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 1tcm_1_B DATA FIRST_RESID 1 DATA SEQUENCE APDTSVSNKQ NFSTDVIYQI FTDRFSDGNP ANNPTGAAFD GTcTNLRLYc DATA SEQUENCE GGDWQGIINK INDGYLTGMG VTAIWISQPV ENIYSIINYS GVNNTAYHGY DATA SEQUENCE WARDFKKTNP AYGTIADFQN LIAAAHAKNI KVIIDFAPNH TSPASSDQPS DATA SEQUENCE FAENGRLYDN GTLLGGYTND TQNLFHHNGG TDFSTTENGI YKNLYDLADL DATA SEQUENCE NHNNSTVDVY LKDAIKMWLD LGIDGIRMDA VKHMPFGWQK SFMAAVNNYK DATA SEQUENCE PVFTFGEWFL GVNEVSPENH KFANESGMSL LDFRFAQKVR QVFRDNTDNM DATA SEQUENCE YGLKAMLEGS AADYAQVDDQ VTFIDNHDME RFHASNANRR KLEQALAFTL DATA SEQUENCE TSRGVPAIYY GTEQYMSGGT DPDNRARIPS FSTSTTAYQV IQKLAPLRKC DATA SEQUENCE NPAIAYGSTQ ERWINNDVLI YERKFGSNVA VVAVNRNLNA PASISGLVTS DATA SEQUENCE LPQGSYNDVL GGLLNGNTLS VGSGGAASNF TLAAGGTAVW QYTAATATPT DATA SEQUENCE IGHVGPMMAK PGVTITIDGR GFGSSKGTVY FGTTAVSGAD ITSWEDTQIK DATA SEQUENCE VKIPAVAGGN YNIKVANAAG TASNVYDNFE VLSGDQVSVR FVVNNATTAL DATA SEQUENCE GQNVYLTGSV SELGNADPAK AIGPMYNQVV YQYPNWYYDV SVPAGKTIEF DATA SEQUENCE KFLKKQGSTV TWEGGSNHTF TAPSSGTATI NVNWQP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.561 177.584 -0.039 0.000 1.274 1 A CA 0.000 52.019 52.037 -0.030 0.000 0.836 1 A CB 0.000 18.974 19.000 -0.044 0.000 0.831 2 P HA 0.218 nan 4.420 nan 0.000 0.273 2 P C -0.044 177.210 177.300 -0.077 0.000 1.250 2 P CA 0.240 63.301 63.100 -0.065 0.000 0.793 2 P CB 0.413 32.073 31.700 -0.067 0.000 1.011 3 D N -0.949 119.399 120.400 -0.086 0.000 2.178 3 D HA -0.130 4.517 4.640 0.012 0.000 0.202 3 D C 1.007 177.246 176.300 -0.103 0.000 0.974 3 D CA 1.703 55.653 54.000 -0.083 0.000 0.841 3 D CB -1.546 39.212 40.800 -0.070 0.000 0.953 3 D HN 0.401 nan 8.370 nan 0.000 0.478 4 T N -1.799 112.689 114.554 -0.110 0.000 3.118 4 T HA -0.001 4.356 4.350 0.012 0.000 0.260 4 T C 1.159 175.771 174.700 -0.147 0.000 1.139 4 T CA 0.185 62.202 62.100 -0.139 0.000 1.085 4 T CB -0.398 68.391 68.868 -0.131 0.000 0.934 4 T HN 0.235 nan 8.240 nan 0.000 0.518 5 S N 0.639 116.262 115.700 -0.128 0.000 2.573 5 S HA 0.130 4.607 4.470 0.012 0.000 0.277 5 S C 1.311 175.815 174.600 -0.161 0.000 1.346 5 S CA -0.547 57.578 58.200 -0.126 0.000 1.034 5 S CB 1.250 64.389 63.200 -0.101 0.000 0.879 5 S HN 0.144 nan 8.310 nan 0.000 0.528 6 V N 3.753 123.573 119.914 -0.157 0.000 3.444 6 V HA 0.013 4.141 4.120 0.012 0.000 0.271 6 V C 2.048 178.008 176.094 -0.223 0.000 1.188 6 V CA 1.914 64.103 62.300 -0.185 0.000 1.168 6 V CB -0.833 30.907 31.823 -0.139 0.000 0.810 6 V HN 1.026 nan 8.190 nan 0.000 0.500 7 S N -0.313 115.277 115.700 -0.184 0.000 2.548 7 S HA 0.081 4.558 4.470 0.012 0.000 0.215 7 S C 0.983 175.515 174.600 -0.114 0.000 0.976 7 S CA 0.028 58.127 58.200 -0.168 0.000 0.908 7 S CB -0.451 62.672 63.200 -0.128 0.000 0.781 7 S HN 0.574 nan 8.310 nan 0.000 0.519 8 N N 2.373 121.002 118.700 -0.118 0.000 2.448 8 N HA 0.222 4.969 4.740 0.012 0.000 0.250 8 N C 0.122 175.606 175.510 -0.043 0.000 1.136 8 N CA 0.010 53.014 53.050 -0.077 0.000 0.953 8 N CB 0.652 39.078 38.487 -0.102 0.000 1.251 8 N HN 0.390 nan 8.380 nan 0.000 0.502 9 K N 1.933 122.363 120.400 0.050 0.000 2.444 9 K HA 0.058 4.386 4.320 0.012 0.000 0.193 9 K C 0.069 176.846 176.600 0.295 0.000 1.024 9 K CA 0.439 56.837 56.287 0.185 0.000 1.077 9 K CB 0.496 33.097 32.500 0.169 0.000 0.833 9 K HN 0.464 nan 8.250 nan 0.000 0.517 10 Q N 0.395 120.330 119.800 0.225 0.000 2.157 10 Q HA 0.158 4.505 4.340 0.012 0.000 0.229 10 Q C -0.964 175.217 176.000 0.301 0.000 0.827 10 Q CA -0.264 55.720 55.803 0.302 0.000 1.055 10 Q CB 0.673 29.553 28.738 0.237 0.000 1.157 10 Q HN 0.023 nan 8.270 nan 0.000 0.482 11 N N -0.549 118.242 118.700 0.152 0.000 2.616 11 N HA 0.217 4.964 4.740 0.012 0.000 0.281 11 N C -1.468 173.889 175.510 -0.254 0.000 1.145 11 N CA -0.240 52.723 53.050 -0.146 0.000 0.919 11 N CB 0.374 38.745 38.487 -0.193 0.000 1.509 11 N HN -0.051 nan 8.380 nan 0.000 0.537 12 F N 0.931 120.462 119.950 -0.697 0.000 2.682 12 F HA 0.291 4.825 4.527 0.013 0.000 0.308 12 F C 1.694 177.171 175.800 -0.537 0.000 1.093 12 F CA -0.018 57.552 58.000 -0.718 0.000 1.244 12 F CB 0.561 38.800 39.000 -1.269 0.000 1.052 12 F HN 0.440 nan 8.300 nan 0.000 0.573 13 S N -0.642 114.849 115.700 -0.348 0.000 2.584 13 S HA -0.123 4.355 4.470 0.012 0.000 0.240 13 S C 1.776 176.159 174.600 -0.361 0.000 0.975 13 S CA 1.428 59.448 58.200 -0.300 0.000 0.949 13 S CB -0.771 62.296 63.200 -0.222 0.000 0.761 13 S HN 0.517 nan 8.310 nan 0.000 0.536 14 T N -2.150 112.192 114.554 -0.354 0.000 3.043 14 T HA 0.287 4.644 4.350 0.012 0.000 0.272 14 T C -0.394 174.130 174.700 -0.294 0.000 0.990 14 T CA -0.533 61.360 62.100 -0.345 0.000 0.897 14 T CB 0.094 68.770 68.868 -0.321 0.000 1.111 14 T HN 0.110 nan 8.240 nan 0.000 0.529 15 D N 0.420 120.642 120.400 -0.296 0.000 2.384 15 D HA 0.617 5.264 4.640 0.012 0.000 0.250 15 D C -1.075 175.141 176.300 -0.139 0.000 1.029 15 D CA -0.642 53.208 54.000 -0.251 0.000 0.990 15 D CB 2.218 42.782 40.800 -0.392 0.000 1.175 15 D HN -0.007 nan 8.370 nan 0.000 0.532 16 V N 2.324 122.193 119.914 -0.075 0.000 2.327 16 V HA 0.199 4.326 4.120 0.012 0.000 0.272 16 V C -0.096 176.057 176.094 0.098 0.000 1.019 16 V CA -0.750 61.545 62.300 -0.007 0.000 0.814 16 V CB 0.534 32.339 31.823 -0.029 0.000 1.040 16 V HN 0.470 nan 8.190 nan 0.000 0.440 17 I N 3.477 124.142 120.570 0.160 0.000 2.872 17 I HA -0.009 4.168 4.170 0.012 0.000 0.291 17 I C -0.243 176.081 176.117 0.345 0.000 1.216 17 I CA 0.587 62.062 61.300 0.291 0.000 1.424 17 I CB 0.089 38.280 38.000 0.319 0.000 1.351 17 I HN 0.657 nan 8.210 nan 0.000 0.592 18 Y N 5.151 125.598 120.300 0.245 0.000 2.609 18 Y HA 0.175 4.732 4.550 0.013 0.000 0.350 18 Y C 0.277 176.293 175.900 0.194 0.000 1.050 18 Y CA -0.564 57.650 58.100 0.190 0.000 1.290 18 Y CB 0.480 39.003 38.460 0.105 0.000 1.094 18 Y HN 0.545 nan 8.280 nan 0.000 0.583 19 Q N 6.030 125.830 119.800 0.001 0.000 2.244 19 Q HA 0.235 4.582 4.340 0.012 0.000 0.278 19 Q C -0.904 175.025 176.000 -0.117 0.000 1.093 19 Q CA 0.600 56.276 55.803 -0.211 0.000 0.916 19 Q CB 0.305 28.778 28.738 -0.441 0.000 1.159 19 Q HN 0.720 nan 8.270 nan 0.000 0.384 20 I N 3.343 123.819 120.570 -0.156 0.000 2.474 20 I HA 0.261 4.438 4.170 0.012 0.000 0.294 20 I C -0.638 175.393 176.117 -0.143 0.000 1.005 20 I CA -0.880 60.341 61.300 -0.131 0.000 1.113 20 I CB 1.250 39.136 38.000 -0.191 0.000 1.289 20 I HN 0.471 nan 8.210 nan 0.000 0.436 21 F N 4.132 123.844 119.950 -0.398 0.000 2.351 21 F HA 0.195 4.730 4.527 0.012 0.000 0.362 21 F C 1.726 177.381 175.800 -0.241 0.000 1.131 21 F CA -0.102 57.755 58.000 -0.238 0.000 1.187 21 F CB 0.742 39.680 39.000 -0.103 0.000 1.434 21 F HN 0.548 nan 8.300 nan 0.000 0.553 22 T N 1.075 115.514 114.554 -0.192 0.000 2.771 22 T HA -0.369 3.988 4.350 0.012 0.000 0.262 22 T C 1.696 176.358 174.700 -0.064 0.000 1.027 22 T CA 2.371 64.339 62.100 -0.220 0.000 1.159 22 T CB -0.214 68.261 68.868 -0.656 0.000 0.844 22 T HN 0.612 nan 8.240 nan 0.000 0.478 23 D N -0.186 120.249 120.400 0.058 0.000 2.213 23 D HA -0.031 4.616 4.640 0.012 0.000 0.205 23 D C 1.958 178.353 176.300 0.157 0.000 0.961 23 D CA 0.518 54.642 54.000 0.206 0.000 0.853 23 D CB 0.133 41.160 40.800 0.378 0.000 0.967 23 D HN -0.020 nan 8.370 nan 0.000 0.496 24 R N -0.484 120.079 120.500 0.104 0.000 2.335 24 R HA 0.160 4.508 4.340 0.012 0.000 0.223 24 R C 0.493 176.812 176.300 0.031 0.000 0.940 24 R CA -0.067 56.048 56.100 0.026 0.000 1.086 24 R CB -0.765 29.523 30.300 -0.019 0.000 1.073 24 R HN 0.303 nan 8.270 nan 0.000 0.504 25 F N -1.083 118.831 119.950 -0.060 0.000 2.453 25 F HA 0.345 4.879 4.527 0.012 0.000 0.239 25 F C 0.422 176.338 175.800 0.193 0.000 1.013 25 F CA 0.141 58.178 58.000 0.062 0.000 1.025 25 F CB 0.236 39.270 39.000 0.057 0.000 1.214 25 F HN -0.256 nan 8.300 nan 0.000 0.681 26 S N -0.450 115.446 115.700 0.327 0.000 2.549 26 S HA 0.296 4.773 4.470 0.012 0.000 0.280 26 S C -1.875 172.818 174.600 0.156 0.000 1.109 26 S CA -0.605 57.704 58.200 0.182 0.000 0.905 26 S CB 1.324 64.600 63.200 0.126 0.000 1.081 26 S HN 0.252 nan 8.310 nan 0.000 0.477 27 D N 2.296 122.762 120.400 0.111 0.000 2.493 27 D HA 0.427 5.074 4.640 0.012 0.000 0.235 27 D C 0.692 177.032 176.300 0.067 0.000 1.117 27 D CA -0.279 53.781 54.000 0.099 0.000 0.930 27 D CB 0.520 41.388 40.800 0.113 0.000 1.010 27 D HN 0.676 nan 8.370 nan 0.000 0.514 28 G N 2.501 111.341 108.800 0.066 0.000 3.371 28 G HA2 0.019 3.987 3.960 0.012 0.000 0.248 28 G HA3 0.019 3.987 3.960 0.012 0.000 0.248 28 G C 0.487 175.411 174.900 0.040 0.000 1.161 28 G CA -0.418 44.711 45.100 0.048 0.000 0.796 28 G HN 0.391 nan 8.290 nan 0.000 0.539 29 N N -0.434 118.286 118.700 0.032 0.000 3.560 29 N HA 0.175 4.922 4.740 0.012 0.000 0.183 29 N C -2.579 172.925 175.510 -0.011 0.000 1.495 29 N CA -0.890 52.167 53.050 0.012 0.000 0.793 29 N CB 1.238 39.735 38.487 0.016 0.000 1.681 29 N HN -0.210 nan 8.380 nan 0.000 0.667 30 P HA 0.048 nan 4.420 nan 0.000 0.231 30 P C 0.905 178.145 177.300 -0.099 0.000 1.158 30 P CA 0.659 63.730 63.100 -0.048 0.000 0.763 30 P CB 0.253 31.939 31.700 -0.024 0.000 0.805 31 A N 0.663 123.440 122.820 -0.072 0.000 2.119 31 A HA -0.140 4.187 4.320 0.012 0.000 0.217 31 A C 1.713 179.234 177.584 -0.106 0.000 1.153 31 A CA 1.409 53.397 52.037 -0.082 0.000 0.692 31 A CB -1.143 17.826 19.000 -0.050 0.000 0.799 31 A HN 0.331 nan 8.150 nan 0.000 0.458 32 N N -0.906 117.728 118.700 -0.111 0.000 2.254 32 N HA 0.029 4.776 4.740 0.012 0.000 0.190 32 N C -0.154 175.238 175.510 -0.196 0.000 1.107 32 N CA -0.278 52.692 53.050 -0.134 0.000 0.869 32 N CB -0.464 37.959 38.487 -0.107 0.000 0.983 32 N HN 0.150 nan 8.380 nan 0.000 0.487 33 N N 1.854 120.415 118.700 -0.231 0.000 2.283 33 N HA 0.094 4.841 4.740 0.012 0.000 0.236 33 N C -2.373 172.888 175.510 -0.415 0.000 1.252 33 N CA -0.471 52.362 53.050 -0.361 0.000 0.856 33 N CB -0.010 38.116 38.487 -0.602 0.000 1.099 33 N HN 0.213 nan 8.380 nan 0.000 0.444 34 P HA 0.186 nan 4.420 nan 0.000 0.282 34 P C -0.092 177.058 177.300 -0.250 0.000 1.249 34 P CA -0.379 62.553 63.100 -0.281 0.000 0.806 34 P CB 0.817 32.386 31.700 -0.218 0.000 0.984 35 T N -1.382 113.098 114.554 -0.123 0.000 2.889 35 T HA 0.671 5.029 4.350 0.012 0.000 0.278 35 T C 0.691 175.426 174.700 0.059 0.000 0.995 35 T CA 0.147 62.211 62.100 -0.061 0.000 0.966 35 T CB 0.713 69.531 68.868 -0.083 0.000 1.237 35 T HN 0.678 nan 8.240 nan 0.000 0.591 36 G N 0.718 109.557 108.800 0.066 0.000 2.574 36 G HA2 -0.035 3.933 3.960 0.012 0.000 0.282 36 G HA3 -0.035 3.933 3.960 0.012 0.000 0.282 36 G C 1.060 176.038 174.900 0.131 0.000 1.257 36 G CA 0.630 45.779 45.100 0.082 0.000 0.956 36 G HN 1.820 nan 8.290 nan 0.000 0.560 37 A N -0.323 122.562 122.820 0.107 0.000 2.235 37 A HA 0.543 4.871 4.320 0.012 0.000 0.208 37 A C 2.449 180.121 177.584 0.147 0.000 1.172 37 A CA 1.897 54.000 52.037 0.109 0.000 0.786 37 A CB -0.508 18.537 19.000 0.075 0.000 0.804 37 A HN 2.215 nan 8.150 nan 0.000 0.479 38 A N -1.598 121.342 122.820 0.200 0.000 2.278 38 A HA 0.509 4.836 4.320 0.012 0.000 0.212 38 A C 0.135 177.961 177.584 0.404 0.000 1.213 38 A CA 0.006 52.214 52.037 0.286 0.000 0.840 38 A CB -0.331 18.860 19.000 0.319 0.000 0.866 38 A HN 0.442 nan 8.150 nan 0.000 0.489 39 F N -0.659 119.368 119.950 0.129 0.000 2.576 39 F HA 0.610 5.144 4.527 0.012 0.000 0.313 39 F C -1.618 174.226 175.800 0.074 0.000 1.078 39 F CA -1.532 56.536 58.000 0.114 0.000 0.921 39 F CB 1.984 41.027 39.000 0.071 0.000 1.232 39 F HN -0.002 nan 8.300 nan 0.000 0.459 40 D N 2.456 122.251 120.400 -1.008 0.000 2.616 40 D HA 0.320 4.968 4.640 0.012 0.000 0.238 40 D C 0.647 176.355 176.300 -0.987 0.000 1.354 40 D CA -0.012 53.558 54.000 -0.716 0.000 0.970 40 D CB 1.575 42.170 40.800 -0.342 0.000 1.369 40 D HN 0.671 nan 8.370 nan 0.000 0.585 41 G N 1.975 110.405 108.800 -0.618 0.000 2.418 41 G HA2 -0.252 3.715 3.960 0.012 0.000 0.217 41 G HA3 -0.252 3.715 3.960 0.012 0.000 0.217 41 G C 1.356 176.152 174.900 -0.173 0.000 1.158 41 G CA 1.645 46.581 45.100 -0.272 0.000 0.771 41 G HN 0.581 nan 8.290 nan 0.000 0.545 42 T N -3.159 111.306 114.554 -0.149 0.000 2.867 42 T HA -0.116 4.242 4.350 0.012 0.000 0.268 42 T C 1.577 176.209 174.700 -0.114 0.000 1.057 42 T CA 1.140 63.180 62.100 -0.099 0.000 1.136 42 T CB -0.694 68.129 68.868 -0.075 0.000 0.874 42 T HN 0.910 nan 8.240 nan 0.000 0.466 43 c N 1.362 119.862 118.600 -0.166 0.000 4.497 43 c HA -0.199 4.378 4.570 0.012 0.000 0.292 43 c C 1.582 175.604 174.090 -0.113 0.000 1.366 43 c CA 0.841 57.080 56.329 -0.151 0.000 1.987 43 c CB -2.704 39.736 42.510 -0.115 0.000 1.241 43 c HN 0.776 nan 8.230 nan 0.000 0.788 44 T N -0.216 114.277 114.554 -0.102 0.000 3.014 44 T HA -0.031 4.326 4.350 0.012 0.000 0.263 44 T C 0.826 175.482 174.700 -0.072 0.000 1.078 44 T CA 1.348 63.404 62.100 -0.074 0.000 1.135 44 T CB -0.182 68.651 68.868 -0.058 0.000 0.895 44 T HN 0.726 nan 8.240 nan 0.000 0.480 45 N N 2.158 120.804 118.700 -0.089 0.000 2.801 45 N HA 0.166 4.913 4.740 0.012 0.000 0.235 45 N C 0.004 