029 119.317 120.500 -0.258 0.000 2.127 159 R HA -0.091 4.250 4.340 0.001 0.000 0.238 159 R C 2.232 178.640 176.300 0.179 0.000 1.134 159 R CA 1.823 57.858 56.100 -0.109 0.000 0.975 159 R CB -0.529 29.625 30.300 -0.243 0.000 0.865 159 R HN 0.630 nan 8.270 nan 0.000 0.447 160 Y N -0.906 119.543 120.300 0.249 0.000 2.070 160 Y HA -0.353 4.197 4.550 0.001 0.000 0.279 160 Y C 2.376 178.338 175.900 0.103 0.000 1.134 160 Y CA 1.404 59.653 58.100 0.248 0.000 1.113 160 Y CB -0.510 38.144 38.460 0.323 0.000 0.981 160 Y HN 0.048 nan 8.280 nan 0.000 0.487 161 Y N 0.727 121.005 120.300 -0.036 0.000 1.993 161 Y HA -0.388 4.163 4.550 0.001 0.000 0.267 161 Y C 2.515 178.362 175.900 -0.089 0.000 1.155 161 Y CA 2.183 60.170 58.100 -0.189 0.000 1.105 161 Y CB -0.989 37.072 38.460 -0.665 0.000 0.960 161 Y HN 0.188 nan 8.280 nan 0.000 0.486 162 H N 0.016 119.267 119.070 0.302 0.000 2.566 162 H HA -0.087 4.470 4.556 0.001 0.000 0.285 162 H C 1.591 176.982 175.328 0.106 0.000 1.041 162 H CA 1.506 57.675 56.048 0.203 0.000 1.207 162 H CB -0.084 29.779 29.762 0.169 0.000 1.353 162 H HN 0.629 nan 8.280 nan 0.000 0.604 163 E N -1.088 119.231 120.200 0.198 0.000 2.473 163 E HA 0.124 4.474 4.350 0.001 0.000 0.204 163 E C 1.439 178.121 176.600 0.137 0.000 0.994 163 E CA 0.449 56.967 56.400 0.196 0.000 0.945 163 E CB 0.679 30.552 29.700 0.289 0.000 0.990 163 E HN 0.490 nan 8.360 nan 0.000 0.493 164 G N 0.849 109.687 108.800 0.064 0.000 2.475 164 G HA2 -0.339 3.621 3.960 0.001 0.000 0.209 164 G HA3 -0.339 3.621 3.960 0.001 0.000 0.209 164 G C 1.017 175.970 174.900 0.089 0.000 1.127 164 G CA 0.195 45.314 45.100 0.033 0.000 0.681 164 G HN 0.201 nan 8.290 nan 0.000 0.517 165 L N 1.370 122.666 121.223 0.122 0.000 2.211 165 L HA 0.125 4.465 4.340 0.001 0.000 0.216 165 L C 1.894 178.776 176.870 0.019 0.000 1.092 165 L CA 1.503 56.390 54.840 0.079 0.000 0.767 165 L CB -0.564 41.524 42.059 0.048 0.000 0.894 165 L HN 0.699 nan 8.230 nan 0.000 0.437 166 A N -0.680 122.192 122.820 0.087 0.000 2.258 166 A HA 0.546 4.867 4.320 0.001 0.000 0.316 166 A C -0.665 177.078 177.584 0.264 0.000 1.279 166 A CA -0.505 51.606 52.037 0.124 0.000 0.876 166 A CB 0.152 19.340 19.000 0.314 0.000 1.170 166 A HN 0.286 nan 8.150 nan 0.000 0.520 167 Y N 0.545 121.053 120.300 0.347 0.000 2.773 167 Y HA 0.886 5.436 4.550 0.001 0.000 0.323 167 Y C -0.218 175.836 175.900 0.256 0.000 1.183 167 Y CA -1.570 56.696 58.100 0.277 0.000 1.144 167 Y CB 1.195 39.703 38.460 0.081 0.000 1.340 167 Y HN 0.600 nan 8.280 nan 0.000 0.531 168 R N 1.229 121.919 120.500 0.316 0.000 2.538 168 R HA 0.830 5.171 4.340 0.001 0.000 0.292 168 R C -1.725 174.583 176.300 0.014 0.000 1.008 168 R CA -0.121 55.884 56.100 -0.159 0.000 0.896 168 R CB 1.716 31.458 30.300 -0.929 0.000 1.187 168 R HN 1.165 nan 8.270 nan 0.000 0.440 169 A N 4.123 126.980 122.820 0.063 0.000 3.201 169 A HA 0.711 5.032 4.320 0.001 0.000 0.303 169 A C -2.622 174.936 177.584 -0.044 0.000 1.173 169 A CA -0.827 51.180 52.037 -0.051 0.000 0.621 169 A CB 1.430 20.346 19.000 -0.140 0.000 1.468 169 A HN 0.620 nan 8.150 nan 0.000 0.632 170 P HA 0.259 nan 4.420 nan 0.000 0.325 170 P C -0.023 177.224 177.300 -0.088 0.000 1.658 170 P CA -0.421 62.667 63.100 -0.020 0.000 1.429 170 P CB 0.221 31.923 31.700 0.003 0.000 1.663 171 R N 0.636 120.928 120.500 -0.346 0.000 2.890 171 R HA 0.026 4.366 4.340 0.001 0.000 0.271 171 R C 0.019 176.132 176.300 -0.312 0.000 0.983 171 R CA 0.081 55.879 56.100 -0.503 0.000 1.145 171 R CB 0.039 29.531 30.300 -1.347 0.000 1.050 171 R HN 0.159 nan 8.270 nan 0.000 0.465 172 L N 3.474 124.437 121.223 -0.433 0.000 2.349 172 L HA 0.276 4.616 4.340 0.001 0.000 0.275 172 L C -0.559 176.393 176.870 0.137 0.000 1.115 172 L CA -0.502 54.150 54.840 -0.313 0.000 0.820 172 L CB 1.329 43.012 42.059 -0.627 0.000 1.135 172 L HN 0.530 nan 8.230 nan 0.000 0.445 173 V N 1.628 121.657 119.914 0.191 0.000 2.604 173 V HA 0.489 4.609 4.120 0.001 0.000 0.305 173 V C -0.491 175.651 176.094 0.079 0.000 1.043 173 V CA -1.167 61.289 62.300 0.260 0.000 0.888 173 V CB 1.786 33.822 31.823 0.354 0.000 0.995 173 V HN 0.730 nan 8.190 nan 0.000 0.429 174 N N 5.244 123.935 118.700 -0.014 0.000 2.420 174 N HA 0.185 4.925 4.740 0.001 0.000 0.262 174 N C -0.801 174.708 175.510 -0.002 0.000 1.144 174 N CA -0.098 52.810 53.050 -0.238 0.000 0.952 174 N CB 0.941 39.309 38.487 -0.198 0.000 1.081 174 N HN 1.025 nan 8.380 nan 0.000 0.480 175 W N 3.828 125.008 121.300 -0.200 0.000 2.656 175 W HA 0.391 5.052 4.660 0.001 0.000 0.327 175 W C -1.159 175.318 176.519 -0.070 0.000 1.041 175 W CA -1.190 56.103 57.345 -0.086 0.000 1.229 175 W CB 1.488 30.908 29.460 -0.067 0.000 1.397 175 W HN 0.391 nan 8.180 nan 0.000 0.479 176 C N 10.470 129.340 119.300 -0.716 0.000 2.239 176 C HA 0.369 4.829 4.460 0.001 0.000 0.325 176 C C -0.595 173.885 174.990 -0.849 0.000 1.231 176 C CA -2.206 56.468 59.018 -0.573 0.000 1.652 176 C CB 0.341 27.855 27.740 -0.377 0.000 2.284 176 C HN 0.524 nan 8.230 nan 0.000 0.499 177 P HA -0.047 nan 4.420 nan 0.000 0.242 177 P C 1.034 178.277 177.300 -0.096 0.000 1.197 177 P CA 0.695 63.779 63.100 -0.026 0.000 0.765 177 P CB 0.125 31.940 31.700 0.193 0.000 0.936 178 R N 0.756 121.143 120.500 -0.189 0.000 2.048 178 R HA 0.038 4.378 4.340 0.001 0.000 0.221 178 R C 1.824 178.007 176.300 -0.195 0.000 1.174 178 R CA 1.979 57.989 56.100 -0.149 0.000 0.971 178 R CB -1.328 28.890 30.300 -0.137 0.000 0.863 178 R HN 0.019 nan 8.270 nan 0.000 0.439 179 C N 1.410 120.548 119.300 -0.269 0.000 2.539 179 C HA 0.282 4.742 4.460 0.001 0.000 0.268 179 C C -0.298 174.482 174.990 -0.351 0.000 1.395 179 C CA -0.008 58.833 59.018 -0.296 0.000 1.757 179 C CB -1.380 26.201 27.740 -0.266 0.000 1.851 179 C HN 0.694 nan 8.230 nan 0.000 0.545 180 E N 0.981 120.897 120.200 -0.474 0.000 2.302 180 E HA -0.177 4.173 4.350 0.001 0.000 0.186 180 E C -0.053 176.144 176.600 -0.671 0.000 1.444 180 E CA 0.761 56.834 56.400 -0.546 0.000 0.671 180 E CB -1.424 28.271 29.700 -0.008 0.000 1.122 180 E HN 0.661 nan 8.360 nan 0.000 0.366 181 T N -0.896 112.954 114.554 -1.173 0.000 2.907 181 T HA 0.369 4.719 4.350 0.001 0.000 0.344 181 T C -0.521 173.961 174.700 -0.363 0.000 1.675 181 T CA -0.147 61.667 62.100 -0.476 0.000 1.076 181 T CB 1.581 70.322 68.868 -0.212 0.000 1.483 181 T HN 0.298 nan 8.240 nan 0.000 0.487 182 T N 2.297 116.895 114.554 0.073 0.000 2.904 182 T HA 0.721 5.072 4.350 0.001 0.000 0.290 182 T C -0.130 174.590 174.700 0.033 0.000 1.018 182 T CA -0.522 61.665 62.100 0.145 0.000 1.075 182 T CB 0.628 69.649 68.868 0.254 0.000 0.986 182 T HN 0.405 nan 8.240 nan 0.000 0.523 183 L N 1.075 122.316 121.223 0.029 0.000 2.211 183 L HA 0.792 5.132 4.340 0.001 0.000 0.259 183 L C 0.522 177.432 176.870 0.066 0.000 1.031 183 L CA -0.852 54.011 54.840 0.038 0.000 0.877 183 L CB 1.646 43.708 42.059 0.005 0.000 1.457 183 L HN 0.913 nan 8.230 nan 0.000 0.466 184 S N -1.611 114.143 115.700 0.089 0.000 2.726 184 S HA 0.365 4.836 4.470 0.001 0.000 0.308 184 S C 0.235 174.875 174.600 0.067 0.000 1.115 184 S CA -0.487 57.772 58.200 0.098 0.000 0.965 184 S CB 0.912 64.184 63.200 0.119 0.000 1.145 184 S HN 0.597 nan 8.310 nan 0.000 0.532 185 D N 1.344 121.790 120.400 0.077 0.000 2.108 185 D HA -0.108 4.533 4.640 0.001 0.000 0.190 185 D C 1.846 178.175 176.300 0.048 0.000 0.995 185 D CA 1.586 55.629 54.000 0.072 0.000 0.834 185 D CB -0.621 40.230 40.800 0.085 0.000 0.967 185 D HN 0.431 nan 8.370 nan 0.000 0.446 186 L N 0.616 121.854 121.223 0.024 0.000 2.450 186 L HA -0.129 4.211 4.340 0.001 0.000 0.225 186 L C 1.857 178.706 176.870 -0.034 0.000 1.145 186 L CA 1.238 56.069 54.840 -0.015 0.000 0.801 186 L CB -0.613 41.382 42.059 -0.106 0.000 0.924 186 L HN 0.024 nan 8.230 nan 0.000 0.447 187 E N -1.348 118.854 120.200 0.003 0.000 2.481 187 E HA 0.151 4.501 4.350 0.001 0.000 0.198 187 E C -0.289 176.331 176.600 0.034 0.000 1.027 187 E CA -0.170 56.251 56.400 0.035 0.000 0.900 187 E CB 0.820 30.570 29.700 0.082 0.000 0.993 187 E HN 0.136 nan 8.360 nan 0.000 0.482 188 V N 1.532 121.464 119.914 0.030 0.000 2.680 188 V HA 0.314 4.435 4.120 0.001 0.000 0.309 188 V C -1.550 174.567 176.094 0.039 0.000 1.052 188 V CA -0.717 61.600 62.300 0.028 0.000 0.908 188 V CB 1.810 33.646 31.823 0.022 0.000 1.001 188 V HN 0.174 nan 8.190 nan 0.000 0.431 189 E N 3.004 123.226 120.200 0.037 0.000 2.165 189 E HA 0.492 4.842 4.350 0.001 0.000 0.266 189 E C -0.867 175.761 176.600 0.048 0.000 0.889 189 E CA -0.656 55.769 56.400 0.042 0.000 0.756 189 E CB 1.654 31.374 29.700 0.034 0.000 1.131 189 E HN 0.668 nan 8.360 nan 0.000 0.411 190 T N 1.183 115.768 114.554 0.053 0.000 2.875 190 T HA 0.251 4.601 4.350 0.001 0.000 0.307 190 T C -0.393 174.331 174.700 0.039 0.000 1.013 190 T CA -0.920 61.214 62.100 0.056 0.000 0.970 190 T CB -0.071 68.835 68.868 0.064 0.000 0.986 190 T HN 0.569 nan 8.240 nan 0.000 0.536 191 E N 2.760 122.981 120.200 0.034 0.000 2.092 191 E HA 0.437 4.787 4.350 0.001 0.000 0.271 191 E C -2.865 173.741 176.600 0.010 0.000 0.919 191 E CA -2.688 53.725 56.400 0.021 0.000 0.760 191 E CB 0.575 30.288 29.700 0.021 0.000 1.106 191 E HN 0.262 nan 8.360 nan 0.000 0.408 192 P HA -0.119 nan 4.420 nan 0.000 0.257 192 P C -0.916 176.368 177.300 -0.027 0.000 1.153 192 P CA 0.686 63.769 63.100 -0.027 0.000 0.762 192 P CB 0.470 32.150 31.700 -0.034 0.000 0.743 193 T N 5.460 119.990 114.554 -0.039 0.000 2.912 193 T HA 0.450 4.800 4.350 0.001 0.000 0.299 193 T C -2.719 171.953 174.700 -0.047 0.000 1.052 193 T CA -1.665 60.418 62.100 -0.029 0.000 0.996 193 T CB 1.833 70.695 68.868 -0.009 0.000 1.070 193 T HN 0.198 nan 8.240 nan 0.000 0.465 194 P HA 0.412 nan 4.420 nan 0.000 0.271 194 P C -0.190 177.107 177.300 -0.004 0.000 1.220 194 P CA 0.162 63.247 63.100 -0.024 0.000 0.768 194 P CB 1.199 32.892 31.700 -0.011 0.000 0.848 195 G N 2.751 111.566 108.800 0.026 0.000 3.039 195 G HA2 0.524 4.484 3.960 0.001 0.000 0.202 195 G HA3 0.524 4.484 3.960 0.001 0.000 0.202 195 G C -1.227 173.759 174.900 0.144 0.000 1.151 195 G CA -0.405 44.737 45.100 0.070 0.000 0.836 195 G HN 0.354 nan 8.290 nan 0.000 0.598 196 K N 0.308 120.851 120.400 0.238 0.000 2.553 196 K HA 0.371 4.691 4.320 0.001 0.000 0.250 196 K C -1.724 175.131 176.600 0.426 0.000 0.953 196 K CA -0.400 56.060 56.287 0.288 0.000 0.800 196 K CB 2.368 35.065 32.500 0.328 0.000 1.243 196 K HN 0.365 nan 8.250 nan 0.000 0.435 197 L N 4.611 125.981 121.223 0.245 0.000 2.262 197 L HA 0.420 4.760 4.340 0.001 0.000 0.288 197 L C -0.960 176.022 176.870 0.187 0.000 1.035 197 L CA -0.736 54.218 54.840 0.190 0.000 0.820 197 L CB 0.319 42.279 42.059 -0.165 0.000 1.204 197 L HN 0.555 nan 8.230 nan 0.000 0.424 198 Y N 2.506 122.793 120.300 -0.021 0.000 2.334 198 Y HA 0.291 4.842 4.550 0.001 0.000 0.328 198 Y C 0.600 176.465 175.900 -0.059 0.000 1.130 198 Y CA -0.961 57.121 58.100 -0.029 0.000 1.163 198 Y CB 1.708 40.162 38.460 -0.010 0.000 1.207 198 Y HN 0.398 nan 8.280 nan 0.000 0.471 199 T N 5.301 119.893 114.554 0.064 0.000 2.756 199 T HA 0.359 4.710 4.350 0.001 0.000 0.290 199 T C -0.457 174.228 174.700 -0.024 0.000 0.985 199 T CA -0.594 61.503 62.100 -0.006 0.000 0.955 199 T CB 0.295 69.141 68.868 -0.037 0.000 0.930 199 T HN 0.209 nan 8.240 nan 0.000 0.451 200 L N 3.477 124.652 121.223 -0.081 0.000 2.334 200 L HA 0.690 5.030 4.340 0.001 0.000 0.270 200 L C 0.402 177.197 176.870 -0.126 0.000 1.018 200 L CA -0.650 54.111 54.840 -0.132 0.000 0.811 200 L CB 1.658 43.533 42.059 -0.307 0.000 1.271 200 L HN 0.594 nan 8.230 nan 0.000 0.443 201 R N 1.326 121.787 120.500 -0.065 0.000 2.626 201 R HA 0.582 4.922 4.340 0.001 0.000 0.274 201 R C -1.880 174.454 176.300 0.057 0.000 1.031 201 R CA -0.754 55.267 56.100 -0.132 0.000 0.898 201 R CB 2.687 32.787 30.300 -0.334 0.000 1.222 201 R HN 0.417 nan 8.270 nan 0.000 0.455 202 Y N 0.126 120.346 120.300 -0.134 0.000 2.638 202 Y HA 0.148 4.698 4.550 0.001 0.000 0.335 202 Y C -0.390 175.493 175.900 -0.028 0.000 1.155 202 Y CA -0.811 57.232 58.100 -0.094 0.000 1.046 202 Y CB 1.993 40.296 38.460 -0.261 0.000 1.303 202 Y HN 0.563 nan 8.280 nan 0.000 0.460 203 E N 1.602 121.589 120.200 -0.355 0.000 2.653 203 E HA 0.128 4.479 4.350 0.001 0.000 0.264 203 E C -1.212 175.394 176.600 0.009 0.000 0.949 203 E CA 0.408 56.737 56.400 -0.118 0.000 0.953 203 E CB 0.486 30.133 29.700 -0.089 0.000 0.925 203 E HN 0.376 nan 8.360 nan 0.000 0.475 204 V N 4.018 124.006 119.914 0.123 0.000 2.732 204 V HA 0.155 4.276 4.120 0.001 0.000 0.310 204 V C 0.185 176.515 176.094 0.393 0.000 1.053 204 V CA -0.640 61.781 62.300 0.201 0.000 0.957 204 V CB 1.763 33.684 31.823 0.164 0.000 1.018 204 V HN 0.705 nan 8.190 nan 0.000 0.452 205 E N 1.261 121.790 120.200 0.550 0.000 2.376 205 E HA 0.346 4.697 4.350 0.001 0.000 0.266 205 E C 1.217 177.921 176.600 0.172 0.000 1.009 205 E CA 1.052 57.700 56.400 0.413 0.000 0.902 205 E CB 0.643 30.475 29.700 0.220 0.000 0.972 205 E HN 0.948 nan 8.360 nan 0.000 0.439 206 G N 3.297 112.158 108.800 0.101 0.000 3.548 206 G HA2 -0.383 3.577 3.960 0.001 0.000 0.224 206 G HA3 -0.383 3.577 3.960 0.001 0.000 0.224 206 G C 0.729 175.664 174.900 0.058 0.000 1.351 206 G CA 0.288 45.418 45.100 0.050 0.000 0.905 206 G HN 0.793 nan 8.290 nan 0.000 0.561 207 G N -0.919 107.927 108.800 0.078 0.000 2.873 207 G HA2 0.550 4.510 3.960 0.001 0.000 0.170 207 G HA3 0.550 4.510 3.960 0.001 0.000 0.170 207 G C 1.116 176.058 174.900 0.071 0.000 1.608 207 G CA 1.404 46.542 45.100 0.063 0.000 1.084 207 G HN 1.770 nan 8.290 nan 0.000 0.563 208 G N -2.456 106.393 108.800 0.081 0.000 3.934 208 G HA2 0.346 4.306 3.960 0.001 0.000 0.212 208 G HA3 0.346 4.306 3.960 0.001 0.000 0.212 208 G C -0.784 174.221 174.900 0.175 0.000 1.126 208 G CA -0.036 45.099 45.100 0.059 0.000 0.877 208 G HN 0.295 nan 8.290 nan 0.000 0.556 209 F N 0.420 120.355 119.950 -0.025 0.000 2.608 209 F HA 0.828 5.355 4.527 0.001 0.000 0.309 209 F C -1.652 174.143 175.800 -0.009 0.000 1.103 209 F CA -2.218 55.758 58.000 -0.041 0.000 0.954 209 F CB 2.435 41.406 39.000 -0.048 0.000 1.267 209 F HN -0.077 nan 8.300 nan 0.000 0.444 210 I N 3.659 124.131 120.570 -0.163 0.000 2.710 210 I HA 0.328 4.499 4.170 0.001 0.000 0.290 210 I C -1.681 174.223 176.117 -0.355 0.000 1.318 210 I CA -0.460 60.742 61.300 -0.163 0.000 1.045 210 I CB 2.090 40.077 38.000 -0.022 0.000 1.307 210 I HN 0.635 nan 8.210 nan 0.000 0.424 211 E N 7.146 127.176 120.200 -0.283 0.000 2.222 211 E HA 0.747 5.098 4.350 0.001 0.000 0.267 211 E C -1.429 175.099 176.600 -0.120 0.000 0.884 211 E CA -0.880 55.352 56.400 -0.280 0.000 0.764 211 E CB 2.983 32.467 29.700 -0.361 0.000 1.169 211 E HN 0.359 nan 8.360 nan 0.000 0.413 212 I N 1.225 121.723 120.570 -0.120 0.000 2.730 212 I HA 0.490 4.661 4.170 0.001 0.000 0.298 212 I C -1.319 174.762 176.117 -0.060 0.000 1.089 212 I CA -0.754 60.495 61.300 -0.085 0.000 1.041 212 I CB 2.303 40.235 38.000 -0.114 0.000 1.235 212 I HN 0.790 nan 8.210 nan 0.000 0.423 213 A N 3.763 126.571 122.820 -0.020 0.000 2.316 213 A HA 0.730 5.051 4.320 0.001 0.000 0.324 213 A C -0.456 177.133 177.584 0.007 0.000 1.375 213 A CA -0.379 51.674 52.037 0.026 0.000 0.882 213 A CB 0.587 19.656 19.000 0.115 0.000 1.152 213 A HN 0.597 nan 8.150 nan 0.000 0.512 214 T N 1.579 116.131 114.554 -0.002 0.000 2.876 214 T HA 0.401 4.752 4.350 0.001 0.000 0.289 214 T C 0.933 175.639 174.700 0.011 0.000 1.014 214 T CA -0.343 61.740 62.100 -0.029 0.000 0.986 214 T CB 1.204 70.020 68.868 -0.087 0.000 1.021 214 T HN 0.380 nan 8.240 nan 0.000 0.458 215 V N 3.935 123.864 119.914 0.025 0.000 2.719 215 V HA 0.232 4.353 4.120 0.001 0.000 0.252 215 V C 1.427 177.480 176.094 -0.068 0.000 1.065 215 V CA 1.080 63.414 62.300 0.057 0.000 1.086 215 V CB -0.407 31.489 31.823 0.120 0.000 0.700 215 V HN 0.632 nan 8.190 nan 0.000 0.467 216 R N 0.076 120.527 120.500 -0.081 0.000 2.310 216 R HA 0.279 4.619 4.340 0.001 0.000 0.316 216 R C -2.077 174.154 176.300 -0.115 0.000 1.004 216 R CA -1.719 54.323 56.100 -0.097 0.000 0.900 216 R CB 1.950 32.229 30.300 -0.034 0.000 1.152 216 R HN 0.148 nan 8.270 nan 0.000 0.513 217 P HA -0.143 nan 4.420 nan 0.000 0.216 217 P C 0.266 177.596 177.300 0.050 0.000 1.153 217 P CA 1.117 64.185 63.100 -0.053 0.000 0.848 217 P CB 0.434 32.138 31.700 0.007 0.000 0.787 218 E N -0.620 119.635 120.200 0.090 0.000 2.130 218 E HA -0.180 4.170 4.350 0.001 0.000 0.196 218 E C 1.705 178.384 176.600 0.132 0.000 0.998 218 E CA 1.817 58.337 56.400 0.201 0.000 0.806 218 E CB -1.927 27.858 29.700 0.142 0.000 0.738 218 E HN 0.322 nan 8.360 nan 0.000 0.459 219 T N -0.926 113.619 114.554 -0.016 0.000 3.400 219 T HA 0.013 4.363 4.350 0.001 0.000 0.254 219 T C 1.537 176.192 174.700 -0.074 0.000 1.153 219 T CA 0.603 62.666 62.100 -0.062 0.000 1.012 219 T CB -0.676 68.138 68.868 -0.090 0.000 0.994 219 T HN 0.166 nan 8.240 nan 0.000 0.555 220 V N -2.211 117.585 119.914 -0.198 0.000 2.446 220 V HA 0.156 4.277 4.120 0.001 0.000 0.244 220 V C 2.149 178.059 176.094 -0.306 0.000 1.039 220 V CA 0.609 62.708 62.300 -0.334 0.000 1.045 220 V CB -1.428 30.078 31.823 -0.529 0.000 0.681 220 V HN 0.429 nan 8.190 nan 0.000 0.459 221 F N 2.232 122.191 119.950 0.015 0.000 2.287 221 F HA 0.091 4.618 4.527 0.001 0.000 0.301 221 F C 2.310 178.116 175.800 0.010 0.000 1.069 221 F CA 1.370 59.373 58.000 0.005 0.000 1.372 221 F CB -0.647 38.360 39.000 0.011 0.000 1.056 221 F HN 0.296 nan 8.300 nan 0.000 0.523 222 A N -0.845 122.072 122.820 0.161 0.000 2.462 222 A HA 0.149 4.469 4.320 0.001 0.000 0.261 222 A C -0.069 177.559 177.584 0.073 0.000 1.323 222 A CA -0.357 51.768 52.037 0.146 0.000 0.913 222 A CB -0.729 18.424 19.000 0.255 0.000 1.028 222 A HN -0.003 nan 8.150 nan 0.000 0.511 223 D N -0.086 120.319 120.400 0.009 0.000 2.339 223 D HA 0.364 5.005 4.640 0.001 0.000 0.245 223 D C 0.634 176.924 176.300 -0.017 0.000 1.115 223 D CA 0.166 54.149 54.000 -0.028 0.000 0.917 223 D CB 0.751 41.498 40.800 -0.088 0.000 1.192 223 D HN 0.076 nan 8.370 nan 0.000 0.428 224 Q N -0.581 119.205 119.800 -0.024 0.000 2.073 224 Q HA 0.510 4.851 4.340 0.001 0.000 0.215 224 Q C -0.726 175.254 176.000 -0.033 0.000 0.776 224 Q CA -0.200 55.592 55.803 -0.018 0.000 1.008 224 Q CB 1.406 30.138 28.738 -0.010 0.000 1.196 224 Q HN 0.511 nan 8.270 nan 0.000 0.458 225 A N 0.119 122.907 122.820 -0.053 0.000 2.481 225 A HA 0.580 4.900 4.320 0.001 0.000 0.295 225 A C -1.804 175.726 177.584 -0.090 0.000 0.986 225 A CA -0.593 51.402 52.037 -0.070 0.000 0.617 225 A CB 0.421 19.372 19.000 -0.082 0.000 1.364 225 A HN 0.006 nan 8.150 nan 0.000 0.452 226 I N 0.609 121.118 120.570 -0.103 0.000 2.466 226 I HA 0.646 4.816 4.170 0.001 0.000 0.289 226 I C 0.430 176.457 176.117 -0.149 0.000 1.026 226 I CA -0.274 60.954 61.300 -0.119 0.000 1.078 226 I CB 1.281 39.220 38.000 -0.102 0.000 1.249 226 I HN 1.047 nan 8.210 nan 0.000 0.429 227 A N 6.642 129.363 122.820 -0.165 0.000 2.317 227 A HA 0.836 5.157 4.320 0.001 0.000 0.327 227 A C -0.765 176.679 177.584 -0.234 0.000 1.178 227 A CA -0.460 51.465 52.037 -0.186 0.000 0.817 227 A CB 1.380 20.293 19.000 -0.145 0.000 1.189 227 A HN 0.428 nan 8.150 nan 0.000 0.489 228 V N 2.194 121.961 119.914 -0.246 0.000 2.709 228 V HA 0.249 4.369 4.120 0.001 0.000 0.308 228 V C -0.009 175.988 176.094 -0.162 0.000 1.062 228 V CA -0.665 61.450 62.300 -0.308 0.000 0.901 228 V CB 1.619 33.191 31.823 -0.418 0.000 1.003 228 V HN 1.100 nan 8.190 nan 0.000 0.425 229 H N 6.253 125.217 119.070 -0.176 0.000 3.058 229 H HA 0.034 4.590 4.556 0.001 0.000 0.347 229 H C -1.849 173.441 175.328 -0.064 0.000 1.087 229 H CA 0.110 56.104 56.048 -0.089 0.000 1.375 229 H CB 1.097 30.826 29.762 -0.055 0.000 1.312 229 H HN 0.367 nan 8.280 nan 0.000 0.607 230 P HA -0.110 nan 4.420 nan 0.000 0.217 230 P C 0.563 177.836 177.300 -0.045 0.000 1.151 230 P CA 1.309 64.258 63.100 -0.251 0.000 0.828 230 P CB 0.398 31.906 31.700 -0.321 0.000 0.788 231 E N -1.187 119.094 120.200 0.136 0.000 2.474 231 E HA 0.010 4.360 4.350 0.001 0.000 0.195 231 E C 0.050 176.760 176.600 0.183 0.000 1.039 231 E CA 0.234 56.747 56.400 0.188 0.000 0.881 231 E CB -0.545 29.279 29.700 0.207 0.000 0.970 231 E HN 0.210 nan 8.360 nan 0.000 0.486 232 D N 2.500 123.037 120.400 0.229 0.000 2.441 232 D HA -0.047 4.593 4.640 0.001 0.000 0.243 232 D C 0.989 177.384 176.300 0.158 0.000 1.257 232 D CA 0.059 54.158 54.000 0.166 0.000 1.027 232 D CB 0.137 41.046 40.800 0.182 0.000 1.084 232 D HN 0.122 nan 8.370 nan 0.000 0.514 233 E N 2.208 122.462 120.200 0.090 0.000 2.533 233 E HA -0.122 4.228 4.350 0.001 0.000 0.201 233 E C 1.034 177.634 176.600 -0.000 0.000 1.097 233 E CA 0.145 56.570 56.400 0.042 0.000 0.887 233 E CB 0.005 29.707 29.700 0.003 0.000 0.855 233 E HN 0.443 nan 8.360 nan 0.000 0.540 234 R N -0.345 120.183 120.500 0.047 0.000 2.236 234 R HA -0.028 4.312 4.340 0.001 0.000 0.208 234 R C 0.561 176.735 176.300 -0.210 0.000 1.036 234 R CA 0.864 56.914 56.100 -0.083 0.000 1.001 234 R CB -0.009 30.249 30.300 -0.069 0.000 0.896 234 R HN 0.292 nan 8.270 nan 0.000 0.464 235 Y N 0.434 120.707 120.300 -0.044 0.000 2.467 235 Y HA 0.131 4.681 4.550 0.001 0.000 0.250 235 Y C 1.875 177.763 175.900 -0.020 0.000 1.155 235 Y CA -0.480 57.604 58.100 -0.025 0.000 1.249 235 Y CB 0.095 38.547 38.460 -0.013 0.000 1.146 235 Y HN -0.019 nan 8.280 nan 0.000 0.524 236 R N -0.321 120.210 120.500 0.053 0.000 2.204 236 R HA -0.252 4.088 4.340 0.001 0.000 0.253 236 R C 0.443 176.819 176.300 0.127 0.000 1.172 236 R CA 2.211 58.329 56.100 0.030 0.000 0.994 236 R CB -0.760 29.497 30.300 -0.071 0.000 0.874 236 R HN 0.314 nan 8.270 nan 0.000 0.462 237 H N -0.468 118.627 119.070 0.041 0.000 2.551 237 H HA 0.267 4.824 4.556 0.001 0.000 0.271 237 H C 1.367 176.725 175.328 0.050 0.000 0.984 237 H CA 0.188 56.255 56.048 0.032 0.000 1.164 237 H CB 0.498 30.268 29.762 0.013 0.000 1.437 237 H HN 0.210 nan 8.280 nan 0.000 0.550 238 L N -0.231 121.106 121.223 0.189 0.000 2.672 238 L HA 0.118 4.458 4.340 0.001 0.000 0.236 238 L C 0.079 177.036 176.870 0.145 0.000 1.092 238 L CA -0.232 54.711 54.840 0.171 0.000 0.887 238 L CB 0.658 42.849 42.059 0.219 0.000 1.168 238 L HN 0.045 nan 8.230 nan 0.000 0.502 239 L N 1.454 122.758 121.223 0.135 0.000 2.562 239 L HA 0.281 4.621 4.340 0.001 0.000 0.271 239 L C 1.057 177.961 176.870 0.056 0.000 1.167 239 L CA 1.141 56.028 54.840 0.078 0.000 0.917 239 L CB 0.013 42.112 42.059 0.066 0.000 1.187 239 L HN 0.308 nan 8.230 nan 0.000 0.482 240 G N 2.473 111.292 108.800 0.031 0.000 2.141 240 G HA2 -0.284 3.676 3.960 0.001 0.000 0.231 240 G HA3 -0.284 3.676 3.960 0.001 0.000 0.231 240 G C 0.790 175.717 174.900 0.046 0.000 0.984 240 G CA 0.446 45.561 45.100 0.026 0.000 0.660 240 G HN 0.619 nan 8.290 nan 0.000 0.525 241 K N -0.447 119.994 120.400 0.068 0.000 3.736 241 K HA 0.758 5.078 4.320 0.001 0.000 0.223 241 K C 1.574 178.248 176.600 0.124 0.000 1.121 241 K CA 0.096 56.440 56.287 0.095 0.000 1.731 241 K CB 0.083 32.650 32.500 0.113 0.000 2.462 241 K HN 0.183 nan 8.250 nan 0.000 0.657 242 R N -1.744 118.865 120.500 0.182 0.000 3.515 242 R HA 0.764 5.104 4.340 0.001 0.000 0.239 242 R C -1.405 174.986 176.300 0.153 0.000 1.336 242 R CA -0.538 55.713 56.100 0.252 0.000 0.959 242 R CB 0.691 31.311 30.300 0.534 0.000 1.524 242 R HN 0.465 nan 8.270 nan 0.000 0.466 243 A N 1.350 124.206 122.820 0.061 0.000 1.346 243 A HA 0.154 4.475 4.320 0.001 0.000 0.225 243 A C -0.803 176.316 177.584 -0.775 0.000 0.958 243 A CA -0.616 51.251 52.037 -0.284 0.000 0.740 243 A CB 0.277 19.197 19.000 -0.133 0.000 0.733 243 A HN 0.488 nan 8.150 nan 0.000 0.326 244 R N 2.741 122.365 120.500 -1.460 0.000 2.623 244 R HA 0.445 4.786 4.340 0.001 0.000 0.271 244 R C 0.308 176.173 176.300 -0.724 0.000 1.043 244 R CA 0.149 55.339 56.100 -1.517 0.000 1.083 244 R CB 0.334 30.023 30.300 -1.018 0.000 0.974 244 R HN 1.053 nan 8.270 nan 0.000 0.436 245 I N 2.597 122.791 120.570 -0.628 0.000 2.428 245 I HA 0.451 4.621 4.170 0.001 0.000 0.296 245 I C -2.363 173.279 176.117 -0.792 0.000 0.985 245 I CA -3.026 57.941 61.300 -0.555 0.000 1.260 245 I CB 1.762 39.552 38.000 -0.350 0.000 1.389 245 I HN 0.484 nan 8.210 nan 0.000 0.484 246 P HA -0.081 nan 4.420 nan 0.000 0.259 246 P C 0.260 177.396 177.300 -0.275 0.000 1.155 246 P CA 0.328 62.896 63.100 -0.886 0.000 0.759 246 P CB 0.143 31.640 31.700 -0.339 0.000 0.753 247 L N -1.003 120.107 121.223 -0.188 0.000 5.134 247 L HA -0.253 4.088 4.340 0.001 0.000 0.407 247 L C 0.966 177.854 176.870 0.030 0.000 0.869 247 L CA 1.910 56.793 54.840 0.071 0.000 