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 1hdh_1_A DATA FIRST_RESID 3 DATA SEQUENCE KRPNFLVIVA DDLGFSDIGA FGGEIATPNL DALAIAGLRL TDFHTASTXS DATA SEQUENCE PTRSMLLTGT DHHIAGIGTM AEALTPELEG KPGYEGHLNE RVVALPELLR DATA SEQUENCE EAGYQTLMAG KWHLGLKPEQ TPHARGFERS FSLLPGAANH YGFEPPYDES DATA SEQUENCE TPRILKGTPA LYVEDERYLD TLPEGFYSSD AFGDKLLQYL KERDQSRPFF DATA SEQUENCE AYLPFSAPHW PLQAPREIVE KYRGRYDAGP EALRQERLAR LKELGLVEAD DATA SEQUENCE VEAHPVLALT REWEALEDEE RAKSARAMEV YAAMVERMDW NIGRVVDYLR DATA SEQUENCE RQGELDNTFV LFMSDNGAEG ALLEAFPKFG PDLLGFLDRH YDNSLENIGR DATA SEQUENCE ANSYVWYGPR WAQAATAPSR LYKAFTTQGG IRVPALVRYP RLSRQGAISH DATA SEQUENCE AFATVMDVTP TLLDLAGVRH PGKRWRGREI AEPRGRSWLG WLSGETEAAH DATA SEQUENCE DENTVTGWEL FGMRAIRQGD WKAVYLPAPV GPATWQLYDL ARDPGEIHDL DATA SEQUENCE ADSQPGKLAE LIEHWKRYVS ETGVV 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.591 176.600 -0.014 0.000 0.988 3 K CA 0.000 56.279 56.287 -0.013 0.000 0.838 3 K CB 0.000 32.493 32.500 -0.011 0.000 1.064 4 R N 3.095 123.572 120.500 -0.039 0.000 2.570 4 R HA 0.219 4.558 4.340 -0.001 0.000 0.277 4 R C -2.086 174.142 176.300 -0.121 0.000 1.039 4 R CA -1.173 54.904 56.100 -0.038 0.000 1.065 4 R CB 0.474 30.751 30.300 -0.038 0.000 0.964 4 R HN 0.493 nan 8.270 nan 0.000 0.428 5 P HA 0.058 nan 4.420 nan 0.000 0.276 5 P C -0.871 176.062 177.300 -0.611 0.000 1.244 5 P CA -0.443 62.482 63.100 -0.291 0.000 0.801 5 P CB 0.635 32.153 31.700 -0.304 0.000 1.006 6 N N 0.735 119.054 118.700 -0.636 0.000 2.445 6 N HA 0.312 5.052 4.740 -0.001 0.000 0.264 6 N C -0.461 174.545 175.510 -0.838 0.000 1.227 6 N CA 0.297 52.812 53.050 -0.892 0.000 0.963 6 N CB 0.129 37.809 38.487 -1.346 0.000 1.188 6 N HN 0.310 nan 8.380 nan 0.000 0.491 7 F N 0.291 120.191 119.950 -0.085 0.000 2.540 7 F HA 0.449 4.975 4.527 -0.001 0.000 0.317 7 F C -0.178 175.714 175.800 0.152 0.000 1.104 7 F CA -0.966 57.100 58.000 0.109 0.000 0.913 7 F CB 1.338 40.481 39.000 0.240 0.000 1.170 7 F HN 0.126 nan 8.300 nan 0.000 0.450 8 L N 4.122 125.570 121.223 0.374 0.000 2.415 8 L HA 0.700 5.039 4.340 -0.001 0.000 0.268 8 L C -1.528 175.496 176.870 0.256 0.000 0.984 8 L CA -0.540 54.475 54.840 0.291 0.000 0.853 8 L CB 1.444 43.681 42.059 0.298 0.000 1.215 8 L HN 0.368 nan 8.230 nan 0.000 0.419 9 V N 6.889 126.917 119.914 0.190 0.000 2.334 9 V HA 0.485 4.605 4.120 -0.001 0.000 0.281 9 V C 0.061 176.297 176.094 0.237 0.000 1.016 9 V CA -0.300 62.144 62.300 0.241 0.000 0.832 9 V CB 1.286 33.258 31.823 0.249 0.000 0.999 9 V HN 0.577 nan 8.190 nan 0.000 0.439 10 I N 5.468 126.172 120.570 0.223 0.000 2.378 10 I HA 0.542 4.711 4.170 -0.001 0.000 0.291 10 I C -0.602 175.575 176.117 0.099 0.000 0.992 10 I CA -0.770 60.664 61.300 0.222 0.000 1.154 10 I CB 1.945 40.206 38.000 0.434 0.000 1.315 10 I HN 0.243 nan 8.210 nan 0.000 0.448 11 V N 5.520 125.467 119.914 0.056 0.000 2.444 11 V HA 0.606 4.725 4.120 -0.001 0.000 0.294 11 V C 0.387 176.519 176.094 0.064 0.000 1.022 11 V CA -0.639 61.639 62.300 -0.036 0.000 0.850 11 V CB 1.527 33.372 31.823 0.036 0.000 0.992 11 V HN 0.850 nan 8.190 nan 0.000 0.426 12 A N 2.932 125.733 122.820 -0.031 0.000 2.322 12 A HA 0.599 4.918 4.320 -0.001 0.000 0.269 12 A C -0.226 177.404 177.584 0.078 0.000 1.094 12 A CA -0.221 51.889 52.037 0.121 0.000 0.807 12 A CB 0.532 19.639 19.000 0.179 0.000 1.047 12 A HN 0.786 nan 8.150 nan 0.000 0.487 13 D N 0.838 121.299 120.400 0.102 0.000 2.460 13 D HA 0.399 5.038 4.640 -0.001 0.000 0.232 13 D C -0.770 175.599 176.300 0.114 0.000 1.079 13 D CA 0.229 54.290 54.000 0.101 0.000 0.864 13 D CB 0.290 41.144 40.800 0.090 0.000 1.048 13 D HN 0.466 nan 8.370 nan 0.000 0.523 14 D N 1.126 121.597 120.400 0.118 0.000 3.070 14 D HA -0.212 4.427 4.640 -0.001 0.000 0.210 14 D C 0.214 176.625 176.300 0.186 0.000 1.103 14 D CA 0.235 54.314 54.000 0.132 0.000 0.980 14 D CB -1.477 39.358 40.800 0.058 0.000 1.100 14 D HN 0.376 nan 8.370 nan 0.000 0.423 15 L N 0.909 122.231 121.223 0.166 0.000 2.485 15 L HA 0.472 4.811 4.340 -0.001 0.000 0.275 15 L C 1.183 178.195 176.870 0.236 0.000 1.207 15 L CA 0.719 55.686 54.840 0.211 0.000 0.855 15 L CB 0.723 42.880 42.059 0.163 0.000 1.114 15 L HN 0.092 nan 8.230 nan 0.000 0.485 16 G N 3.135 112.109 108.800 0.290 0.000 2.504 16 G HA2 0.152 4.112 3.960 -0.001 0.000 0.288 16 G HA3 0.152 4.112 3.960 -0.001 0.000 0.288 16 G C 0.239 175.275 174.900 0.227 0.000 1.182 16 G CA -0.287 44.971 45.100 0.263 0.000 0.894 16 G HN 0.786 nan 8.290 nan 0.000 0.521 17 F N 1.251 121.256 119.950 0.091 0.000 2.095 17 F HA -0.151 4.376 4.527 -0.001 0.000 0.298 17 F C 2.566 178.425 175.800 0.099 0.000 1.104 17 F CA 2.243 60.276 58.000 0.054 0.000 1.232 17 F CB 0.052 39.104 39.000 0.087 0.000 0.987 17 F HN 0.375 nan 8.300 nan 0.000 0.475 18 S N -1.585 114.155 115.700 0.067 0.000 2.582 18 S HA 0.112 4.582 4.470 -0.001 0.000 0.234 18 S C 1.173 175.830 174.600 0.095 0.000 0.961 18 S CA -0.105 58.107 58.200 0.020 0.000 0.953 18 S CB -0.354 62.914 63.200 0.114 0.000 0.800 18 S HN 0.283 nan 8.310 nan 0.000 0.471 19 D N 2.167 122.636 120.400 0.114 0.000 2.117 19 D HA 0.114 4.754 4.640 -0.001 0.000 0.198 19 D C 0.727 177.096 176.300 0.116 0.000 0.982 19 D CA 0.624 54.716 54.000 0.152 0.000 0.828 19 D CB -0.127 40.799 40.800 0.210 0.000 0.967 19 D HN 0.458 nan 8.370 nan 0.000 0.464 20 I N 0.866 121.491 120.570 0.092 0.000 2.634 20 I HA 0.015 4.184 4.170 -0.001 0.000 0.284 20 I C 2.017 178.206 176.117 0.120 0.000 1.124 20 I CA -0.121 61.233 61.300 0.090 0.000 1.417 20 I CB 1.539 39.595 38.000 0.093 0.000 1.396 20 I HN -0.054 nan 8.210 nan 0.000 0.571 21 G N 4.007 112.855 108.800 0.081 0.000 2.440 21 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.218 21 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.218 21 G C 1.519 176.445 174.900 0.043 0.000 1.154 21 G CA 0.863 46.001 45.100 0.062 0.000 0.767 21 G HN 0.790 nan 8.290 nan 0.000 0.552 22 A N -0.625 122.218 122.820 0.038 0.000 2.209 22 A HA 0.386 4.705 4.320 -0.001 0.000 0.212 22 A C 1.375 178.834 177.584 -0.208 0.000 1.158 22 A CA 0.398 52.393 52.037 -0.070 0.000 0.742 22 A CB -0.282 18.666 19.000 -0.087 0.000 0.790 22 A HN 0.309 nan 8.150 nan 0.000 0.472 23 F N -1.116 118.777 119.950 -0.094 0.000 2.668 23 F HA 0.408 4.935 4.527 -0.001 0.000 0.301 23 F C 1.576 177.285 175.800 -0.152 0.000 1.106 23 F CA 0.529 58.418 58.000 -0.185 0.000 1.289 23 F CB 0.674 39.493 39.000 -0.301 0.000 1.006 23 F HN 0.294 nan 8.300 nan 0.000 0.535 24 G N -0.061 108.765 108.800 0.045 0.000 2.179 24 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.220 24 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.220 24 G C 0.567 175.513 174.900 0.076 0.000 0.990 24 G CA -0.349 44.781 45.100 0.049 0.000 0.646 24 G HN 0.708 nan 8.290 nan 0.000 0.517 25 G N -0.112 108.744 108.800 0.093 0.000 2.477 25 G HA2 0.581 4.540 3.960 -0.001 0.000 0.304 25 G HA3 0.581 4.540 3.960 -0.001 0.000 0.304 25 G C 0.799 175.768 174.900 0.115 0.000 1.175 25 G CA 0.551 45.721 45.100 0.117 0.000 0.907 25 G HN 0.427 nan 8.290 nan 0.000 0.509 26 E N 0.213 120.501 120.200 0.148 0.000 2.474 26 E HA 0.013 4.363 4.350 -0.001 0.000 0.194 26 E C 0.613 177.338 176.600 0.208 0.000 1.041 26 E CA -0.094 56.395 56.400 0.148 0.000 0.874 26 E CB -0.007 29.777 29.700 0.140 0.000 0.914 26 E HN 0.461 nan 8.360 nan 0.000 0.498 27 I N 2.126 122.827 120.570 0.218 0.000 2.529 27 I HA 0.128 4.298 4.170 -0.001 0.000 0.284 27 I C 0.480 176.714 176.117 0.194 0.000 1.082 27 I CA -0.468 60.981 61.300 0.249 0.000 1.406 27 I CB 1.144 39.214 38.000 0.117 0.000 1.405 27 I HN -0.012 nan 8.210 nan 0.000 0.548 28 A N 4.402 127.371 122.820 0.248 0.000 2.444 28 A HA 0.351 4.670 4.320 -0.001 0.000 0.287 28 A C 0.546 178.180 177.584 0.084 0.000 1.195 28 A CA -0.089 52.029 52.037 0.134 0.000 0.858 28 A CB -0.592 18.477 19.000 0.115 0.000 1.117 28 A HN 0.802 nan 8.150 nan 0.000 0.521 29 T N 1.008 115.589 114.554 0.045 0.000 3.630 29 T HA 0.406 4.755 4.350 -0.001 0.000 0.238 29 T C -1.881 172.814 174.700 -0.007 0.000 1.195 29 T CA -0.944 61.157 62.100 0.001 0.000 1.433 29 T CB 0.863 69.711 68.868 -0.033 0.000 0.940 29 T HN 0.395 nan 8.240 nan 0.000 0.641 30 P HA -0.080 nan 4.420 nan 0.000 0.218 30 P C 1.217 178.511 177.300 -0.011 0.000 1.149 30 P CA 0.958 64.061 63.100 0.006 0.000 0.817 30 P CB 0.223 31.936 31.700 0.022 0.000 0.785 31 N N 0.038 118.727 118.700 -0.017 0.000 2.106 31 N HA -0.040 4.700 4.740 -0.001 0.000 0.188 31 N C 2.040 177.515 175.510 -0.059 0.000 1.029 31 N CA 0.947 53.978 53.050 -0.033 0.000 0.848 31 N CB -0.692 37.775 38.487 -0.034 0.000 1.007 31 N HN 0.208 nan 8.380 nan 0.000 0.423 32 L N 1.182 122.342 121.223 -0.105 0.000 2.141 32 L HA -0.136 4.203 4.340 -0.001 0.000 0.209 32 L C 1.632 178.455 176.870 -0.079 0.000 1.094 32 L CA 0.918 55.663 54.840 -0.159 0.000 0.763 32 L CB -0.291 41.570 42.059 -0.329 0.000 0.908 32 L HN 0.001 nan 8.230 nan 0.000 0.437 33 D N 0.260 120.631 120.400 -0.048 0.000 2.117 33 D HA -0.169 4.471 4.640 -0.001 0.000 0.197 33 D C 2.227 178.509 176.300 -0.030 0.000 0.987 33 D CA 1.484 55.468 54.000 -0.026 0.000 0.829 33 D CB -0.054 40.735 40.800 -0.017 0.000 0.961 33 D HN 0.307 nan 8.370 nan 0.000 0.460 34 A N 0.447 123.251 122.820 -0.028 0.000 1.930 34 A HA -0.101 4.219 4.320 -0.001 0.000 0.217 34 A C 2.359 179.928 177.584 -0.024 0.000 1.175 34 A CA 0.845 52.867 52.037 -0.024 0.000 0.627 34 A CB -0.722 18.267 19.000 -0.019 0.000 0.815 34 A HN 0.201 nan 8.150 nan 0.000 0.443 35 L N -0.816 120.393 121.223 -0.022 0.000 2.046 35 L HA -0.186 4.153 4.340 -0.001 0.000 0.208 35 L C 3.101 179.963 176.870 -0.013 0.000 1.077 35 L CA 1.106 55.938 54.840 -0.013 0.000 0.747 35 L CB -0.531 41.525 42.059 -0.005 0.000 0.896 35 L HN 0.430 nan 8.230 nan 0.000 0.432 36 A N 0.798 123.612 122.820 -0.010 0.000 1.873 36 A HA -0.180 4.140 4.320 -0.001 0.000 0.215 36 A C 2.205 179.753 177.584 -0.062 0.000 1.186 36 A CA 1.841 53.871 52.037 -0.011 0.000 0.616 36 A CB -0.726 18.277 19.000 0.005 0.000 0.823 36 A HN 0.552 nan 8.150 nan 0.000 0.442 37 I N -3.417 117.115 120.570 -0.063 0.000 2.617 37 I HA 0.103 4.273 4.170 -0.001 0.000 0.256 37 I C 2.233 178.315 176.117 -0.059 0.000 1.167 37 I CA 1.231 62.488 61.300 -0.072 0.000 1.469 37 I CB -0.300 37.663 38.000 -0.062 0.000 1.098 37 I HN 0.157 nan 8.210 nan 0.000 0.436 38 A N 1.532 124.324 122.820 -0.047 0.000 2.016 38 A HA 0.341 4.660 4.320 -0.001 0.000 0.217 38 A C 1.737 179.290 177.584 -0.052 0.000 1.162 38 A CA 0.931 52.941 52.037 -0.044 0.000 0.662 38 A CB -1.020 17.960 19.000 -0.034 0.000 0.812 38 A HN 0.536 nan 8.150 nan 0.000 0.450 39 G N -1.174 107.594 108.800 -0.053 0.000 2.630 39 G HA2 0.466 4.425 3.960 -0.001 0.000 0.223 39 G HA3 0.466 4.425 3.960 -0.001 0.000 0.223 39 G C -0.692 174.159 174.900 -0.082 0.000 1.434 39 G CA -0.401 44.659 45.100 -0.066 0.000 1.057 39 G HN 0.382 nan 8.290 nan 0.000 0.570 40 L N 0.200 121.365 121.223 -0.096 0.000 2.298 40 L HA 0.548 4.888 4.340 -0.001 0.000 0.284 40 L C 0.171 177.007 176.870 -0.056 0.000 1.013 40 L CA -0.584 54.191 54.840 -0.107 0.000 0.824 40 L CB 1.238 43.186 42.059 -0.186 0.000 1.221 40 L HN 0.391 nan 8.230 nan 0.000 0.418 41 R N 5.423 125.891 120.500 -0.053 0.000 2.297 41 R HA 0.603 4.942 4.340 -0.001 0.000 0.308 41 R C -1.135 175.236 176.300 0.118 0.000 1.029 41 R CA -0.517 55.583 56.100 0.000 0.000 0.929 41 R CB 0.922 31.030 30.300 -0.320 0.000 1.046 41 R HN 0.582 nan 8.270 nan 0.000 0.461 42 L N 2.340 123.739 121.223 0.293 0.000 2.307 42 L HA 0.356 4.696 4.340 -0.001 0.000 0.284 42 L C 1.189 178.359 176.870 0.500 0.000 1.023 42 L CA -0.462 54.571 54.840 0.321 0.000 0.810 42 L CB 1.918 44.124 42.059 0.245 0.000 1.231 42 L HN 0.795 nan 8.230 nan 0.000 0.423 43 T N -3.842 110.981 114.554 0.449 0.000 3.044 43 T HA 0.084 4.434 4.350 -0.001 0.000 0.260 43 T C 0.477 175.348 174.700 0.284 0.000 1.019 43 T CA -0.048 62.357 62.100 0.508 0.000 0.921 43 T CB 0.123 69.304 68.868 0.523 0.000 1.053 43 T HN 0.435 nan 8.240 nan 0.000 0.533 44 D N 0.499 121.075 120.400 0.294 0.000 2.804 44 D HA 0.316 4.956 4.640 -0.001 0.000 0.308 44 D C -1.138 175.327 176.300 0.274 0.000 1.371 44 D CA -0.877 53.290 54.000 0.277 0.000 0.823 44 D CB -0.158 40.865 40.800 0.371 0.000 1.126 44 D HN 0.378 nan 8.370 nan 0.000 0.467 45 F N 1.067 121.025 119.950 0.013 0.000 2.408 45 F HA 0.498 5.024 4.527 -0.001 0.000 0.344 45 F C -0.608 175.094 175.800 -0.163 0.000 1.112 45 F CA -0.385 57.646 58.000 0.051 0.000 1.096 45 F CB 0.722 39.810 39.000 0.146 0.000 1.129 45 F HN -0.046 nan 8.300 nan 0.000 0.486 46 H N 1.855 120.515 119.070 -0.683 0.000 2.637 46 H HA 0.510 5.066 4.556 -0.001 0.000 0.363 46 H C 0.045 175.114 175.328 -0.432 0.000 1.131 46 H CA -0.424 55.423 56.048 -0.334 0.000 1.183 46 H CB 1.861 31.677 29.762 0.089 0.000 1.637 46 H HN 0.695 nan 8.280 nan 0.000 0.531 47 T N -0.913 113.641 114.554 -0.001 0.000 2.768 47 T HA 0.849 5.198 4.350 -0.001 0.000 0.268 47 T C 0.445 175.331 174.700 0.310 0.000 0.969 47 T CA -0.665 61.485 62.100 0.083 0.000 1.008 47 T CB 0.995 69.909 68.868 0.076 0.000 1.371 47 T HN 0.632 nan 8.240 nan 0.000 0.587 48 A N 0.365 123.307 122.820 0.204 0.000 2.240 48 A HA 0.609 4.928 4.320 -0.001 0.000 0.292 48 A C 1.505 179.161 177.584 0.121 0.000 1.121 48 A CA -0.059 52.117 52.037 0.231 0.000 0.851 48 A CB 0.270 19.254 19.000 -0.027 0.000 1.167 48 A HN 1.248 nan 8.150 nan 0.000 0.503 49 S N -1.482 114.267 115.700 0.080 0.000 2.558 49 S HA 0.207 4.677 4.470 -0.001 0.000 0.217 49 S C 0.690 175.335 174.600 0.075 0.000 0.975 49 S CA 0.861 59.108 58.200 0.077 0.000 0.912 49 S CB -0.743 62.506 63.200 0.081 0.000 0.776 49 S HN 1.497 nan 8.310 nan 0.000 0.526 53 P HA -0.054 nan 4.420 nan 0.000 0.215 53 P C 1.480 178.618 177.300 -0.270 0.000 1.157 53 P CA 2.452 65.261 63.100 -0.485 0.000 0.874 53 P CB -0.432 30.705 31.700 -0.939 0.000 0.790 54 T N -0.863 113.580 114.554 -0.186 0.000 2.746 54 T HA -0.122 4.228 4.350 -0.001 0.000 0.267 54 T C 1.794 176.460 174.700 -0.058 0.000 1.039 54 T CA 1.282 63.339 62.100 -0.071 0.000 1.142 54 T CB -0.471 68.393 68.868 -0.006 0.000 0.866 54 T HN 0.153 nan 8.240 nan 0.000 0.444 55 R N 1.250 121.696 120.500 -0.091 0.000 2.092 55 R HA -0.035 4.304 4.340 -0.001 0.000 0.231 55 R C 2.958 179.170 176.300 -0.146 0.000 1.119 55 R CA 1.522 57.570 56.100 -0.086 0.000 0.970 55 R CB -0.393 29.839 30.300 -0.114 0.000 0.864 55 R HN 0.462 nan 8.270 nan 0.000 0.440 56 S N 0.614 116.202 115.700 -0.187 0.000 2.399 56 S HA -0.165 4.304 4.470 -0.001 0.000 0.231 56 S C 2.002 176.528 174.600 -0.124 0.000 1.022 56 S CA 1.135 59.230 58.200 -0.175 0.000 0.983 56 S CB -0.143 62.949 63.200 -0.180 0.000 0.803 56 S HN 0.203 nan 8.310 nan 0.000 0.480 57 M N 0.316 119.862 119.600 -0.091 0.000 2.160 57 M HA 0.126 4.606 4.480 -0.001 0.000 0.264 57 M C 2.244 178.499 176.300 -0.075 0.000 1.073 57 M CA 1.078 56.336 55.300 -0.071 0.000 1.142 57 M CB -0.532 32.045 32.600 -0.038 0.000 1.358 57 M HN 0.383 nan 8.290 nan 0.000 0.422 58 L N 0.981 122.173 121.223 -0.051 0.000 2.013 58 L HA -0.165 4.174 4.340 -0.001 0.000 0.212 58 L C 1.826 178.634 176.870 -0.104 0.000 1.073 58 L CA 1.971 56.789 54.840 -0.037 0.000 0.753 58 L CB -0.497 41.574 42.059 0.019 0.000 0.890 58 L HN 0.281 nan 8.230 nan 0.000 0.432 59 L N -1.074 120.072 121.223 -0.130 0.000 2.591 59 L HA 0.054 4.394 4.340 -0.001 0.000 0.228 59 L C 1.530 178.290 176.870 -0.183 0.000 1.133 59 L CA 0.830 55.569 54.840 -0.168 0.000 0.880 59 L CB -0.759 41.217 42.059 -0.138 0.000 1.033 59 L HN 0.556 nan 8.230 nan 0.000 0.450 60 T N -6.430 108.028 114.554 -0.160 0.000 2.980 60 T HA 0.221 4.570 4.350 -0.001 0.000 0.252 60 T C 1.451 176.058 174.700 -0.155 0.000 0.962 60 T CA 0.585 62.593 62.100 -0.153 0.000 0.932 60 T CB 0.891 69.683 68.868 -0.126 0.000 1.188 60 T HN 0.200 nan 8.240 nan 0.000 0.500 61 G N 0.840 109.547 108.800 -0.155 0.000 2.148 61 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.254 61 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.254 61 G C 0.147 174.961 174.900 -0.144 0.000 0.981 61 G CA 0.665 45.668 45.100 -0.162 0.000 0.670 61 G HN 0.953 nan 8.290 nan 0.000 0.528 62 T N -1.163 113.315 114.554 -0.125 0.000 2.773 62 T HA 0.541 4.890 4.350 -0.001 0.000 0.278 62 T C -0.392 174.254 174.700 -0.091 0.000 1.011 62 T CA 0.392 62.426 62.100 -0.111 0.000 1.014 62 T CB 1.644 70.443 68.868 -0.116 0.000 1.293 62 T HN 0.252 nan 8.240 nan 0.000 0.554 63 D N -1.308 119.042 120.400 -0.084 0.000 2.304 63 D HA 0.216 4.855 4.640 -0.001 0.000 0.247 63 D C 1.351 177.585 176.300 -0.111 0.000 1.089 63 D CA -0.053 53.907 54.000 -0.066 0.000 0.910 63 D CB 0.722 41.504 40.800 -0.030 0.000 1.199 63 D HN 0.738 nan 8.370 nan 0.000 0.426 64 H N 0.635 119.604 119.070 -0.169 0.000 2.489 64 H HA -0.074 4.482 4.556 -0.001 0.000 0.293 64 H C 0.966 176.074 175.328 -0.367 0.000 1.066 64 H CA 1.537 57.414 56.048 -0.285 0.000 1.305 64 H CB -0.266 29.284 29.762 -0.353 0.000 1.386 64 H HN 0.548 nan 8.280 nan 0.000 0.551 65 H N -0.338 118.331 119.070 -0.669 0.000 2.495 65 H HA 0.104 4.660 4.556 -0.001 0.000 0.287 65 H C 1.763 176.896 175.328 -0.325 0.000 1.033 65 H CA 1.277 56.992 56.048 -0.554 0.000 1.307 65 H CB 0.183 29.620 29.762 -0.542 0.000 1.401 65 H HN 0.417 nan 8.280 nan 0.000 0.555 66 I N -0.256 120.217 120.570 -0.161 0.000 2.494 66 I HA -0.048 4.122 4.170 -0.001 0.000 0.250 66 I C 2.224 178.269 176.117 -0.119 0.000 1.112 66 I CA 0.732 61.959 61.300 -0.123 0.000 1.438 66 I CB -0.014 37.916 38.000 -0.117 0.000 1.111 66 I HN 0.246 nan 8.210 nan 0.000 0.431 67 A N 0.069 122.807 122.820 -0.137 0.000 2.208 67 A HA 0.332 4.651 4.320 -0.001 0.000 0.209 67 A C 1.727 179.226 177.584 -0.142 0.000 1.161 67 A CA 0.971 52.935 52.037 -0.122 0.000 0.782 67 A CB -0.327 18.602 19.000 -0.119 0.000 0.816 67 A HN 0.560 nan 8.150 nan 0.000 0.477 68 G N -1.287 107.401 108.800 -0.186 0.000 2.260 68 G HA2 -0.114 3.845 3.960 -0.001 0.000 0.179 68 G HA3 -0.114 3.845 3.960 -0.001 0.000 0.179 68 G C 0.086 174.822 174.900 -0.272 0.000 1.002 68 G CA 0.056 45.018 45.100 -0.229 0.000 0.677 68 G HN 0.373 nan 8.290 nan 0.000 0.486 69 I N 2.901 123.306 120.570 -0.275 0.000 3.207 69 I HA 0.339 4.509 4.170 -0.001 0.000 0.343 69 I C 1.927 177.837 176.117 -0.345 0.000 1.378 69 I CA 0.217 61.344 61.300 -0.288 0.000 1.004 69 I CB -0.394 37.443 38.000 -0.273 0.000 1.836 69 I HN 0.108 nan 8.210 nan 0.000 0.513 70 G N 1.563 109.948 108.800 -0.692 0.000 2.442 70 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.219 70 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.219 70 G C 0.871 175.290 174.900 -0.800 0.000 1.141 70 G CA 0.999 45.348 45.100 -1.252 0.000 0.763 70 G HN 0.453 nan 8.290 nan 0.000 0.554 71 T N -0.915 113.340 114.554 -0.499 0.000 2.887 71 T HA 0.554 4.904 4.350 -0.001 0.000 0.292 71 T C -0.089 174.511 174.700 -0.166 0.000 1.087 71 T CA -0.862 61.126 62.100 -0.187 0.000 1.009 71 T CB 1.031 69.950 68.868 0.085 0.000 1.203 71 T HN 0.027 nan 8.240 nan 0.000 0.518 72 M N 2.393 121.918 119.600 -0.124 0.000 2.249 72 M HA 0.220 4.699 4.480 -0.001 0.000 0.340 72 M C 1.736 178.045 176.300 0.016 0.000 1.166 72 M CA -0.169 55.092 55.300 -0.065 0.000 1.115 72 M CB 0.733 33.377 32.600 0.072 0.000 1.606 72 M HN 0.881 nan 8.290 nan 0.000 0.448 73 A N 2.748 125.557 122.820 -0.018 0.000 1.948 73 A HA -0.184 4.135 4.320 -0.001 0.000 0.220 73 A C 1.687 179.325 177.584 0.090 0.000 1.177 73 A CA 1.893 53.952 52.037 0.037 0.000 0.636 73 A CB -0.524 18.499 19.000 0.038 0.000 0.815 73 A HN 0.912 nan 8.150 nan 0.000 0.449 74 E N -0.671 119.602 120.200 0.122 0.000 2.478 74 E HA 0.208 4.558 4.350 -0.001 0.000 0.198 74 E C 1.317 178.009 176.600 0.153 0.000 1.046 74 E CA 0.757 57.245 56.400 0.146 0.000 0.870 74 E CB -0.084 29.728 29.700 0.187 0.000 0.818 74 E HN 0.594 nan 8.360 nan 0.000 0.527 75 A N 0.034 122.955 122.820 0.170 0.000 2.538 75 A HA 0.271 4.591 4.320 -0.001 0.000 0.269 75 A C 0.254 177.935 177.584 0.163 0.000 1.231 75 A CA -0.394 51.757 52.037 0.190 0.000 0.948 75 A CB 0.171 19.381 19.000 0.350 0.000 1.110 75 A HN 0.086 nan 8.150 nan 0.000 0.529 76 L N 1.372 122.674 121.223 0.131 0.000 2.452 76 L HA 0.349 4.689 4.340 -0.001 0.000 0.267 76 L C 0.926 177.853 176.870 0.095 0.000 1.188 76 L CA 0.194 55.108 54.840 0.123 0.000 0.821 76 L CB 1.319 43.442 42.059 0.106 0.000 1.102 76 L HN 0.448 nan 8.230 nan 0.000 0.470 77 T N -1.947 112.656 114.554 0.083 0.000 2.916 77 T HA 0.425 4.774 4.350 -0.001 0.000 0.292 77 T C -1.990 172.732 174.700 0.036 0.000 1.055 77 T CA -1.832 60.301 62.100 0.055 0.000 1.009 77 T CB 1.885 70.782 68.868 0.048 0.000 1.118 77 T HN 0.344 nan 8.240 nan 0.000 0.497 78 P HA -0.123 nan 4.420 nan 0.000 0.217 78 P C 0.881 178.182 177.300 0.002 0.000 1.148 78 P CA 1.264 64.374 63.100 0.016 0.000 0.828 78 P CB 0.143 31.851 31.700 0.013 0.000 0.783 79 E N -0.602 119.596 120.200 -0.005 0.000 2.268 79 E HA -0.043 4.306 4.350 -0.001 0.000 0.195 79 E C 2.043 178.608 176.600 -0.058 0.000 0.995 79 E CA 0.716 57.100 56.400 -0.026 0.000 0.836 79 E CB -0.711 28.976 29.700 -0.023 0.000 0.763 79 E HN 0.299 nan 8.360 nan 0.000 0.491 80 L N 0.049 121.242 121.223 -0.049 0.000 2.463 80 L HA 0.130 4.469 4.340 -0.001 0.000 0.219 80 L C 1.136 177.973 176.870 -0.056 0.000 1.088 80 L CA 0.130 54.904 54.840 -0.109 0.000 0.849 80 L CB -0.417 41.612 42.059 -0.049 0.000 1.012 80 L HN 0.082 nan 8.230 nan 0.000 0.468 81 E N 0.652 120.848 120.200 -0.006 0.000 2.708 81 E HA 0.218 4.568 4.350 -0.001 0.000 0.260 81 E C 1.340 177.934 176.600 -0.009 0.000 0.937 81 E CA 0.623 57.029 56.400 0.010 0.000 0.953 81 E CB -0.552 29.157 29.700 0.015 0.000 0.915 81 E HN 0.531 nan 8.360 nan 0.000 0.487 82 G N 1.324 110.127 108.800 0.006 0.000 2.234 82 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.260 82 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.260 82 G C 0.755 175.646 174.900 -0.014 0.000 0.987 82 G CA 0.596 45.694 45.100 -0.003 0.000 0.625 82 G HN 1.100 nan 8.290 nan 0.000 0.532 83 K N 2.298 122.678 120.400 -0.032 0.000 2.379 83 K HA 0.488 4.808 4.320 -0.001 0.000 0.284 83 K C -1.910 174.719 176.600 0.047 0.000 1.044 83 K CA -0.677 55.577 56.287 -0.054 0.000 0.974 83 K CB 1.031 33.384 32.500 -0.246 0.000 0.962 83 K HN 0.430 nan 8.250 nan 0.000 0.474 84 P HA 0.045 nan 4.420 nan 0.000 0.262 84 P C 0.763 178.124 177.300 0.101 0.000 1.199 84 P CA 0.890 64.014 63.100 0.040 0.000 0.763 84 P CB 0.431 32.133 31.700 0.003 0.000 0.790 85 G N 2.865 111.692 108.800 0.045 0.000 2.175 85 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.244 85 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.244 85 G C 0.087 174.928 174.900 -0.098 0.000 0.982 85 G CA -0.291 44.790 45.100 -0.031 0.000 0.641 85 G HN 0.490 nan 8.290 nan 0.000 0.527 86 Y N 1.105 121.351 120.300 -0.090 0.000 2.801 86 Y HA 0.463 5.012 4.550 -0.001 0.000 0.318 86 Y C 1.739 177.574 175.900 -0.109 0.000 1.073 86 Y CA 0.141 58.193 58.100 -0.080 0.000 1.360 86 Y CB 0.426 38.863 38.460 -0.038 0.000 1.220 86 Y HN 0.303 nan 8.280 nan 0.000 0.536 87 E N -0.042 120.092 120.200 -0.109 0.000 2.274 87 E HA 0.053 4.403 4.350 -0.001 0.000 0.194 87 E C 2.050 178.500 176.600 -0.249 0.000 0.996 87 E CA 0.999 57.261 56.400 -0.230 0.000 0.840 87 E CB -0.091 29.316 29.700 -0.488 0.000 0.772 87 E HN 0.502 nan 8.360 nan 0.000 0.491 88 G N 0.864 109.538 108.800 -0.211 0.000 2.141 88 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.242 88 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.242 88 G C 0.006 174.886 174.900 -0.033 0.000 0.982 88 G CA 0.345 45.394 45.100 -0.086 0.000 0.662 88 G HN 0.511 nan 8.290 nan 0.000 0.527 89 H N -2.914 116.127 119.070 -0.047 0.000 3.003 89 H HA 0.520 5.076 4.556 -0.001 0.000 0.327 89 H C -0.734 174.557 175.328 -0.062 0.000 1.353 89 H CA -1.180 54.840 56.048 -0.048 0.000 1.142 89 H CB 0.898 30.675 29.762 0.025 0.000 1.864 89 H HN 0.447 nan 8.280 nan 0.000 0.529 90 L N 3.244 124.511 121.223 0.073 0.000 2.559 90 L HA 0.036 4.375 4.340 -0.001 0.000 0.274 90 L C 0.211 177.173 176.870 0.154 0.000 1.205 90 L CA 0.245 55.101 54.840 0.028 0.000 0.907 90 L CB -0.243 41.826 42.059 0.017 0.000 1.153 90 L HN 0.793 nan 8.230 nan 0.000 0.490 91 N N 2.867 121.589 118.700 0.036 0.000 2.681 91 N HA 0.218 4.957 4.740 -0.001 0.000 0.311 91 N C -0.047 175.518 175.510 0.091 0.000 1.303 91 N CA -0.320 52.777 53.050 0.078 0.000 0.926 91 N CB 0.247 38.707 38.487 -0.045 0.000 1.136 91 N HN 0.564 nan 8.380 nan 0.000 0.592 92 E N -1.367 118.887 120.200 0.091 0.000 2.501 92 E HA 0.174 4.523 4.350 -0.001 0.000 0.200 92 E C 0.379 177.020 176.600 0.069 0.000 1.016 92 E CA -0.098 56.359 56.400 0.095 0.000 0.921 92 E CB 0.210 29.974 29.700 0.108 0.000 1.034 92 E HN 0.425 nan 8.360 nan 0.000 0.468 93 R N 0.488 121.009 120.500 0.035 0.000 2.313 93 R HA 0.037 4.376 4.340 -0.001 0.000 0.199 93 R C 0.740 177.044 176.300 0.007 0.000 0.958 93 R CA 0.219 56.329 56.100 0.018 0.000 1.047 93 R CB 0.256 30.552 30.300 -0.007 0.000 0.955 93 R HN -0.040 nan 8.270 nan 0.000 0.481 94 V N -4.222 115.694 119.914 0.004 0.000 3.007 94 V HA 0.560 4.679 4.120 -0.001 0.000 0.311 94 V C -0.535 175.521 176.094 -0.063 0.000 1.120 94 V CA -1.195 61.086 62.300 -0.031 0.000 0.980 94 V CB 2.113 33.900 31.823 -0.060 0.000 1.033 94 V HN -0.236 nan 8.190 nan 0.000 0.429 95 V N 2.551 122.363 119.914 -0.170 0.000 2.483 95 V HA 0.894 5.013 4.120 -0.001 0.000 0.295 95 V C 0.624 176.497 176.094 -0.368 0.000 1.035 95 V CA 0.265 62.314 62.300 -0.417 0.000 0.896 95 V CB 1.416 32.704 31.823 -0.892 0.000 0.986 95 V HN 1.674 nan 8.190 nan 0.000 0.447 96 A N 5.188 127.780 122.820 -0.379 0.000 2.316 96 A HA 0.519 4.838 4.320 -0.001 0.000 0.284 96 A C 0.750 178.076 177.584 -0.430 0.000 1.115 96 A CA -0.298 51.556 52.037 -0.306 0.000 0.812 96 A CB 0.900 19.796 19.000 -0.173 0.000 1.064 96 A HN 1.207 nan 8.150 nan 0.000 0.489 97 L N 3.373 124.341 121.223 -0.425 0.000 1.997 97 L HA -0.100 4.239 4.340 -0.001 0.000 0.216 97 L C -0.562 175.871 176.870 -0.728 0.000 1.074 97 L CA 3.093 57.587 54.840 -0.577 0.000 0.763 97 L CB -1.121 40.567 42.059 -0.618 0.000 0.890 97 L HN 0.587 nan 8.230 nan 0.000 0.434 98 P HA -0.173 nan 4.420 nan 0.000 0.220 98 P C 1.245 178.229 177.300 -0.527 0.000 1.148 98 P CA 1.524 64.134 63.100 -0.816 0.000 0.803 98 P CB -0.058 30.984 31.700 -1.096 0.000 0.782 99 E N 0.002 119.930 120.200 -0.453 0.000 2.077 99 E HA -0.108 4.241 4.350 -0.001 0.000 0.193 99 E C 2.232 178.648 176.600 -0.306 0.000 0.989 99 E CA 0.922 57.123 56.400 -0.330 0.000 0.800 99 E CB -0.517 28.914 29.700 -0.447 0.000 0.746 99 E HN 0.265 nan 8.360 nan 0.000 0.452 100 L N 0.521 121.471 121.223 -0.455 0.000 2.093 100 L HA -0.153 4.186 4.340 -0.001 0.000 0.208 100 L C 2.409 179.127 176.870 -0.253 0.000 1.085 100 L CA 0.768 55.392 54.840 -0.360 0.000 0.755 100 L CB -0.280 41.506 42.059 -0.456 0.000 0.904 100 L HN 0.161 nan 8.230 nan 0.000 0.435 101 L N -0.699 120.316 121.223 -0.346 0.000 2.131 101 L HA -0.117 4.222 4.340 -0.001 0.000 0.206 101 L C 2.793 179.632 176.870 -0.052 0.000 1.087 101 L CA 0.786 55.452 54.840 -0.291 0.000 0.767 101 L CB -0.402 41.331 42.059 -0.543 0.000 0.917 101 L HN 0.230 nan 8.230 nan 0.000 0.441 102 R N 1.045 121.498 120.500 -0.079 0.000 2.096 102 R HA -0.194 4.145 4.340 -0.001 0.000 0.235 102 R C 2.016 178.340 176.300 0.041 0.000 1.127 102 R CA 1.757 57.863 56.100 0.010 0.000 0.968 102 R CB -0.019 30.256 30.300 -0.043 0.000 0.861 102 R HN 0.546 nan 8.270 nan 0.000 0.440 103 E N -0.937 119.284 120.200 0.035 0.000 2.511 103 E HA -0.028 4.321 4.350 -0.001 0.000 0.196 103 E C 0.727 177.362 176.600 0.058 0.000 1.066 103 E CA 0.714 57.150 56.400 0.060 0.000 0.871 103 E CB 0.335 30.100 29.700 0.109 0.000 0.863 103 E HN 0.305 nan 8.360 nan 0.000 0.520 104 A N 0.729 123.590 122.820 0.070 0.000 2.500 104 A HA 0.558 4.877 4.320 -0.001 0.000 0.267 104 A C 1.492 179.164 177.584 0.146 0.000 1.290 104 A CA 0.165 52.260 52.037 0.097 0.000 0.928 104 A CB 0.089 19.145 19.000 0.095 0.000 1.066 104 A HN 0.435 nan 8.150 nan 0.000 0.516 105 G N -1.790 107.086 108.800 0.126 0.000 2.195 105 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.224 105 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.224 105 G C -0.017 174.934 174.900 0.086 0.000 0.990 105 G CA 0.000 45.151 45.100 0.084 0.000 0.639 105 G HN 0.354 nan 8.290 nan 0.000 0.514 106 Y N 1.691 122.013 120.300 0.036 0.000 2.346 106 Y HA 0.487 5.037 4.550 -0.001 0.000 0.330 106 Y C 1.256 177.216 175.900 0.100 0.000 1.178 106 Y CA 0.121 58.268 58.100 0.078 0.000 1.331 106 Y CB 0.655 39.176 38.460 0.102 0.000 1.253 106 Y HN 0.238 nan 8.280 nan 0.000 0.529 107 Q N 1.820 121.782 119.800 0.269 0.000 2.295 107 Q HA 0.255 4.595 4.340 -0.001 0.000 0.259 107 Q C -0.464 175.749 176.000 0.355 0.000 0.976 107 Q CA -0.467 55.487 55.803 0.251 0.000 0.923 107 Q CB 0.597 29.472 28.738 0.228 0.000 1.185 107 Q HN 0.648 nan 8.270 nan 0.000 0.410 108 T N 1.215 115.937 114.554 0.280 0.000 2.756 108 T HA 0.661 5.011 4.350 -0.001 0.000 0.290 108 T C -0.311 174.659 174.700 0.451 0.000 0.985 108 T CA -0.774 61.552 62.100 0.375 0.000 0.955 108 T CB 0.386 69.305 68.868 0.085 0.000 0.930 108 T HN 0.354 nan 8.240 nan 0.000 0.451 109 L N 3.778 125.325 121.223 0.541 0.000 2.386 109 L HA 0.737 5.077 4.340 -0.001 0.000 0.271 109 L C -0.388 176.703 176.870 0.369 0.000 0.993 109 L CA -1.031 54.037 54.840 0.379 0.000 0.819 109 L CB 2.262 44.481 42.059 0.267 0.000 1.294 109 L HN 0.680 nan 8.230 nan 0.000 0.414 110 M N 2.919 122.625 119.600 0.178 0.000 2.433 110 M HA 0.856 5.335 4.480 -0.001 0.000 0.290 110 M C -2.001 174.301 176.300 0.005 0.000 1.173 110 M CA -0.339 54.905 55.300 -0.093 0.000 0.905 110 M CB 2.647 34.814 32.600 -0.721 0.000 1.692 110 M HN 0.720 nan 8.290 nan 0.000 0.462 111 A N 3.195 125.930 122.820 -0.143 0.000 2.402 111 A HA 0.932 5.252 4.320 -0.001 0.000 0.291 111 A C -0.391 176.832 177.584 -0.603 0.000 1.051 111 A CA 0.227 52.189 52.037 -0.125 0.000 0.716 111 A CB 1.185 20.199 19.000 0.024 0.000 1.223 111 A HN 1.501 nan 8.150 nan 0.000 0.425 112 G N 0.977 109.229 108.800 -0.915 0.000 2.332 112 G HA2 0.311 4.270 3.960 -0.001 0.000 0.265 112 G HA3 0.311 4.270 3.960 -0.001 0.000 0.265 112 G C -0.892 173.442 174.900 -0.944 0.000 1.329 112 G CA -0.400 43.661 45.100 -1.732 0.000 0.949 112 G HN 0.856 nan 8.290 nan 0.000 0.476 113 K N 0.271 120.268 120.400 -0.673 0.000 2.298 113 K HA 0.318 4.638 4.320 -0.001 0.000 0.280 113 K C 0.695 177.244 176.600 -0.085 0.000 1.032 113 K CA -0.561 55.547 56.287 -0.297 0.000 0.958 113 K CB 0.675 33.038 32.500 -0.228 0.000 0.978 113 K HN 0.621 nan 8.250 nan 0.000 0.472 114 W N 4.403 125.574 121.300 -0.215 0.000 2.848 114 W HA -0.062 4.597 4.660 -0.001 0.000 0.288 114 W C 0.279 176.828 176.519 0.050 0.000 1.060 114 W CA 1.036 58.333 57.345 -0.081 0.000 1.712 114 W CB 0.035 29.435 29.460 -0.101 0.000 1.155 114 W HN 0.963 nan 8.180 nan 0.000 0.540 115 H N -0.144 118.854 119.070 -0.120 0.000 2.958 115 H HA -0.205 4.350 4.556 -0.001 0.000 0.274 115 H C 0.239 175.328 175.328 -0.397 0.000 1.184 115 H CA 0.771 56.686 56.048 -0.222 0.000 1.143 115 H CB -1.178 28.467 29.762 -0.195 0.000 1.297 115 H HN 0.174 nan 8.280 nan 0.000 0.356 116 L N -0.019 120.778 121.223 -0.709 0.000 3.122 116 L HA 0.439 4.779 4.340 -0.001 0.000 0.274 116 L C 0.903 177.697 176.870 -0.128 0.000 1.222 116 L CA 0.560 54.995 54.840 -0.675 0.000 1.028 116 L CB 1.518 42.868 42.059 -1.180 0.000 1.386 116 L HN 0.411 nan 8.230 nan 0.000 0.578 117 G N -0.414 108.456 108.800 0.116 0.000 2.322 117 G HA2 0.127 4.086 3.960 -0.001 0.000 0.289 117 G HA3 0.127 4.086 3.960 -0.001 0.000 0.289 117 G C -0.477 174.596 174.900 0.288 0.000 1.687 117 G CA -0.812 44.443 45.100 0.259 0.000 0.944 117 G HN -0.031 nan 8.290 nan 0.000 0.718 118 L N -0.164 121.167 121.223 0.179 0.000 2.609 118 L HA 0.227 4.566 4.340 -0.001 0.000 0.230 118 L C 1.517 178.494 176.870 0.179 0.000 1.087 118 L CA 0.161 55.097 54.840 0.159 0.000 0.874 118 L CB -0.019 42.109 42.059 0.114 0.000 1.114 118 L HN 0.317 nan 8.230 nan 0.000 0.488 119 K N -0.167 120.305 120.400 0.121 0.000 2.087 119 K HA 0.238 4.558 4.320 -0.001 0.000 0.255 119 K C -1.672 175.014 176.600 0.143 0.000 0.988 119 K CA -1.230 55.115 56.287 0.096 0.000 0.915 119 K CB 1.224 33.723 32.500 -0.001 0.000 1.043 119 K HN -0.241 nan 8.250 nan 0.000 0.457 120 P HA -0.259 nan 4.420 nan 0.000 0.216 120 P C 1.166 178.533 177.300 0.110 0.000 1.154 120 P CA 1.372 64.573 63.100 0.169 0.000 0.865 120 P CB 0.164 31.916 31.700 0.088 0.000 0.789 121 E N -0.207 120.033 120.200 0.066 0.000 2.511 121 E HA -0.145 4.204 4.350 -0.001 0.000 0.196 121 E C 0.869 177.512 176.600 0.072 0.000 1.066 121 E CA 0.835 57.272 56.400 0.061 0.000 0.871 121 E CB -0.514 29.204 29.700 0.030 0.000 0.863 121 E HN 0.440 nan 8.360 nan 0.000 0.520 122 Q N 0.858 120.711 119.800 0.088 0.000 2.189 122 Q HA 0.101 4.440 4.340 -0.001 0.000 0.223 122 Q C 0.327 176.494 176.000 0.278 0.000 0.828 122 Q CA 0.183 56.088 55.803 0.170 0.000 0.967 122 Q CB 1.200 29.992 28.738 0.091 0.000 1.139 122 Q HN 0.305 nan 8.270 nan 0.000 0.497 123 T N -2.345 112.254 114.554 0.076 0.000 2.816 123 T HA 0.174 4.524 4.350 -0.001 0.000 0.282 123 T C -1.958 172.452 174.700 -0.482 0.000 0.993 123 T CA -1.590 60.373 62.100 -0.229 0.000 0.994 123 T CB 0.824 69.568 68.868 -0.208 0.000 1.025 123 T HN -0.243 nan 8.240 nan 0.000 0.529 124 P HA -0.161 nan 4.420 nan 0.000 0.216 124 P C 1.335 178.575 177.300 -0.100 0.000 1.153 124 P CA 1.435 64.073 63.100 -0.769 0.000 0.858 124 P CB -0.180 30.971 31.700 -0.915 0.000 0.789 125 H N -0.440 118.529 119.070 -0.169 0.000 2.456 125 H HA -0.020 4.535 4.556 -0.001 0.000 0.296 125 H C 1.688 177.013 175.328 -0.006 0.000 1.079 125 H CA 1.675 57.697 56.048 -0.044 0.000 1.322 125 H CB -0.372 29.354 29.762 -0.060 0.000 1.388 125 H HN 0.015 nan 8.280 nan 0.000 0.538 126 A N -0.143 122.714 122.820 0.062 0.000 2.081 126 A HA 0.090 4.409 4.320 -0.001 0.000 0.214 126 A C 1.456 179.070 177.584 0.051 0.000 1.158 126 A CA 0.384 52.454 52.037 0.055 0.000 0.724 126 A CB 0.285 19.348 19.000 0.104 0.000 0.826 126 A HN 0.197 nan 8.150 nan 0.000 0.463 127 R N -0.902 119.640 120.500 0.071 0.000 2.767 127 R HA 0.335 4.675 4.340 -0.001 0.000 0.377 127 R C 0.766 177.077 176.300 0.019 0.000 1.151 127 R CA 0.381 56.550 56.100 0.116 0.000 1.046 127 R CB -0.231 30.247 30.300 0.297 0.000 1.404 127 R HN 0.706 nan 8.270 nan 0.000 0.580 128 G N 0.093 108.852 108.800 -0.069 0.000 2.192 128 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.193 128 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.193 128 G C -0.227 174.477 174.900 -0.326 0.000 0.999 128 G CA -0.685 44.283 45.100 -0.220 0.000 0.659 128 G HN 0.216 nan 8.290 nan 0.000 0.503 129 F N 2.150 122.066 119.950 -0.057 0.000 2.391 129 F HA 0.429 4.956 4.527 -0.001 0.000 0.359 129 F C 1.659 177.418 175.800 -0.068 0.000 1.122 129 F CA -0.152 57.836 58.000 -0.020 0.000 1.120 129 F CB 1.345 40.332 39.000 -0.022 0.000 1.142 129 F HN 0.322 nan 8.300 nan 0.000 0.483 130 E N 3.102 123.366 120.200 0.107 0.000 2.152 130 E HA -0.031 4.319 4.350 -0.001 0.000 0.192 130 E C -0.000 176.613 176.600 0.022 0.000 0.983 130 E CA 0.762 57.183 56.400 0.034 0.000 0.818 130 E CB 0.326 30.043 29.700 0.028 0.000 0.758 130 E HN 0.513 nan 8.360 nan 0.000 0.467 131 R N 0.743 121.224 120.500 -0.032 0.000 2.575 131 R HA 0.418 4.757 4.340 -0.001 0.000 0.293 131 R C -1.318 174.836 176.300 -0.243 0.000 0.983 131 R CA -0.379 55.530 56.100 -0.318 0.000 0.887 131 R CB 2.188 31.978 30.300 -0.851 0.000 1.184 131 R HN 0.198 nan 8.270 nan 0.000 0.445 132 S N 1.679 117.300 115.700 -0.131 0.000 2.543 132 S HA 0.518 4.987 4.470 -0.001 0.000 0.273 132 S C -1.375 173.364 174.600 0.232 0.000 1.152 132 S CA -0.890 57.335 58.200 0.042 0.000 0.910 132 S CB 1.440 64.552 63.200 -0.145 0.000 1.105 132 S HN 0.538 nan 8.310 nan 0.000 0.465 133 F N 2.355 122.402 119.950 0.162 0.000 2.496 133 F HA 0.759 5.286 4.527 -0.001 0.000 0.341 133 F C -0.446 175.415 175.800 0.101 0.000 1.134 133 F CA 0.031 58.133 58.000 0.171 0.000 0.968 133 F CB 1.660 40.797 39.000 0.229 0.000 1.205 133 F HN 0.824 nan 8.300 nan 0.000 0.436 134 S N 6.091 121.535 115.700 -0.427 0.000 2.548 134 S HA 0.580 5.049 4.470 -0.001 0.000 0.276 134 S C -1.744 172.567 174.600 -0.481 0.000 1.129 134 S CA -0.671 57.318 58.200 -0.351 0.000 0.931 134 S CB 1.289 64.273 63.200 -0.360 0.000 1.068 134 S HN 0.761 nan 8.310 nan 0.000 0.480 135 L N 6.550 127.471 121.223 -0.502 0.000 2.315 135 L HA 0.459 4.798 4.340 -0.001 0.000 0.283 135 L C 0.476 177.116 176.870 -0.384 0.000 1.089 135 L CA 0.229 54.590 54.840 -0.798 0.000 