175.443 175.510 -0.119 0.000 1.069 45 N CA -0.157 52.846 53.050 -0.078 0.000 0.946 45 N CB 0.370 38.821 38.487 -0.060 0.000 1.212 45 N HN 0.308 nan 8.380 nan 0.000 0.509 46 L N 1.985 123.132 121.223 -0.128 0.000 2.855 46 L HA 0.135 4.483 4.340 0.012 0.000 0.257 46 L C 1.601 178.303 176.870 -0.279 0.000 1.206 46 L CA 0.292 54.998 54.840 -0.222 0.000 1.042 46 L CB -0.298 41.656 42.059 -0.174 0.000 1.321 46 L HN 0.229 nan 8.230 nan 0.000 0.417 47 R N -1.033 119.374 120.500 -0.154 0.000 2.531 47 R HA 0.288 4.636 4.340 0.012 0.000 0.316 47 R C -0.211 176.120 176.300 0.052 0.000 0.955 47 R CA -0.321 55.791 56.100 0.020 0.000 1.120 47 R CB 0.796 31.160 30.300 0.107 0.000 1.361 47 R HN 0.123 nan 8.270 nan 0.000 0.534 48 L N -0.297 120.886 121.223 -0.066 0.000 2.298 48 L HA 0.376 4.723 4.340 0.012 0.000 0.268 48 L C -0.348 176.490 176.870 -0.055 0.000 1.010 48 L CA -1.201 53.630 54.840 -0.014 0.000 0.812 48 L CB 0.269 42.327 42.059 -0.002 0.000 1.331 48 L HN -0.071 nan 8.230 nan 0.000 0.450 49 Y N -0.342 120.021 120.300 0.104 0.000 2.544 49 Y HA 0.013 4.570 4.550 0.013 0.000 0.330 49 Y C 1.218 177.150 175.900 0.054 0.000 1.136 49 Y CA 0.374 58.572 58.100 0.163 0.000 1.417 49 Y CB 0.649 39.274 38.460 0.274 0.000 1.229 49 Y HN 0.488 nan 8.280 nan 0.000 0.532 50 c N 1.162 119.885 118.600 0.206 0.000 2.780 50 c HA 0.326 4.903 4.570 0.012 0.000 0.267 50 c C 1.799 176.032 174.090 0.239 0.000 1.266 50 c CA 0.728 57.089 56.329 0.052 0.000 1.709 50 c CB -0.663 41.833 42.510 -0.024 0.000 1.975 50 c HN 1.214 nan 8.230 nan 0.000 0.582 51 G N 0.128 109.170 108.800 0.403 0.000 2.612 51 G HA2 -0.061 3.907 3.960 0.012 0.000 0.200 51 G HA3 -0.061 3.907 3.960 0.012 0.000 0.200 51 G C 0.517 175.552 174.900 0.224 0.000 1.053 51 G CA -0.089 45.226 45.100 0.357 0.000 0.707 51 G HN 0.781 nan 8.290 nan 0.000 0.497 52 G N 1.645 110.567 108.800 0.203 0.000 2.109 52 G HA2 0.415 4.383 3.960 0.012 0.000 0.249 52 G HA3 0.415 4.383 3.960 0.012 0.000 0.249 52 G C 0.176 175.147 174.900 0.118 0.000 1.126 52 G CA 1.399 46.599 45.100 0.167 0.000 0.923 52 G HN 1.116 nan 8.290 nan 0.000 0.439 53 D N 0.653 121.104 120.400 0.085 0.000 2.784 53 D HA 0.409 5.056 4.640 0.012 0.000 0.256 53 D C 0.655 177.009 176.300 0.090 0.000 1.129 53 D CA -0.887 53.106 54.000 -0.011 0.000 1.102 53 D CB 0.381 41.176 40.800 -0.009 0.000 1.330 53 D HN 0.297 nan 8.370 nan 0.000 0.626 54 W N -0.672 120.673 121.300 0.074 0.000 2.481 54 W HA 0.049 4.716 4.660 0.012 0.000 0.293 54 W C 2.221 178.766 176.519 0.044 0.000 1.201 54 W CA 0.672 58.047 57.345 0.050 0.000 1.328 54 W CB -1.034 28.486 29.460 0.099 0.000 1.112 54 W HN 0.534 nan 8.180 nan 0.000 0.546 55 Q N 0.621 120.584 119.800 0.271 0.000 2.077 55 Q HA -0.130 4.218 4.340 0.012 0.000 0.206 55 Q C 2.356 178.433 176.000 0.128 0.000 0.989 55 Q CA 2.833 58.735 55.803 0.165 0.000 0.853 55 Q CB -1.080 27.730 28.738 0.120 0.000 0.907 55 Q HN 0.153 nan 8.270 nan 0.000 0.418 56 G N 0.342 109.223 108.800 0.137 0.000 2.442 56 G HA2 -0.237 3.730 3.960 0.012 0.000 0.219 56 G HA3 -0.237 3.730 3.960 0.012 0.000 0.219 56 G C 1.469 176.474 174.900 0.176 0.000 1.141 56 G CA 0.956 46.134 45.100 0.130 0.000 0.763 56 G HN 0.430 nan 8.290 nan 0.000 0.554 57 I N 0.469 121.158 120.570 0.198 0.000 2.179 57 I HA -0.133 4.045 4.170 0.012 0.000 0.242 57 I C 2.692 178.862 176.117 0.089 0.000 1.088 57 I CA 0.773 62.161 61.300 0.147 0.000 1.357 57 I CB -0.126 37.916 38.000 0.071 0.000 1.051 57 I HN 0.151 nan 8.210 nan 0.000 0.409 58 I N 0.864 121.478 120.570 0.073 0.000 2.145 58 I HA -0.385 3.792 4.170 0.012 0.000 0.244 58 I C 2.177 178.314 176.117 0.033 0.000 1.075 58 I CA 1.478 62.800 61.300 0.036 0.000 1.332 58 I CB -0.703 37.321 38.000 0.040 0.000 1.033 58 I HN 0.365 nan 8.210 nan 0.000 0.410 59 N N 1.002 119.724 118.700 0.037 0.000 2.069 59 N HA -0.170 4.577 4.740 0.012 0.000 0.191 59 N C 1.752 177.261 175.510 -0.001 0.000 1.031 59 N CA 1.192 54.245 53.050 0.006 0.000 0.852 59 N CB -0.359 38.117 38.487 -0.019 0.000 1.018 59 N HN 0.266 nan 8.380 nan 0.000 0.423 60 K N 0.927 121.347 120.400 0.033 0.000 2.209 60 K HA 0.029 4.357 4.320 0.012 0.000 0.204 60 K C 1.986 178.649 176.600 0.105 0.000 1.048 60 K CA 0.469 56.807 56.287 0.085 0.000 0.940 60 K CB -0.240 32.456 32.500 0.328 0.000 0.729 60 K HN 0.338 nan 8.250 nan 0.000 0.451 61 I N 0.435 121.039 120.570 0.058 0.000 2.876 61 I HA -0.162 4.015 4.170 0.012 0.000 0.264 61 I C 1.238 177.365 176.117 0.017 0.000 1.204 61 I CA 0.825 62.140 61.300 0.024 0.000 1.485 61 I CB -0.134 37.862 38.000 -0.006 0.000 1.103 61 I HN 0.219 nan 8.210 nan 0.000 0.446 62 N N 0.431 119.141 118.700 0.017 0.000 2.356 62 N HA -0.089 4.659 4.740 0.012 0.000 0.178 62 N C 0.871 176.389 175.510 0.012 0.000 1.075 62 N CA 0.393 53.449 53.050 0.010 0.000 0.889 62 N CB 0.312 38.802 38.487 0.005 0.000 0.999 62 N HN 0.348 nan 8.380 nan 0.000 0.464 63 D N -0.381 120.029 120.400 0.017 0.000 2.349 63 D HA 0.096 4.743 4.640 0.012 0.000 0.214 63 D C 1.311 177.639 176.300 0.047 0.000 1.063 63 D CA 0.470 54.480 54.000 0.017 0.000 0.847 63 D CB 0.165 40.956 40.800 -0.015 0.000 0.933 63 D HN 0.216 nan 8.370 nan 0.000 0.513 64 G N 0.106 108.943 108.800 0.063 0.000 2.234 64 G HA2 -0.428 3.540 3.960 0.012 0.000 0.235 64 G HA3 -0.428 3.540 3.960 0.012 0.000 0.235 64 G C 0.779 175.758 174.900 0.132 0.000 0.997 64 G CA 0.285 45.430 45.100 0.076 0.000 0.623 64 G HN 0.326 nan 8.290 nan 0.000 0.514 65 Y N 1.304 121.641 120.300 0.061 0.000 2.053 65 Y HA -0.011 4.546 4.550 0.012 0.000 0.277 65 Y C 2.763 178.768 175.900 0.175 0.000 1.159 65 Y CA 2.569 60.758 58.100 0.148 0.000 1.125 65 Y CB -0.429 38.115 38.460 0.140 0.000 0.969 65 Y HN 0.320 nan 8.280 nan 0.000 0.492 66 L N -0.763 120.517 121.223 0.096 0.000 1.973 66 L HA -0.230 4.118 4.340 0.012 0.000 0.208 66 L C 2.685 179.467 176.870 -0.147 0.000 1.073 66 L CA 2.211 56.989 54.840 -0.103 0.000 0.746 66 L CB -1.351 40.672 42.059 -0.059 0.000 0.891 66 L HN 0.403 nan 8.230 nan 0.000 0.433 67 T N -2.604 111.909 114.554 -0.068 0.000 2.720 67 T HA -0.154 4.203 4.350 0.012 0.000 0.268 67 T C 1.730 176.384 174.700 -0.076 0.000 1.037 67 T CA 1.208 63.267 62.100 -0.069 0.000 1.144 67 T CB -1.076 67.771 68.868 -0.035 0.000 0.864 67 T HN 0.410 nan 8.240 nan 0.000 0.444 68 G N -0.026 108.755 108.800 -0.032 0.000 2.807 68 G HA2 0.131 4.098 3.960 0.012 0.000 0.207 68 G HA3 0.131 4.098 3.960 0.012 0.000 0.207 68 G C 1.276 176.146 174.900 -0.050 0.000 1.151 68 G CA 0.214 45.322 45.100 0.012 0.000 0.800 68 G HN 0.528 nan 8.290 nan 0.000 0.523 69 M N -0.681 118.770 119.600 -0.248 0.000 2.461 69 M HA 0.253 4.741 4.480 0.012 0.000 0.255 69 M C 1.796 177.860 176.300 -0.395 0.000 1.137 69 M CA 1.049 55.988 55.300 -0.602 0.000 1.086 69 M CB 0.618 32.771 32.600 -0.745 0.000 1.356 69 M HN 0.368 nan 8.290 nan 0.000 0.487 70 G N 0.383 109.040 108.800 -0.238 0.000 2.254 70 G HA2 -0.206 3.761 3.960 0.012 0.000 0.225 70 G HA3 -0.206 3.761 3.960 0.012 0.000 0.225 70 G C 0.096 174.908 174.900 -0.147 0.000 1.003 70 G CA 0.040 45.035 45.100 -0.174 0.000 0.622 70 G HN 0.268 nan 8.290 nan 0.000 0.507 71 V N 2.724 122.543 119.914 -0.159 0.000 2.539 71 V HA 0.345 4.473 4.120 0.012 0.000 0.300 71 V C 1.715 177.759 176.094 -0.083 0.000 1.019 71 V CA 1.915 64.156 62.300 -0.098 0.000 1.160 71 V CB 1.102 32.844 31.823 -0.134 0.000 0.901 71 V HN 0.948 nan 8.190 nan 0.000 0.481 72 T N 2.019 116.533 114.554 -0.066 0.000 3.248 72 T HA 0.695 5.053 4.350 0.012 0.000 0.271 72 T C -0.074 174.586 174.700 -0.067 0.000 1.005 72 T CA 0.258 62.306 62.100 -0.088 0.000 0.902 72 T CB 0.207 68.992 68.868 -0.138 0.000 1.102 72 T HN 1.286 nan 8.240 nan 0.000 0.548 73 A N 1.470 124.305 122.820 0.025 0.000 2.573 73 A HA 0.557 4.884 4.320 0.012 0.000 0.312 73 A C -0.930 176.792 177.584 0.229 0.000 1.041 73 A CA -1.166 50.945 52.037 0.123 0.000 0.880 73 A CB 0.233 19.334 19.000 0.169 0.000 1.249 73 A HN 0.737 nan 8.150 nan 0.000 0.385 74 I N -0.895 119.807 120.570 0.221 0.000 2.392 74 I HA 0.835 5.012 4.170 0.012 0.000 0.295 74 I C -0.463 175.872 176.117 0.362 0.000 0.985 74 I CA -0.677 60.778 61.300 0.259 0.000 1.221 74 I CB 1.544 39.617 38.000 0.122 0.000 1.366 74 I HN 0.736 nan 8.210 nan 0.000 0.467 75 W N 9.128 130.538 121.300 0.184 0.000 2.336 75 W HA 0.706 5.373 4.660 0.012 0.000 0.315 75 W C -1.153 175.428 176.519 0.103 0.000 1.016 75 W CA -1.803 55.647 57.345 0.175 0.000 1.318 75 W CB 0.638 30.250 29.460 0.254 0.000 1.247 75 W HN 0.609 nan 8.180 nan 0.000 0.414 76 I N 2.182 122.930 120.570 0.295 0.000 2.947 76 I HA 0.602 4.779 4.170 0.012 0.000 0.314 76 I C 0.490 176.614 176.117 0.011 0.000 1.028 76 I CA -1.006 60.321 61.300 0.044 0.000 1.077 76 I CB 1.256 39.281 38.000 0.041 0.000 1.274 76 I HN 0.154 nan 8.210 nan 0.000 0.485 77 S N 1.298 116.892 115.700 -0.175 0.000 2.566 77 S HA -0.043 4.434 4.470 0.012 0.000 0.280 77 S C 0.151 174.731 174.600 -0.034 0.000 1.343 77 S CA -0.201 57.846 58.200 -0.256 0.000 1.036 77 S CB 0.150 63.107 63.200 -0.405 0.000 0.866 77 S HN 0.619 nan 8.310 nan 0.000 0.526 78 Q N 2.647 122.392 119.800 -0.091 0.000 2.264 78 Q HA -0.020 4.327 4.340 0.012 0.000 0.296 78 Q C -1.638 174.403 176.000 0.069 0.000 1.103 78 Q CA -0.999 54.770 55.803 -0.056 0.000 0.967 78 Q CB 0.451 29.094 28.738 -0.158 0.000 1.090 78 Q HN 0.356 nan 8.270 nan 0.000 0.379 79 P HA -0.055 nan 4.420 nan 0.000 0.242 79 P C 0.008 177.346 177.300 0.063 0.000 1.197 79 P CA 0.329 63.527 63.100 0.163 0.000 0.765 79 P CB -0.142 31.319 31.700 -0.398 0.000 0.936 80 V N -2.743 117.108 119.914 -0.104 0.000 3.083 80 V HA 0.253 4.381 4.120 0.012 0.000 0.306 80 V C 0.568 176.598 176.094 -0.106 0.000 1.077 80 V CA -1.231 61.058 62.300 -0.018 0.000 1.073 80 V CB 0.323 32.040 31.823 -0.178 0.000 1.081 80 V HN -0.074 nan 8.190 nan 0.000 0.474 81 E N 2.348 122.508 120.200 -0.068 0.000 2.415 81 E HA 0.098 4.456 4.350 0.012 0.000 0.260 81 E C -0.162 176.275 176.600 -0.271 0.000 1.016 81 E CA 0.081 56.395 56.400 -0.144 0.000 0.924 81 E CB 0.213 29.886 29.700 -0.044 0.000 0.961 81 E HN 0.838 nan 8.360 nan 0.000 0.459 82 N N 2.724 121.197 118.700 -0.378 0.000 2.530 82 N HA 0.271 5.018 4.740 0.012 0.000 0.283 82 N C -0.058 175.129 175.510 -0.539 0.000 1.238 82 N CA -0.788 52.044 53.050 -0.364 0.000 0.971 82 N CB 0.809 39.102 38.487 -0.324 0.000 1.195 82 N HN 0.402 nan 8.380 nan 0.000 0.583 83 I N -1.081 119.310 120.570 -0.298 0.000 2.836 83 I HA 0.048 4.225 4.170 0.012 0.000 0.285 83 I C -0.226 175.663 176.117 -0.380 0.000 1.174 83 I CA 0.226 61.353 61.300 -0.289 0.000 1.405 83 I CB 0.046 38.014 38.000 -0.053 0.000 1.385 83 I HN 0.512 nan 8.210 nan 0.000 0.594 84 Y N 2.033 122.346 120.300 0.021 0.000 2.555 84 Y HA 0.365 4.923 4.550 0.013 0.000 0.259 84 Y C 0.714 176.633 175.900 0.033 0.000 1.179 84 Y CA -0.328 57.786 58.100 0.024 0.000 1.230 84 Y CB -0.214 38.232 38.460 -0.024 0.000 1.146 84 Y HN 0.537 nan 8.280 nan 0.000 0.526 85 S N 1.247 117.011 115.700 0.108 0.000 2.489 85 S HA 0.347 4.825 4.470 0.012 0.000 0.277 85 S C 0.050 174.676 174.600 0.044 0.000 1.230 85 S CA -0.494 57.727 58.200 0.036 0.000 1.053 85 S CB 0.274 63.426 63.200 -0.081 0.000 0.955 85 S HN 0.166 nan 8.310 nan 0.000 0.488 86 I N 4.265 124.858 120.570 0.038 0.000 2.329 86 I HA 0.167 4.344 4.170 0.012 0.000 0.295 86 I C 0.089 176.177 176.117 -0.049 0.000 1.109 86 I CA 0.167 61.495 61.300 0.046 0.000 1.297 86 I CB 0.039 38.076 38.000 0.062 0.000 1.433 86 I HN 0.460 nan 8.210 nan 0.000 0.509 87 I N 5.990 126.511 120.570 -0.082 0.000 2.396 87 I HA 0.031 4.208 4.170 0.012 0.000 0.289 87 I C 0.433 176.377 176.117 -0.289 0.000 1.056 87 I CA -0.075 61.043 61.300 -0.304 0.000 1.365 87 I CB 0.706 38.432 38.000 -0.457 0.000 1.407 87 I HN 0.592 nan 8.210 nan 0.000 0.509 88 N N 6.200 124.737 118.700 -0.270 0.000 2.420 88 N HA 0.166 4.913 4.740 0.012 0.000 0.249 88 N C -1.459 173.954 175.510 -0.162 0.000 1.033 88 N CA -0.300 52.667 53.050 -0.137 0.000 0.944 88 N CB 0.441 38.907 38.487 -0.036 0.000 1.113 88 N HN 0.246 nan 8.380 nan 0.000 0.502 89 Y N 3.147 123.509 120.300 0.103 0.000 2.402 89 Y HA 0.307 4.865 4.550 0.013 0.000 0.332 89 Y C 0.638 176.572 175.900 0.056 0.000 0.960 89 Y CA -0.986 57.166 58.100 0.087 0.000 1.228 89 Y CB 1.132 39.644 38.460 0.087 0.000 1.120 89 Y HN 0.634 nan 8.280 nan 0.000 0.491 90 S N 2.573 118.402 115.700 0.215 0.000 3.559 90 S HA -0.211 4.267 4.470 0.012 0.000 0.369 90 S C 1.248 175.904 174.600 0.094 0.000 0.987 90 S CA 1.507 59.780 58.200 0.122 0.000 1.187 90 S CB -1.281 61.975 63.200 0.094 0.000 0.914 90 S HN 1.540 nan 8.310 nan 0.000 0.480 91 G N -2.095 106.756 108.800 0.085 0.000 2.349 91 G HA2 -0.233 3.734 3.960 0.012 0.000 0.213 91 G HA3 -0.233 3.734 3.960 0.012 0.000 0.213 91 G C 0.227 175.167 174.900 0.067 0.000 1.044 91 G CA -0.017 45.121 45.100 0.064 0.000 0.633 91 G HN 1.999 nan 8.290 nan 0.000 0.506 92 V N -0.602 119.368 119.914 0.093 0.000 2.612 92 V HA 0.848 4.976 4.120 0.012 0.000 0.301 92 V C -0.065 176.089 176.094 0.100 0.000 1.046 92 V CA -1.443 60.913 62.300 0.093 0.000 0.946 92 V CB 1.668 33.554 31.823 0.105 0.000 1.003 92 V HN 0.209 nan 8.190 nan 0.000 0.459 93 N N 3.304 122.053 118.700 0.082 0.000 2.499 93 N HA 0.406 5.153 4.740 0.012 0.000 0.281 93 N C -0.656 174.930 175.510 0.127 0.000 1.098 93 N CA -0.111 52.985 53.050 0.077 0.000 0.979 93 N CB 0.544 39.068 38.487 0.062 0.000 1.121 93 N HN 0.876 nan 8.380 nan 0.000 0.466 94 N N 0.029 118.822 118.700 0.155 0.000 2.346 94 N HA 0.349 5.096 4.740 0.012 0.000 0.289 94 N C -0.806 174.861 175.510 0.261 0.000 1.027 94 N CA -0.422 52.788 53.050 0.267 0.000 0.864 94 N CB 1.814 40.584 38.487 0.472 0.000 1.370 94 N HN 0.536 nan 8.380 nan 0.000 0.481 95 T N -1.845 112.810 114.554 0.168 0.000 2.952 95 T HA 0.542 4.900 4.350 0.012 0.000 0.286 95 T C 0.592 175.109 174.700 -0.305 0.000 1.024 95 T CA -0.799 61.310 62.100 0.015 0.000 1.029 95 T CB 1.818 70.624 68.868 -0.104 0.000 1.094 95 T HN 0.366 nan 8.240 nan 0.000 0.515 96 A N 0.984 123.498 122.820 -0.509 0.000 2.840 96 A HA 0.303 4.631 4.320 0.012 0.000 0.269 96 A C 1.185 178.014 177.584 -1.258 0.000 1.439 96 A CA -0.552 50.798 52.037 -1.144 0.000 1.083 96 A CB -1.600 17.057 19.000 -0.573 0.000 1.019 96 A HN 0.971 nan 8.150 nan 0.000 0.607 97 Y N -0.101 119.521 120.300 -1.129 0.000 2.298 97 Y HA -0.358 4.200 4.550 0.013 0.000 0.287 97 Y C 1.824 177.518 175.900 -0.343 0.000 1.164 97 Y CA 1.935 59.541 58.100 -0.824 0.000 1.229 97 Y CB -1.284 36.888 38.460 -0.481 0.000 0.977 97 Y HN 0.702 nan 8.280 nan 0.000 0.538 98 H N -1.249 117.135 119.070 -1.144 0.000 2.428 98 H HA 0.265 4.828 4.556 0.013 0.000 0.296 98 H C 1.964 176.768 175.328 -0.875 0.000 1.062 98 H CA 0.458 55.916 56.048 -0.982 0.000 1.350 98 H CB -0.772 28.401 29.762 -0.982 0.000 1.403 98 H HN 0.378 nan 8.280 nan 0.000 0.533 99 G N -0.276 107.976 108.800 -0.914 0.000 2.182 99 G HA2 -0.323 3.645 3.960 0.012 0.000 0.248 99 G HA3 -0.323 3.645 3.960 0.012 0.000 0.248 99 G C 0.011 174.654 174.900 -0.427 0.000 1.042 99 G CA 0.486 45.253 45.100 -0.556 0.000 0.775 99 G HN 0.504 nan 8.290 nan 0.000 0.501 100 Y N -1.785 118.475 120.300 -0.066 0.000 2.462 100 Y HA 0.350 4.908 4.550 0.013 0.000 0.261 100 Y C 1.030 177.141 175.900 0.352 0.000 1.146 100 Y CA -0.857 57.332 58.100 0.149 0.000 1.283 100 Y CB 0.372 38.965 38.460 0.222 0.000 1.090 100 Y HN 0.432 nan 8.280 nan 0.000 0.526 101 W N 1.781 123.183 121.300 0.170 0.000 2.060 101 W HA 0.690 5.358 4.660 0.012 0.000 0.347 101 W C 0.361 176.818 176.519 -0.104 0.000 0.831 101 W CA -2.045 55.347 57.345 0.079 0.000 1.590 101 W CB -0.835 28.660 29.460 0.057 0.000 1.737 101 W HN -0.138 nan 8.180 nan 0.000 0.329 102 A N 2.456 125.298 122.820 0.036 0.000 2.475 102 A HA 0.414 4.741 4.320 0.012 0.000 0.239 102 A C 1.401 178.918 177.584 -0.112 0.000 1.087 102 A CA 0.558 52.446 52.037 -0.248 0.000 0.779 102 A CB 0.496 19.090 19.000 -0.677 0.000 1.036 102 A HN 0.711 nan 8.150 nan 0.000 0.506 103 R N -0.966 119.446 120.500 -0.148 0.000 2.599 103 R HA 0.206 4.553 4.340 0.012 0.000 0.248 103 R C -1.154 175.269 176.300 0.204 0.000 0.970 103 R CA 0.494 56.631 56.100 0.062 0.000 1.188 103 R CB 0.813 31.106 30.300 -0.013 0.000 1.736 103 R HN 0.557 nan 8.270 nan 0.000 0.504 104 D N -0.059 120.385 120.400 0.073 0.000 2.251 104 D HA 0.119 4.766 4.640 0.012 0.000 0.210 104 D C -0.775 175.660 176.300 0.224 0.000 1.304 104 D CA -0.521 53.648 54.000 0.282 0.000 0.912 104 D CB 0.489 41.440 40.800 0.252 0.000 1.553 104 D HN 0.028 nan 8.370 nan 0.000 0.526 105 F N 1.902 122.087 119.950 0.392 0.000 2.771 105 F HA 0.153 4.688 4.527 0.012 0.000 0.299 105 F C 2.074 178.138 175.800 0.439 0.000 1.177 105 F CA 0.535 58.772 58.000 0.396 0.000 1.450 105 F CB 0.187 39.414 39.000 0.379 0.000 1.114 105 F HN 0.160 nan 8.300 nan 0.000 0.587 106 K N -0.375 120.288 120.400 0.438 0.000 2.373 106 K HA 0.162 4.490 4.320 0.012 0.000 0.200 106 K C 0.561 177.238 176.600 0.129 0.000 1.054 106 K CA 0.127 56.542 56.287 0.213 0.000 1.065 106 K CB 0.768 33.365 32.500 0.162 0.000 0.886 106 K HN 0.153 nan 8.250 nan 0.000 0.546 107 K N 1.220 121.750 120.400 0.217 0.000 2.280 107 K HA 0.248 4.575 4.320 0.012 0.000 0.234 107 K C 0.154 176.912 176.600 0.263 0.000 1.028 107 K CA -0.503 55.885 56.287 0.168 0.000 0.882 107 K CB 1.726 34.302 32.500 0.126 0.000 1.194 107 K HN -0.041 nan 8.250 nan 0.000 0.458 108 T N -1.977 112.714 114.554 0.228 0.000 2.937 108 T HA 0.231 4.588 4.350 0.012 0.000 0.283 108 T C -0.005 174.737 174.700 0.070 0.000 1.012 108 T CA -0.866 61.404 62.100 0.285 0.000 0.997 108 T CB 0.975 70.083 68.868 0.400 0.000 1.136 108 T HN 0.375 nan 8.240 nan 0.000 0.551 109 N N 1.779 120.446 118.700 -0.057 0.000 2.415 109 N HA 0.274 5.021 4.740 0.012 0.000 0.246 109 N C -1.765 173.543 175.510 -0.337 0.000 1.078 109 N CA -2.212 50.641 53.050 -0.329 0.000 0.942 109 N CB 1.042 39.053 38.487 -0.793 0.000 1.140 109 N HN 0.300 nan 8.380 nan 0.000 0.501 110 P HA -0.193 nan 4.420 nan 0.000 0.218 110 P C 0.836 177.985 177.300 -0.252 0.000 1.152 110 P CA 1.422 64.424 63.100 -0.164 0.000 0.857 110 P CB 0.222 31.872 31.700 -0.084 0.000 0.787 111 A N -1.677 120.922 122.820 -0.368 0.000 1.933 111 A HA -0.223 4.104 4.320 0.012 0.000 0.218 111 A C 2.067 179.548 177.584 -0.173 0.000 1.175 111 A CA 1.452 53.276 52.037 -0.356 0.000 0.628 111 A CB -1.617 17.025 19.000 -0.597 0.000 0.814 111 A HN 0.098 nan 8.150 nan 0.000 0.444 112 Y N -0.673 119.346 120.300 -0.468 0.000 2.153 112 Y HA 0.344 4.901 4.550 0.012 0.000 0.289 112 Y C 1.637 176.953 175.900 -0.974 0.000 1.127 112 Y CA 0.354 57.941 58.100 -0.853 0.000 1.131 112 Y CB -1.022 36.664 38.460 -1.290 0.000 0.995 112 Y HN 0.458 nan 8.280 nan 0.000 0.505 113 G N -1.465 106.924 108.800 -0.686 0.000 2.337 113 G HA2 0.313 4.281 3.960 0.012 0.000 0.298 113 G HA3 0.313 4.281 3.960 0.012 0.000 0.298 113 G C -0.734 174.168 174.900 0.004 0.000 1.335 113 G CA -0.494 44.450 45.100 -0.260 0.000 0.875 113 G HN 0.254 nan 8.290 nan 0.000 0.579 114 T N -1.400 113.293 114.554 0.231 0.000 2.824 114 T HA 0.484 4.842 4.350 0.012 0.000 0.277 114 T C 1.762 176.744 174.700 0.470 0.000 0.975 114 T CA -0.267 61.998 62.100 0.275 0.000 0.966 114 T CB 0.659 69.629 68.868 0.170 0.000 1.054 114 T HN 0.550 nan 8.240 nan 0.000 0.533 115 I N 0.792 121.558 120.570 0.326 0.000 2.423 115 I HA -0.115 4.062 4.170 0.012 0.000 0.254 115 I C 2.835 179.132 176.117 0.301 0.000 1.151 115 I CA 1.705 63.182 61.300 0.295 0.000 1.421 115 I CB -2.042 36.035 38.000 0.128 0.000 1.079 115 I HN 0.853 nan 8.210 nan 0.000 0.431 116 A N 0.230 123.197 122.820 0.244 0.000 2.016 116 A HA -0.139 4.188 4.320 0.012 0.000 0.217 116 A C 2.000 179.720 177.584 0.227 0.000 1.162 116 A CA 1.162 53.314 52.037 0.192 0.000 0.662 116 A CB -0.321 18.760 19.000 0.135 0.000 0.812 116 A HN 0.289 nan 8.150 nan 0.000 0.450 117 D N -0.924 119.678 120.400 0.337 0.000 2.097 117 D HA -0.103 4.545 4.640 0.012 0.000 0.197 117 D C 1.571 178.089 176.300 0.364 0.000 0.984 117 D CA 0.981 55.216 54.000 0.391 0.000 0.826 117 D CB -0.388 40.744 40.800 0.554 0.000 0.973 117 D HN 0.408 nan 8.370 nan 0.000 0.460 118 F N 1.751 121.843 119.950 0.236 0.000 2.161 118 F HA -0.206 4.329 4.527 0.012 0.000 0.300 118 F C 2.376 178.110 175.800 -0.109 0.000 1.089 118 F CA 1.478 59.348 58.000 -0.217 0.000 1.282 118 F CB -0.020 38.855 39.000 -0.209 0.000 1.010 118 F HN -0.049 nan 8.300 nan 0.000 0.485 119 Q N -0.287 119.573 119.800 0.100 0.000 2.123 119 Q HA -0.171 4.177 4.340 0.012 0.000 0.199 119 Q C 1.851 177.809 176.000 -0.070 0.000 0.966 119 Q CA 1.757 57.567 55.803 0.011 0.000 0.845 119 Q CB -0.314 28.477 28.738 0.087 0.000 0.907 119 Q HN 0.596 nan 8.270 nan 0.000 0.439 120 N N 0.377 119.063 118.700 -0.023 0.000 2.142 120 N HA -0.141 4.606 4.740 0.012 0.000 0.186 120 N C 1.762 177.207 175.510 -0.108 0.000 1.023 120 N CA 0.582 53.613 53.050 -0.031 0.000 0.852 120 N CB -0.053 38.452 38.487 0.031 0.000 0.998 120 N HN 0.079 nan 8.380 nan 0.000 0.424 121 L N 1.128 122.248 121.223 -0.171 0.000 1.956 121 L HA -0.194 4.154 4.340 0.012 0.000 0.216 121 L C 1.865 178.516 176.870 -0.365 0.000 1.073 121 L CA 1.563 56.244 54.840 -0.265 0.000 0.762 121 L CB -0.537 41.266 42.059 -0.426 0.000 0.889 121 L HN 0.056 nan 8.230 nan 0.000 0.433 122 I N 0.443 120.693 120.570 -0.534 0.000 2.113 122 I HA -0.348 3.829 4.170 0.012 0.000 0.242 122 I C 2.660 178.432 176.117 -0.576 0.000 1.064 122 I CA 1.703 62.629 61.300 -0.623 0.000 1.320 122 I CB -1.526 36.142 38.000 -0.554 0.000 1.028 122 I HN 0.451 nan 8.210 nan 0.000 0.406 123 A N -0.184 122.460 122.820 -0.293 0.000 1.930 123 A HA -0.076 4.251 4.320 0.012 0.000 0.217 123 A C 2.502 180.030 177.584 -0.093 0.000 1.175 123 A CA 1.906 53.863 52.037 -0.134 0.000 0.627 123 A CB -1.004 17.964 19.000 -0.053 0.000 0.815 123 A HN 0.432 nan 8.150 nan 0.000 0.443 124 A N -0.084 122.670 122.820 -0.110 0.000 1.873 124 A HA 0.188 4.516 4.320 0.012 0.000 0.215 124 A C 2.514 180.059 177.584 -0.065 0.000 1.186 124 A CA 2.035 54.032 52.037 -0.066 0.000 0.616 124 A CB -1.044 17.921 19.000 -0.058 0.000 0.823 124 A HN 1.036 nan 8.150 nan 0.000 0.442 125 A N -0.872 121.874 122.820 -0.123 0.000 1.933 125 A HA -0.184 4.144 4.320 0.012 0.000 0.218 125 A C 1.900 179.486 177.584 0.004 0.000 1.175 125 A CA 1.635 53.617 52.037 -0.092 0.000 0.628 125 A CB -1.034 17.875 19.000 -0.150 0.000 0.814 125 A HN 0.764 nan 8.150 nan 0.000 0.444 126 H N -0.990 118.047 119.070 -0.055 0.000 2.456 126 H HA 0.012 4.576 4.556 0.012 0.000 0.296 126 H C 2.331 177.632 175.328 -0.045 0.000 1.079 126 H CA 0.535 56.554 56.048 -0.049 0.000 1.322 126 H CB 0.094 29.832 29.762 -0.041 0.000 1.388 126 H HN 0.581 nan 8.280 nan 0.000 0.538 127 A N 0.771 123.639 122.820 0.080 0.000 2.067 127 A HA -0.058 4.269 4.320 0.012 0.000 0.217 127 A C 1.579 179.168 177.584 0.008 0.000 1.156 127 A CA 0.802 52.858 52.037 0.031 0.000 0.683 127 A CB 0.184 19.195 19.000 0.017 0.000 0.808 127 A HN 0.109 nan 8.150 nan 0.000 0.455 128 K N 0.325 120.727 120.400 0.004 0.000 2.446 128 K HA 0.124 4.451 4.320 0.012 0.000 0.203 128 K C -0.290 176.297 176.600 -0.021 0.000 1.027 128 K CA -0.352 55.928 56.287 -0.012 0.000 1.166 128 K CB -0.179 32.311 32.500 -0.016 0.000 0.869 128 K HN 0.386 nan 8.250 nan 0.000 0.504 129 N N 0.944 119.636 118.700 -0.014 0.000 2.740 129 N HA -0.196 4.551 4.740 0.012 0.000 0.248 129 N C -0.909 174.577 175.510 -0.040 0.000 1.062 129 N CA 0.635 53.663 53.050 -0.037 0.000 0.704 129 N CB -1.298 37.151 38.487 -0.063 0.000 0.968 129 N HN 0.338 nan 8.380 nan 0.000 0.547 130 I N 0.801 121.376 120.570 0.007 0.000 2.389 130 I HA 0.193 4.371 4.170 0.012 0.000 0.288 130 I C 0.607 176.777 176.117 0.088 0.000 0.999 130 I CA -0.640 60.666 61.300 0.009 0.000 1.129 130 I CB 1.402 39.399 38.000 -0.005 0.000 1.288 130 I HN -0.189 nan 8.210 nan 0.000 0.444 131 K N 4.955 125.386 120.400 0.051 0.000 2.168 131 K HA 0.547 4.875 4.320 0.012 0.000 0.258 131 K C -0.883 175.840 176.600 0.205 0.000 1.010 131 K CA -0.628 55.748 56.287 0.147 0.000 0.929 131 K CB 1.653 34.162 32.500 0.014 0.000 0.998 131 K HN 0.263 nan 8.250 nan 0.000 0.479 132 V N 3.634 123.694 119.914 0.244 0.000 2.398 132 V HA 0.289 4.416 4.120 0.012 0.000 0.282 132 V C -0.278 175.960 176.094 0.240 0.000 1.014 132 V CA -0.673 61.726 62.300 0.165 0.000 0.838 132 V CB 0.685 32.478 31.823 -0.049 0.000 1.018 132 V HN 0.595 nan 8.190 nan 0.000 0.432 133 I N 5.950 126.701 120.570 0.302 0.000 2.365 133 I HA 0.494 4.671 4.170 0.012 0.000 0.291 133 I C 0.075 176.351 176.117 0.264 0.000 1.004 133 I CA -0.423 61.032 61.300 0.258 0.000 1.311 133 I CB 1.495 39.629 38.000 0.223 0.000 1.401 133 I HN 0.617 nan 8.210 nan 0.000 0.491 134 I N 1.826 122.510 120.570 0.190 0.000 2.607 134 I HA 0.559 4.736 4.170 0.012 0.000 0.305 134 I C -0.344 175.871 176.117 0.162 0.000 0.995 134 I CA -0.639 60.777 61.300 0.194 0.000 1.148 134 I CB 1.049 39.122 38.000 0.122 0.000 1.323 134 I HN 0.299 nan 8.210 nan 0.000 0.461 135 D N 2.752 123.280 120.400 0.213 0.000 2.313 135 D HA 0.458 5.105 4.640 0.012 0.000 0.247 135 D C -1.515 174.918 176.300 0.222 0.000 1.094 135 D CA 0.381 54.513 54.000 0.220 0.000 0.925 135 D CB 1.014 41.933 40.800 0.198 0.000 1.188 135 D HN 0.520 nan 8.370 nan 0.000 0.430 136 F N 1.041 121.018 119.950 0.045 0.000 2.915 136 F HA 0.449 4.984 4.527 0.012 0.000 0.350 136 F C -1.057 174.814 175.800 0.119 0.000 1.248 136 F CA -0.722 57.321 58.000 0.071 0.000 1.084 136 F CB 1.171 40.203 39.000 0.054 0.000 1.391 136 F HN 0.309 nan 8.300 nan 0.000 0.548 137 A N 6.995 129.753 122.820 -0.103 0.000 2.540 137 A HA 0.609 4.936 4.320 0.012 0.000 0.340 137 A C -2.397 175.154 177.584 -0.055 0.000 1.424 137 A CA -1.271 50.756 52.037 -0.016 0.000 0.940 137 A CB 0.044 19.059 19.000 0.025 0.000 1.149 137 A HN 0.459 nan 8.150 nan 0.000 0.505 138 P HA 0.005 nan 4.420 nan 0.000 0.255 138 P C 1.142 178.530 177.300 0.146 0.000 1.248 138 P CA 0.362 63.523 63.100 0.103 0.000 0.807 138 P CB 0.332 32.179 31.700 0.245 0.000 1.150 139 N N 0.640 119.394 118.700 0.090 