1.827 247 L CB -2.852 39.368 42.059 0.270 0.000 1.501 247 L HN 0.443 nan 8.230 nan 0.000 0.610 248 T N -1.197 113.311 114.554 -0.077 0.000 2.867 248 T HA 0.422 4.772 4.350 0.001 0.000 0.286 248 T C 0.828 175.507 174.700 -0.035 0.000 1.022 248 T CA 0.392 62.476 62.100 -0.026 0.000 0.933 248 T CB 2.065 70.909 68.868 -0.041 0.000 1.280 248 T HN 0.212 nan 8.240 nan 0.000 0.566 249 E N -0.169 120.057 120.200 0.044 0.000 2.789 249 E HA 0.315 4.665 4.350 0.001 0.000 0.217 249 E C -0.943 175.823 176.600 0.277 0.000 0.970 249 E CA -0.077 56.438 56.400 0.192 0.000 1.201 249 E CB 0.390 30.203 29.700 0.189 0.000 1.069 249 E HN 0.326 nan 8.360 nan 0.000 0.499 250 V N 1.607 121.564 119.914 0.071 0.000 2.461 250 V HA 0.224 4.344 4.120 0.001 0.000 0.275 250 V C -0.557 175.505 176.094 -0.054 0.000 1.047 250 V CA -0.231 62.126 62.300 0.095 0.000 0.955 250 V CB 0.530 32.368 31.823 0.025 0.000 0.988 250 V HN 0.212 nan 8.190 nan 0.000 0.471 251 W N 5.601 126.904 121.300 0.006 0.000 2.299 251 W HA 0.601 5.261 4.660 0.001 0.000 0.319 251 W C -0.306 176.212 176.519 -0.000 0.000 1.008 251 W CA -0.750 56.600 57.345 0.008 0.000 1.384 251 W CB 0.708 30.177 29.460 0.016 0.000 1.220 251 W HN 0.309 nan 8.180 nan 0.000 0.402 252 I N 7.007 127.602 120.570 0.041 0.000 2.638 252 I HA 0.239 4.409 4.170 0.001 0.000 0.286 252 I C -1.475 174.669 176.117 0.045 0.000 1.088 252 I CA -2.381 58.929 61.300 0.016 0.000 1.397 252 I CB 0.455 38.419 38.000 -0.059 0.000 1.414 252 I HN 0.105 nan 8.210 nan 0.000 0.566 253 P HA 0.364 nan 4.420 nan 0.000 0.287 253 P C -0.876 176.411 177.300 -0.022 0.000 1.270 253 P CA -0.386 62.725 63.100 0.019 0.000 0.844 253 P CB 1.280 32.982 31.700 0.005 0.000 1.068 254 I N 2.919 123.480 120.570 -0.015 0.000 2.347 254 I HA 0.187 4.357 4.170 0.001 0.000 0.283 254 I C 0.313 176.382 176.117 -0.081 0.000 1.058 254 I CA -0.779 60.495 61.300 -0.043 0.000 1.202 254 I CB 0.450 38.453 38.000 0.006 0.000 1.386 254 I HN 0.192 nan 8.210 nan 0.000 0.475 255 L N 4.429 125.561 121.223 -0.153 0.000 2.331 255 L HA 0.993 5.333 4.340 0.001 0.000 0.268 255 L C 0.215 176.935 176.870 -0.251 0.000 1.015 255 L CA -0.491 54.210 54.840 -0.231 0.000 0.807 255 L CB 0.653 42.474 42.059 -0.397 0.000 1.293 255 L HN 0.404 nan 8.230 nan 0.000 0.451 256 A N -0.149 122.522 122.820 -0.248 0.000 2.240 256 A HA 0.721 5.042 4.320 0.001 0.000 0.292 256 A C -0.584 176.878 177.584 -0.203 0.000 1.121 256 A CA 0.099 52.022 52.037 -0.190 0.000 0.851 256 A CB 0.289 19.216 19.000 -0.121 0.000 1.167 256 A HN 0.920 nan 8.150 nan 0.000 0.503 257 D N -1.775 118.552 120.400 -0.122 0.000 2.245 257 D HA 0.077 4.717 4.640 0.001 0.000 0.125 257 D C -2.637 173.602 176.300 -0.100 0.000 0.978 257 D CA -0.515 53.478 54.000 -0.011 0.000 1.182 257 D CB 0.469 41.292 40.800 0.038 0.000 3.586 257 D HN 0.020 nan 8.370 nan 0.000 0.632 258 P HA -0.077 nan 4.420 nan 0.000 0.221 258 P C 0.973 178.270 177.300 -0.005 0.000 1.141 258 P CA 1.537 64.562 63.100 -0.125 0.000 0.794 258 P CB 0.284 31.939 31.700 -0.074 0.000 0.764 259 A N -1.345 121.473 122.820 -0.005 0.000 2.238 259 A HA 0.066 4.386 4.320 0.001 0.000 0.208 259 A C 0.803 178.394 177.584 0.011 0.000 1.177 259 A CA 0.254 52.296 52.037 0.008 0.000 0.804 259 A CB -0.615 18.379 19.000 -0.010 0.000 0.823 259 A HN 0.011 nan 8.150 nan 0.000 0.482 260 V N 1.602 121.534 119.914 0.030 0.000 2.488 260 V HA 0.155 4.275 4.120 0.001 0.000 0.277 260 V C 0.153 176.300 176.094 0.088 0.000 1.046 260 V CA -0.443 61.868 62.300 0.018 0.000 0.986 260 V CB 1.148 32.960 31.823 -0.018 0.000 0.989 260 V HN 0.338 nan 8.190 nan 0.000 0.475 261 E N 5.230 125.444 120.200 0.022 0.000 2.044 261 E HA 0.146 4.496 4.350 0.001 0.000 0.282 261 E C 1.184 177.805 176.600 0.036 0.000 1.031 261 E CA -0.342 56.079 56.400 0.035 0.000 0.824 261 E CB 1.096 30.830 29.700 0.058 0.000 1.076 261 E HN 0.759 nan 8.360 nan 0.000 0.395 262 K N 3.219 123.601 120.400 -0.031 0.000 2.113 262 K HA -0.189 4.131 4.320 0.001 0.000 0.208 262 K C 0.354 176.972 176.600 0.030 0.000 1.047 262 K CA 1.388 57.664 56.287 -0.017 0.000 0.928 262 K CB 0.156 32.596 32.500 -0.099 0.000 0.716 262 K HN 0.227 nan 8.250 nan 0.000 0.446 263 D N 0.158 120.571 120.400 0.021 0.000 2.317 263 D HA -0.007 4.634 4.640 0.001 0.000 0.211 263 D C 0.325 176.658 176.300 0.056 0.000 0.966 263 D CA 0.303 54.319 54.000 0.026 0.000 0.876 263 D CB -0.093 40.707 40.800 0.000 0.000 0.927 263 D HN 0.160 nan 8.370 nan 0.000 0.519 264 F N 1.020 120.949 119.950 -0.035 0.000 2.382 264 F HA 0.342 4.870 4.527 0.001 0.000 0.331 264 F C 1.725 177.493 175.800 -0.054 0.000 1.121 264 F CA 0.249 58.224 58.000 -0.041 0.000 1.183 264 F CB 0.793 39.773 39.000 -0.034 0.000 1.207 264 F HN 0.141 nan 8.300 nan 0.000 0.555 265 G N 2.668 111.420 108.800 -0.080 0.000 2.667 265 G HA2 -0.371 3.589 3.960 0.001 0.000 0.379 265 G HA3 -0.371 3.589 3.960 0.001 0.000 0.379 265 G C 0.086 175.018 174.900 0.054 0.000 1.236 265 G CA 0.805 45.923 45.100 0.031 0.000 0.946 265 G HN 1.151 nan 8.290 nan 0.000 0.573 266 T N -2.087 112.522 114.554 0.091 0.000 2.918 266 T HA 0.553 4.904 4.350 0.001 0.000 0.283 266 T C 1.513 176.301 174.700 0.146 0.000 1.001 266 T CA 0.614 62.779 62.100 0.109 0.000 1.041 266 T CB 1.580 70.507 68.868 0.097 0.000 1.028 266 T HN 1.635 nan 8.240 nan 0.000 0.511 267 G N 0.287 109.235 108.800 0.248 0.000 2.843 267 G HA2 0.398 4.359 3.960 0.001 0.000 0.205 267 G HA3 0.398 4.359 3.960 0.001 0.000 0.205 267 G C 0.376 175.133 174.900 -0.237 0.000 1.160 267 G CA 0.110 45.275 45.100 0.107 0.000 0.819 267 G HN 1.237 nan 8.290 nan 0.000 0.516 268 A N -0.355 122.339 122.820 -0.209 0.000 2.515 268 A HA 0.759 5.079 4.320 0.001 0.000 0.298 268 A C -0.701 176.790 177.584 -0.156 0.000 1.059 268 A CA -0.838 51.014 52.037 -0.310 0.000 0.698 268 A CB 1.433 20.127 19.000 -0.510 0.000 1.289 268 A HN 0.743 nan 8.150 nan 0.000 0.404 269 L N -0.280 120.844 121.223 -0.164 0.000 2.323 269 L HA 0.773 5.114 4.340 0.001 0.000 0.265 269 L C 0.014 176.804 176.870 -0.134 0.000 1.012 269 L CA -0.934 53.822 54.840 -0.141 0.000 0.820 269 L CB 1.562 43.526 42.059 -0.158 0.000 1.334 269 L HN 0.770 nan 8.230 nan 0.000 0.427 270 K N 1.568 121.893 120.400 -0.125 0.000 2.219 270 K HA 0.499 4.819 4.320 0.001 0.000 0.258 270 K C -1.351 175.189 176.600 -0.100 0.000 1.008 270 K CA -0.449 55.767 56.287 -0.117 0.000 0.928 270 K CB 1.497 33.922 32.500 -0.125 0.000 0.983 270 K HN 0.600 nan 8.250 nan 0.000 0.484 271 V N 2.680 122.544 119.914 -0.082 0.000 2.409 271 V HA 0.229 4.349 4.120 0.001 0.000 0.290 271 V C -0.843 175.233 176.094 -0.030 0.000 1.017 271 V CA -0.727 61.538 62.300 -0.058 0.000 0.841 271 V CB 1.638 33.426 31.823 -0.058 0.000 1.003 271 V HN 0.929 nan 8.190 nan 0.000 0.426 272 T N 6.122 120.673 114.554 -0.005 0.000 3.401 272 T HA 0.245 4.595 4.350 0.001 0.000 0.341 272 T C -1.988 172.755 174.700 0.073 0.000 1.674 272 T CA -1.062 61.063 62.100 0.043 0.000 1.600 272 T CB 1.334 70.243 68.868 0.069 0.000 0.974 272 T HN 0.349 nan 8.240 nan 0.000 0.672 273 P HA -0.180 nan 4.420 nan 0.000 0.218 273 P C 1.436 178.880 177.300 0.239 0.000 1.152 273 P CA 0.928 64.136 63.100 0.179 0.000 0.857 273 P CB 0.127 31.867 31.700 0.067 0.000 0.787 274 A N -2.148 120.713 122.820 0.068 0.000 2.239 274 A HA -0.112 4.208 4.320 0.001 0.000 0.209 274 A C 1.146 178.473 177.584 -0.428 0.000 1.171 274 A CA 1.121 53.069 52.037 -0.149 0.000 0.768 274 A CB -0.950 17.912 19.000 -0.229 0.000 0.790 274 A HN 0.295 nan 8.150 nan 0.000 0.478 275 H N -1.632 117.457 119.070 0.032 0.000 3.480 275 H HA 0.174 4.731 4.556 0.001 0.000 0.257 275 H C -1.000 174.226 175.328 -0.171 0.000 1.196 275 H CA 0.089 56.136 56.048 -0.001 0.000 1.100 275 H CB 0.842 30.610 29.762 0.011 0.000 1.683 275 H HN 0.599 nan 8.280 nan 0.000 0.702 276 D N 0.751 121.070 120.400 -0.136 0.000 2.836 276 D HA 0.047 4.687 4.640 0.001 0.000 0.215 276 D C -2.403 173.786 176.300 -0.185 0.000 1.255 276 D CA -1.355 52.402 54.000 -0.406 0.000 0.822 276 D CB 3.244 43.884 40.800 -0.266 0.000 1.656 276 D HN -0.137 nan 8.370 nan 0.000 0.511 277 P HA -0.117 nan 4.420 nan 0.000 0.218 277 P C 1.603 178.937 177.300 0.057 0.000 1.148 277 P CA 0.429 63.553 63.100 0.040 0.000 0.822 277 P CB 0.592 32.365 31.700 0.122 0.000 0.784 278 L N 0.730 121.945 121.223 -0.012 0.000 2.068 278 L HA -0.028 4.313 4.340 0.001 0.000 0.204 278 L C 1.759 178.631 176.870 0.003 0.000 1.076 278 L CA 2.075 56.910 54.840 -0.008 0.000 0.753 278 L CB -1.462 40.569 42.059 -0.047 0.000 0.910 278 L HN -0.232 nan 8.230 nan 0.000 0.439 279 D N -1.331 119.066 120.400 -0.004 0.000 2.144 279 D HA -0.235 4.405 4.640 0.001 0.000 0.200 279 D C 2.028 178.357 176.300 0.049 0.000 0.978 279 D CA 1.457 55.461 54.000 0.006 0.000 0.833 279 D CB -0.362 40.437 40.800 -0.002 0.000 0.961 279 D HN 0.417 nan 8.370 nan 0.000 0.470 280 Y N 1.845 122.118 120.300 -0.046 0.000 2.128 280 Y HA -0.210 4.340 4.550 0.001 0.000 0.284 280 Y C 2.396 178.274 175.900 -0.036 0.000 1.154 280 Y CA 1.874 59.953 58.100 -0.036 0.000 1.149 280 Y CB -0.160 38.286 38.460 -0.023 0.000 0.976 280 Y HN -0.048 nan 8.280 nan 0.000 0.505 281 E N 0.263 120.514 120.200 0.086 0.000 2.005 281 E HA -0.260 4.091 4.350 0.001 0.000 0.198 281 E C 2.282 178.842 176.600 -0.067 0.000 1.010 281 E CA 2.414 58.812 56.400 -0.003 0.000 0.825 281 E CB -0.490 29.227 29.700 0.028 0.000 0.769 281 E HN 0.620 nan 8.360 nan 0.000 0.456 282 I N -1.273 119.281 120.570 -0.028 0.000 2.194 282 I HA -0.175 3.995 4.170 0.001 0.000 0.246 282 I C 2.357 178.478 176.117 0.007 0.000 1.093 282 I CA 1.730 63.031 61.300 0.002 0.000 1.355 282 I CB -1.261 36.752 38.000 0.021 0.000 1.046 282 I HN 0.175 nan 8.210 nan 0.000 0.413 283 G N 1.985 110.755 108.800 -0.051 0.000 2.545 283 G HA2 -0.232 3.729 3.960 0.001 0.000 0.217 283 G HA3 -0.232 3.729 3.960 0.001 0.000 0.217 283 G C 1.248 176.060 174.900 -0.147 0.000 1.218 283 G CA 0.906 45.954 45.100 -0.087 0.000 0.787 283 G HN 0.539 nan 8.290 nan 0.000 0.571 284 E N 0.659 120.690 120.200 -0.280 0.000 2.335 284 E HA 0.079 4.429 4.350 0.001 0.000 0.191 284 E C 1.729 178.194 176.600 -0.225 0.000 1.150 284 E CA 0.117 56.343 56.400 -0.291 0.000 1.001 284 E CB 0.059 29.500 29.700 -0.432 0.000 1.127 284 E HN 0.505 nan 8.360 nan 0.000 0.462 285 R N -0.383 119.987 120.500 -0.218 0.000 2.373 285 R HA 0.159 4.500 4.340 0.001 0.000 0.221 285 R C 0.698 176.648 176.300 -0.583 0.000 0.893 285 R CA 0.150 56.040 56.100 -0.350 0.000 1.049 285 R CB 0.637 30.727 30.300 -0.349 0.000 1.119 285 R HN 0.167 nan 8.270 nan 0.000 0.535 286 H N -0.519 118.492 119.070 -0.098 0.000 2.777 286 H HA 0.176 4.732 4.556 0.001 0.000 0.244 286 H C 0.136 175.414 175.328 -0.084 0.000 1.185 286 H CA 0.073 56.073 56.048 -0.081 0.000 0.945 286 H CB 1.042 30.760 29.762 -0.074 0.000 1.994 286 H HN 0.284 nan 8.280 nan 0.000 0.638 287 G N 2.373 111.138 108.800 -0.057 0.000 2.172 287 G HA2 -0.260 3.701 3.960 0.001 0.000 0.244 287 G HA3 -0.260 3.701 3.960 0.001 0.000 0.244 287 G C -0.150 174.722 174.900 -0.046 0.000 0.743 287 G CA 0.207 45.265 45.100 -0.071 0.000 1.146 287 G HN 0.334 nan 8.290 nan 0.000 0.327 288 L N 1.578 122.761 121.223 -0.067 0.000 2.313 288 L HA 0.458 4.798 4.340 0.001 0.000 0.283 288 L C 0.136 176.964 176.870 -0.069 0.000 1.013 288 L CA -1.336 53.475 54.840 -0.049 0.000 0.816 288 L CB 1.746 43.782 42.059 -0.038 0.000 1.236 288 L HN 0.137 nan 8.230 nan 0.000 0.419 289 K N 3.503 123.877 120.400 -0.042 0.000 2.379 289 K HA 0.289 4.610 4.320 0.001 0.000 0.284 289 K C -2.340 174.248 176.600 -0.020 0.000 1.044 289 K CA -1.287 54.977 56.287 -0.037 0.000 0.974 289 K CB -0.038 32.450 32.500 -0.021 0.000 0.962 289 K HN 0.190 nan 8.250 nan 0.000 0.474 290 P HA 0.045 nan 4.420 nan 0.000 0.269 290 P C -1.092 176.216 177.300 0.012 0.000 1.217 290 P CA -0.426 62.690 63.100 0.026 0.000 0.783 290 P CB 0.661 32.413 31.700 0.086 0.000 0.898 291 V N 0.913 120.832 119.914 0.008 0.000 2.775 291 V HA 0.458 4.578 4.120 0.001 0.000 0.295 291 V C -0.816 175.290 176.094 0.021 0.000 1.226 291 V CA -0.290 62.018 62.300 0.014 0.000 0.934 291 V CB 1.561 33.406 31.823 0.036 0.000 1.056 291 V HN 0.662 nan 8.190 nan 0.000 0.436 292 S N 4.961 120.662 115.700 0.001 0.000 2.617 292 S HA 0.743 5.214 4.470 0.001 0.000 0.283 292 S C 0.559 175.289 174.600 0.217 0.000 1.189 292 S CA 0.092 58.333 58.200 0.069 0.000 1.036 292 S CB 1.749 64.900 63.200 -0.082 0.000 1.014 292 S HN 2.024 nan 8.310 nan 0.000 0.522 293 V N 0.106 120.282 119.914 0.436 0.000 3.548 293 V HA 0.471 4.592 4.120 0.001 0.000 0.279 293 V C 0.291 176.446 176.094 0.101 0.000 1.446 293 V CA 0.132 62.542 62.300 0.184 0.000 1.023 293 V CB -0.970 30.949 31.823 0.160 0.000 0.820 293 V HN 0.904 nan 8.190 nan 0.000 0.438 294 I N 0.575 121.254 120.570 0.183 0.000 2.533 294 I HA 0.746 4.917 4.170 0.001 0.000 0.290 294 I C -0.725 175.444 176.117 0.087 0.000 1.056 294 I CA -0.823 60.527 61.300 0.084 0.000 1.057 294 I CB 2.102 40.102 38.000 -0.001 0.000 1.240 294 I HN 0.224 nan 8.210 nan 0.000 0.423 295 N N 5.992 124.682 118.700 -0.017 0.000 2.413 295 N HA 0.325 5.066 4.740 0.001 0.000 0.266 295 N C 0.481 175.898 175.510 -0.155 0.000 1.238 295 N CA -0.826 52.163 53.050 -0.102 0.000 0.972 295 N CB 0.751 39.178 38.487 -0.101 0.000 1.210 295 N HN 0.842 nan 8.380 nan 0.000 0.547 296 L N -1.155 119.880 121.223 -0.312 0.000 2.349 296 L HA -0.110 4.231 4.340 0.001 0.000 0.220 296 L C 0.993 177.824 176.870 -0.066 0.000 1.130 296 L CA 1.344 55.912 54.840 -0.453 0.000 0.791 296 L CB -0.492 41.051 42.059 -0.861 0.000 0.918 296 L HN 0.604 nan 8.230 nan 0.000 0.444 297 E N 0.077 120.256 120.200 -0.035 0.000 2.502 297 E HA 0.099 4.449 4.350 0.001 0.000 0.194 297 E C 1.126 177.735 176.600 0.015 0.000 1.062 297 E CA 0.517 56.936 56.400 0.031 0.000 0.867 297 E CB 0.091 29.790 29.700 -0.003 0.000 0.888 297 E HN 0.365 nan 8.360 nan 0.000 0.510 298 G N 1.621 110.420 108.800 -0.002 0.000 2.368 298 G HA2 -0.317 3.644 3.960 0.001 0.000 0.290 298 G HA3 -0.317 3.644 3.960 0.001 0.000 0.290 298 G C -0.328 174.538 174.900 -0.057 0.000 1.098 298 G CA 0.228 45.311 45.100 -0.029 0.000 1.073 298 G HN 0.147 nan 8.290 nan 0.000 0.511 299 R N -0.586 119.889 120.500 -0.042 0.000 2.774 299 R HA 0.619 4.960 4.340 0.001 0.000 0.272 299 R C -0.017 176.260 176.300 -0.038 0.000 1.000 299 R CA -1.360 54.714 56.100 -0.044 0.000 0.906 299 R CB 0.741 31.017 30.300 -0.041 0.000 1.227 299 R HN 0.189 nan 8.270 nan 0.000 0.468 300 M N 2.198 121.772 119.600 -0.044 0.000 2.228 300 M HA 0.176 4.657 4.480 0.001 0.000 0.351 300 M C -0.240 176.027 176.300 -0.055 0.000 1.233 300 M CA 0.421 55.689 55.300 -0.053 0.000 1.129 300 M CB -0.058 32.494 32.600 -0.079 0.000 1.604 300 M HN 0.655 nan 8.290 nan 0.000 0.457 301 E N 0.873 121.043 120.200 -0.049 0.000 2.472 301 E HA 0.737 5.088 4.350 0.001 0.000 0.290 301 E C -0.764 175.819 176.600 -0.028 0.000 1.059 301 E CA -0.916 55.458 56.400 -0.045 0.000 0.861 301 E CB 0.709 30.388 29.700 -0.036 0.000 1.213 301 E HN 0.929 nan 8.360 nan 0.000 0.425 302 G N 1.167 109.946 108.800 -0.034 0.000 2.350 302 G HA2 0.227 4.187 3.960 0.001 0.000 0.304 302 G HA3 0.227 4.187 3.960 0.001 0.000 0.304 302 G C -0.133 174.755 174.900 -0.021 0.000 1.421 302 G CA -0.109 44.984 45.100 -0.012 0.000 0.934 302 G HN 0.548 nan 8.290 nan 0.000 0.632 303 E N 0.113 120.314 120.200 0.001 0.000 2.017 303 E HA -0.077 4.273 4.350 0.001 0.000 0.193 303 E C 2.593 179.196 176.600 0.005 0.000 0.997 303 E CA 1.855 58.258 56.400 0.003 0.000 0.804 303 E CB -0.069 29.641 29.700 0.017 0.000 0.757 303 E HN 0.395 nan 8.360 nan 0.000 0.448 304 R N 0.408 120.929 120.500 0.036 0.000 2.080 304 R HA -0.014 4.326 4.340 0.001 0.000 0.236 304 R C 0.803 177.094 176.300 -0.014 0.000 1.137 304 R CA 0.745 56.888 56.100 0.072 0.000 0.943 304 R CB -1.640 28.757 30.300 0.161 0.000 0.846 304 R HN 0.167 nan 8.270 nan 0.000 0.431 305 V N 5.166 125.008 119.914 -0.120 0.000 2.814 305 V HA -0.098 4.022 4.120 0.001 0.000 0.298 305 V C -1.688 174.162 176.094 -0.407 0.000 1.195 305 V CA -0.116 61.906 62.300 -0.464 0.000 1.323 305 V CB -0.252 31.387 31.823 -0.307 0.000 0.842 305 V HN 0.244 nan 8.190 nan 0.000 0.494 306 P HA 0.252 nan 4.420 nan 0.000 0.277 306 P C -0.416 176.749 177.300 -0.226 0.000 1.240 306 P CA -0.686 62.231 63.100 -0.304 0.000 0.798 306 P CB 0.838 32.377 31.700 -0.269 0.000 0.979 307 E N 1.616 121.738 120.200 -0.129 0.000 2.458 307 E HA 0.197 4.547 4.350 0.001 0.000 0.264 307 E C 1.375 177.914 176.600 -0.102 0.000 1.097 307 E CA 0.702 57.045 56.400 -0.095 0.000 0.973 307 E CB -0.657 29.009 29.700 -0.057 0.000 0.963 307 E HN 0.589 nan 8.360 nan 0.000 0.451 308 A N 0.473 123.245 122.820 -0.082 0.000 4.395 308 A HA -0.297 4.024 4.320 0.001 0.000 0.264 308 A C 1.281 178.810 177.584 -0.093 0.000 0.822 308 A CA 1.813 53.807 52.037 -0.073 0.000 1.118 308 A CB -1.636 17.329 19.000 -0.058 0.000 1.060 308 A HN 0.505 nan 8.150 nan 0.000 0.780 309 L N 0.183 121.322 121.223 -0.140 0.000 2.554 309 L HA 0.278 4.618 4.340 0.001 0.000 0.225 309 L C 1.038 177.805 176.870 -0.172 0.000 1.104 309 L CA 1.205 55.942 54.840 -0.171 0.000 0.866 309 L CB -0.066 41.831 42.059 -0.270 0.000 1.047 309 L HN 0.588 nan 8.230 nan 0.000 0.468 310 R N -1.156 119.249 120.500 -0.159 0.000 2.265 310 R HA 0.647 4.987 4.340 0.001 0.000 0.314 310 R C 0.398 176.647 176.300 -0.085 0.000 1.053 310 R CA 0.218 56.239 56.100 -0.130 0.000 0.931 310 R CB 0.760 30.985 30.300 -0.125 0.000 1.024 310 R HN 0.097 nan 8.270 nan 0.000 0.457 311 G N 2.258 111.016 108.800 -0.070 0.000 1.695 311 G HA2 -0.139 3.821 3.960 0.001 0.000 0.089 311 G HA3 -0.139 3.821 3.960 0.001 0.000 0.089 311 G C -0.538 174.336 174.900 -0.043 0.000 1.061 311 G CA -0.292 44.778 45.100 -0.051 0.000 1.207 311 G HN 0.595 nan 8.290 nan 0.000 0.389 312 L N 2.278 123.479 121.223 -0.036 0.000 2.484 312 L HA 0.382 4.722 4.340 0.001 0.000 0.297 312 L C 1.034 177.887 176.870 -0.029 0.000 1.292 312 L CA 1.041 55.865 54.840 -0.028 0.000 0.827 312 L CB -0.180 41.868 42.059 -0.019 0.000 1.077 312 L HN 0.861 nan 8.230 nan 0.000 0.560 313 D N 0.218 120.602 120.400 -0.027 0.000 2.484 313 D HA -0.209 4.431 4.640 0.001 0.000 0.216 313 D C 1.270 177.546 176.300 -0.039 0.000 1.299 313 D CA 1.483 55.455 54.000 -0.045 0.000 0.875 313 D CB 0.494 41.274 40.800 -0.033 0.000 1.241 313 D HN 0.579 nan 8.370 nan 0.000 0.559 314 R N 1.176 121.613 120.500 -0.105 0.000 2.119 314 R HA -0.012 4.329 4.340 0.001 0.000 0.222 314 R C 2.208 178.602 176.300 0.156 0.000 1.088 314 R CA 1.036 57.101 56.100 -0.059 0.000 0.984 314 R CB -0.383 29.802 30.300 -0.191 0.000 0.884 314 R HN 0.501 nan 8.270 nan 0.000 0.447 315 F N 1.045 121.000 119.950 0.008 0.000 2.317 315 F HA 0.107 4.634 4.527 0.001 0.000 0.290 315 F C 1.823 177.627 175.800 0.007 0.000 1.075 315 F CA -0.204 57.802 58.000 0.009 0.000 1.380 315 F CB 0.202 39.213 39.000 0.019 0.000 1.093 315 F HN 0.058 nan 8.300 nan 0.000 0.524 316 E N 1.060 121.378 120.200 0.197 0.000 2.520 316 E HA -0.027 4.323 4.350 0.001 0.000 0.201 316 E C 1.291 177.931 176.600 0.067 0.000 1.122 316 E CA 0.509 56.972 56.400 0.105 0.000 0.896 316 E CB -0.020 29.718 29.700 0.064 0.000 0.891 316 E HN 0.332 nan 8.360 nan 0.000 0.533 317 A N 0.095 122.965 122.820 0.084 0.000 2.055 317 A HA 0.060 4.381 4.320 0.001 0.000 0.205 317 A C 1.981 179.601 177.584 0.061 0.000 1.235 317 A CA 0.489 52.556 52.037 0.049 0.000 0.822 317 A CB -0.060 18.966 19.000 0.044 0.000 0.903 317 A HN 0.283 nan 8.150 nan 0.000 0.473 318 R N -0.258 120.293 120.500 0.085 0.000 2.161 318 R HA 0.133 4.473 4.340 0.001 0.000 0.213 318 R C 1.892 178.210 176.300 0.031 0.000 1.055 318 R CA 0.644 56.772 56.100 0.047 0.000 0.996 318 R CB -0.331 29.969 30.300 0.000 0.000 0.901 318 R HN 0.337 nan 8.270 nan 0.000 0.456 319 R N 1.425 121.955 120.500 0.050 0.000 2.096 319 R HA -0.056 4.284 4.340 0.001 0.000 0.229 319 R C 2.145 178.467 176.300 0.037 0.000 1.134 319 R CA 2.102 58.237 56.100 0.057 0.000 0.917 319 R CB -0.339 29.997 30.300 0.060 0.000 0.832 319 R HN 0.194 nan 8.270 nan 0.000 0.430 320 K N 0.227 120.636 120.400 0.014 0.000 2.360 320 K HA -0.085 4.236 4.320 0.001 0.000 0.201 320 K C 1.954 178.509 176.600 -0.075 0.000 1.046 320 K CA 0.965 57.240 56.287 -0.020 0.000 0.940 320 K CB -0.014 32.471 32.500 -0.026 0.000 0.748 320 K HN 0.231 nan 8.250 nan 0.000 0.465 321 A N 0.708 123.484 122.820 -0.073 0.000 1.897 321 A HA -0.072 4.248 4.320 0.001 0.000 0.215 321 A C 2.284 179.637 177.584 -0.385 0.000 1.181 321 A CA 0.953 52.865 52.037 -0.208 0.000 0.620 321 A CB -0.320 18.671 19.000 -0.014 0.000 0.821 321 A HN 0.046 nan 8.150 nan 0.000 0.443 322 V N 0.550 120.460 119.914 -0.007 0.000 2.270 322 V HA -0.197 3.923 4.120 0.001 0.000 0.245 322 V C 2.488 178.657 176.094 0.125 0.000 1.043 322 V CA 2.071 64.515 62.300 0.240 0.000 1.014 322 V CB -0.787 31.231 31.823 0.324 0.000 0.645 322 V HN 0.495 nan 8.190 nan 0.000 0.447 323 E N 0.213 120.439 120.200 0.044 0.000 2.171 323 E HA -0.169 4.181 4.350 0.001 0.000 0.197 323 E C 1.972 178.558 176.600 -0.023 0.000 0.997 323 E CA 0.897 57.311 56.400 0.024 0.000 0.810 323 E CB -0.381 29.325 29.700 0.010 0.000 0.738 323 E HN 0.351 nan 8.360 nan 0.000 0.467 324 L N -0.293 120.853 121.223 -0.129 0.000 2.599 324 L HA 0.019 4.360 4.340 0.001 0.000 0.230 324 L C 1.415 178.210 176.870 -0.125 0.000 1.141 324 L CA 0.733 55.477 54.840 -0.160 0.000 0.877 324 L CB -0.601 41.317 42.059 -0.235 0.000 1.009 324 L HN 0.029 nan 8.230 nan 0.000 0.447 325 F N 0.372 120.350 119.950 0.045 0.000 2.390 325 F HA 0.049 4.576 4.527 0.001 0.000 0.281 325 F C 2.626 178.356 175.800 -0.116 0.000 1.016 325 F CA 0.534 58.547 58.000 0.023 0.000 1.286 325 F CB -0.708 38.356 39.000 0.106 0.000 1.134 325 F HN 0.034 nan 8.300 nan 0.000 0.597 326 R N 0.829 121.443 120.500 0.190 0.000 2.070 326 R HA -0.173 4.168 4.340 0.001 0.000 0.233 326 R C 1.832 178.132 176.300 0.000 0.000 1.137 326 R CA 1.999 58.147 56.100 0.079 0.000 0.945 326 R CB -1.290 29.065 30.300 0.092 0.000 0.845 326 R HN 0.340 nan 8.270 nan 0.000 0.430 327 E N 0.488 120.692 120.200 0.007 0.000 2.463 327 E HA -0.108 4.242 4.350 0.001 0.000 0.201 327 E C 1.103 177.680 176.600 -0.039 0.000 1.045 327 E CA 0.815 57.209 56.400 -0.009 0.000 0.872 327 E CB 0.092 29.792 29.700 0.001 0.000 0.797 327 E HN 0.607 nan 8.360 nan 0.000 0.538 328 A N -0.287 122.467 122.820 -0.111 0.000 2.288 328 A HA 0.364 4.685 4.320 0.001 0.000 0.216 328 A C 1.316 178.658 177.584 -0.404 0.000 1.199 328 A CA 0.589 52.516 52.037 -0.184 0.000 0.891 328 A CB 0.415 19.327 19.000 -0.146 0.000 0.923 328 A HN 0.299 nan 8.150 nan 0.000 0.500 329 G N -0.018 108.575 108.800 -0.345 0.000 2.303 329 G HA2 -0.176 3.785 3.960 0.001 0.000 0.260 329 G HA3 -0.176 3.785 3.960 0.001 0.000 0.260 329 G C 0.096 174.964 174.900 -0.052 0.000 1.106 329 G CA 0.337 45.334 45.100 -0.173 0.000 0.900 329 G HN 0.654 nan 8.290 nan 0.000 0.495 330 H N -1.880 117.320 119.070 0.216 0.000 3.535 330 H HA 0.210 4.766 4.556 0.001 0.000 0.260 330 H C 0.920 176.311 175.328 0.105 0.000 1.173 330 H CA -0.141 56.029 56.048 0.203 0.000 1.168 330 H CB 0.456 30.415 29.762 0.328 0.000 1.568 330 H HN 0.450 nan 8.280 nan 0.000 0.602 331 L N 3.068 124.389 121.223 0.162 0.000 2.334 331 L HA 0.196 4.537 4.340 0.001 0.000 0.286 331 L C 1.161 178.079 176.870 0.080 0.000 1.108 331 L CA -0.046 54.865 54.840 0.118 0.000 0.875 331 L CB 0.129 42.287 42.059 0.165 0.000 1.246 331 L HN -0.015 nan 8.230 nan 0.000 0.439 332 V N 5.089 125.038 119.914 0.059 0.000 2.267 332 V HA 0.040 4.160 4.120 0.001 0.000 0.228 332 V C 0.764 176.862 176.094 0.007 0.000 1.040 332 V CA 1.210 63.536 62.300 0.043 0.000 1.010 332 V CB -0.021 31.822 31.823 0.033 0.000 0.649 332 V HN 0.917 nan 8.190 nan 0.000 0.464 333 K N 1.474 121.861 120.400 -0.021 0.000 2.413 333 K HA 0.494 4.815 4.320 0.001 0.000 0.257 333 K C -0.664 175.874 176.600 -0.103 0.000 0.946 333 K CA -0.573 55.681 56.287 -0.055 0.000 0.823 333 K CB 1.708 34.176 32.500 -0.053 0.000 1.109 333 K HN 0.755 nan 8.250 nan 0.000 0.427 334 E N 3.322 123.420 120.200 -0.169 0.000 2.227 334 E HA 0.339 4.689 4.350 0.001 0.000 0.268 334 E C -1.084 175.372 176.600 -0.240 0.000 0.990 334 E CA -0.796 55.404 56.400 -0.334 0.000 0.856 334 E CB 1.488 30.845 29.700 -0.570 0.000 1.159 334 E HN 0.778 nan 8.360 nan 0.000 0.401 335 E N 1.846 121.906 120.200 -0.233 0.000 2.388 335 E HA 0.179 4.529 4.350 0.001 0.000 0.281 335 E C -1.414 175.159 176.600 -0.044 0.000 1.046 335 E CA -0.851 55.477 56.400 -0.120 0.000 0.825 335 E CB 0.606 30.249 29.700 -0.096 0.000 1.243 335 E