0.833 135 L CB 0.116 41.819 42.059 -0.593 0.000 1.170 135 L HN 0.875 nan 8.230 nan 0.000 0.442 136 L N 4.944 125.974 121.223 -0.321 0.000 2.095 136 L HA 0.155 4.495 4.340 -0.001 0.000 0.204 136 L C -1.328 175.520 176.870 -0.035 0.000 1.080 136 L CA -0.003 54.797 54.840 -0.068 0.000 0.759 136 L CB -1.210 40.822 42.059 -0.045 0.000 0.914 136 L HN 0.544 nan 8.230 nan 0.000 0.439 137 P HA 0.035 nan 4.420 nan 0.000 0.286 137 P C 0.748 177.794 177.300 -0.424 0.000 1.293 137 P CA 0.156 63.160 63.100 -0.161 0.000 0.770 137 P CB 0.364 31.973 31.700 -0.151 0.000 1.206 138 G N -1.463 106.904 108.800 -0.721 0.000 2.712 138 G HA2 0.351 4.310 3.960 -0.001 0.000 0.212 138 G HA3 0.351 4.310 3.960 -0.001 0.000 0.212 138 G C 0.243 174.636 174.900 -0.846 0.000 1.142 138 G CA 0.838 45.114 45.100 -1.373 0.000 0.789 138 G HN 0.768 nan 8.290 nan 0.000 0.535 139 A N -1.896 120.580 122.820 -0.574 0.000 2.540 139 A HA 0.921 5.241 4.320 -0.001 0.000 0.291 139 A C -1.034 176.403 177.584 -0.245 0.000 1.083 139 A CA 0.135 51.847 52.037 -0.541 0.000 0.650 139 A CB 0.687 19.257 19.000 -0.717 0.000 1.292 139 A HN 1.655 nan 8.150 nan 0.000 0.435 140 A N 0.177 122.887 122.820 -0.184 0.000 2.522 140 A HA 0.633 4.953 4.320 -0.001 0.000 0.291 140 A C -0.989 176.560 177.584 -0.058 0.000 1.039 140 A CA -0.354 51.673 52.037 -0.017 0.000 0.643 140 A CB 0.378 19.389 19.000 0.017 0.000 1.310 140 A HN 1.288 nan 8.150 nan 0.000 0.436 141 N N 0.408 119.193 118.700 0.141 0.000 2.447 141 N HA -0.025 4.714 4.740 -0.001 0.000 0.263 141 N C 0.409 176.003 175.510 0.141 0.000 1.226 141 N CA 0.189 53.363 53.050 0.207 0.000 0.906 141 N CB 0.255 38.979 38.487 0.396 0.000 1.060 141 N HN 0.666 nan 8.380 nan 0.000 0.468 142 H N 3.496 122.695 119.070 0.215 0.000 2.524 142 H HA -0.092 4.463 4.556 -0.001 0.000 0.282 142 H C 0.270 175.600 175.328 0.002 0.000 1.016 142 H CA 1.066 57.112 56.048 -0.003 0.000 1.270 142 H CB 0.366 29.986 29.762 -0.237 0.000 1.394 142 H HN 0.648 nan 8.280 nan 0.000 0.568 143 Y N -0.396 120.185 120.300 0.468 0.000 2.458 143 Y HA 0.241 4.790 4.550 -0.001 0.000 0.256 143 Y C 1.781 177.933 175.900 0.421 0.000 1.159 143 Y CA 0.296 58.679 58.100 0.472 0.000 1.261 143 Y CB 0.694 39.376 38.460 0.370 0.000 1.119 143 Y HN 0.222 nan 8.280 nan 0.000 0.524 144 G N 0.789 109.855 108.800 0.443 0.000 2.168 144 G HA2 -0.364 3.596 3.960 -0.001 0.000 0.257 144 G HA3 -0.364 3.596 3.960 -0.001 0.000 0.257 144 G C 0.021 175.105 174.900 0.306 0.000 0.997 144 G CA 0.096 45.344 45.100 0.246 0.000 0.708 144 G HN 0.314 nan 8.290 nan 0.000 0.520 145 F N 2.093 122.201 119.950 0.264 0.000 2.471 145 F HA 0.552 5.079 4.527 -0.001 0.000 0.365 145 F C 0.265 176.195 175.800 0.216 0.000 1.095 145 F CA -1.180 56.945 58.000 0.210 0.000 1.174 145 F CB 0.649 39.779 39.000 0.217 0.000 1.105 145 F HN 0.103 nan 8.300 nan 0.000 0.535 146 E N 8.173 128.043 120.200 -0.550 0.000 2.179 146 E HA 0.340 4.689 4.350 -0.001 0.000 0.275 146 E C -2.321 173.781 176.600 -0.829 0.000 0.945 146 E CA -1.955 54.170 56.400 -0.459 0.000 0.792 146 E CB 1.140 30.780 29.700 -0.100 0.000 1.125 146 E HN 0.423 nan 8.360 nan 0.000 0.397 147 P HA 0.287 nan 4.420 nan 0.000 0.276 147 P C -2.547 174.364 177.300 -0.650 0.000 1.261 147 P CA -1.470 61.295 63.100 -0.560 0.000 0.800 147 P CB -0.346 31.261 31.700 -0.156 0.000 1.066 148 P HA 0.105 nan 4.420 nan 0.000 0.271 148 P C -1.092 175.991 177.300 -0.361 0.000 1.218 148 P CA 0.348 63.270 63.100 -0.296 0.000 0.780 148 P CB 0.000 31.615 31.700 -0.142 0.000 0.901 149 Y N 2.023 122.324 120.300 0.001 0.000 2.587 149 Y HA 0.334 4.883 4.550 -0.001 0.000 0.328 149 Y C 0.469 176.371 175.900 0.003 0.000 0.980 149 Y CA -0.238 57.856 58.100 -0.011 0.000 1.272 149 Y CB 0.446 38.896 38.460 -0.016 0.000 1.094 149 Y HN 0.399 nan 8.280 nan 0.000 0.503 150 D N -0.728 119.746 120.400 0.123 0.000 2.744 150 D HA 0.423 5.062 4.640 -0.001 0.000 0.304 150 D C 1.077 177.417 176.300 0.067 0.000 1.179 150 D CA -0.245 53.810 54.000 0.092 0.000 1.024 150 D CB 0.288 41.142 40.800 0.089 0.000 1.453 150 D HN 0.212 nan 8.370 nan 0.000 0.529 151 E N -0.333 119.903 120.200 0.060 0.000 2.118 151 E HA -0.126 4.224 4.350 -0.001 0.000 0.195 151 E C 2.139 178.759 176.600 0.033 0.000 0.992 151 E CA 2.352 58.778 56.400 0.044 0.000 0.804 151 E CB -1.578 28.148 29.700 0.044 0.000 0.741 151 E HN 0.653 nan 8.360 nan 0.000 0.458 152 S N 0.280 116.014 115.700 0.057 0.000 2.481 152 S HA 0.085 4.554 4.470 -0.001 0.000 0.231 152 S C 1.637 176.213 174.600 -0.039 0.000 0.996 152 S CA 0.988 59.234 58.200 0.077 0.000 0.942 152 S CB -0.372 62.936 63.200 0.180 0.000 0.768 152 S HN 0.396 nan 8.310 nan 0.000 0.520 153 T N 4.530 118.997 114.554 -0.145 0.000 2.834 153 T HA 0.387 4.737 4.350 -0.001 0.000 0.298 153 T C -2.573 171.862 174.700 -0.441 0.000 0.966 153 T CA -0.876 60.900 62.100 -0.539 0.000 1.141 153 T CB 1.092 69.793 68.868 -0.280 0.000 0.905 153 T HN 0.095 nan 8.240 nan 0.000 0.535 154 P HA 0.115 nan 4.420 nan 0.000 0.265 154 P C 0.782 177.980 177.300 -0.170 0.000 1.187 154 P CA -0.143 62.779 63.100 -0.297 0.000 0.766 154 P CB 0.578 32.084 31.700 -0.322 0.000 0.820 155 R N 2.550 123.017 120.500 -0.055 0.000 2.120 155 R HA -0.111 4.228 4.340 -0.001 0.000 0.234 155 R C 2.079 178.385 176.300 0.010 0.000 1.123 155 R CA 1.085 57.188 56.100 0.006 0.000 0.975 155 R CB -0.632 29.704 30.300 0.060 0.000 0.866 155 R HN 0.523 nan 8.270 nan 0.000 0.446 156 I N 0.972 121.523 120.570 -0.031 0.000 2.361 156 I HA -0.281 3.888 4.170 -0.001 0.000 0.251 156 I C 1.700 177.772 176.117 -0.076 0.000 1.133 156 I CA 1.375 62.587 61.300 -0.146 0.000 1.413 156 I CB 0.133 37.837 38.000 -0.492 0.000 1.073 156 I HN 0.190 nan 8.210 nan 0.000 0.424 157 L N 0.159 121.324 121.223 -0.097 0.000 2.095 157 L HA -0.132 4.208 4.340 -0.001 0.000 0.204 157 L C 2.478 179.436 176.870 0.146 0.000 1.080 157 L CA 0.936 55.775 54.840 -0.001 0.000 0.759 157 L CB -0.618 41.361 42.059 -0.133 0.000 0.914 157 L HN 0.101 nan 8.230 nan 0.000 0.439 158 K N 0.387 120.842 120.400 0.091 0.000 2.103 158 K HA -0.140 4.180 4.320 -0.001 0.000 0.207 158 K C 1.880 178.490 176.600 0.017 0.000 1.048 158 K CA 1.415 57.761 56.287 0.098 0.000 0.930 158 K CB -0.372 32.152 32.500 0.039 0.000 0.716 158 K HN 0.384 nan 8.250 nan 0.000 0.444 159 G N 0.688 109.509 108.800 0.034 0.000 2.920 159 G HA2 -0.089 3.870 3.960 -0.001 0.000 0.208 159 G HA3 -0.089 3.870 3.960 -0.001 0.000 0.208 159 G C 0.585 175.498 174.900 0.023 0.000 1.159 159 G CA 0.607 45.724 45.100 0.028 0.000 0.784 159 G HN 0.346 nan 8.290 nan 0.000 0.535 160 T N -0.483 114.102 114.554 0.053 0.000 3.624 160 T HA 0.452 4.801 4.350 -0.001 0.000 0.244 160 T C -2.804 171.949 174.700 0.088 0.000 1.063 160 T CA -1.631 60.500 62.100 0.052 0.000 1.252 160 T CB 1.973 70.917 68.868 0.127 0.000 1.021 160 T HN 0.018 nan 8.240 nan 0.000 0.590 161 P HA 0.426 nan 4.420 nan 0.000 0.276 161 P C -0.038 177.286 177.300 0.040 0.000 1.244 161 P CA -0.449 62.692 63.100 0.068 0.000 0.801 161 P CB 0.779 32.412 31.700 -0.111 0.000 1.006 162 A N 2.549 125.436 122.820 0.112 0.000 3.048 162 A HA 0.175 4.494 4.320 -0.001 0.000 0.264 162 A C 0.142 177.808 177.584 0.136 0.000 1.796 162 A CA -0.109 52.022 52.037 0.157 0.000 1.445 162 A CB -1.698 17.429 19.000 0.213 0.000 1.074 162 A HN 0.460 nan 8.150 nan 0.000 0.621 163 L N 2.074 123.260 121.223 -0.063 0.000 2.282 163 L HA 0.512 4.852 4.340 -0.001 0.000 0.287 163 L C -1.150 175.542 176.870 -0.298 0.000 1.075 163 L CA -0.180 54.606 54.840 -0.090 0.000 0.839 163 L CB -0.449 41.562 42.059 -0.079 0.000 1.219 163 L HN 0.471 nan 8.230 nan 0.000 0.434 164 Y N 3.099 123.292 120.300 -0.179 0.000 2.446 164 Y HA 0.697 5.246 4.550 -0.001 0.000 0.338 164 Y C -0.220 175.451 175.900 -0.382 0.000 1.055 164 Y CA -0.465 57.445 58.100 -0.316 0.000 1.101 164 Y CB 2.202 40.452 38.460 -0.349 0.000 1.221 164 Y HN 0.313 nan 8.280 nan 0.000 0.460 165 V N 2.868 122.555 119.914 -0.380 0.000 2.841 165 V HA 0.448 4.567 4.120 -0.001 0.000 0.310 165 V C -1.451 174.466 176.094 -0.295 0.000 1.090 165 V CA -0.627 61.426 62.300 -0.411 0.000 0.930 165 V CB 2.087 33.471 31.823 -0.732 0.000 1.014 165 V HN 0.866 nan 8.190 nan 0.000 0.425 166 E N 5.036 125.169 120.200 -0.112 0.000 2.141 166 E HA 0.411 4.761 4.350 -0.001 0.000 0.259 166 E C -0.065 176.526 176.600 -0.014 0.000 0.883 166 E CA -0.277 56.162 56.400 0.064 0.000 0.744 166 E CB 0.794 30.659 29.700 0.275 0.000 1.150 166 E HN 0.859 nan 8.360 nan 0.000 0.420 167 D N 3.287 123.663 120.400 -0.041 0.000 4.372 167 D HA -0.306 4.333 4.640 -0.001 0.000 0.169 167 D C 0.465 176.593 176.300 -0.287 0.000 0.680 167 D CA 1.921 55.861 54.000 -0.100 0.000 1.152 167 D CB -0.276 40.489 40.800 -0.059 0.000 0.585 167 D HN 0.688 nan 8.370 nan 0.000 0.493 168 E N 0.451 120.452 120.200 -0.332 0.000 2.498 168 E HA 0.097 4.446 4.350 -0.001 0.000 0.203 168 E C 0.630 177.205 176.600 -0.041 0.000 1.013 168 E CA -0.161 56.077 56.400 -0.270 0.000 0.927 168 E CB 0.815 30.304 29.700 -0.353 0.000 1.012 168 E HN 0.052 nan 8.360 nan 0.000 0.482 169 R N 1.408 121.883 120.500 -0.043 0.000 2.230 169 R HA 0.111 4.451 4.340 -0.001 0.000 0.337 169 R C -1.158 175.174 176.300 0.052 0.000 1.063 169 R CA -0.365 55.761 56.100 0.043 0.000 0.935 169 R CB -0.013 30.307 30.300 0.034 0.000 1.121 169 R HN -0.034 nan 8.270 nan 0.000 0.486 170 Y N 3.866 124.142 120.300 -0.041 0.000 2.650 170 Y HA -0.023 4.527 4.550 -0.001 0.000 0.331 170 Y C 0.505 176.401 175.900 -0.008 0.000 1.165 170 Y CA 0.192 58.273 58.100 -0.032 0.000 1.473 170 Y CB 0.311 38.749 38.460 -0.036 0.000 1.224 170 Y HN 0.379 nan 8.280 nan 0.000 0.533 171 L N 2.788 124.069 121.223 0.096 0.000 2.417 171 L HA 0.252 4.591 4.340 -0.001 0.000 0.268 171 L C 1.241 178.156 176.870 0.076 0.000 1.158 171 L CA 1.062 55.950 54.840 0.079 0.000 0.819 171 L CB 0.542 42.638 42.059 0.060 0.000 1.112 171 L HN 0.861 nan 8.230 nan 0.000 0.458 172 D N 0.618 121.052 120.400 0.057 0.000 2.262 172 D HA 0.430 5.070 4.640 -0.001 0.000 0.212 172 D C 0.748 177.066 176.300 0.031 0.000 0.964 172 D CA 1.244 55.271 54.000 0.045 0.000 0.875 172 D CB 0.008 40.831 40.800 0.040 0.000 0.996 172 D HN 0.828 nan 8.370 nan 0.000 0.497 173 T N -0.860 113.705 114.554 0.019 0.000 2.896 173 T HA 0.647 4.996 4.350 -0.001 0.000 0.297 173 T C -0.663 174.011 174.700 -0.044 0.000 1.108 173 T CA -0.533 61.566 62.100 -0.001 0.000 1.004 173 T CB 1.313 70.190 68.868 0.015 0.000 1.159 173 T HN 0.227 nan 8.240 nan 0.000 0.499 174 L N 2.969 124.131 121.223 -0.102 0.000 2.322 174 L HA 0.526 4.865 4.340 -0.001 0.000 0.279 174 L C -1.598 175.248 176.870 -0.040 0.000 1.036 174 L CA -1.874 52.849 54.840 -0.195 0.000 0.807 174 L CB 1.342 43.067 42.059 -0.556 0.000 1.226 174 L HN 0.582 nan 8.230 nan 0.000 0.433 175 P HA 0.104 nan 4.420 nan 0.000 0.268 175 P C -0.253 177.120 177.300 0.122 0.000 1.208 175 P CA -0.205 62.941 63.100 0.077 0.000 0.777 175 P CB 0.294 32.046 31.700 0.086 0.000 0.875 176 E N 0.210 120.464 120.200 0.091 0.000 2.413 176 E HA 0.360 4.710 4.350 -0.001 0.000 0.263 176 E C 1.338 178.010 176.600 0.120 0.000 1.015 176 E CA 0.126 56.586 56.400 0.099 0.000 0.916 176 E CB -0.832 28.906 29.700 0.062 0.000 0.947 176 E HN 0.929 nan 8.360 nan 0.000 0.440 177 G N 0.869 109.757 108.800 0.147 0.000 2.162 177 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.260 177 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.260 177 G C 0.267 175.280 174.900 0.188 0.000 0.976 177 G CA 0.203 45.392 45.100 0.149 0.000 0.655 177 G HN 1.318 nan 8.290 nan 0.000 0.533 178 F N 1.045 121.047 119.950 0.087 0.000 2.612 178 F HA 0.446 4.972 4.527 -0.001 0.000 0.389 178 F C 0.231 176.099 175.800 0.112 0.000 1.055 178 F CA 0.076 58.099 58.000 0.039 0.000 1.232 178 F CB 0.150 39.142 39.000 -0.012 0.000 1.044 178 F HN 0.248 nan 8.300 nan 0.000 0.560 179 Y N 5.916 125.750 120.300 -0.776 0.000 2.361 179 Y HA 0.241 4.791 4.550 -0.001 0.000 0.328 179 Y C 0.785 176.088 175.900 -0.994 0.000 1.044 179 Y CA -0.594 57.033 58.100 -0.787 0.000 1.085 179 Y CB 1.373 39.517 38.460 -0.527 0.000 1.194 179 Y HN 0.655 nan 8.280 nan 0.000 0.438 180 S N 1.793 116.675 115.700 -1.362 0.000 2.368 180 S HA -0.239 4.230 4.470 -0.001 0.000 0.226 180 S C 1.720 175.678 174.600 -1.069 0.000 1.044 180 S CA 2.195 59.701 58.200 -1.158 0.000 1.062 180 S CB -0.768 62.202 63.200 -0.384 0.000 0.931 180 S HN 0.662 nan 8.310 nan 0.000 0.440 181 S N 2.266 117.565 115.700 -0.669 0.000 2.382 181 S HA -0.084 4.385 4.470 -0.001 0.000 0.228 181 S C 1.592 176.226 174.600 0.057 0.000 1.027 181 S CA 1.341 59.548 58.200 0.012 0.000 0.991 181 S CB -0.681 62.559 63.200 0.068 0.000 0.823 181 S HN 0.578 nan 8.310 nan 0.000 0.469 182 D N 1.833 122.205 120.400 -0.047 0.000 2.144 182 D HA 0.058 4.698 4.640 -0.001 0.000 0.200 182 D C 2.120 178.318 176.300 -0.169 0.000 0.978 182 D CA 1.162 55.187 54.000 0.041 0.000 0.833 182 D CB -0.493 40.368 40.800 0.101 0.000 0.961 182 D HN 0.391 nan 8.370 nan 0.000 0.470 183 A N 0.234 122.772 122.820 -0.471 0.000 1.930 183 A HA -0.126 4.194 4.320 -0.001 0.000 0.217 183 A C 1.842 179.237 177.584 -0.314 0.000 1.175 183 A CA 0.867 52.596 52.037 -0.515 0.000 0.627 183 A CB -0.721 17.791 19.000 -0.812 0.000 0.815 183 A HN 0.097 nan 8.150 nan 0.000 0.443 184 F N 0.313 120.186 119.950 -0.129 0.000 2.163 184 F HA 0.060 4.586 4.527 -0.001 0.000 0.297 184 F C 2.648 178.326 175.800 -0.204 0.000 1.094 184 F CA 0.368 58.283 58.000 -0.142 0.000 1.290 184 F CB -1.407 37.468 39.000 -0.209 0.000 1.017 184 F HN 0.245 nan 8.300 nan 0.000 0.483 185 G N -0.004 108.829 108.800 0.054 0.000 2.446 185 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.217 185 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.217 185 G C 1.411 176.227 174.900 -0.140 0.000 1.168 185 G CA 1.174 46.260 45.100 -0.024 0.000 0.771 185 G HN 0.223 nan 8.290 nan 0.000 0.551 186 D N 0.536 120.835 120.400 -0.167 0.000 2.104 186 D HA -0.065 4.574 4.640 -0.001 0.000 0.194 186 D C 2.499 178.598 176.300 -0.333 0.000 0.994 186 D CA 0.827 54.688 54.000 -0.232 0.000 0.830 186 D CB -0.058 40.603 40.800 -0.232 0.000 0.959 186 D HN 0.154 nan 8.370 nan 0.000 0.452 187 K N 0.158 120.314 120.400 -0.407 0.000 2.062 187 K HA -0.045 4.275 4.320 -0.001 0.000 0.205 187 K C 2.113 178.254 176.600 -0.765 0.000 1.051 187 K CA 0.132 56.021 56.287 -0.663 0.000 0.941 187 K CB -0.494 31.610 32.500 -0.660 0.000 0.719 187 K HN 0.133 nan 8.250 nan 0.000 0.440 188 L N 1.351 122.328 121.223 -0.410 0.000 2.093 188 L HA -0.099 4.240 4.340 -0.001 0.000 0.208 188 L C 2.159 178.876 176.870 -0.254 0.000 1.085 188 L CA 1.124 55.807 54.840 -0.262 0.000 0.755 188 L CB -0.535 41.442 42.059 -0.136 0.000 0.904 188 L HN 0.025 nan 8.230 nan 0.000 0.435 189 L N -0.537 120.516 121.223 -0.282 0.000 2.046 189 L HA -0.239 4.100 4.340 -0.001 0.000 0.208 189 L C 2.585 179.244 176.870 -0.352 0.000 1.077 189 L CA 2.044 56.689 54.840 -0.325 0.000 0.747 189 L CB -0.782 41.088 42.059 -0.315 0.000 0.896 189 L HN 0.531 nan 8.230 nan 0.000 0.432 190 Q N -1.565 118.034 119.800 -0.335 0.000 2.030 190 Q HA -0.271 4.068 4.340 -0.001 0.000 0.204 190 Q C 2.205 178.148 176.000 -0.095 0.000 0.986 190 Q CA 2.282 57.934 55.803 -0.251 0.000 0.843 190 Q CB -0.328 28.238 28.738 -0.287 0.000 0.904 190 Q HN 0.572 nan 8.270 nan 0.000 0.420 191 Y N 0.532 120.763 120.300 -0.114 0.000 2.224 191 Y HA -0.163 4.387 4.550 -0.001 0.000 0.289 191 Y C 2.185 178.023 175.900 -0.104 0.000 1.146 191 Y CA 0.709 58.766 58.100 -0.072 0.000 1.182 191 Y CB -0.664 37.776 38.460 -0.034 0.000 0.983 191 Y HN 0.140 nan 8.280 nan 0.000 0.524 192 L N -0.237 120.966 121.223 -0.033 0.000 2.093 192 L HA -0.212 4.127 4.340 -0.001 0.000 0.208 192 L C 2.271 179.115 176.870 -0.043 0.000 1.085 192 L CA 1.463 56.236 54.840 -0.112 0.000 0.755 192 L CB -0.457 41.501 42.059 -0.169 0.000 0.904 192 L HN 0.101 nan 8.230 nan 0.000 0.435 193 K N -0.073 120.224 120.400 -0.172 0.000 2.217 193 K HA -0.117 4.203 4.320 -0.001 0.000 0.202 193 K C 1.624 178.224 176.600 0.000 0.000 1.051 193 K CA 0.937 57.150 56.287 -0.123 0.000 0.952 193 K CB 0.052 32.398 32.500 -0.258 0.000 0.736 193 K HN 0.365 nan 8.250 nan 0.000 0.453 194 E N 1.121 121.329 120.200 0.012 0.000 2.489 194 E HA -0.042 4.307 4.350 -0.001 0.000 0.193 194 E C 0.214 176.848 176.600 0.057 0.000 1.057 194 E CA -0.182 56.245 56.400 0.044 0.000 0.866 194 E CB 0.190 29.930 29.700 0.066 0.000 0.916 194 E HN 0.279 nan 8.360 nan 0.000 0.500 195 R N 1.620 122.158 120.500 0.063 0.000 2.827 195 R HA 0.036 4.375 4.340 -0.001 0.000 0.269 195 R C 0.039 176.384 176.300 0.075 0.000 1.048 195 R CA -0.332 55.813 56.100 0.075 0.000 1.173 195 R CB 0.301 30.652 30.300 0.086 0.000 1.070 195 R HN -0.255 nan 8.270 nan 0.000 0.498 196 D N 1.275 121.720 120.400 0.075 0.000 2.342 196 D HA -0.017 4.622 4.640 -0.001 0.000 0.260 196 D C 0.415 176.761 176.300 0.075 0.000 1.278 196 D CA 0.239 54.278 54.000 0.063 0.000 0.910 196 D CB 0.912 41.742 40.800 0.051 0.000 1.079 196 D HN 0.523 nan 8.370 nan 0.000 0.496 197 Q N 1.702 121.543 119.800 0.069 0.000 2.488 197 Q HA -0.081 4.258 4.340 -0.001 0.000 0.211 197 Q C 1.417 177.446 176.000 0.047 0.000 0.967 197 Q CA 0.703 56.551 55.803 0.074 0.000 0.926 197 Q CB 0.105 28.880 28.738 0.062 0.000 0.992 197 Q HN 0.512 nan 8.270 nan 0.000 0.506 198 S N -0.505 115.212 115.700 0.029 0.000 2.575 198 S HA 0.159 4.629 4.470 -0.001 0.000 0.215 198 S C 0.506 175.096 174.600 -0.017 0.000 0.966 198 S CA -0.382 57.822 58.200 0.006 0.000 0.911 198 S CB 0.368 63.570 63.200 0.004 0.000 0.780 198 S HN 0.117 nan 8.310 nan 0.000 0.514 199 R N 1.406 121.898 120.500 -0.013 0.000 2.795 199 R HA 0.550 4.890 4.340 -0.001 0.000 0.275 199 R C -3.056 173.187 176.300 -0.095 0.000 0.981 199 R CA -2.335 53.724 56.100 -0.069 0.000 0.917 199 R CB 1.521 31.793 30.300 -0.046 0.000 1.202 199 R HN 0.168 nan 8.270 nan 0.000 0.469 200 P HA 0.152 nan 4.420 nan 0.000 0.274 200 P C -1.057 176.132 177.300 -0.185 0.000 1.246 200 P CA -0.144 62.706 63.100 -0.418 0.000 0.795 200 P CB 0.425 31.604 31.700 -0.868 0.000 1.006 201 F N -1.277 118.684 119.950 0.018 0.000 2.561 201 F HA 0.708 5.235 4.527 -0.001 0.000 0.321 201 F C -1.301 174.798 175.800 0.499 0.000 1.065 201 F CA -1.753 56.394 58.000 0.245 0.000 0.934 201 F CB 1.175 40.283 39.000 0.180 0.000 1.215 201 F HN 0.126 nan 8.300 nan 