0.000 2.084 139 N HA -0.137 4.610 4.740 0.012 0.000 0.190 139 N C 0.921 176.553 175.510 0.204 0.000 1.030 139 N CA 1.363 54.542 53.050 0.215 0.000 0.849 139 N CB -0.148 38.545 38.487 0.344 0.000 1.012 139 N HN 0.238 nan 8.380 nan 0.000 0.423 140 H N -4.416 114.731 119.070 0.129 0.000 3.220 140 H HA 0.410 4.973 4.556 0.012 0.000 0.299 140 H C 0.355 175.759 175.328 0.127 0.000 1.604 140 H CA 0.060 56.142 56.048 0.058 0.000 1.260 140 H CB 0.612 30.378 29.762 0.006 0.000 1.846 140 H HN 0.119 nan 8.280 nan 0.000 0.632 141 T N -1.422 113.219 114.554 0.145 0.000 3.518 141 T HA 0.342 4.699 4.350 0.012 0.000 0.211 141 T C 0.603 175.419 174.700 0.192 0.000 0.940 141 T CA 0.788 62.959 62.100 0.120 0.000 1.307 141 T CB -0.413 68.459 68.868 0.006 0.000 1.392 141 T HN 0.867 nan 8.240 nan 0.000 0.382 142 S N 0.581 116.289 115.700 0.013 0.000 2.672 142 S HA 0.670 5.148 4.470 0.012 0.000 0.271 142 S C -3.363 171.029 174.600 -0.348 0.000 1.171 142 S CA -1.436 56.684 58.200 -0.133 0.000 0.817 142 S CB 0.863 64.010 63.200 -0.089 0.000 1.150 142 S HN 0.256 nan 8.310 nan 0.000 0.478 143 P HA 0.502 nan 4.420 nan 0.000 0.266 143 P C -0.792 176.410 177.300 -0.165 0.000 1.193 143 P CA 0.377 63.261 63.100 -0.361 0.000 0.770 143 P CB 0.374 31.812 31.700 -0.438 0.000 0.836 144 A N 1.404 124.224 122.820 0.001 0.000 2.583 144 A HA 0.595 4.922 4.320 0.012 0.000 0.292 144 A C -1.164 176.405 177.584 -0.025 0.000 1.045 144 A CA -0.370 51.705 52.037 0.063 0.000 0.672 144 A CB 0.825 19.712 19.000 -0.190 0.000 1.283 144 A HN 0.287 nan 8.150 nan 0.000 0.419 145 S N -0.076 115.687 115.700 0.106 0.000 2.532 145 S HA 0.534 5.012 4.470 0.012 0.000 0.299 145 S C 1.287 176.016 174.600 0.214 0.000 1.105 145 S CA 0.133 58.348 58.200 0.026 0.000 1.018 145 S CB 1.553 64.669 63.200 -0.140 0.000 1.021 145 S HN 1.453 nan 8.310 nan 0.000 0.483 146 S N 2.649 118.531 115.700 0.305 0.000 2.368 146 S HA -0.180 4.297 4.470 0.012 0.000 0.225 146 S C 0.777 175.465 174.600 0.146 0.000 1.030 146 S CA 1.740 60.128 58.200 0.313 0.000 0.999 146 S CB -0.555 62.798 63.200 0.255 0.000 0.844 146 S HN 0.867 nan 8.310 nan 0.000 0.459 147 D N -0.476 119.978 120.400 0.089 0.000 2.440 147 D HA 0.209 4.857 4.640 0.012 0.000 0.216 147 D C 0.496 176.823 176.300 0.044 0.000 1.150 147 D CA -0.230 53.799 54.000 0.048 0.000 0.832 147 D CB -0.047 40.764 40.800 0.019 0.000 0.992 147 D HN 0.369 nan 8.370 nan 0.000 0.502 148 Q N 0.520 120.358 119.800 0.062 0.000 2.851 148 Q HA 0.245 4.593 4.340 0.012 0.000 0.331 148 Q C -1.906 174.175 176.000 0.136 0.000 0.979 148 Q CA -2.032 53.813 55.803 0.071 0.000 0.955 148 Q CB 1.222 29.969 28.738 0.016 0.000 1.298 148 Q HN -0.033 nan 8.270 nan 0.000 0.432 149 P HA -0.197 nan 4.420 nan 0.000 0.217 149 P C 0.876 178.247 177.300 0.119 0.000 1.148 149 P CA 1.279 64.451 63.100 0.120 0.000 0.828 149 P CB 0.149 31.900 31.700 0.086 0.000 0.783 150 S N -1.948 113.819 115.700 0.111 0.000 2.701 150 S HA 0.018 4.495 4.470 0.012 0.000 0.220 150 S C 0.206 174.878 174.600 0.120 0.000 0.954 150 S CA -0.597 57.658 58.200 0.092 0.000 0.936 150 S CB -1.467 61.776 63.200 0.071 0.000 0.777 150 S HN 0.021 nan 8.310 nan 0.000 0.518 151 F N 2.651 122.596 119.950 -0.008 0.000 2.371 151 F HA 0.651 5.185 4.527 0.013 0.000 0.363 151 F C 0.693 176.459 175.800 -0.057 0.000 1.122 151 F CA -0.152 57.825 58.000 -0.038 0.000 1.129 151 F CB 0.518 39.493 39.000 -0.042 0.000 1.173 151 F HN 0.432 nan 8.300 nan 0.000 0.489 152 A N 4.788 127.177 122.820 -0.718 0.000 5.277 152 A HA -0.347 3.981 4.320 0.012 0.000 0.304 152 A C 0.963 178.395 177.584 -0.253 0.000 1.976 152 A CA 1.416 53.079 52.037 -0.624 0.000 0.715 152 A CB -1.606 16.826 19.000 -0.947 0.000 1.275 152 A HN 0.790 nan 8.150 nan 0.000 0.367 153 E N 0.448 120.535 120.200 -0.188 0.000 2.660 153 E HA 0.265 4.623 4.350 0.012 0.000 0.216 153 E C 0.413 177.025 176.600 0.019 0.000 0.986 153 E CA 0.465 56.844 56.400 -0.035 0.000 1.037 153 E CB 0.044 29.753 29.700 0.015 0.000 1.041 153 E HN 0.639 nan 8.360 nan 0.000 0.480 154 N N 0.400 119.103 118.700 0.006 0.000 2.708 154 N HA -0.219 4.529 4.740 0.012 0.000 0.251 154 N C 0.401 175.941 175.510 0.050 0.000 1.123 154 N CA 0.283 53.384 53.050 0.084 0.000 0.739 154 N CB -0.669 37.903 38.487 0.141 0.000 1.113 154 N HN 0.461 nan 8.380 nan 0.000 0.561 155 G N 0.649 109.420 108.800 -0.050 0.000 2.338 155 G HA2 -0.339 3.629 3.960 0.012 0.000 0.296 155 G HA3 -0.339 3.629 3.960 0.012 0.000 0.296 155 G C 0.010 174.926 174.900 0.026 0.000 1.040 155 G CA 0.668 45.695 45.100 -0.121 0.000 1.004 155 G HN 0.551 nan 8.290 nan 0.000 0.509 156 R N -0.902 119.674 120.500 0.128 0.000 2.442 156 R HA 0.420 4.767 4.340 0.012 0.000 0.291 156 R C 0.289 176.699 176.300 0.183 0.000 1.069 156 R CA -0.503 55.692 56.100 0.158 0.000 1.022 156 R CB 0.817 31.209 30.300 0.153 0.000 0.976 156 R HN 0.382 nan 8.270 nan 0.000 0.443 157 L N 4.051 125.335 121.223 0.102 0.000 2.305 157 L HA 0.394 4.742 4.340 0.012 0.000 0.284 157 L C -1.523 175.271 176.870 -0.127 0.000 1.013 157 L CA -0.347 54.572 54.840 0.132 0.000 0.819 157 L CB 0.792 42.973 42.059 0.203 0.000 1.227 157 L HN 0.407 nan 8.230 nan 0.000 0.417 158 Y N 2.091 122.459 120.300 0.113 0.000 2.534 158 Y HA 0.501 5.059 4.550 0.013 0.000 0.329 158 Y C -0.185 175.810 175.900 0.160 0.000 1.154 158 Y CA -0.648 57.514 58.100 0.103 0.000 1.192 158 Y CB 1.356 39.889 38.460 0.122 0.000 1.275 158 Y HN 0.551 nan 8.280 nan 0.000 0.491 159 D N 1.318 121.914 120.400 0.326 0.000 2.456 159 D HA 0.154 4.801 4.640 0.012 0.000 0.287 159 D C -0.769 175.720 176.300 0.315 0.000 1.186 159 D CA -0.245 53.990 54.000 0.392 0.000 0.916 159 D CB -0.587 40.382 40.800 0.283 0.000 1.029 159 D HN 0.616 nan 8.370 nan 0.000 0.498 160 N N 1.954 120.838 118.700 0.307 0.000 2.783 160 N HA -0.194 4.553 4.740 0.012 0.000 0.247 160 N C 0.970 176.581 175.510 0.169 0.000 1.089 160 N CA 1.656 54.826 53.050 0.199 0.000 0.690 160 N CB -0.987 37.592 38.487 0.152 0.000 0.991 160 N HN 0.660 nan 8.380 nan 0.000 0.552 161 G N -2.681 106.238 108.800 0.198 0.000 2.399 161 G HA2 -0.282 3.685 3.960 0.012 0.000 0.216 161 G HA3 -0.282 3.685 3.960 0.012 0.000 0.216 161 G C 0.298 175.380 174.900 0.304 0.000 1.096 161 G CA 0.135 45.331 45.100 0.160 0.000 0.650 161 G HN 0.642 nan 8.290 nan 0.000 0.512 162 T N 3.751 118.458 114.554 0.255 0.000 2.793 162 T HA 0.397 4.754 4.350 0.012 0.000 0.289 162 T C 0.689 175.508 174.700 0.198 0.000 0.956 162 T CA -0.063 62.163 62.100 0.210 0.000 1.177 162 T CB 0.676 69.621 68.868 0.130 0.000 0.897 162 T HN 0.437 nan 8.240 nan 0.000 0.533 163 L N 5.245 126.545 121.223 0.127 0.000 2.525 163 L HA 0.097 4.445 4.340 0.012 0.000 0.278 163 L C 0.770 177.526 176.870 -0.190 0.000 1.218 163 L CA 0.339 55.050 54.840 -0.216 0.000 0.878 163 L CB 0.348 42.339 42.059 -0.113 0.000 1.127 163 L HN 0.795 nan 8.230 nan 0.000 0.492 164 L N 4.004 125.050 121.223 -0.295 0.000 2.577 164 L HA 0.361 4.709 4.340 0.012 0.000 0.225 164 L C 0.733 177.466 176.870 -0.228 0.000 1.053 164 L CA 0.524 55.229 54.840 -0.226 0.000 0.866 164 L CB 0.675 42.570 42.059 -0.273 0.000 1.132 164 L HN 0.850 nan 8.230 nan 0.000 0.486 165 G N -1.025 107.629 108.800 -0.244 0.000 2.356 165 G HA2 0.370 4.338 3.960 0.012 0.000 0.300 165 G HA3 0.370 4.338 3.960 0.012 0.000 0.300 165 G C -1.333 173.519 174.900 -0.080 0.000 1.331 165 G CA -0.235 44.757 45.100 -0.181 0.000 0.905 165 G HN 0.157 nan 8.290 nan 0.000 0.587 166 G N -2.154 106.675 108.800 0.049 0.000 3.105 166 G HA2 0.565 4.533 3.960 0.012 0.000 0.277 166 G HA3 0.565 4.533 3.960 0.012 0.000 0.277 166 G C 0.198 175.415 174.900 0.528 0.000 1.375 166 G CA 0.033 45.314 45.100 0.302 0.000 0.962 166 G HN 0.788 nan 8.290 nan 0.000 0.541 167 Y N 0.319 120.865 120.300 0.411 0.000 2.206 167 Y HA 0.142 4.700 4.550 0.012 0.000 0.292 167 Y C 1.964 178.053 175.900 0.314 0.000 1.123 167 Y CA 1.503 59.844 58.100 0.402 0.000 1.142 167 Y CB -0.060 38.467 38.460 0.112 0.000 1.006 167 Y HN 0.320 nan 8.280 nan 0.000 0.518 168 T N 1.759 116.476 114.554 0.273 0.000 2.851 168 T HA 0.045 4.403 4.350 0.012 0.000 0.298 168 T C 0.355 175.085 174.700 0.050 0.000 0.977 168 T CA 0.324 62.503 62.100 0.132 0.000 1.126 168 T CB 0.165 69.113 68.868 0.134 0.000 0.916 168 T HN 0.505 nan 8.240 nan 0.000 0.529 169 N N 1.194 119.878 118.700 -0.026 0.000 2.776 169 N HA -0.179 4.568 4.740 0.012 0.000 0.250 169 N C -0.794 174.671 175.510 -0.076 0.000 1.112 169 N CA 0.091 53.106 53.050 -0.059 0.000 0.733 169 N CB -0.472 37.998 38.487 -0.028 0.000 1.097 169 N HN 0.678 nan 8.380 nan 0.000 0.558 170 D N 0.330 120.676 120.400 -0.090 0.000 2.429 170 D HA 0.044 4.692 4.640 0.012 0.000 0.253 170 D C 1.667 177.885 176.300 -0.136 0.000 1.294 170 D CA 0.837 54.790 54.000 -0.079 0.000 1.063 170 D CB 0.470 41.325 40.800 0.091 0.000 1.096 170 D HN 0.376 nan 8.370 nan 0.000 0.516 171 T N 0.409 114.888 114.554 -0.124 0.000 2.770 171 T HA -0.167 4.191 4.350 0.012 0.000 0.258 171 T C 1.734 176.362 174.700 -0.121 0.000 1.039 171 T CA 0.643 62.671 62.100 -0.120 0.000 1.143 171 T CB -0.352 68.458 68.868 -0.096 0.000 0.866 171 T HN 0.351 nan 8.240 nan 0.000 0.428 172 Q N 0.964 120.684 119.800 -0.134 0.000 2.308 172 Q HA -0.091 4.257 4.340 0.012 0.000 0.209 172 Q C 0.185 176.089 176.000 -0.159 0.000 0.985 172 Q CA 0.876 56.592 55.803 -0.145 0.000 0.881 172 Q CB -0.322 28.310 28.738 -0.175 0.000 0.917 172 Q HN 0.608 nan 8.270 nan 0.000 0.443 173 N N -1.147 117.454 118.700 -0.166 0.000 2.771 173 N HA -0.161 4.587 4.740 0.012 0.000 0.249 173 N C -0.169 175.192 175.510 -0.248 0.000 1.069 173 N CA 0.194 53.158 53.050 -0.143 0.000 0.688 173 N CB -1.078 37.347 38.487 -0.102 0.000 0.928 173 N HN 0.215 nan 8.380 nan 0.000 0.551 174 L N -1.866 119.098 121.223 -0.432 0.000 2.446 174 L HA 0.233 4.581 4.340 0.012 0.000 0.219 174 L C 0.334 176.821 176.870 -0.637 0.000 1.116 174 L CA 0.605 55.065 54.840 -0.632 0.000 0.844 174 L CB -0.129 41.391 42.059 -0.898 0.000 0.970 174 L HN 0.071 nan 8.230 nan 0.000 0.457 175 F N -2.161 117.671 119.950 -0.197 0.000 2.639 175 F HA 0.435 4.969 4.527 0.012 0.000 0.339 175 F C 0.194 175.780 175.800 -0.357 0.000 1.071 175 F CA -1.604 56.254 58.000 -0.237 0.000 0.994 175 F CB 0.544 39.505 39.000 -0.064 0.000 1.341 175 F HN -0.246 nan 8.300 nan 0.000 0.498 176 H N -0.008 119.093 119.070 0.052 0.000 2.489 176 H HA 0.325 4.888 4.556 0.013 0.000 0.322 176 H C -0.436 174.792 175.328 -0.167 0.000 1.091 176 H CA -0.273 55.763 56.048 -0.020 0.000 1.291 176 H CB 0.695 30.499 29.762 0.071 0.000 1.436 176 H HN 0.416 nan 8.280 nan 0.000 0.480 177 H N 3.293 122.465 119.070 0.170 0.000 2.505 177 H HA 0.119 4.682 4.556 0.012 0.000 0.260 177 H C 0.112 175.466 175.328 0.045 0.000 1.232 177 H CA -0.136 55.948 56.048 0.060 0.000 0.991 177 H CB 0.263 29.975 29.762 -0.082 0.000 1.729 177 H HN 0.729 nan 8.280 nan 0.000 0.561 178 N N 0.631 119.403 118.700 0.119 0.000 2.388 178 N HA 0.096 4.843 4.740 0.012 0.000 0.176 178 N C 1.130 176.643 175.510 0.006 0.000 1.062 178 N CA 0.679 53.749 53.050 0.034 0.000 0.895 178 N CB 1.800 40.276 38.487 -0.017 0.000 1.018 178 N HN 0.496 nan 8.380 nan 0.000 0.456 179 G N -0.086 108.727 108.800 0.022 0.000 2.462 179 G HA2 0.017 3.985 3.960 0.012 0.000 0.685 179 G HA3 0.017 3.985 3.960 0.012 0.000 0.685 179 G C -0.017 174.830 174.900 -0.088 0.000 1.295 179 G CA -0.675 44.413 45.100 -0.019 0.000 0.941 179 G HN 0.333 nan 8.290 nan 0.000 0.554 180 G N -1.371 107.353 108.800 -0.126 0.000 2.590 180 G HA2 0.615 4.582 3.960 0.012 0.000 0.276 180 G HA3 0.615 4.582 3.960 0.012 0.000 0.276 180 G C 0.286 175.010 174.900 -0.294 0.000 1.337 180 G CA 1.157 46.129 45.100 -0.213 0.000 1.030 180 G HN 1.624 nan 8.290 nan 0.000 0.534 181 T N -1.304 112.977 114.554 -0.456 0.000 2.912 181 T HA 0.401 4.758 4.350 0.012 0.000 0.299 181 T C -0.110 174.127 174.700 -0.772 0.000 1.052 181 T CA -0.238 61.490 62.100 -0.620 0.000 0.996 181 T CB 1.600 69.975 68.868 -0.821 0.000 1.070 181 T HN 0.559 nan 8.240 nan 0.000 0.465 182 D N 2.581 122.643 120.400 -0.563 0.000 2.433 182 D HA 0.077 4.724 4.640 0.012 0.000 0.211 182 D C 0.193 176.400 176.300 -0.156 0.000 1.114 182 D CA -0.218 53.585 54.000 -0.327 0.000 0.837 182 D CB -0.283 40.440 40.800 -0.129 0.000 0.984 182 D HN 0.650 nan 8.370 nan 0.000 0.505 183 F N 1.289 121.170 119.950 -0.116 0.000 3.074 183 F HA -0.273 4.261 4.527 0.012 0.000 0.287 183 F C 1.741 177.508 175.800 -0.056 0.000 0.932 183 F CA 0.561 58.510 58.000 -0.084 0.000 0.995 183 F CB -2.824 36.137 39.000 -0.064 0.000 0.966 183 F HN 0.096 nan 8.300 nan 0.000 0.721 184 S N -1.890 113.821 115.700 0.018 0.000 2.377 184 S HA 0.116 4.593 4.470 0.012 0.000 0.223 184 S C 0.928 175.537 174.600 0.015 0.000 1.030 184 S CA 1.054 59.263 58.200 0.014 0.000 0.970 184 S CB 0.087 63.271 63.200 -0.027 0.000 0.830 184 S HN 0.628 nan 8.310 nan 0.000 0.473 185 T N -2.664 111.880 114.554 -0.017 0.000 2.906 185 T HA 0.518 4.876 4.350 0.012 0.000 0.295 185 T C 0.597 175.264 174.700 -0.054 0.000 1.075 185 T CA -0.416 