HN 0.473 nan 8.360 nan 0.000 0.438 336 D N 0.393 120.791 120.400 -0.002 0.000 2.370 336 D HA 0.232 4.872 4.640 0.001 0.000 0.235 336 D C -1.013 175.398 176.300 0.185 0.000 1.228 336 D CA 1.384 55.423 54.000 0.065 0.000 0.884 336 D CB 0.180 41.004 40.800 0.040 0.000 1.201 336 D HN 0.378 nan 8.370 nan 0.000 0.456 337 Y N -0.840 119.464 120.300 0.007 0.000 2.452 337 Y HA 0.197 4.747 4.550 0.001 0.000 0.323 337 Y C -1.238 174.682 175.900 0.033 0.000 1.244 337 Y CA -1.122 56.991 58.100 0.023 0.000 1.158 337 Y CB 0.847 39.339 38.460 0.054 0.000 1.332 337 Y HN 0.394 nan 8.280 nan 0.000 0.456 338 T N 5.286 119.556 114.554 -0.474 0.000 2.811 338 T HA 0.632 4.982 4.350 0.001 0.000 0.309 338 T C 0.114 174.436 174.700 -0.629 0.000 1.005 338 T CA -0.553 61.313 62.100 -0.390 0.000 0.955 338 T CB -0.526 68.211 68.868 -0.220 0.000 0.970 338 T HN 0.645 nan 8.240 nan 0.000 0.496 339 I N 0.465 120.798 120.570 -0.394 0.000 2.499 339 I HA 0.684 4.854 4.170 0.001 0.000 0.296 339 I C 0.616 176.669 176.117 -0.107 0.000 0.992 339 I CA -1.426 59.726 61.300 -0.247 0.000 1.297 339 I CB 1.104 39.081 38.000 -0.038 0.000 1.410 339 I HN 0.588 nan 8.210 nan 0.000 0.507 340 A N 6.902 129.695 122.820 -0.046 0.000 3.063 340 A HA 0.325 4.645 4.320 0.001 0.000 0.263 340 A C 0.090 177.696 177.584 0.037 0.000 1.736 340 A CA -0.359 51.677 52.037 -0.001 0.000 1.408 340 A CB -0.875 18.137 19.000 0.021 0.000 1.108 340 A HN 0.771 nan 8.150 nan 0.000 0.621 341 L N 1.975 123.218 121.223 0.034 0.000 2.477 341 L HA 0.379 4.719 4.340 0.001 0.000 0.272 341 L C 0.642 177.562 176.870 0.083 0.000 1.157 341 L CA -0.058 54.823 54.840 0.067 0.000 0.889 341 L CB 0.616 42.708 42.059 0.055 0.000 1.158 341 L HN 0.539 nan 8.230 nan 0.000 0.473 342 A N 4.165 127.058 122.820 0.120 0.000 2.362 342 A HA 0.572 4.892 4.320 0.001 0.000 0.276 342 A C 0.190 177.833 177.584 0.099 0.000 1.153 342 A CA 0.133 52.240 52.037 0.117 0.000 0.813 342 A CB 0.214 19.314 19.000 0.166 0.000 1.081 342 A HN 0.783 nan 8.150 nan 0.000 0.507 343 T N -1.060 113.533 114.554 0.065 0.000 2.916 343 T HA 0.427 4.778 4.350 0.001 0.000 0.292 343 T C -0.142 174.570 174.700 0.019 0.000 1.064 343 T CA -0.736 61.392 62.100 0.046 0.000 1.011 343 T CB 1.004 69.897 68.868 0.043 0.000 1.152 343 T HN 0.904 nan 8.240 nan 0.000 0.510 344 C N 3.299 122.597 119.300 -0.003 0.000 2.624 344 C HA 0.395 4.856 4.460 0.001 0.000 0.397 344 C C 2.397 177.383 174.990 -0.008 0.000 1.331 344 C CA 0.445 59.448 59.018 -0.024 0.000 1.716 344 C CB -1.312 26.392 27.740 -0.061 0.000 2.452 344 C HN 1.118 nan 8.230 nan 0.000 0.586 345 S N 4.358 120.061 115.700 0.005 0.000 2.420 345 S HA -0.232 4.238 4.470 0.001 0.000 0.237 345 S C 1.755 176.362 174.600 0.013 0.000 1.023 345 S CA 1.595 59.806 58.200 0.017 0.000 0.991 345 S CB -0.261 62.958 63.200 0.032 0.000 0.792 345 S HN 0.910 nan 8.310 nan 0.000 0.488 346 R N -0.587 119.913 120.500 -0.000 0.000 2.472 346 R HA 0.321 4.662 4.340 0.001 0.000 0.279 346 R C 1.448 177.727 176.300 -0.034 0.000 0.953 346 R CA 0.638 56.733 56.100 -0.009 0.000 1.088 346 R CB 0.360 30.659 30.300 -0.002 0.000 1.197 346 R HN 0.682 nan 8.270 nan 0.000 0.536 347 C N -4.524 114.753 119.300 -0.039 0.000 4.491 347 C HA 0.541 5.001 4.460 0.001 0.000 0.458 347 C C 1.393 176.362 174.990 -0.035 0.000 1.644 347 C CA 0.446 59.433 59.018 -0.051 0.000 2.151 347 C CB 0.823 28.515 27.740 -0.080 0.000 3.250 347 C HN 0.491 nan 8.230 nan 0.000 0.648 348 G N 1.347 110.134 108.800 -0.021 0.000 2.659 348 G HA2 -0.209 3.751 3.960 0.001 0.000 0.212 348 G HA3 -0.209 3.751 3.960 0.001 0.000 0.212 348 G C 0.247 175.150 174.900 0.006 0.000 1.226 348 G CA 0.381 45.479 45.100 -0.004 0.000 0.739 348 G HN 0.910 nan 8.290 nan 0.000 0.528 349 T N 5.658 120.208 114.554 -0.006 0.000 2.923 349 T HA 0.379 4.730 4.350 0.001 0.000 0.309 349 T C -1.901 172.815 174.700 0.027 0.000 1.059 349 T CA 0.909 63.014 62.100 0.008 0.000 1.133 349 T CB 0.972 69.823 68.868 -0.028 0.000 1.053 349 T HN 0.489 nan 8.240 nan 0.000 0.530 350 P HA 0.194 nan 4.420 nan 0.000 0.276 350 P C 0.337 177.692 177.300 0.092 0.000 1.243 350 P CA -0.475 62.693 63.100 0.113 0.000 0.768 350 P CB 0.126 31.950 31.700 0.208 0.000 0.856 351 I N 0.169 120.780 120.570 0.067 0.000 2.836 351 I HA 0.257 4.427 4.170 0.001 0.000 0.285 351 I C 0.408 176.591 176.117 0.110 0.000 1.174 351 I CA -0.164 61.151 61.300 0.026 0.000 1.405 351 I CB 0.603 38.564 38.000 -0.064 0.000 1.385 351 I HN 0.357 nan 8.210 nan 0.000 0.594 352 E N 2.740 123.014 120.200 0.124 0.000 2.469 352 E HA 0.500 4.850 4.350 0.001 0.000 0.246 352 E C -1.687 174.997 176.600 0.140 0.000 0.969 352 E CA -0.862 55.698 56.400 0.266 0.000 0.881 352 E CB 1.446 31.316 29.700 0.283 0.000 1.320 352 E HN 0.635 nan 8.360 nan 0.000 0.421 353 Y N -1.230 119.166 120.300 0.160 0.000 2.581 353 Y HA 0.717 5.268 4.550 0.001 0.000 0.345 353 Y C -0.460 175.423 175.900 -0.028 0.000 1.036 353 Y CA -0.464 57.689 58.100 0.090 0.000 1.042 353 Y CB 2.446 40.948 38.460 0.070 0.000 1.289 353 Y HN 0.623 nan 8.280 nan 0.000 0.471 354 A N 1.509 124.346 122.820 0.029 0.000 2.590 354 A HA 0.647 4.967 4.320 0.001 0.000 0.296 354 A C -2.244 175.257 177.584 -0.139 0.000 1.050 354 A CA -0.670 51.266 52.037 -0.168 0.000 0.697 354 A CB 0.860 19.628 19.000 -0.387 0.000 1.277 354 A HN 0.450 nan 8.150 nan 0.000 0.411 355 I N 1.772 122.245 120.570 -0.163 0.000 2.342 355 I HA 0.498 4.668 4.170 0.001 0.000 0.291 355 I C -0.205 175.943 176.117 0.051 0.000 1.010 355 I CA -0.040 61.221 61.300 -0.065 0.000 1.308 355 I CB -0.065 37.910 38.000 -0.043 0.000 1.400 355 I HN 0.632 nan 8.210 nan 0.000 0.488 356 F N 6.836 126.766 119.950 -0.034 0.000 2.631 356 F HA 0.409 4.937 4.527 0.001 0.000 0.308 356 F C -2.498 173.314 175.800 0.019 0.000 1.097 356 F CA -2.254 55.732 58.000 -0.023 0.000 0.952 356 F CB 3.567 42.565 39.000 -0.003 0.000 1.307 356 F HN 0.203 nan 8.300 nan 0.000 0.450 357 P HA 0.248 nan 4.420 nan 0.000 0.291 357 P C -1.393 175.804 177.300 -0.171 0.000 1.340 357 P CA -0.206 62.837 63.100 -0.094 0.000 0.799 357 P CB 1.122 32.706 31.700 -0.194 0.000 0.917 358 Q N 1.693 121.519 119.800 0.043 0.000 2.633 358 Q HA 0.404 4.744 4.340 0.001 0.000 0.292 358 Q C -1.039 174.923 176.000 -0.065 0.000 1.089 358 Q CA -0.515 55.284 55.803 -0.005 0.000 0.811 358 Q CB 1.315 30.145 28.738 0.153 0.000 1.472 358 Q HN 0.403 nan 8.270 nan 0.000 0.464 359 W N 0.647 121.872 121.300 -0.124 0.000 2.335 359 W HA 0.400 5.060 4.660 0.001 0.000 0.307 359 W C -0.732 175.485 176.519 -0.504 0.000 1.117 359 W CA -0.305 56.947 57.345 -0.155 0.000 1.228 359 W CB 0.679 29.968 29.460 -0.285 0.000 1.240 359 W HN 0.384 nan 8.180 nan 0.000 0.468 360 W N 3.872 125.075 121.300 -0.161 0.000 2.820 360 W HA 0.641 5.301 4.660 0.001 0.000 0.350 360 W C -1.106 175.040 176.519 -0.622 0.000 1.116 360 W CA -1.182 55.909 57.345 -0.424 0.000 1.146 360 W CB 0.888 30.057 29.460 -0.485 0.000 1.433 360 W HN -0.113 nan 8.180 nan 0.000 0.561 361 L N 2.528 123.572 121.223 -0.298 0.000 2.406 361 L HA 0.478 4.818 4.340 0.001 0.000 0.270 361 L C -0.014 176.786 176.870 -0.117 0.000 0.982 361 L CA -1.050 53.610 54.840 -0.302 0.000 0.843 361 L CB 1.021 42.847 42.059 -0.389 0.000 1.225 361 L HN 0.332 nan 8.230 nan 0.000 0.412 362 R N 5.418 125.870 120.500 -0.080 0.000 2.903 362 R HA -0.014 4.327 4.340 0.001 0.000 0.315 362 R C 0.849 177.168 176.300 0.032 0.000 1.219 362 R CA 0.010 56.157 56.100 0.079 0.000 0.977 362 R CB 0.142 30.523 30.300 0.135 0.000 1.042 362 R HN 0.715 nan 8.270 nan 0.000 0.466 363 M N 1.574 121.219 119.600 0.076 0.000 2.254 363 M HA -0.108 4.372 4.480 0.001 0.000 0.265 363 M C 1.903 178.224 176.300 0.036 0.000 1.066 363 M CA 1.461 56.809 55.300 0.080 0.000 1.123 363 M CB -0.449 32.229 32.600 0.129 0.000 1.388 363 M HN 0.395 nan 8.290 nan 0.000 0.425 364 R N 0.441 120.959 120.500 0.030 0.000 2.112 364 R HA -0.175 4.165 4.340 0.001 0.000 0.242 364 R C -0.353 175.950 176.300 0.006 0.000 1.137 364 R CA 1.702 57.806 56.100 0.006 0.000 0.944 364 R CB -2.671 27.638 30.300 0.016 0.000 0.857 364 R HN 0.383 nan 8.270 nan 0.000 0.435 365 P HA -0.101 nan 4.420 nan 0.000 0.215 365 P C 1.881 179.180 177.300 -0.003 0.000 1.157 365 P CA 1.175 64.279 63.100 0.007 0.000 0.859 365 P CB -0.158 31.549 31.700 0.011 0.000 0.786 366 L N 0.069 121.278 121.223 -0.024 0.000 1.970 366 L HA -0.197 4.144 4.340 0.001 0.000 0.212 366 L C 2.925 179.813 176.870 0.030 0.000 1.071 366 L CA 1.942 56.766 54.840 -0.026 0.000 0.751 366 L CB -1.591 40.445 42.059 -0.038 0.000 0.889 366 L HN -0.060 nan 8.230 nan 0.000 0.432 367 A N -0.631 122.215 122.820 0.044 0.000 1.971 367 A HA -0.291 4.029 4.320 0.001 0.000 0.222 367 A C 2.288 179.882 177.584 0.017 0.000 1.182 367 A CA 2.132 54.201 52.037 0.053 0.000 0.649 367 A CB -0.526 18.485 19.000 0.017 0.000 0.818 367 A HN 0.436 nan 8.150 nan 0.000 0.458 368 E N -0.661 119.539 120.200 0.000 0.000 2.152 368 E HA -0.127 4.224 4.350 0.001 0.000 0.192 368 E C 1.944 178.524 176.600 -0.033 0.000 0.983 368 E CA 0.907 57.298 56.400 -0.015 0.000 0.818 368 E CB -0.243 29.453 29.700 -0.007 0.000 0.758 368 E HN 0.795 nan 8.360 nan 0.000 0.467 369 E N -0.058 120.136 120.200 -0.010 0.000 2.118 369 E HA -0.157 4.193 4.350 0.001 0.000 0.195 369 E C 1.996 178.499 176.600 -0.161 0.000 0.992 369 E CA 1.209 57.608 56.400 -0.003 0.000 0.804 369 E CB 0.285 30.040 29.700 0.091 0.000 0.741 369 E HN 0.050 nan 8.360 nan 0.000 0.458 370 V N 0.813 120.616 119.914 -0.185 0.000 2.302 370 V HA -0.213 3.907 4.120 0.001 0.000 0.243 370 V C 2.318 178.180 176.094 -0.386 0.000 1.036 370 V CA 1.154 63.192 62.300 -0.438 0.000 1.020 370 V CB -0.468 31.308 31.823 -0.078 0.000 0.657 370 V HN 0.304 nan 8.190 nan 0.000 0.453 371 L N 0.297 121.431 121.223 -0.148 0.000 2.189 371 L HA -0.255 4.085 4.340 0.001 0.000 0.214 371 L C 2.586 179.393 176.870 -0.104 0.000 1.097 371 L CA 1.689 56.481 54.840 -0.080 0.000 0.764 371 L CB -0.743 41.297 42.059 -0.032 0.000 0.900 371 L HN 0.338 nan 8.230 nan 0.000 0.436 372 K N 0.825 121.136 120.400 -0.148 0.000 2.009 372 K HA -0.135 4.185 4.320 0.001 0.000 0.210 372 K C 1.930 178.472 176.600 -0.098 0.000 1.049 372 K CA 1.777 58.005 56.287 -0.098 0.000 0.929 372 K CB -0.821 31.633 32.500 -0.077 0.000 0.714 372 K HN 0.222 nan 8.250 nan 0.000 0.440 373 G N 0.970 109.610 108.800 -0.267 0.000 2.524 373 G HA2 -0.205 3.755 3.960 0.001 0.000 0.215 373 G HA3 -0.205 3.755 3.960 0.001 0.000 0.215 373 G C 1.542 176.473 174.900 0.052 0.000 1.239 373 G CA 1.133 46.186 45.100 -0.077 0.000 0.798 373 G HN 0.300 nan 8.290 nan 0.000 0.557 374 L N 0.067 121.313 121.223 0.038 0.000 2.011 374 L HA -0.280 4.060 4.340 0.001 0.000 0.225 374 L C 2.931 179.861 176.870 0.099 0.000 1.084 374 L CA 2.113 57.036 54.840 0.139 0.000 0.791 374 L CB -0.624 41.512 42.059 0.129 0.000 0.898 374 L HN 0.218 nan 8.230 nan 0.000 0.440 375 R N 0.247 120.775 120.500 0.046 0.000 2.113 375 R HA -0.256 4.084 4.340 0.001 0.000 0.244 375 R C 2.505 178.838 176.300 0.055 0.000 1.142 375 R CA 2.192 58.316 56.100 0.039 0.000 0.953 375 R CB -0.249 30.061 30.300 0.016 0.000 0.860 375 R HN 0.258 nan 8.270 nan 0.000 0.438 376 R N -1.064 119.474 120.500 0.064 0.000 2.148 376 R HA -0.080 4.261 4.340 0.001 0.000 0.227 376 R C 0.788 177.143 176.300 0.092 0.000 1.103 376 R CA 1.573 57.718 56.100 0.076 0.000 0.983 376 R CB 0.125 30.477 30.300 0.087 0.000 0.874 376 R HN 0.501 nan 8.270 nan 0.000 0.451 377 G N -0.317 108.552 108.800 0.116 0.000 2.159 377 G HA2 -0.177 3.783 3.960 0.001 0.000 0.170 377 G HA3 -0.177 3.783 3.960 0.001 0.000 0.170 377 G C -0.013 174.977 174.900 0.150 0.000 1.007 377 G CA 0.209 45.386 45.100 0.128 0.000 0.672 377 G HN 0.381 nan 8.290 nan 0.000 0.507 378 D N 0.258 120.767 120.400 0.181 0.000 2.104 378 D HA 0.003 4.644 4.640 0.001 0.000 0.194 378 D C 1.528 177.940 176.300 0.186 0.000 0.994 378 D CA 1.204 55.323 54.000 0.199 0.000 0.830 378 D CB 0.182 41.171 40.800 0.316 0.000 0.959 378 D HN 0.610 nan 8.370 nan 0.000 0.452 379 I N 0.134 120.848 120.570 0.239 0.000 2.525 379 I HA 0.476 4.647 4.170 0.001 0.000 0.301 379 I C -0.307 175.919 176.117 0.182 0.000 0.992 379 I CA -1.094 60.314 61.300 0.181 0.000 1.162 379 I CB 1.963 40.092 38.000 0.216 0.000 1.332 379 I HN -0.141 nan 8.210 nan 0.000 0.458 380 A N 5.672 128.496 122.820 0.007 0.000 2.337 380 A HA 0.813 5.133 4.320 0.001 0.000 0.329 380 A C -1.247 176.255 177.584 -0.137 0.000 1.146 380 A CA -0.290 51.787 52.037 0.068 0.000 0.800 380 A CB 0.612 19.634 19.000 0.038 0.000 1.220 380 A HN 0.488 nan 8.150 nan 0.000 0.472 381 F N 1.837 121.828 119.950 0.068 0.000 2.467 381 F HA 0.391 4.919 4.527 0.001 0.000 0.336 381 F C 1.430 177.278 175.800 0.079 0.000 1.123 381 F CA -0.554 57.493 58.000 0.078 0.000 0.964 381 F CB 1.803 40.889 39.000 0.143 0.000 1.136 381 F HN 0.453 nan 8.300 nan 0.000 0.447 382 V N 1.131 121.143 119.914 0.164 0.000 2.216 382 V HA -0.110 4.010 4.120 0.001 0.000 0.243 382 V C -0.878 175.326 176.094 0.183 0.000 1.044 382 V CA 1.166 63.537 62.300 0.119 0.000 0.995 382 V CB -1.994 29.855 31.823 0.043 0.000 0.633 382 V HN 0.564 nan 8.190 nan 0.000 0.446 383 P HA -0.137 nan 4.420 nan 0.000 0.218 383 P C 1.192 178.609 177.300 0.195 0.000 1.146 383 P CA 2.192 65.456 63.100 0.273 0.000 0.813 383 P CB -0.141 31.876 31.700 0.528 0.000 0.778 384 E N -1.999 118.376 120.200 0.291 0.000 4.278 384 E HA -0.345 4.005 4.350 0.001 0.000 0.339 384 E C 1.302 177.938 176.600 0.059 0.000 0.624 384 E CA 1.181 57.702 56.400 0.202 0.000 1.405 384 E CB -1.250 28.519 29.700 0.115 0.000 1.797 384 E HN 0.359 nan 8.360 nan 0.000 0.400 385 R N -0.031 120.432 120.500 -0.062 0.000 2.323 385 R HA -0.010 4.331 4.340 0.001 0.000 0.198 385 R C 1.118 177.215 176.300 -0.339 0.000 0.988 385 R CA 1.064 57.011 56.100 -0.255 0.000 1.041 385 R CB -0.371 29.692 30.300 -0.394 0.000 0.926 385 R HN 0.266 nan 8.270 nan 0.000 0.476 386 W N 1.709 122.954 121.300 -0.090 0.000 3.197 386 W HA 0.274 4.934 4.660 0.001 0.000 0.274 386 W C 2.018 178.240 176.519 -0.495 0.000 1.297 386 W CA -0.357 56.890 57.345 -0.163 0.000 1.662 386 W CB 0.321 29.786 29.460 0.008 0.000 1.106 386 W HN 0.040 nan 8.180 nan 0.000 0.663 387 K N 1.198 121.301 120.400 -0.495 0.000 1.991 387 K HA -0.249 4.071 4.320 0.001 0.000 0.212 387 K C 1.877 178.260 176.600 -0.363 0.000 1.049 387 K CA 1.627 57.405 56.287 -0.849 0.000 0.932 387 K CB 0.064 32.319 32.500 -0.408 0.000 0.717 387 K HN -0.172 nan 8.250 nan 0.000 0.441 388 K N 0.442 120.731 120.400 -0.185 0.000 2.032 388 K HA -0.095 4.226 4.320 0.001 0.000 0.209 388 K C 1.916 178.514 176.600 -0.004 0.000 1.048 388 K CA 1.220 57.457 56.287 -0.082 0.000 0.927 388 K CB -0.618 31.835 32.500 -0.078 0.000 0.712 388 K HN 0.036 nan 8.250 nan 0.000 0.441 389 V N 1.434 121.359 119.914 0.019 0.000 2.568 389 V HA -0.273 3.848 4.120 0.001 0.000 0.253 389 V C 2.029 178.345 176.094 0.369 0.000 1.072 389 V CA 1.895 64.308 62.300 0.188 0.000 1.084 389 V CB -0.701 31.257 31.823 0.226 0.000 0.676 389 V HN 0.437 nan 8.190 nan 0.000 0.469 390 N N -0.281 118.554 118.700 0.225 0.000 2.124 390 N HA -0.098 4.642 4.740 0.001 0.000 0.189 390 N C 2.024 177.696 175.510 0.270 0.000 1.050 390 N CA 1.145 54.371 53.050 0.293 0.000 0.848 390 N CB -0.081 38.463 38.487 0.096 0.000 1.027 390 N HN 0.266 nan 8.380 nan 0.000 0.435 391 M N 1.012 120.683 119.600 0.118 0.000 2.113 391 M HA -0.224 4.256 4.480 0.001 0.000 0.255 391 M C 1.279 177.639 176.300 0.099 0.000 1.073 391 M CA 1.672 57.030 55.300 0.095 0.000 1.091 391 M CB -0.653 31.963 32.600 0.026 0.000 1.309 391 M HN 0.190 nan 8.290 nan 0.000 0.407 392 D N -0.832 119.622 120.400 0.090 0.000 2.265 392 D HA -0.181 4.460 4.640 0.001 0.000 0.208 392 D C 1.428 177.757 176.300 0.050 0.000 0.977 392 D CA 1.006 55.039 54.000 0.056 0.000 0.871 392 D CB -0.333 40.502 40.800 0.057 0.000 0.925 392 D HN 0.559 nan 8.370 nan 0.000 0.485 393 W N 1.145 122.397 121.300 -0.080 0.000 2.408 393 W HA -0.019 4.642 4.660 0.001 0.000 0.311 393 W C 1.981 178.387 176.519 -0.188 0.000 1.190 393 W CA 0.819 57.999 57.345 -0.275 0.000 1.321 393 W CB -0.354 28.779 29.460 -0.544 0.000 1.143 393 W HN -0.123 nan 8.180 nan 0.000 0.501 394 L N 0.729 122.051 121.223 0.166 0.000 2.131 394 L HA -0.213 4.127 4.340 0.001 0.000 0.210 394 L C 2.529 179.320 176.870 -0.131 0.000 1.092 394 L CA 1.214 56.069 54.840 0.026 0.000 0.759 394 L CB -0.951 41.213 42.059 0.175 0.000 0.903 394 L HN -0.027 nan 8.230 nan 0.000 0.435 395 E N 0.854 121.000 120.200 -0.090 0.000 2.130 395 E HA -0.157 4.193 4.350 0.001 0.000 0.196 395 E C 0.433 176.940 176.600 -0.155 0.000 0.998 395 E CA 1.074 57.416 56.400 -0.096 0.000 0.806 395 E CB -0.253 29.409 29.700 -0.063 0.000 0.738 395 E HN 0.589 nan 8.360 nan 0.000 0.459 396 N N 0.502 119.049 118.700 -0.254 0.000 2.818 396 N HA 0.144 4.884 4.740 0.001 0.000 0.301 396 N C -0.416 174.852 175.510 -0.405 0.000 1.821 396 N CA -0.083 52.808 53.050 -0.264 0.000 0.930 396 N CB 1.242 39.600 38.487 -0.214 0.000 1.263 396 N HN -0.181 nan 8.380 nan 0.000 0.487 397 V N 0.147 119.817 119.914 -0.406 0.000 3.036 397 V HA 0.399 4.519 4.120 0.001 0.000 0.308 397 V C 0.498 176.459 176.094 -0.222 0.000 1.070 397 V CA -0.529 61.481 62.300 -0.482 0.000 1.056 397 V CB 1.498 33.051 31.823 -0.451 0.000 1.084 397 V HN 0.192 nan 8.190 nan 0.000 0.471 398 K N 0.856 121.170 120.400 -0.144 0.000 2.507 398 K HA 0.327 4.648 4.320 0.001 0.000 0.252 398 K C -1.422 175.280 176.600 0.171 0.000 0.943 398 K CA -0.910 55.392 56.287 0.026 0.000 0.808 398 K CB 1.597 34.129 32.500 0.053 0.000 1.142 398 K HN 0.694 nan 8.250 nan 0.000 0.426 399 D N 2.147 122.684 120.400 0.227 0.000 3.139 399 D HA -0.201 4.440 4.640 0.001 0.000 0.212 399 D C -0.399 176.207 176.300 0.511 0.000 1.084 399 D CA 0.959 55.170 54.000 0.351 0.000 0.777 399 D CB 0.200 41.246 40.800 0.410 0.000 1.156 399 D HN 0.260 nan 8.370 nan 0.000 0.537 400 W N 4.592 125.973 121.300 0.135 0.000 2.335 400 W HA 0.192 4.853 4.660 0.001 0.000 0.306 400 W C 0.005 176.334 176.519 -0.317 0.000 1.216 400 W CA -1.497 55.844 57.345 -0.007 0.000 1.237 400 W CB -0.127 29.360 29.460 0.045 0.000 1.243 400 W HN 0.346 nan 8.180 nan 0.000 0.493 401 N N 5.284 123.678 118.700 -0.510 0.000 2.438 401 N HA -0.022 4.719 4.740 0.001 0.000 0.267 401 N C 0.553 175.680 175.510 -0.638 0.000 1.222 401 N CA -0.113 52.232 53.050 -1.176 0.000 0.930 401 N CB 0.577 38.336 38.487 -1.213 0.000 1.083 401 N HN 0.570 nan 8.380 nan 0.000 0.476 402 I N 1.955 122.045 120.570 -0.799 0.000 3.035 402 I HA -0.017 4.154 4.170 0.001 0.000 0.271 402 I C 0.807 176.648 176.117 -0.461 0.000 1.190 402 I CA 0.465 61.314 61.300 -0.751 0.000 1.472 402 I CB -0.021 37.385 38.000 -0.989 0.000 1.116 402 I HN 0.442 nan 8.210 nan 0.000 0.443 403 S N 0.904 116.373 115.700 -0.384 0.000 2.584 403 S HA 0.425 4.895 4.470 0.001 0.000 0.270 403 S C 0.149 174.667 174.600 -0.137 0.000 1.346 403 S CA -0.158 57.888 58.200 -0.256 0.000 1.018 403 S CB 0.750 63.885 63.200 -0.107 0.000 0.899 403 S HN 0.182 nan 8.310 nan 0.000 0.542 404 R N 0.386 120.837 120.500 -0.081 0.000 2.561 404 R HA 0.259 4.599 4.340 0.001 0.000 0.266 404 R C -1.227 175.115 176.300 0.070 0.000 1.091 404 R CA -0.357 55.754 56.100 0.019 0.000 0.927 404 R CB 0.836 31.158 30.300 0.036 0.000 1.240 404 R HN 0.382 nan 8.270 nan 0.000 0.449 405 Q N 2.417 122.297 119.800 0.133 0.000 2.228 405 Q HA 0.298 4.638 4.340 0.001 0.000 0.211 405 Q C -0.210 175.924 176.000 0.223 0.000 0.890 405 Q CA 0.108 56.034 55.803 0.205 0.000 0.953 405 Q CB 0.160 29.090 28.738 0.321 0.000 1.053 405 Q HN 0.434 nan 8.270 nan 0.000 0.471 406 L N -0.884 120.451 121.223 0.185 0.000 2.466 406 L HA 0.137 4.477 4.340 0.001 0.000 0.257 406 L C 0.355 177.515 176.870 0.484 0.000 1.189 406 L CA -0.315 54.654 54.840 0.215 0.000 0.813 406 L CB 0.520 42.686 42.059 0.179 0.000 1.118 406 L HN 0.349 nan 8.230 nan 0.000 0.471 407 W N -0.286 121.138 121.300 0.207 0.000 3.239 407 W HA 0.090 4.750 4.660 0.001 0.000 0.348 407 W C 1.183 177.975 176.519 0.455 0.000 1.183 407 W CA -0.943 56.575 57.345 0.289 0.000 1.819 407 W CB -0.442 29.201 29.460 0.305 0.000 1.091 407 W HN 0.594 nan 8.180 nan 0.000 0.629 408 W N 0.651 122.156 121.300 0.341 0.000 2.903 408 W HA 0.246 4.907 4.660 0.001 0.000 0.295 408 W C 1.801 178.471 176.519 0.252 0.000 1.058 408 W CA 0.901 58.395 57.345 0.249 0.000 1.687 408 W CB -0.637 28.919 29.460 0.160 0.000 1.286 408 W HN -0.183 nan 8.180 nan 0.000 0.494 409 G N 0.364 109.275 108.800 0.184 0.000 2.689 409 G HA2 -0.284 3.677 3.960 0.001 0.000 1.020 409 G HA3 -0.284 3.677 3.960 0.001 0.000 1.020 409 G C -0.700 174.262 174.900 0.103 0.000 1.135 409 G CA -0.117 44.998 45.100 0.025 0.000 1.645 409 G HN 0.616 nan 8.290 nan 0.000 0.928 410 H N -0.102 119.000 119.070 0.053 0.000 2.800 410 H HA 0.231 4.788 4.556 0.001 0.000 0.291 410 H C 0.698 176.143 175.328 0.195 0.000 1.076 410 H CA -0.376 55.734 56.048 0.103 0.000 1.452 410 H CB 0.645 30.478 29.762 0.118 0.000 1.461 410 H HN 0.538 nan 8.280 nan 0.000 0.488 411 Q N 4.945 124.868 119.800 0.205 0.000 2.242 411 Q HA 0.003 4.343 4.340 0.001 0.000 0.284 411 Q C 0.154 176.188 176.000 0.058 0.000 1.130 411 Q CA -0.344 55.499 55.803 0.067 0.000 0.940 411 Q CB 0.274 29.017 28.738 0.009 0.000 1.146 411 Q HN 0.621 nan 8.270 nan 0.000 0.388 412 I N 5.728 126.214 120.570 -0.139 0.000 2.932 412 I HA 0.042 4.212 4.170 0.001 0.000 0.295 412 I C -1.960 174.068 176.117 -0.148 0.000 1.227 412 I CA -1.252 59.920 61.300 -0.214 0.000 1.429 412 I CB 0.758 38.046 38.000 -1.186 0.000 1.339 412 I HN 0.626 nan 8.210 nan 0.000 0.589 413 P HA 0.295 nan 4.420 nan 0.000 0.214 413 P C -1.256 176.068 177.300 0.040 0.000 1.849 413 P CA -0.155 63.003 63.100 0.097 0.000 1.022 413 P CB 0.078 31.966 31.700 0.313 0.000 1.912 414 A N 1.717 124.356 122.820 -0.301 0.000 2.422 414 A HA 0.697 5.017 4.320 0.001 0.000 0.302 414 A C -1.762 175.415 177.584 -0.679 0.000 1.041 414 A CA -0.558 51.313 52.037 -0.277 0.000 0.708 414 A CB 1.207 20.113 19.000 -0.156 0.000 1.257 414 A HN 0.208 nan 8.150 nan 0.000 0.414 415 W N 0.933 122.019 121.300 -0.357 0.000 2.656 415 W HA 0.630 5.290 4.660 0.001 0.000 0.327 415 W C -0.985 175.362 176.519 -0.288 0.000 1.041 415 W CA -0.303 56.843 57.345 -0.332 0.000 1.229 415 W CB 1.110 30.499 29.460 -0.120 0.000 1.397 415 W HN 0.586 nan 8.180 nan 0.000 0.479 416 Y N 2.210 122.662 120.300 0.253 0.000 2.331 416 Y HA 0.364 4.915 4.550 0.001 0.000 0.338 416 Y C 0.521 176.516 175.900 0.159 0.000 0.976 416 Y CA -1.227 56.980 58.100 0.178 0.000 1.137 416 Y CB 1.237 39.768 38.460 0.119 0.000 1.172 416 Y HN 0.321 nan 8.280 nan 0.000 0.478 417 C N 4.766 124.240 119.300 0.291 0.000 2.651 417 C HA 0.035 4.495 4.460 0.001 0.000 0.410 417 C C 1.243 176.329 174.990 0.160 0.000 1.372 417 C CA -0.265 58.868 59.018 0.191 0.000 1.707 417 C CB -0.833 26.996 27.740 0.148 0.000 2.501 417 C HN 0.918 nan 8.230 nan 0.000 0.598 418 E N 3.044 123.327 120.200 0.137 0.000 2.357 418 E HA -0.021 4.329 4.350 0.001 0.000 0.194 418 E C 0.328 176.975 176.600 0.078 0.000 1.177 418 E CA 0.420 56.883 56.400 0.106 0.000 0.998 418 E CB 0.193 29.952 29.700 0.097 0.000 1.106 418 E HN 0.719 nan 8.360 nan 0.000 0.470 419 D N -1.192 119.255 120.400 0.079 0.000 2.690 419 D HA -0.047 4.594 4.640 0.001 0.000 0.235 419 D C 1.519 177.854 176.300 0.058 0.000 1.327 419 D CA 0.178 54.214 54.000 0.061 0.000 1.264 419 D CB -0.492 40.341 40.800 0.056 0.000 1.574 419 D HN 0.275 nan 8.370 nan 0.000 0.421 420 C N 1.228 120.569 119.300 0.069 0.000 2.754 420 C HA 0.300 4.761 4.460 0.001 0.000 0.276 420 C C 0.944 175.976 174.990 0.070 0.000 1.264 420 C CA -0.011 59.045 59.018 0.063 0.000 1.700 420 C CB -0.834 26.945 27.740 0.066 0.000 1.885 420 C HN 0.269 nan 8.230 nan 0.000 0.607 421 Q N -0.236 119.612 119.800 0.080 0.000 2.481 421 Q HA -0.172 4.169 4.340 0.001 0.000 0.258 421 Q C 0.241 176.307 176.000 0.110 0.000 0.961 421 Q CA 1.076 56.924 55.803 0.075 0.000 1.121 421 Q CB -1.841 26.914 28.738 0.029 0.000 1.503 421 Q HN 1.020 nan 8.270 nan 0.000 0.544 422 A N -0.646 122.270 122.820 0.159 0.000 2.293 422 A HA 0.710 5.030 4.320 0.001 0.000 0.302 422 A C 0.066 177.849 177.584 0.332 0.000 1.119 422 A CA -0.092 52.068 52.037 0.206 0.000 0.823 422 A CB 0.896 19.997 19.000 0.169 0.000 1.097 422 A HN 0.706 nan 8.150 nan 0.000 0.491 423 V N 0.546 120.687 119.914 0.379 0.000 2.465 423 V HA 0.510 4.630 4.120 0.001 0.000 0.279 423 V C -0.466 175.789 176.094 0.269 0.000 1.045 423 V CA -0.892 61.686 62.300 0.464 0.000 0.938 423 V CB 1.117 33.293 31.823 0.588 0.000 0.986 423 V HN 0.691 