0.000 0.471 202 F N 2.547 122.871 119.950 0.624 0.000 2.382 202 F HA 0.806 5.333 4.527 -0.001 0.000 0.361 202 F C -0.884 175.262 175.800 0.577 0.000 1.109 202 F CA -1.008 57.322 58.000 0.550 0.000 1.031 202 F CB 0.676 39.877 39.000 0.336 0.000 1.234 202 F HN 0.876 nan 8.300 nan 0.000 0.445 203 A N 5.930 128.819 122.820 0.116 0.000 2.303 203 A HA 0.562 4.882 4.320 -0.001 0.000 0.320 203 A C -2.196 175.329 177.584 -0.097 0.000 1.192 203 A CA -0.495 51.610 52.037 0.114 0.000 0.821 203 A CB 0.430 19.575 19.000 0.241 0.000 1.188 203 A HN 0.730 nan 8.150 nan 0.000 0.492 204 Y N 2.990 123.192 120.300 -0.163 0.000 2.331 204 Y HA 0.577 5.127 4.550 -0.001 0.000 0.334 204 Y C -1.194 174.623 175.900 -0.138 0.000 0.960 204 Y CA -1.600 56.415 58.100 -0.142 0.000 1.130 204 Y CB 1.812 40.290 38.460 0.029 0.000 1.164 204 Y HN 0.505 nan 8.280 nan 0.000 0.458 205 L N 10.318 131.330 121.223 -0.351 0.000 2.556 205 L HA 0.564 4.904 4.340 -0.001 0.000 0.243 205 L C -2.801 173.683 176.870 -0.644 0.000 1.331 205 L CA -2.181 52.355 54.840 -0.507 0.000 0.927 205 L CB 0.922 42.797 42.059 -0.306 0.000 1.219 205 L HN 0.368 nan 8.230 nan 0.000 0.490 206 P HA 0.186 nan 4.420 nan 0.000 0.274 206 P C -0.423 176.561 177.300 -0.526 0.000 1.504 206 P CA -0.140 62.589 63.100 -0.619 0.000 1.011 206 P CB 0.023 31.280 31.700 -0.737 0.000 1.366 207 F N 1.434 121.277 119.950 -0.177 0.000 2.490 207 F HA 0.017 4.544 4.527 -0.001 0.000 0.336 207 F C 2.200 177.995 175.800 -0.008 0.000 1.178 207 F CA 0.742 58.728 58.000 -0.022 0.000 1.301 207 F CB 0.366 39.411 39.000 0.075 0.000 1.175 207 F HN 0.289 nan 8.300 nan 0.000 0.593 208 S N 0.189 116.111 115.700 0.369 0.000 2.503 208 S HA 0.398 4.868 4.470 -0.001 0.000 0.215 208 S C 0.702 175.453 174.600 0.252 0.000 1.003 208 S CA 0.014 58.343 58.200 0.215 0.000 0.910 208 S CB -0.311 63.015 63.200 0.209 0.000 0.790 208 S HN 0.650 nan 8.310 nan 0.000 0.514 209 A N 3.206 126.155 122.820 0.214 0.000 2.386 209 A HA 0.531 4.850 4.320 -0.001 0.000 0.248 209 A C -2.058 175.516 177.584 -0.016 0.000 1.082 209 A CA -1.564 50.469 52.037 -0.007 0.000 0.789 209 A CB 0.049 18.944 19.000 -0.175 0.000 1.025 209 A HN 0.313 nan 8.150 nan 0.000 0.490 210 P HA 0.067 nan 4.420 nan 0.000 0.218 210 P C -0.264 177.008 177.300 -0.046 0.000 1.826 210 P CA -0.017 62.945 63.100 -0.230 0.000 0.946 210 P CB -0.363 30.952 31.700 -0.642 0.000 1.728 211 H N 1.850 120.881 119.070 -0.065 0.000 2.690 211 H HA 0.018 4.573 4.556 -0.001 0.000 0.365 211 H C 0.430 175.747 175.328 -0.018 0.000 1.142 211 H CA -0.086 55.871 56.048 -0.150 0.000 1.417 211 H CB 0.576 30.165 29.762 -0.288 0.000 1.446 211 H HN 0.254 nan 8.280 nan 0.000 0.599 212 W N 3.469 124.828 121.300 0.099 0.000 2.123 212 W HA 0.212 4.871 4.660 -0.001 0.000 0.351 212 W C -2.578 174.073 176.519 0.220 0.000 1.292 212 W CA -1.994 55.442 57.345 0.152 0.000 1.263 212 W CB -0.792 28.736 29.460 0.113 0.000 1.165 212 W HN 0.420 nan 8.180 nan 0.000 0.590 213 P HA 0.156 nan 4.420 nan 0.000 0.275 213 P C -0.266 177.170 177.300 0.226 0.000 1.227 213 P CA -0.057 63.030 63.100 -0.021 0.000 0.781 213 P CB 1.104 32.338 31.700 -0.777 0.000 0.906 214 L N 3.820 125.149 121.223 0.176 0.000 2.385 214 L HA 0.219 4.559 4.340 -0.001 0.000 0.281 214 L C 0.855 177.797 176.870 0.119 0.000 1.106 214 L CA 0.424 55.335 54.840 0.118 0.000 0.856 214 L CB -0.491 41.616 42.059 0.079 0.000 1.186 214 L HN 0.353 nan 8.230 nan 0.000 0.453 215 Q N 3.074 122.941 119.800 0.113 0.000 2.309 215 Q HA 0.837 5.177 4.340 -0.001 0.000 0.273 215 Q C -1.260 174.855 176.000 0.192 0.000 1.040 215 Q CA -0.667 55.280 55.803 0.239 0.000 0.834 215 Q CB 3.019 32.045 28.738 0.479 0.000 1.345 215 Q HN 0.745 nan 8.270 nan 0.000 0.414 216 A N 2.134 125.040 122.820 0.143 0.000 2.608 216 A HA 0.765 5.084 4.320 -0.001 0.000 0.292 216 A C -2.912 174.582 177.584 -0.149 0.000 1.066 216 A CA -1.385 50.581 52.037 -0.118 0.000 0.676 216 A CB 1.099 20.037 19.000 -0.102 0.000 1.277 216 A HN 0.406 nan 8.150 nan 0.000 0.413 217 P HA 0.088 nan 4.420 nan 0.000 0.263 217 P C 0.751 177.969 177.300 -0.137 0.000 1.195 217 P CA -0.156 62.807 63.100 -0.229 0.000 0.762 217 P CB 0.470 31.979 31.700 -0.317 0.000 0.799 218 R N 4.936 125.375 120.500 -0.101 0.000 2.117 218 R HA -0.195 4.145 4.340 -0.001 0.000 0.243 218 R C 1.327 177.587 176.300 -0.067 0.000 1.143 218 R CA 1.625 57.684 56.100 -0.070 0.000 0.968 218 R CB -1.288 28.971 30.300 -0.068 0.000 0.863 218 R HN 0.530 nan 8.270 nan 0.000 0.444 219 E N 1.389 121.532 120.200 -0.095 0.000 2.204 219 E HA -0.135 4.215 4.350 -0.001 0.000 0.195 219 E C 1.931 178.479 176.600 -0.087 0.000 0.990 219 E CA 0.929 57.272 56.400 -0.095 0.000 0.821 219 E CB -0.180 29.448 29.700 -0.121 0.000 0.750 219 E HN 0.313 nan 8.360 nan 0.000 0.477 220 I N 1.376 121.891 120.570 -0.092 0.000 2.480 220 I HA -0.107 4.063 4.170 -0.001 0.000 0.251 220 I C 2.658 178.823 176.117 0.080 0.000 1.124 220 I CA 0.394 61.670 61.300 -0.040 0.000 1.444 220 I CB -1.026 36.926 38.000 -0.080 0.000 1.098 220 I HN -0.048 nan 8.210 nan 0.000 0.428 221 V N 1.204 121.146 119.914 0.046 0.000 2.392 221 V HA -0.252 3.867 4.120 -0.001 0.000 0.249 221 V C 2.560 178.732 176.094 0.131 0.000 1.059 221 V CA 1.836 64.203 62.300 0.111 0.000 1.051 221 V CB -0.780 31.068 31.823 0.042 0.000 0.658 221 V HN 0.324 nan 8.190 nan 0.000 0.455 222 E N 0.726 120.953 120.200 0.044 0.000 2.209 222 E HA -0.212 4.138 4.350 -0.001 0.000 0.196 222 E C 2.051 178.639 176.600 -0.020 0.000 0.993 222 E CA 1.241 57.648 56.400 0.012 0.000 0.819 222 E CB -0.271 29.415 29.700 -0.023 0.000 0.745 222 E HN 0.583 nan 8.360 nan 0.000 0.477 223 K N -1.034 119.332 120.400 -0.056 0.000 2.280 223 K HA -0.136 4.183 4.320 -0.001 0.000 0.202 223 K C 0.797 177.155 176.600 -0.403 0.000 1.047 223 K CA 1.029 57.167 56.287 -0.247 0.000 0.942 223 K CB -0.048 32.239 32.500 -0.355 0.000 0.739 223 K HN 0.300 nan 8.250 nan 0.000 0.457 224 Y N 0.327 120.620 120.300 -0.013 0.000 2.507 224 Y HA 0.150 4.699 4.550 -0.001 0.000 0.254 224 Y C 0.358 176.255 175.900 -0.005 0.000 1.171 224 Y CA -0.689 57.408 58.100 -0.006 0.000 1.238 224 Y CB 0.293 38.810 38.460 0.095 0.000 1.148 224 Y HN -0.129 nan 8.280 nan 0.000 0.525 225 R N 0.910 121.458 120.500 0.080 0.000 2.486 225 R HA 0.144 4.484 4.340 -0.001 0.000 0.303 225 R C 1.243 177.566 176.300 0.039 0.000 0.958 225 R CA 1.432 57.572 56.100 0.066 0.000 1.077 225 R CB -0.320 29.999 30.300 0.031 0.000 0.921 225 R HN 0.633 nan 8.270 nan 0.000 0.406 226 G N 3.797 112.640 108.800 0.072 0.000 2.199 226 G HA2 -0.363 3.597 3.960 -0.001 0.000 0.254 226 G HA3 -0.363 3.597 3.960 -0.001 0.000 0.254 226 G C 0.863 175.768 174.900 0.008 0.000 0.982 226 G CA 0.478 45.612 45.100 0.057 0.000 0.632 226 G HN 0.640 nan 8.290 nan 0.000 0.529 227 R N 0.073 120.521 120.500 -0.086 0.000 2.148 227 R HA 0.097 4.436 4.340 -0.001 0.000 0.227 227 R C 1.464 177.492 176.300 -0.453 0.000 1.103 227 R CA 1.717 57.618 56.100 -0.332 0.000 0.983 227 R CB -0.411 29.573 30.300 -0.527 0.000 0.874 227 R HN 0.555 nan 8.270 nan 0.000 0.451 228 Y N -0.541 119.829 120.300 0.118 0.000 2.636 228 Y HA 0.266 4.816 4.550 -0.001 0.000 0.260 228 Y C 0.680 176.734 175.900 0.257 0.000 1.177 228 Y CA -0.633 57.556 58.100 0.148 0.000 1.209 228 Y CB 0.465 38.902 38.460 -0.038 0.000 1.166 228 Y HN 0.019 nan 8.280 nan 0.000 0.531 229 D N 0.660 121.248 120.400 0.314 0.000 2.263 229 D HA -0.118 4.521 4.640 -0.001 0.000 0.208 229 D C 2.064 178.635 176.300 0.452 0.000 0.971 229 D CA 1.187 55.426 54.000 0.398 0.000 0.867 229 D CB 0.081 41.033 40.800 0.253 0.000 0.929 229 D HN 0.365 nan 8.370 nan 0.000 0.492 230 A N -0.135 122.830 122.820 0.240 0.000 2.208 230 A HA 0.457 4.776 4.320 -0.001 0.000 0.209 230 A C 1.261 178.697 177.584 -0.246 0.000 1.161 230 A CA 1.057 53.175 52.037 0.136 0.000 0.782 230 A CB -0.241 18.798 19.000 0.064 0.000 0.816 230 A HN 0.312 nan 8.150 nan 0.000 0.477 231 G N -1.138 107.295 108.800 -0.612 0.000 2.712 231 G HA2 -0.102 3.857 3.960 -0.001 0.000 0.683 231 G HA3 -0.102 3.857 3.960 -0.001 0.000 0.683 231 G C -1.698 172.443 174.900 -1.265 0.000 1.320 231 G CA -0.207 43.738 45.100 -1.925 0.000 0.847 231 G HN 0.086 nan 8.290 nan 0.000 0.553 232 P HA 0.042 nan 4.420 nan 0.000 0.225 232 P C 1.148 178.078 177.300 -0.616 0.000 1.156 232 P CA 1.587 63.828 63.100 -1.433 0.000 0.787 232 P CB 0.337 30.984 31.700 -1.756 0.000 0.802 233 E N 0.970 120.871 120.200 -0.500 0.000 2.086 233 E HA 0.013 4.363 4.350 -0.001 0.000 0.190 233 E C 2.100 178.598 176.600 -0.171 0.000 0.975 233 E CA 1.080 57.328 56.400 -0.253 0.000 0.813 233 E CB -1.130 28.462 29.700 -0.180 0.000 0.768 233 E HN 0.011 nan 8.360 nan 0.000 0.457 234 A N 0.908 123.618 122.820 -0.184 0.000 1.917 234 A HA -0.179 4.140 4.320 -0.001 0.000 0.219 234 A C 2.201 179.760 177.584 -0.043 0.000 1.182 234 A CA 1.696 53.679 52.037 -0.091 0.000 0.633 234 A CB -0.896 18.058 19.000 -0.075 0.000 0.819 234 A HN 0.392 nan 8.150 nan 0.000 0.448 235 L N -0.294 120.899 121.223 -0.049 0.000 2.017 235 L HA -0.128 4.211 4.340 -0.001 0.000 0.208 235 L C 2.495 179.389 176.870 0.041 0.000 1.073 235 L CA 2.410 57.291 54.840 0.070 0.000 0.745 235 L CB -0.610 41.583 42.059 0.224 0.000 0.894 235 L HN 0.483 nan 8.230 nan 0.000 0.432 236 R N -1.202 119.285 120.500 -0.022 0.000 2.103 236 R HA -0.206 4.134 4.340 -0.001 0.000 0.242 236 R C 2.220 178.529 176.300 0.016 0.000 1.142 236 R CA 1.665 57.764 56.100 -0.002 0.000 0.960 236 R CB -0.124 30.150 30.300 -0.043 0.000 0.858 236 R HN 0.476 nan 8.270 nan 0.000 0.439 237 Q N 0.426 120.226 119.800 -0.001 0.000 2.079 237 Q HA -0.165 4.174 4.340 -0.001 0.000 0.200 237 Q C 1.890 177.907 176.000 0.028 0.000 0.974 237 Q CA 1.570 57.379 55.803 0.010 0.000 0.840 237 Q CB -0.090 28.647 28.738 -0.002 0.000 0.898 237 Q HN 0.554 nan 8.270 nan 0.000 0.430 238 E N 0.182 120.403 120.200 0.036 0.000 2.051 238 E HA -0.162 4.188 4.350 -0.001 0.000 0.192 238 E C 2.110 178.747 176.600 0.062 0.000 0.991 238 E CA 0.619 57.048 56.400 0.049 0.000 0.799 238 E CB 0.021 29.758 29.700 0.061 0.000 0.748 238 E HN 0.165 nan 8.360 nan 0.000 0.449 239 R N 0.634 121.180 120.500 0.077 0.000 2.073 239 R HA -0.098 4.241 4.340 -0.001 0.000 0.234 239 R C 2.519 178.873 176.300 0.090 0.000 1.134 239 R CA 0.895 57.051 56.100 0.093 0.000 0.952 239 R CB -0.906 29.461 30.300 0.111 0.000 0.850 239 R HN 0.255 nan 8.270 nan 0.000 0.433 240 L N 0.349 121.619 121.223 0.079 0.000 2.017 240 L HA -0.160 4.180 4.340 -0.001 0.000 0.208 240 L C 2.675 179.584 176.870 0.065 0.000 1.073 240 L CA 1.449 56.336 54.840 0.077 0.000 0.745 240 L CB -0.651 41.442 42.059 0.057 0.000 0.894 240 L HN 0.176 nan 8.230 nan 0.000 0.432 241 A N -0.052 122.798 122.820 0.051 0.000 1.902 241 A HA -0.260 4.059 4.320 -0.001 0.000 0.217 241 A C 2.337 179.948 177.584 0.044 0.000 1.181 241 A CA 1.935 53.997 52.037 0.042 0.000 0.623 241 A CB -0.474 18.546 19.000 0.033 0.000 0.818 241 A HN 0.282 nan 8.150 nan 0.000 0.443 242 R N -0.128 120.402 120.500 0.050 0.000 2.075 242 R HA 0.055 4.394 4.340 -0.001 0.000 0.232 242 R C 1.921 178.250 176.300 0.048 0.000 1.126 242 R CA 1.353 57.480 56.100 0.045 0.000 0.963 242 R CB -0.801 29.527 30.300 0.048 0.000 0.858 242 R HN 0.510 nan 8.270 nan 0.000 0.435 243 L N 0.326 121.591 121.223 0.070 0.000 2.013 243 L HA -0.252 4.088 4.340 -0.001 0.000 0.212 243 L C 2.264 179.182 176.870 0.080 0.000 1.073 243 L CA 1.940 56.834 54.840 0.091 0.000 0.753 243 L CB -0.371 41.779 42.059 0.153 0.000 0.890 243 L HN 0.205 nan 8.230 nan 0.000 0.432 244 K N -0.435 120.007 120.400 0.070 0.000 2.057 244 K HA -0.209 4.111 4.320 -0.001 0.000 0.206 244 K C 2.044 178.670 176.600 0.043 0.000 1.050 244 K CA 1.284 57.605 56.287 0.056 0.000 0.935 244 K CB -0.169 32.359 32.500 0.047 0.000 0.715 244 K HN 0.284 nan 8.250 nan 0.000 0.439 245 E N 1.266 121.487 120.200 0.035 0.000 2.118 245 E HA -0.187 4.162 4.350 -0.001 0.000 0.195 245 E C 1.677 178.289 176.600 0.020 0.000 0.992 245 E CA 0.959 57.374 56.400 0.025 0.000 0.804 245 E CB 0.063 29.776 29.700 0.021 0.000 0.741 245 E HN 0.266 nan 8.360 nan 0.000 0.458 246 L N -0.697 120.537 121.223 0.018 0.000 2.554 246 L HA 0.136 4.476 4.340 -0.001 0.000 0.226 246 L C 1.459 178.337 176.870 0.014 0.000 1.137 246 L CA 0.501 55.341 54.840 0.000 0.000 0.863 246 L CB 0.151 42.195 42.059 -0.024 0.000 0.985 246 L HN 0.449 nan 8.230 nan 0.000 0.451 247 G N -0.030 108.796 108.800 0.043 0.000 2.132 247 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.234 247 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.234 247 G C 0.707 175.682 174.900 0.125 0.000 0.989 247 G CA 0.277 45.423 45.100 0.076 0.000 0.676 247 G HN 0.314 nan 8.290 nan 0.000 0.522 248 L N -0.423 120.870 121.223 0.116 0.000 2.270 248 L HA 0.345 4.685 4.340 -0.001 0.000 0.210 248 L C 1.418 178.429 176.870 0.235 0.000 1.104 248 L CA 1.235 56.188 54.840 0.189 0.000 0.804 248 L CB 0.162 42.308 42.059 0.145 0.000 0.937 248 L HN 0.527 nan 8.230 nan 0.000 0.450 249 V N -4.799 115.209 119.914 0.157 0.000 2.925 249 V HA 0.757 4.877 4.120 -0.001 0.000 0.311 249 V C -0.250 175.876 176.094 0.052 0.000 1.104 249 V CA -0.835 61.529 62.300 0.106 0.000 0.954 249 V CB 1.159 33.058 31.823 0.126 0.000 1.022 249 V HN 0.014 nan 8.190 nan 0.000 0.427 250 E N 1.841 122.044 120.200 0.005 0.000 2.373 250 E HA 0.684 5.033 4.350 -0.001 0.000 0.263 250 E C 1.306 177.916 176.600 0.016 0.000 1.073 250 E CA -0.117 56.284 56.400 0.001 0.000 0.894 250 E CB 1.375 31.056 29.700 -0.031 0.000 1.008 250 E HN 2.024 nan 8.360 nan 0.000 0.420 251 A N 1.087 123.918 122.820 0.018 0.000 2.024 251 A HA -0.102 4.217 4.320 -0.001 0.000 0.220 251 A C 1.489 179.083 177.584 0.016 0.000 1.164 251 A CA 1.990 54.039 52.037 0.021 0.000 0.643 251 A CB -0.260 18.752 19.000 0.019 0.000 0.806 251 A HN 0.773 nan 8.150 nan 0.000 0.451 252 D N -0.854 119.552 120.400 0.010 0.000 2.328 252 D HA 0.147 4.786 4.640 -0.001 0.000 0.221 252 D C 0.081 176.388 176.300 0.011 0.000 1.072 252 D CA -0.172 53.833 54.000 0.009 0.000 0.850 252 D CB -0.656 40.147 40.800 0.004 0.000 0.922 252 D HN 0.107 nan 8.370 nan 0.000 0.516 253 V N 1.078 121.000 119.914 0.012 0.000 2.555 253 V HA 0.036 4.156 4.120 -0.001 0.000 0.286 253 V C 0.635 176.740 176.094 0.018 0.000 1.044 253 V CA -0.468 61.839 62.300 0.013 0.000 1.026 253 V CB 1.017 32.846 31.823 0.011 0.000 0.981 253 V HN 0.201 nan 8.190 nan 0.000 0.480 254 E N 3.980 124.192 120.200 0.021 0.000 2.105 254 E HA 0.499 4.849 4.350 -0.001 0.000 0.285 254 E C -0.019 176.579 176.600 -0.004 0.000 1.055 254 E CA -0.582 55.827 56.400 0.016 0.000 0.843 254 E CB 0.950 30.677 29.700 0.046 0.000 1.067 254 E HN 0.840 nan 8.360 nan 0.000 0.398 255 A N 5.057 127.873 122.820 -0.007 0.000 2.388 255 A HA 0.084 4.403 4.320 -0.001 0.000 0.257 255 A C -0.093 177.474 177.584 -0.028 0.000 1.095 255 A CA -0.424 51.612 52.037 -0.002 0.000 0.791 255 A CB 0.389 19.395 19.000 0.011 0.000 1.029 255 A HN 0.828 nan 8.150 nan 0.000 0.489 256 H N 2.119 121.138 119.070 -0.085 0.000 2.928 256 H HA 0.137 4.693 4.556 -0.001 0.000 0.338 256 H C -2.144 173.131 175.328 -0.089 0.000 1.047 256 H CA -0.887 55.093 56.048 -0.114 0.000 1.435 256 H CB 0.453 30.127 29.762 -0.147 0.000 1.428 256 H HN 0.358 nan 8.280 nan 0.000 0.590 257 P HA -0.073 nan 4.420 nan 0.000 0.268 257 P C -0.633 176.695 177.300 0.047 0.000 1.208 257 P CA -0.172 62.836 63.100 -0.153 0.000 0.777 257 P CB 0.568 32.121 31.700 -0.244 0.000 0.875 258 V N 4.144 124.065 119.914 0.011 0.000 2.488 258 V HA 0.137 4.256 4.120 -0.001 0.000 0.277 258 V C 0.368 176.475 176.094 0.021 0.000 1.046 258 V CA 0.106 62.420 62.300 0.023 0.000 0.986 258 V CB 0.005 31.815 31.823 -0.022 0.000 0.989 258 V HN 0.312 nan 8.190 nan 0.000 0.475 259 L N 5.274 126.519 121.223 0.037 0.000 2.319 259 L HA 0.878 5.218 4.340 -0.001 0.000 0.281 259 L C -0.059 176.839 176.870 0.046 0.000 1.005 259 L CA -0.307 54.549 54.840 0.027 0.000 0.828 259 L CB 1.581 43.643 42.059 0.005 0.000 1.227 259 L HN 0.755 nan 8.230 nan 0.000 0.415 260 A N 2.174 125.015 122.820 0.035 0.000 2.566 260 A HA 0.711 5.031 4.320 -0.001 0.000 0.297 260 A C 0.137 177.742 177.584 0.034 0.000 1.059 260 A CA -0.096 51.969 52.037 0.047 0.000 0.691 260 A CB 1.536 20.552 19.000 0.027 0.000 1.282 260 A HN 0.574 nan 8.150 nan 0.000 0.401 261 L N 0.750 121.999 121.223 0.043 0.000 2.558 261 L HA 0.366 4.705 4.340 -0.001 0.000 0.225 261 L C 1.410 178.296 176.870 0.027 0.000 1.128 261 L CA 1.817 56.674 54.840 0.029 0.000 0.868 261 L CB -1.930 40.145 42.059 0.027 0.000 1.006 261 L HN 1.177 nan 8.230 nan 0.000 0.454 262 T N -2.220 112.354 114.554 0.035 0.000 2.754 262 T HA 0.425 4.774 4.350 -0.001 0.000 0.286 262 T C 0.420 175.132 174.700 0.020 0.000 0.997 262 T CA -0.646 61.474 62.100 0.033 0.000 0.982 262 T CB 0.565 69.460 68.868 0.045 0.000 1.027 262 T HN 0.549 nan 8.240 nan 0.000 0.529 263 R N 1.736 122.247 120.500 0.018 0.000 2.438 263 R HA 0.158 4.498 4.340 -0.001 0.000 0.287 263 R C 0.993 177.307 176.300 0.022 0.000 1.077 263 R CA -0.636 55.471 56.100 0.011 0.000 1.034 263 R CB 0.478 30.777 30.300 -0.003 0.000 0.993 263 R HN 0.760 nan 8.270 nan 0.000 0.459 264 E N 3.932 124.145 120.200 0.022 0.000 2.436 264 E HA -0.226 4.123 4.350 -0.001 0.000 0.262 264 E C 0.532 177.196 176.600 0.106 0.000 1.063 264 E CA -0.074 56.354 56.400 0.047 0.000 0.944 264 E CB 0.479 30.196 29.700 0.029 0.000 0.950 264 E HN 0.727 nan 8.360 nan 0.000 0.444 265 W N 2.566 123.799 121.300 -0.113 0.000 2.304 265 W HA -0.264 4.396 4.660 -0.001 0.000 0.315 265 W C 1.672 178.161 176.519 -0.051 0.000 1.233 265 W CA 2.183 59.470 57.345 -0.096 0.000 1.261 265 W CB 0.160 29.547 29.460 -0.122 0.000 1.150 265 W HN 0.755 nan 8.180 nan 0.000 0.494 266 E N 0.174 120.445 120.200 0.120 0.000 2.472 266 E HA -0.105 4.244 4.350 -0.001 0.000 0.200 266 E C 1.654 178.229 176.600 -0.041 0.000 1.046 266 E CA 1.224 57.631 56.400 0.013 0.000 0.871 266 E CB -0.595 29.137 29.700 0.053 0.000 0.806 266 E HN 0.237 nan 8.360 nan 0.000 0.533 267 A N 1.056 123.852 122.820 -0.040 0.000 2.238 267 A HA 0.257 4.577 4.320 -0.001 0.000 0.210 267 A C 1.238 178.772 177.584 -0.083 0.000 1.179 267 A CA -0.299 51.709 52.037 -0.048 0.000 0.827 267 A CB -0.031 18.955 19.000 -0.023 0.000 0.856 267 A HN 0.141 nan 8.150 nan 0.000 0.488 268 L N 0.994 122.130 121.223 -0.145 0.000 2.395 