61.668 62.100 -0.025 0.000 1.005 185 T CB 1.324 70.156 68.868 -0.059 0.000 1.136 185 T HN -0.074 nan 8.240 nan 0.000 0.498 186 T N 0.470 115.000 114.554 -0.039 0.000 2.720 186 T HA -0.129 4.228 4.350 0.012 0.000 0.268 186 T C 1.716 176.239 174.700 -0.296 0.000 1.037 186 T CA 2.068 64.129 62.100 -0.065 0.000 1.144 186 T CB -0.409 68.520 68.868 0.102 0.000 0.864 186 T HN 0.865 nan 8.240 nan 0.000 0.444 187 E N 1.037 120.939 120.200 -0.497 0.000 2.077 187 E HA -0.194 4.164 4.350 0.012 0.000 0.193 187 E C 2.273 178.646 176.600 -0.378 0.000 0.989 187 E CA 1.117 57.040 56.400 -0.794 0.000 0.800 187 E CB -0.199 28.993 29.700 -0.846 0.000 0.746 187 E HN 0.337 nan 8.360 nan 0.000 0.452 188 N N 0.228 118.783 118.700 -0.241 0.000 2.188 188 N HA -0.104 4.643 4.740 0.012 0.000 0.184 188 N C 1.906 177.279 175.510 -0.227 0.000 1.018 188 N CA 1.485 54.426 53.050 -0.183 0.000 0.858 188 N CB -0.320 38.076 38.487 -0.152 0.000 0.989 188 N HN 0.290 nan 8.380 nan 0.000 0.426 189 G N 0.575 109.256 108.800 -0.199 0.000 2.421 189 G HA2 -0.063 3.905 3.960 0.012 0.000 0.217 189 G HA3 -0.063 3.905 3.960 0.012 0.000 0.217 189 G C 1.780 176.604 174.900 -0.127 0.000 1.143 189 G CA 0.240 45.258 45.100 -0.137 0.000 0.784 189 G HN 0.299 nan 8.290 nan 0.000 0.541 190 I N -0.744 119.659 120.570 -0.280 0.000 2.206 190 I HA -0.019 4.158 4.170 0.012 0.000 0.239 190 I C 1.136 176.952 176.117 -0.502 0.000 1.078 190 I CA 0.648 61.676 61.300 -0.453 0.000 1.367 190 I CB -0.017 37.486 38.000 -0.828 0.000 1.078 190 I HN 0.075 nan 8.210 nan 0.000 0.413 191 Y N 1.903 122.062 120.300 -0.235 0.000 2.775 191 Y HA 0.308 4.865 4.550 0.012 0.000 0.349 191 Y C 0.154 175.848 175.900 -0.343 0.000 1.094 191 Y CA -0.222 57.644 58.100 -0.391 0.000 1.467 191 Y CB -0.619 37.649 38.460 -0.320 0.000 1.272 191 Y HN -0.069 nan 8.280 nan 0.000 0.515 192 K N 0.191 120.481 120.400 -0.182 0.000 2.508 192 K HA 0.281 4.609 4.320 0.012 0.000 0.260 192 K C -0.987 175.480 176.600 -0.222 0.000 0.949 192 K CA -1.100 55.077 56.287 -0.183 0.000 0.834 192 K CB 1.775 34.137 32.500 -0.230 0.000 1.365 192 K HN 0.020 nan 8.250 nan 0.000 0.437 193 N N 1.313 119.894 118.700 -0.197 0.000 2.454 193 N HA -0.016 4.732 4.740 0.012 0.000 0.254 193 N C -0.211 175.047 175.510 -0.420 0.000 1.228 193 N CA -0.063 52.841 53.050 -0.243 0.000 0.900 193 N CB 0.354 38.721 38.487 -0.200 0.000 1.089 193 N HN 0.336 nan 8.380 nan 0.000 0.449 194 L N 5.246 126.190 121.223 -0.464 0.000 2.387 194 L HA 0.093 4.440 4.340 0.012 0.000 0.267 194 L C -0.395 176.085 176.870 -0.649 0.000 1.197 194 L CA 0.422 54.816 54.840 -0.745 0.000 1.070 194 L CB -1.763 39.938 42.059 -0.596 0.000 1.349 194 L HN 0.600 nan 8.230 nan 0.000 0.422 195 Y N 0.381 120.518 120.300 -0.271 0.000 2.896 195 Y HA -0.397 4.161 4.550 0.013 0.000 0.466 195 Y C 1.331 177.092 175.900 -0.233 0.000 1.199 195 Y CA 0.945 58.910 58.100 -0.225 0.000 2.510 195 Y CB -1.335 37.008 38.460 -0.195 0.000 1.232 195 Y HN 0.595 nan 8.280 nan 0.000 0.631 196 D N 1.341 121.729 120.400 -0.019 0.000 2.369 196 D HA 0.251 4.899 4.640 0.012 0.000 0.211 196 D C -0.017 176.142 176.300 -0.235 0.000 1.077 196 D CA 0.068 53.988 54.000 -0.133 0.000 0.842 196 D CB -0.385 40.371 40.800 -0.074 0.000 0.947 196 D HN 0.418 nan 8.370 nan 0.000 0.509 197 L N 1.256 122.341 121.223 -0.229 0.000 2.534 197 L HA 0.211 4.559 4.340 0.012 0.000 0.271 197 L C 0.776 177.442 176.870 -0.340 0.000 1.178 197 L CA -0.592 54.077 54.840 -0.285 0.000 0.907 197 L CB 0.310 42.148 42.059 -0.369 0.000 1.164 197 L HN 0.035 nan 8.230 nan 0.000 0.482 198 A N 3.283 125.825 122.820 -0.464 0.000 2.752 198 A HA 0.029 4.356 4.320 0.012 0.000 0.292 198 A C 0.151 177.535 177.584 -0.333 0.000 1.597 198 A CA -0.384 51.248 52.037 -0.676 0.000 1.241 198 A CB -0.727 17.650 19.000 -1.039 0.000 1.061 198 A HN 0.735 nan 8.150 nan 0.000 0.576 199 D N 1.236 121.573 120.400 -0.106 0.000 2.525 199 D HA 0.206 4.853 4.640 0.012 0.000 0.235 199 D C 0.035 176.419 176.300 0.140 0.000 1.137 199 D CA 0.820 54.868 54.000 0.080 0.000 0.868 199 D CB 0.361 41.257 40.800 0.160 0.000 1.180 199 D HN 0.474 nan 8.370 nan 0.000 0.465 200 L N 3.155 124.435 121.223 0.095 0.000 2.326 200 L HA 0.213 4.560 4.340 0.012 0.000 0.278 200 L C 0.399 177.081 176.870 -0.314 0.000 1.092 200 L CA -0.559 54.267 54.840 -0.023 0.000 0.810 200 L CB 0.892 42.808 42.059 -0.238 0.000 1.153 200 L HN 0.358 nan 8.230 nan 0.000 0.439 201 N N 1.231 119.678 118.700 -0.422 0.000 2.719 201 N HA 0.067 4.814 4.740 0.012 0.000 0.243 201 N C 0.488 175.754 175.510 -0.407 0.000 1.104 201 N CA -0.166 52.526 53.050 -0.597 0.000 0.981 201 N CB 0.226 38.323 38.487 -0.651 0.000 1.290 201 N HN 0.442 nan 8.380 nan 0.000 0.513 202 H N 0.692 119.586 119.070 -0.294 0.000 2.568 202 H HA -0.018 4.546 4.556 0.012 0.000 0.281 202 H C 0.992 176.220 175.328 -0.167 0.000 1.028 202 H CA 0.518 56.293 56.048 -0.455 0.000 1.199 202 H CB 0.068 29.060 29.762 -1.284 0.000 1.352 202 H HN 0.520 nan 8.280 nan 0.000 0.605 203 N N 0.492 119.197 118.700 0.009 0.000 2.353 203 N HA -0.099 4.649 4.740 0.012 0.000 0.185 203 N C -0.083 175.445 175.510 0.031 0.000 1.098 203 N CA -0.081 53.013 53.050 0.074 0.000 0.872 203 N CB 0.204 38.750 38.487 0.098 0.000 0.970 203 N HN 0.270 nan 8.380 nan 0.000 0.467 204 N N 0.149 118.831 118.700 -0.030 0.000 2.434 204 N HA 0.011 4.758 4.740 0.012 0.000 0.272 204 N C 0.527 176.048 175.510 0.017 0.000 1.040 204 N CA 0.139 53.166 53.050 -0.039 0.000 0.956 204 N CB 1.186 39.602 38.487 -0.119 0.000 1.108 204 N HN 0.146 nan 8.380 nan 0.000 0.481 205 S N 2.614 118.337 115.700 0.038 0.000 2.402 205 S HA -0.175 4.303 4.470 0.012 0.000 0.233 205 S C 1.614 176.259 174.600 0.076 0.000 1.030 205 S CA 1.610 59.855 58.200 0.073 0.000 1.003 205 S CB -0.473 62.762 63.200 0.059 0.000 0.813 205 S HN 0.684 nan 8.310 nan 0.000 0.477 206 T N 2.194 116.764 114.554 0.027 0.000 2.737 206 T HA 0.001 4.358 4.350 0.012 0.000 0.265 206 T C 1.957 176.695 174.700 0.063 0.000 1.038 206 T CA 1.312 63.426 62.100 0.023 0.000 1.144 206 T CB -0.517 68.319 68.868 -0.054 0.000 0.866 206 T HN 0.287 nan 8.240 nan 0.000 0.434 207 V N 1.760 121.678 119.914 0.007 0.000 2.307 207 V HA -0.164 3.963 4.120 0.012 0.000 0.245 207 V C 2.396 178.617 176.094 0.211 0.000 1.045 207 V CA 2.032 64.347 62.300 0.024 0.000 1.024 207 V CB -0.642 31.087 31.823 -0.157 0.000 0.651 207 V HN 0.493 nan 8.190 nan 0.000 0.449 208 D N 0.138 120.688 120.400 0.249 0.000 2.092 208 D HA -0.175 4.472 4.640 0.012 0.000 0.193 208 D C 2.006 178.541 176.300 0.392 0.000 0.994 208 D CA 1.855 56.141 54.000 0.477 0.000 0.828 208 D CB -0.169 40.915 40.800 0.474 0.000 0.963 208 D HN 0.172 nan 8.370 nan 0.000 0.450 209 V N -0.091 119.978 119.914 0.258 0.000 2.407 209 V HA -0.231 3.896 4.120 0.012 0.000 0.248 209 V C 2.091 178.306 176.094 0.202 0.000 1.055 209 V CA 1.878 64.291 62.300 0.189 0.000 1.049 209 V CB -0.899 31.006 31.823 0.136 0.000 0.662 209 V HN 0.340 nan 8.190 nan 0.000 0.455 210 Y N 0.738 121.109 120.300 0.118 0.000 2.053 210 Y HA -0.272 4.286 4.550 0.012 0.000 0.277 210 Y C 2.267 178.258 175.900 0.151 0.000 1.159 210 Y CA 1.933 60.099 58.100 0.108 0.000 1.125 210 Y CB -0.397 38.106 38.460 0.071 0.000 0.969 210 Y HN 0.123 nan 8.280 nan 0.000 0.492 211 L N -0.067 121.271 121.223 0.192 0.000 2.012 211 L HA -0.266 4.082 4.340 0.012 0.000 0.210 211 L C 2.408 179.435 176.870 0.261 0.000 1.073 211 L CA 1.999 56.972 54.840 0.222 0.000 0.748 211 L CB -0.677 41.706 42.059 0.541 0.000 0.891 211 L HN 0.183 nan 8.230 nan 0.000 0.431 212 K N -0.353 120.183 120.400 0.226 0.000 2.147 212 K HA -0.166 4.161 4.320 0.012 0.000 0.205 212 K C 1.724 178.261 176.600 -0.104 0.000 1.049 212 K CA 1.169 57.450 56.287 -0.010 0.000 0.936 212 K CB -0.054 32.409 32.500 -0.061 0.000 0.722 212 K HN 0.179 nan 8.250 nan 0.000 0.446 213 D N -0.058 120.299 120.400 -0.072 0.000 2.194 213 D HA -0.006 4.641 4.640 0.012 0.000 0.204 213 D C 1.678 177.901 176.300 -0.129 0.000 0.964 213 D CA 0.865 54.792 54.000 -0.121 0.000 0.846 213 D CB 0.115 40.866 40.800 -0.081 0.000 0.962 213 D HN 0.178 nan 8.370 nan 0.000 0.490 214 A N 0.452 123.197 122.820 -0.125 0.000 1.929 214 A HA -0.087 4.241 4.320 0.012 0.000 0.216 214 A C 2.090 179.798 177.584 0.206 0.000 1.176 214 A CA 0.586 52.632 52.037 0.014 0.000 0.628 214 A CB -0.408 18.607 19.000 0.025 0.000 0.816 214 A HN 0.226 nan 8.150 nan 0.000 0.444 215 I N -0.660 119.988 120.570 0.130 0.000 2.676 215 I HA -0.042 4.136 4.170 0.012 0.000 0.259 215 I C 1.781 177.896 176.117 -0.004 0.000 1.194 215 I CA 1.380 62.688 61.300 0.012 0.000 1.473 215 I CB -0.319 37.601 38.000 -0.133 0.000 1.096 215 I HN 0.143 nan 8.210 nan 0.000 0.443 216 K N -0.448 119.888 120.400 -0.107 0.000 2.366 216 K HA -0.045 4.283 4.320 0.012 0.000 0.198 216 K C 2.025 178.581 176.600 -0.073 0.000 1.044 216 K CA 0.816 56.985 56.287 -0.196 0.000 0.973 216 K CB -0.157 32.077 32.500 -0.443 0.000 0.767 216 K HN 0.366 nan 8.250 nan 0.000 0.475 217 M N -1.195 118.353 119.600 -0.088 0.000 2.160 217 M HA -0.108 4.379 4.480 0.012 0.000 0.264 217 M C 1.040 177.222 176.300 -0.197 0.000 1.073 217 M CA 1.571 56.752 55.300 -0.199 0.000 1.142 217 M CB -0.106 32.270 32.600 -0.374 0.000 1.358 217 M HN 0.171 nan 8.290 nan 0.000 0.422 218 W N 0.955 122.286 121.300 0.052 0.000 2.388 218 W HA -0.097 4.571 4.660 0.012 0.000 0.294 218 W C 2.112 178.710 176.519 0.132 0.000 1.212 218 W CA 0.612 58.004 57.345 0.079 0.000 1.271 218 W CB -0.639 28.859 29.460 0.062 0.000 1.126 218 W HN 0.165 nan 8.180 nan 0.000 0.535 219 L N 0.229 121.630 121.223 0.297 0.000 2.081 219 L HA -0.263 4.085 4.340 0.012 0.000 0.212 219 L C 1.690 178.700 176.870 0.234 0.000 1.080 219 L CA 1.500 56.496 54.840 0.259 0.000 0.754 219 L CB -0.831 41.402 42.059 0.289 0.000 0.893 219 L HN -0.016 nan 8.230 nan 0.000 0.433 220 D N -0.150 120.372 120.400 0.203 0.000 2.224 220 D HA -0.093 4.554 4.640 0.012 0.000 0.205 220 D C 2.193 178.577 176.300 0.141 0.000 0.965 220 D CA 0.827 54.919 54.000 0.153 0.000 0.852 220 D CB -0.031 40.834 40.800 0.108 0.000 0.947 220 D HN 0.262 nan 8.370 nan 0.000 0.494 221 L N -0.763 120.571 121.223 0.185 0.000 2.610 221 L HA 0.143 4.491 4.340 0.012 0.000 0.232 221 L C 1.355 178.375 176.870 0.250 0.000 1.149 221 L CA 0.525 55.510 54.840 0.241 0.000 0.872 221 L CB -0.062 42.224 42.059 0.379 0.000 0.992 221 L HN 0.188 nan 8.230 nan 0.000 0.447 222 G N 0.979 109.922 108.800 0.238 0.000 2.148 222 G HA2 -0.249 3.718 3.960 0.012 0.000 0.203 222 G HA3 -0.249 3.718 3.960 0.012 0.000 0.203 222 G C 0.353 175.414 174.900 0.269 0.000 0.993 222 G CA 0.032 45.271 45.100 0.232 0.000 0.661 222 G HN 0.409 nan 8.290 nan 0.000 0.518 223 I N -1.922 118.827 120.570 0.300 0.000 2.872 223 I HA 0.391 4.569 4.170 0.012 0.000 0.291 223 I C 0.833 177.113 176.117 0.272 0.000 1.216 223 I CA 0.236 61.711 61.300 0.291 0.000 1.424 223 I CB 0.591 38.794 38.000 0.340 0.000 1.351 223 I HN -0.049 nan 8.210 nan 0.000 0.592 224 D N 3.865 124.445 120.400 0.300 0.000 2.277 224 D HA 0.202 4.849 4.640 0.012 0.000 0.209 224 D C 0.724 177.240 176.300 0.359 0.000 0.970 224 D CA 0.927 55.130 54.000 0.338 0.000 0.874 224 D CB 0.717 41.761 40.800 0.406 0.000 0.982 224 D HN 0.840 nan 8.370 nan 0.000 0.504 225 G N -0.183 108.790 108.800 0.287 0.000 2.663 225 G HA2 0.600 4.568 3.960 0.012 0.000 0.299 225 G HA3 0.600 4.568 3.960 0.012 0.000 0.299 225 G C -1.736 173.214 174.900 0.084 0.000 1.372 225 G CA -0.574 44.635 45.100 0.181 0.000 0.781 225 G HN -0.016 nan 8.290 nan 0.000 0.491 226 I N -0.171 120.376 120.570 -0.038 0.000 2.656 226 I HA 0.489 4.666 4.170 0.012 0.000 0.292 226 I C -0.444 175.383 176.117 -0.485 0.000 1.144 226 I CA -0.745 60.471 61.300 -0.141 0.000 1.038 226 I CB 2.547 40.514 38.000 -0.056 0.000 1.244 226 I HN 0.247 nan 8.210 nan 0.000 0.420 227 R N 6.288 126.454 120.500 -0.556 0.000 2.246 227 R HA 0.493 4.840 4.340 0.012 0.000 0.332 227 R C -1.240 174.860 176.300 -0.333 0.000 0.974 227 R CA -0.734 54.802 56.100 -0.940 0.000 0.837 227 R CB 1.044 30.702 30.300 -1.071 0.000 1.145 227 R HN 0.519 nan 8.270 nan 0.000 0.467 228 M N 3.050 122.480 119.600 -0.283 0.000 2.105 228 M HA 0.104 4.592 4.480 0.012 0.000 0.350 228 M C -0.111 176.217 176.300 0.048 0.000 1.308 228 M CA -0.602 54.682 55.300 -0.027 0.000 1.108 228 M CB 0.568 33.177 32.600 0.014 0.000 1.622 228 M HN 0.400 nan 8.290 nan 0.000 0.468 229 D N 2.816 123.289 120.400 0.122 0.000 2.302 229 D HA 0.457 5.105 4.640 0.012 0.000 0.248 229 D C 0.344 176.728 176.300 0.139 0.000 1.094 229 D CA 0.254 54.349 54.000 0.157 0.000 0.897 229 D CB 0.825 41.742 40.800 0.195 0.000 1.200 229 D HN 0.840 nan 8.370 nan 0.000 0.429 230 A N 2.649 125.544 122.820 0.126 0.000 2.560 230 A HA -0.164 4.163 4.320 0.012 0.000 0.299 230 A C 1.312 178.890 177.584 -0.010 0.000 1.484 230 A CA 0.911 53.005 52.037 0.095 0.000 0.749 230 A CB -2.295 16.867 19.000 0.270 0.000 1.072 230 A HN 1.142 nan 8.150 nan 0.000 0.426 231 V N -2.068 117.793 119.914 -0.088 0.000 3.444 231 V HA 0.081 4.208 4.120 