nan 8.190 nan 0.000 0.467 424 N N 3.631 122.451 118.700 0.201 0.000 2.479 424 N HA 0.496 5.237 4.740 0.001 0.000 0.261 424 N C -1.182 174.396 175.510 0.113 0.000 0.979 424 N CA -0.243 52.898 53.050 0.151 0.000 0.930 424 N CB 2.003 40.584 38.487 0.157 0.000 1.172 424 N HN 0.653 nan 8.380 nan 0.000 0.499 425 V N 4.082 123.965 119.914 -0.051 0.000 2.326 425 V HA 0.319 4.440 4.120 0.001 0.000 0.281 425 V C -2.080 174.104 176.094 0.149 0.000 1.015 425 V CA -1.937 60.265 62.300 -0.163 0.000 0.823 425 V CB 1.578 32.804 31.823 -0.996 0.000 1.009 425 V HN 0.416 nan 8.190 nan 0.000 0.436 426 P HA -0.038 nan 4.420 nan 0.000 0.265 426 P C 0.096 177.518 177.300 0.204 0.000 1.167 426 P CA 0.613 63.807 63.100 0.157 0.000 0.760 426 P CB 0.434 32.234 31.700 0.166 0.000 0.783 427 R N 4.804 125.316 120.500 0.020 0.000 2.583 427 R HA 0.202 4.543 4.340 0.001 0.000 0.268 427 R C -1.739 174.551 176.300 -0.018 0.000 1.101 427 R CA -1.632 54.354 56.100 -0.189 0.000 1.180 427 R CB -0.752 29.356 30.300 -0.321 0.000 1.128 427 R HN 0.316 nan 8.270 nan 0.000 0.568 428 P HA -0.172 nan 4.420 nan 0.000 0.210 428 P C 0.661 178.050 177.300 0.148 0.000 1.185 428 P CA 1.239 64.339 63.100 -0.000 0.000 0.924 428 P CB 0.139 31.804 31.700 -0.059 0.000 0.786 429 E N -0.698 119.532 120.200 0.051 0.000 2.236 429 E HA -0.218 4.132 4.350 0.001 0.000 0.205 429 E C 0.988 177.567 176.600 -0.035 0.000 1.028 429 E CA 1.388 57.794 56.400 0.009 0.000 0.827 429 E CB -0.504 29.177 29.700 -0.032 0.000 0.735 429 E HN 0.321 nan 8.360 nan 0.000 0.470 430 R N -0.310 120.169 120.500 -0.034 0.000 2.642 430 R HA 0.099 4.439 4.340 0.001 0.000 0.435 430 R C 0.975 177.234 176.300 -0.067 0.000 1.046 430 R CA 0.050 56.092 56.100 -0.098 0.000 1.103 430 R CB -0.623 29.627 30.300 -0.084 0.000 1.425 430 R HN 0.301 nan 8.270 nan 0.000 0.586 431 Y N 0.298 120.605 120.300 0.011 0.000 2.215 431 Y HA -0.258 4.293 4.550 0.001 0.000 0.282 431 Y C 1.414 177.340 175.900 0.043 0.000 1.207 431 Y CA 1.117 59.242 58.100 0.040 0.000 1.196 431 Y CB -0.557 37.970 38.460 0.112 0.000 0.969 431 Y HN 0.106 nan 8.280 nan 0.000 0.528 432 L N 0.845 121.871 121.223 -0.329 0.000 2.552 432 L HA 0.082 4.422 4.340 0.001 0.000 0.227 432 L C 0.559 177.398 176.870 -0.051 0.000 1.146 432 L CA 0.531 55.267 54.840 -0.175 0.000 0.858 432 L CB -0.334 41.477 42.059 -0.414 0.000 0.969 432 L HN 0.226 nan 8.230 nan 0.000 0.451 433 E N 0.297 120.463 120.200 -0.057 0.000 2.289 433 E HA 0.075 4.425 4.350 0.001 0.000 0.278 433 E C -0.747 175.814 176.600 -0.065 0.000 1.032 433 E CA -0.325 56.035 56.400 -0.067 0.000 0.854 433 E CB 0.656 30.302 29.700 -0.090 0.000 1.046 433 E HN 0.067 nan 8.360 nan 0.000 0.409 434 D N 4.884 125.204 120.400 -0.134 0.000 2.411 434 D HA 0.184 4.825 4.640 0.001 0.000 0.225 434 D C -2.293 173.687 176.300 -0.533 0.000 1.156 434 D CA -1.477 52.324 54.000 -0.333 0.000 0.874 434 D CB 0.564 41.179 40.800 -0.309 0.000 1.034 434 D HN 0.069 nan 8.370 nan 0.000 0.502 435 P HA -0.043 nan 4.420 nan 0.000 0.264 435 P C 0.687 177.679 177.300 -0.514 0.000 1.179 435 P CA 0.186 63.016 63.100 -0.450 0.000 0.763 435 P CB 0.742 32.227 31.700 -0.359 0.000 0.806 436 T N -0.894 113.486 114.554 -0.289 0.000 2.975 436 T HA 0.213 4.563 4.350 0.001 0.000 0.257 436 T C 0.090 174.716 174.700 -0.123 0.000 1.003 436 T CA 0.403 62.371 62.100 -0.219 0.000 0.932 436 T CB -0.106 68.665 68.868 -0.162 0.000 1.087 436 T HN 0.499 nan 8.240 nan 0.000 0.512 437 S N 0.186 115.828 115.700 -0.096 0.000 2.546 437 S HA 0.438 4.909 4.470 0.001 0.000 0.272 437 S C -0.384 174.207 174.600 -0.015 0.000 1.140 437 S CA -0.927 57.250 58.200 -0.039 0.000 0.920 437 S CB 0.546 63.728 63.200 -0.030 0.000 1.083 437 S HN 0.306 nan 8.310 nan 0.000 0.476 438 C N 4.612 123.925 119.300 0.022 0.000 2.638 438 C HA 0.245 4.705 4.460 0.001 0.000 0.410 438 C C 1.679 176.698 174.990 0.049 0.000 1.404 438 C CA 0.253 59.302 59.018 0.053 0.000 1.651 438 C CB -1.241 26.546 27.740 0.078 0.000 2.495 438 C HN 1.079 nan 8.230 nan 0.000 0.606 439 E N 4.375 124.610 120.200 0.059 0.000 2.461 439 E HA 0.130 4.480 4.350 0.001 0.000 0.196 439 E C 1.065 177.707 176.600 0.069 0.000 1.129 439 E CA 0.758 57.193 56.400 0.058 0.000 0.902 439 E CB 0.037 29.777 29.700 0.068 0.000 0.963 439 E HN 0.810 nan 8.360 nan 0.000 0.503 440 A N 0.723 123.586 122.820 0.073 0.000 2.042 440 A HA 0.074 4.395 4.320 0.001 0.000 0.204 440 A C 2.082 179.699 177.584 0.056 0.000 1.712 440 A CA 0.406 52.486 52.037 0.073 0.000 0.890 440 A CB -0.217 18.837 19.000 0.089 0.000 1.176 440 A HN 0.578 nan 8.150 nan 0.000 0.573 441 C N -1.363 117.971 119.300 0.056 0.000 2.906 441 C HA 0.551 5.011 4.460 0.001 0.000 0.274 441 C C 1.782 176.794 174.990 0.037 0.000 1.257 441 C CA 0.291 59.336 59.018 0.045 0.000 1.695 441 C CB -0.543 27.226 27.740 0.048 0.000 1.958 441 C HN 1.823 nan 8.230 nan 0.000 0.619 442 G N 1.577 110.399 108.800 0.036 0.000 2.166 442 G HA2 -0.259 3.702 3.960 0.001 0.000 0.260 442 G HA3 -0.259 3.702 3.960 0.001 0.000 0.260 442 G C 0.227 175.140 174.900 0.022 0.000 0.986 442 G CA 0.741 45.855 45.100 0.024 0.000 0.683 442 G HN 1.047 nan 8.290 nan 0.000 0.527 443 S N 0.645 116.364 115.700 0.032 0.000 2.580 443 S HA 0.535 5.006 4.470 0.001 0.000 0.274 443 S C 0.139 174.754 174.600 0.025 0.000 1.329 443 S CA -0.546 57.672 58.200 0.031 0.000 1.036 443 S CB 1.420 64.646 63.200 0.043 0.000 0.919 443 S HN 0.161 nan 8.310 nan 0.000 0.515 444 P HA -0.001 nan 4.420 nan 0.000 0.221 444 P C 0.038 177.353 177.300 0.024 0.000 1.155 444 P CA 0.321 63.426 63.100 0.008 0.000 0.812 444 P CB 0.148 31.852 31.700 0.005 0.000 0.801 445 R N 0.972 121.498 120.500 0.043 0.000 2.446 445 R HA 0.311 4.652 4.340 0.001 0.000 0.314 445 R C 0.092 176.450 176.300 0.096 0.000 1.003 445 R CA 0.339 56.478 56.100 0.066 0.000 1.018 445 R CB -0.515 29.824 30.300 0.065 0.000 0.945 445 R HN 0.303 nan 8.270 nan 0.000 0.419 446 L N 2.647 123.946 121.223 0.128 0.000 2.424 446 L HA 0.481 4.821 4.340 0.001 0.000 0.258 446 L C -0.698 176.336 176.870 0.273 0.000 0.995 446 L CA -0.997 53.965 54.840 0.204 0.000 0.821 446 L CB 2.453 44.629 42.059 0.195 0.000 1.383 446 L HN 0.266 nan 8.230 nan 0.000 0.410 447 K N 2.036 122.613 120.400 0.295 0.000 2.507 447 K HA 0.423 4.743 4.320 0.001 0.000 0.251 447 K C -1.159 175.471 176.600 0.050 0.000 0.943 447 K CA -0.728 55.685 56.287 0.210 0.000 0.794 447 K CB 1.247 33.855 32.500 0.179 0.000 1.188 447 K HN 0.373 nan 8.250 nan 0.000 0.428 448 R N 2.225 122.571 120.500 -0.256 0.000 2.357 448 R HA 0.297 4.638 4.340 0.001 0.000 0.296 448 R C -0.458 175.537 176.300 -0.509 0.000 1.052 448 R CA -0.604 54.973 56.100 -0.871 0.000 0.988 448 R CB 0.332 29.570 30.300 -1.770 0.000 1.025 448 R HN 0.558 nan 8.270 nan 0.000 0.469 449 D N 1.762 121.832 120.400 -0.551 0.000 2.586 449 D HA -0.093 4.547 4.640 0.001 0.000 0.234 449 D C 0.042 176.248 176.300 -0.156 0.000 1.132 449 D CA 0.542 54.448 54.000 -0.157 0.000 0.860 449 D CB 0.614 41.364 40.800 -0.083 0.000 1.159 449 D HN 0.583 nan 8.370 nan 0.000 0.490 450 E N 2.072 122.248 120.200 -0.039 0.000 2.479 450 E HA -0.017 4.333 4.350 0.001 0.000 0.193 450 E C 0.168 176.761 176.600 -0.011 0.000 1.049 450 E CA -0.331 56.043 56.400 -0.043 0.000 0.870 450 E CB 0.437 30.135 29.700 -0.004 0.000 0.944 450 E HN 0.482 nan 8.360 nan 0.000 0.492 451 D N -0.153 120.230 120.400 -0.028 0.000 2.113 451 D HA 0.120 4.760 4.640 0.001 0.000 0.255 451 D C 0.050 176.306 176.300 -0.073 0.000 1.225 451 D CA 0.330 54.308 54.000 -0.037 0.000 0.972 451 D CB 0.652 41.403 40.800 -0.082 0.000 1.208 451 D HN -0.221 nan 8.370 nan 0.000 0.526 452 V N -1.068 118.764 119.914 -0.138 0.000 3.258 452 V HA 0.301 4.421 4.120 0.001 0.000 0.299 452 V C -0.982 174.973 176.094 -0.233 0.000 1.376 452 V CA -0.787 61.466 62.300 -0.079 0.000 1.063 452 V CB 1.840 33.723 31.823 0.100 0.000 1.103 452 V HN 0.287 nan 8.190 nan 0.000 0.451 453 F N 0.724 120.646 119.950 -0.046 0.000 2.408 453 F HA 0.478 5.005 4.527 0.001 0.000 0.325 453 F C 0.457 176.265 175.800 0.015 0.000 1.082 453 F CA -0.190 57.767 58.000 -0.071 0.000 1.032 453 F CB 0.780 39.803 39.000 0.038 0.000 1.259 453 F HN 0.505 nan 8.300 nan 0.000 0.503 454 D N 0.464 121.051 120.400 0.312 0.000 2.348 454 D HA 0.081 4.722 4.640 0.001 0.000 0.253 454 D C 1.000 177.483 176.300 0.305 0.000 1.161 454 D CA 0.259 54.458 54.000 0.331 0.000 0.876 454 D CB 1.289 42.414 40.800 0.542 0.000 1.160 454 D HN 0.504 nan 8.370 nan 0.000 0.459 455 T N 2.989 117.563 114.554 0.033 0.000 2.760 455 T HA -0.223 4.128 4.350 0.001 0.000 0.269 455 T C 1.423 176.021 174.700 -0.171 0.000 1.047 455 T CA 1.364 63.318 62.100 -0.244 0.000 1.139 455 T CB -0.308 68.153 68.868 -0.680 0.000 0.855 455 T HN 0.602 nan 8.240 nan 0.000 0.471 456 W N 0.025 121.472 121.300 0.245 0.000 2.595 456 W HA 0.167 4.827 4.660 0.001 0.000 0.257 456 W C 1.877 178.714 176.519 0.529 0.000 1.267 456 W CA -0.601 56.920 57.345 0.293 0.000 1.300 456 W CB -0.446 29.116 29.460 0.170 0.000 1.120 456 W HN 0.168 nan 8.180 nan 0.000 0.618 457 F N 1.495 121.841 119.950 0.660 0.000 2.163 457 F HA -0.190 4.337 4.527 0.001 0.000 0.297 457 F C 2.617 178.623 175.800 0.343 0.000 1.094 457 F CA 1.784 60.147 58.000 0.606 0.000 1.290 457 F CB -0.829 38.358 39.000 0.313 0.000 1.017 457 F HN -0.149 nan 8.300 nan 0.000 0.483 458 S N -1.009 114.768 115.700 0.129 0.000 2.377 458 S HA -0.124 4.347 4.470 0.001 0.000 0.223 458 S C 2.122 176.811 174.600 0.148 0.000 1.030 458 S CA 1.133 59.338 58.200 0.008 0.000 0.970 458 S CB -0.931 62.270 63.200 0.002 0.000 0.830 458 S HN 0.299 nan 8.310 nan 0.000 0.473 459 S N 2.461 118.290 115.700 0.214 0.000 2.419 459 S HA 0.111 4.582 4.470 0.001 0.000 0.235 459 S C 2.049 176.903 174.600 0.424 0.000 1.019 459 S CA 0.975 59.385 58.200 0.350 0.000 0.982 459 S CB -0.673 62.703 63.200 0.294 0.000 0.789 459 S HN 0.804 nan 8.310 nan 0.000 0.490 460 A N 0.082 123.087 122.820 0.307 0.000 2.167 460 A HA 0.213 4.534 4.320 0.001 0.000 0.214 460 A C 0.841 178.446 177.584 0.036 0.000 1.151 460 A CA 0.548 52.678 52.037 0.154 0.000 0.735 460 A CB -0.103 19.066 19.000 0.283 0.000 0.802 460 A HN 0.344 nan 8.150 nan 0.000 0.467 461 L N -0.423 120.837 121.223 0.062 0.000 2.701 461 L HA 0.292 4.632 4.340 0.001 0.000 0.237 461 L C 0.374 177.312 176.870 0.114 0.000 1.204 461 L CA -0.013 54.801 54.840 -0.043 0.000 1.109 461 L CB -0.321 41.681 42.059 -0.094 0.000 1.409 461 L HN 0.625 nan 8.230 nan 0.000 0.428 462 W N 1.978 123.156 121.300 -0.202 0.000 3.772 462 W HA 0.132 4.792 4.660 0.001 0.000 0.224 462 W C -1.018 175.272 176.519 -0.382 0.000 1.009 462 W CA 0.312 57.569 57.345 -0.148 0.000 1.889 462 W CB 0.365 29.836 29.460 0.018 0.000 0.909 462 W HN 0.168 nan 8.180 nan 0.000 0.794 463 P HA -0.116 nan 4.420 nan 0.000 0.236 463 P C 1.144 178.167 177.300 -0.461 0.000 1.172 463 P CA 1.389 63.708 63.100 -1.302 0.000 0.759 463 P CB -0.089 30.892 31.700 -1.197 0.000 0.843 464 L N -0.588 120.426 121.223 -0.348 0.000 2.519 464 L HA 0.064 4.404 4.340 0.001 0.000 0.194 464 L C 2.542 179.354 176.870 -0.097 0.000 1.072 464 L CA 1.047 55.730 54.840 -0.261 0.000 0.845 464 L CB -1.134 40.489 42.059 -0.726 0.000 1.138 464 L HN -0.090 nan 8.230 nan 0.000 0.487 465 S N -0.529 115.091 115.700 -0.133 0.000 2.507 465 S HA -0.121 4.349 4.470 0.001 0.000 0.235 465 S C 1.720 176.201 174.600 -0.199 0.000 0.988 465 S CA 1.265 59.422 58.200 -0.072 0.000 0.944 465 S CB -0.815 62.370 63.200 -0.026 0.000 0.762 465 S HN 0.560 nan 8.310 nan 0.000 0.526 466 T N -0.317 114.037 114.554 -0.332 0.000 3.067 466 T HA 0.317 4.667 4.350 0.001 0.000 0.257 466 T C 1.229 175.894 174.700 -0.059 0.000 1.105 466 T CA 0.036 61.939 62.100 -0.328 0.000 1.104 466 T CB -0.392 68.177 68.868 -0.499 0.000 0.925 466 T HN 0.443 nan 8.240 nan 0.000 0.498 467 L N 0.927 122.166 121.223 0.027 0.000 2.818 467 L HA 0.461 4.801 4.340 0.001 0.000 0.243 467 L C 1.596 178.505 176.870 0.065 0.000 1.185 467 L CA -0.051 54.856 54.840 0.113 0.000 0.988 467 L CB -0.448 41.734 42.059 0.206 0.000 1.292 467 L HN 0.488 nan 8.230 nan 0.000 0.519 468 G N 0.450 109.268 108.800 0.030 0.000 2.249 468 G HA2 -0.320 3.640 3.960 0.001 0.000 0.273 468 G HA3 -0.320 3.640 3.960 0.001 0.000 0.273 468 G C 0.495 175.400 174.900 0.009 0.000 1.036 468 G CA 0.644 45.749 45.100 0.008 0.000 0.824 468 G HN 0.799 nan 8.290 nan 0.000 0.504 469 W N 0.381 121.573 121.300 -0.179 0.000 2.538 469 W HA 0.088 4.748 4.660 0.001 0.000 0.254 469 W C -0.495 175.810 176.519 -0.356 0.000 1.249 469 W CA 1.196 58.389 57.345 -0.254 0.000 1.253 469 W CB -0.307 28.999 29.460 -0.257 0.000 1.130 469 W HN 0.360 nan 8.180 nan 0.000 0.618 470 P HA -0.213 nan 4.420 nan 0.000 0.217 470 P C 1.060 177.791 177.300 -0.948 0.000 1.148 470 P CA 1.848 64.487 63.100 -0.768 0.000 0.828 470 P CB 0.078 31.601 31.700 -0.295 0.000 0.783 471 E N -1.024 118.847 120.200 -0.549 0.000 3.497 471 E HA 0.179 4.529 4.350 0.001 0.000 0.384 471 E C 0.335 176.686 176.600 -0.414 0.000 0.451 471 E CA -0.059 56.090 56.400 -0.418 0.000 2.217 471 E CB -0.202 29.363 29.700 -0.225 0.000 2.185 471 E HN 0.020 nan 8.360 nan 0.000 0.461 472 E N 0.599 120.653 120.200 -0.244 0.000 4.032 472 E HA 0.089 4.440 4.350 0.001 0.000 0.202 472 E C -0.539 175.989 176.600 -0.121 0.000 1.093 472 E CA -0.001 56.289 56.400 -0.184 0.000 1.472 472 E CB 0.434 30.023 29.700 -0.185 0.000 1.197 472 E HN 0.219 nan 8.360 nan 0.000 0.396 473 T N -0.364 114.131 114.554 -0.098 0.000 2.560 473 T HA -0.099 4.251 4.350 0.001 0.000 0.354 473 T C 1.066 175.713 174.700 -0.088 0.000 1.051 473 T CA 0.970 63.024 62.100 -0.078 0.000 1.032 473 T CB 0.853 69.689 68.868 -0.052 0.000 1.057 473 T HN 0.462 nan 8.240 nan 0.000 0.529 474 E N -0.831 119.311 120.200 -0.097 0.000 2.216 474 E HA -0.027 4.324 4.350 0.001 0.000 0.192 474 E C 1.501 177.959 176.600 -0.236 0.000 0.973 474 E CA 0.426 56.744 56.400 -0.137 0.000 0.851 474 E CB 0.049 29.680 29.700 -0.115 0.000 0.804 474 E HN 0.578 nan 8.360 nan 0.000 0.477 475 D N 1.091 121.369 120.400 -0.202 0.000 2.087 475 D HA -0.212 4.428 4.640 0.001 0.000 0.192 475 D C 2.019 178.151 176.300 -0.280 0.000 0.993 475 D CA 0.857 54.660 54.000 -0.328 0.000 0.828 475 D CB -0.445 40.398 40.800 0.071 0.000 0.968 475 D HN 0.209 nan 8.370 nan 0.000 0.448 476 L N 0.551 121.746 121.223 -0.046 0.000 2.189 476 L HA -0.220 4.120 4.340 0.001 0.000 0.214 476 L C 2.162 179.028 176.870 -0.007 0.000 1.097 476 L CA 1.458 56.325 54.840 0.045 0.000 0.764 476 L CB -0.010 42.069 42.059 0.034 0.000 0.900 476 L HN -0.016 nan 8.230 nan 0.000 0.436 477 K N -0.616 119.719 120.400 -0.108 0.000 2.098 477 K HA -0.068 4.252 4.320 0.001 0.000 0.203 477 K C 1.991 178.512 176.600 -0.132 0.000 1.051 477 K CA 0.914 57.144 56.287 -0.095 0.000 0.957 477 K CB -0.021 32.416 32.500 -0.105 0.000 0.738 477 K HN 0.396 nan 8.250 nan 0.000 0.447 478 A N 1.122 123.741 122.820 -0.335 0.000 1.873 478 A HA -0.027 4.293 4.320 0.001 0.000 0.215 478 A C 0.695 178.142 177.584 -0.228 0.000 1.186 478 A CA 0.996 52.775 52.037 -0.429 0.000 0.616 478 A CB -0.268 18.224 19.000 -0.845 0.000 0.823 478 A HN 0.415 nan 8.150 nan 0.000 0.442 479 F N -3.571 116.414 119.950 0.058 0.000 2.872 479 F HA 0.556 5.084 4.527 0.001 0.000 0.365 479 F C 0.052 175.915 175.800 0.105 0.000 1.296 479 F CA -1.159 56.865 58.000 0.040 0.000 1.199 479 F CB 0.083 39.069 39.000 -0.023 0.000 1.687 479 F HN 0.124 nan 8.300 nan 0.000 0.604 480 Y N 2.641 123.054 120.300 0.189 0.000 2.265 480 Y HA 0.497 5.047 4.550 0.001 0.000 0.290 480 Y C -1.955 174.042 175.900 0.161 0.000 1.137 480 Y CA -0.480 57.724 58.100 0.173 0.000 1.147 480 Y CB -0.646 37.848 38.460 0.057 0.000 1.104 480 Y HN 0.093 nan 8.280 nan 0.000 0.514 481 P HA 0.129 nan 4.420 nan 0.000 0.258 481 P C -0.097 177.071 177.300 -0.220 0.000 1.214 481 P CA 0.553 63.343 63.100 -0.516 0.000 0.872 481 P CB 0.319 31.892 31.700 -0.212 0.000 0.890 482 G N 2.988 111.726 108.800 -0.104 0.000 2.559 482 G HA2 -0.067 3.893 3.960 0.001 0.000 0.235 482 G HA3 -0.067 3.893 3.960 0.001 0.000 0.235 482 G C 0.554 175.371 174.900 -0.138 0.000 1.266 482 G CA -0.300 44.776 45.100 -0.039 0.000 0.847 482 G HN 0.374 nan 8.290 nan 0.000 0.583 483 D N -0.810 119.377 120.400 -0.355 0.000 2.277 483 D HA 0.037 4.677 4.640 0.001 0.000 0.209 483 D C 0.359 176.510 176.300 -0.249 0.000 0.970 483 D CA 0.982 54.782 54.000 -0.333 0.000 0.874 483 D CB 0.785 41.248 40.800 -0.561 0.000 0.982 483 D HN 0.074 nan 8.370 nan 0.000 0.504 484 V N 1.635 121.361 119.914 -0.313 0.000 2.697 484 V HA 0.175 4.295 4.120 0.001 0.000 0.300 484 V C -1.144 174.821 176.094 -0.217 0.000 1.115 484 V CA -0.789 61.383 62.300 -0.213 0.000 0.912 484 V CB 2.821 34.575 31.823 -0.116 0.000 1.024 484 V HN -0.060 nan 8.190 nan 0.000 0.431 485 L N 6.632 127.674 121.223 -0.302 0.000 2.255 485 L HA 0.639 4.980 4.340 0.001 0.000 0.289 485 L C -0.398 176.348 176.870 -0.206 0.000 1.046 485 L CA 0.166 54.818 54.840 -0.313 0.000 0.816 485 L CB 1.379 42.939 42.059 -0.831 0.000 1.197 485 L HN 0.474 nan 8.230 nan 0.000 0.427 486 V N 4.771 124.654 119.914 -0.053 0.000 2.407 486 V HA 0.731 4.851 4.120 0.001 0.000 0.278 486 V C 0.279 176.434 176.094 0.101 0.000 1.037 486 V CA -0.145 62.159 62.300 0.007 0.000 0.900 486 V CB 1.153 32.978 31.823 0.003 0.000 0.983 486 V HN 0.886 nan 8.190 nan 0.000 0.459 487 T N 3.088 117.677 114.554 0.059 0.000 2.843 487 T HA 0.498 4.848 4.350 0.001 0.000 0.337 487 T C -0.374 174.047 174.700 -0.466 0.000 1.754 487 T CA 0.056 62.149 62.100 -0.012 0.000 1.052 487 T CB 1.357 70.268 68.868 0.071 0.000 1.588 487 T HN 1.010 nan 8.240 nan 0.000 0.493 488 G N 2.068 110.443 108.800 -0.707 0.000 2.353 488 G HA2 0.455 4.416 3.960 0.001 0.000 0.284 488 G HA3 0.455 4.416 3.960 0.001 0.000 0.284 488 G C 0.859 175.335 174.900 -0.707 0.000 1.172 488 G CA -0.171 44.276 45.100 -1.089 0.000 0.854 488 G HN 0.920 nan 8.290 nan 0.000 0.485 489 Y N 1.357 121.259 120.300 -0.662 0.000 2.321 489 Y HA -0.349 4.202 4.550 0.001 0.000 0.281 489 Y C 1.972 177.559 175.900 -0.522 0.000 1.200 489 Y CA 1.093 58.722 58.100 -0.786 0.000 1.269 489 Y CB -0.823 36.946 38.460 -1.151 0.000 0.972 489 Y HN 0.551 nan 8.280 nan 0.000 0.550 490 D N 2.099 122.444 120.400 -0.092 0.000 2.228 490 D HA -0.230 4.410 4.640 0.001 0.000 0.203 490 D C 1.294 177.499 176.300 -0.158 0.000 0.988 490 D CA 1.860 55.847 54.000 -0.022 0.000 0.864 490 D CB -0.737 40.026 40.800 -0.060 0.000 0.928 490 D HN 0.767 nan 8.370 nan 0.000 0.469 491 I N -2.486 117.962 120.570 -0.203 0.000 3.762 491 I HA 0.287 4.457 4.170 0.001 0.000 0.333 491 I C 1.414 177.409 176.117 -0.204 0.000 1.566 491 I CA -0.625 60.551 61.300 -0.206 0.000 1.129 491 I CB 0.287 38.234 38.000 -0.089 0.000 1.218 491 I HN -0.193 nan 8.210 nan 0.000 0.456 492 L N 0.164 121.170 121.223 -0.363 0.000 2.353 492 L HA 0.047 4.387 4.340 0.001 0.000 0.220 492 L C 1.314 177.981 176.870 -0.338 0.000 1.133 492 L CA 2.069 56.684 54.840 -0.375 0.000 0.798 492 L CB -0.357 41.365 42.059 -0.561 0.000 0.922 492 L HN 0.349 nan 8.230 nan 0.000 0.445 493 F N -1.181 118.488 119.950 -0.469 0.000 2.399 493 F HA 0.066 4.593 4.527 0.001 0.000 0.282 493 F C 1.850 177.174 175.800 -0.794 0.000 1.027 493 F CA 0.188 57.657 58.000 -0.886 0.000 1.333 493 F CB -0.035 38.381 39.000 -0.973 0.000 1.132 493 F HN -0.086 nan 8.300 nan 0.000 0.590 494 L N -2.713 118.230 121.223 -0.467 0.000 2.650 494 L HA 0.072 4.412 4.340 0.001 0.000 0.235 494 L C 1.079 177.810 176.870 -0.233 0.000 1.149 494 L CA 0.457 54.905 54.840 -0.654 0.000 0.887 494 L CB -0.422 40.816 42.059 -1.368 0.000 1.021 494 L HN 0.348 nan 8.230 nan 0.000 0.441 495 W N -0.227 120.922 121.300 -0.252 0.000 4.909 495 W HA 0.195 4.856 4.660 0.001 0.000 0.180 495 W C 1.944 178.473 176.519 0.016 0.000 2.269 495 W CA 0.442 57.795 57.345 0.013 0.000 2.171 495 W CB -0.169 29.347 29.460 0.094 0.000 1.191 495 W HN -0.304 nan 8.180 nan 0.000 0.907 496 V N 1.313 121.270 119.914 0.072 0.000 2.278 496 V HA -0.368 3.752 4.120 0.001 0.000 0.251 496 V C 2.094 178.219 176.094 0.052 0.000 1.062 496 V CA 2.703 64.986 62.300 -0.030 0.000 1.038 496 V CB -1.463 30.342 31.823 -0.029 0.000 0.646 496 V HN 0.243 nan 8.190 nan 0.000 0.447 497 S N -0.799 114.899 115.700 -0.004 0.000 2.338 497 S HA -0.176 4.294 4.470 0.001 0.000 0.218 497 S C 2.101 176.738 174.600 0.063 0.000 1.032 497 S CA 1.336 59.557 58.200 0.036 0.000 0.999 497 S CB -0.381 62.713 63.200 -0.176 0.000 0.905 497 S HN 0.391 nan 8.310 nan 0.000 0.439 498 R N 1.253 121.746 120.500 -0.013 0.000 2.140 498 R HA -0.028 4.312 4.340 0.001 0.000 0.250 498 R C 2.236 178.597 176.300 0.100 0.000 1.150 498 R CA 1.715 57.862 56.100 0.080 0.000 0.966 498 R CB -0.616 29.720 30.300 0.059 0.000 0.869 498 R HN 0.439 nan 8.270 nan 0.000 0.445 499 M N -0.463 119.125 119.600 -0.020 0.000 2.200 499 M HA -0.108 4.373 4.480 0.001 0.000 0.265 499 M C 1.698 177.947 176.300 -0.085 0.000 1.066 499 M CA 1.466 56.699 55.300 -0.113 0.000 1.127 499 M CB -0.082 32.339 32.600 -0.298 0.000 1.379 499 M HN 0.147 nan 8.290 nan 0.000 0.420 500 E N -0.544 119.678 120.200 0.037 0.000 2.204 500 E HA -0.161 4.190 4.350 0.001 0.000 0.195 500 E C 1.949 178.671 176.600 0.203 0.000 0.990 500 E CA 0.945 57.408 56.400 0.105 0.000 0.821 500 E CB -0.035 29.829 29.700 0.273 0.000 0.750 500 E HN 0.294 nan 8.360 nan 0.000 0.477 501 V N 0.548 120.568 119.914 0.177 0.000 2.239 501 V HA -0.244 3.877 4.120 0.001 0.000 0.242 501 V C 2.191 178.380 176.094 0.158 0.000 1.038 501 V CA 1.861 64.284 62.300 0.205 0.000 1.002 501 V CB -0.386 31.575 31.823 0.231 0.000 0.641 501 V HN 0.212 nan 8.190 nan 0.000 0.449 502 S N 0.562 116.324 115.700 0.102 0.000 2.381 502 S HA -0.265 4.206 4.470 0.001 0.000 0.230 502 S C 1.944 176.530 174.600 -0.023 0.000 1.052 502 S CA 1.736 59.946 58.200 0.016 0.000 1.068 502 S CB -0.947 62.244 63.200 -0.015 0.000 0.918 502 S HN 0.743 nan 8.310 nan 0.000 0.448 503 G N -0.815 107.947 108.800 -0.064 0.000 2.402 503 G HA2 -0.172 3.789 3.960 0.001 0.000 0.216 503 G HA3 -0.172 3.789 3.960 0.001 0.000 0.216 503 G C 1.130 175.991 174.900 -0.066 0.000 1.162 503 G CA 0.546 45.587 45.100 -0.099 0.000 0.777 503 G HN 0.561 nan 8.290 nan 0.000 0.539 504 Y N -1.041 119.277 120.300 0.029 0.000 2.475 504 Y HA 0.084 4.635 4.550 0.001 0.000 0.289 504 Y C 2.589 178.552 175.900 0.106 0.000 1.121 504 Y CA 1.184 59.325 58.100 0.069 0.000 1.257 504 Y CB 0.188 38.694 38.460 0.077 0.000 1.026 504 Y HN 0.391 nan 8.280 nan 0.000 0.555 505 H N -1.478 117.659 119.070 0.112 0.000 2.451 505 H HA 0.064 4.620 4.556 0.001 0.000 0.294 505 H C 1.251 176.605 175.328 0.044 0.000 1.028 505 H CA 1.274 57.331 56.048 0.016 0.000 1.349 505 H CB -0.410 29.277 29.762 -0.125 0.000 1.444 505 H HN 0.260 nan 8.280 nan 0.000 0.538 506 F N -0.793 119.066 119.950 -0.151 0.000 2.749 506 F HA 0.121 4.648 4.527 0.001 0.000 0.300 506 F C 1.148 176.902 175.800 -0.076 0.000 1.103 506 F CA -0.102 57.800 58.000 -0.163 0.000 1.342 506 F CB 0.595 39.515 39.000 -0.134 0.000 1.098 506 F HN 0.187 nan 8.300 nan 0.000 0.586 507 M N -1.251 118.379 119.600 0.049 0.000 2.109 507 M HA 0.292 4.772 4.480 0.001 0.000 0.372 507 M C 1.282 177.568 176.300 -0.025 0.000 0.840 507 M CA 0.640 55.899 55.300 -0.070 0.000 1.128 507 M CB 0.287 32.682 32.600 -0.342 0.000 2.136 507 M HN 0.040 nan 8.290 nan 0.000 0.723 508 G N 2.872 111.693 108.800 0.035 0.000 2.273 508 G HA2 -0.242 3.719 3.960 0.001 0.000 0.280 508 G HA3 -0.242 3.719 3.960 0.001 0.000 0.280 508 G C -0.128 174.790 174.900 0.030 0.000 1.047 508 G CA 1.092 46.248 45.100 0.093 0.000 0.869 508 G HN 0.542 nan 8.290 nan 0.000 0.502 509 E N -0.971 119.140 120.200 -0.148 0.000 2.388 509 E HA 0.326 4.676 4.350 0.001 0.000 0.282 509 E C 0.565 176.800 176.600 -0.608 0.000 1.026 509 E CA -1.158 55.083 56.400 -0.264 0.000 0.820 509 E CB 0.967 30.680 29.700 0.022 0.000 1.226 509 E HN 0.550 nan 8.360 nan 0.000 0.432 510 R N 2.541 122.590 120.500 -0.752 0.000 2.523 510 R HA 0.021 4.362 4.340 0.001 0.000 0.281 510 R C -2.059 173.861 176.300 -0.633 0.000 0.969 510 R CA -0.546 55.138 56.100 -0.694 0.000 1.093 510 R CB 0.013 30.154 30.300 -0.265 0.000 0.917 510 R HN 0.164 nan 8.270 nan 0.000 0.408 511 P HA -0.006 nan 4.420 nan 0.000 0.229 511 P C -0.843 175.828 177.300 -1.047 0.000 1.160 511 P CA 0.827 63.261 63.100 -1.109 0.000 0.777 511 P CB 0.120 31.003 31.700 -1.361 0.000 0.814 512 F N -4.093 115.689 119.950 -0.281 0.000 2.688 512 F HA 0.439 4.967 4.527 0.001 0.000 0.308 512 F C 0.712 176.407 175.800 -0.176 0.000 1.117 512 F CA -1.551 56.329 58.000 -0.201 0.000 0.976 512 F CB 0.552 