268 L HA 0.205 4.545 4.340 -0.001 0.000 0.269 268 L C 0.271 177.024 176.870 -0.196 0.000 1.133 268 L CA -0.464 54.262 54.840 -0.190 0.000 0.812 268 L CB 0.761 42.632 42.059 -0.315 0.000 1.125 268 L HN 0.341 nan 8.230 nan 0.000 0.452 269 E N 0.884 120.994 120.200 -0.150 0.000 2.392 269 E HA -0.042 4.308 4.350 -0.001 0.000 0.259 269 E C -0.006 176.497 176.600 -0.162 0.000 1.108 269 E CA -0.341 55.982 56.400 -0.129 0.000 0.916 269 E CB 0.815 30.464 29.700 -0.084 0.000 0.989 269 E HN 0.528 nan 8.360 nan 0.000 0.432 270 D N 1.547 121.871 120.400 -0.128 0.000 2.116 270 D HA -0.235 4.404 4.640 -0.001 0.000 0.193 270 D C 2.155 178.393 176.300 -0.102 0.000 0.998 270 D CA 2.209 56.138 54.000 -0.120 0.000 0.836 270 D CB 0.085 40.842 40.800 -0.070 0.000 0.951 270 D HN 0.656 nan 8.370 nan 0.000 0.449 271 E N 0.653 120.808 120.200 -0.074 0.000 2.110 271 E HA -0.235 4.115 4.350 -0.001 0.000 0.193 271 E C 1.871 178.438 176.600 -0.055 0.000 0.988 271 E CA 1.561 57.932 56.400 -0.049 0.000 0.804 271 E CB -0.770 28.908 29.700 -0.035 0.000 0.745 271 E HN 0.488 nan 8.360 nan 0.000 0.458 272 E N -0.417 119.730 120.200 -0.087 0.000 2.046 272 E HA -0.091 4.258 4.350 -0.001 0.000 0.190 272 E C 2.552 179.077 176.600 -0.125 0.000 0.982 272 E CA 0.751 57.098 56.400 -0.088 0.000 0.800 272 E CB -0.099 29.538 29.700 -0.105 0.000 0.756 272 E HN 0.368 nan 8.360 nan 0.000 0.449 273 R N 0.511 120.835 120.500 -0.292 0.000 2.091 273 R HA -0.148 4.192 4.340 -0.001 0.000 0.238 273 R C 2.389 178.659 176.300 -0.050 0.000 1.136 273 R CA 1.233 57.035 56.100 -0.495 0.000 0.959 273 R CB -0.372 29.447 30.300 -0.802 0.000 0.856 273 R HN 0.119 nan 8.270 nan 0.000 0.437 274 A N 1.438 124.250 122.820 -0.014 0.000 1.902 274 A HA -0.192 4.127 4.320 -0.001 0.000 0.217 274 A C 1.942 179.594 177.584 0.113 0.000 1.181 274 A CA 1.438 53.523 52.037 0.081 0.000 0.623 274 A CB -0.249 18.775 19.000 0.040 0.000 0.818 274 A HN 0.225 nan 8.150 nan 0.000 0.443 275 K N -0.581 119.863 120.400 0.074 0.000 2.097 275 K HA -0.080 4.240 4.320 -0.001 0.000 0.205 275 K C 2.432 179.110 176.600 0.131 0.000 1.050 275 K CA 1.287 57.619 56.287 0.075 0.000 0.938 275 K CB -0.182 32.337 32.500 0.031 0.000 0.718 275 K HN 0.444 nan 8.250 nan 0.000 0.442 276 S N 0.622 116.460 115.700 0.230 0.000 2.368 276 S HA -0.096 4.373 4.470 -0.001 0.000 0.224 276 S C 2.082 176.959 174.600 0.460 0.000 1.029 276 S CA 1.101 59.551 58.200 0.417 0.000 0.988 276 S CB -0.166 63.414 63.200 0.634 0.000 0.838 276 S HN 0.353 nan 8.310 nan 0.000 0.462 277 A N 1.779 124.942 122.820 0.571 0.000 1.908 277 A HA -0.100 4.220 4.320 -0.001 0.000 0.218 277 A C 2.126 179.793 177.584 0.138 0.000 1.181 277 A CA 2.017 54.304 52.037 0.416 0.000 0.627 277 A CB -0.770 18.556 19.000 0.544 0.000 0.818 277 A HN 0.529 nan 8.150 nan 0.000 0.445 278 R N 0.201 120.783 120.500 0.136 0.000 2.096 278 R HA 0.007 4.346 4.340 -0.001 0.000 0.235 278 R C 2.104 178.406 176.300 0.005 0.000 1.127 278 R CA 1.823 57.968 56.100 0.074 0.000 0.968 278 R CB -0.903 29.441 30.300 0.072 0.000 0.861 278 R HN 0.390 nan 8.270 nan 0.000 0.440 279 A N 0.155 122.967 122.820 -0.013 0.000 1.908 279 A HA -0.180 4.139 4.320 -0.001 0.000 0.218 279 A C 2.131 179.608 177.584 -0.178 0.000 1.181 279 A CA 1.846 53.851 52.037 -0.054 0.000 0.627 279 A CB -0.551 18.444 19.000 -0.008 0.000 0.818 279 A HN 0.445 nan 8.150 nan 0.000 0.445 280 M N 0.136 119.460 119.600 -0.461 0.000 2.229 280 M HA -0.066 4.413 4.480 -0.001 0.000 0.264 280 M C 1.664 177.635 176.300 -0.549 0.000 1.063 280 M CA 1.752 56.559 55.300 -0.823 0.000 1.114 280 M CB -0.564 30.864 32.600 -1.953 0.000 1.387 280 M HN 0.539 nan 8.290 nan 0.000 0.420 281 E N -1.036 119.045 120.200 -0.197 0.000 2.051 281 E HA -0.178 4.171 4.350 -0.001 0.000 0.192 281 E C 1.927 178.490 176.600 -0.063 0.000 0.991 281 E CA 1.694 58.126 56.400 0.054 0.000 0.799 281 E CB -0.356 29.454 29.700 0.184 0.000 0.748 281 E HN 0.364 nan 8.360 nan 0.000 0.449 282 V N 0.842 120.726 119.914 -0.050 0.000 2.295 282 V HA -0.288 3.831 4.120 -0.001 0.000 0.246 282 V C 2.076 178.112 176.094 -0.096 0.000 1.049 282 V CA 1.963 64.233 62.300 -0.049 0.000 1.024 282 V CB -0.649 31.169 31.823 -0.009 0.000 0.648 282 V HN 0.307 nan 8.190 nan 0.000 0.447 283 Y N 1.528 121.684 120.300 -0.240 0.000 2.114 283 Y HA -0.326 4.224 4.550 -0.001 0.000 0.282 283 Y C 2.427 178.152 175.900 -0.292 0.000 1.165 283 Y CA 1.973 59.910 58.100 -0.272 0.000 1.148 283 Y CB -0.615 37.655 38.460 -0.317 0.000 0.972 283 Y HN 0.154 nan 8.280 nan 0.000 0.504 284 A N 0.506 123.181 122.820 -0.241 0.000 1.883 284 A HA -0.212 4.108 4.320 -0.001 0.000 0.217 284 A C 2.428 179.672 177.584 -0.565 0.000 1.186 284 A CA 2.280 54.017 52.037 -0.500 0.000 0.624 284 A CB -1.620 16.864 19.000 -0.860 0.000 0.822 284 A HN 0.665 nan 8.150 nan 0.000 0.444 285 A N -0.756 121.801 122.820 -0.438 0.000 1.933 285 A HA -0.110 4.209 4.320 -0.001 0.000 0.218 285 A C 2.250 179.727 177.584 -0.179 0.000 1.175 285 A CA 1.771 53.698 52.037 -0.183 0.000 0.628 285 A CB -0.545 18.412 19.000 -0.071 0.000 0.814 285 A HN 0.552 nan 8.150 nan 0.000 0.444 286 M N -0.752 118.704 119.600 -0.240 0.000 2.117 286 M HA -0.145 4.335 4.480 -0.001 0.000 0.262 286 M C 2.088 178.222 176.300 -0.277 0.000 1.065 286 M CA 1.454 56.612 55.300 -0.237 0.000 1.114 286 M CB -0.469 31.926 32.600 -0.342 0.000 1.361 286 M HN 0.269 nan 8.290 nan 0.000 0.408 287 V N 0.166 119.861 119.914 -0.366 0.000 2.358 287 V HA -0.244 3.876 4.120 -0.001 0.000 0.246 287 V C 2.203 178.189 176.094 -0.179 0.000 1.047 287 V CA 2.028 64.145 62.300 -0.305 0.000 1.035 287 V CB -0.766 30.865 31.823 -0.321 0.000 0.658 287 V HN 0.518 nan 8.190 nan 0.000 0.452 288 E N 0.348 120.478 120.200 -0.117 0.000 2.085 288 E HA -0.305 4.044 4.350 -0.001 0.000 0.194 288 E C 2.362 178.963 176.600 0.002 0.000 0.994 288 E CA 1.531 57.925 56.400 -0.011 0.000 0.801 288 E CB -0.045 29.710 29.700 0.091 0.000 0.743 288 E HN 0.349 nan 8.360 nan 0.000 0.453 289 R N 0.526 121.004 120.500 -0.036 0.000 2.115 289 R HA -0.038 4.301 4.340 -0.001 0.000 0.226 289 R C 2.290 178.626 176.300 0.059 0.000 1.100 289 R CA 1.492 57.609 56.100 0.027 0.000 0.980 289 R CB -0.476 29.816 30.300 -0.013 0.000 0.875 289 R HN 0.336 nan 8.270 nan 0.000 0.445 290 M N -0.085 119.426 119.600 -0.147 0.000 2.080 290 M HA -0.208 4.271 4.480 -0.001 0.000 0.260 290 M C 1.455 177.572 176.300 -0.306 0.000 1.068 290 M CA 2.534 57.559 55.300 -0.459 0.000 1.109 290 M CB -0.350 31.850 32.600 -0.666 0.000 1.342 290 M HN 0.194 nan 8.290 nan 0.000 0.405 291 D N -0.832 119.472 120.400 -0.159 0.000 2.149 291 D HA -0.259 4.380 4.640 -0.001 0.000 0.198 291 D C 1.635 177.963 176.300 0.046 0.000 0.990 291 D CA 1.803 55.756 54.000 -0.079 0.000 0.839 291 D CB -0.334 40.428 40.800 -0.062 0.000 0.948 291 D HN 0.629 nan 8.370 nan 0.000 0.460 292 W N 1.179 122.432 121.300 -0.078 0.000 2.358 292 W HA -0.097 4.562 4.660 -0.001 0.000 0.303 292 W C 1.934 178.452 176.519 -0.002 0.000 1.208 292 W CA 1.335 58.660 57.345 -0.034 0.000 1.274 292 W CB -0.353 29.088 29.460 -0.032 0.000 1.138 292 W HN -0.049 nan 8.180 nan 0.000 0.515 293 N N 0.467 119.239 118.700 0.120 0.000 2.188 293 N HA -0.166 4.574 4.740 -0.001 0.000 0.184 293 N C 1.789 177.316 175.510 0.030 0.000 1.018 293 N CA 1.967 55.016 53.050 -0.000 0.000 0.858 293 N CB -0.561 38.097 38.487 0.285 0.000 0.989 293 N HN 0.271 nan 8.380 nan 0.000 0.426 294 I N 0.990 121.626 120.570 0.109 0.000 2.208 294 I HA -0.203 3.967 4.170 -0.001 0.000 0.245 294 I C 2.494 178.607 176.117 -0.005 0.000 1.097 294 I CA 1.273 62.639 61.300 0.111 0.000 1.363 294 I CB -0.614 37.439 38.000 0.090 0.000 1.051 294 I HN 0.141 nan 8.210 nan 0.000 0.413 295 G N 0.601 109.353 108.800 -0.080 0.000 2.442 295 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.219 295 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.219 295 G C 1.794 176.595 174.900 -0.166 0.000 1.141 295 G CA 0.498 45.529 45.100 -0.116 0.000 0.763 295 G HN 0.319 nan 8.290 nan 0.000 0.554 296 R N -0.373 119.955 120.500 -0.286 0.000 2.081 296 R HA 0.005 4.344 4.340 -0.001 0.000 0.235 296 R C 2.637 178.871 176.300 -0.110 0.000 1.131 296 R CA 1.111 57.043 56.100 -0.281 0.000 0.960 296 R CB -0.433 29.605 30.300 -0.437 0.000 0.856 296 R HN 0.310 nan 8.270 nan 0.000 0.436 297 V N 0.170 120.046 119.914 -0.063 0.000 2.283 297 V HA -0.175 3.945 4.120 -0.001 0.000 0.243 297 V C 2.257 178.395 176.094 0.074 0.000 1.039 297 V CA 1.456 63.764 62.300 0.014 0.000 1.016 297 V CB -0.222 31.612 31.823 0.018 0.000 0.650 297 V HN 0.107 nan 8.190 nan 0.000 0.449 298 V N 0.356 120.298 119.914 0.048 0.000 2.407 298 V HA -0.237 3.883 4.120 -0.001 0.000 0.248 298 V C 2.228 178.343 176.094 0.035 0.000 1.055 298 V CA 2.103 64.436 62.300 0.055 0.000 1.049 298 V CB -0.701 31.145 31.823 0.039 0.000 0.662 298 V HN 0.551 nan 8.190 nan 0.000 0.455 299 D N -1.136 119.272 120.400 0.014 0.000 2.144 299 D HA -0.169 4.471 4.640 -0.001 0.000 0.200 299 D C 1.883 178.198 176.300 0.025 0.000 0.978 299 D CA 1.230 55.232 54.000 0.003 0.000 0.833 299 D CB -0.292 40.495 40.800 -0.022 0.000 0.961 299 D HN 0.570 nan 8.370 nan 0.000 0.470 300 Y N 1.513 121.782 120.300 -0.052 0.000 2.114 300 Y HA -0.162 4.387 4.550 -0.001 0.000 0.284 300 Y C 2.082 177.973 175.900 -0.015 0.000 1.143 300 Y CA 1.393 59.466 58.100 -0.044 0.000 1.135 300 Y CB -0.496 37.923 38.460 -0.068 0.000 0.980 300 Y HN -0.091 nan 8.280 nan 0.000 0.499 301 L N -0.050 121.108 121.223 -0.109 0.000 2.083 301 L HA -0.221 4.118 4.340 -0.001 0.000 0.209 301 L C 2.759 179.554 176.870 -0.126 0.000 1.083 301 L CA 1.707 56.463 54.840 -0.139 0.000 0.752 301 L CB -0.595 41.514 42.059 0.084 0.000 0.899 301 L HN 0.181 nan 8.230 nan 0.000 0.433 302 R N 0.452 120.909 120.500 -0.072 0.000 2.070 302 R HA -0.160 4.180 4.340 -0.001 0.000 0.233 302 R C 2.492 178.738 176.300 -0.089 0.000 1.137 302 R CA 1.519 57.587 56.100 -0.054 0.000 0.945 302 R CB -0.089 30.194 30.300 -0.028 0.000 0.845 302 R HN 0.239 nan 8.270 nan 0.000 0.430 303 R N -0.103 120.325 120.500 -0.120 0.000 2.120 303 R HA -0.082 4.258 4.340 -0.001 0.000 0.234 303 R C 2.179 178.378 176.300 -0.169 0.000 1.123 303 R CA 1.027 57.056 56.100 -0.119 0.000 0.975 303 R CB -0.061 30.184 30.300 -0.091 0.000 0.866 303 R HN 0.354 nan 8.270 nan 0.000 0.446 304 Q N -0.401 119.223 119.800 -0.294 0.000 2.437 304 Q HA -0.026 4.313 4.340 -0.001 0.000 0.210 304 Q C 1.039 176.964 176.000 -0.125 0.000 0.972 304 Q CA 1.059 56.708 55.803 -0.257 0.000 0.903 304 Q CB 0.321 28.816 28.738 -0.404 0.000 0.967 304 Q HN 0.590 nan 8.270 nan 0.000 0.486 305 G N 1.307 110.052 108.800 -0.092 0.000 2.198 305 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.260 305 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.260 305 G C 0.570 175.457 174.900 -0.023 0.000 1.025 305 G CA 0.572 45.644 45.100 -0.047 0.000 0.769 305 G HN 0.288 nan 8.290 nan 0.000 0.507 306 E N -1.156 119.035 120.200 -0.014 0.000 2.473 306 E HA 0.190 4.539 4.350 -0.001 0.000 0.204 306 E C 2.381 179.019 176.600 0.063 0.000 0.994 306 E CA 0.095 56.519 56.400 0.040 0.000 0.945 306 E CB 0.108 29.876 29.700 0.114 0.000 0.990 306 E HN 0.487 nan 8.360 nan 0.000 0.493 307 L N 1.726 122.978 121.223 0.049 0.000 2.093 307 L HA -0.080 4.259 4.340 -0.001 0.000 0.208 307 L C 1.320 178.243 176.870 0.087 0.000 1.085 307 L CA 1.719 56.606 54.840 0.078 0.000 0.755 307 L CB -0.157 41.932 42.059 0.051 0.000 0.904 307 L HN -0.124 nan 8.230 nan 0.000 0.435 308 D N -0.762 119.671 120.400 0.055 0.000 2.310 308 D HA -0.132 4.508 4.640 -0.001 0.000 0.212 308 D C 1.043 177.403 176.300 0.099 0.000 0.965 308 D CA 0.734 54.763 54.000 0.048 0.000 0.879 308 D CB -0.143 40.654 40.800 -0.005 0.000 0.921 308 D HN 0.332 nan 8.370 nan 0.000 0.510 309 N N -0.148 118.620 118.700 0.113 0.000 2.279 309 N HA 0.015 4.755 4.740 -0.001 0.000 0.226 309 N C -1.151 174.443 175.510 0.139 0.000 1.126 309 N CA 0.052 53.204 53.050 0.170 0.000 0.846 309 N CB 0.379 38.897 38.487 0.051 0.000 1.050 309 N HN -0.212 nan 8.380 nan 0.000 0.502 310 T N 0.528 115.184 114.554 0.170 0.000 2.786 310 T HA 0.238 4.587 4.350 -0.001 0.000 0.283 310 T C -0.868 173.909 174.700 0.130 0.000 0.992 310 T CA -0.517 61.612 62.100 0.048 0.000 0.954 310 T CB 0.531 69.458 68.868 0.098 0.000 0.934 310 T HN 0.077 nan 8.240 nan 0.000 0.440 311 F N 5.255 125.042 119.950 -0.272 0.000 2.466 311 F HA 0.451 4.977 4.527 -0.001 0.000 0.363 311 F C -0.321 175.531 175.800 0.087 0.000 1.109 311 F CA -0.623 57.245 58.000 -0.220 0.000 1.161 311 F CB 0.275 39.069 39.000 -0.344 0.000 1.117 311 F HN 0.231 nan 8.300 nan 0.000 0.539 312 V N 8.241 128.120 119.914 -0.058 0.000 2.370 312 V HA 0.317 4.436 4.120 -0.001 0.000 0.279 312 V C -0.553 175.503 176.094 -0.062 0.000 1.029 312 V CA -0.767 61.560 62.300 0.044 0.000 0.870 312 V CB 1.172 33.037 31.823 0.070 0.000 0.984 312 V HN 0.631 nan 8.190 nan 0.000 0.451 313 L N 6.389 127.695 121.223 0.139 0.000 2.325 313 L HA 0.680 5.020 4.340 -0.001 0.000 0.281 313 L C -1.086 175.921 176.870 0.228 0.000 1.004 313 L CA -0.223 54.718 54.840 0.167 0.000 0.823 313 L CB 1.325 43.574 42.059 0.316 0.000 1.236 313 L HN 0.546 nan 8.230 nan 0.000 0.415 314 F N 6.949 126.938 119.950 0.066 0.000 2.469 314 F HA 0.829 5.355 4.527 -0.001 0.000 0.332 314 F C -0.556 175.267 175.800 0.038 0.000 1.103 314 F CA -0.654 57.392 58.000 0.077 0.000 0.979 314 F CB 1.535 40.577 39.000 0.070 0.000 1.137 314 F HN 0.641 nan 8.300 nan 0.000 0.463 315 M N 3.326 122.373 119.600 -0.922 0.000 2.578 315 M HA 0.492 4.971 4.480 -0.001 0.000 0.276 315 M C -1.396 174.459 176.300 -0.742 0.000 1.245 315 M CA -0.889 54.035 55.300 -0.627 0.000 0.871 315 M CB 1.704 34.217 32.600 -0.145 0.000 1.722 315 M HN 0.428 nan 8.290 nan 0.000 0.473 316 S N -0.037 115.478 115.700 -0.309 0.000 2.652 316 S HA 0.274 4.743 4.470 -0.001 0.000 0.270 316 S C 0.288 174.910 174.600 0.037 0.000 1.243 316 S CA 0.020 58.161 58.200 -0.099 0.000 0.999 316 S CB 0.758 63.977 63.200 0.031 0.000 0.973 316 S HN 0.903 nan 8.310 nan 0.000 0.544 317 D N 0.836 121.273 120.400 0.062 0.000 2.360 317 D HA 0.075 4.715 4.640 -0.001 0.000 0.210 317 D C 0.281 176.639 176.300 0.097 0.000 1.047 317 D CA 0.165 54.218 54.000 0.088 0.000 0.854 317 D CB -0.370 40.474 40.800 0.072 0.000 0.936 317 D HN 0.688 nan 8.370 nan 0.000 0.514 318 N N -1.735 117.032 118.700 0.111 0.000 3.465 318 N HA 0.188 4.927 4.740 -0.001 0.000 0.244 318 N C -0.202 175.392 175.510 0.141 0.000 1.454 318 N CA -0.743 52.378 53.050 0.119 0.000 0.865 318 N CB 0.495 39.053 38.487 0.118 0.000 1.439 318 N HN -0.049 nan 8.380 nan 0.000 0.480 319 G N -0.540 108.354 108.800 0.156 0.000 2.634 319 G HA2 0.501 4.460 3.960 -0.001 0.000 0.255 319 G HA3 0.501 4.460 3.960 -0.001 0.000 0.255 319 G C 0.295 175.334 174.900 0.232 0.000 1.205 319 G CA 0.065 45.276 45.100 0.186 0.000 0.884 319 G HN 0.768 nan 8.290 nan 0.000 0.549 320 A N -0.286 122.686 122.820 0.253 0.000 2.507 320 A HA 0.392 4.711 4.320 -0.001 0.000 0.235 320 A C 0.522 178.280 177.584 0.290 0.000 1.070 320 A CA 0.127 52.328 52.037 0.274 0.000 0.768 320 A CB 0.312 19.474 19.000 0.270 0.000 1.011 320 A HN 0.644 nan 8.150 nan 0.000 0.502 321 E N 1.285 121.652 120.200 0.279 0.000 2.001 321 E HA 0.428 4.778 4.350 -0.001 0.000 0.279 321 E C 0.855 177.572 176.600 0.195 0.000 1.045 321 E CA 0.470 57.025 56.400 0.257 0.000 0.833 321 E CB 0.187 30.010 29.700 0.205 0.000 1.077 321 E HN 0.590 nan 8.360 nan 0.000 0.397 322 G N 3.189 111.853 108.800 -0.226 0.000 3.189 322 G HA2 0.247 4.207 3.960 -0.001 0.000 0.225 322 G HA3 0.247 4.207 3.960 -0.001 0.000 0.225 322 G C 0.519 175.236 174.900 -0.305 0.000 1.159 322 G CA 0.199 44.841 45.100 -0.763 0.000 0.763 322 G HN 0.668 nan 8.290 nan 0.000 0.549 323 A N 0.254 123.145 122.820 0.118 0.000 2.498 323 A HA 0.536 4.855 4.320 -0.001 0.000 0.239 323 A C 0.063 177.801 177.584 0.258 0.000 1.068 323 A CA -0.034 52.189 52.037 0.310 0.000 0.766 323 A CB 0.267 19.453 19.000 0.309 0.000 1.003 323 A HN 0.279 nan 8.150 nan 0.000 0.497 324 L N 3.657 125.073 121.223 0.322 0.000 2.270 324 L HA 0.177 4.517 4.340 -0.001 0.000 0.286 324 L C 0.887 177.875 176.870 0.197 0.000 1.059 324 L CA -0.305 54.724 54.840 0.316 0.000 0.839 324 L CB 0.679 42.908 42.059 0.283 0.000 1.221 324 L HN 0.793 nan 8.230 nan 0.000 0.431 325 L N 2.408 123.407 121.223 -0.374 0.000 2.191 325 L HA -0.159 4.181 4.340 -0.001 0.000 0.212 325 L C 2.432 179.338 176.870 0.060 0.000 1.103 325 L CA 0.872 55.486 54.840 -0.376 0.000 0.769 325 L CB -0.380 40.732 42.059 -1.578 0.000 0.908 325 L HN 0.737 nan 8.230 nan 0.000 0.438 326 E N 1.110 121.408 120.200 0.164 0.000 2.472 326 E HA -0.146 4.203 4.350 -0.001 0.000 0.200 326 E C 1.724 178.398 176.600 0.125 0.000 1.046 326 E CA 1.116 57.644 56.400 0.213 0.000 0.871 326 E CB 0.031 29.911 29.700 0.301 0.000 0.806 326 E HN 0.442 nan 8.360 nan 0.000 0.533 327 A N 0.461 123.318 122.820 0.062 0.000 2.238 327 A HA 0.230 4.550 4.320 -0.001 0.000 0.210 327 A C 0.158 177.493 177.584 -0.414 0.000 1.179 327 A CA -0.245 51.672 52.037 -0.200 0.000 0.827 327 A CB -0.135 18.661 19.000 -0.340 0.000 0.856 327 A HN 0.127 nan 8.150 nan 0.000 0.488 328 F N -0.509 119.380 119.950 -0.101 0.000 2.347 328 F HA 0.393 4.920 4.527 -0.001 0.000 0.366 328 F C -1.778 173.891 175.800 -0.218 0.000 1.107 328 F CA -2.138 55.697 58.000 -0.276 0.000 1.058 328 F CB 1.582 40.157 39.000 -0.710 0.000 1.236 328 F HN -0.030 nan 8.300 nan 0.000 0.456 329 P HA -0.191 nan 4.420 nan 0.000 0.219 329 P C 1.755 179.044 177.300 -0.020 0.000 1.146 329 P CA 1.680 64.774 63.100 -0.011 0.000 0.808 329 P CB 0.187 31.872 31.700 -0.023 0.000 0.779 330 K N -1.046 119.295 120.400 -0.097 0.000 2.280 330 K HA -0.137 4.183 4.320 -0.001 0.000 0.202 330 K C 1.566 178.184 176.600 0.030 0.000 1.047 330 K CA 1.398 57.629 56.287 -0.094 0.000 0.942 330 K CB -1.799 30.580 32.500 -0.203 0.000 0.739 330 K HN 0.117 nan 8.250 nan 0.000 0.457 331 F N 0.307 120.253 119.950 -0.007 0.000 2.743 331 F HA 0.278 4.804 4.527 -0.001 0.000 0.297 331 F C 1.790 177.546 175.800 -0.073 0.000 1.131 331 F CA -0.660 57.302 58.000 -0.063 0.000 1.426 331 F CB -0.614 38.320 39.000 -0.109 0.000 1.116 331 F HN 0.263 nan 8.300 nan 0.000 0.583 332 G N 0.820 109.694 108.800 0.123 0.000 2.504 332 G HA2 0.303 4.262 3.960 -0.001 0.000 0.257 332 G HA3 0.303 