0.012 0.000 0.271 231 V C 1.506 177.368 176.094 -0.386 0.000 1.188 231 V CA 2.128 64.346 62.300 -0.136 0.000 1.168 231 V CB -0.266 31.476 31.823 -0.135 0.000 0.810 231 V HN 0.637 nan 8.190 nan 0.000 0.500 232 K N -0.588 119.437 120.400 -0.624 0.000 2.374 232 K HA 0.092 4.420 4.320 0.012 0.000 0.196 232 K C 0.765 176.906 176.600 -0.765 0.000 1.023 232 K CA 0.101 55.766 56.287 -1.037 0.000 1.103 232 K CB 0.114 31.607 32.500 -1.679 0.000 0.848 232 K HN 0.674 nan 8.250 nan 0.000 0.528 233 H N -0.897 118.079 119.070 -0.157 0.000 2.785 233 H HA 0.275 4.838 4.556 0.012 0.000 0.268 233 H C -0.218 175.047 175.328 -0.104 0.000 1.153 233 H CA -0.132 55.835 56.048 -0.136 0.000 1.111 233 H CB 0.458 30.157 29.762 -0.105 0.000 1.633 233 H HN 0.078 nan 8.280 nan 0.000 0.576 234 M N 0.927 120.554 119.600 0.045 0.000 2.662 234 M HA 0.392 4.879 4.480 0.012 0.000 0.310 234 M C -2.534 173.797 176.300 0.052 0.000 1.204 234 M CA -1.887 53.431 55.300 0.030 0.000 0.891 234 M CB 2.763 35.397 32.600 0.057 0.000 1.732 234 M HN -0.209 nan 8.290 nan 0.000 0.467 235 P HA 0.069 nan 4.420 nan 0.000 0.271 235 P C -0.255 177.237 177.300 0.320 0.000 1.226 235 P CA -0.013 63.087 63.100 -0.000 0.000 0.765 235 P CB 0.119 31.908 31.700 0.149 0.000 0.835 236 F N 2.131 122.214 119.950 0.222 0.000 2.186 236 F HA -0.017 4.517 4.527 0.012 0.000 0.299 236 F C 2.468 178.391 175.800 0.204 0.000 1.090 236 F CA 1.254 59.441 58.000 0.311 0.000 1.307 236 F CB -2.278 36.947 39.000 0.375 0.000 1.019 236 F HN 0.344 nan 8.300 nan 0.000 0.489 237 G N -1.141 107.826 108.800 0.280 0.000 2.432 237 G HA2 -0.308 3.659 3.960 0.012 0.000 0.219 237 G HA3 -0.308 3.659 3.960 0.012 0.000 0.219 237 G C 1.581 176.637 174.900 0.260 0.000 1.135 237 G CA 0.627 45.861 45.100 0.223 0.000 0.767 237 G HN 0.500 nan 8.290 nan 0.000 0.550 238 W N 1.041 122.419 121.300 0.131 0.000 2.443 238 W HA 0.067 4.734 4.660 0.012 0.000 0.296 238 W C 2.737 179.350 176.519 0.155 0.000 1.202 238 W CA 1.171 58.595 57.345 0.131 0.000 1.312 238 W CB 0.071 29.582 29.460 0.085 0.000 1.120 238 W HN 0.236 nan 8.180 nan 0.000 0.536 239 Q N 0.385 120.384 119.800 0.332 0.000 2.291 239 Q HA -0.227 4.121 4.340 0.012 0.000 0.206 239 Q C 2.058 178.086 176.000 0.046 0.000 0.976 239 Q CA 1.437 57.354 55.803 0.190 0.000 0.875 239 Q CB -0.298 28.684 28.738 0.407 0.000 0.927 239 Q HN 0.366 nan 8.270 nan 0.000 0.450 240 K N 0.723 121.146 120.400 0.038 0.000 2.076 240 K HA -0.094 4.233 4.320 0.012 0.000 0.204 240 K C 2.260 178.826 176.600 -0.058 0.000 1.051 240 K CA 1.370 57.648 56.287 -0.016 0.000 0.949 240 K CB 0.082 32.594 32.500 0.019 0.000 0.726 240 K HN 0.173 nan 8.250 nan 0.000 0.443 241 S N 0.009 115.650 115.700 -0.099 0.000 2.428 241 S HA -0.129 4.349 4.470 0.012 0.000 0.230 241 S C 1.837 176.282 174.600 -0.259 0.000 1.014 241 S CA 0.459 58.566 58.200 -0.155 0.000 0.957 241 S CB -0.513 62.606 63.200 -0.135 0.000 0.784 241 S HN 0.400 nan 8.310 nan 0.000 0.499 242 F N 2.088 121.711 119.950 -0.545 0.000 2.128 242 F HA 0.107 4.641 4.527 0.012 0.000 0.295 242 F C 2.263 177.897 175.800 -0.276 0.000 1.100 242 F CA 1.251 58.917 58.000 -0.556 0.000 1.260 242 F CB -0.272 38.236 39.000 -0.820 0.000 1.009 242 F HN 0.079 nan 8.300 nan 0.000 0.476 243 M N 0.655 120.259 119.600 0.006 0.000 2.213 243 M HA -0.122 4.365 4.480 0.012 0.000 0.263 243 M C 2.455 178.681 176.300 -0.123 0.000 1.062 243 M CA 1.503 56.787 55.300 -0.026 0.000 1.105 243 M CB -2.031 30.569 32.600 -0.001 0.000 1.385 243 M HN 0.333 nan 8.290 nan 0.000 0.417 244 A N -0.311 122.431 122.820 -0.130 0.000 1.969 244 A HA 0.072 4.400 4.320 0.012 0.000 0.218 244 A C 2.375 179.875 177.584 -0.139 0.000 1.169 244 A CA 1.772 53.744 52.037 -0.109 0.000 0.635 244 A CB -0.766 18.184 19.000 -0.083 0.000 0.810 244 A HN 0.466 nan 8.150 nan 0.000 0.445 245 A N -0.745 121.927 122.820 -0.247 0.000 2.014 245 A HA 0.136 4.463 4.320 0.012 0.000 0.218 245 A C 2.156 179.590 177.584 -0.248 0.000 1.163 245 A CA 1.583 53.453 52.037 -0.279 0.000 0.652 245 A CB -0.524 18.222 19.000 -0.423 0.000 0.808 245 A HN 0.306 nan 8.150 nan 0.000 0.449 246 V N 0.630 120.367 119.914 -0.294 0.000 2.283 246 V HA -0.178 3.949 4.120 0.012 0.000 0.239 246 V C 2.216 178.299 176.094 -0.018 0.000 1.035 246 V CA 1.834 64.037 62.300 -0.160 0.000 1.018 246 V CB -0.939 30.773 31.823 -0.186 0.000 0.658 246 V HN 0.506 nan 8.190 nan 0.000 0.459 247 N N 1.436 120.117 118.700 -0.033 0.000 2.091 247 N HA -0.188 4.560 4.740 0.012 0.000 0.193 247 N C 1.431 176.957 175.510 0.026 0.000 1.021 247 N CA 1.660 54.715 53.050 0.009 0.000 0.862 247 N CB -0.677 37.810 38.487 -0.001 0.000 1.018 247 N HN 0.470 nan 8.380 nan 0.000 0.429 248 N N -0.622 118.089 118.700 0.020 0.000 2.521 248 N HA -0.083 4.665 4.740 0.012 0.000 0.188 248 N C 0.932 176.496 175.510 0.090 0.000 1.146 248 N CA 0.273 53.346 53.050 0.038 0.000 0.893 248 N CB 0.171 38.670 38.487 0.021 0.000 0.975 248 N HN 0.432 nan 8.380 nan 0.000 0.451 249 Y N 0.512 120.782 120.300 -0.049 0.000 2.808 249 Y HA 0.310 4.868 4.550 0.012 0.000 0.244 249 Y C -0.049 175.840 175.900 -0.020 0.000 1.033 249 Y CA 0.526 58.601 58.100 -0.043 0.000 1.415 249 Y CB 0.686 39.104 38.460 -0.070 0.000 1.420 249 Y HN -0.322 nan 8.280 nan 0.000 0.484 250 K N 1.465 121.840 120.400 -0.041 0.000 3.050 250 K HA 0.299 4.626 4.320 0.012 0.000 0.185 250 K C -2.912 173.707 176.600 0.031 0.000 1.147 250 K CA -2.147 54.080 56.287 -0.101 0.000 0.916 250 K CB 1.293 33.722 32.500 -0.118 0.000 1.119 250 K HN -0.012 nan 8.250 nan 0.000 0.605 251 P HA -0.119 nan 4.420 nan 0.000 0.259 251 P C -0.713 176.652 177.300 0.108 0.000 1.163 251 P CA -0.067 63.076 63.100 0.071 0.000 0.760 251 P CB 0.586 32.334 31.700 0.081 0.000 0.762 252 V N 1.298 121.290 119.914 0.129 0.000 2.969 252 V HA 0.478 4.605 4.120 0.012 0.000 0.304 252 V C -0.684 175.534 176.094 0.206 0.000 1.192 252 V CA -1.401 61.013 62.300 0.189 0.000 0.962 252 V CB 1.688 33.616 31.823 0.174 0.000 1.045 252 V HN 0.265 nan 8.190 nan 0.000 0.428 253 F N 3.196 123.214 119.950 0.113 0.000 2.477 253 F HA 0.397 4.932 4.527 0.013 0.000 0.392 253 F C 0.632 176.442 175.800 0.017 0.000 1.028 253 F CA 1.285 59.306 58.000 0.035 0.000 1.069 253 F CB -0.085 38.804 39.000 -0.185 0.000 0.970 253 F HN 0.781 nan 8.300 nan 0.000 0.540 254 T N 8.328 122.659 114.554 -0.372 0.000 2.797 254 T HA 0.557 4.914 4.350 0.012 0.000 0.279 254 T C -1.116 173.373 174.700 -0.351 0.000 0.991 254 T CA -0.242 61.683 62.100 -0.292 0.000 0.979 254 T CB 0.611 69.414 68.868 -0.108 0.000 0.943 254 T HN 0.365 nan 8.240 nan 0.000 0.444 255 F N 0.116 119.812 119.950 -0.423 0.000 2.585 255 F HA 0.782 5.317 4.527 0.012 0.000 0.319 255 F C 0.042 175.775 175.800 -0.113 0.000 1.165 255 F CA -1.408 56.407 58.000 -0.309 0.000 0.949 255 F CB 0.540 39.300 39.000 -0.399 0.000 1.218 255 F HN 0.638 nan 8.300 nan 0.000 0.453 256 G N 1.629 110.478 108.800 0.081 0.000 2.547 256 G HA2 0.475 4.442 3.960 0.012 0.000 0.291 256 G HA3 0.475 4.442 3.960 0.012 0.000 0.291 256 G C -1.446 173.559 174.900 0.174 0.000 1.211 256 G CA -0.775 44.382 45.100 0.094 0.000 0.950 256 G HN 0.961 nan 8.290 nan 0.000 0.504 257 E N -0.542 119.761 120.200 0.172 0.000 2.145 257 E HA 0.319 4.677 4.350 0.012 0.000 0.270 257 E C -1.474 175.270 176.600 0.240 0.000 0.906 257 E CA -1.027 55.547 56.400 0.290 0.000 0.761 257 E CB 1.255 31.149 29.700 0.322 0.000 1.116 257 E HN 0.454 nan 8.360 nan 0.000 0.408 258 W N 8.307 129.657 121.300 0.083 0.000 2.516 258 W HA 0.296 4.963 4.660 0.012 0.000 0.293 258 W C -1.743 174.686 176.519 -0.150 0.000 1.006 258 W CA -1.840 55.453 57.345 -0.087 0.000 1.483 258 W CB 0.303 29.665 29.460 -0.164 0.000 1.316 258 W HN 0.593 nan 8.180 nan 0.000 0.411 259 F N 5.831 125.631 119.950 -0.249 0.000 2.612 259 F HA 0.164 4.698 4.527 0.012 0.000 0.389 259 F C -0.421 175.165 175.800 -0.358 0.000 1.055 259 F CA 0.960 58.512 58.000 -0.747 0.000 1.232 259 F CB 0.572 39.210 39.000 -0.603 0.000 1.044 259 F HN 0.138 nan 8.300 nan 0.000 0.560 260 L N 6.734 127.208 121.223 -1.248 0.000 2.356 260 L HA 0.452 4.799 4.340 0.012 0.000 0.277 260 L C 0.621 176.998 176.870 -0.821 0.000 0.996 260 L CA -0.724 53.783 54.840 -0.554 0.000 0.822 260 L CB 1.419 43.410 42.059 -0.112 0.000 1.256 260 L HN 0.783 nan 8.230 nan 0.000 0.413 261 G N 2.163 110.768 108.800 -0.324 0.000 2.553 261 G HA2 0.380 4.348 3.960 0.012 0.000 0.278 261 G HA3 0.380 4.348 3.960 0.012 0.000 0.278 261 G C -0.075 174.801 174.900 -0.041 0.000 1.349 261 G CA -0.497 44.546 45.100 -0.094 0.000 1.037 261 G HN 0.294 nan 8.290 nan 0.000 0.508 262 V N 1.722 121.652 119.914 0.026 0.000 2.599 262 V HA 0.012 4.139 4.120 0.012 0.000 0.300 262 V C 0.937 177.038 176.094 0.012 0.000 1.034 262 V CA 0.425 62.736 62.300 0.018 0.000 1.115 262 V CB 0.733 32.571 31.823 0.024 0.000 0.934 262 V HN 0.911 nan 8.190 nan 0.000 0.485 263 N N 1.324 120.028 118.700 0.006 0.000 2.815 263 N HA -0.204 4.543 4.740 0.012 0.000 0.247 263 N C 0.464 175.985 175.510 0.019 0.000 1.030 263 N CA 1.544 54.599 53.050 0.009 0.000 0.881 263 N CB -0.586 37.905 38.487 0.007 0.000 1.134 263 N HN 0.964 nan 8.380 nan 0.000 0.582 264 E N 0.842 121.053 120.200 0.019 0.000 2.289 264 E HA 0.364 4.722 4.350 0.012 0.000 0.278 264 E C -0.766 175.859 176.600 0.041 0.000 1.032 264 E CA -0.261 56.155 56.400 0.026 0.000 0.854 264 E CB 0.862 30.574 29.700 0.019 0.000 1.046 264 E HN 0.010 nan 8.360 nan 0.000 0.409 265 V N 4.140 124.077 119.914 0.038 0.000 2.462 265 V HA 0.200 4.328 4.120 0.012 0.000 0.288 265 V C -0.539 175.532 176.094 -0.038 0.000 1.020 265 V CA -0.731 61.602 62.300 0.054 0.000 0.857 265 V CB 1.434 33.305 31.823 0.081 0.000 1.013 265 V HN 0.614 nan 8.190 nan 0.000 0.431 266 S N 6.310 121.918 115.700 -0.153 0.000 2.449 266 S HA 0.583 5.060 4.470 0.012 0.000 0.310 266 S C -1.739 172.449 174.600 -0.686 0.000 1.096 266 S CA -1.557 56.488 58.200 -0.258 0.000 1.095 266 S CB 2.156 65.309 63.200 -0.078 0.000 1.007 266 S HN 0.430 nan 8.310 nan 0.000 0.474 267 P HA -0.035 nan 4.420 nan 0.000 0.217 267 P C 1.022 178.106 177.300 -0.359 0.000 1.150 267 P CA 1.021 63.820 63.100 -0.502 0.000 0.832 267 P CB 0.128 31.723 31.700 -0.176 0.000 0.787 268 E N -0.725 119.363 120.200 -0.186 0.000 2.171 268 E HA -0.238 4.120 4.350 0.012 0.000 0.197 268 E C 1.935 178.237 176.600 -0.497 0.000 0.997 268 E CA 1.149 57.511 56.400 -0.063 0.000 0.810 268 E CB -0.441 29.451 29.700 0.319 0.000 0.738 268 E HN 0.305 nan 8.360 nan 0.000 0.467 269 N N -0.418 117.763 118.700 -0.866 0.000 2.080 269 N HA -0.154 4.594 4.740 0.012 0.000 0.189 269 N C 1.680 176.974 175.510 -0.360 0.000 1.036 269 N CA 1.216 53.571 53.050 -1.159 0.000 0.846 269 N CB 0.018 37.896 38.487 -1.015 0.000 1.015 269 N HN 0.258 nan 8.380 nan 0.000 0.423 270 H N -0.161 118.726 119.070 -0.305 0.000 2.352 270 H HA -0.114 4.449 4.556 0.013 0.000 0.299 270 H C 1.973 177.246 175.328 -0.091 0.000 1.097 270 H CA 0.895 56.797 56.048 -0.243 0.000 1.311 270 H CB 0.038 29.583 29.762 -0.361 0.000 1.377 270 H HN 0.149 nan 8.280 nan 0.000 0.504 271 K N 1.008 121.407 120.400 -0.002 0.000 2.002 271 K HA -0.179 4.148 4.320 0.012 0.000 0.209 271 K C 2.142 178.760 176.600 0.030 0.000 1.048 271 K CA 1.366 57.667 56.287 0.022 0.000 0.930 271 K CB -0.418 32.104 32.500 0.037 0.000 0.714 271 K HN 0.188 nan 8.250 nan 0.000 0.438 272 F N 1.468 121.316 119.950 -0.170 0.000 2.091 272 F HA -0.274 4.261 4.527 0.012 0.000 0.299 272 F C 2.124 177.890 175.800 -0.057 0.000 1.103 272 F CA 2.045 59.945 58.000 -0.165 0.000 1.228 272 F CB -0.516 38.305 39.000 -0.297 0.000 0.984 272 F HN 0.119 nan 8.300 nan 0.000 0.477 273 A N 0.154 123.092 122.820 0.198 0.000 1.972 273 A HA -0.198 4.129 4.320 0.012 0.000 0.219 273 A C 1.923 179.537 177.584 0.050 0.000 1.169 273 A CA 1.874 54.008 52.037 0.161 0.000 0.635 273 A CB -0.780 18.390 19.000 0.284 0.000 0.810 273 A HN 0.554 nan 8.150 nan 0.000 0.446 274 N N -0.552 118.178 118.700 0.050 0.000 2.416 274 N HA -0.019 4.728 4.740 0.012 0.000 0.177 274 N C 1.170 176.659 175.510 -0.035 0.000 1.036 274 N CA 1.197 54.260 53.050 0.021 0.000 0.901 274 N CB 0.014 38.523 38.487 0.037 0.000 0.976 274 N HN 0.705 nan 8.380 nan 0.000 0.444 275 E N -0.657 119.495 120.200 -0.080 0.000 2.508 275 E HA 0.070 4.428 4.350 0.012 0.000 0.217 275 E C 1.609 178.116 176.600 -0.154 0.000 0.896 275 E CA 0.027 56.376 56.400 -0.086 0.000 1.118 275 E CB 0.383 30.066 29.700 -0.028 0.000 1.133 275 E HN 0.217 nan 8.360 nan 0.000 0.526 276 S N 0.187 115.700 115.700 -0.313 0.000 2.368 276 S HA -0.028 4.449 4.470 0.012 0.000 0.224 276 S C 1.757 176.208 174.600 -0.249 0.000 1.029 276 S CA 1.037 58.980 58.200 -0.428 0.000 0.988 276 S CB -0.177 62.375 63.200 -1.081 0.000 0.838 276 S HN 0.318 nan 8.310 nan 0.000 0.462 277 G N 1.327 110.006 108.800 -0.201 0.000 2.173 277 G HA2 -0.123 3.845 3.960 0.012 0.000 0.174 277 G HA3 -0.123 3.845 3.960 0.012 0.000 0.174 277 G C -0.299 174.541 174.900 -0.100 0.000 1.025 277 G CA 0.049 45.075 45.100 -0.123 0.000 0.706 277 G HN 1.158 nan 8.290 nan 