39.471 39.000 -0.134 0.000 1.291 512 F HN -0.475 nan 8.300 nan 0.000 0.439 513 K N -0.252 120.195 120.400 0.079 0.000 2.243 513 K HA 0.229 4.549 4.320 0.001 0.000 0.201 513 K C -0.191 176.400 176.600 -0.015 0.000 1.051 513 K CA 1.062 57.362 56.287 0.023 0.000 0.970 513 K CB 0.116 32.610 32.500 -0.010 0.000 0.755 513 K HN 0.661 nan 8.250 nan 0.000 0.465 514 T N 1.133 115.640 114.554 -0.079 0.000 2.971 514 T HA 0.286 4.636 4.350 0.001 0.000 0.304 514 T C -1.127 173.365 174.700 -0.346 0.000 1.038 514 T CA -0.645 61.343 62.100 -0.187 0.000 1.007 514 T CB 2.535 71.331 68.868 -0.119 0.000 1.055 514 T HN -0.259 nan 8.240 nan 0.000 0.451 515 V N 4.211 123.804 119.914 -0.535 0.000 2.350 515 V HA 0.449 4.569 4.120 0.001 0.000 0.276 515 V C -0.386 175.488 176.094 -0.367 0.000 1.028 515 V CA -0.731 61.200 62.300 -0.616 0.000 0.860 515 V CB 1.220 32.506 31.823 -0.895 0.000 0.990 515 V HN 0.687 nan 8.190 nan 0.000 0.453 516 L N 7.174 128.237 121.223 -0.265 0.000 2.264 516 L HA 0.566 4.906 4.340 0.001 0.000 0.287 516 L C -0.764 176.017 176.870 -0.150 0.000 1.039 516 L CA 0.031 54.781 54.840 -0.150 0.000 0.829 516 L CB 0.955 42.946 42.059 -0.113 0.000 1.211 516 L HN 0.495 nan 8.230 nan 0.000 0.427 517 L N 6.374 127.504 121.223 -0.155 0.000 2.265 517 L HA 0.454 4.794 4.340 0.001 0.000 0.289 517 L C 0.025 176.795 176.870 -0.167 0.000 1.033 517 L CA -0.131 54.534 54.840 -0.292 0.000 0.814 517 L CB 0.744 42.452 42.059 -0.585 0.000 1.203 517 L HN 0.652 nan 8.230 nan 0.000 0.423 518 H N 1.819 120.772 119.070 -0.195 0.000 2.567 518 H HA 0.685 5.241 4.556 0.001 0.000 0.345 518 H C 0.183 175.360 175.328 -0.252 0.000 1.169 518 H CA -0.686 55.267 56.048 -0.159 0.000 1.227 518 H CB 1.179 30.848 29.762 -0.155 0.000 1.607 518 H HN 0.609 nan 8.280 nan 0.000 0.534 519 G N 0.684 109.446 108.800 -0.063 0.000 2.479 519 G HA2 0.339 4.300 3.960 0.001 0.000 0.275 519 G HA3 0.339 4.300 3.960 0.001 0.000 0.275 519 G C -0.262 174.490 174.900 -0.246 0.000 1.421 519 G CA -0.732 44.252 45.100 -0.193 0.000 1.059 519 G HN 0.572 nan 8.290 nan 0.000 0.535 520 L N -0.496 120.615 121.223 -0.186 0.000 2.354 520 L HA 0.532 4.873 4.340 0.001 0.000 0.269 520 L C 0.244 177.095 176.870 -0.032 0.000 1.005 520 L CA -1.257 53.511 54.840 -0.120 0.000 0.819 520 L CB 1.848 43.811 42.059 -0.159 0.000 1.311 520 L HN 0.461 nan 8.230 nan 0.000 0.423 521 V N 1.702 121.600 119.914 -0.028 0.000 2.686 521 V HA 0.711 4.831 4.120 0.001 0.000 0.295 521 V C -0.598 175.465 176.094 -0.052 0.000 1.057 521 V CA -0.323 61.959 62.300 -0.029 0.000 1.012 521 V CB 1.384 33.190 31.823 -0.029 0.000 1.006 521 V HN 0.634 nan 8.190 nan 0.000 0.477 522 L N 1.917 123.120 121.223 -0.034 0.000 2.506 522 L HA 0.693 5.033 4.340 0.001 0.000 0.257 522 L C -0.547 176.309 176.870 -0.024 0.000 0.964 522 L CA -1.022 53.794 54.840 -0.039 0.000 0.836 522 L CB 0.973 43.024 42.059 -0.013 0.000 1.384 522 L HN 0.859 nan 8.230 nan 0.000 0.410 523 D N 0.566 120.946 120.400 -0.034 0.000 2.461 523 D HA -0.077 4.564 4.640 0.001 0.000 0.231 523 D C 1.119 177.420 176.300 0.002 0.000 1.208 523 D CA 0.492 54.482 54.000 -0.017 0.000 0.879 523 D CB 0.620 41.408 40.800 -0.019 0.000 1.220 523 D HN 0.814 nan 8.370 nan 0.000 0.480 524 E N 1.689 121.895 120.200 0.010 0.000 2.187 524 E HA -0.331 4.020 4.350 0.001 0.000 0.199 524 E C 1.065 177.674 176.600 0.015 0.000 1.004 524 E CA 1.360 57.771 56.400 0.018 0.000 0.813 524 E CB -0.545 29.165 29.700 0.017 0.000 0.736 524 E HN 0.662 nan 8.360 nan 0.000 0.468 525 K N 0.211 120.617 120.400 0.009 0.000 2.519 525 K HA -0.023 4.298 4.320 0.001 0.000 0.196 525 K C 1.262 177.868 176.600 0.010 0.000 1.041 525 K CA 0.732 57.023 56.287 0.008 0.000 0.954 525 K CB -0.170 32.333 32.500 0.004 0.000 0.774 525 K HN 0.472 nan 8.250 nan 0.000 0.480 526 G N 1.994 110.802 108.800 0.013 0.000 2.195 526 G HA2 -0.303 3.657 3.960 0.001 0.000 0.246 526 G HA3 -0.303 3.657 3.960 0.001 0.000 0.246 526 G C -0.061 174.848 174.900 0.016 0.000 0.984 526 G CA 0.437 45.547 45.100 0.018 0.000 0.633 526 G HN 0.527 nan 8.290 nan 0.000 0.525 527 Q N 0.507 120.310 119.800 0.006 0.000 2.256 527 Q HA 0.675 5.015 4.340 0.001 0.000 0.257 527 Q C 0.331 176.324 176.000 -0.011 0.000 0.936 527 Q CA -0.703 55.102 55.803 0.004 0.000 0.903 527 Q CB 1.646 30.384 28.738 0.001 0.000 1.263 527 Q HN 0.300 nan 8.270 nan 0.000 0.440 528 K N 2.714 123.110 120.400 -0.006 0.000 2.578 528 K HA -0.127 4.193 4.320 0.001 0.000 0.279 528 K C -0.554 175.997 176.600 -0.081 0.000 0.983 528 K CA 0.239 56.508 56.287 -0.031 0.000 1.078 528 K CB 0.403 32.900 32.500 -0.007 0.000 0.852 528 K HN 0.860 nan 8.250 nan 0.000 0.490 529 M N 4.071 123.580 119.600 -0.152 0.000 2.146 529 M HA 0.101 4.582 4.480 0.001 0.000 0.357 529 M C -1.244 174.828 176.300 -0.380 0.000 1.261 529 M CA 0.369 55.499 55.300 -0.284 0.000 1.106 529 M CB 0.629 32.990 32.600 -0.398 0.000 1.612 529 M HN 0.745 nan 8.290 nan 0.000 0.470 530 S N 3.647 119.186 115.700 -0.269 0.000 2.578 530 S HA 0.327 4.797 4.470 0.001 0.000 0.285 530 S C 0.048 174.637 174.600 -0.018 0.000 1.126 530 S CA -1.139 56.988 58.200 -0.121 0.000 0.878 530 S CB 1.255 64.440 63.200 -0.026 0.000 1.091 530 S HN 0.746 nan 8.310 nan 0.000 0.450 531 K N 1.750 122.198 120.400 0.081 0.000 2.144 531 K HA -0.179 4.141 4.320 0.001 0.000 0.209 531 K C 2.446 179.069 176.600 0.038 0.000 1.047 531 K CA 2.209 58.544 56.287 0.080 0.000 0.927 531 K CB -0.846 31.720 32.500 0.110 0.000 0.716 531 K HN 0.859 nan 8.250 nan 0.000 0.454 532 S N 0.992 116.711 115.700 0.031 0.000 2.348 532 S HA -0.145 4.326 4.470 0.001 0.000 0.221 532 S C 1.907 176.510 174.600 0.005 0.000 1.033 532 S CA 1.214 59.424 58.200 0.016 0.000 1.010 532 S CB -0.142 63.069 63.200 0.020 0.000 0.891 532 S HN 0.103 nan 8.310 nan 0.000 0.442 533 K N 1.243 121.640 120.400 -0.003 0.000 2.283 533 K HA 0.225 4.546 4.320 0.001 0.000 0.202 533 K C 1.517 178.112 176.600 -0.009 0.000 1.048 533 K CA 0.809 57.090 56.287 -0.009 0.000 0.948 533 K CB -0.940 31.547 32.500 -0.021 0.000 0.742 533 K HN 0.726 nan 8.250 nan 0.000 0.458 534 G N 1.346 110.142 108.800 -0.007 0.000 2.159 534 G HA2 -0.286 3.674 3.960 0.001 0.000 0.256 534 G HA3 -0.286 3.674 3.960 0.001 0.000 0.256 534 G C -0.406 174.489 174.900 -0.009 0.000 0.977 534 G CA 0.334 45.434 45.100 -0.001 0.000 0.652 534 G HN 0.424 nan 8.290 nan 0.000 0.531 535 N N -0.110 118.573 118.700 -0.028 0.000 3.105 535 N HA 0.473 5.214 4.740 0.001 0.000 0.256 535 N C -0.242 175.225 175.510 -0.073 0.000 1.174 535 N CA -0.005 53.021 53.050 -0.040 0.000 1.030 535 N CB 0.867 39.328 38.487 -0.044 0.000 1.305 535 N HN 1.049 nan 8.380 nan 0.000 0.509 536 V N -1.386 118.503 119.914 -0.042 0.000 2.789 536 V HA 0.687 4.807 4.120 0.001 0.000 0.311 536 V C -0.334 175.764 176.094 0.007 0.000 1.073 536 V CA -1.039 61.231 62.300 -0.049 0.000 0.921 536 V CB 1.845 33.671 31.823 0.005 0.000 1.009 536 V HN 0.224 nan 8.190 nan 0.000 0.426 537 I N 2.563 123.144 120.570 0.018 0.000 2.436 537 I HA 0.393 4.563 4.170 0.001 0.000 0.289 537 I C -0.484 175.682 176.117 0.082 0.000 1.010 537 I CA -0.398 60.931 61.300 0.047 0.000 1.098 537 I CB 1.809 39.832 38.000 0.038 0.000 1.266 537 I HN 0.722 nan 8.210 nan 0.000 0.434 538 D N 9.071 129.521 120.400 0.083 0.000 2.458 538 D HA 0.047 4.688 4.640 0.001 0.000 0.243 538 D C -1.383 174.972 176.300 0.092 0.000 1.146 538 D CA -1.579 52.476 54.000 0.092 0.000 0.877 538 D CB 1.632 42.477 40.800 0.075 0.000 1.176 538 D HN 0.292 nan 8.370 nan 0.000 0.461 539 P HA -0.124 nan 4.420 nan 0.000 0.220 539 P C 1.656 179.013 177.300 0.094 0.000 1.148 539 P CA 0.768 63.927 63.100 0.099 0.000 0.803 539 P CB 0.301 32.068 31.700 0.111 0.000 0.782 540 L N -0.441 120.832 121.223 0.084 0.000 2.465 540 L HA -0.021 4.319 4.340 0.001 0.000 0.224 540 L C 2.713 179.623 176.870 0.067 0.000 1.145 540 L CA 0.881 55.763 54.840 0.070 0.000 0.834 540 L CB -0.780 41.312 42.059 0.056 0.000 0.944 540 L HN 0.032 nan 8.230 nan 0.000 0.451 541 E N 0.243 120.488 120.200 0.075 0.000 2.112 541 E HA -0.157 4.194 4.350 0.001 0.000 0.190 541 E C 2.241 178.907 176.600 0.111 0.000 0.979 541 E CA 0.848 57.293 56.400 0.076 0.000 0.814 541 E CB 0.244 29.989 29.700 0.074 0.000 0.762 541 E HN 0.357 nan 8.360 nan 0.000 0.460 542 M N 0.343 120.024 119.600 0.134 0.000 2.160 542 M HA -0.097 4.383 4.480 0.001 0.000 0.264 542 M C 2.498 178.930 176.300 0.219 0.000 1.073 542 M CA 0.679 56.105 55.300 0.210 0.000 1.142 542 M CB -1.143 31.534 32.600 0.127 0.000 1.358 542 M HN 0.085 nan 8.290 nan 0.000 0.422 543 V N 0.904 120.897 119.914 0.132 0.000 2.392 543 V HA -0.222 3.898 4.120 0.001 0.000 0.249 543 V C 2.362 178.488 176.094 0.054 0.000 1.059 543 V CA 2.170 64.526 62.300 0.094 0.000 1.051 543 V CB -0.453 31.405 31.823 0.059 0.000 0.658 543 V HN 0.472 nan 8.190 nan 0.000 0.455 544 E N 0.199 120.425 120.200 0.043 0.000 2.274 544 E HA -0.222 4.128 4.350 0.001 0.000 0.194 544 E C 2.305 178.893 176.600 -0.020 0.000 0.996 544 E CA 1.286 57.685 56.400 -0.001 0.000 0.840 544 E CB -0.087 29.614 29.700 0.002 0.000 0.772 544 E HN 0.711 nan 8.360 nan 0.000 0.491 545 R N -1.503 119.010 120.500 0.022 0.000 2.206 545 R HA -0.015 4.326 4.340 0.001 0.000 0.198 545 R C 0.901 177.036 176.300 -0.276 0.000 0.986 545 R CA 0.587 56.618 56.100 -0.115 0.000 1.029 545 R CB 0.277 30.524 30.300 -0.088 0.000 0.966 545 R HN 0.096 nan 8.270 nan 0.000 0.487 546 Y N -1.495 118.798 120.300 -0.012 0.000 2.435 546 Y HA 0.419 4.970 4.550 0.001 0.000 0.270 546 Y C 0.411 176.287 175.900 -0.041 0.000 1.093 546 Y CA 0.254 58.350 58.100 -0.007 0.000 1.226 546 Y CB 1.568 40.055 38.460 0.045 0.000 1.289 546 Y HN 0.175 nan 8.280 nan 0.000 0.529 547 G N 0.396 109.265 108.800 0.116 0.000 2.770 547 G HA2 0.173 4.133 3.960 0.001 0.000 0.686 547 G HA3 0.173 4.133 3.960 0.001 0.000 0.686 547 G C 0.588 175.525 174.900 0.062 0.000 1.180 547 G CA -0.418 44.685 45.100 0.005 0.000 0.767 547 G HN 0.476 nan 8.290 nan 0.000 0.646 548 A N 0.577 123.398 122.820 0.001 0.000 1.908 548 A HA -0.011 4.310 4.320 0.001 0.000 0.218 548 A C 2.027 179.744 177.584 0.223 0.000 1.181 548 A CA 2.521 54.620 52.037 0.104 0.000 0.627 548 A CB -0.339 18.697 19.000 0.059 0.000 0.818 548 A HN 0.762 nan 8.150 nan 0.000 0.445 549 D N -0.139 120.404 120.400 0.238 0.000 2.218 549 D HA -0.027 4.613 4.640 0.001 0.000 0.204 549 D C 2.185 178.650 176.300 0.276 0.000 0.976 549 D CA 1.268 55.448 54.000 0.300 0.000 0.853 549 D CB -0.215 40.755 40.800 0.284 0.000 0.939 549 D HN 0.456 nan 8.370 nan 0.000 0.481 550 A N 1.093 124.048 122.820 0.225 0.000 1.832 550 A HA -0.125 4.195 4.320 0.001 0.000 0.214 550 A C 2.168 179.893 177.584 0.236 0.000 1.200 550 A CA 0.861 53.046 52.037 0.247 0.000 0.610 550 A CB -0.964 18.168 19.000 0.221 0.000 0.842 550 A HN 0.220 nan 8.150 nan 0.000 0.444 551 L N 0.142 121.462 121.223 0.162 0.000 2.034 551 L HA -0.255 4.086 4.340 0.001 0.000 0.217 551 L C 2.468 179.419 176.870 0.135 0.000 1.077 551 L CA 2.359 57.267 54.840 0.112 0.000 0.769 551 L CB -0.659 41.465 42.059 0.108 0.000 0.890 551 L HN 0.404 nan 8.230 nan 0.000 0.435 552 R N -1.977 118.635 120.500 0.187 0.000 2.073 552 R HA -0.201 4.140 4.340 0.001 0.000 0.234 552 R C 2.257 178.663 176.300 0.178 0.000 1.134 552 R CA 1.882 58.085 56.100 0.172 0.000 0.952 552 R CB -0.601 29.829 30.300 0.217 0.000 0.850 552 R HN 0.388 nan 8.270 nan 0.000 0.433 553 F N 1.081 121.106 119.950 0.126 0.000 2.146 553 F HA -0.106 4.421 4.527 0.001 0.000 0.298 553 F C 2.213 178.072 175.800 0.098 0.000 1.096 553 F CA 1.117 59.208 58.000 0.153 0.000 1.275 553 F CB -0.397 38.752 39.000 0.247 0.000 1.008 553 F HN 0.007 nan 8.300 nan 0.000 0.480 554 A N 0.860 123.785 122.820 0.176 0.000 1.829 554 A HA -0.203 4.117 4.320 0.001 0.000 0.216 554 A C 2.260 179.789 177.584 -0.091 0.000 1.207 554 A CA 2.053 54.106 52.037 0.027 0.000 0.622 554 A CB -1.380 17.657 19.000 0.062 0.000 0.846 554 A HN 0.413 nan 8.150 nan 0.000 0.447 555 L N -0.610 120.581 121.223 -0.054 0.000 2.085 555 L HA -0.298 4.042 4.340 0.001 0.000 0.218 555 L C 2.576 179.353 176.870 -0.154 0.000 1.080 555 L CA 1.828 56.614 54.840 -0.091 0.000 0.776 555 L CB -0.679 41.348 42.059 -0.053 0.000 0.891 555 L HN 0.459 nan 8.230 nan 0.000 0.437 556 I N -2.030 118.435 120.570 -0.175 0.000 2.193 556 I HA -0.315 3.855 4.170 0.001 0.000 0.240 556 I C 2.531 178.466 176.117 -0.302 0.000 1.084 556 I CA 1.260 62.417 61.300 -0.238 0.000 1.365 556 I CB -0.421 37.435 38.000 -0.240 0.000 1.064 556 I HN 0.141 nan 8.210 nan 0.000 0.410 557 Y N 1.876 121.838 120.300 -0.564 0.000 2.096 557 Y HA -0.307 4.243 4.550 0.001 0.000 0.278 557 Y C 2.310 177.900 175.900 -0.516 0.000 1.192 557 Y CA 1.915 59.644 58.100 -0.618 0.000 1.143 557 Y CB -0.260 37.761 38.460 -0.732 0.000 0.963 557 Y HN 0.056 nan 8.280 nan 0.000 0.505 558 L N -0.459 120.582 121.223 -0.303 0.000 2.313 558 L HA 0.030 4.370 4.340 0.001 0.000 0.214 558 L C 1.593 178.309 176.870 -0.258 0.000 1.119 558 L CA 0.371 55.001 54.840 -0.350 0.000 0.809 558 L CB -0.646 41.215 42.059 -0.331 0.000 0.933 558 L HN 0.214 nan 8.230 nan 0.000 0.449 559 A N 1.273 123.957 122.820 -0.228 0.000 3.030 559 A HA 0.242 4.562 4.320 0.001 0.000 0.273 559 A C 0.469 177.948 177.584 -0.175 0.000 1.841 559 A CA -0.170 51.766 52.037 -0.168 0.000 1.479 559 A CB -1.167 17.733 19.000 -0.167 0.000 1.048 559 A HN 0.318 nan 8.150 nan 0.000 0.612 560 T N -1.138 113.315 114.554 -0.169 0.000 2.767 560 T HA 0.520 4.870 4.350 0.001 0.000 0.288 560 T C 1.053 175.703 174.700 -0.084 0.000 0.963 560 T CA 0.073 62.077 62.100 -0.161 0.000 1.019 560 T CB 1.437 70.187 68.868 -0.197 0.000 0.923 560 T HN 1.728 nan 8.240 nan 0.000 0.468 561 G N 1.955 110.713 108.800 -0.069 0.000 2.379 561 G HA2 0.047 4.008 3.960 0.001 0.000 0.297 561 G HA3 0.047 4.008 3.960 0.001 0.000 0.297 561 G C 1.161 176.091 174.900 0.050 0.000 1.004 561 G CA 0.334 45.425 45.100 -0.015 0.000 0.921 561 G HN 2.314 nan 8.290 nan 0.000 0.511 562 G N -2.212 106.623 108.800 0.058 0.000 2.168 562 G HA2 -0.272 3.689 3.960 0.001 0.000 0.257 562 G HA3 -0.272 3.689 3.960 0.001 0.000 0.257 562 G C 0.444 175.443 174.900 0.165 0.000 0.997 562 G CA 1.057 46.237 45.100 0.134 0.000 0.708 562 G HN 0.936 nan 8.290 nan 0.000 0.520 563 Q N 0.607 120.460 119.800 0.089 0.000 2.317 563 Q HA 0.320 4.660 4.340 0.001 0.000 0.229 563 Q C 0.692 176.738 176.000 0.077 0.000 0.984 563 Q CA -0.279 55.577 55.803 0.088 0.000 0.911 563 Q CB 0.670 29.424 28.738 0.027 0.000 1.217 563 Q HN 0.487 nan 8.270 nan 0.000 0.501 564 D N 0.559 121.015 120.400 0.093 0.000 2.414 564 D HA 0.332 4.972 4.640 0.001 0.000 0.251 564 D C -0.002 176.312 176.300 0.023 0.000 1.252 564 D CA 0.020 54.058 54.000 0.064 0.000 0.999 564 D CB 0.778 41.633 40.800 0.092 0.000 1.093 564 D HN 0.307 nan 8.370 nan 0.000 0.515 565 I N 0.703 121.281 120.570 0.013 0.000 2.497 565 I HA 0.163 4.333 4.170 0.001 0.000 0.284 565 I C -0.011 176.120 176.117 0.022 0.000 1.060 565 I CA -0.622 60.679 61.300 0.001 0.000 1.071 565 I CB 1.955 39.938 38.000 -0.028 0.000 1.216 565 I HN 0.059 nan 8.210 nan 0.000 0.442 566 R N 5.909 126.439 120.500 0.050 0.000 2.308 566 R HA 0.356 4.696 4.340 0.001 0.000 0.305 566 R C -0.650 175.701 176.300 0.085 0.000 1.053 566 R CA -0.741 55.395 56.100 0.060 0.000 0.957 566 R CB 1.090 31.432 30.300 0.070 0.000 1.022 566 R HN 0.516 nan 8.270 nan 0.000 0.461 567 L N 4.386 125.642 121.223 0.056 0.000 2.584 567 L HA 0.060 4.401 4.340 0.001 0.000 0.272 567 L C -0.938 175.983 176.870 0.085 0.000 1.195 567 L CA 1.148 56.025 54.840 0.061 0.000 0.920 567 L CB 0.382 42.458 42.059 0.029 0.000 1.173 567 L HN 0.684 nan 8.230 nan 0.000 0.489 568 D N 4.185 124.660 120.400 0.126 0.000 2.328 568 D HA 0.149 4.790 4.640 0.001 0.000 0.243 568 D C 0.962 177.297 176.300 0.057 0.000 1.324 568 D CA -0.396 53.658 54.000 0.090 0.000 0.966 568 D CB 0.495 41.372 40.800 0.129 0.000 1.324 568 D HN 0.559 nan 8.370 nan 0.000 0.549 569 L N 1.946 123.183 121.223 0.024 0.000 2.211 569 L HA -0.231 4.109 4.340 0.001 0.000 0.216 569 L C 2.201 179.068 176.870 -0.005 0.000 1.092 569 L CA 1.020 55.867 54.840 0.011 0.000 0.767 569 L CB -0.225 41.886 42.059 0.088 0.000 0.894 569 L HN 0.308 nan 8.230 nan 0.000 0.437 570 R N -0.685 119.774 120.500 -0.068 0.000 2.139 570 R HA -0.200 4.140 4.340 0.001 0.000 0.243 570 R C 2.021 178.238 176.300 -0.138 0.000 1.145 570 R CA 2.019 58.024 56.100 -0.159 0.000 0.976 570 R CB -0.348 29.735 30.300 -0.361 0.000 0.866 570 R HN 0.431 nan 8.270 nan 0.000 0.449 571 W N -0.436 120.840 121.300 -0.040 0.000 2.467 571 W HA -0.000 4.660 4.660 0.001 0.000 0.275 571 W C 1.521 177.991 176.519 -0.082 0.000 1.239 571 W CA 0.044 57.350 57.345 -0.064 0.000 1.266 571 W CB 0.061 29.489 29.460 -0.053 0.000 1.112 571 W HN 0.076 nan 8.180 nan 0.000 0.576 572 L N 0.185 121.428 121.223 0.033 0.000 2.156 572 L HA -0.145 4.195 4.340 0.001 0.000 0.208 572 L C 2.177 179.021 176.870 -0.043 0.000 1.095 572 L CA 1.245 55.925 54.840 -0.267 0.000 0.770 572 L CB -0.566 40.867 42.059 -1.043 0.000 0.914 572 L HN 0.082 nan 8.230 nan 0.000 0.439 573 E N -0.305 119.986 120.200 0.151 0.000 2.028 573 E HA -0.262 4.089 4.350 0.001 0.000 0.191 573 E C 2.171 178.934 176.600 0.273 0.000 0.988 573 E CA 0.958 57.545 56.400 0.311 0.000 0.799 573 E CB -0.248 29.588 29.700 0.226 0.000 0.755 573 E HN 0.294 nan 8.360 nan 0.000 0.447 574 M N 1.696 121.429 119.600 0.223 0.000 2.147 574 M HA -0.304 4.176 4.480 0.001 0.000 0.253 574 M C 2.296 178.835 176.300 0.398 0.000 1.075 574 M CA 2.390 57.852 55.300 0.270 0.000 1.085 574 M CB -0.743 32.034 32.600 0.296 0.000 1.305 574 M HN 0.152 nan 8.290 nan 0.000 0.409 575 A N -0.007 123.040 122.820 0.379 0.000 1.858 575 A HA -0.231 4.089 4.320 0.001 0.000 0.216 575 A C 2.264 180.063 177.584 0.358 0.000 1.190 575 A CA 2.178 54.479 52.037 0.439 0.000 0.617 575 A CB -0.875 18.376 19.000 0.419 0.000 0.827 575 A HN 0.680 nan 8.150 nan 0.000 0.443 576 R N -0.187 120.504 120.500 0.318 0.000 2.097 576 R HA -0.232 4.109 4.340 0.001 0.000 0.236 576 R C 1.831 178.287 176.300 0.260 0.000 1.135 576 R CA 2.205 58.467 56.100 0.270 0.000 0.934 576 R CB -0.518 29.971 30.300 0.316 0.000 0.846 576 R HN 0.498 nan 8.270 nan 0.000 0.431 577 N N -0.010 118.885 118.700 0.325 0.000 2.137 577 N HA -0.209 4.532 4.740 0.001 0.000 0.190 577 N C 1.367 177.139 175.510 0.436 0.000 1.017 577 N CA 1.458 54.730 53.050 0.372 0.000 0.859 577 N CB -0.487 38.262 38.487 0.437 0.000 1.002 577 N HN 0.286 nan 8.380 nan 0.000 0.428 578 F N 1.153 121.304 119.950 0.335 0.000 2.234 578 F HA 0.176 4.704 4.527 0.001 0.000 0.296 578 F C 2.066 177.832 175.800 -0.057 0.000 1.089 578 F CA 0.759 58.873 58.000 0.190 0.000 1.343 578 F CB -0.649 38.519 39.000 0.280 0.000 1.040 578 F HN 0.016 nan 8.300 nan 0.000 0.498 579 A N 0.583 123.298 122.820 -0.176 0.000 1.865 579 A HA -0.294 4.026 4.320 0.001 0.000 0.217 579 A C 2.251 179.783 177.584 -0.087 0.000 1.191 579 A CA 2.039 53.941 52.037 -0.225 0.000 0.623 579 A CB -1.511 17.535 19.000 0.076 0.000 0.826 579 A HN 0.593 nan 8.150 nan 0.000 0.444 580 N N -0.973 117.779 118.700 0.086 0.000 2.137 580 N HA -0.260 4.480 4.740 0.001 0.000 0.190 580 N C 1.859 177.381 175.510 0.020 0.000 1.017 580 N CA 1.717 54.869 53.050 0.169 0.000 0.859 580 N CB -0.091 38.501 38.487 0.174 0.000 1.002 580 N HN 0.436 nan 8.380 nan 0.000 0.428 581 K N 1.029 121.298 120.400 -0.218 0.000 2.025 581 K HA -0.115 4.205 4.320 0.001 0.000 0.207 581 K C 1.978 178.345 176.600 -0.389 0.000 1.049 581 K CA 0.774 56.777 56.287 -0.472 0.000 0.933 581 K CB -0.605 31.162 32.500 -1.222 0.000 0.714 581 K HN 0.151 nan 8.250 nan 0.000 0.438 582 L N 0.387 121.337 121.223 -0.455 0.000 2.013 582 L HA -0.203 4.138 4.340 0.001 0.000 0.212 582 L C 2.131 178.900 176.870 -0.168 0.000 1.073 582 L CA 2.063 56.690 54.840 -0.354 0.000 0.753 582 L CB -1.138 40.602 42.059 -0.532 0.000 0.890 582 L HN 0.416 nan 8.230 nan 0.000 0.432 583 Y N 1.027 121.162 120.300 -0.275 0.000 2.030 583 Y HA -0.333 4.217 4.550 0.001 0.000 0.274 583 Y C 2.531 178.352 175.900 -0.131 0.000 1.153 583 Y CA 2.304 60.264 58.100 -0.233 0.000 1.115 583 Y CB -0.930 37.387 38.460 -0.238 0.000 0.969 583 Y HN 0.393 nan 8.280 nan 0.000 0.488 584 N N 0.656 119.153 118.700 -0.338 0.000 2.061 584 N HA -0.257 4.484 4.740 0.001 0.000 0.193 584 N C 2.035 177.410 175.510 -0.225 0.000 1.030 584 N CA 1.777 54.598 53.050 -0.382 0.000 0.856 584 N CB -0.876 37.493 38.487 -0.196 0.000 1.023 584 N HN 0.568 nan 8.380 nan 0.000 0.424 585 A N 1.068 123.804 122.820 -0.141 0.000 1.917 585 A HA -0.114 4.207 4.320 0.001 0.000 0.219 585 A C 2.415 180.037 177.584 0.062 0.000 1.182 585 A CA 2.287 54.323 52.037 -0.003 0.000 0.633 585 A CB -0.815 18.249 19.000 0.106 0.000 0.819 585 A HN 0.386 nan 8.150 nan 0.000 0.448 586 A N -0.628 122.169 122.820 -0.038 0.000 1.898 586 A HA -0.107 4.213 4.320 0.001 0.000 0.216 586 A C 2.217 179.734 177.584 -0.113 0.000 1.181 586 A CA 1.674 53.686 52.037 -0.043 0.000 0.620 586 A CB -0.488 18.477 19.000 -0.058 0.000 0.819 586 A HN 0.562 nan 8.150 nan 0.000 0.442 587 R N -1.470 118.872 120.500 -0.264 0.000 2.096 587 R HA -0.198 4.142 4.340 0.001 0.000 0.240 587 R C 1.937 178.159 176.300 -0.130 0.000 1.139 587 R CA 2.046 57.986 56.100 -0.267 0.000 0.952 587 R CB -0.544 29.481 30.300 -0.458 0.000 0.854 587 R HN 0.493 nan 8.270 nan 0.000 0.436 588 F N 0.717 120.552 119.950 -0.191 0.000 2.043 588 F HA -0.238 4.290 4.527 0.001 0.000 0.297 588 F C 1.922 177.649 175.800 -0.123 0.000 1.121 588 F CA 1.881 59.793 58.000 -0.146 0.000 1.199 588 F CB -0.646 38.262 39.000 -0.154 0.000 0.968 588 F HN -0.157 nan 8.300 nan 0.000 0.478 589 V N 0.953 120.738 119.914 -0.215 0.000 2.392 589 V HA -0.315 3.805 4.120 0.001 0.000 0.249 589 V C 2.539 178.464 176.094 -0.281 0.000 1.059 589 V CA 2.003 64.128 62.300 -0.292 0.000 1.051 589 V CB -0.859 30.936 31.823 -0.048 0.000 0.658 589 V HN 0.420 nan 8.190 nan 0.000 0.455 590 L N -0.829 120.277 121.223 -0.194 0.000 2.005 590 L HA -0.156 4.184 4.340 0.001 0.000 0.207 590 L C 2.390 179.155 176.870 -0.175 0.000 1.072 590 L CA 1.564 56.312 54.840 -0.154 0.000 0.744 590 L CB -0.516 41.480 42.059 -0.104 0.000 0.895 590 L HN 0.269 nan 8.230 nan 0.000 0.433 591 L N -1.197 119.907 121.223 -0.199 0.000 2.265 591 L HA -0.168 4.172 4.340 0.001 0.000 0.215 591 L C 2.638 179.365 176.870 -0.238 0.000 1.117 591 L CA 0.557 55.290 54.840 -0.179 0.000 0.782 591 L CB -0.325 41.645 42.059 -0.148 0.000 0.914 591 L HN 0.195 nan 8.230 nan 0.000 0.441 592 S N -0.154 115.303 115.700 -0.404 0.000 2.335 592 S HA -0.117 4.354 4.470 0.001 0.000 0.217 592 S C 1.990 176.454 174.600 -0.226 0.000 1.032 592 S CA 0.797 58.740 58.200 -0.428 0.000 0.985 592 S CB -0.162 62.578 63.200 -0.767 0.000 0.896 592 S HN 0.383 nan 8.310 nan 0.000 0.445 593 R N 1.877 122.227 120.500 -0.249 0.000 2.395 593 R HA -0.018 4.322 4.340 0.001 0.000 0.203 593 R C 1.046 177.309 176.300 -0.060 0.000 1.076 593 R CA 0.726 56.720 56.100 -0.177 0.000 1.059 593 R CB -0.632 29.547 30.300 -0.200 0.000 0.860 593 R HN 0.337 nan 8.270 nan 0.000 0.476 594 E N 0.901 121.063 120.200 -0.063 0.000 2.010 594 E HA -0.136 4.215 4.350 0.001 0.000 0.246 594 E C 1.068 177.676 176.600 0.014 0.000 0.885 594 E CA 2.257 58.637 56.400 -0.032 0.000 1.195 594 E CB -0.816 28.857 29.700 -0.044 0.000 0.821 594 E HN 0.370 nan 8.360 nan 0.000 0.605 595 G N -0.717 108.095 108.800 0.020 0.000 3.518 595 G HA2 0.066 4.026 3.960 0.001 0.000 0.273 595 G HA3 0.066 4.026 3.960 0.001 0.000 0.273 595 G C -0.224 174.705 174.900 0.049 0.000 1.199 595 G CA -0.465 44.649 45.100 0.023 0.000 0.899 595 G HN 0.273 nan 8.290 nan 0.000 0.533 596 F N 1.211 121.120 119.950 -0.067 0.000 2.613 596 F HA 0.023 4.550 4.527 0.001 0.000 0.373 596 F C 0.366 176.139 175.800 -0.045 0.000 1.085 596 F CA 0.462 58.424 58.000 -0.063 0.000 1.309 596 F CB 0.838 39.795 39.000 -0.071 0.000 0.986 596 F HN 0.106 nan 8.300 nan 0.000 0.592 597 Q N 6.157 125.434 119.800 -0.873 0.000 2.523 597 Q HA 0.417 4.757 4.340 0.001 0.000 0.251 597 Q C -0.205 175.269 176.000 -0.876 0.000 1.033 597 Q CA -0.585 54.849 55.803 -0.616 0.000 0.746 597 Q CB 1.255 29.768 28.738 -0.375 0.000 1.189 597 Q HN 0.807 nan 8.270 nan 0.000 0.508 598 A N 2.110 124.612 122.820 -0.529 0.000 2.565 598 A HA 0.065 4.385 4.320 0.001 0.000 0.237 598 A C 0.761 178.249 177.584 -0.160 0.000 1.053 598 A CA 0.650 52.572 52.037 -0.191 0.000 0.755 598 A CB 0.338 19.410 19.000 0.120 0.000 0.980 598 A HN 0.696 nan 8.150 nan 0.000 0.506 599 K N -0.195 120.156 120.400 -0.082 0.000 2.588 599 K HA 0.130 4.450 4.320 