4.262 3.960 -0.001 0.000 0.257 332 G C -2.444 172.463 174.900 0.013 0.000 1.451 332 G CA -0.890 44.241 45.100 0.052 0.000 1.059 332 G HN -0.122 nan 8.290 nan 0.000 0.550 333 P HA 0.176 nan 4.420 nan 0.000 0.277 333 P C -0.556 176.771 177.300 0.044 0.000 1.240 333 P CA 0.154 63.271 63.100 0.029 0.000 0.798 333 P CB 1.128 32.848 31.700 0.034 0.000 0.979 334 D N 0.377 120.821 120.400 0.073 0.000 2.735 334 D HA -0.181 4.459 4.640 -0.001 0.000 0.235 334 D C 0.536 176.923 176.300 0.145 0.000 1.175 334 D CA 0.244 54.309 54.000 0.109 0.000 0.683 334 D CB -1.031 39.844 40.800 0.125 0.000 1.008 334 D HN 0.208 nan 8.370 nan 0.000 0.416 335 L N 1.283 122.575 121.223 0.115 0.000 1.994 335 L HA -0.064 4.276 4.340 -0.001 0.000 0.208 335 L C 2.153 179.145 176.870 0.204 0.000 1.071 335 L CA 1.750 56.663 54.840 0.122 0.000 0.745 335 L CB -0.426 41.672 42.059 0.064 0.000 0.892 335 L HN 0.539 nan 8.230 nan 0.000 0.431 336 L N -0.718 120.622 121.223 0.195 0.000 2.083 336 L HA -0.137 4.202 4.340 -0.001 0.000 0.209 336 L C 2.492 179.469 176.870 0.177 0.000 1.083 336 L CA 1.265 56.219 54.840 0.190 0.000 0.752 336 L CB -1.363 40.789 42.059 0.155 0.000 0.899 336 L HN 0.498 nan 8.230 nan 0.000 0.433 337 G N -0.707 108.199 108.800 0.176 0.000 2.394 337 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.215 337 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.215 337 G C 1.487 176.514 174.900 0.211 0.000 1.165 337 G CA 0.264 45.458 45.100 0.157 0.000 0.784 337 G HN 0.261 nan 8.290 nan 0.000 0.535 338 F N 1.219 121.253 119.950 0.139 0.000 2.126 338 F HA 0.004 4.530 4.527 -0.001 0.000 0.299 338 F C 2.430 178.411 175.800 0.301 0.000 1.096 338 F CA 1.210 59.344 58.000 0.223 0.000 1.255 338 F CB -0.031 39.065 39.000 0.160 0.000 0.997 338 F HN 0.019 nan 8.300 nan 0.000 0.479 339 L N -0.317 121.142 121.223 0.394 0.000 2.141 339 L HA -0.193 4.146 4.340 -0.001 0.000 0.209 339 L C 1.994 179.022 176.870 0.263 0.000 1.094 339 L CA 1.652 56.705 54.840 0.355 0.000 0.763 339 L CB -0.802 41.375 42.059 0.196 0.000 0.908 339 L HN 0.133 nan 8.230 nan 0.000 0.437 340 D N 0.121 120.614 120.400 0.156 0.000 2.178 340 D HA -0.171 4.468 4.640 -0.001 0.000 0.201 340 D C 2.072 178.376 176.300 0.007 0.000 0.980 340 D CA 1.082 55.130 54.000 0.081 0.000 0.842 340 D CB 0.261 41.097 40.800 0.059 0.000 0.948 340 D HN -0.008 nan 8.370 nan 0.000 0.472 341 R N -1.315 119.142 120.500 -0.071 0.000 2.290 341 R HA 0.233 4.573 4.340 -0.001 0.000 0.197 341 R C 1.154 177.115 176.300 -0.566 0.000 0.913 341 R CA 0.598 56.524 56.100 -0.291 0.000 1.040 341 R CB 0.186 30.287 30.300 -0.333 0.000 0.992 341 R HN 0.341 nan 8.270 nan 0.000 0.500 342 H N -2.420 116.550 119.070 -0.167 0.000 3.457 342 H HA 0.265 4.820 4.556 -0.001 0.000 0.255 342 H C -0.327 174.856 175.328 -0.242 0.000 1.082 342 H CA 0.189 56.080 56.048 -0.262 0.000 1.189 342 H CB 0.756 30.198 29.762 -0.534 0.000 1.511 342 H HN 0.001 nan 8.280 nan 0.000 0.527 343 Y N 0.513 120.899 120.300 0.145 0.000 2.650 343 Y HA 0.355 4.905 4.550 -0.001 0.000 0.331 343 Y C -0.115 175.835 175.900 0.084 0.000 1.082 343 Y CA -1.137 57.069 58.100 0.177 0.000 1.171 343 Y CB 1.366 39.984 38.460 0.262 0.000 1.326 343 Y HN -0.138 nan 8.280 nan 0.000 0.513 344 D N 0.227 120.770 120.400 0.238 0.000 2.440 344 D HA 0.238 4.878 4.640 -0.001 0.000 0.252 344 D C -0.832 175.542 176.300 0.124 0.000 1.180 344 D CA -0.384 53.688 54.000 0.119 0.000 0.894 344 D CB 0.251 41.078 40.800 0.044 0.000 1.111 344 D HN 0.422 nan 8.370 nan 0.000 0.544 345 N N 1.275 120.038 118.700 0.104 0.000 2.251 345 N HA 0.030 4.770 4.740 -0.001 0.000 0.217 345 N C 0.040 175.571 175.510 0.035 0.000 1.124 345 N CA -0.093 52.999 53.050 0.070 0.000 0.843 345 N CB 0.484 39.000 38.487 0.048 0.000 1.024 345 N HN 0.464 nan 8.380 nan 0.000 0.501 346 S N -0.030 115.689 115.700 0.032 0.000 2.573 346 S HA 0.013 4.482 4.470 -0.001 0.000 0.277 346 S C 1.600 176.210 174.600 0.017 0.000 1.346 346 S CA -0.561 57.650 58.200 0.017 0.000 1.034 346 S CB 0.984 64.190 63.200 0.011 0.000 0.879 346 S HN 0.146 nan 8.310 nan 0.000 0.528 347 L N 2.106 123.337 121.223 0.014 0.000 2.021 347 L HA -0.065 4.274 4.340 -0.001 0.000 0.215 347 L C 2.821 179.702 176.870 0.018 0.000 1.074 347 L CA 2.896 57.748 54.840 0.019 0.000 0.760 347 L CB -1.598 40.472 42.059 0.018 0.000 0.889 347 L HN 1.000 nan 8.230 nan 0.000 0.433 348 E N -1.180 119.026 120.200 0.010 0.000 2.482 348 E HA -0.122 4.228 4.350 -0.001 0.000 0.196 348 E C 1.807 178.407 176.600 -0.000 0.000 1.047 348 E CA 0.931 57.334 56.400 0.004 0.000 0.869 348 E CB -0.997 28.701 29.700 -0.003 0.000 0.836 348 E HN 0.708 nan 8.360 nan 0.000 0.520 349 N N -0.897 117.807 118.700 0.006 0.000 2.282 349 N HA 0.148 4.887 4.740 -0.001 0.000 0.185 349 N C 0.138 175.662 175.510 0.024 0.000 1.099 349 N CA -0.292 52.761 53.050 0.005 0.000 0.878 349 N CB -0.006 38.485 38.487 0.008 0.000 0.993 349 N HN 0.376 nan 8.380 nan 0.000 0.481 350 I N 0.269 120.858 120.570 0.032 0.000 2.741 350 I HA 0.038 4.207 4.170 -0.001 0.000 0.288 350 I C 1.421 177.564 176.117 0.043 0.000 1.192 350 I CA 0.987 62.313 61.300 0.043 0.000 1.426 350 I CB 0.217 38.237 38.000 0.032 0.000 1.367 350 I HN 0.377 nan 8.210 nan 0.000 0.563 351 G N 4.737 113.578 108.800 0.069 0.000 2.238 351 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.217 351 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.217 351 G C 0.478 175.443 174.900 0.108 0.000 0.996 351 G CA -0.639 44.511 45.100 0.083 0.000 0.632 351 G HN 0.455 nan 8.290 nan 0.000 0.503 352 R N 0.396 120.928 120.500 0.053 0.000 2.580 352 R HA 0.732 5.071 4.340 -0.001 0.000 0.267 352 R C 1.842 178.168 176.300 0.044 0.000 1.125 352 R CA 0.168 56.244 56.100 -0.040 0.000 1.188 352 R CB -0.046 30.200 30.300 -0.091 0.000 1.155 352 R HN 0.473 nan 8.270 nan 0.000 0.586 353 A N 1.455 124.199 122.820 -0.127 0.000 1.978 353 A HA -0.198 4.122 4.320 -0.001 0.000 0.220 353 A C 1.122 178.828 177.584 0.203 0.000 1.170 353 A CA 1.917 54.010 52.037 0.094 0.000 0.636 353 A CB -0.509 18.425 19.000 -0.109 0.000 0.810 353 A HN 0.759 nan 8.150 nan 0.000 0.448 354 N N -0.103 118.586 118.700 -0.017 0.000 2.321 354 N HA 0.055 4.794 4.740 -0.001 0.000 0.242 354 N C -0.085 175.642 175.510 0.361 0.000 1.141 354 N CA 0.546 53.608 53.050 0.020 0.000 0.864 354 N CB -0.233 37.983 38.487 -0.450 0.000 1.100 354 N HN 0.388 nan 8.380 nan 0.000 0.510 355 S N -0.514 115.411 115.700 0.374 0.000 2.681 355 S HA 0.554 5.023 4.470 -0.001 0.000 0.299 355 S C -1.078 173.766 174.600 0.406 0.000 1.113 355 S CA -0.640 57.775 58.200 0.357 0.000 1.013 355 S CB 1.509 64.821 63.200 0.187 0.000 1.076 355 S HN 0.241 nan 8.310 nan 0.000 0.534 356 Y N 1.063 121.439 120.300 0.125 0.000 2.379 356 Y HA 0.468 5.017 4.550 -0.001 0.000 0.342 356 Y C -0.805 175.111 175.900 0.026 0.000 1.126 356 Y CA -0.675 57.455 58.100 0.050 0.000 1.310 356 Y CB 1.126 39.401 38.460 -0.308 0.000 1.115 356 Y HN 0.909 nan 8.280 nan 0.000 0.505 357 V N 1.128 121.105 119.914 0.106 0.000 3.102 357 V HA 0.897 5.017 4.120 -0.001 0.000 0.312 357 V C -1.489 174.707 176.094 0.170 0.000 1.135 357 V CA -1.152 61.093 62.300 -0.091 0.000 1.022 357 V CB 2.072 33.811 31.823 -0.140 0.000 1.056 357 V HN 0.628 nan 8.190 nan 0.000 0.436 358 W N 2.392 123.753 121.300 0.101 0.000 3.033 358 W HA 0.749 5.408 4.660 -0.001 0.000 0.336 358 W C -0.235 176.407 176.519 0.205 0.000 1.173 358 W CA -0.918 56.495 57.345 0.114 0.000 1.185 358 W CB 1.020 30.473 29.460 -0.011 0.000 1.425 358 W HN 0.744 nan 8.180 nan 0.000 0.536 359 Y N 1.063 121.506 120.300 0.239 0.000 2.462 359 Y HA 0.504 5.053 4.550 -0.001 0.000 0.261 359 Y C 0.766 176.820 175.900 0.257 0.000 1.146 359 Y CA -1.022 57.161 58.100 0.139 0.000 1.283 359 Y CB -0.929 37.495 38.460 -0.060 0.000 1.090 359 Y HN 1.212 nan 8.280 nan 0.000 0.526 360 G N 1.738 110.863 108.800 0.541 0.000 2.796 360 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.571 360 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.571 360 G C -1.980 172.948 174.900 0.046 0.000 1.370 360 G CA -0.342 44.939 45.100 0.302 0.000 0.856 360 G HN 0.138 nan 8.290 nan 0.000 0.538 361 P HA -0.031 nan 4.420 nan 0.000 0.222 361 P C 1.603 178.794 177.300 -0.182 0.000 1.153 361 P CA 1.164 64.140 63.100 -0.208 0.000 0.798 361 P CB 0.090 31.763 31.700 -0.045 0.000 0.796 362 R N -1.036 119.351 120.500 -0.189 0.000 2.075 362 R HA -0.030 4.309 4.340 -0.001 0.000 0.226 362 R C 2.482 178.532 176.300 -0.416 0.000 1.114 362 R CA 1.316 57.243 56.100 -0.289 0.000 0.972 362 R CB -0.766 29.334 30.300 -0.333 0.000 0.869 362 R HN 0.231 nan 8.270 nan 0.000 0.437 363 W N 1.007 122.037 121.300 -0.450 0.000 2.358 363 W HA -0.143 4.517 4.660 -0.001 0.000 0.303 363 W C 2.534 178.582 176.519 -0.784 0.000 1.208 363 W CA 0.904 57.802 57.345 -0.746 0.000 1.274 363 W CB -0.217 28.523 29.460 -1.201 0.000 1.138 363 W HN 0.188 nan 8.180 nan 0.000 0.515 364 A N -0.053 122.474 122.820 -0.488 0.000 1.902 364 A HA -0.257 4.062 4.320 -0.001 0.000 0.217 364 A C 1.832 179.383 177.584 -0.055 0.000 1.181 364 A CA 1.694 53.600 52.037 -0.217 0.000 0.623 364 A CB -0.813 18.100 19.000 -0.145 0.000 0.818 364 A HN 0.416 nan 8.150 nan 0.000 0.443 365 Q N -0.859 118.902 119.800 -0.065 0.000 2.369 365 Q HA 0.060 4.400 4.340 -0.001 0.000 0.206 365 Q C 2.234 178.234 176.000 0.001 0.000 0.963 365 Q CA 0.699 56.515 55.803 0.021 0.000 0.894 365 Q CB -0.286 28.472 28.738 0.034 0.000 0.965 365 Q HN 0.703 nan 8.270 nan 0.000 0.475 366 A N 0.817 123.607 122.820 -0.050 0.000 1.972 366 A HA -0.120 4.199 4.320 -0.001 0.000 0.219 366 A C 2.122 179.745 177.584 0.065 0.000 1.169 366 A CA 1.679 53.711 52.037 -0.010 0.000 0.635 366 A CB -0.404 18.588 19.000 -0.013 0.000 0.810 366 A HN 0.383 nan 8.150 nan 0.000 0.446 367 A N -1.013 121.855 122.820 0.079 0.000 2.147 367 A HA 0.158 4.477 4.320 -0.001 0.000 0.211 367 A C 2.158 179.868 177.584 0.211 0.000 1.160 367 A CA 1.651 53.778 52.037 0.151 0.000 0.781 367 A CB -0.648 18.446 19.000 0.157 0.000 0.842 367 A HN 0.671 nan 8.150 nan 0.000 0.475 368 T N -2.569 112.086 114.554 0.168 0.000 3.057 368 T HA 0.462 4.811 4.350 -0.001 0.000 0.254 368 T C 0.992 175.767 174.700 0.124 0.000 1.094 368 T CA 0.526 62.723 62.100 0.162 0.000 1.088 368 T CB -0.512 68.431 68.868 0.125 0.000 0.934 368 T HN 0.607 nan 8.240 nan 0.000 0.497 369 A N 3.595 126.485 122.820 0.116 0.000 2.561 369 A HA 0.362 4.681 4.320 -0.001 0.000 0.234 369 A C -0.813 176.849 177.584 0.131 0.000 1.055 369 A CA -0.864 51.228 52.037 0.092 0.000 0.756 369 A CB 0.100 19.146 19.000 0.076 0.000 0.986 369 A HN 0.375 nan 8.150 nan 0.000 0.505 370 P HA 0.070 nan 4.420 nan 0.000 0.257 370 P C -0.002 177.303 177.300 0.008 0.000 1.281 370 P CA 0.024 63.149 63.100 0.041 0.000 0.826 370 P CB 0.058 31.779 31.700 0.035 0.000 1.237 371 S N 0.858 116.541 115.700 -0.029 0.000 2.584 371 S HA 0.155 4.624 4.470 -0.001 0.000 0.270 371 S C 0.540 175.075 174.600 -0.109 0.000 1.346 371 S CA -0.439 57.708 58.200 -0.088 0.000 1.018 371 S CB 0.690 63.812 63.200 -0.129 0.000 0.899 371 S HN 0.117 nan 8.310 nan 0.000 0.542 372 R N 1.699 122.052 120.500 -0.244 0.000 2.351 372 R HA 0.351 4.690 4.340 -0.001 0.000 0.318 372 R C 0.070 176.109 176.300 -0.435 0.000 1.055 372 R CA 0.102 55.893 56.100 -0.515 0.000 0.968 372 R CB -0.653 29.203 30.300 -0.741 0.000 0.974 372 R HN 0.709 nan 8.270 nan 0.000 0.439 373 L N 2.346 123.316 121.223 -0.422 0.000 7.357 373 L HA -0.400 3.939 4.340 -0.001 0.000 0.053 373 L C -0.594 176.166 176.870 -0.183 0.000 1.534 373 L CA 1.416 55.944 54.840 -0.520 0.000 1.544 373 L CB -1.417 39.975 42.059 -1.110 0.000 2.835 373 L HN 0.880 nan 8.230 nan 0.000 1.139 374 Y N -2.816 117.463 120.300 -0.034 0.000 2.930 374 Y HA 0.480 5.030 4.550 -0.001 0.000 0.336 374 Y C -0.330 175.737 175.900 0.279 0.000 1.416 374 Y CA -1.120 57.054 58.100 0.123 0.000 1.091 374 Y CB 0.279 38.817 38.460 0.130 0.000 1.631 374 Y HN 0.476 nan 8.280 nan 0.000 0.436 375 K N 1.171 121.903 120.400 0.554 0.000 2.600 375 K HA 0.226 4.546 4.320 -0.001 0.000 0.280 375 K C 0.840 177.691 176.600 0.419 0.000 0.971 375 K CA 1.891 58.428 56.287 0.416 0.000 1.053 375 K CB -0.141 32.584 32.500 0.376 0.000 0.856 375 K HN 1.781 nan 8.250 nan 0.000 0.495 376 A N 2.431 125.400 122.820 0.248 0.000 3.383 376 A HA -0.198 4.121 4.320 -0.001 0.000 0.264 376 A C -0.437 177.088 177.584 -0.098 0.000 1.154 376 A CA 1.196 53.317 52.037 0.140 0.000 1.179 376 A CB -2.306 16.780 19.000 0.144 0.000 1.133 376 A HN 0.573 nan 8.150 nan 0.000 0.933 377 F N -0.081 119.890 119.950 0.035 0.000 2.432 377 F HA 0.532 5.058 4.527 -0.001 0.000 0.329 377 F C 1.808 177.577 175.800 -0.051 0.000 1.076 377 F CA 0.386 58.362 58.000 -0.041 0.000 1.018 377 F CB 1.433 40.321 39.000 -0.187 0.000 1.201 377 F HN 0.184 nan 8.300 nan 0.000 0.489 378 T N -3.452 111.167 114.554 0.109 0.000 3.107 378 T HA 0.059 4.409 4.350 -0.001 0.000 0.249 378 T C 0.677 175.306 174.700 -0.118 0.000 1.096 378 T CA 0.082 62.167 62.100 -0.025 0.000 1.012 378 T CB -1.028 67.868 68.868 0.048 0.000 0.977 378 T HN 0.631 nan 8.240 nan 0.000 0.527 379 T N 0.187 114.703 114.554 -0.063 0.000 2.748 379 T HA 0.151 4.500 4.350 -0.001 0.000 0.304 379 T C 1.262 175.854 174.700 -0.180 0.000 1.041 379 T CA -0.711 61.296 62.100 -0.155 0.000 1.033 379 T CB 0.724 69.455 68.868 -0.228 0.000 0.995 379 T HN -0.051 nan 8.240 nan 0.000 0.536 380 Q N 0.884 120.567 119.800 -0.194 0.000 2.181 380 Q HA -0.058 4.281 4.340 -0.001 0.000 0.205 380 Q C 2.536 178.453 176.000 -0.138 0.000 0.980 380 Q CA 1.838 57.546 55.803 -0.157 0.000 0.862 380 Q CB -1.159 27.493 28.738 -0.142 0.000 0.905 380 Q HN 1.004 nan 8.270 nan 0.000 0.429 381 G N 0.205 108.922 108.800 -0.138 0.000 2.462 381 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.220 381 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.220 381 G C 1.392 176.303 174.900 0.019 0.000 1.121 381 G CA 0.934 45.995 45.100 -0.065 0.000 0.758 381 G HN 0.491 nan 8.290 nan 0.000 0.559 382 G N 0.683 109.489 108.800 0.011 0.000 2.539 382 G HA2 0.140 4.100 3.960 -0.001 0.000 0.215 382 G HA3 0.140 4.100 3.960 -0.001 0.000 0.215 382 G C 1.582 176.506 174.900 0.040 0.000 1.141 382 G CA 0.897 46.047 45.100 0.082 0.000 0.806 382 G HN 0.688 nan 8.290 nan 0.000 0.533 383 I N -3.972 116.575 120.570 -0.039 0.000 4.403 383 I HA 0.496 4.666 4.170 -0.001 0.000 0.331 383 I C 0.651 176.730 176.117 -0.064 0.000 1.327 383 I CA -0.520 60.760 61.300 -0.032 0.000 1.175 383 I CB 0.613 38.493 38.000 -0.200 0.000 1.165 383 I HN -0.230 nan 8.210 nan 0.000 0.413 384 R N 3.443 123.845 120.500 -0.165 0.000 2.221 384 R HA 0.520 4.859 4.340 -0.001 0.000 0.327 384 R C -0.889 175.330 176.300 -0.134 0.000 1.033 384 R CA -0.038 55.851 56.100 -0.352 0.000 0.887 384 R CB 1.399 31.447 30.300 -0.419 0.000 1.057 384 R HN 0.260 nan 8.270 nan 0.000 0.455 385 V N 2.265 122.183 119.914 0.007 0.000 3.001 385 V HA 0.733 4.853 4.120 -0.001 0.000 0.314 385 V C -2.634 173.661 176.094 0.335 0.000 1.099 385 V CA -2.552 59.867 62.300 0.198 0.000 0.989 385 V CB 2.212 34.154 31.823 0.198 0.000 1.040 385 V HN 0.639 nan 8.190 nan 0.000 0.434 386 P HA 0.609 nan 4.420 nan 0.000 0.279 386 P C -0.687 176.570 177.300 -0.073 0.000 1.239 386 P CA 0.060 63.083 63.100 -0.129 0.000 0.789 386 P CB 1.543 32.764 31.700 -0.799 0.000 0.933 387 A N 2.890 125.723 122.820 0.021 0.000 2.574 387 A HA 0.743 5.062 4.320 -0.001 0.000 0.297 387 A C -1.198 176.519 177.584 0.221 0.000 1.062 387 A CA -0.621 51.408 52.037 -0.014 0.000 0.686 387 A CB 1.186 19.893 19.000 -0.488 0.000 1.285 387 A HN 0.556 nan 8.150 nan 0.000 0.403 388 L N -0.934 120.401 121.223 0.186 0.000 2.424 388 L HA 0.975 5.315 4.340 -0.001 0.000 0.258 388 L C -1.352 175.536 176.870 0.029 0.000 0.995 388 L CA -0.885 54.050 54.840 0.159 0.000 0.821 388 L CB 1.977 44.184 42.059 0.246 0.000 1.383 388 L HN 0.411 nan 8.230 nan 0.000 0.410 389 V N 1.621 121.492 119.914 -0.071 0.000 2.483 389 V HA 0.727 4.846 4.120 -0.001 0.000 0.297 389 V C -0.607 175.369 176.094 -0.197 0.000 1.027 389 V CA -0.382 61.786 62.300 -0.219 0.000 0.855 389 V CB 1.550 33.199 31.823 -0.290 0.000 0.995 389 V HN 0.837 nan 8.190 nan 0.000 0.424 390 R N 4.018 124.401 120.500 -0.195 0.000 2.360 390 R HA 0.607 4.946 4.340 -0.001 0.000 0.318 390 R C -1.898 174.388 176.300 -0.023 0.000 0.950 390 R CA -0.581 55.467 56.100 -0.087 0.000 0.837 390 R CB 0.804 31.087 30.300 -0.027 0.000 1.165 390 R HN 0.631 nan 8.270 nan 0.000 0.458 391 Y N 7.091 127.301 120.300 -0.150 0.000 2.283 391 Y HA 0.296 4.846 4.550 -0.001 0.000 0.329 391 Y C -2.344 173.542 175.900 -0.023 0.000 1.181 391 Y CA -2.183 55.882 58.100 -0.059 0.000 1.283 391 Y CB 1.899 40.357 38.460 -0.003 0.000 1.186 391 Y HN 0.604 nan 8.280 nan 0.000 0.436 392 P HA -0.037 nan 4.420 nan 0.000 0.230 392 P C 1.003 178.103 177.300 -0.334 0.000 1.158 392 P CA 1.024 63.992 63.100 -0.220 0.000 0.769 392 P CB 0.304 31.918 31.700 -0.144 0.000 0.807 393 R N -1.101 119.000 120.500 -0.666 0.000 2.115 393 R HA -0.010 4.329 4.340 -0.001 0.000 0.230 393 R C 0.752 176.911 176.300 -0.236 0.000 1.111 393 R CA 0.343 56.169 56.100 -0.455 0.000 0.976 393 R CB -0.613 29.315 30.300 -0.619 0.000 0.870 393 R HN 0.199 nan 8.270 nan 0.000 0.445 394 L N 0.717 121.818 121.223 -0.203 0.000 2.426 394 L HA -0.008 4.331 4.340 -0.001 0.000 0.271 394 L C 1.678 178.510 176.870 -0.063 0.000 1.169 394 L CA 0.589 55.408 54.840 -0.035 0.000 0.836 394 L CB 1.316 43.433 42.059 0.096 0.000 1.112 394 L HN -0.025 nan 8.230 nan 0.000 0.465 395 S N 3.707 119.380 115.700 -0.044 0.000 2.368 395 S HA 0.009 4.479 4.470 -0.001 0.000 0.224 395 S C 1.000 175.560 174.600 -0.067 0.000 1.029 395 S CA 0.725 58.897 58.200 -0.047 0.000 0.988 395 S CB 0.074 63.261 63.200 -0.023 0.000 0.838 395 S HN 0.576 nan 8.310 nan 0.000 0.462 396 R N 2.109 122.547 120.500 -0.104 0.000 2.608 396 R HA 0.312 4.652 4.340 -0.001 0.000 0.277 396 R C -0.678 175.536 176.300 -0.142 0.000 1.341 396 R CA 0.010 56.028 56.100 -0.137 0.000 1.199 396 R CB 0.403 30.556 30.300 -0.244 0.000 1.156 396 R HN 0.450 nan 8.270 nan 0.000 0.558 397 Q N -0.210 119.531 119.800 -0.100 0.000 2.389 397 Q HA 0.328 4.668 4.340 -0.001 0.000 0.277 397 Q C 0.623 176.579 176.000 -0.073 0.000 1.082 397 Q CA -0.390 55.359 55.803 -0.090 0.000 0.810 397 Q CB 2.378 31.068 28.738 -0.079 0.000 1.374 397 