0.000 0.499 278 M N 0.098 119.626 119.600 -0.120 0.000 2.294 278 M HA 0.632 5.120 4.480 0.012 0.000 0.280 278 M C 0.033 176.329 176.300 -0.007 0.000 1.085 278 M CA -0.205 55.053 55.300 -0.070 0.000 0.969 278 M CB 1.479 34.072 32.600 -0.012 0.000 1.770 278 M HN 0.509 nan 8.290 nan 0.000 0.485 279 S N 4.143 119.818 115.700 -0.041 0.000 2.633 279 S HA 0.809 5.286 4.470 0.012 0.000 0.257 279 S C -0.128 174.550 174.600 0.131 0.000 1.265 279 S CA -0.685 57.523 58.200 0.013 0.000 0.980 279 S CB 0.786 63.951 63.200 -0.058 0.000 1.017 279 S HN 0.744 nan 8.310 nan 0.000 0.577 280 L N -0.905 120.389 121.223 0.117 0.000 2.322 280 L HA 0.501 4.848 4.340 0.012 0.000 0.252 280 L C -1.105 175.872 176.870 0.177 0.000 1.055 280 L CA -1.061 53.906 54.840 0.211 0.000 0.849 280 L CB 1.306 43.503 42.059 0.230 0.000 1.446 280 L HN 0.482 nan 8.230 nan 0.000 0.416 281 L N 1.219 122.610 121.223 0.280 0.000 2.313 281 L HA 0.136 4.484 4.340 0.012 0.000 0.282 281 L C 0.175 177.237 176.870 0.320 0.000 1.092 281 L CA -0.041 54.928 54.840 0.216 0.000 0.831 281 L CB 0.312 42.425 42.059 0.089 0.000 1.159 281 L HN 0.433 nan 8.230 nan 0.000 0.442 282 D N 3.306 123.885 120.400 0.298 0.000 2.540 282 D HA -0.062 4.585 4.640 0.012 0.000 0.237 282 D C 0.910 177.358 176.300 0.247 0.000 1.181 282 D CA 0.416 54.557 54.000 0.237 0.000 1.119 282 D CB 0.203 41.048 40.800 0.075 0.000 1.119 282 D HN 0.336 nan 8.370 nan 0.000 0.498 283 F N 1.207 121.334 119.950 0.295 0.000 2.259 283 F HA -0.033 4.502 4.527 0.013 0.000 0.298 283 F C 2.565 178.384 175.800 0.032 0.000 1.088 283 F CA 0.558 58.644 58.000 0.143 0.000 1.358 283 F CB -0.004 39.017 39.000 0.035 0.000 1.040 283 F HN 0.237 nan 8.300 nan 0.000 0.505 284 R N -0.488 120.178 120.500 0.277 0.000 2.105 284 R HA -0.222 4.126 4.340 0.012 0.000 0.239 284 R C 2.215 178.601 176.300 0.143 0.000 1.135 284 R CA 1.704 57.923 56.100 0.197 0.000 0.967 284 R CB -0.551 29.900 30.300 0.251 0.000 0.861 284 R HN 0.304 nan 8.270 nan 0.000 0.442 285 F N 0.460 120.414 119.950 0.007 0.000 2.039 285 F HA -0.060 4.475 4.527 0.012 0.000 0.294 285 F C 2.169 177.898 175.800 -0.119 0.000 1.130 285 F CA 1.586 59.565 58.000 -0.036 0.000 1.189 285 F CB -0.762 38.207 39.000 -0.052 0.000 0.983 285 F HN 0.071 nan 8.300 nan 0.000 0.471 286 A N 0.374 123.040 122.820 -0.256 0.000 1.903 286 A HA -0.282 4.046 4.320 0.012 0.000 0.219 286 A C 2.159 179.579 177.584 -0.274 0.000 1.191 286 A CA 2.025 53.758 52.037 -0.506 0.000 0.638 286 A CB -1.088 17.136 19.000 -1.294 0.000 0.823 286 A HN 0.595 nan 8.150 nan 0.000 0.451 287 Q N -0.663 119.044 119.800 -0.154 0.000 2.077 287 Q HA -0.233 4.114 4.340 0.012 0.000 0.206 287 Q C 2.152 178.093 176.000 -0.098 0.000 0.989 287 Q CA 2.084 57.853 55.803 -0.057 0.000 0.853 287 Q CB -0.388 28.353 28.738 0.005 0.000 0.907 287 Q HN 0.580 nan 8.270 nan 0.000 0.418 288 K N 0.426 120.739 120.400 -0.146 0.000 2.001 288 K HA -0.043 4.284 4.320 0.012 0.000 0.208 288 K C 2.079 178.521 176.600 -0.263 0.000 1.048 288 K CA 0.713 56.889 56.287 -0.184 0.000 0.932 288 K CB -0.708 31.688 32.500 -0.173 0.000 0.715 288 K HN -0.002 nan 8.250 nan 0.000 0.437 289 V N 1.096 120.794 119.914 -0.360 0.000 2.380 289 V HA -0.302 3.825 4.120 0.012 0.000 0.251 289 V C 2.274 178.373 176.094 0.008 0.000 1.063 289 V CA 2.207 64.350 62.300 -0.262 0.000 1.055 289 V CB -0.371 31.254 31.823 -0.329 0.000 0.657 289 V HN 0.317 nan 8.190 nan 0.000 0.455 290 R N -1.024 119.482 120.500 0.009 0.000 2.153 290 R HA -0.081 4.266 4.340 0.012 0.000 0.218 290 R C 2.331 178.587 176.300 -0.073 0.000 1.072 290 R CA 0.912 57.037 56.100 0.041 0.000 0.990 290 R CB -0.206 30.092 30.300 -0.004 0.000 0.889 290 R HN 0.569 nan 8.270 nan 0.000 0.452 291 Q N -0.225 119.509 119.800 -0.110 0.000 2.172 291 Q HA -0.063 4.284 4.340 0.012 0.000 0.200 291 Q C 1.792 177.694 176.000 -0.163 0.000 0.964 291 Q CA 1.083 56.813 55.803 -0.122 0.000 0.855 291 Q CB 0.434 29.102 28.738 -0.117 0.000 0.918 291 Q HN 0.183 nan 8.270 nan 0.000 0.444 292 V N -0.848 118.903 119.914 -0.271 0.000 2.575 292 V HA -0.093 4.034 4.120 0.012 0.000 0.242 292 V C 1.326 177.185 176.094 -0.391 0.000 1.045 292 V CA 1.245 63.283 62.300 -0.437 0.000 1.065 292 V CB -0.184 31.157 31.823 -0.803 0.000 0.717 292 V HN 0.231 nan 8.190 nan 0.000 0.467 293 F N -0.056 119.885 119.950 -0.016 0.000 2.446 293 F HA 0.249 4.784 4.527 0.013 0.000 0.292 293 F C 2.274 178.148 175.800 0.123 0.000 1.096 293 F CA 0.736 58.785 58.000 0.082 0.000 1.438 293 F CB -0.305 38.795 39.000 0.166 0.000 1.107 293 F HN -0.054 nan 8.300 nan 0.000 0.546 294 R N 0.622 121.214 120.500 0.153 0.000 2.009 294 R HA -0.019 4.329 4.340 0.012 0.000 0.213 294 R C 1.707 177.942 176.300 -0.108 0.000 1.297 294 R CA 1.371 57.375 56.100 -0.160 0.000 1.008 294 R CB -0.398 29.482 30.300 -0.701 0.000 0.852 294 R HN 0.018 nan 8.270 nan 0.000 0.475 295 D N 0.547 120.869 120.400 -0.131 0.000 2.183 295 D HA -0.086 4.561 4.640 0.012 0.000 0.203 295 D C -0.120 176.145 176.300 -0.058 0.000 0.969 295 D CA 0.659 54.605 54.000 -0.090 0.000 0.842 295 D CB -0.084 40.662 40.800 -0.091 0.000 0.957 295 D HN 0.364 nan 8.370 nan 0.000 0.484 296 N N 0.409 119.071 118.700 -0.062 0.000 2.771 296 N HA -0.132 4.615 4.740 0.012 0.000 0.249 296 N C 0.300 175.778 175.510 -0.054 0.000 1.069 296 N CA 0.957 53.972 53.050 -0.057 0.000 0.688 296 N CB -1.609 36.861 38.487 -0.027 0.000 0.928 296 N HN 0.367 nan 8.380 nan 0.000 0.551 297 T N -3.391 111.124 114.554 -0.065 0.000 3.176 297 T HA 0.246 4.603 4.350 0.012 0.000 0.263 297 T C -0.180 174.487 174.700 -0.056 0.000 1.021 297 T CA -0.054 62.015 62.100 -0.051 0.000 0.905 297 T CB 0.816 69.657 68.868 -0.044 0.000 1.057 297 T HN 0.223 nan 8.240 nan 0.000 0.558 298 D N 0.981 121.335 120.400 -0.076 0.000 2.747 298 D HA 0.218 4.865 4.640 0.012 0.000 0.218 298 D C -1.010 175.223 176.300 -0.112 0.000 1.230 298 D CA -0.430 53.522 54.000 -0.080 0.000 0.774 298 D CB 1.676 42.423 40.800 -0.089 0.000 1.667 298 D HN 0.356 nan 8.370 nan 0.000 0.499 299 N N 1.751 120.408 118.700 -0.072 0.000 2.452 299 N HA 0.193 4.940 4.740 0.012 0.000 0.296 299 N C 1.050 176.473 175.510 -0.145 0.000 1.304 299 N CA -0.345 52.654 53.050 -0.085 0.000 0.956 299 N CB 0.127 38.622 38.487 0.014 0.000 1.106 299 N HN 0.233 nan 8.380 nan 0.000 0.555 300 M N -1.126 118.373 119.600 -0.169 0.000 2.132 300 M HA 0.068 4.556 4.480 0.012 0.000 0.263 300 M C 1.399 177.569 176.300 -0.218 0.000 1.065 300 M CA 1.340 56.489 55.300 -0.252 0.000 1.122 300 M CB -1.286 31.140 32.600 -0.290 0.000 1.365 300 M HN 0.559 nan 8.290 nan 0.000 0.411 301 Y N -0.818 119.446 120.300 -0.060 0.000 2.256 301 Y HA -0.106 4.451 4.550 0.012 0.000 0.288 301 Y C 2.383 178.253 175.900 -0.050 0.000 1.155 301 Y CA 1.558 59.632 58.100 -0.044 0.000 1.203 301 Y CB -1.259 37.176 38.460 -0.041 0.000 0.980 301 Y HN 0.330 nan 8.280 nan 0.000 0.530 302 G N -0.616 108.220 108.800 0.060 0.000 2.421 302 G HA2 -0.197 3.771 3.960 0.012 0.000 0.217 302 G HA3 -0.197 3.771 3.960 0.012 0.000 0.217 302 G C 1.615 176.487 174.900 -0.046 0.000 1.143 302 G CA 0.754 45.855 45.100 0.000 0.000 0.784 302 G HN 0.406 nan 8.290 nan 0.000 0.541 303 L N 0.525 121.682 121.223 -0.110 0.000 2.156 303 L HA 0.210 4.558 4.340 0.012 0.000 0.208 303 L C 2.605 179.456 176.870 -0.032 0.000 1.095 303 L CA 2.171 56.926 54.840 -0.142 0.000 0.770 303 L CB -0.196 41.671 42.059 -0.321 0.000 0.914 303 L HN 0.267 nan 8.230 nan 0.000 0.439 304 K N -0.193 120.199 120.400 -0.014 0.000 2.076 304 K HA -0.046 4.282 4.320 0.012 0.000 0.204 304 K C 2.017 178.650 176.600 0.056 0.000 1.051 304 K CA 1.089 57.399 56.287 0.039 0.000 0.949 304 K CB -0.294 32.229 32.500 0.038 0.000 0.726 304 K HN 0.329 nan 8.250 nan 0.000 0.443 305 A N 1.936 124.786 122.820 0.050 0.000 1.948 305 A HA -0.198 4.129 4.320 0.012 0.000 0.220 305 A C 2.215 179.824 177.584 0.042 0.000 1.177 305 A CA 1.755 53.820 52.037 0.047 0.000 0.636 305 A CB -0.645 18.379 19.000 0.040 0.000 0.815 305 A HN 0.536 nan 8.150 nan 0.000 0.449 306 M N -0.452 119.174 119.600 0.044 0.000 2.200 306 M HA -0.017 4.470 4.480 0.012 0.000 0.265 306 M C 1.905 178.264 176.300 0.099 0.000 1.066 306 M CA 1.524 56.862 55.300 0.065 0.000 1.127 306 M CB -0.743 31.895 32.600 0.063 0.000 1.379 306 M HN 0.433 nan 8.290 nan 0.000 0.420 307 L N -0.061 121.228 121.223 0.110 0.000 2.056 307 L HA -0.196 4.151 4.340 0.012 0.000 0.207 307 L C 2.204 179.124 176.870 0.085 0.000 1.078 307 L CA 1.399 56.311 54.840 0.120 0.000 0.749 307 L CB -0.563 41.571 42.059 0.124 0.000 0.901 307 L HN 0.304 nan 8.230 nan 0.000 0.433 308 E N -0.326 119.915 120.200 0.068 0.000 2.158 308 E HA -0.097 4.261 4.350 0.012 0.000 0.191 308 E C 2.114 178.732 176.600 0.031 0.000 0.982 308 E CA 0.726 57.157 56.400 0.051 0.000 0.823 308 E CB -0.123 29.606 29.700 0.049 0.000 0.766 308 E HN 0.499 nan 8.360 nan 0.000 0.468 309 G N 1.089 109.905 108.800 0.028 0.000 2.575 309 G HA2 -0.339 3.628 3.960 0.012 0.000 0.215 309 G HA3 -0.339 3.628 3.960 0.012 0.000 0.215 309 G C 1.710 176.584 174.900 -0.043 0.000 1.262 309 G CA 1.392 46.489 45.100 -0.005 0.000 0.807 309 G HN 0.407 nan 8.290 nan 0.000 0.567 310 S N 1.514 117.210 115.700 -0.005 0.000 2.374 310 S HA -0.035 4.442 4.470 0.012 0.000 0.227 310 S C 2.601 177.231 174.600 0.050 0.000 1.037 310 S CA 1.876 60.082 58.200 0.011 0.000 1.024 310 S CB -0.760 62.568 63.200 0.213 0.000 0.861 310 S HN 0.796 nan 8.310 nan 0.000 0.456 311 A N 1.654 124.513 122.820 0.066 0.000 2.032 311 A HA 0.244 4.571 4.320 0.012 0.000 0.221 311 A C 2.358 179.955 177.584 0.023 0.000 1.165 311 A CA 1.781 53.856 52.037 0.063 0.000 0.645 311 A CB -1.133 17.902 19.000 0.059 0.000 0.807 311 A HN 0.965 nan 8.150 nan 0.000 0.453 312 A N -1.264 121.543 122.820 -0.022 0.000 2.147 312 A HA 0.098 4.425 4.320 0.012 0.000 0.211 312 A C 1.589 179.110 177.584 -0.105 0.000 1.160 312 A CA 1.059 53.068 52.037 -0.046 0.000 0.781 312 A CB 0.004 18.983 19.000 -0.036 0.000 0.842 312 A HN 0.416 nan 8.150 nan 0.000 0.475 313 D N -1.333 118.934 120.400 -0.222 0.000 2.259 313 D HA 0.063 4.710 4.640 0.012 0.000 0.216 313 D C -0.426 175.635 176.300 -0.398 0.000 0.961 313 D CA 0.683 54.433 54.000 -0.417 0.000 0.878 313 D CB -0.093 40.189 40.800 -0.864 0.000 1.009 313 D HN 0.419 nan 8.370 nan 0.000 0.490 314 Y N 1.070 121.276 120.300 -0.157 0.000 2.365 314 Y HA 0.338 4.895 4.550 0.013 0.000 0.340 314 Y C 1.393 177.262 175.900 -0.052 0.000 1.016 314 Y CA -0.679 57.371 58.100 -0.083 0.000 1.196 314 Y CB 1.207 39.632 38.460 -0.059 0.000 1.167 314 Y HN -0.123 nan 8.280 nan 0.000 0.509 315 A N 3.285 126.166 122.820 0.102 0.000 1.917 315 A HA -0.217 4.111 4.320 0.012 0.000 0.219 315 A C 0.694 178.285 177.584 0.011 0.000 1.182 315 A CA 1.495 53.548 52.037 0.026 0.000 0.633 315 A CB -0.340 18.663 19.000 0.005 0.000 0.819 315 A HN 0.808 nan 8.150 nan 0.000 0.448 316 Q N -1.207 118.630 119.800 0.063 0.000 2.907 316 Q HA 0.434 4.781 4.340 0.012 0.000 0.262 316 Q C 0.350 176.409 176.000 0.098 0.000 0.997 316 Q CA 0.060 55.902 55.803 0.064 0.000 0.797 316 Q CB 1.250 30.033 28.738 0.074 0.000 1.228 316 Q HN 0.173 nan 8.270 nan 0.000 0.466 317 V N 1.548 121.522 119.914 0.100 0.000 2.392 317 V HA -0.293 3.834 4.120 0.012 0.000 0.249 317 V C 1.225 177.330 176.094 0.018 0.000 1.059 317 V CA 2.256 64.588 62.300 0.052 0.000 1.051 317 V CB 0.099 31.975 31.823 0.088 0.000 0.658 317 V HN 0.769 nan 8.190 nan 0.000 0.455 318 D N -0.318 120.139 120.400 0.095 0.000 2.265 318 D HA -0.164 4.483 4.640 0.012 0.000 0.208 318 D C 1.384 177.773 176.300 0.149 0.000 0.977 318 D CA 1.474 55.544 54.000 0.118 0.000 0.871 318 D CB -0.097 40.846 40.800 0.238 0.000 0.925 318 D HN 0.558 nan 8.370 nan 0.000 0.485 319 D N 0.352 120.873 120.400 0.201 0.000 2.340 319 D HA -0.010 4.637 4.640 0.012 0.000 0.220 319 D C 0.213 176.598 176.300 0.143 0.000 1.039 319 D CA 0.302 54.478 54.000 0.293 0.000 0.866 319 D CB 0.347 41.341 40.800 0.322 0.000 0.913 319 D HN 0.127 nan 8.370 nan 0.000 0.523 320 Q N -0.028 119.757 119.800 -0.024 0.000 2.261 320 Q HA 0.240 4.587 4.340 0.012 0.000 0.252 320 Q C -0.494 175.436 176.000 -0.116 0.000 0.915 320 Q CA -0.310 55.410 55.803 -0.138 0.000 0.915 320 Q CB 1.991 30.526 28.738 -0.339 0.000 1.204 320 Q HN -0.169 nan 8.270 nan 0.000 0.421 321 V N 3.745 123.587 119.914 -0.119 0.000 2.372 321 V HA 0.229 4.357 4.120 0.012 0.000 0.261 321 V C 0.571 176.682 176.094 0.029 0.000 1.055 321 V CA -0.437 61.772 62.300 -0.152 0.000 0.930 321 V CB 0.016 31.598 31.823 -0.402 0.000 1.031 321 V HN 0.935 nan 8.190 nan 0.000 0.479 322 T N 2.716 117.260 114.554 -0.016 0.000 2.788 322 T HA 0.837 5.194 4.350 0.012 0.000 0.280 322 T C -0.496 174.492 174.700 0.480 0.000 0.984 322 T CA -0.370 61.770 62.100 0.067 0.000 0.972 322 T CB 1.544 70.094 68.868 -0.529 0.000 1.039 322 T HN 0.969 nan 8.240 nan 0.000 0.530 323 F N -1.992 118.049 119.950 0.153 0.000 3.069 323 F HA 0.388 4.923 4.527 0.012 0.000 0.333 323 F C -0.431 175.508 175.800 0.233 0.000 1.111 323 F CA -1.176 56.921 58.000 0.163 