0.001 0.000 0.216 599 K C -0.378 176.224 176.600 0.004 0.000 1.382 599 K CA 0.730 56.984 56.287 -0.055 0.000 1.008 599 K CB 0.573 33.020 32.500 -0.089 0.000 1.138 599 K HN 0.983 nan 8.250 nan 0.000 0.619 600 E N -0.601 119.629 120.200 0.051 0.000 2.403 600 E HA 0.147 4.498 4.350 0.001 0.000 0.280 600 E C -1.776 174.891 176.600 0.111 0.000 1.101 600 E CA -0.820 55.620 56.400 0.067 0.000 0.856 600 E CB 1.063 30.794 29.700 0.053 0.000 1.303 600 E HN -0.170 nan 8.360 nan 0.000 0.441 601 D N 1.590 122.051 120.400 0.101 0.000 2.468 601 D HA 0.244 4.884 4.640 0.001 0.000 0.272 601 D C -1.266 175.099 176.300 0.108 0.000 1.221 601 D CA -0.120 53.964 54.000 0.141 0.000 0.860 601 D CB 1.273 42.151 40.800 0.130 0.000 1.190 601 D HN 0.420 nan 8.370 nan 0.000 0.509 602 T N 2.302 116.896 114.554 0.067 0.000 2.779 602 T HA 0.440 4.791 4.350 0.001 0.000 0.280 602 T C -2.540 172.013 174.700 -0.246 0.000 0.987 602 T CA -1.443 60.635 62.100 -0.037 0.000 0.966 602 T CB 2.030 70.893 68.868 -0.007 0.000 0.933 602 T HN 0.085 nan 8.240 nan 0.000 0.442 603 P HA 0.181 nan 4.420 nan 0.000 0.268 603 P C -0.120 176.982 177.300 -0.330 0.000 1.204 603 P CA -0.154 62.445 63.100 -0.834 0.000 0.768 603 P CB 0.349 31.807 31.700 -0.403 0.000 0.842 604 T N 0.720 115.147 114.554 -0.211 0.000 2.856 604 T HA 0.295 4.646 4.350 0.001 0.000 0.283 604 T C 0.927 175.682 174.700 0.090 0.000 1.008 604 T CA -0.874 61.236 62.100 0.018 0.000 0.997 604 T CB 0.756 69.695 68.868 0.118 0.000 0.992 604 T HN 0.231 nan 8.240 nan 0.000 0.454 605 L N 2.931 124.227 121.223 0.121 0.000 2.013 605 L HA -0.033 4.307 4.340 0.001 0.000 0.212 605 L C 2.884 179.863 176.870 0.180 0.000 1.073 605 L CA 2.307 57.242 54.840 0.158 0.000 0.753 605 L CB -0.931 41.243 42.059 0.192 0.000 0.890 605 L HN 0.981 nan 8.230 nan 0.000 0.432 606 A N -0.345 122.618 122.820 0.238 0.000 1.917 606 A HA -0.290 4.030 4.320 0.001 0.000 0.219 606 A C 1.827 179.500 177.584 0.149 0.000 1.182 606 A CA 2.209 54.362 52.037 0.193 0.000 0.633 606 A CB -0.787 18.484 19.000 0.452 0.000 0.819 606 A HN 0.564 nan 8.150 nan 0.000 0.448 607 D N -0.525 120.036 120.400 0.269 0.000 2.077 607 D HA -0.127 4.513 4.640 0.001 0.000 0.193 607 D C 2.125 178.435 176.300 0.017 0.000 0.989 607 D CA 1.269 55.394 54.000 0.208 0.000 0.831 607 D CB -0.515 40.536 40.800 0.418 0.000 0.979 607 D HN 0.390 nan 8.370 nan 0.000 0.449 608 R N -0.322 120.235 120.500 0.095 0.000 2.185 608 R HA -0.178 4.162 4.340 0.001 0.000 0.247 608 R C 2.282 178.573 176.300 -0.015 0.000 1.159 608 R CA 0.821 56.952 56.100 0.052 0.000 0.988 608 R CB -0.477 29.868 30.300 0.075 0.000 0.871 608 R HN 0.262 nan 8.270 nan 0.000 0.458 609 F N 0.726 120.549 119.950 -0.212 0.000 2.118 609 F HA -0.119 4.409 4.527 0.001 0.000 0.293 609 F C 2.317 177.897 175.800 -0.368 0.000 1.102 609 F CA 1.233 59.047 58.000 -0.311 0.000 1.247 609 F CB -0.228 38.421 39.000 -0.585 0.000 1.017 609 F HN -0.170 nan 8.300 nan 0.000 0.475 610 M N 0.773 119.953 119.600 -0.700 0.000 2.229 610 M HA -0.060 4.420 4.480 0.001 0.000 0.264 610 M C 2.199 178.197 176.300 -0.503 0.000 1.063 610 M CA 1.490 56.301 55.300 -0.815 0.000 1.114 610 M CB -0.494 31.350 32.600 -1.260 0.000 1.387 610 M HN 0.048 nan 8.290 nan 0.000 0.420 611 R N -1.309 118.978 120.500 -0.355 0.000 2.073 611 R HA -0.136 4.205 4.340 0.001 0.000 0.234 611 R C 2.474 178.650 176.300 -0.207 0.000 1.134 611 R CA 1.766 57.744 56.100 -0.203 0.000 0.952 611 R CB -0.794 29.441 30.300 -0.109 0.000 0.850 611 R HN 0.475 nan 8.270 nan 0.000 0.433 612 S N 0.379 115.936 115.700 -0.238 0.000 2.356 612 S HA -0.106 4.364 4.470 0.001 0.000 0.223 612 S C 1.944 176.393 174.600 -0.252 0.000 1.032 612 S CA 0.966 59.045 58.200 -0.201 0.000 1.005 612 S CB -0.033 63.066 63.200 -0.168 0.000 0.867 612 S HN 0.157 nan 8.310 nan 0.000 0.449 613 R N 0.560 120.795 120.500 -0.441 0.000 2.293 613 R HA 0.050 4.391 4.340 0.001 0.000 0.219 613 R C 1.894 178.057 176.300 -0.228 0.000 1.091 613 R CA 0.418 56.278 56.100 -0.401 0.000 1.004 613 R CB -0.949 28.926 30.300 -0.708 0.000 0.865 613 R HN 0.439 nan 8.270 nan 0.000 0.469 614 L N -0.241 120.856 121.223 -0.209 0.000 2.168 614 L HA 0.072 4.412 4.340 0.001 0.000 0.203 614 L C 1.923 178.735 176.870 -0.097 0.000 1.078 614 L CA 1.459 56.217 54.840 -0.137 0.000 0.780 614 L CB -0.514 41.460 42.059 -0.142 0.000 0.939 614 L HN -0.071 nan 8.230 nan 0.000 0.451 615 S N -0.303 115.341 115.700 -0.094 0.000 2.370 615 S HA -0.225 4.245 4.470 0.001 0.000 0.226 615 S C 2.078 176.657 174.600 -0.035 0.000 1.033 615 S CA 1.375 59.541 58.200 -0.057 0.000 1.011 615 S CB -0.327 62.843 63.200 -0.050 0.000 0.852 615 S HN 0.320 nan 8.310 nan 0.000 0.457 616 R N 1.283 121.755 120.500 -0.048 0.000 2.103 616 R HA -0.073 4.267 4.340 0.001 0.000 0.242 616 R C 2.267 178.567 176.300 0.000 0.000 1.142 616 R CA 1.788 57.874 56.100 -0.023 0.000 0.960 616 R CB -1.197 29.079 30.300 -0.040 0.000 0.858 616 R HN 0.420 nan 8.270 nan 0.000 0.439 617 G N -0.977 107.816 108.800 -0.011 0.000 2.414 617 G HA2 -0.188 3.772 3.960 0.001 0.000 0.215 617 G HA3 -0.188 3.772 3.960 0.001 0.000 0.215 617 G C 1.480 176.404 174.900 0.040 0.000 1.188 617 G CA 0.808 45.919 45.100 0.020 0.000 0.783 617 G HN 0.231 nan 8.290 nan 0.000 0.537 618 V N 0.849 120.767 119.914 0.007 0.000 2.287 618 V HA -0.225 3.895 4.120 0.001 0.000 0.248 618 V C 2.594 178.750 176.094 0.103 0.000 1.053 618 V CA 2.508 64.823 62.300 0.025 0.000 1.027 618 V CB -0.433 31.365 31.823 -0.041 0.000 0.646 618 V HN 0.629 nan 8.190 nan 0.000 0.447 619 E N 0.156 120.399 120.200 0.072 0.000 2.005 619 E HA -0.290 4.061 4.350 0.001 0.000 0.198 619 E C 2.188 178.851 176.600 0.104 0.000 1.010 619 E CA 2.035 58.487 56.400 0.087 0.000 0.825 619 E CB -0.254 29.477 29.700 0.052 0.000 0.769 619 E HN 0.679 nan 8.360 nan 0.000 0.456 620 E N 0.210 120.458 120.200 0.080 0.000 2.068 620 E HA -0.255 4.096 4.350 0.001 0.000 0.207 620 E C 2.262 178.928 176.600 0.110 0.000 1.032 620 E CA 1.930 58.377 56.400 0.077 0.000 0.839 620 E CB -0.302 29.436 29.700 0.062 0.000 0.758 620 E HN 0.432 nan 8.360 nan 0.000 0.457 621 I N 0.809 121.473 120.570 0.158 0.000 2.286 621 I HA -0.261 3.909 4.170 0.001 0.000 0.248 621 I C 2.429 178.754 176.117 0.347 0.000 1.115 621 I CA 1.142 62.590 61.300 0.246 0.000 1.392 621 I CB -0.545 37.646 38.000 0.318 0.000 1.065 621 I HN 0.165 nan 8.210 nan 0.000 0.418 622 T N 1.024 115.788 114.554 0.349 0.000 2.643 622 T HA -0.175 4.175 4.350 0.001 0.000 0.264 622 T C 2.147 176.945 174.700 0.164 0.000 1.045 622 T CA 1.565 63.871 62.100 0.344 0.000 1.155 622 T CB -0.456 68.647 68.868 0.393 0.000 0.863 622 T HN 0.480 nan 8.240 nan 0.000 0.420 623 A N 1.243 124.139 122.820 0.126 0.000 1.958 623 A HA -0.100 4.220 4.320 0.001 0.000 0.221 623 A C 2.338 179.928 177.584 0.010 0.000 1.178 623 A CA 1.420 53.494 52.037 0.061 0.000 0.642 623 A CB -1.015 18.017 19.000 0.052 0.000 0.816 623 A HN 0.495 nan 8.150 nan 0.000 0.453 624 L N -2.616 118.614 121.223 0.011 0.000 2.093 624 L HA -0.188 4.152 4.340 0.001 0.000 0.208 624 L C 2.546 179.301 176.870 -0.191 0.000 1.085 624 L CA 1.456 56.246 54.840 -0.083 0.000 0.755 624 L CB -0.495 41.511 42.059 -0.089 0.000 0.904 624 L HN 0.502 nan 8.230 nan 0.000 0.435 625 Y N 0.078 120.193 120.300 -0.309 0.000 2.263 625 Y HA -0.180 4.370 4.550 0.001 0.000 0.292 625 Y C 2.689 178.297 175.900 -0.487 0.000 1.130 625 Y CA 0.957 58.699 58.100 -0.597 0.000 1.179 625 Y CB 0.057 37.756 38.460 -1.269 0.000 0.998 625 Y HN 0.104 nan 8.280 nan 0.000 0.532 626 E N -0.278 119.836 120.200 -0.144 0.000 2.204 626 E HA -0.139 4.212 4.350 0.001 0.000 0.195 626 E C 1.743 178.298 176.600 -0.075 0.000 0.990 626 E CA 1.010 57.368 56.400 -0.070 0.000 0.821 626 E CB -0.249 29.454 29.700 0.005 0.000 0.750 626 E HN 0.389 nan 8.360 nan 0.000 0.477 627 A N 0.268 123.031 122.820 -0.095 0.000 2.379 627 A HA 0.207 4.528 4.320 0.001 0.000 0.236 627 A C 0.987 178.501 177.584 -0.117 0.000 1.272 627 A CA -0.260 51.728 52.037 -0.083 0.000 0.886 627 A CB -0.245 18.713 19.000 -0.070 0.000 0.962 627 A HN 0.271 nan 8.150 nan 0.000 0.504 628 L N -0.584 120.540 121.223 -0.165 0.000 4.001 628 L HA -0.205 4.135 4.340 0.001 0.000 0.413 628 L C -0.176 176.563 176.870 -0.218 0.000 1.185 628 L CA 0.763 55.488 54.840 -0.192 0.000 0.963 628 L CB -1.303 40.681 42.059 -0.125 0.000 1.976 628 L HN 0.404 nan 8.230 nan 0.000 0.939 629 D N 0.447 120.695 120.400 -0.253 0.000 3.139 629 D HA 0.280 4.920 4.640 0.001 0.000 0.268 629 D C 1.362 177.446 176.300 -0.360 0.000 1.322 629 D CA -0.212 53.637 54.000 -0.251 0.000 0.940 629 D CB 0.249 40.934 40.800 -0.192 0.000 1.050 629 D HN 0.302 nan 8.370 nan 0.000 0.503 630 L N 0.459 121.425 121.223 -0.428 0.000 2.012 630 L HA -0.201 4.140 4.340 0.001 0.000 0.210 630 L C 2.460 179.083 176.870 -0.412 0.000 1.073 630 L CA 1.376 55.897 54.840 -0.532 0.000 0.748 630 L CB -0.661 41.120 42.059 -0.463 0.000 0.891 630 L HN 0.230 nan 8.230 nan 0.000 0.431 631 A N -0.376 122.232 122.820 -0.352 0.000 1.948 631 A HA -0.304 4.017 4.320 0.001 0.000 0.220 631 A C 2.230 179.567 177.584 -0.412 0.000 1.177 631 A CA 2.164 53.969 52.037 -0.386 0.000 0.636 631 A CB -0.486 18.303 19.000 -0.351 0.000 0.815 631 A HN 0.429 nan 8.150 nan 0.000 0.449 632 Q N -0.474 119.130 119.800 -0.327 0.000 1.994 632 Q HA 0.105 4.445 4.340 0.001 0.000 0.198 632 Q C 2.194 178.068 176.000 -0.210 0.000 0.976 632 Q CA 2.099 57.740 55.803 -0.269 0.000 0.828 632 Q CB -0.801 27.817 28.738 -0.200 0.000 0.894 632 Q HN 0.509 nan 8.270 nan 0.000 0.432 633 A N 0.834 123.521 122.820 -0.223 0.000 1.940 633 A HA -0.255 4.066 4.320 0.001 0.000 0.221 633 A C 2.321 179.893 177.584 -0.021 0.000 1.190 633 A CA 2.632 54.590 52.037 -0.132 0.000 0.647 633 A CB -1.457 17.345 19.000 -0.329 0.000 0.821 633 A HN 0.558 nan 8.150 nan 0.000 0.457 634 A N 0.557 123.310 122.820 -0.111 0.000 1.892 634 A HA -0.252 4.068 4.320 0.001 0.000 0.218 634 A C 2.207 179.927 177.584 0.226 0.000 1.188 634 A CA 2.097 54.132 52.037 -0.002 0.000 0.631 634 A CB -0.570 18.211 19.000 -0.366 0.000 0.822 634 A HN 0.776 nan 8.150 nan 0.000 0.447 635 R N -1.474 119.032 120.500 0.010 0.000 2.276 635 R HA 0.147 4.487 4.340 0.001 0.000 0.196 635 R C 1.225 177.626 176.300 0.169 0.000 0.961 635 R CA 0.847 57.031 56.100 0.139 0.000 1.024 635 R CB -0.141 30.040 30.300 -0.199 0.000 0.940 635 R HN 0.391 nan 8.270 nan 0.000 0.480 636 E N 1.054 121.323 120.200 0.114 0.000 2.230 636 E HA -0.048 4.303 4.350 0.001 0.000 0.192 636 E C 1.765 178.486 176.600 0.203 0.000 0.987 636 E CA 0.663 57.141 56.400 0.130 0.000 0.841 636 E CB 0.361 30.107 29.700 0.076 0.000 0.783 636 E HN 0.175 nan 8.360 nan 0.000 0.481 637 V N 0.196 120.270 119.914 0.266 0.000 2.878 637 V HA -0.144 3.976 4.120 0.001 0.000 0.250 637 V C 1.948 178.245 176.094 0.337 0.000 1.075 637 V CA 0.853 63.335 62.300 0.303 0.000 1.096 637 V CB -0.305 31.738 31.823 0.366 0.000 0.724 637 V HN 0.229 nan 8.190 nan 0.000 0.467 638 Y N 1.437 121.830 120.300 0.155 0.000 2.114 638 Y HA -0.255 4.296 4.550 0.001 0.000 0.284 638 Y C 2.472 178.440 175.900 0.113 0.000 1.143 638 Y CA 2.580 60.586 58.100 -0.157 0.000 1.135 638 Y CB -0.113 38.273 38.460 -0.124 0.000 0.980 638 Y HN 0.436 nan 8.280 nan 0.000 0.499 639 E N 0.638 121.083 120.200 0.408 0.000 2.026 639 E HA -0.286 4.064 4.350 0.001 0.000 0.206 639 E C 2.097 178.874 176.600 0.294 0.000 1.028 639 E CA 1.849 58.449 56.400 0.334 0.000 0.845 639 E CB -1.044 28.807 29.700 0.251 0.000 0.772 639 E HN 0.445 nan 8.360 nan 0.000 0.462 640 L N -0.072 121.299 121.223 0.246 0.000 1.976 640 L HA -0.251 4.090 4.340 0.001 0.000 0.223 640 L C 2.524 179.555 176.870 0.269 0.000 1.081 640 L CA 2.256 57.227 54.840 0.217 0.000 0.784 640 L CB -1.043 41.106 42.059 0.151 0.000 0.896 640 L HN 0.222 nan 8.230 nan 0.000 0.438 641 V N -1.387 118.684 119.914 0.262 0.000 2.231 641 V HA -0.338 3.782 4.120 0.001 0.000 0.248 641 V C 2.133 178.444 176.094 0.362 0.000 1.054 641 V CA 2.361 64.833 62.300 0.287 0.000 1.015 641 V CB -1.012 30.999 31.823 0.314 0.000 0.638 641 V HN 0.673 nan 8.190 nan 0.000 0.444 642 W N 0.765 122.155 121.300 0.150 0.000 2.408 642 W HA -0.069 4.591 4.660 0.001 0.000 0.311 642 W C 2.688 179.299 176.519 0.153 0.000 1.190 642 W CA 1.930 59.327 57.345 0.087 0.000 1.321 642 W CB -0.569 28.800 29.460 -0.151 0.000 1.143 642 W HN 0.294 nan 8.180 nan 0.000 0.501 643 S N -0.020 115.985 115.700 0.507 0.000 2.470 643 S HA -0.054 4.416 4.470 0.001 0.000 0.225 643 S C 1.342 176.256 174.600 0.523 0.000 1.006 643 S CA 0.765 59.232 58.200 0.446 0.000 0.934 643 S CB 0.193 63.608 63.200 0.359 0.000 0.778 643 S HN 0.199 nan 8.310 nan 0.000 0.517 644 E N -0.542 119.948 120.200 0.484 0.000 2.364 644 E HA 0.241 4.591 4.350 0.001 0.000 0.203 644 E C 1.206 178.148 176.600 0.571 0.000 0.888 644 E CA 0.190 56.907 56.400 0.528 0.000 0.989 644 E CB -0.074 29.843 29.700 0.361 0.000 0.985 644 E HN 0.471 nan 8.360 nan 0.000 0.499 645 F N 0.853 120.992 119.950 0.315 0.000 2.222 645 F HA -0.002 4.526 4.527 0.001 0.000 0.285 645 F C 2.161 178.097 175.800 0.228 0.000 1.068 645 F CA 0.769 58.946 58.000 0.295 0.000 1.265 645 F CB -0.341 38.778 39.000 0.198 0.000 1.087 645 F HN -0.051 nan 8.300 nan 0.000 0.511 646 C N 0.534 119.945 119.300 0.185 0.000 2.489 646 C HA -0.092 4.368 4.460 0.001 0.000 0.279 646 C C 2.400 177.368 174.990 -0.037 0.000 1.266 646 C CA 1.092 60.082 59.018 -0.047 0.000 1.707 646 C CB -0.981 26.714 27.740 -0.075 0.000 2.059 646 C HN 0.448 nan 8.230 nan 0.000 0.481 647 D N -0.792 119.661 120.400 0.087 0.000 2.123 647 D HA -0.129 4.511 4.640 0.001 0.000 0.196 647 D C 1.734 177.828 176.300 -0.343 0.000 0.992 647 D CA 1.427 55.367 54.000 -0.099 0.000 0.833 647 D CB -0.120 40.679 40.800 -0.001 0.000 0.954 647 D HN 0.694 nan 8.370 nan 0.000 0.455 648 W N -1.567 119.869 121.300 0.226 0.000 3.127 648 W HA 0.103 4.764 4.660 0.001 0.000 0.248 648 W C 1.976 178.693 176.519 0.331 0.000 1.058 648 W CA -0.516 57.011 57.345 0.304 0.000 1.783 648 W CB -0.710 29.017 29.460 0.445 0.000 1.030 648 W HN -0.174 nan 8.180 nan 0.000 0.653 649 Y N 1.236 121.744 120.300 0.348 0.000 2.089 649 Y HA -0.228 4.323 4.550 0.001 0.000 0.282 649 Y C 2.192 178.064 175.900 -0.047 0.000 1.139 649 Y CA 1.486 59.675 58.100 0.149 0.000 1.123 649 Y CB -1.041 37.481 38.460 0.104 0.000 0.980 649 Y HN -0.183 nan 8.280 nan 0.000 0.493 650 L N 0.622 121.584 121.223 -0.435 0.000 1.971 650 L HA -0.264 4.076 4.340 0.001 0.000 0.215 650 L C 2.495 179.138 176.870 -0.378 0.000 1.072 650 L CA 2.182 56.658 54.840 -0.606 0.000 0.758 650 L CB -1.052 40.590 42.059 -0.694 0.000 0.889 650 L HN 0.208 nan 8.230 nan 0.000 0.433 651 E N -0.525 119.553 120.200 -0.204 0.000 2.049 651 E HA -0.246 4.104 4.350 0.001 0.000 0.198 651 E C 2.195 178.889 176.600 0.157 0.000 1.007 651 E CA 1.529 57.925 56.400 -0.006 0.000 0.809 651 E CB -0.689 28.999 29.700 -0.020 0.000 0.749 651 E HN 0.519 nan 8.360 nan 0.000 0.450 652 A N 0.851 123.807 122.820 0.226 0.000 2.186 652 A HA -0.031 4.290 4.320 0.001 0.000 0.219 652 A C 2.192 179.887 177.584 0.184 0.000 1.159 652 A CA 1.766 54.002 52.037 0.332 0.000 0.680 652 A CB -0.298 19.043 19.000 0.568 0.000 0.787 652 A HN 0.250 nan 8.150 nan 0.000 0.467 653 A N -0.695 122.124 122.820 -0.001 0.000 2.115 653 A HA 0.165 4.486 4.320 0.001 0.000 0.211 653 A C 1.895 179.457 177.584 -0.037 0.000 1.169 653 A CA 0.888 52.886 52.037 -0.066 0.000 0.787 653 A CB -0.130 18.684 19.000 -0.310 0.000 0.858 653 A HN 0.449 nan 8.150 nan 0.000 0.474 654 K N 0.222 120.570 120.400 -0.085 0.000 2.074 654 K HA -0.155 4.165 4.320 0.001 0.000 0.209 654 K C -0.886 175.579 176.600 -0.225 0.000 1.048 654 K CA 2.074 58.274 56.287 -0.144 0.000 0.926 654 K CB -1.032 31.264 32.500 -0.340 0.000 0.713 654 K HN 0.345 nan 8.250 nan 0.000 0.444 655 P HA -0.165 nan 4.420 nan 0.000 0.214 655 P C 1.067 178.336 177.300 -0.052 0.000 1.162 655 P CA 1.727 64.708 63.100 -0.198 0.000 0.879 655 P CB -0.004 31.631 31.700 -0.108 0.000 0.786 656 A N -0.727 122.099 122.820 0.010 0.000 1.986 656 A HA -0.198 4.122 4.320 0.001 0.000 0.220 656 A C 2.193 179.834 177.584 0.095 0.000 1.171 656 A CA 1.573 53.648 52.037 0.063 0.000 0.640 656 A CB -1.714 17.341 19.000 0.093 0.000 0.811 656 A HN 0.131 nan 8.150 nan 0.000 0.451 657 L N -1.310 119.964 121.223 0.084 0.000 2.131 657 L HA -0.131 4.209 4.340 0.001 0.000 0.206 657 L C 2.508 179.464 176.870 0.145 0.000 1.087 657 L CA 1.418 56.363 54.840 0.174 0.000 0.767 657 L CB -0.380 41.745 42.059 0.110 0.000 0.917 657 L HN 0.348 nan 8.230 nan 0.000 0.441 658 K N 0.475 120.893 120.400 0.031 0.000 2.097 658 K HA -0.098 4.222 4.320 0.001 0.000 0.206 658 K C 1.948 178.537 176.600 -0.019 0.000 1.049 658 K CA 1.326 57.605 56.287 -0.014 0.000 0.933 658 K CB -0.244 32.219 32.500 -0.063 0.000 0.717 658 K HN 0.229 nan 8.250 nan 0.000 0.442 659 A N 0.940 123.763 122.820 0.004 0.000 2.239 659 A HA 0.122 4.442 4.320 0.001 0.000 0.209 659 A C 1.127 178.710 177.584 -0.003 0.000 1.171 659 A CA 0.716 52.754 52.037 0.002 0.000 0.768 659 A CB -0.732 18.282 19.000 0.024 0.000 0.790 659 A HN 0.410 nan 8.150 nan 0.000 0.478 660 G N 0.050 108.849 108.800 -0.003 0.000 2.333 660 G HA2 -0.262 3.699 3.960 0.001 0.000 0.296 660 G HA3 -0.262 3.699 3.960 0.001 0.000 0.296 660 G C -0.197 174.792 174.900 0.147 0.000 1.059 660 G CA 0.301 45.324 45.100 -0.128 0.000 1.050 660 G HN 0.603 nan 8.290 nan 0.000 0.508 661 N N 0.171 119.088 118.700 0.362 0.000 2.422 661 N HA 0.617 5.358 4.740 0.001 0.000 0.266 661 N C 1.229 176.979 175.510 0.401 0.000 1.007 661 N CA 0.258 53.495 53.050 0.312 0.000 0.941 661 N CB 1.321 39.923 38.487 0.191 0.000 1.115 661 N HN 0.393 nan 8.380 nan 0.000 0.492 662 A N 3.660 126.683 122.820 0.339 0.000 1.930 662 A HA -0.140 4.180 4.320 0.001 0.000 0.215 662 A C 1.918 179.551 177.584 0.083 0.000 1.176 662 A CA 0.877 53.025 52.037 0.185 0.000 0.632 662 A CB -0.796 18.331 19.000 0.212 0.000 0.819 662 A HN 0.889 nan 8.150 nan 0.000 0.445 663 H N 0.293 119.396 119.070 0.056 0.000 2.422 663 H HA -0.106 4.450 4.556 0.001 0.000 0.298 663 H C 1.834 177.190 175.328 0.046 0.000 1.098 663 H CA 2.075 58.151 56.048 0.047 0.000 1.315 663 H CB -0.128 29.673 29.762 0.065 0.000 1.382 663 H HN 0.410 nan 8.280 nan 0.000 0.523 664 T N 1.476 116.166 114.554 0.226 0.000 2.706 664 T HA -0.100 4.250 4.350 0.001 0.000 0.255 664 T C 2.177 176.868 174.700 -0.014 0.000 1.048 664 T CA 0.868 63.063 62.100 0.159 0.000 1.153 664 T CB -0.550 68.394 68.868 0.128 0.000 0.865 664 T HN 0.179 nan 8.240 nan 0.000 0.414 665 L N 1.567 122.685 121.223 -0.175 0.000 2.137 665 L HA -0.122 4.218 4.340 0.001 0.000 0.213 665 L C 2.400 179.135 176.870 -0.224 0.000 1.085 665 L CA 1.744 56.377 54.840 -0.345 0.000 0.760 665 L CB -0.507 41.051 42.059 -0.834 0.000 0.893 665 L HN 0.106 nan 8.230 nan 0.000 0.434 666 R N -1.084 119.315 120.500 -0.167 0.000 2.078 666 R HA -0.148 4.192 4.340 0.001 0.000 0.224 666 R C 2.072 178.328 176.300 -0.072 0.000 1.149 666 R CA 2.211 58.232 56.100 -0.132 0.000 0.916 666 R CB -0.818 29.393 30.300 -0.149 0.000 0.821 666 R HN 0.395 nan 8.270 nan 0.000 0.434 667 T N 2.626 117.149 114.554 -0.051 0.000 2.684 667 T HA -0.208 4.142 4.350 0.001 0.000 0.267 667 T C 1.798 176.615 174.700 0.196 0.000 1.032 667 T CA 1.437 63.576 62.100 0.065 0.000 1.155 667 T CB -0.214 68.758 68.868 0.175 0.000 0.857 667 T HN 0.135 nan 8.240 nan 0.000 0.457 668 L N 0.988 122.315 121.223 0.175 0.000 2.012 668 L HA -0.103 4.237 4.340 0.001 0.000 0.210 668 L C 2.600 179.577 176.870 0.178 0.000 1.073 668 L CA 1.954 56.929 54.840 0.227 0.000 0.748 668 L CB -1.211 40.872 42.059 0.040 0.000 0.891 668 L HN 0.473 nan 8.230 nan 0.000 0.431 669 E N -0.311 119.911 120.200 0.035 0.000 2.077 669 E HA -0.221 4.129 4.350 0.001 0.000 0.193 669 E C 1.970 178.561 176.600 -0.016 0.000 0.989 669 E CA 1.175 57.565 56.400 -0.016 0.000 0.800 669 E CB -0.029 29.623 29.700 -0.081 0.000 0.746 669 E HN 0.589 nan 8.360 nan 0.000 0.452 670 E N 0.622 120.816 120.200 -0.010 0.000 2.047 670 E HA -0.137 4.213 4.350 0.001 0.000 0.191 670 E C 2.346 178.935 176.600 -0.019 0.000 0.987 670 E CA 1.140 57.526 56.400 -0.025 0.000 0.799 670 E CB -0.047 29.633 29.700 -0.034 0.000 0.752 670 E HN 0.090 nan 8.360 nan 0.000 0.449 671 V N 1.822 121.752 119.914 0.027 0.000 2.407 671 V HA -0.224 3.896 4.120 0.001 0.000 0.248 671 V C 2.345 178.343 176.094 -0.161 0.000 1.055 671 V CA 1.281 63.563 62.300 -0.029 0.000 1.049 671 V CB -0.419 31.482 31.823 0.130 0.000 0.662 671 V HN 0.198 nan 8.190 nan 0.000 0.455 672 L N 0.853 122.021 121.223 -0.091 0.000 2.131 672 L HA -0.041 4.299 4.340 0.001 0.000 0.210 672 L C 2.350 179.170 176.870 -0.084 0.000 1.092 672 L CA 2.109 56.858 54.840 -0.151 0.000 0.759 672 L CB -1.036 41.036 42.059 0.021 0.000 0.903 672 L HN 0.216 nan 8.230 nan 0.000 0.435 673 A N -0.799 122.002 122.820 -0.032 0.000 1.828 673 A HA -0.163 4.157 4.320 0.001 0.000 0.215 673 A C 2.222 179.827 177.584 0.034 0.000 1.203 673 A CA 2.312 54.395 52.037 0.076 0.000 0.614 673 A CB -1.282 17.749 19.000 0.052 0.000 0.844 673 A HN 0.243 nan 8.150 nan 0.000 0.445 674 V N 0.457 120.335 119.914 -0.061 0.000 2.277 674 V HA -0.354 3.766 4.120 0.001 0.000 0.253 674 V C 2.612 178.588 176.094 -0.197 0.000 1.067 674 V CA 2.302 64.508 62.300 -0.157 0.000 1.047 674 V CB -1.041 30.682 31.823 -0.167 0.000 0.649 674 V HN 0.560 nan 8.190 nan 0.000 0.447 675 L N -0.941 120.168 121.223 -0.190 0.000 2.012 675 L HA -0.220 4.120 4.340 0.001 0.000 0.210 675 L C 2.445 179.242 176.870 -0.121 0.000 1.073 675 L CA 1.654 56.383 54.840 -0.186 0.000 0.748 675 L CB -0.579 41.303 42.059 -0.295 0.000 0.891 675 L HN 0.320 nan 8.230 nan 0.000 0.431 676 L N -0.685 120.486 121.223 -0.086 0.000 2.131 676 L HA -0.202 4.138 4.340 0.001 0.000 0.210 676 L C 2.760 179.570 176.870 -0.101 0.000 1.092 676 L CA 1.003 55.815 54.840 -0.046 0.000 0.759 676 L CB -0.558 41.537 42.059 0.060 0.000 0.903 676 L HN 0.242 nan 8.230 nan 0.000 0.435 677 K N 0.508 120.794 120.400 -0.190 0.000 1.969 677 K HA -0.155 4.166 4.320 0.001 0.000 0.216 677 K C 2.110 178.554 176.600 -0.259 0.000 1.048 677 K CA 1.350 57.461 56.287 -0.295 0.000 0.948 677 K CB -0.853 31.385 32.500 -0.438 0.000 0.726 677 K HN 0.228 nan 8.250 nan 0.000 0.442 678 L N 1.161 122.145 121.223 -0.397 0.000 2.010 678 L HA -0.258 4.082 4.340 0.001 0.000 0.219 678 L C 2.587 179.543 176.870 0.143 0.000 1.077 678 L CA 1.148 55.844 54.840 -0.240 0.000 0.773 678 L CB -0.585 41.392 42.059 -0.136 0.000 0.892 678 L HN 0.207 nan 8.230 nan 0.000 0.436 679 L N -0.754 120.546 121.223 0.128 0.000 2.201 679 L HA -0.248 4.092 4.340 0.001 0.000 0.212 679 L C 2.514 179.521 176.870 0.229 0.000 1.105 679 L CA 1.631 56.603 54.840 0.220 0.000 0.775 679 L CB -1.222 40.917 42.059 0.133 0.000 0.913 679 L HN 0.505 nan 8.230 nan 0.000 0.440 680 H N 0.850 119.963 119.070 0.072 0.000 2.292 680 H HA -0.200 4.357 4.556 0.001 0.000 0.292 680 H C -0.569 174.805 175.328 0.076 0.000 1.100 680 H CA 2.301 58.373 56.048 0.039 0.000 1.238 680 H CB -0.683 29.057 29.762 -0.037 0.000 1.355 680 H HN 0.201 nan 8.280 nan 0.000 0.484 681 P HA -0.198 nan 4.420 nan 0.000 0.217 681 P C 1.531 178.789 177.300 -0.070 0.000 1.151 681 P CA 1.943 64.945 63.100 -0.164 0.000 0.849 681 P CB -0.144 31.607 31.700 0.085 0.000 0.787 682 M N -2.849 116.822 119.600 0.118 0.000 2.276 682 M HA 0.055 4.535 4.480 0.001 0.000 0.262 682 M C 0.939 177.368 176.300 0.215 0.000 1.098 682 M CA 1.378 56.796 55.300 0.197 0.000 1.167 682 M CB -0.118 32.717 32.600 0.392 0.000 1.337 682 M HN -0.204 nan 8.290 nan 0.000 0.446 683 M N 1.528 121.261 119.600 0.222 0.000 2.268 683 M HA 0.225 4.706 4.480 0.001 0.000 0.340 683 M C -1.947 174.464 176.300 0.184 0.000 1.099 683 M CA -1.531 53.901 55.300 0.220 0.000 1.053 683 M CB 1.070 33.774 32.600 0.173 0.000 1.284 683 M HN -0.135 nan 8.290 nan 0.000 0.410 684 P HA -0.061 nan 4.420 nan 0.000 0.217 684 P C 1.062 178.505 177.300 0.239 0.000 1.154 684 P CA 1.331 64.537 63.100 0.176 0.000 0.841 684 P CB 0.190 31.768 31.700 -0.202 0.000 0.790 685 F N 0.591 120.680 119.950 0.232 0.000 2.000 685 F HA -0.154 4.373 4.527 0.001 0.000 0.295 685 F C 2.673 178.339 175.800 -0.224 0.000 1.159 685 F CA 1.053 59.051 58.000 -0.004 0.000 1.171 685 F CB -1.806 37.257 39.000 0.105 0.000 0.971 685 F HN -0.200 nan 8.300 nan 0.000 0.479 686 L N -0.088 121.244 121.223 0.181 0.000 2.051 686 L HA -0.236 4.105 4.340 0.001 0.000 0.214 686 L C 2.350 179.154 176.870 -0.110 0.000 1.076 686 L CA 2.391 57.206 54.840 -0.042 0.000 0.758 686 L CB -1.432 40.581 