Q HN 0.706 nan 8.270 nan 0.000 0.422 398 G N 0.243 109.001 108.800 -0.071 0.000 2.175 398 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.244 398 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.244 398 G C 0.051 174.913 174.900 -0.063 0.000 0.982 398 G CA 0.225 45.289 45.100 -0.061 0.000 0.641 398 G HN 0.879 nan 8.290 nan 0.000 0.527 399 A N -0.723 122.054 122.820 -0.071 0.000 2.387 399 A HA 0.903 5.222 4.320 -0.001 0.000 0.303 399 A C -0.320 177.215 177.584 -0.083 0.000 1.145 399 A CA -0.753 51.243 52.037 -0.069 0.000 0.801 399 A CB 1.178 20.142 19.000 -0.059 0.000 1.342 399 A HN 0.702 nan 8.150 nan 0.000 0.440 400 I N 1.076 121.594 120.570 -0.085 0.000 2.339 400 I HA 0.398 4.567 4.170 -0.001 0.000 0.290 400 I C 0.267 176.290 176.117 -0.157 0.000 0.994 400 I CA -0.161 61.084 61.300 -0.091 0.000 1.191 400 I CB 1.819 39.782 38.000 -0.062 0.000 1.343 400 I HN 0.476 nan 8.210 nan 0.000 0.458 401 S N 4.282 119.936 115.700 -0.076 0.000 2.473 401 S HA 0.421 4.891 4.470 -0.001 0.000 0.307 401 S C 0.053 174.662 174.600 0.015 0.000 1.094 401 S CA -0.601 57.565 58.200 -0.058 0.000 1.070 401 S CB 0.415 63.744 63.200 0.215 0.000 1.019 401 S HN 0.661 nan 8.310 nan 0.000 0.480 402 H N 2.500 121.675 119.070 0.176 0.000 2.505 402 H HA 0.479 5.034 4.556 -0.001 0.000 0.289 402 H C 0.790 176.201 175.328 0.139 0.000 1.052 402 H CA -0.110 56.035 56.048 0.162 0.000 1.156 402 H CB 0.200 30.038 29.762 0.127 0.000 1.507 402 H HN 0.615 nan 8.280 nan 0.000 0.548 403 A N 1.238 124.146 122.820 0.148 0.000 2.520 403 A HA 0.084 4.403 4.320 -0.001 0.000 0.245 403 A C -0.242 177.360 177.584 0.029 0.000 1.072 403 A CA -0.356 51.665 52.037 -0.026 0.000 0.761 403 A CB -0.512 18.234 19.000 -0.425 0.000 1.004 403 A HN 0.457 nan 8.150 nan 0.000 0.499 404 F N 2.609 122.545 119.950 -0.022 0.000 2.578 404 F HA 0.384 4.910 4.527 -0.001 0.000 0.376 404 F C 0.469 176.357 175.800 0.145 0.000 1.085 404 F CA 0.792 58.847 58.000 0.090 0.000 1.260 404 F CB 0.206 39.235 39.000 0.050 0.000 1.095 404 F HN 0.832 nan 8.300 nan 0.000 0.573 405 A N 3.768 126.284 122.820 -0.507 0.000 2.606 405 A HA 0.720 5.039 4.320 -0.001 0.000 0.293 405 A C -0.610 176.803 177.584 -0.285 0.000 1.082 405 A CA -0.085 51.885 52.037 -0.113 0.000 0.685 405 A CB 1.444 20.645 19.000 0.334 0.000 1.284 405 A HN 0.988 nan 8.150 nan 0.000 0.408 406 T N -2.291 112.265 114.554 0.003 0.000 2.865 406 T HA 0.480 4.830 4.350 -0.001 0.000 0.294 406 T C 0.689 175.420 174.700 0.052 0.000 1.119 406 T CA 0.223 62.200 62.100 -0.205 0.000 1.007 406 T CB 1.051 69.803 68.868 -0.194 0.000 1.225 406 T HN 1.630 nan 8.240 nan 0.000 0.515 407 V N 1.478 121.305 119.914 -0.144 0.000 2.688 407 V HA -0.069 4.051 4.120 -0.001 0.000 0.256 407 V C 2.180 178.299 176.094 0.041 0.000 1.084 407 V CA 1.993 64.370 62.300 0.129 0.000 1.103 407 V CB -1.002 30.868 31.823 0.079 0.000 0.688 407 V HN 0.877 nan 8.190 nan 0.000 0.480 408 M N -0.649 118.935 119.600 -0.027 0.000 2.557 408 M HA -0.052 4.427 4.480 -0.001 0.000 0.259 408 M C 1.283 177.515 176.300 -0.113 0.000 1.086 408 M CA 1.094 56.349 55.300 -0.074 0.000 1.096 408 M CB -0.328 32.222 32.600 -0.082 0.000 1.424 408 M HN 0.327 nan 8.290 nan 0.000 0.488 409 D N -0.107 120.226 120.400 -0.110 0.000 2.347 409 D HA -0.038 4.602 4.640 -0.001 0.000 0.215 409 D C 2.029 177.936 176.300 -0.654 0.000 0.976 409 D CA 0.784 54.587 54.000 -0.328 0.000 0.884 409 D CB 0.058 40.688 40.800 -0.285 0.000 0.915 409 D HN 0.181 nan 8.370 nan 0.000 0.526 410 V N 0.637 120.256 119.914 -0.492 0.000 2.323 410 V HA -0.186 3.934 4.120 -0.001 0.000 0.244 410 V C 2.526 178.357 176.094 -0.439 0.000 1.041 410 V CA 1.612 63.600 62.300 -0.519 0.000 1.025 410 V CB -0.692 31.002 31.823 -0.215 0.000 0.656 410 V HN 0.179 nan 8.190 nan 0.000 0.451 411 T N 0.546 114.897 114.554 -0.338 0.000 2.674 411 T HA -0.102 4.247 4.350 -0.001 0.000 0.265 411 T C -0.066 174.428 174.700 -0.343 0.000 1.039 411 T CA 2.116 64.010 62.100 -0.342 0.000 1.150 411 T CB -1.125 67.580 68.868 -0.272 0.000 0.864 411 T HN 0.415 nan 8.240 nan 0.000 0.427 412 P HA -0.052 nan 4.420 nan 0.000 0.216 412 P C 1.562 178.694 177.300 -0.279 0.000 1.150 412 P CA 1.290 64.238 63.100 -0.253 0.000 0.837 412 P CB -0.273 31.296 31.700 -0.218 0.000 0.786 413 T N -0.169 114.160 114.554 -0.375 0.000 2.737 413 T HA -0.066 4.284 4.350 -0.001 0.000 0.265 413 T C 1.741 176.181 174.700 -0.433 0.000 1.038 413 T CA 1.093 62.978 62.100 -0.359 0.000 1.144 413 T CB -0.846 67.744 68.868 -0.463 0.000 0.866 413 T HN 0.064 nan 8.240 nan 0.000 0.434 414 L N 0.425 121.288 121.223 -0.600 0.000 2.093 414 L HA 0.023 4.362 4.340 -0.001 0.000 0.208 414 L C 2.487 179.011 176.870 -0.577 0.000 1.085 414 L CA 0.927 55.249 54.840 -0.863 0.000 0.755 414 L CB -0.747 40.565 42.059 -1.245 0.000 0.904 414 L HN 0.249 nan 8.230 nan 0.000 0.435 415 L N -0.255 120.712 121.223 -0.427 0.000 2.017 415 L HA -0.249 4.090 4.340 -0.001 0.000 0.208 415 L C 2.448 179.225 176.870 -0.155 0.000 1.073 415 L CA 1.275 55.950 54.840 -0.275 0.000 0.745 415 L CB -0.629 41.300 42.059 -0.217 0.000 0.894 415 L HN 0.292 nan 8.230 nan 0.000 0.432 416 D N 0.472 120.787 120.400 -0.141 0.000 2.116 416 D HA -0.195 4.445 4.640 -0.001 0.000 0.193 416 D C 2.308 178.598 176.300 -0.016 0.000 0.998 416 D CA 1.470 55.431 54.000 -0.064 0.000 0.836 416 D CB -0.048 40.717 40.800 -0.059 0.000 0.951 416 D HN 0.216 nan 8.370 nan 0.000 0.449 417 L N 0.070 121.280 121.223 -0.022 0.000 2.141 417 L HA -0.080 4.259 4.340 -0.001 0.000 0.209 417 L C 2.426 179.395 176.870 0.166 0.000 1.094 417 L CA 1.034 55.926 54.840 0.085 0.000 0.763 417 L CB -0.258 41.863 42.059 0.104 0.000 0.908 417 L HN 0.003 nan 8.230 nan 0.000 0.437 418 A N -0.476 122.458 122.820 0.189 0.000 2.167 418 A HA 0.178 4.498 4.320 -0.001 0.000 0.214 418 A C 1.766 179.428 177.584 0.131 0.000 1.151 418 A CA 0.771 52.936 52.037 0.214 0.000 0.735 418 A CB -0.566 18.462 19.000 0.047 0.000 0.802 418 A HN 0.506 nan 8.150 nan 0.000 0.467 419 G N -1.376 107.465 108.800 0.068 0.000 2.198 419 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.260 419 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.260 419 G C 0.031 174.946 174.900 0.024 0.000 1.025 419 G CA 0.327 45.455 45.100 0.047 0.000 0.769 419 G HN 0.856 nan 8.290 nan 0.000 0.507 420 V N 0.363 120.272 119.914 -0.010 0.000 2.347 420 V HA 0.808 4.927 4.120 -0.001 0.000 0.280 420 V C 0.966 177.029 176.094 -0.051 0.000 1.021 420 V CA -0.134 62.144 62.300 -0.037 0.000 0.847 420 V CB 1.065 32.836 31.823 -0.086 0.000 0.990 420 V HN 0.869 nan 8.190 nan 0.000 0.444 421 R N 2.860 123.342 120.500 -0.031 0.000 2.543 421 R HA 0.222 4.562 4.340 -0.001 0.000 0.277 421 R C 0.277 176.556 176.300 -0.036 0.000 1.074 421 R CA -0.396 55.693 56.100 -0.018 0.000 1.076 421 R CB -0.011 30.289 30.300 -0.000 0.000 0.993 421 R HN 0.924 nan 8.270 nan 0.000 0.459 422 H N 4.764 123.773 119.070 -0.102 0.000 2.964 422 H HA 0.028 4.584 4.556 -0.001 0.000 0.328 422 H C -1.193 174.093 175.328 -0.070 0.000 1.030 422 H CA -1.007 54.968 56.048 -0.121 0.000 1.445 422 H CB 1.576 31.261 29.762 -0.128 0.000 1.449 422 H HN 0.539 nan 8.280 nan 0.000 0.581 423 P HA 0.024 nan 4.420 nan 0.000 0.230 423 P C 0.799 178.106 177.300 0.011 0.000 1.158 423 P CA 1.182 64.211 63.100 -0.120 0.000 0.769 423 P CB 0.515 32.174 31.700 -0.067 0.000 0.807 424 G N 1.034 109.924 108.800 0.150 0.000 2.601 424 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.224 424 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.224 424 G C 0.431 175.427 174.900 0.160 0.000 1.171 424 G CA 0.072 45.277 45.100 0.175 0.000 1.009 424 G HN 0.202 nan 8.290 nan 0.000 0.589 425 K N 0.297 120.752 120.400 0.091 0.000 2.374 425 K HA 0.420 4.739 4.320 -0.001 0.000 0.196 425 K C 0.997 177.640 176.600 0.071 0.000 1.023 425 K CA 0.260 56.590 56.287 0.072 0.000 1.103 425 K CB 0.613 33.136 32.500 0.038 0.000 0.848 425 K HN 0.299 nan 8.250 nan 0.000 0.528 426 R N -0.178 120.371 120.500 0.081 0.000 2.686 426 R HA 0.454 4.793 4.340 -0.001 0.000 0.283 426 R C -2.375 174.027 176.300 0.170 0.000 0.978 426 R CA -0.890 55.264 56.100 0.090 0.000 0.897 426 R CB 1.303 31.629 30.300 0.042 0.000 1.192 426 R HN 0.329 nan 8.270 nan 0.000 0.457 427 W N 2.188 123.453 121.300 -0.058 0.000 3.624 427 W HA 0.439 5.099 4.660 -0.001 0.000 0.312 427 W C -0.040 176.445 176.519 -0.058 0.000 1.203 427 W CA -0.688 56.610 57.345 -0.077 0.000 1.225 427 W CB 1.215 30.606 29.460 -0.114 0.000 1.321 427 W HN 0.891 nan 8.180 nan 0.000 0.506 428 R N 4.102 124.173 120.500 -0.715 0.000 3.405 428 R HA -0.189 4.150 4.340 -0.001 0.000 0.258 428 R C 0.942 177.083 176.300 -0.266 0.000 1.030 428 R CA 1.589 57.303 56.100 -0.644 0.000 0.691 428 R CB -1.628 28.137 30.300 -0.891 0.000 1.093 428 R HN 1.556 nan 8.270 nan 0.000 0.448 429 G N 0.137 108.831 108.800 -0.175 0.000 2.147 429 G HA2 -0.373 3.587 3.960 -0.001 0.000 0.244 429 G HA3 -0.373 3.587 3.960 -0.001 0.000 0.244 429 G C 0.011 174.886 174.900 -0.042 0.000 1.005 429 G CA 0.666 45.709 45.100 -0.095 0.000 0.713 429 G HN 0.704 nan 8.290 nan 0.000 0.515 430 R N -1.433 119.063 120.500 -0.007 0.000 2.799 430 R HA 0.728 5.068 4.340 -0.001 0.000 0.270 430 R C -0.885 175.447 176.300 0.054 0.000 1.010 430 R CA -0.347 55.770 56.100 0.028 0.000 0.916 430 R CB 1.065 31.392 30.300 0.046 0.000 1.228 430 R HN 0.253 nan 8.270 nan 0.000 0.469 431 E N 2.154 122.379 120.200 0.042 0.000 2.344 431 E HA 0.353 4.703 4.350 -0.001 0.000 0.270 431 E C -0.162 176.472 176.600 0.056 0.000 1.021 431 E CA -0.218 56.207 56.400 0.042 0.000 0.887 431 E CB 0.139 29.852 29.700 0.022 0.000 0.997 431 E HN 0.426 nan 8.360 nan 0.000 0.429 432 I N 0.458 121.067 120.570 0.064 0.000 2.969 432 I HA 0.900 5.070 4.170 -0.001 0.000 0.307 432 I C -0.015 176.130 176.117 0.045 0.000 1.149 432 I CA -1.342 59.994 61.300 0.060 0.000 1.008 432 I CB 2.112 40.162 38.000 0.083 0.000 1.232 432 I HN 0.623 nan 8.210 nan 0.000 0.435 433 A N 2.515 125.347 122.820 0.020 0.000 2.351 433 A HA 0.514 4.834 4.320 -0.001 0.000 0.257 433 A C -0.169 177.411 177.584 -0.007 0.000 1.087 433 A CA -0.338 51.693 52.037 -0.010 0.000 0.798 433 A CB 0.236 19.206 19.000 -0.050 0.000 1.033 433 A HN 0.825 nan 8.150 nan 0.000 0.488 434 E N 1.101 121.251 120.200 -0.082 0.000 2.222 434 E HA 0.396 4.745 4.350 -0.001 0.000 0.272 434 E C -2.481 173.945 176.600 -0.289 0.000 0.982 434 E CA -1.781 54.473 56.400 -0.244 0.000 0.842 434 E CB 0.658 30.255 29.700 -0.171 0.000 1.144 434 E HN 0.428 nan 8.360 nan 0.000 0.397 435 P HA 0.055 nan 4.420 nan 0.000 0.269 435 P C -0.055 177.139 177.300 -0.177 0.000 1.209 435 P CA 0.117 63.046 63.100 -0.286 0.000 0.776 435 P CB 0.642 32.147 31.700 -0.325 0.000 0.876 436 R N 1.250 121.673 120.500 -0.127 0.000 2.254 436 R HA 0.166 4.506 4.340 -0.001 0.000 0.195 436 R C 1.354 177.630 176.300 -0.041 0.000 0.957 436 R CA 0.142 56.194 56.100 -0.080 0.000 1.024 436 R CB 0.057 30.312 30.300 -0.074 0.000 0.952 436 R HN 0.552 nan 8.270 nan 0.000 0.484 437 G N 0.571 109.339 108.800 -0.053 0.000 2.588 437 G HA2 0.324 4.283 3.960 -0.001 0.000 0.281 437 G HA3 0.324 4.283 3.960 -0.001 0.000 0.281 437 G C -0.471 174.437 174.900 0.014 0.000 1.236 437 G CA -0.490 44.621 45.100 0.018 0.000 0.969 437 G HN -0.012 nan 8.290 nan 0.000 0.504 438 R N -0.568 119.970 120.500 0.063 0.000 2.686 438 R HA 0.473 4.813 4.340 -0.001 0.000 0.286 438 R C -0.141 176.122 176.300 -0.062 0.000 0.969 438 R CA -0.935 55.162 56.100 -0.005 0.000 0.898 438 R CB 1.336 31.621 30.300 -0.024 0.000 1.183 438 R HN 0.544 nan 8.270 nan 0.000 0.456 439 S N 1.197 116.863 115.700 -0.057 0.000 2.549 439 S HA 0.032 4.501 4.470 -0.001 0.000 0.286 439 S C 0.328 175.039 174.600 0.184 0.000 1.314 439 S CA -0.250 57.926 58.200 -0.040 0.000 1.062 439 S CB 0.205 63.393 63.200 -0.020 0.000 0.865 439 S HN 0.510 nan 8.310 nan 0.000 0.498 440 W N 4.450 125.841 121.300 0.152 0.000 3.180 440 W HA 0.170 4.830 4.660 -0.001 0.000 0.254 440 W C 1.477 178.136 176.519 0.232 0.000 1.318 440 W CA -0.432 57.103 57.345 0.317 0.000 1.608 440 W CB -1.036 28.657 29.460 0.387 0.000 1.124 440 W HN 0.625 nan 8.180 nan 0.000 0.694 441 L N -0.442 120.976 121.223 0.325 0.000 2.093 441 L HA -0.065 4.275 4.340 -0.001 0.000 0.208 441 L C 2.500 179.495 176.870 0.208 0.000 1.085 441 L CA 1.683 56.662 54.840 0.231 0.000 0.755 441 L CB -1.478 40.670 42.059 0.149 0.000 0.904 441 L HN 0.036 nan 8.230 nan 0.000 0.435 442 G N -0.298 108.628 108.800 0.210 0.000 2.440 442 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.218 442 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.218 442 G C 1.253 176.303 174.900 0.249 0.000 1.154 442 G CA 0.706 45.920 45.100 0.190 0.000 0.767 442 G HN 0.488 nan 8.290 nan 0.000 0.552 443 W N 1.329 122.689 121.300 0.099 0.000 2.354 443 W HA 0.061 4.721 4.660 -0.001 0.000 0.315 443 W C 2.157 178.722 176.519 0.076 0.000 1.206 443 W CA 1.153 58.543 57.345 0.075 0.000 1.290 443 W CB -0.675 28.822 29.460 0.061 0.000 1.152 443 W HN 0.131 nan 8.180 nan 0.000 0.489 444 L N 0.737 121.896 121.223 -0.107 0.000 2.313 444 L HA -0.079 4.261 4.340 -0.001 0.000 0.214 444 L C 2.160 178.978 176.870 -0.087 0.000 1.119 444 L CA 1.132 55.779 54.840 -0.323 0.000 0.809 444 L CB -0.791 41.136 42.059 -0.219 0.000 0.933 444 L HN -0.139 nan 8.230 nan 0.000 0.449 445 S N -0.258 115.458 115.700 0.027 0.000 2.603 445 S HA 0.141 4.610 4.470 -0.001 0.000 0.220 445 S C 1.582 176.204 174.600 0.038 0.000 0.967 445 S CA 0.702 58.927 58.200 0.042 0.000 0.920 445 S CB 0.343 63.588 63.200 0.074 0.000 0.773 445 S HN 0.648 nan 8.310 nan 0.000 0.529 446 G N 1.634 110.462 108.800 0.047 0.000 2.176 446 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.253 446 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.253 446 G C 0.618 175.570 174.900 0.087 0.000 0.979 446 G CA 0.467 45.605 45.100 0.062 0.000 0.641 446 G HN 0.551 nan 8.290 nan 0.000 0.530 447 E N 0.103 120.361 120.200 0.098 0.000 2.152 447 E HA 0.129 4.479 4.350 -0.001 0.000 0.192 447 E C 1.569 178.235 176.600 0.109 0.000 0.983 447 E CA 1.328 57.783 56.400 0.093 0.000 0.818 447 E CB 0.043 29.796 29.700 0.088 0.000 0.758 447 E HN 0.748 nan 8.360 nan 0.000 0.467 448 T N -2.418 112.228 114.554 0.153 0.000 2.907 448 T HA 0.273 4.622 4.350 -0.001 0.000 0.290 448 T C 0.494 175.321 174.700 0.212 0.000 1.066 448 T CA -0.932 61.260 62.100 0.154 0.000 1.012 448 T CB 1.847 70.800 68.868 0.141 0.000 1.184 448 T HN -0.261 nan 8.240 nan 0.000 0.522 449 E N -0.009 120.282 120.200 0.152 0.000 2.442 449 E HA 0.394 4.743 4.350 -0.001 0.000 0.195 449 E C 0.662 177.283 176.600 0.034 0.000 1.030 449 E CA 0.368 56.862 56.400 0.156 0.000 0.869 449 E CB 0.464 30.217 29.700 0.088 0.000 0.857 449 E HN 0.844 nan 8.360 nan 0.000 0.505 450 A N -0.457 122.283 122.820 -0.133 0.000 2.583 450 A HA 0.606 4.926 4.320 -0.001 0.000 0.292 450 A C -0.117 177.279 177.584 -0.314 0.000 1.045 450 A CA 0.000 51.682 52.037 -0.592 0.000 0.672 450 A CB 0.627 19.418 19.000 -0.349 0.000 1.283 450 A HN -0.038 nan 8.150 nan 0.000 0.419 451 A N 0.239 122.794 122.820 -0.442 0.000 2.218 451 A HA 0.439 4.759 4.320 -0.001 0.000 0.209 451 A C 0.742 178.046 177.584 -0.466 0.000 1.168 451 A CA 0.917 52.799 52.037 -0.257 0.000 0.804 451 A CB -0.284 18.656 19.000 -0.100 0.000 0.834 451 A HN 0.761 nan 8.150 nan 0.000 0.482 452 H N -1.069 118.014 119.070 0.022 0.000 2.931 452 H HA 0.509 5.064 4.556 -0.001 0.000 0.331 452 H C -1.219 174.134 175.328 0.042 0.000 1.273 452 H CA -0.270 55.832 56.048 0.088 0.000 1.171 452 H CB 1.635 31.540 29.762 0.239 0.000 1.898 452 H HN 0.463 nan 8.280 nan 0.000 0.562 453 D N -1.940 118.563 120.400 0.172 0.000 2.798 453 D HA 0.023 4.663 4.640 -0.001 0.000 0.308 453 D C 0.706 177.029 176.300 0.038 0.000 1.187 453 D CA -0.595 53.452 54.000 0.079 0.000 1.033 453 D CB 0.153 40.988 40.800 0.059 0.000 1.445 453 D HN 0.621 nan 8.370 nan 0.000 0.550 454 E N -0.697 119.519 120.200 0.027 0.000 2.409 454 E HA -0.126 4.223 4.350 -0.001 0.000 0.198 454 E C 0.172 176.777 176.600 0.009 0.000 1.024 454 E CA 0.677 57.088 56.400 0.019 0.000 0.861 454 E CB -0.372 29.355 29.700 0.045 0.000 0.788 454 E HN 0.260 nan 8.360 nan 0.000 0.521 455 N N 0.712 119.414 118.700 0.003 0.000 2.236 455 N HA 0.030 4.769 4.740 -0.001 0.000 0.196 455 N C -0.360 175.109 175.510 -0.069 0.000 1.114 455 N CA 0.216 53.254 53.050 -0.020 0.000 0.859 455 N CB 0.786 39.276 38.487 0.004 0.000 0.982 455 N HN 0.033 nan 8.380 nan 0.000 0.493 456 T N 1.264 115.784 114.554 -0.057 0.000 2.928 456 T HA 0.152 4.501 4.350 -0.001 0.000 0.305 456 T C 0.335 174.921 174.700 -0.191 0.000 1.035 456 T CA 0.221 62.274 62.100 -0.077 0.000 1.145 456 T CB 1.351 70.210 68.868 -0.015 0.000 0.963 456 T HN -0.233 nan 8.240 nan 0.000 0.545 457 V N 4.317 124.109 119.914 -0.202 0.000 2.448 457 V HA 0.516 4.636 4.120 -0.001 0.000 0.295 457 V C 0.129 176.098 176.094 -0.208 0.000 1.025 457 V CA -0.713 61.428 62.300 -0.266 0.000 0.859 457 V CB 1.984 33.571 31.823 -0.393 0.000 0.988 457 V HN 1.002 nan 8.190 nan 0.000 0.431 458 T N 3.309 117.725 114.554 -0.231 0.000 2.881 458 T HA 0.696 5.046 4.350 -0.001 0.000 0.290 458 T C 0.188 174.576 174.700 -0.521 0.000 1.000 458 T CA -0.488 61.386 62.100 -0.376 0.000 0.978 458 T CB 1.831 70.487 68.868 -0.354 0.000 0.997 458 T HN 0.924 nan 8.240 nan 0.000 0.443 459 G N 1.273 109.518 108.800 -0.925 0.000 2.489 459 G HA2 0.730 4.689 3.960 -0.001 0.000 0.327 459 G HA3 0.730 4.689 3.960 -0.001 0.000 0.327 459 G C -1.507 172.763 174.900 -1.049 0.000 1.189 459 G CA -0.734 43.639 45.100 -1.212 0.000 0.962 459 G HN 0.590 nan 8.290 nan 0.000 0.486 460 W N -0.002 121.188 121.300 -0.183 0.000 3.138 460 W HA 0.572 5.231 4.660 -0.001 0.000 0.331 460 W C -0.725 176.095 176.519 0.502 0.000 1.166 460 W CA -0.512 56.973 57.345 0.233 0.000 1.212 460 W CB 2.611 32.180 29.460 0.182 0.000 1.399 460 W HN 0.454 nan 8.180 nan 0.000 0.514 461 E N 2.572 123.278 120.200 0.843 0.000 2.354 461 E HA 0.544 4.893 4.350 -0.001 0.000 0.283 461 E C -2.443 174.494 176.600 0.561 0.000 0.938 461 E CA -0.632 56.181 56.400 0.689 0.000 0.777 461 E CB 2.761 32.887 29.700 0.710 0.000 1.222 461 E HN 0.460 nan 8.360 nan 0.000 0.423 462 L N 4.254 125.658 121.223 0.302 0.000 2.643 462 L HA 0.398 4.737 4.340 -0.001 0.000 0.257 462 L C -0.883 176.018 176.870 0.051 0.000 0.922 