42.059 -0.076 0.000 0.890 686 L HN 0.320 nan 8.230 nan 0.000 0.433 687 T N -1.892 112.640 114.554 -0.036 0.000 2.897 687 T HA -0.132 4.219 4.350 0.001 0.000 0.271 687 T C 1.863 176.489 174.700 -0.124 0.000 1.084 687 T CA 1.599 63.673 62.100 -0.042 0.000 1.123 687 T CB -0.186 68.719 68.868 0.062 0.000 0.865 687 T HN 0.581 nan 8.240 nan 0.000 0.496 688 S N 0.227 115.752 115.700 -0.292 0.000 2.387 688 S HA 0.039 4.509 4.470 0.001 0.000 0.221 688 S C 1.847 176.295 174.600 -0.254 0.000 1.041 688 S CA 0.845 58.762 58.200 -0.471 0.000 0.959 688 S CB -0.290 62.229 63.200 -1.135 0.000 0.843 688 S HN 0.542 nan 8.310 nan 0.000 0.488 689 E N 2.132 122.137 120.200 -0.325 0.000 2.048 689 E HA -0.173 4.177 4.350 0.001 0.000 0.202 689 E C 1.853 178.538 176.600 0.141 0.000 1.021 689 E CA 1.471 57.975 56.400 0.174 0.000 0.825 689 E CB -0.647 29.135 29.700 0.137 0.000 0.756 689 E HN 0.424 nan 8.360 nan 0.000 0.454 690 L N -0.716 120.529 121.223 0.038 0.000 1.970 690 L HA -0.218 4.122 4.340 0.001 0.000 0.212 690 L C 2.507 179.431 176.870 0.091 0.000 1.071 690 L CA 1.872 56.742 54.840 0.050 0.000 0.751 690 L CB -0.802 41.263 42.059 0.009 0.000 0.889 690 L HN 0.281 nan 8.230 nan 0.000 0.432 691 Y N 0.623 120.901 120.300 -0.037 0.000 2.241 691 Y HA -0.367 4.183 4.550 0.001 0.000 0.286 691 Y C 2.836 178.748 175.900 0.021 0.000 1.166 691 Y CA 2.166 60.249 58.100 -0.028 0.000 1.203 691 Y CB -0.197 38.226 38.460 -0.062 0.000 0.977 691 Y HN 0.246 nan 8.280 nan 0.000 0.529 692 Q N -0.438 119.493 119.800 0.219 0.000 2.016 692 Q HA -0.162 4.178 4.340 0.001 0.000 0.200 692 Q C 2.413 178.443 176.000 0.050 0.000 0.978 692 Q CA 1.462 57.369 55.803 0.172 0.000 0.833 692 Q CB -0.393 28.533 28.738 0.313 0.000 0.895 692 Q HN 0.511 nan 8.270 nan 0.000 0.427 693 A N 0.739 123.598 122.820 0.066 0.000 1.978 693 A HA -0.178 4.143 4.320 0.001 0.000 0.220 693 A C 1.959 179.518 177.584 -0.042 0.000 1.170 693 A CA 1.388 53.437 52.037 0.021 0.000 0.636 693 A CB -0.658 18.367 19.000 0.041 0.000 0.810 693 A HN 0.509 nan 8.150 nan 0.000 0.448 694 L N -0.127 121.047 121.223 -0.083 0.000 2.044 694 L HA -0.028 4.313 4.340 0.001 0.000 0.205 694 L C 2.323 179.071 176.870 -0.203 0.000 1.075 694 L CA 2.861 57.615 54.840 -0.144 0.000 0.747 694 L CB -0.462 41.495 42.059 -0.170 0.000 0.903 694 L HN 0.484 nan 8.230 nan 0.000 0.435 695 T N -5.329 109.043 114.554 -0.302 0.000 3.003 695 T HA 0.446 4.796 4.350 0.001 0.000 0.261 695 T C 1.387 175.986 174.700 -0.168 0.000 1.003 695 T CA 0.368 62.290 62.100 -0.297 0.000 0.917 695 T CB 0.523 69.072 68.868 -0.532 0.000 1.084 695 T HN 0.582 nan 8.240 nan 0.000 0.522 696 G N 2.062 110.801 108.800 -0.101 0.000 2.320 696 G HA2 -0.254 3.706 3.960 0.001 0.000 0.242 696 G HA3 -0.254 3.706 3.960 0.001 0.000 0.242 696 G C 0.147 175.061 174.900 0.022 0.000 1.033 696 G CA -0.026 45.057 45.100 -0.029 0.000 0.620 696 G HN 0.617 nan 8.290 nan 0.000 0.517 697 K N 1.431 121.849 120.400 0.030 0.000 2.524 697 K HA 0.181 4.501 4.320 0.001 0.000 0.279 697 K C 1.085 177.815 176.600 0.218 0.000 0.993 697 K CA 0.503 56.877 56.287 0.145 0.000 1.030 697 K CB 0.509 33.177 32.500 0.281 0.000 0.891 697 K HN 0.665 nan 8.250 nan 0.000 0.488 698 E N 1.330 121.649 120.200 0.199 0.000 2.481 698 E HA 0.007 4.357 4.350 0.001 0.000 0.198 698 E C -0.387 176.426 176.600 0.356 0.000 1.027 698 E CA 0.197 56.735 56.400 0.230 0.000 0.900 698 E CB 0.679 30.434 29.700 0.091 0.000 0.993 698 E HN 0.377 nan 8.360 nan 0.000 0.482 699 E N 1.320 121.711 120.200 0.319 0.000 2.908 699 E HA 0.048 4.399 4.350 0.001 0.000 0.291 699 E C 0.290 177.002 176.600 0.187 0.000 1.154 699 E CA -0.129 56.477 56.400 0.344 0.000 0.784 699 E CB 1.326 31.205 29.700 0.299 0.000 1.500 699 E HN 0.062 nan 8.360 nan 0.000 0.382 700 L N 2.522 123.771 121.223 0.043 0.000 2.079 700 L HA -0.134 4.206 4.340 0.001 0.000 0.210 700 L C 1.997 178.699 176.870 -0.279 0.000 1.081 700 L CA 2.671 57.304 54.840 -0.346 0.000 0.752 700 L CB -0.436 41.202 42.059 -0.702 0.000 0.896 700 L HN 0.444 nan 8.230 nan 0.000 0.433 701 A N -0.216 122.504 122.820 -0.167 0.000 1.971 701 A HA -0.236 4.085 4.320 0.001 0.000 0.222 701 A C 2.196 179.869 177.584 0.148 0.000 1.182 701 A CA 2.439 54.522 52.037 0.076 0.000 0.649 701 A CB -1.075 18.099 19.000 0.291 0.000 0.818 701 A HN 0.575 nan 8.150 nan 0.000 0.458 702 L N -0.475 120.847 121.223 0.165 0.000 2.558 702 L HA 0.069 4.409 4.340 0.001 0.000 0.225 702 L C 0.501 177.414 176.870 0.071 0.000 1.128 702 L CA -0.331 54.594 54.840 0.142 0.000 0.868 702 L CB -0.247 41.900 42.059 0.147 0.000 1.006 702 L HN 0.239 nan 8.230 nan 0.000 0.454 703 E N 1.161 121.373 120.200 0.020 0.000 2.409 703 E HA 0.273 4.623 4.350 0.001 0.000 0.257 703 E C 0.067 176.678 176.600 0.017 0.000 1.150 703 E CA 0.030 56.431 56.400 0.000 0.000 0.942 703 E CB 0.887 30.527 29.700 -0.099 0.000 0.979 703 E HN 0.114 nan 8.360 nan 0.000 0.447 704 A N 1.723 124.557 122.820 0.024 0.000 2.316 704 A HA 0.170 4.491 4.320 0.001 0.000 0.284 704 A C -0.286 177.344 177.584 0.077 0.000 1.115 704 A CA -0.596 51.470 52.037 0.049 0.000 0.812 704 A CB 0.384 19.405 19.000 0.034 0.000 1.064 704 A HN 0.645 nan 8.150 nan 0.000 0.489 705 W N 3.635 124.869 121.300 -0.111 0.000 2.193 705 W HA 0.193 4.854 4.660 0.001 0.000 0.338 705 W C -2.045 174.435 176.519 -0.066 0.000 1.310 705 W CA -1.100 56.178 57.345 -0.111 0.000 1.243 705 W CB 0.701 30.060 29.460 -0.168 0.000 1.165 705 W HN 0.520 nan 8.180 nan 0.000 0.566 706 P HA 0.071 nan 4.420 nan 0.000 0.272 706 P C -1.400 175.819 177.300 -0.134 0.000 1.223 706 P CA 0.335 63.257 63.100 -0.297 0.000 0.784 706 P CB 1.228 32.675 31.700 -0.422 0.000 0.923 707 E N 1.837 122.003 120.200 -0.056 0.000 2.187 707 E HA 0.356 4.707 4.350 0.001 0.000 0.268 707 E C -2.189 174.401 176.600 -0.016 0.000 0.896 707 E CA -2.645 53.760 56.400 0.009 0.000 0.766 707 E CB 0.764 30.476 29.700 0.020 0.000 1.142 707 E HN 0.336 nan 8.360 nan 0.000 0.408 708 P HA 0.037 nan 4.420 nan 0.000 0.262 708 P C 0.199 177.490 177.300 -0.015 0.000 1.199 708 P CA 0.094 63.188 63.100 -0.010 0.000 0.763 708 P CB 1.149 32.856 31.700 0.012 0.000 0.790 709 G N 3.309 112.091 108.800 -0.030 0.000 2.937 709 G HA2 0.262 4.222 3.960 0.001 0.000 0.160 709 G HA3 0.262 4.222 3.960 0.001 0.000 0.160 709 G C 0.764 175.652 174.900 -0.020 0.000 1.863 709 G CA 0.442 45.527 45.100 -0.026 0.000 0.941 709 G HN 0.602 nan 8.290 nan 0.000 0.419 710 G N -0.879 107.906 108.800 -0.025 0.000 2.975 710 G HA2 0.536 4.496 3.960 0.001 0.000 0.159 710 G HA3 0.536 4.496 3.960 0.001 0.000 0.159 710 G C -0.288 174.597 174.900 -0.026 0.000 1.525 710 G CA -0.029 45.060 45.100 -0.019 0.000 1.075 710 G HN 1.033 nan 8.290 nan 0.000 0.574 711 R N -0.420 120.065 120.500 -0.025 0.000 4.706 711 R HA 0.136 4.477 4.340 0.001 0.000 0.289 711 R C -2.578 173.713 176.300 -0.014 0.000 0.971 711 R CA -0.699 55.384 56.100 -0.030 0.000 1.370 711 R CB 0.319 30.608 30.300 -0.018 0.000 1.266 711 R HN 0.372 nan 8.270 nan 0.000 0.563 712 D N 3.085 123.475 120.400 -0.016 0.000 2.443 712 D HA 0.108 4.748 4.640 0.001 0.000 0.221 712 D C 0.607 176.924 176.300 0.028 0.000 1.097 712 D CA -0.200 53.807 54.000 0.011 0.000 0.865 712 D CB 1.425 42.237 40.800 0.020 0.000 1.034 712 D HN 0.483 nan 8.370 nan 0.000 0.511 713 E N 3.154 123.371 120.200 0.027 0.000 2.019 713 E HA -0.240 4.111 4.350 0.001 0.000 0.208 713 E C 1.670 178.301 176.600 0.051 0.000 1.030 713 E CA 1.333 57.754 56.400 0.035 0.000 0.856 713 E CB -0.057 29.659 29.700 0.027 0.000 0.781 713 E HN 0.764 nan 8.360 nan 0.000 0.471 714 E N 0.883 121.111 120.200 0.046 0.000 2.026 714 E HA -0.268 4.083 4.350 0.001 0.000 0.206 714 E C 2.140 178.788 176.600 0.080 0.000 1.028 714 E CA 1.693 58.124 56.400 0.052 0.000 0.845 714 E CB -0.635 29.090 29.700 0.041 0.000 0.772 714 E HN 0.158 nan 8.360 nan 0.000 0.462 715 A N 1.790 124.664 122.820 0.090 0.000 1.935 715 A HA -0.383 3.937 4.320 0.001 0.000 0.224 715 A C 2.151 179.871 177.584 0.227 0.000 1.324 715 A CA 2.656 54.777 52.037 0.139 0.000 0.686 715 A CB -1.076 17.998 19.000 0.122 0.000 0.837 715 A HN 0.551 nan 8.150 nan 0.000 0.481 716 E N -1.487 118.850 120.200 0.228 0.000 2.118 716 E HA -0.231 4.119 4.350 0.001 0.000 0.195 716 E C 2.316 179.061 176.600 0.242 0.000 0.992 716 E CA 1.334 57.939 56.400 0.341 0.000 0.804 716 E CB -0.177 29.643 29.700 0.199 0.000 0.741 716 E HN 0.710 nan 8.360 nan 0.000 0.458 717 R N 0.572 121.153 120.500 0.135 0.000 2.153 717 R HA -0.021 4.320 4.340 0.001 0.000 0.218 717 R C 2.142 178.467 176.300 0.042 0.000 1.072 717 R CA 0.974 57.117 56.100 0.072 0.000 0.990 717 R CB -0.013 30.316 30.300 0.048 0.000 0.889 717 R HN 0.096 nan 8.270 nan 0.000 0.452 718 A N 0.549 123.410 122.820 0.068 0.000 1.841 718 A HA -0.149 4.171 4.320 0.001 0.000 0.214 718 A C 1.902 179.487 177.584 0.001 0.000 1.195 718 A CA 1.018 53.077 52.037 0.036 0.000 0.611 718 A CB -0.835 18.207 19.000 0.070 0.000 0.835 718 A HN 0.467 nan 8.150 nan 0.000 0.443 719 F N 0.887 120.755 119.950 -0.137 0.000 2.333 719 F HA -0.137 4.390 4.527 0.001 0.000 0.300 719 F C 2.125 177.684 175.800 -0.403 0.000 1.083 719 F CA 1.888 59.685 58.000 -0.338 0.000 1.395 719 F CB -0.009 38.569 39.000 -0.703 0.000 1.056 719 F HN 0.381 nan 8.300 nan 0.000 0.529 720 E N 0.586 120.674 120.200 -0.187 0.000 2.072 720 E HA -0.126 4.224 4.350 0.001 0.000 0.191 720 E C 2.233 178.655 176.600 -0.297 0.000 0.985 720 E CA 1.394 57.645 56.400 -0.248 0.000 0.801 720 E CB -0.617 29.032 29.700 -0.085 0.000 0.750 720 E HN 0.305 nan 8.360 nan 0.000 0.452 721 A N 0.913 123.608 122.820 -0.209 0.000 1.884 721 A HA -0.218 4.103 4.320 0.001 0.000 0.219 721 A C 2.247 179.673 177.584 -0.262 0.000 1.197 721 A CA 1.891 53.815 52.037 -0.189 0.000 0.637 721 A CB -1.129 17.787 19.000 -0.140 0.000 0.827 721 A HN 0.405 nan 8.150 nan 0.000 0.450 722 L N -0.193 120.814 121.223 -0.359 0.000 1.971 722 L HA -0.211 4.130 4.340 0.001 0.000 0.215 722 L C 2.322 178.935 176.870 -0.428 0.000 1.072 722 L CA 2.599 57.199 54.840 -0.400 0.000 0.758 722 L CB -0.730 40.992 42.059 -0.563 0.000 0.889 722 L HN 0.411 nan 8.230 nan 0.000 0.433 723 K N -0.926 119.014 120.400 -0.767 0.000 2.077 723 K HA -0.306 4.014 4.320 0.001 0.000 0.213 723 K C 2.083 178.499 176.600 -0.306 0.000 1.051 723 K CA 2.432 58.218 56.287 -0.835 0.000 0.929 723 K CB -0.290 31.530 32.500 -1.132 0.000 0.715 723 K HN 0.578 nan 8.250 nan 0.000 0.451 724 Q N -0.397 119.258 119.800 -0.243 0.000 2.050 724 Q HA -0.144 4.196 4.340 0.001 0.000 0.202 724 Q C 2.247 178.228 176.000 -0.031 0.000 0.980 724 Q CA 1.388 57.130 55.803 -0.101 0.000 0.840 724 Q CB -0.206 28.469 28.738 -0.105 0.000 0.898 724 Q HN 0.373 nan 8.270 nan 0.000 0.424 725 A N 0.610 123.392 122.820 -0.062 0.000 1.883 725 A HA -0.180 4.140 4.320 0.001 0.000 0.217 725 A C 2.386 180.085 177.584 0.192 0.000 1.186 725 A CA 1.671 53.700 52.037 -0.012 0.000 0.624 725 A CB -0.939 17.952 19.000 -0.183 0.000 0.822 725 A HN 0.218 nan 8.150 nan 0.000 0.444 726 V N 0.594 120.650 119.914 0.236 0.000 2.287 726 V HA -0.271 3.849 4.120 0.001 0.000 0.248 726 V C 2.971 179.187 176.094 0.203 0.000 1.053 726 V CA 2.599 65.073 62.300 0.291 0.000 1.027 726 V CB -1.469 30.547 31.823 0.321 0.000 0.646 726 V HN 0.829 nan 8.190 nan 0.000 0.447 727 T N -0.895 113.779 114.554 0.201 0.000 2.821 727 T HA -0.094 4.257 4.350 0.001 0.000 0.267 727 T C 1.971 176.739 174.700 0.113 0.000 1.046 727 T CA 1.273 63.473 62.100 0.167 0.000 1.139 727 T CB -0.532 68.442 68.868 0.177 0.000 0.871 727 T HN 0.486 nan 8.240 nan 0.000 0.454 728 A N 1.763 124.645 122.820 0.103 0.000 1.859 728 A HA -0.054 4.266 4.320 0.001 0.000 0.217 728 A C 2.657 180.305 177.584 0.107 0.000 1.198 728 A CA 1.996 54.089 52.037 0.093 0.000 0.629 728 A CB -1.373 17.673 19.000 0.077 0.000 0.830 728 A HN 0.369 nan 8.150 nan 0.000 0.446 729 V N 1.502 121.495 119.914 0.132 0.000 2.252 729 V HA -0.345 3.776 4.120 0.001 0.000 0.249 729 V C 2.662 178.795 176.094 0.064 0.000 1.056 729 V CA 2.574 64.942 62.300 0.114 0.000 1.022 729 V CB -1.090 30.816 31.823 0.138 0.000 0.641 729 V HN 0.818 nan 8.190 nan 0.000 0.445 730 R N 1.034 121.563 120.500 0.048 0.000 2.285 730 R HA 0.079 4.420 4.340 0.001 0.000 0.213 730 R C 1.948 178.270 176.300 0.037 0.000 1.068 730 R CA 1.234 57.344 56.100 0.017 0.000 1.004 730 R CB -0.491 29.804 30.300 -0.008 0.000 0.873 730 R HN 0.446 nan 8.270 nan 0.000 0.467 731 A N 1.160 124.017 122.820 0.062 0.000 1.943 731 A HA 0.073 4.394 4.320 0.001 0.000 0.213 731 A C 1.940 179.578 177.584 0.089 0.000 1.181 731 A CA 0.175 52.253 52.037 0.068 0.000 0.653 731 A CB -0.096 18.947 19.000 0.072 0.000 0.833 731 A HN 0.189 nan 8.150 nan 0.000 0.451 732 L N 0.473 121.760 121.223 0.105 0.000 1.976 732 L HA -0.128 4.212 4.340 0.001 0.000 0.209 732 L C 2.308 179.236 176.870 0.096 0.000 1.071 732 L CA 2.030 56.952 54.840 0.137 0.000 0.746 732 L CB -0.755 41.377 42.059 0.122 0.000 0.890 732 L HN 0.324 nan 8.230 nan 0.000 0.432 733 K N -0.893 119.541 120.400 0.056 0.000 2.059 733 K HA -0.272 4.049 4.320 0.001 0.000 0.212 733 K C 2.003 178.625 176.600 0.037 0.000 1.050 733 K CA 1.665 57.970 56.287 0.031 0.000 0.927 733 K CB -0.518 31.984 32.500 0.005 0.000 0.714 733 K HN 0.419 nan 8.250 nan 0.000 0.447 734 A N 1.896 124.739 122.820 0.039 0.000 1.859 734 A HA -0.288 4.033 4.320 0.001 0.000 0.218 734 A C 2.034 179.650 177.584 0.053 0.000 1.209 734 A CA 2.119 54.178 52.037 0.036 0.000 0.639 734 A CB -0.744 18.276 19.000 0.034 0.000 0.835 734 A HN 0.397 nan 8.150 nan 0.000 0.450 735 E N -0.469 119.779 120.200 0.081 0.000 2.085 735 E HA -0.133 4.217 4.350 0.001 0.000 0.194 735 E C 2.154 178.825 176.600 0.117 0.000 0.994 735 E CA 1.053 57.519 56.400 0.111 0.000 0.801 735 E CB -0.332 29.469 29.700 0.168 0.000 0.743 735 E HN 0.633 nan 8.360 nan 0.000 0.453 736 A N 0.265 123.147 122.820 0.104 0.000 2.172 736 A HA 0.057 4.377 4.320 0.001 0.000 0.216 736 A C 1.938 179.548 177.584 0.043 0.000 1.154 736 A CA 1.158 53.236 52.037 0.067 0.000 0.701 736 A CB -0.612 18.406 19.000 0.030 0.000 0.789 736 A HN 0.398 nan 8.150 nan 0.000 0.465 737 G N -2.362 106.462 108.800 0.040 0.000 2.143 737 G HA2 -0.181 3.780 3.960 0.001 0.000 0.249 737 G HA3 -0.181 3.780 3.960 0.001 0.000 0.249 737 G C -0.094 174.814 174.900 0.013 0.000 0.981 737 G CA 0.224 45.340 45.100 0.025 0.000 0.665 737 G HN 0.356 nan 8.290 nan 0.000 0.528 738 L N 1.400 122.630 121.223 0.011 0.000 2.416 738 L HA 0.457 4.797 4.340 0.001 0.000 0.272 738 L C -1.396 175.471 176.870 -0.005 0.000 1.161 738 L CA -1.902 52.938 54.840 0.000 0.000 0.845 738 L CB 0.253 42.310 42.059 -0.003 0.000 1.119 738 L HN -0.061 nan 8.230 nan 0.000 0.464 739 P HA 0.129 nan 4.420 nan 0.000 0.269 739 P C -1.926 175.359 177.300 -0.025 0.000 1.209 739 P CA -0.890 62.201 63.100 -0.014 0.000 0.776 739 P CB 0.127 31.819 31.700 -0.014 0.000 0.876 740 P HA -0.278 nan 4.420 nan 0.000 0.214 740 P C 1.100 178.363 177.300 -0.062 0.000 1.172 740 P CA 2.197 65.268 63.100 -0.049 0.000 0.925 740 P CB -0.383 31.287 31.700 -0.050 0.000 0.793 741 A N -1.236 121.552 122.820 -0.054 0.000 2.209 741 A HA -0.113 4.208 4.320 0.001 0.000 0.212 741 A C 1.288 178.845 177.584 -0.046 0.000 1.158 741 A CA 0.259 52.263 52.037 -0.056 0.000 0.742 741 A CB -1.262 17.715 19.000 -0.039 0.000 0.790 741 A HN 0.207 nan 8.150 nan 0.000 0.472 742 Q N 1.047 120.824 119.800 -0.039 0.000 2.304 742 Q HA 0.053 4.394 4.340 0.001 0.000 0.315 742 Q C -0.136 175.842 176.000 -0.036 0.000 1.075 742 Q CA 0.354 56.139 55.803 -0.030 0.000 0.988 742 Q CB 0.138 28.862 28.738 -0.024 0.000 1.146 742 Q HN 0.449 nan 8.270 nan 0.000 0.383 743 E N 1.795 121.978 120.200 -0.027 0.000 2.392 743 E HA 0.394 4.745 4.350 0.001 0.000 0.264 743 E C -1.270 175.316 176.600 -0.023 0.000 1.024 743 E CA 0.015 56.399 56.400 -0.026 0.000 0.903 743 E CB 0.807 30.498 29.700 -0.014 0.000 0.963 743 E HN 0.436 nan 8.360 nan 0.000 0.432 744 V N 4.034 123.933 119.914 -0.024 0.000 3.120 744 V HA 0.463 4.583 4.120 0.001 0.000 0.303 744 V C -0.931 175.170 176.094 0.011 0.000 1.238 744 V CA -1.021 61.273 62.300 -0.010 0.000 1.008 744 V CB 2.322 34.136 31.823 -0.016 0.000 1.064 744 V HN 0.570 nan 8.190 nan 0.000 0.434 745 R N 1.620 122.137 120.500 0.028 0.000 2.589 745 R HA 0.890 5.230 4.340 0.001 0.000 0.293 745 R C -1.285 175.065 176.300 0.083 0.000 0.963 745 R CA -0.567 55.568 56.100 0.057 0.000 0.905 745 R CB 2.127 32.453 30.300 0.043 0.000 1.144 745 R HN 0.449 nan 8.270 nan 0.000 0.459 746 V N 2.299 122.294 119.914 0.134 0.000 3.178 746 V HA 0.374 4.495 4.120 0.001 0.000 0.302 746 V C -1.801 174.416 176.094 0.205 0.000 1.262 746 V CA -0.883 61.514 62.300 0.162 0.000 1.030 746 V CB 3.064 35.000 31.823 0.189 0.000 1.074 746 V HN 0.744 nan 8.190 nan 0.000 0.438 747 Y N 3.326 123.652 120.300 0.044 0.000 2.391 747 Y HA 0.795 5.346 4.550 0.001 0.000 0.341 747 Y C -1.305 174.594 175.900 -0.002 0.000 0.965 747 Y CA -0.762 57.348 58.100 0.016 0.000 1.067 747 Y CB 1.589 40.053 38.460 0.008 0.000 1.199 747 Y HN 0.522 nan 8.280 nan 0.000 0.450 748 L N 5.918 126.702 121.223 -0.732 0.000 2.334 748 L HA 0.597 4.937 4.340 0.001 0.000 0.276 748 L C -0.965 175.457 176.870 -0.747 0.000 1.014 748 L CA -0.786 53.701 54.840 -0.587 0.000 0.815 748 L CB 2.021 43.837 42.059 -0.405 0.000 1.268 748 L HN 0.623 nan 8.230 nan 0.000 0.428 749 E N 1.724 121.681 120.200 -0.404 0.000 2.246 749 E HA 0.730 5.081 4.350 0.001 0.000 0.266 749 E C -0.124 176.392 176.600 -0.139 0.000 0.880 749 E CA -0.610 55.648 56.400 -0.237 0.000 0.762 749 E CB 2.567 32.220 29.700 -0.078 0.000 1.180 749 E HN 0.793 nan 8.360 nan 0.000 0.416 750 G N 2.440 111.173 108.800 -0.112 0.000 2.295 750 G HA2 -0.198 3.762 3.960 0.001 0.000 0.195 750 G HA3 -0.198 3.762 3.960 0.001 0.000 0.195 750 G C -0.950 173.896 174.900 -0.090 0.000 1.269 750 G CA -0.848 44.203 45.100 -0.082 0.000 1.170 750 G HN 0.554 nan 8.290 nan 0.000 0.511 751 E N 1.596 121.745 120.200 -0.085 0.000 1.774 751 E HA 0.374 4.725 4.350 0.001 0.000 0.265 751 E C 1.593 178.121 176.600 -0.120 0.000 1.207 751 E CA 0.639 56.988 56.400 -0.084 0.000 1.054 751 E CB -0.270 29.388 29.700 -0.071 0.000 1.074 751 E HN 0.633 nan 8.360 nan 0.000 0.433 752 T N -0.366 114.110 114.554 -0.131 0.000 3.022 752 T HA 0.182 4.532 4.350 0.001 0.000 0.250 752 T C 1.795 176.409 174.700 -0.144 0.000 1.060 752 T CA 0.309 62.304 62.100 -0.175 0.000 1.013 752 T CB 0.389 69.136 68.868 -0.201 0.000 0.982 752 T HN 0.278 nan 8.240 nan 0.000 0.508 753 A N 3.241 126.003 122.820 -0.097 0.000 1.915 753 A HA -0.039 4.281 4.320 0.001 0.000 0.220 753 A C 0.210 177.755 177.584 -0.066 0.000 1.198 753 A CA 1.774 53.771 52.037 -0.067 0.000 0.647 753 A CB -1.768 17.207 19.000 -0.043 0.000 0.825 753 A HN 0.475 nan 8.150 nan 0.000 0.456 754 P HA -0.124 nan 4.420 nan 0.000 0.215 754 P C 1.635 178.888 177.300 -0.078 0.000 1.157 754 P CA 1.681 64.742 63.100 -0.065 0.000 0.868 754 P CB -0.190 31.453 31.700 -0.095 0.000 0.788 755 V N 0.064 119.884 119.914 -0.158 0.000 2.407 755 V HA -0.252 3.868 4.120 0.001 0.000 0.248 755 V C 2.204 178.228 176.094 -0.117 0.000 1.055 755 V CA 1.867 64.040 62.300 -0.212 0.000 1.049 755 V CB -1.335 30.179 31.823 -0.515 0.000 0.662 755 V HN 0.195 nan 8.190 nan 0.000 0.455 756 E N 0.278 120.415 120.200 -0.105 0.000 2.051 756 E HA -0.222 4.128 4.350 0.001 0.000 0.192 756 E C 2.230 178.828 176.600 -0.003 0.000 0.991 756 E CA 1.473 57.844 56.400 -0.049 0.000 0.799 756 E CB -0.204 29.465 29.700 -0.051 0.000 0.748 756 E HN 0.699 nan 8.360 nan 0.000 0.449 757 E N 0.595 120.794 120.200 -0.002 0.000 2.204 757 E HA -0.065 4.286 4.350 0.001 0.000 0.194 757 E C 0.500 177.128 176.600 0.047 0.000 0.989 757 E CA 0.557 56.970 56.400 0.021 0.000 0.824 757 E CB 0.011 29.723 29.700 0.020 0.000 0.756 757 E HN 0.201 nan 8.360 nan 0.000 0.477 758 N N 1.078 119.814 118.700 0.059 0.000 2.660 758 N HA 0.050 4.790 4.740 0.001 0.000 0.316 758 N C 0.580 176.172 175.510 0.137 0.000 1.774 758 N CA -0.096 53.015 53.050 0.101 0.000 0.946 758 N CB 1.022 39.584 38.487 0.125 0.000 1.322 758 N HN 0.036 nan 8.380 nan 0.000 0.492 759 L N 1.306 122.603 121.223 0.123 0.000 1.951 759 L HA -0.205 4.136 4.340 0.001 0.000 0.222 759 L C 2.174 179.171 176.870 0.211 0.000 1.078 759 L CA 2.104 57.047 54.840 0.173 0.000 0.778 759 L CB -0.571 41.564 42.059 0.125 0.000 0.893 759 L HN 0.274 nan 8.230 nan 0.000 0.436 760 E N -0.450 119.841 120.200 0.151 0.000 2.136 760 E HA -0.221 4.129 4.350 0.001 0.000 0.202 760 E C 2.231 178.943 176.600 0.187 0.000 1.019 760 E CA 1.516 58.000 56.400 0.140 0.000 0.819 760 E CB -0.523 29.234 29.700 0.096 0.000 0.739 760 E HN 0.413 nan 8.360 nan 0.000 0.458 761 V N 1.111 121.150 119.914 0.208 0.000 2.261 761 V HA -0.250 3.870 4.120 0.001 0.000 0.246 761 V C 2.179 178.427 176.094 0.257 0.000 1.047 761 V CA 1.946 64.404 62.300 0.262 0.000 1.015 761 V CB -0.711 31.270 31.823 0.263 0.000 0.642 761 V HN 0.173 nan 8.190 nan 0.000 0.446 762 F N 1.580 121.593 119.950 0.105 0.000 2.091 762 F HA -0.249 4.278 4.527 0.001 0.000 0.299 762 F C 2.526 178.363 175.800 0.063 0.000 1.103 762 F CA 1.950 59.986 58.000 0.061 0.000 1.228 762 F CB -0.492 38.523 39.000 0.026 0.000 0.984 762 F HN 0.005 nan 8.300 nan 0.000 0.477 763 R N -0.770 119.661 120.500 -0.116 0.000 2.088 763 R HA -0.216 4.124 4.340 0.001 0.000 0.232 763 R C 2.255 178.474 176.300 -0.135 0.000 1.136 763 R CA 1.992 57.971 56.100 -0.202 0.000 0.926 763 R CB -1.389 28.918 30.300 0.011 0.000 0.837 763 R HN 0.390 nan 8.270 nan 0.000 0.429 764 F N 1.764 121.653 119.950 -0.101 0.000 2.115 764 F HA -0.227 4.300 4.527 0.001 0.000 0.300 764 F C 1.826 177.561 175.800 -0.108 0.000 1.092 764 F CA 1.581 59.533 58.000 -0.079 0.000 1.245 764 F CB -0.253 38.730 39.000 -0.029 0.000 0.995 764 F HN -0.052 nan 8.300 nan 0.000 0.481 765 L N -0.532 120.504 121.223 -0.312 0.000 2.095 765 L HA -0.129 4.211 4.340 0.001 0.000 0.204 765 L C 2.676 179.336 176.870 -0.351 0.000 1.080 765 L CA 1.337 55.948 54.840 -0.382 0.000 0.759 765 L CB -0.836 41.170 42.059 -0.087 0.000 0.914 765 L HN 0.297 nan 8.230 nan 0.000 0.439 766 S N -1.040 114.416 115.700 -0.406 0.000 2.439 766 S HA -0.050 4.421 4.470 0.001 0.000 0.224 766 S C 1.078 175.482 174.600 -0.326 0.000 1.029 766 S CA 0.013 57.983 58.200 -0.384 0.000 0.946 766 S CB 0.125 62.925 63.200 -0.667 0.000 0.797 766 S HN 0.306 nan 8.310 nan 0.000 0.504 767 R N 0.721 121.009 120.500 -0.353 0.000 3.281 767 R HA -0.044 4.297 4.340 0.001 0.000 0.271 767 R C -0.552 175.628 176.300 -0.201 0.000 1.099 767 R CA 0.779 56.742 56.100 -0.228 0.000 0.732 767 R CB -2.137 28.056 30.300 -0.179 0.000 1.269 767 R HN 0.867 nan 8.270 nan 0.000 0.412 768 A N 0.186 122.831 122.820 -0.291 0.000 2.486 768 A HA 0.673 4.993 4.320 0.001 0.000 0.300 768 A C -1.194 176.332 177.584 -0.097 0.000 1.048 768 A CA -0.787 51.142 52.037 -0.180 0.000 0.696 768 A CB 1.360 20.263 19.000 -0.162 0.000 1.278 768 A HN 0.222 nan 8.150 nan 0.000 0.405 769 D N 0.725 121.147 120.400 0.037 0.000 2.181 769 D HA 0.509 5.149 4.640 0.001 0.000 0.248 769 D C -0.394 176.016 176.300 0.184 0.000 1.020 769 D CA -0.139 53.924 54.000 0.106 0.000 0.891 769 D CB 1.408 42.248 40.800 0.068 0.000 1.187 769 D HN 0.442 nan 8.370 nan 0.000 0.443 770 L N 2.185 123.533 121.223 0.210 0.000 2.331 770 L HA 0.262 4.602 4.340 0.001 0.000 0.278 770 L C -0.376 176.576 176.870 0.137 0.000 1.106 770 L CA -0.526 54.421 54.840 0.179 0.000 0.824 770 L CB 0.455 42.586 42.059 0.120 0.000 1.142 770 L HN 0.249 nan 8.230 nan 0.000 0.443 771 L N 6.586 127.909 121.223 0.166 0.000 2.290 771 L HA 0.235 4.575 4.340 0.001 0.000 0.284 771 L C -1.105 175.899 176.870 0.223 0.000 1.078 771 L CA -1.453 53.488 54.840 0.167 0.000 0.815 771 L CB 1.301 43.462 42.059 0.169 0.000 1.162 771 L HN 0.489 nan 8.230 nan 0.000 0.435 772 P HA -0.081 nan 4.420 nan 0.000 0.215 772 P C -0.035 177.349 177.300 0.141 0.000 1.157 772 P CA 1.077 64.259 63.100 0.136 0.000 0.859 772 P CB 0.400 32.142 31.700 0.070 0.000 0.786 773 E N 0.824 121.030 120.200 0.011 0.000 2.197 773 E HA 0.186 4.536 4.350 0.001 0.000 0.281 773 E C 0.418 176.753 176.600 -0.441 0.000 0.995 773 E CA -0.798 55.516 56.400 -0.144 0.000 0.808 773 E CB 0.859 30.500 29.700 -0.098 0.000 1.093 773 E HN 0.030 nan 8.360 nan 0.000 0.394 774 R N 4.630 124.607 120.500 -0.872 0.000 2.484 774 R HA 0.084 4.425 4.340 0.001 0.000 0.293 774 R C -2.161 173.836 176.300 -0.504 0.000 1.023 774 R CA -0.812 54.523 56.100 -1.274 0.000 1.037 774 R CB -0.083 29.600 30.300 -1.027 0.000 0.951 774 R HN 0.271 nan 8.270 nan 0.000 0.418 775 P HA 