462 L CA -0.103 54.745 54.840 0.012 0.000 0.909 462 L CB 1.021 42.922 42.059 -0.264 0.000 1.424 462 L HN 0.597 nan 8.230 nan 0.000 0.422 463 F N 4.058 124.089 119.950 0.136 0.000 3.093 463 F HA -0.059 4.467 4.527 -0.001 0.000 0.287 463 F C 1.514 177.362 175.800 0.081 0.000 0.882 463 F CA 1.766 59.812 58.000 0.077 0.000 1.063 463 F CB -1.957 37.044 39.000 0.002 0.000 1.097 463 F HN 0.985 nan 8.300 nan 0.000 0.604 464 G N -1.418 107.538 108.800 0.260 0.000 2.179 464 G HA2 -0.349 3.610 3.960 -0.001 0.000 0.260 464 G HA3 -0.349 3.610 3.960 -0.001 0.000 0.260 464 G C 0.386 175.388 174.900 0.170 0.000 0.977 464 G CA 0.285 45.501 45.100 0.193 0.000 0.641 464 G HN 0.456 nan 8.290 nan 0.000 0.533 465 M N 0.180 119.885 119.600 0.175 0.000 2.314 465 M HA 0.641 5.121 4.480 -0.001 0.000 0.342 465 M C 0.702 177.083 176.300 0.135 0.000 1.171 465 M CA -0.073 55.309 55.300 0.136 0.000 1.098 465 M CB 1.210 33.871 32.600 0.103 0.000 1.559 465 M HN 0.241 nan 8.290 nan 0.000 0.459 466 R N 0.935 121.452 120.500 0.029 0.000 2.837 466 R HA 0.928 5.268 4.340 -0.001 0.000 0.271 466 R C -1.465 174.897 176.300 0.103 0.000 0.993 466 R CA -0.993 55.101 56.100 -0.010 0.000 0.931 466 R CB 2.105 32.006 30.300 -0.665 0.000 1.206 466 R HN 0.793 nan 8.270 nan 0.000 0.474 467 A N 1.233 124.251 122.820 0.330 0.000 2.594 467 A HA 0.778 5.097 4.320 -0.001 0.000 0.295 467 A C -1.781 176.133 177.584 0.549 0.000 1.071 467 A CA -0.583 51.697 52.037 0.406 0.000 0.685 467 A CB 1.755 20.882 19.000 0.213 0.000 1.285 467 A HN 0.572 nan 8.150 nan 0.000 0.405 468 I N 0.206 121.042 120.570 0.442 0.000 2.607 468 I HA 0.693 4.863 4.170 -0.001 0.000 0.290 468 I C -0.621 175.637 176.117 0.236 0.000 1.129 468 I CA -0.210 61.288 61.300 0.330 0.000 1.042 468 I CB 1.879 40.053 38.000 0.289 0.000 1.242 468 I HN 0.758 nan 8.210 nan 0.000 0.421 469 R N 5.461 126.073 120.500 0.187 0.000 2.628 469 R HA 0.609 4.948 4.340 -0.001 0.000 0.288 469 R C -1.575 174.687 176.300 -0.064 0.000 0.980 469 R CA -0.622 55.526 56.100 0.080 0.000 0.891 469 R CB 1.592 31.933 30.300 0.067 0.000 1.188 469 R HN 0.741 nan 8.270 nan 0.000 0.450 470 Q N 3.238 123.013 119.800 -0.042 0.000 2.290 470 Q HA 0.409 4.748 4.340 -0.001 0.000 0.269 470 Q C 0.028 176.003 176.000 -0.041 0.000 1.016 470 Q CA 0.250 55.994 55.803 -0.099 0.000 0.754 470 Q CB 1.789 30.484 28.738 -0.072 0.000 1.247 470 Q HN 0.920 nan 8.270 nan 0.000 0.451 471 G N 3.854 112.558 108.800 -0.160 0.000 2.591 471 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.298 471 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.298 471 G C 0.084 174.866 174.900 -0.196 0.000 1.195 471 G CA 0.460 45.481 45.100 -0.131 0.000 0.989 471 G HN 0.726 nan 8.290 nan 0.000 0.551 472 D N 0.524 120.846 120.400 -0.131 0.000 2.363 472 D HA 0.233 4.872 4.640 -0.001 0.000 0.214 472 D C 0.064 176.211 176.300 -0.256 0.000 1.093 472 D CA -0.073 53.801 54.000 -0.209 0.000 0.837 472 D CB 0.037 40.699 40.800 -0.230 0.000 0.948 472 D HN 0.339 nan 8.370 nan 0.000 0.507 473 W N 1.781 123.047 121.300 -0.057 0.000 2.351 473 W HA 0.345 5.005 4.660 -0.001 0.000 0.311 473 W C 0.687 177.196 176.519 -0.016 0.000 1.168 473 W CA -0.697 56.635 57.345 -0.022 0.000 1.200 473 W CB 1.278 30.723 29.460 -0.025 0.000 1.221 473 W HN -0.432 nan 8.180 nan 0.000 0.519 474 K N 2.564 123.130 120.400 0.278 0.000 2.535 474 K HA 0.734 5.054 4.320 -0.001 0.000 0.250 474 K C -1.149 175.604 176.600 0.256 0.000 0.948 474 K CA -0.662 55.749 56.287 0.207 0.000 0.796 474 K CB 1.341 33.918 32.500 0.128 0.000 1.216 474 K HN 0.514 nan 8.250 nan 0.000 0.432 475 A N 3.073 126.026 122.820 0.222 0.000 2.324 475 A HA 0.696 5.016 4.320 -0.001 0.000 0.330 475 A C -1.055 176.802 177.584 0.455 0.000 1.165 475 A CA -0.636 51.567 52.037 0.278 0.000 0.813 475 A CB 1.434 20.495 19.000 0.102 0.000 1.197 475 A HN 0.398 nan 8.150 nan 0.000 0.484 476 V N 1.622 121.825 119.914 0.481 0.000 2.656 476 V HA 0.406 4.526 4.120 -0.001 0.000 0.307 476 V C -1.406 174.772 176.094 0.140 0.000 1.051 476 V CA -0.402 62.089 62.300 0.318 0.000 0.893 476 V CB 1.712 33.694 31.823 0.264 0.000 0.999 476 V HN 0.814 nan 8.190 nan 0.000 0.426 477 Y N 5.272 125.375 120.300 -0.327 0.000 2.332 477 Y HA 0.680 5.230 4.550 -0.001 0.000 0.326 477 Y C -0.956 174.771 175.900 -0.289 0.000 0.978 477 Y CA -0.716 57.038 58.100 -0.577 0.000 1.205 477 Y CB 1.324 38.973 38.460 -1.352 0.000 1.131 477 Y HN 0.506 nan 8.280 nan 0.000 0.462 478 L N 9.380 130.383 121.223 -0.368 0.000 2.319 478 L HA 0.525 4.864 4.340 -0.001 0.000 0.281 478 L C -2.463 174.232 176.870 -0.291 0.000 1.005 478 L CA -2.001 52.734 54.840 -0.175 0.000 0.828 478 L CB 1.690 43.723 42.059 -0.044 0.000 1.227 478 L HN 0.489 nan 8.230 nan 0.000 0.415 479 P HA 0.229 nan 4.420 nan 0.000 0.277 479 P C -0.508 176.755 177.300 -0.061 0.000 1.271 479 P CA -0.494 62.538 63.100 -0.114 0.000 0.795 479 P CB 0.694 32.430 31.700 0.059 0.000 1.101 480 A N 1.672 124.464 122.820 -0.047 0.000 2.425 480 A HA 0.347 4.666 4.320 -0.001 0.000 0.242 480 A C -1.458 176.126 177.584 -0.000 0.000 1.077 480 A CA -0.528 51.494 52.037 -0.024 0.000 0.781 480 A CB -1.212 17.775 19.000 -0.021 0.000 1.020 480 A HN 0.525 nan 8.150 nan 0.000 0.494 481 P HA 0.301 nan 4.420 nan 0.000 0.254 481 P C 0.553 177.867 177.300 0.024 0.000 1.620 481 P CA 0.518 63.620 63.100 0.003 0.000 1.050 481 P CB 0.080 31.779 31.700 -0.003 0.000 1.539 482 V N -0.703 119.241 119.914 0.050 0.000 2.878 482 V HA 0.419 4.539 4.120 -0.001 0.000 0.250 482 V C 1.128 177.249 176.094 0.045 0.000 1.075 482 V CA 1.623 63.993 62.300 0.117 0.000 1.096 482 V CB -0.238 31.736 31.823 0.251 0.000 0.724 482 V HN 0.342 nan 8.190 nan 0.000 0.467 483 G N -1.663 107.126 108.800 -0.018 0.000 2.619 483 G HA2 0.487 4.446 3.960 -0.001 0.000 0.305 483 G HA3 0.487 4.446 3.960 -0.001 0.000 0.305 483 G C -2.650 172.184 174.900 -0.109 0.000 1.330 483 G CA 0.465 45.526 45.100 -0.066 0.000 0.789 483 G HN -0.098 nan 8.290 nan 0.000 0.487 484 P HA 0.173 nan 4.420 nan 0.000 0.245 484 P C 0.986 178.159 177.300 -0.211 0.000 1.212 484 P CA 1.307 64.328 63.100 -0.132 0.000 0.774 484 P CB 0.546 32.188 31.700 -0.097 0.000 0.999 485 A N -1.612 120.979 122.820 -0.381 0.000 2.860 485 A HA -0.141 4.178 4.320 -0.001 0.000 0.267 485 A C 0.441 177.704 177.584 -0.535 0.000 1.421 485 A CA 1.452 53.181 52.037 -0.513 0.000 0.831 485 A CB -2.686 16.208 19.000 -0.176 0.000 1.041 485 A HN 0.432 nan 8.150 nan 0.000 0.623 486 T N -2.548 111.655 114.554 -0.585 0.000 2.843 486 T HA 0.513 4.862 4.350 -0.001 0.000 0.302 486 T C -0.914 173.667 174.700 -0.198 0.000 1.232 486 T CA -0.343 61.613 62.100 -0.240 0.000 1.009 486 T CB 0.672 69.526 68.868 -0.023 0.000 1.254 486 T HN 0.690 nan 8.240 nan 0.000 0.504 487 W N 2.664 124.005 121.300 0.069 0.000 2.251 487 W HA 0.397 5.057 4.660 -0.001 0.000 0.327 487 W C 0.774 177.270 176.519 -0.038 0.000 1.361 487 W CA -0.260 57.116 57.345 0.053 0.000 1.234 487 W CB 0.438 29.928 29.460 0.049 0.000 1.212 487 W HN 0.495 nan 8.180 nan 0.000 0.557 488 Q N 2.605 122.531 119.800 0.210 0.000 2.306 488 Q HA 0.629 4.968 4.340 -0.001 0.000 0.265 488 Q C -1.316 174.589 176.000 -0.159 0.000 1.022 488 Q CA -1.373 54.425 55.803 -0.009 0.000 0.853 488 Q CB 2.359 31.115 28.738 0.030 0.000 1.327 488 Q HN 0.333 nan 8.270 nan 0.000 0.449 489 L N 2.119 123.064 121.223 -0.464 0.000 2.381 489 L HA 0.518 4.858 4.340 -0.001 0.000 0.274 489 L C -2.007 174.498 176.870 -0.608 0.000 0.988 489 L CA -0.378 54.266 54.840 -0.326 0.000 0.824 489 L CB 1.149 43.156 42.059 -0.087 0.000 1.263 489 L HN 0.502 nan 8.230 nan 0.000 0.410 490 Y N 2.266 122.695 120.300 0.215 0.000 2.425 490 Y HA 0.416 4.966 4.550 -0.001 0.000 0.344 490 Y C -0.479 175.450 175.900 0.048 0.000 0.969 490 Y CA -1.067 57.113 58.100 0.133 0.000 1.052 490 Y CB 1.648 40.142 38.460 0.057 0.000 1.215 490 Y HN 0.526 nan 8.280 nan 0.000 0.451 491 D N 3.323 123.701 120.400 -0.036 0.000 2.441 491 D HA 0.190 4.829 4.640 -0.001 0.000 0.221 491 D C 0.501 176.641 176.300 -0.267 0.000 1.156 491 D CA 0.127 53.790 54.000 -0.562 0.000 0.896 491 D CB 0.721 41.024 40.800 -0.829 0.000 1.028 491 D HN 0.684 nan 8.370 nan 0.000 0.509 492 L N 2.713 123.800 121.223 -0.226 0.000 2.362 492 L HA -0.062 4.278 4.340 -0.001 0.000 0.219 492 L C 2.290 179.082 176.870 -0.130 0.000 1.134 492 L CA 0.748 55.519 54.840 -0.116 0.000 0.807 492 L CB -0.193 41.819 42.059 -0.077 0.000 0.927 492 L HN 0.403 nan 8.230 nan 0.000 0.447 493 A N -0.167 122.531 122.820 -0.204 0.000 1.968 493 A HA -0.123 4.197 4.320 -0.001 0.000 0.217 493 A C 2.522 180.034 177.584 -0.121 0.000 1.169 493 A CA 1.215 53.160 52.037 -0.153 0.000 0.638 493 A CB -0.247 18.648 19.000 -0.175 0.000 0.812 493 A HN 0.274 nan 8.150 nan 0.000 0.446 494 R N -1.356 119.063 120.500 -0.134 0.000 2.254 494 R HA 0.114 4.453 4.340 -0.001 0.000 0.193 494 R C -0.289 175.997 176.300 -0.024 0.000 0.929 494 R CA 0.748 56.801 56.100 -0.077 0.000 1.038 494 R CB -0.138 30.111 30.300 -0.086 0.000 1.009 494 R HN 0.685 nan 8.270 nan 0.000 0.512 495 D N -0.715 119.675 120.400 -0.015 0.000 2.621 495 D HA 0.318 4.957 4.640 -0.001 0.000 0.274 495 D C -2.326 173.968 176.300 -0.010 0.000 1.215 495 D CA -2.000 52.027 54.000 0.044 0.000 0.810 495 D CB 1.401 42.297 40.800 0.159 0.000 1.248 495 D HN -0.032 nan 8.370 nan 0.000 0.517 496 P HA 0.071 nan 4.420 nan 0.000 0.222 496 P C 1.388 178.637 177.300 -0.085 0.000 1.147 496 P CA 0.639 63.705 63.100 -0.057 0.000 0.790 496 P CB 0.325 31.997 31.700 -0.048 0.000 0.780 497 G N -0.379 108.381 108.800 -0.067 0.000 2.920 497 G HA2 -0.099 3.860 3.960 -0.001 0.000 0.208 497 G HA3 -0.099 3.860 3.960 -0.001 0.000 0.208 497 G C 0.153 174.966 174.900 -0.146 0.000 1.159 497 G CA -0.161 44.898 45.100 -0.069 0.000 0.784 497 G HN 0.225 nan 8.290 nan 0.000 0.535 498 E N -1.066 118.952 120.200 -0.304 0.000 2.252 498 E HA -0.200 4.149 4.350 -0.001 0.000 0.218 498 E C 0.953 177.183 176.600 -0.617 0.000 1.253 498 E CA 0.063 55.955 56.400 -0.846 0.000 0.705 498 E CB -1.235 27.855 29.700 -1.017 0.000 1.172 498 E HN 0.586 nan 8.360 nan 0.000 0.369 499 I N -0.288 120.148 120.570 -0.224 0.000 2.810 499 I HA -0.028 4.141 4.170 -0.001 0.000 0.262 499 I C 0.970 177.029 176.117 -0.096 0.000 1.131 499 I CA 0.240 61.407 61.300 -0.222 0.000 1.453 499 I CB 0.163 37.863 38.000 -0.500 0.000 1.161 499 I HN 0.216 nan 8.210 nan 0.000 0.444 500 H N 2.088 121.341 119.070 0.304 0.000 2.787 500 H HA 0.191 4.747 4.556 -0.001 0.000 0.275 500 H C -0.900 174.575 175.328 0.245 0.000 1.183 500 H CA -0.637 55.553 56.048 0.237 0.000 1.290 500 H CB 0.319 30.164 29.762 0.138 0.000 1.438 500 H HN 0.054 nan 8.280 nan 0.000 0.487 501 D N 3.836 124.369 120.400 0.222 0.000 2.358 501 D HA 0.009 4.648 4.640 -0.001 0.000 0.258 501 D C 0.689 176.969 176.300 -0.034 0.000 1.223 501 D CA -0.166 53.781 54.000 -0.088 0.000 0.886 501 D CB 0.730 41.506 40.800 -0.040 0.000 1.120 501 D HN 0.485 nan 8.370 nan 0.000 0.482 502 L N 3.385 124.558 121.223 -0.083 0.000 2.700 502 L HA 0.246 4.585 4.340 -0.001 0.000 0.234 502 L C 2.128 178.984 176.870 -0.025 0.000 1.156 502 L CA -0.167 54.680 54.840 0.013 0.000 0.946 502 L CB -0.052 42.084 42.059 0.128 0.000 1.216 502 L HN 0.449 nan 8.230 nan 0.000 0.493 503 A N 0.488 123.272 122.820 -0.060 0.000 1.940 503 A HA -0.226 4.093 4.320 -0.001 0.000 0.219 503 A C 1.829 179.396 177.584 -0.030 0.000 1.176 503 A CA 2.059 54.069 52.037 -0.044 0.000 0.631 503 A CB -0.222 18.766 19.000 -0.019 0.000 0.814 503 A HN 0.328 nan 8.150 nan 0.000 0.446 504 D N -0.815 119.576 120.400 -0.015 0.000 2.213 504 D HA -0.037 4.602 4.640 -0.001 0.000 0.205 504 D C 2.332 178.624 176.300 -0.012 0.000 0.961 504 D CA 1.483 55.478 54.000 -0.009 0.000 0.853 504 D CB -0.109 40.692 40.800 0.001 0.000 0.967 504 D HN 0.583 nan 8.370 nan 0.000 0.496 505 S N -0.637 115.059 115.700 -0.007 0.000 2.503 505 S HA 0.044 4.514 4.470 -0.001 0.000 0.217 505 S C 0.966 175.554 174.600 -0.021 0.000 0.999 505 S CA 0.059 58.257 58.200 -0.003 0.000 0.914 505 S CB 0.238 63.448 63.200 0.017 0.000 0.782 505 S HN 0.026 nan 8.310 nan 0.000 0.520 506 Q N 1.204 120.978 119.800 -0.044 0.000 2.831 506 Q HA 0.278 4.617 4.340 -0.001 0.000 0.366 506 Q C -2.296 173.625 176.000 -0.131 0.000 0.899 506 Q CA -1.486 54.256 55.803 -0.102 0.000 0.987 506 Q CB 1.481 30.126 28.738 -0.156 0.000 1.382 506 Q HN 0.390 nan 8.270 nan 0.000 0.403 507 P HA -0.103 nan 4.420 nan 0.000 0.221 507 P C 1.313 178.535 177.300 -0.130 0.000 1.150 507 P CA 1.014 64.055 63.100 -0.098 0.000 0.800 507 P CB 0.239 31.900 31.700 -0.065 0.000 0.787 508 G N 0.832 109.548 108.800 -0.141 0.000 2.402 508 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.216 508 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.216 508 G C 1.769 176.543 174.900 -0.210 0.000 1.162 508 G CA 1.012 46.020 45.100 -0.153 0.000 0.777 508 G HN 0.242 nan 8.290 nan 0.000 0.539 509 K N 0.224 120.450 120.400 -0.290 0.000 2.057 509 K HA 0.031 4.350 4.320 -0.001 0.000 0.206 509 K C 2.287 178.697 176.600 -0.316 0.000 1.050 509 K CA 0.873 56.916 56.287 -0.407 0.000 0.935 509 K CB -0.707 31.349 32.500 -0.740 0.000 0.715 509 K HN 0.218 nan 8.250 nan 0.000 0.439 510 L N 0.554 121.623 121.223 -0.257 0.000 2.042 510 L HA -0.016 4.324 4.340 -0.001 0.000 0.210 510 L C 2.081 178.806 176.870 -0.242 0.000 1.076 510 L CA 2.257 56.963 54.840 -0.223 0.000 0.749 510 L CB -1.072 40.889 42.059 -0.163 0.000 0.893 510 L HN 0.237 nan 8.230 nan 0.000 0.432 511 A N -0.985 121.716 122.820 -0.199 0.000 1.969 511 A HA -0.193 4.126 4.320 -0.001 0.000 0.218 511 A C 2.139 179.600 177.584 -0.205 0.000 1.169 511 A CA 1.553 53.480 52.037 -0.183 0.000 0.635 511 A CB -0.566 18.352 19.000 -0.136 0.000 0.810 511 A HN 0.607 nan 8.150 nan 0.000 0.445 512 E N -0.120 119.952 120.200 -0.213 0.000 2.085 512 E HA -0.171 4.179 4.350 -0.001 0.000 0.194 512 E C 1.868 178.312 176.600 -0.260 0.000 0.994 512 E CA 1.320 57.574 56.400 -0.243 0.000 0.801 512 E CB -0.278 29.305 29.700 -0.194 0.000 0.743 512 E HN 0.633 nan 8.360 nan 0.000 0.453 513 L N 0.503 121.622 121.223 -0.173 0.000 2.156 513 L HA -0.120 4.219 4.340 -0.001 0.000 0.208 513 L C 2.363 179.117 176.870 -0.193 0.000 1.095 513 L CA 0.588 55.374 54.840 -0.090 0.000 0.770 513 L CB -0.262 41.724 42.059 -0.121 0.000 0.914 513 L HN 0.169 nan 8.230 nan 0.000 0.439 514 I N -0.352 120.014 120.570 -0.339 0.000 2.264 514 I HA -0.249 3.921 4.170 -0.001 0.000 0.248 514 I C 2.508 178.580 176.117 -0.076 0.000 1.111 514 I CA 0.979 62.100 61.300 -0.299 0.000 1.382 514 I CB -0.230 37.558 38.000 -0.353 0.000 1.060 514 I HN 0.260 nan 8.210 nan 0.000 0.418 515 E N 0.029 120.134 120.200 -0.159 0.000 2.106 515 E HA -0.191 4.159 4.350 -0.001 0.000 0.192 515 E C 2.138 178.667 176.600 -0.118 0.000 0.984 515 E CA 1.150 57.456 56.400 -0.158 0.000 0.806 515 E CB -0.434 29.118 29.700 -0.246 0.000 0.750 515 E HN 0.559 nan 8.360 nan 0.000 0.458 516 H N -0.349 118.718 119.070 -0.005 0.000 2.387 516 H HA -0.132 4.423 4.556 -0.001 0.000 0.299 516 H C 1.876 177.261 175.328 0.094 0.000 1.090 516 H CA 1.084 57.145 56.048 0.021 0.000 1.332 516 H CB -0.554 29.212 29.762 0.006 0.000 1.386 516 H HN 0.405 nan 8.280 nan 0.000 0.516 517 W N 2.578 123.918 121.300 0.067 0.000 2.338 517 W HA -0.207 4.452 4.660 -0.001 0.000 0.304 517 W C 1.622 178.230 176.519 0.148 0.000 1.212 517 W CA 1.292 58.708 57.345 0.119 0.000 1.264 517 W CB -0.066 29.415 29.460 0.035 0.000 1.142 517 W HN 0.121 nan 8.180 nan 0.000 0.512 518 K N 0.131 120.502 120.400 -0.047 0.000 2.097 518 K HA -0.206 4.113 4.320 -0.001 0.000 0.205 518 K C 2.241 178.718 176.600 -0.205 0.000 1.050 518 K CA 1.509 57.675 56.287 -0.201 0.000 0.938 518 K CB -0.346 32.132 32.500 -0.038 0.000 0.718 518 K HN 0.032 nan 8.250 nan 0.000 0.442 519 R N 0.103 120.548 120.500 -0.092 0.000 2.081 519 R HA -0.189 4.150 4.340 -0.001 0.000 0.235 519 R C 2.253 178.490 176.300 -0.106 0.000 1.131 519 R CA 1.338 57.394 56.100 -0.074 0.000 0.960 519 R CB -0.366 29.941 30.300 0.011 0.000 0.856 519 R HN 0.225 nan 8.270 nan 0.000 0.436 520 Y N 0.286 120.455 120.300 -0.219 0.000 2.181 520 Y HA -0.206 4.344 4.550 -0.001 0.000 0.288 520 Y C 1.842 177.491 175.900 -0.418 0.000 1.146 520 Y CA 1.669 59.604 58.100 -0.275 0.000 1.164 520 Y CB -0.433 37.892 38.460 -0.226 0.000 0.982 520 Y HN -0.128 nan 8.280 nan 0.000 0.515 521 V N -0.480 119.003 119.914 -0.719 0.000 2.287 521 V HA -0.335 3.785 4.120 -0.001 0.000 0.248 521 V C 2.703 178.484 176.094 -0.521 0.000 1.053 521 V CA 2.243 64.071 62.300 -0.785 0.000 1.027 521 V CB -1.214 30.151 31.823 -0.764 0.000 0.646 521 V HN 0.558 nan 8.190 nan 0.000 0.447 522 S N -0.699 114.781 115.700 -0.367 0.000 2.356 522 S HA -0.224 4.245 4.470 -0.001 0.000 0.223 522 S C 1.949 176.405 174.600 -0.240 0.000 1.032 522 S CA 1.906 59.955 58.200 -0.251 0.000 1.005 522 S CB -0.253 62.842 63.200 -0.175 0.000 0.867 522 S HN 0.733 nan 8.310 nan 0.000 0.449 523 E N -0.163 119.884 120.200 -0.255 0.000 2.152 523 E HA -0.064 4.285 4.350 -0.001 0.000 0.192 523 E C 1.839 178.286 176.600 -0.256 0.000 0.983 523 E CA 1.483 57.758 56.400 -0.208 0.000 0.818 523 E CB -0.066 29.539 29.700 -0.158 0.000 0.758 523 E HN 0.799 nan 8.360 nan 0.000 0.467 524 T N -3.710 110.598 114.554 -0.410 0.000 3.054 524 T HA 0.311 4.660 4.350 -0.001 0.000 0.255 524 T C 1.320 175.828 174.700 -0.321 0.000 1.035 524 T CA 0.224 62.085 62.100 -0.399 0.000 0.941 524 T CB 0.908 69.407 68.868 -0.616 0.000 1.026 524 T HN 0.194 nan 8.240 nan 0.000 0.533 525 G N 1.386 110.000 108.800 -0.309 0.000 2.182 525 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.248 525 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.248 525 G C -0.005 174.804 174.900 -0.152 0.000 1.042 525 G CA -0.128 44.862 45.100 -0.182 0.000 0.775 525 G HN 0.699 nan 8.290 nan 0.000 0.501 526 V N 0.067 119.740 119.914 -0.401 0.000 2.540 526 V HA 0.348 4.468 4.120 -0.001 0.000 0.297 526 V C 1.190 177.201 176.094 -0.137 0.000 1.024 526 V CA 0.264 62.344 62.300 -0.366 0.000 1.105 526 V CB 1.181 32.627 31.823 -0.628 0.000 0.938 526 V HN 0.339 nan 8.190 nan 0.000 0.482 527 V N 0.000 119.916 119.914 0.004 0.000 2.409 527 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 527 V CA 0.000 62.242 62.300 -0.098 0.000 1.235 527 V CB 0.000 31.594 31.823 -0.382 0.000 1.184 527 V HN 0.000 nan 8.190 nan 0.000 0.556