0.122 nan 4.420 nan 0.000 0.282 775 P C -0.021 177.204 177.300 -0.124 0.000 1.262 775 P CA -0.186 62.815 63.100 -0.166 0.000 0.773 775 P CB 1.370 33.009 31.700 -0.102 0.000 0.879 776 A N 5.240 128.002 122.820 -0.098 0.000 1.849 776 A HA -0.151 4.169 4.320 0.001 0.000 0.217 776 A C 1.088 178.638 177.584 -0.057 0.000 1.202 776 A CA 1.484 53.479 52.037 -0.070 0.000 0.629 776 A CB -0.821 18.145 19.000 -0.056 0.000 0.834 776 A HN 0.661 nan 8.150 nan 0.000 0.447 777 K N -0.111 120.252 120.400 -0.062 0.000 2.143 777 K HA 0.743 5.064 4.320 0.001 0.000 0.272 777 K C -0.530 176.013 176.600 -0.094 0.000 1.001 777 K CA 0.266 56.511 56.287 -0.071 0.000 0.915 777 K CB 0.948 33.407 32.500 -0.069 0.000 1.047 777 K HN 1.143 nan 8.250 nan 0.000 0.458 778 A N 1.569 124.309 122.820 -0.134 0.000 2.489 778 A HA 0.406 4.727 4.320 0.001 0.000 0.293 778 A C -1.973 175.415 177.584 -0.327 0.000 1.004 778 A CA -0.899 51.033 52.037 -0.175 0.000 0.626 778 A CB 0.384 19.330 19.000 -0.089 0.000 1.345 778 A HN 0.413 nan 8.150 nan 0.000 0.447 779 L N 0.660 121.636 121.223 -0.412 0.000 2.312 779 L HA 0.658 4.998 4.340 0.001 0.000 0.281 779 L C -0.092 176.670 176.870 -0.180 0.000 1.070 779 L CA -0.154 54.218 54.840 -0.781 0.000 0.805 779 L CB 1.448 43.036 42.059 -0.785 0.000 1.174 779 L HN 0.545 nan 8.230 nan 0.000 0.434 780 V N 2.964 123.033 119.914 0.260 0.000 2.680 780 V HA 0.593 4.714 4.120 0.001 0.000 0.309 780 V C -0.450 175.929 176.094 0.476 0.000 1.052 780 V CA -0.924 61.610 62.300 0.391 0.000 0.908 780 V CB 2.073 34.106 31.823 0.350 0.000 1.001 780 V HN 0.596 nan 8.190 nan 0.000 0.431 781 K N 3.085 123.639 120.400 0.257 0.000 2.502 781 K HA 0.769 5.090 4.320 0.001 0.000 0.254 781 K C -0.651 176.011 176.600 0.103 0.000 0.947 781 K CA -0.195 56.197 56.287 0.175 0.000 0.834 781 K CB 1.636 34.228 32.500 0.153 0.000 1.112 781 K HN 0.859 nan 8.250 nan 0.000 0.427 782 A N 4.857 127.719 122.820 0.069 0.000 2.253 782 A HA 0.682 5.002 4.320 0.001 0.000 0.316 782 A C -0.790 176.806 177.584 0.020 0.000 1.327 782 A CA -0.556 51.504 52.037 0.040 0.000 0.917 782 A CB 0.226 19.245 19.000 0.031 0.000 1.162 782 A HN 0.739 nan 8.150 nan 0.000 0.535 783 M N 3.381 122.987 119.600 0.011 0.000 2.705 783 M HA 0.482 4.962 4.480 0.001 0.000 0.311 783 M C -1.761 174.533 176.300 -0.010 0.000 1.214 783 M CA -1.882 53.417 55.300 -0.000 0.000 0.920 783 M CB 1.788 34.384 32.600 -0.007 0.000 1.687 783 M HN 0.334 nan 8.290 nan 0.000 0.481 784 P HA -0.149 nan 4.420 nan 0.000 0.210 784 P C 0.915 178.202 177.300 -0.022 0.000 1.185 784 P CA 1.584 64.675 63.100 -0.015 0.000 0.924 784 P CB 0.155 31.845 31.700 -0.015 0.000 0.786 785 R N -0.942 119.537 120.500 -0.035 0.000 2.119 785 R HA 0.152 4.492 4.340 0.001 0.000 0.222 785 R C 0.786 177.053 176.300 -0.055 0.000 1.088 785 R CA 0.423 56.497 56.100 -0.044 0.000 0.984 785 R CB -0.962 29.304 30.300 -0.057 0.000 0.884 785 R HN 0.212 nan 8.270 nan 0.000 0.447 786 V N 0.004 119.882 119.914 -0.060 0.000 3.040 786 V HA 0.455 4.575 4.120 0.001 0.000 0.312 786 V C -1.022 175.042 176.094 -0.049 0.000 1.115 786 V CA -0.520 61.736 62.300 -0.074 0.000 0.998 786 V CB 2.620 34.376 31.823 -0.112 0.000 1.042 786 V HN 0.108 nan 8.190 nan 0.000 0.433 787 T N 3.889 118.411 114.554 -0.053 0.000 2.861 787 T HA 0.809 5.159 4.350 0.001 0.000 0.287 787 T C -0.686 174.002 174.700 -0.019 0.000 1.003 787 T CA -0.013 62.080 62.100 -0.012 0.000 0.977 787 T CB 1.503 70.378 68.868 0.012 0.000 0.996 787 T HN 1.131 nan 8.240 nan 0.000 0.448 788 A N 3.311 126.152 122.820 0.036 0.000 2.342 788 A HA 0.803 5.124 4.320 0.001 0.000 0.323 788 A C -0.384 177.268 177.584 0.113 0.000 1.125 788 A CA -0.873 51.198 52.037 0.056 0.000 0.785 788 A CB 0.988 20.032 19.000 0.074 0.000 1.221 788 A HN 0.735 nan 8.150 nan 0.000 0.463 789 R N 2.175 122.763 120.500 0.147 0.000 2.393 789 R HA 0.459 4.799 4.340 0.001 0.000 0.315 789 R C -1.108 175.258 176.300 0.109 0.000 0.952 789 R CA -0.381 55.807 56.100 0.147 0.000 0.842 789 R CB 1.977 32.408 30.300 0.219 0.000 1.163 789 R HN 0.828 nan 8.270 nan 0.000 0.450 790 M N 4.718 124.338 119.600 0.033 0.000 2.167 790 M HA 0.388 4.868 4.480 0.001 0.000 0.333 790 M C -2.493 173.778 176.300 -0.047 0.000 1.030 790 M CA -1.932 53.372 55.300 0.006 0.000 0.963 790 M CB 1.994 34.588 32.600 -0.010 0.000 1.589 790 M HN 0.172 nan 8.290 nan 0.000 0.431 791 P HA -0.014 nan 4.420 nan 0.000 0.268 791 P C -0.295 176.961 177.300 -0.073 0.000 1.208 791 P CA 0.125 63.194 63.100 -0.051 0.000 0.777 791 P CB 0.428 32.111 31.700 -0.030 0.000 0.875 792 L N 1.342 122.513 121.223 -0.086 0.000 2.801 792 L HA 0.043 4.383 4.340 0.001 0.000 0.250 792 L C 0.631 177.464 176.870 -0.063 0.000 1.222 792 L CA 0.360 55.144 54.840 -0.093 0.000 1.054 792 L CB -1.070 40.928 42.059 -0.102 0.000 1.330 792 L HN 0.348 nan 8.230 nan 0.000 0.426 793 E N 0.768 120.940 120.200 -0.048 0.000 2.324 793 E HA 0.435 4.786 4.350 0.001 0.000 0.271 793 E C 0.800 177.381 176.600 -0.031 0.000 1.028 793 E CA 0.287 56.667 56.400 -0.034 0.000 0.890 793 E CB 0.812 30.497 29.700 -0.024 0.000 1.004 793 E HN 0.333 nan 8.360 nan 0.000 0.431 794 G N 2.173 110.957 108.800 -0.027 0.000 2.660 794 G HA2 -0.208 3.753 3.960 0.001 0.000 0.247 794 G HA3 -0.208 3.753 3.960 0.001 0.000 0.247 794 G C -1.151 173.735 174.900 -0.023 0.000 1.328 794 G CA -0.950 44.136 45.100 -0.022 0.000 0.884 794 G HN 0.425 nan 8.290 nan 0.000 0.531 795 L N 1.270 122.482 121.223 -0.017 0.000 2.288 795 L HA 0.627 4.967 4.340 0.001 0.000 0.283 795 L C 0.191 177.053 176.870 -0.013 0.000 1.072 795 L CA -0.135 54.696 54.840 -0.014 0.000 0.862 795 L CB -0.509 41.545 42.059 -0.008 0.000 1.245 795 L HN 0.501 nan 8.230 nan 0.000 0.432 796 L N 3.541 124.753 121.223 -0.019 0.000 2.331 796 L HA 0.409 4.749 4.340 0.001 0.000 0.275 796 L C 0.248 177.120 176.870 0.004 0.000 1.022 796 L CA -0.773 54.058 54.840 -0.016 0.000 0.812 796 L CB 1.766 43.796 42.059 -0.049 0.000 1.257 796 L HN 0.373 nan 8.230 nan 0.000 0.435 797 D N 1.508 121.925 120.400 0.028 0.000 2.483 797 D HA 0.118 4.758 4.640 0.001 0.000 0.220 797 D C 0.837 177.195 176.300 0.096 0.000 1.173 797 D CA -0.085 53.947 54.000 0.053 0.000 0.964 797 D CB 1.220 42.055 40.800 0.058 0.000 1.046 797 D HN 0.251 nan 8.370 nan 0.000 0.517 798 V N 3.549 123.513 119.914 0.083 0.000 2.427 798 V HA -0.205 3.915 4.120 0.001 0.000 0.248 798 V C 2.242 178.468 176.094 0.220 0.000 1.051 798 V CA 1.396 63.784 62.300 0.147 0.000 1.048 798 V CB -0.324 31.544 31.823 0.075 0.000 0.666 798 V HN 0.511 nan 8.190 nan 0.000 0.456 799 E N -0.287 119.993 120.200 0.132 0.000 2.070 799 E HA -0.265 4.086 4.350 0.001 0.000 0.197 799 E C 2.317 178.982 176.600 0.108 0.000 1.004 799 E CA 1.434 57.897 56.400 0.106 0.000 0.805 799 E CB -0.148 29.590 29.700 0.064 0.000 0.744 799 E HN 0.525 nan 8.360 nan 0.000 0.451 800 E N 0.328 120.596 120.200 0.114 0.000 2.007 800 E HA -0.188 4.162 4.350 0.001 0.000 0.194 800 E C 1.652 178.325 176.600 0.123 0.000 0.999 800 E CA 0.915 57.373 56.400 0.096 0.000 0.811 800 E CB -0.582 29.174 29.700 0.093 0.000 0.762 800 E HN 0.384 nan 8.360 nan 0.000 0.450 801 W N 2.351 123.655 121.300 0.007 0.000 2.305 801 W HA -0.329 4.331 4.660 0.001 0.000 0.308 801 W C 2.558 179.082 176.519 0.008 0.000 1.226 801 W CA 2.950 60.300 57.345 0.009 0.000 1.253 801 W CB -0.302 29.164 29.460 0.010 0.000 1.146 801 W HN 0.040 nan 8.180 nan 0.000 0.507 802 R N 0.553 121.139 120.500 0.143 0.000 2.109 802 R HA -0.184 4.156 4.340 0.001 0.000 0.227 802 R C 2.460 178.632 176.300 -0.213 0.000 1.132 802 R CA 2.586 58.632 56.100 -0.090 0.000 0.907 802 R CB -1.097 29.277 30.300 0.124 0.000 0.825 802 R HN 0.152 nan 8.270 nan 0.000 0.432 803 R N -0.248 120.201 120.500 -0.085 0.000 2.162 803 R HA -0.207 4.134 4.340 0.001 0.000 0.245 803 R C 2.381 178.598 176.300 -0.137 0.000 1.129 803 R CA 2.202 58.251 56.100 -0.085 0.000 0.940 803 R CB -0.482 29.796 30.300 -0.036 0.000 0.875 803 R HN 0.228 nan 8.270 nan 0.000 0.437 804 R N 0.523 120.932 120.500 -0.152 0.000 2.103 804 R HA -0.168 4.172 4.340 0.001 0.000 0.242 804 R C 2.201 178.350 176.300 -0.250 0.000 1.142 804 R CA 1.619 57.618 56.100 -0.168 0.000 0.960 804 R CB -0.501 29.716 30.300 -0.138 0.000 0.858 804 R HN 0.327 nan 8.270 nan 0.000 0.439 805 Q N 0.322 119.857 119.800 -0.442 0.000 2.212 805 Q HA 0.009 4.350 4.340 0.001 0.000 0.199 805 Q C 1.654 177.473 176.000 -0.302 0.000 0.950 805 Q CA 0.922 56.447 55.803 -0.464 0.000 0.863 805 Q CB 0.129 28.345 28.738 -0.870 0.000 0.944 805 Q HN 0.390 nan 8.270 nan 0.000 0.465 806 E N -0.167 119.873 120.200 -0.267 0.000 2.401 806 E HA -0.151 4.200 4.350 0.001 0.000 0.199 806 E C 1.438 177.968 176.600 -0.116 0.000 1.023 806 E CA 0.522 56.827 56.400 -0.159 0.000 0.859 806 E CB 0.192 29.823 29.700 -0.116 0.000 0.780 806 E HN 0.084 nan 8.360 nan 0.000 0.523 807 K N 0.435 120.760 120.400 -0.125 0.000 2.334 807 K HA 0.031 4.351 4.320 0.001 0.000 0.195 807 K C 1.808 178.360 176.600 -0.080 0.000 1.045 807 K CA -0.015 56.220 56.287 -0.087 0.000 1.004 807 K CB 0.386 32.840 32.500 -0.077 0.000 0.837 807 K HN -0.088 nan 8.250 nan 0.000 0.510 808 R N 0.945 121.385 120.500 -0.101 0.000 2.115 808 R HA -0.033 4.308 4.340 0.001 0.000 0.226 808 R C 2.137 178.399 176.300 -0.064 0.000 1.100 808 R CA 0.471 56.525 56.100 -0.078 0.000 0.980 808 R CB -0.592 29.654 30.300 -0.090 0.000 0.875 808 R HN 0.153 nan 8.270 nan 0.000 0.445 809 L N 1.438 122.617 121.223 -0.074 0.000 2.027 809 L HA -0.097 4.243 4.340 0.001 0.000 0.206 809 L C 2.054 178.898 176.870 -0.043 0.000 1.074 809 L CA 1.827 56.635 54.840 -0.055 0.000 0.745 809 L CB -0.628 41.395 42.059 -0.060 0.000 0.898 809 L HN -0.021 nan 8.230 nan 0.000 0.433 810 K N -0.710 119.662 120.400 -0.047 0.000 2.286 810 K HA -0.199 4.121 4.320 0.001 0.000 0.203 810 K C 1.682 178.262 176.600 -0.032 0.000 1.045 810 K CA 1.720 57.985 56.287 -0.037 0.000 0.935 810 K CB 0.110 32.586 32.500 -0.039 0.000 0.737 810 K HN 0.556 nan 8.250 nan 0.000 0.460 811 E N -0.662 119.517 120.200 -0.034 0.000 2.244 811 E HA 0.003 4.353 4.350 0.001 0.000 0.196 811 E C 1.836 178.421 176.600 -0.025 0.000 0.939 811 E CA 0.140 56.523 56.400 -0.028 0.000 0.884 811 E CB 0.098 29.781 29.700 -0.028 0.000 0.850 811 E HN 0.166 nan 8.360 nan 0.000 0.481 812 L N 1.181 122.388 121.223 -0.027 0.000 2.141 812 L HA -0.129 4.211 4.340 0.001 0.000 0.209 812 L C 2.380 179.237 176.870 -0.021 0.000 1.094 812 L CA 0.922 55.749 54.840 -0.022 0.000 0.763 812 L CB -0.301 41.744 42.059 -0.022 0.000 0.908 812 L HN 0.163 nan 8.230 nan 0.000 0.437 813 L N -0.658 120.552 121.223 -0.022 0.000 2.109 813 L HA -0.104 4.236 4.340 0.001 0.000 0.207 813 L C 2.904 179.761 176.870 -0.022 0.000 1.086 813 L CA 0.874 55.702 54.840 -0.021 0.000 0.760 813 L CB -0.747 41.300 42.059 -0.020 0.000 0.910 813 L HN 0.207 nan 8.230 nan 0.000 0.437 814 A N 0.594 123.400 122.820 -0.023 0.000 1.908 814 A HA -0.185 4.135 4.320 0.001 0.000 0.218 814 A C 2.258 179.827 177.584 -0.026 0.000 1.181 814 A CA 1.510 53.532 52.037 -0.024 0.000 0.627 814 A CB -0.704 18.282 19.000 -0.023 0.000 0.818 814 A HN 0.355 nan 8.150 nan 0.000 0.445 815 L N -0.964 120.245 121.223 -0.024 0.000 2.093 815 L HA -0.174 4.166 4.340 0.001 0.000 0.208 815 L C 3.084 179.937 176.870 -0.028 0.000 1.085 815 L CA 0.980 55.805 54.840 -0.024 0.000 0.755 815 L CB -0.576 41.472 42.059 -0.019 0.000 0.904 815 L HN 0.446 nan 8.230 nan 0.000 0.435 816 A N -0.496 122.309 122.820 -0.025 0.000 1.933 816 A HA -0.222 4.099 4.320 0.001 0.000 0.218 816 A C 2.318 179.883 177.584 -0.032 0.000 1.175 816 A CA 1.569 53.591 52.037 -0.025 0.000 0.628 816 A CB -0.402 18.587 19.000 -0.019 0.000 0.814 816 A HN 0.375 nan 8.150 nan 0.000 0.444 817 E N 0.708 120.889 120.200 -0.032 0.000 2.031 817 E HA -0.208 4.142 4.350 0.001 0.000 0.193 817 E C 2.240 178.811 176.600 -0.050 0.000 0.994 817 E CA 1.417 57.796 56.400 -0.036 0.000 0.800 817 E CB -0.298 29.384 29.700 -0.031 0.000 0.752 817 E HN 0.683 nan 8.360 nan 0.000 0.447 818 R N 0.270 120.738 120.500 -0.052 0.000 2.094 818 R HA -0.114 4.226 4.340 0.001 0.000 0.239 818 R C 2.770 179.010 176.300 -0.100 0.000 1.137 818 R CA 1.828 57.886 56.100 -0.070 0.000 0.943 818 R CB -0.615 29.649 30.300 -0.059 0.000 0.850 818 R HN 0.061 nan 8.270 nan 0.000 0.433 819 S N 0.996 116.644 115.700 -0.088 0.000 2.359 819 S HA -0.252 4.218 4.470 0.001 0.000 0.223 819 S C 1.948 176.476 174.600 -0.119 0.000 1.039 819 S CA 1.495 59.631 58.200 -0.107 0.000 1.042 819 S CB -0.371 62.793 63.200 -0.060 0.000 0.915 819 S HN 0.370 nan 8.310 nan 0.000 0.439 820 Q N 1.881 121.634 119.800 -0.078 0.000 2.029 820 Q HA -0.212 4.128 4.340 0.001 0.000 0.209 820 Q C 2.199 178.147 176.000 -0.088 0.000 0.999 820 Q CA 1.784 57.549 55.803 -0.064 0.000 0.857 820 Q CB -0.517 28.195 28.738 -0.043 0.000 0.926 820 Q HN 0.485 nan 8.270 nan 0.000 0.415 821 R N 0.054 120.498 120.500 -0.094 0.000 2.139 821 R HA -0.141 4.199 4.340 0.001 0.000 0.243 821 R C 2.403 178.604 176.300 -0.165 0.000 1.145 821 R CA 1.792 57.831 56.100 -0.101 0.000 0.976 821 R CB 0.104 30.352 30.300 -0.086 0.000 0.866 821 R HN 0.263 nan 8.270 nan 0.000 0.449 822 K N -0.129 120.108 120.400 -0.271 0.000 1.995 822 K HA -0.033 4.288 4.320 0.001 0.000 0.207 822 K C 2.017 178.302 176.600 -0.524 0.000 1.041 822 K CA 0.729 56.678 56.287 -0.562 0.000 0.942 822 K CB -0.175 31.840 32.500 -0.808 0.000 0.731 822 K HN 0.055 nan 8.250 nan 0.000 0.439 823 L N 0.918 121.948 121.223 -0.321 0.000 2.103 823 L HA -0.206 4.135 4.340 0.001 0.000 0.215 823 L C 2.022 178.915 176.870 0.040 0.000 1.080 823 L CA 1.803 56.627 54.840 -0.027 0.000 0.764 823 L CB -1.155 40.911 42.059 0.010 0.000 0.890 823 L HN 0.241 nan 8.230 nan 0.000 0.435 824 A N -1.354 121.454 122.820 -0.020 0.000 2.411 824 A HA 0.137 4.457 4.320 0.001 0.000 0.251 824 A C 1.101 178.691 177.584 0.009 0.000 1.317 824 A CA 0.037 52.079 52.037 0.007 0.000 0.904 824 A CB -0.193 18.803 19.000 -0.008 0.000 0.993 824 A HN 0.271 nan 8.150 nan 0.000 0.504 825 S N 1.668 117.376 115.700 0.013 0.000 2.586 825 S HA 0.482 4.952 4.470 0.001 0.000 0.274 825 S C -2.647 172.009 174.600 0.094 0.000 1.281 825 S CA -1.522 56.697 58.200 0.031 0.000 1.035 825 S CB 0.606 63.799 63.200 -0.011 0.000 0.962 825 S HN 0.316 nan 8.310 nan 0.000 0.512 826 P HA 0.233 nan 4.420 nan 0.000 0.270 826 P C 0.847 178.198 177.300 0.086 0.000 1.242 826 P CA 0.610 63.749 63.100 0.065 0.000 0.768 826 P CB 0.308 32.032 31.700 0.040 0.000 0.820 827 G N 4.271 113.119 108.800 0.079 0.000 2.363 827 G HA2 -0.412 3.548 3.960 0.001 0.000 0.238 827 G HA3 -0.412 3.548 3.960 0.001 0.000 0.238 827 G C 0.702 175.645 174.900 0.072 0.000 1.062 827 G CA 0.287 45.424 45.100 0.061 0.000 0.629 827 G HN 0.472 nan 8.290 nan 0.000 0.514 828 F N 2.455 122.405 119.950 0.000 0.000 2.120 828 F HA -0.053 4.475 4.527 0.001 0.000 0.300 828 F C 2.727 178.528 175.800 0.001 0.000 1.095 828 F CA 2.573 60.573 58.000 0.001 0.000 1.249 828 F CB -0.151 38.849 39.000 0.000 0.000 0.995 828 F HN 0.138 nan 8.300 nan 0.000 0.480 829 R N 0.481 121.050 120.500 0.114 0.000 2.140 829 R HA -0.219 4.122 4.340 0.001 0.000 0.250 829 R C 1.683 177.916 176.300 -0.112 0.000 1.150 829 R CA 2.295 58.410 56.100 0.026 0.000 0.966 829 R CB -0.649 29.701 30.300 0.083 0.000 0.869 829 R HN 0.516 nan 8.270 nan 0.000 0.445 830 E N -1.469 118.670 120.200 -0.102 0.000 2.414 830 E HA 0.103 4.453 4.350 0.001 0.000 0.208 830 E C 1.218 177.749 176.600 -0.116 0.000 0.820 830 E CA -0.037 56.304 56.400 -0.098 0.000 1.143 830 E CB -0.217 29.455 29.700 -0.047 0.000 1.150 830 E HN -0.053 nan 8.360 nan 0.000 0.540 831 K N 1.022 121.357 120.400 -0.107 0.000 2.574 831 K HA 0.245 4.565 4.320 0.001 0.000 0.193 831 K C 0.370 176.888 176.600 -0.137 0.000 1.035 831 K CA 0.535 56.768 56.287 -0.090 0.000 0.982 831 K CB -0.083 32.389 32.500 -0.047 0.000 0.795 831 K HN 0.202 nan 8.250 nan 0.000 0.491 832 A N 1.768 124.440 122.820 -0.247 0.000 2.354 832 A HA 0.573 4.893 4.320 0.001 0.000 0.321 832 A C -2.578 174.867 177.584 -0.231 0.000 1.125 832 A CA -1.806 50.054 52.037 -0.295 0.000 0.799 832 A CB 0.659 19.287 19.000 -0.621 0.000 1.293 832 A HN -0.118 nan 8.150 nan 0.000 0.452 833 P HA -0.029 nan 4.420 nan 0.000 0.264 833 P C 0.252 177.487 177.300 -0.110 0.000 1.179 833 P CA 0.114 63.151 63.100 -0.105 0.000 0.763 833 P CB 0.491 32.149 31.700 -0.069 0.000 0.806 834 K N 3.321 123.678 120.400 -0.073 0.000 2.665 834 K HA -0.125 4.196 4.320 0.001 0.000 0.196 834 K C 0.865 177.442 176.600 -0.037 0.000 1.021 834 K CA 1.162 57.415 56.287 -0.056 0.000 1.066 834 K CB -0.105 32.373 32.500 -0.037 0.000 0.849 834 K HN 0.555 nan 8.250 nan 0.000 0.500 835 E N 0.143 120.320 120.200 -0.039 0.000 2.905 835 E HA -0.025 4.325 4.350 0.001 0.000 0.197 835 E C 1.447 178.046 176.600 -0.001 0.000 1.016 835 E CA -0.015 56.376 56.400 -0.014 0.000 1.307 835 E CB 0.279 29.974 29.700 -0.008 0.000 1.255 835 E HN 0.005 nan 8.360 nan 0.000 0.527 836 V N 1.330 121.238 119.914 -0.010 0.000 2.867 836 V HA -0.125 3.995 4.120 0.001 0.000 0.260 836 V C 1.992 178.130 176.094 0.074 0.000 1.099 836 V CA 1.558 63.877 62.300 0.031 0.000 1.122 836 V CB 0.262 32.099 31.823 0.024 0.000 0.708 836 V HN 0.317 nan 8.190 nan 0.000 0.490 837 V N 0.856 120.759 119.914 -0.018 0.000 2.426 837 V HA -0.078 4.043 4.120 0.001 0.000 0.242 837 V C 2.421 178.577 176.094 0.102 0.000 1.036 837 V CA 2.007 64.319 62.300 0.020 0.000 1.044 837 V CB 0.032 31.738 31.823 -0.194 0.000 0.688 837 V HN 0.859 nan 8.190 nan 0.000 0.462 838 E N 1.310 121.535 120.200 0.042 0.000 2.204 838 E HA -0.014 4.337 4.350 0.001 0.000 0.194 838 E C 1.855 178.487 176.600 0.053 0.000 0.989 838 E CA 1.650 58.077 56.400 0.045 0.000 0.824 838 E CB -0.732 28.981 29.700 0.021 0.000 0.756 838 E HN 0.558 nan 8.360 nan 0.000 0.477 839 A N 1.059 123.913 122.820 0.057 0.000 1.903 839 A HA -0.053 4.268 4.320 0.001 0.000 0.213 839 A C 2.143 179.767 177.584 0.066 0.000 1.185 839 A CA 1.134 53.203 52.037 0.053 0.000 0.628 839 A CB -0.494 18.534 19.000 0.046 0.000 0.830 839 A HN 0.216 nan 8.150 nan 0.000 0.446 840 E N 0.244 120.508 120.200 0.106 0.000 2.463 840 E HA -0.163 4.187 4.350 0.001 0.000 0.201 840 E C 1.638 178.281 176.600 0.071 0.000 1.045 840 E CA 1.317 57.779 56.400 0.102 0.000 0.872 840 E CB -0.161 29.654 29.700 0.193 0.000 0.797 840 E HN 0.738 nan 8.360 nan 0.000 0.538 841 E N -1.388 118.859 120.200 0.078 0.000 2.251 841 E HA 0.106 4.456 4.350 0.001 0.000 0.194 841 E C 1.503 178.123 176.600 0.035 0.000 0.964 841 E CA 0.563 56.997 56.400 0.056 0.000 0.868 841 E CB 0.036 29.776 29.700 0.067 0.000 0.828 841 E HN 0.291 nan 8.360 nan 0.000 0.481 842 A N 0.584 123.424 122.820 0.034 0.000 2.208 842 A HA 0.053 4.373 4.320 0.001 0.000 0.209 842 A C 1.834 179.429 177.584 0.018 0.000 1.161 842 A CA 0.176 52.226 52.037 0.023 0.000 0.782 842 A CB -0.090 18.923 19.000 0.023 0.000 0.816 842 A HN 0.072 nan 8.150 nan 0.000 0.477 843 R N -1.330 119.182 120.500 0.019 0.000 2.080 843 R HA 0.082 4.423 4.340 0.001 0.000 0.222 843 R C 1.959 178.262 176.300 0.004 0.000 1.107 843 R CA 0.964 57.071 56.100 0.011 0.000 0.980 843 R CB -0.365 29.942 30.300 0.011 0.000 0.879 843 R HN 0.449 nan 8.270 nan 0.000 0.439 844 L N 1.841 123.066 121.223 0.003 0.000 2.017 844 L HA -0.170 4.170 4.340 0.001 0.000 0.208 844 L C 2.240 179.111 176.870 0.001 0.000 1.073 844 L CA 1.839 56.678 54.840 -0.002 0.000 0.745 844 L CB -0.383 41.674 42.059 -0.003 0.000 0.894 844 L HN -0.081 nan 8.230 nan 0.000 0.432 845 K N 0.365 120.769 120.400 0.006 0.000 2.059 845 K HA -0.272 4.049 4.320 0.001 0.000 0.212 845 K C 1.935 178.537 176.600 0.004 0.000 1.050 845 K CA 2.402 58.693 56.287 0.007 0.000 0.927 845 K CB -0.319 32.187 32.500 0.010 0.000 0.714 845 K HN 0.731 nan 8.250 nan 0.000 0.447 846 E N -1.352 118.850 120.200 0.004 0.000 2.340 846 E HA -0.033 4.317 4.350 0.001 0.000 0.194 846 E C 1.414 178.013 176.600 -0.001 0.000 0.996 846 E CA 0.326 56.727 56.400 0.002 0.000 0.869 846 E CB -0.153 29.548 29.700 0.001 0.000 0.835 846 E HN 0.204 nan 8.360 nan 0.000 0.493 847 N N 1.213 119.911 118.700 -0.002 0.000 2.205 847 N HA -0.106 4.634 4.740 0.001 0.000 0.186 847 N C 1.668 177.174 175.510 -0.006 0.000 1.015 847 N CA 0.839 53.886 53.050 -0.006 0.000 0.862 847 N CB -0.091 38.391 38.487 -0.009 0.000 0.986 847 N HN 0.217 nan 8.380 nan 0.000 0.429 848 L N 1.716 122.937 121.223 -0.004 0.000 2.007 848 L HA -0.046 4.294 4.340 0.001 0.000 0.205 848 L C 2.093 178.963 176.870 0.001 0.000 1.073 848 L CA 1.363 56.202 54.840 -0.002 0.000 0.744 848 L CB -1.335 40.723 42.059 -0.001 0.000 0.898 848 L HN 0.239 nan 8.230 nan 0.000 0.435 849 E N -0.309 119.893 120.200 0.003 0.000 2.136 849 E HA -0.301 4.049 4.350 0.001 0.000 0.202 849 E C 2.098 178.703 176.600 0.008 0.000 1.019 849 E CA 1.587 57.990 56.400 0.006 0.000 0.819 849 E CB -0.119 29.584 29.700 0.006 0.000 0.739 849 E HN 0.610 nan 8.360 nan 0.000 0.458 850 Q N 0.135 119.938 119.800 0.004 0.000 2.020 850 Q HA -0.068 4.272 4.340 0.001 0.000 0.198 850 Q C 2.372 178.373 176.000 0.003 0.000 0.974 850 Q CA 1.045 56.851 55.803 0.005 0.000 0.829 850 Q CB -0.220 28.517 28.738 -0.000 0.000 0.894 850 Q HN 0.262 nan 8.270 nan 0.000 0.433 851 A N 1.285 124.103 122.820 -0.004 0.000 1.997 851 A HA -0.302 4.018 4.320 0.001 0.000 0.221 851 A C 1.953 179.537 177.584 -0.001 0.000 1.172 851 A CA 1.983 54.015 52.037 -0.009 0.000 0.645 851 A CB -0.497 18.497 19.000 -0.011 0.000 0.813 851 A HN 0.339 nan 8.150 nan 0.000 0.454 852 E N 0.163 120.367 120.200 0.006 0.000 2.016 852 E HA -0.139 4.212 4.350 0.001 0.000 0.190 852 E C 2.143 178.758 176.600 0.025 0.000 0.985 852 E CA 1.514 57.922 56.400 0.014 0.000 0.802 852 E CB -0.361 29.347 29.700 0.014 0.000 0.762 852 E HN 0.606 nan 8.360 nan 0.000 0.448 853 R N 0.207 120.725 120.500 0.030 0.000 2.112 853 R HA -0.155 4.185 4.340 0.001 0.000 0.242 853 R C 2.635 178.972 176.300 0.062 0.000 1.137 853 R CA 1.955 58.084 56.100 0.049 0.000 0.944 853 R CB -0.743 29.587 30.300 0.050 0.000 0.857 853 R HN 0.297 nan 8.270 nan 0.000 0.435 854 I N 0.315 120.908 120.570 0.038 0.000 2.127 854 I HA -0.319 3.852 4.170 0.001 0.000 0.241 854 I C 2.908 179.040 176.117 0.026 0.000 1.075 854 I CA 1.287 62.601 61.300 0.023 0.000 1.334 854 I CB -0.449 37.529 38.000 -0.037 0.000 1.040 854 I HN 0.228 nan 8.210 nan 0.000 0.405 855 R N 1.053 121.561 120.500 0.012 0.000 2.112 855 R HA -0.277 4.064 4.340 0.001 0.000 0.242 855 R C 2.297 178.624 176.300 0.044 0.000 1.137 855 R CA 2.221 58.331 56.100 0.016 0.000 0.944 855 R CB -0.440 29.866 30.300 0.010 0.000 0.857 855 R HN 0.385 nan 8.270 nan 0.000 0.435 856 E N 0.110 120.342 120.200 0.054 0.000 2.051 856 E HA -0.177 4.173 4.350 0.001 0.000 0.192 856 E C 1.780 178.440 176.600 0.101 0.000 0.991 856 E CA 1.415 57.854 56.400 0.064 0.000 0.799 856 E CB -0.151 29.582 29.700 0.055 0.000 0.748 856 E HN 0.465 nan 8.360 nan 0.000 0.449 857 A N 1.557 124.463 122.820 0.143 0.000 1.858 857 A HA -0.187 4.133 4.320 0.001 0.000 0.216 857 A C 2.257 180.044 177.584 0.339 0.000 1.190 857 A CA 1.488 53.668 52.037 0.238 0.000 0.617 857 A CB -0.913 18.294 19.000 0.344 0.000 0.827 857 A HN 0.351 nan 8.150 nan 0.000 0.443 858 L N 0.855 122.246 121.223 0.281 0.000 2.051 858 L HA -0.217 4.123 4.340 0.001 0.000 0.214 858 L C 2.853 179.832 176.870 0.182 0.000 1.076 858 L CA 2.858 57.823 54.840 0.207 0.000 0.758 858 L CB -0.722 41.330 42.059 -0.011 0.000 0.890 858 L HN 0.605 nan 8.230 nan 0.000 0.433 859 S N -2.346 113.426 115.700 0.120 0.000 2.388 859 S HA -0.188 4.282 4.470 0.001 0.000 0.223 859 S C 1.955 176.608 174.600 0.088 0.000 1.034 859 S CA 0.689 58.941 58.200 0.086 0.000 0.963 859 S CB -0.503 62.730 63.200 0.054 0.000 0.827 859 S HN 0.459 nan 8.310 nan 0.000 0.481 860 Q N 0.949 120.803 119.800 0.091 0.000 2.133 860 Q HA -0.029 4.312 4.340 0.001 0.000 0.208 860 Q C 0.376 176.410 176.000 0.056 0.000 0.991 860 Q CA 1.067 56.908 55.803 0.063 0.000 0.867 860 Q CB -0.594 28.179 28.738 0.059 0.000 0.911 860 Q HN 0.520 nan 8.270 nan 0.000 0.417 861 I N 1.652 122.278 120.570 0.093 0.000 2.664 861 I HA -0.015 4.155 4.170 0.001 0.000 0.284 861 I C 1.079 177.233 176.117 0.061 0.000 1.154 861 I CA 0.747 62.081 61.300 0.057 0.000 1.402 861 I CB -0.384 37.684 38.000 0.114 0.000 1.395 861 I HN 0.275 nan 8.210 nan 0.000 0.545 862 G N 0.000 108.813 108.800 0.022 0.000 5.446 862 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 862 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 862 G CA 0.000 45.114 45.100 0.023 0.000 0.502 862 G HN 0.000 nan 8.290 nan 0.000 0.925