0.000 0.868 323 F CB 0.043 39.102 39.000 0.099 0.000 1.409 323 F HN 0.587 nan 8.300 nan 0.000 0.450 324 I N -1.603 119.086 120.570 0.199 0.000 4.403 324 I HA 0.538 4.715 4.170 0.012 0.000 0.331 324 I C -1.039 175.269 176.117 0.318 0.000 1.327 324 I CA 0.135 61.531 61.300 0.160 0.000 1.175 324 I CB 0.840 38.911 38.000 0.119 0.000 1.165 324 I HN 0.657 nan 8.210 nan 0.000 0.413 325 D N 0.537 121.206 120.400 0.448 0.000 2.720 325 D HA 0.366 5.014 4.640 0.012 0.000 0.239 325 D C -1.080 175.407 176.300 0.311 0.000 1.218 325 D CA -0.646 53.602 54.000 0.412 0.000 0.748 325 D CB 0.777 41.798 40.800 0.369 0.000 1.387 325 D HN 0.234 nan 8.370 nan 0.000 0.438 326 N N -1.621 117.101 118.700 0.037 0.000 3.522 326 N HA 0.211 4.959 4.740 0.012 0.000 0.328 326 N C 0.785 175.955 175.510 -0.567 0.000 1.623 326 N CA -0.618 52.157 53.050 -0.458 0.000 0.812 326 N CB -0.217 38.058 38.487 -0.353 0.000 2.008 326 N HN 0.546 nan 8.380 nan 0.000 0.601 327 H N -1.638 117.151 119.070 -0.467 0.000 2.521 327 H HA 0.132 4.695 4.556 0.012 0.000 0.286 327 H C -0.612 174.750 175.328 0.057 0.000 1.034 327 H CA 0.879 56.858 56.048 -0.116 0.000 1.278 327 H CB -0.372 29.565 29.762 0.292 0.000 1.386 327 H HN 0.468 nan 8.280 nan 0.000 0.567 328 D N 0.960 121.241 120.400 -0.197 0.000 2.358 328 D HA 0.167 4.815 4.640 0.012 0.000 0.224 328 D C 0.801 177.181 176.300 0.134 0.000 1.123 328 D CA 0.156 54.155 54.000 -0.002 0.000 0.833 328 D CB 0.257 41.106 40.800 0.083 0.000 0.946 328 D HN 0.582 nan 8.370 nan 0.000 0.505 329 M N -1.298 118.377 119.600 0.125 0.000 2.603 329 M HA 0.326 4.813 4.480 0.012 0.000 0.275 329 M C -1.025 175.350 176.300 0.125 0.000 1.226 329 M CA -1.095 54.302 55.300 0.161 0.000 0.870 329 M CB 2.130 34.886 32.600 0.259 0.000 1.716 329 M HN -0.256 nan 8.290 nan 0.000 0.482 330 E N 1.815 122.075 120.200 0.100 0.000 2.413 330 E HA 0.205 4.563 4.350 0.012 0.000 0.263 330 E C -0.848 175.824 176.600 0.120 0.000 1.015 330 E CA -0.533 55.917 56.400 0.083 0.000 0.916 330 E CB 0.518 30.243 29.700 0.041 0.000 0.947 330 E HN 0.563 nan 8.360 nan 0.000 0.440 331 R N 2.050 122.631 120.500 0.135 0.000 2.583 331 R HA -0.067 4.281 4.340 0.012 0.000 0.274 331 R C 0.682 177.111 176.300 0.214 0.000 0.998 331 R CA -0.093 56.125 56.100 0.196 0.000 1.081 331 R CB -0.050 30.346 30.300 0.160 0.000 0.940 331 R HN 0.674 nan 8.270 nan 0.000 0.413 332 F N 2.095 122.127 119.950 0.137 0.000 2.087 332 F HA -0.248 4.286 4.527 0.012 0.000 0.299 332 F C 1.302 177.195 175.800 0.155 0.000 1.100 332 F CA 1.880 59.960 58.000 0.133 0.000 1.226 332 F CB -0.369 38.711 39.000 0.133 0.000 0.983 332 F HN 0.610 nan 8.300 nan 0.000 0.479 333 H N 0.927 120.224 119.070 0.379 0.000 3.015 333 H HA 0.463 5.027 4.556 0.012 0.000 0.268 333 H C -0.069 175.338 175.328 0.130 0.000 1.113 333 H CA -0.603 55.614 56.048 0.281 0.000 1.479 333 H CB -0.030 29.903 29.762 0.285 0.000 1.493 333 H HN 0.297 nan 8.280 nan 0.000 0.486 334 A N 3.515 126.163 122.820 -0.286 0.000 2.462 334 A HA 0.133 4.461 4.320 0.012 0.000 0.243 334 A C 1.413 178.676 177.584 -0.534 0.000 1.076 334 A CA 0.187 52.040 52.037 -0.305 0.000 0.773 334 A CB 0.048 18.938 19.000 -0.183 0.000 1.010 334 A HN 0.940 nan 8.150 nan 0.000 0.493 335 S N 0.865 116.399 115.700 -0.276 0.000 2.520 335 S HA -0.218 4.259 4.470 0.012 0.000 0.249 335 S C 0.789 175.299 174.600 -0.151 0.000 0.983 335 S CA 1.604 59.691 58.200 -0.190 0.000 0.958 335 S CB -0.681 62.468 63.200 -0.085 0.000 0.750 335 S HN 0.997 nan 8.310 nan 0.000 0.527 336 N N -0.586 118.013 118.700 -0.168 0.000 2.110 336 N HA 0.420 5.168 4.740 0.012 0.000 0.230 336 N C -0.245 175.250 175.510 -0.026 0.000 1.353 336 N CA -0.078 52.934 53.050 -0.064 0.000 0.807 336 N CB 0.440 38.903 38.487 -0.039 0.000 1.244 336 N HN 0.268 nan 8.380 nan 0.000 0.504 337 A N 0.643 123.429 122.820 -0.056 0.000 2.302 337 A HA 0.362 4.690 4.320 0.012 0.000 0.285 337 A C 0.041 177.762 177.584 0.228 0.000 1.105 337 A CA -0.559 51.519 52.037 0.069 0.000 0.816 337 A CB 0.376 19.410 19.000 0.056 0.000 1.067 337 A HN 0.356 nan 8.150 nan 0.000 0.489 338 N N 0.625 119.425 118.700 0.167 0.000 2.365 338 N HA -0.065 4.683 4.740 0.012 0.000 0.265 338 N C 1.072 176.711 175.510 0.215 0.000 1.288 338 N CA 0.259 53.401 53.050 0.153 0.000 0.869 338 N CB 0.340 38.892 38.487 0.108 0.000 1.071 338 N HN 0.595 nan 8.380 nan 0.000 0.480 339 R N 2.477 123.065 120.500 0.147 0.000 2.377 339 R HA -0.123 4.224 4.340 0.012 0.000 0.207 339 R C 1.454 177.854 176.300 0.167 0.000 1.075 339 R CA 0.576 56.740 56.100 0.107 0.000 1.035 339 R CB -0.010 30.162 30.300 -0.213 0.000 0.857 339 R HN 0.415 nan 8.270 nan 0.000 0.475 340 R N 1.967 122.541 120.500 0.123 0.000 2.119 340 R HA 0.021 4.368 4.340 0.012 0.000 0.222 340 R C 1.523 177.880 176.300 0.095 0.000 1.088 340 R CA 1.271 57.424 56.100 0.089 0.000 0.984 340 R CB 0.004 30.342 30.300 0.063 0.000 0.884 340 R HN 0.030 nan 8.270 nan 0.000 0.447 341 K N 0.414 120.918 120.400 0.174 0.000 2.152 341 K HA -0.179 4.149 4.320 0.012 0.000 0.206 341 K C 1.977 178.737 176.600 0.266 0.000 1.048 341 K CA 1.682 58.120 56.287 0.252 0.000 0.933 341 K CB -0.311 32.390 32.500 0.334 0.000 0.721 341 K HN 0.291 nan 8.250 nan 0.000 0.447 342 L N 1.193 122.551 121.223 0.225 0.000 2.084 342 L HA -0.089 4.259 4.340 0.012 0.000 0.202 342 L C 1.960 178.684 176.870 -0.244 0.000 1.074 342 L CA 1.301 56.076 54.840 -0.108 0.000 0.757 342 L CB -0.155 41.930 42.059 0.043 0.000 0.918 342 L HN 0.034 nan 8.230 nan 0.000 0.444 343 E N -0.209 119.942 120.200 -0.083 0.000 2.147 343 E HA -0.315 4.043 4.350 0.012 0.000 0.199 343 E C 2.193 178.699 176.600 -0.158 0.000 1.005 343 E CA 1.913 58.257 56.400 -0.093 0.000 0.810 343 E CB -0.189 29.515 29.700 0.008 0.000 0.736 343 E HN 0.658 nan 8.360 nan 0.000 0.460 344 Q N -0.234 119.445 119.800 -0.203 0.000 2.123 344 Q HA -0.050 4.298 4.340 0.012 0.000 0.199 344 Q C 2.297 178.000 176.000 -0.495 0.000 0.966 344 Q CA 0.998 56.604 55.803 -0.329 0.000 0.845 344 Q CB -0.071 28.427 28.738 -0.400 0.000 0.907 344 Q HN 0.276 nan 8.270 nan 0.000 0.439 345 A N 0.809 123.304 122.820 -0.542 0.000 2.019 345 A HA -0.140 4.188 4.320 0.012 0.000 0.219 345 A C 1.984 179.447 177.584 -0.201 0.000 1.164 345 A CA 0.960 52.721 52.037 -0.459 0.000 0.644 345 A CB -0.446 18.183 19.000 -0.618 0.000 0.805 345 A HN 0.274 nan 8.150 nan 0.000 0.449 346 L N -1.284 119.803 121.223 -0.227 0.000 2.095 346 L HA -0.070 4.277 4.340 0.012 0.000 0.204 346 L C 2.982 179.811 176.870 -0.068 0.000 1.080 346 L CA 0.945 55.707 54.840 -0.130 0.000 0.759 346 L CB -0.430 41.534 42.059 -0.158 0.000 0.914 346 L HN 0.426 nan 8.230 nan 0.000 0.439 347 A N -0.760 122.013 122.820 -0.078 0.000 2.121 347 A HA -0.240 4.088 4.320 0.012 0.000 0.218 347 A C 1.985 179.610 177.584 0.068 0.000 1.154 347 A CA 1.199 53.214 52.037 -0.037 0.000 0.679 347 A CB -0.518 18.443 19.000 -0.065 0.000 0.795 347 A HN 0.469 nan 8.150 nan 0.000 0.458 348 F N 0.364 120.280 119.950 -0.057 0.000 2.262 348 F HA 0.020 4.555 4.527 0.012 0.000 0.292 348 F C 2.285 178.168 175.800 0.137 0.000 1.081 348 F CA 1.905 59.952 58.000 0.079 0.000 1.355 348 F CB -0.379 38.631 39.000 0.017 0.000 1.069 348 F HN 0.137 nan 8.300 nan 0.000 0.506 349 T N 1.827 116.396 114.554 0.025 0.000 2.770 349 T HA -0.095 4.262 4.350 0.012 0.000 0.263 349 T C 2.197 176.802 174.700 -0.158 0.000 1.039 349 T CA 1.556 63.633 62.100 -0.037 0.000 1.142 349 T CB -0.583 68.400 68.868 0.193 0.000 0.868 349 T HN 0.211 nan 8.240 nan 0.000 0.435 350 L N 1.511 122.679 121.223 -0.091 0.000 2.187 350 L HA -0.105 4.242 4.340 0.012 0.000 0.213 350 L C 2.715 179.509 176.870 -0.127 0.000 1.100 350 L CA 1.571 56.349 54.840 -0.103 0.000 0.765 350 L CB -0.864 41.146 42.059 -0.082 0.000 0.904 350 L HN 0.490 nan 8.230 nan 0.000 0.437 351 T N -5.663 108.823 114.554 -0.114 0.000 3.086 351 T HA 0.148 4.506 4.350 0.012 0.000 0.250 351 T C 0.806 175.454 174.700 -0.086 0.000 1.074 351 T CA -0.253 61.807 62.100 -0.066 0.000 0.988 351 T CB 0.344 69.237 68.868 0.040 0.000 0.988 351 T HN 0.015 nan 8.240 nan 0.000 0.530 352 S N 1.361 116.903 115.700 -0.263 0.000 2.767 352 S HA 0.584 5.062 4.470 0.012 0.000 0.300 352 S C 0.321 174.749 174.600 -0.287 0.000 1.123 352 S CA -1.119 56.882 58.200 -0.333 0.000 0.992 352 S CB 1.390 64.212 63.200 -0.630 0.000 1.138 352 S HN 0.629 nan 8.310 nan 0.000 0.550 353 R N 0.444 120.796 120.500 -0.247 0.000 2.980 353 R HA 0.376 4.723 4.340 0.012 0.000 0.285 353 R C 0.651 176.793 176.300 -0.264 0.000 1.072 353 R CA 0.906 56.892 56.100 -0.190 0.000 1.203 353 R CB -1.094 29.145 30.300 -0.101 0.000 1.163 353 R HN 0.963 nan 8.270 nan 0.000 0.545 354 G N -0.769 107.924 108.800 -0.178 0.000 2.632 354 G HA2 -0.228 3.739 3.960 0.012 0.000 0.224 354 G HA3 -0.228 3.739 3.960 0.012 0.000 0.224 354 G C -1.161 173.630 174.900 -0.181 0.000 1.341 354 G CA -0.219 44.773 45.100 -0.180 0.000 0.880 354 G HN 0.765 nan 8.290 nan 0.000 0.566 355 V N 1.910 121.720 119.914 -0.174 0.000 2.325 355 V HA 0.495 4.622 4.120 0.012 0.000 0.280 355 V C -2.077 173.934 176.094 -0.139 0.000 1.016 355 V CA -1.130 61.067 62.300 -0.172 0.000 0.818 355 V CB 1.718 33.421 31.823 -0.201 0.000 1.019 355 V HN 0.661 nan 8.190 nan 0.000 0.434 356 P HA 0.255 nan 4.420 nan 0.000 0.263 356 P C -0.477 176.848 177.300 0.042 0.000 1.195 356 P CA 0.353 63.423 63.100 -0.049 0.000 0.762 356 P CB 0.720 32.380 31.700 -0.067 0.000 0.799 357 A N 4.870 127.769 122.820 0.131 0.000 2.311 357 A HA 0.548 4.875 4.320 0.012 0.000 0.306 357 A C -0.333 177.394 177.584 0.238 0.000 1.189 357 A CA -0.719 51.453 52.037 0.226 0.000 0.791 357 A CB 0.318 19.500 19.000 0.303 0.000 1.172 357 A HN 0.478 nan 8.150 nan 0.000 0.481 358 I N 3.386 124.073 120.570 0.195 0.000 2.297 358 I HA 0.122 4.299 4.170 0.012 0.000 0.291 358 I C -0.544 175.573 176.117 -0.000 0.000 1.033 358 I CA -0.582 60.795 61.300 0.129 0.000 1.253 358 I CB 0.668 38.757 38.000 0.147 0.000 1.396 358 I HN 0.700 nan 8.210 nan 0.000 0.476 359 Y N 9.057 129.309 120.300 -0.081 0.000 2.632 359 Y HA -0.055 4.503 4.550 0.013 0.000 0.329 359 Y C 0.125 175.852 175.900 -0.290 0.000 1.174 359 Y CA -0.907 57.107 58.100 -0.143 0.000 1.469 359 Y CB -0.033 38.413 38.460 -0.023 0.000 1.242 359 Y HN 0.443 nan 8.280 nan 0.000 0.540 360 Y N 4.438 124.340 120.300 -0.663 0.000 2.881 360 Y HA 0.311 4.869 4.550 0.012 0.000 0.335 360 Y C 1.003 176.704 175.900 -0.331 0.000 1.263 360 Y CA -0.007 57.780 58.100 -0.522 0.000 1.572 360 Y CB 0.001 38.362 38.460 -0.165 0.000 1.237 360 Y HN 0.886 nan 8.280 nan 0.000 0.568 361 G N 2.383 111.086 108.800 -0.162 0.000 2.259 361 G HA2 -0.333 3.635 3.960 0.012 0.000 0.217 361 G HA3 -0.333 3.635 3.960 0.012 0.000 0.217 361 G C 0.917 175.727 174.900 -0.151 0.000 1.001 361 G CA 0.185 45.138 45.100 -0.245 0.000 0.627 361 G HN 0.781 nan 8.290 nan 0.000 0.501 362 T N 1.777 116.245 114.554 -0.142 0.000 2.803 362 T HA -0.074 4.284 4.350 0.012 0.000 0.269 362 T C 2.143 176.717 174.700 -0.210 0.000 1.052 362 T CA 1.948 63.971 62.100 -0.128 0.000 1.136 362 T CB -0.222 68.599 68.868 -0.079 0.000 0.864 362 T HN 0.780 nan 8.240 nan 0.000 0.467 363 E N 0.482 120.646 120.200 -0.060 0.000 2.427 363 E HA -0.082 4.275 4.350 0.012 0.000 0.196 363 E C 1.186 177.772 176.600 -0.024 0.000 1.028 363 E CA 0.676 57.048 56.400 -0.048 0.000 0.864 363 E CB -0.018 29.801 29.700 0.198 0.000 0.813 363 E HN 0.356 nan 8.360 nan 0.000 0.514 364 Q N -0.029 119.773 119.800 0.003 0.000 2.198 364 Q HA 0.094 4.442 4.340 0.012 0.000 0.209 364 Q C -0.648 175.454 176.000 0.170 0.000 0.848 364 Q CA -0.455 55.410 55.803 0.103 0.000 0.974 364 Q CB -0.367 28.397 28.738 0.042 0.000 1.115 364 Q HN 0.317 nan 8.270 nan 0.000 0.494 365 Y N -0.695 119.594 120.300 -0.019 0.000 3.168 365 Y HA -0.287 4.271 4.550 0.012 0.000 0.207 365 Y C 0.370 176.316 175.900 0.077 0.000 1.280 365 Y CA 0.201 58.258 58.100 -0.071 0.000 1.235 365 Y CB -2.027 36.313 38.460 -0.199 0.000 1.370 365 Y HN 0.200 nan 8.280 nan 0.000 0.537 366 M N 0.577 120.246 119.600 0.115 0.000 2.243 366 M HA 0.293 4.780 4.480 0.012 0.000 0.341 366 M C 0.812 177.209 176.300 0.161 0.000 1.130 366 M CA 0.658 56.008 55.300 0.083 0.000 1.162 366 M CB 0.983 33.533 32.600 -0.084 0.000 1.497 366 M HN 0.451 nan 8.290 nan 0.000 0.456 367 S N 0.925 116.692 115.700 0.112 0.000 2.745 367 S HA 1.021 5.499 4.470 0.012 0.000 0.306 367 S C -0.271 174.346 174.600 0.029 0.000 1.137 367 S CA -0.218 58.027 58.200 0.076 0.000 0.900 367 S CB 2.232 65.445 63.200 0.021 0.000 1.176 367 S HN 1.196 nan 8.310 nan 0.000 0.520 368 G N -1.181 107.628 108.800 0.016 0.000 2.402 368 G HA2 0.463 4.430 3.960 0.012 0.000 0.666 368 G HA3 0.463 4.430 3.960 0.012 0.000 0.666 368 G C -0.104 174.810 174.900 0.022 0.000 1.402 368 G CA -0.324 44.782 45.100 0.010 0.000 0.920 368 G HN 1.269 nan 8.290 nan 0.000 0.651 369 G N -0.850 107.958 108.800 0.014 0.000 2.666 369 G HA2 0.809 4.776 3.960 0.012 0.000 0.207 369 G HA3 0.809 4.776 3.960 0.012 0.000 0.207 369 G C 1.069 175.988 174.900 0.031 0.000 1.481 369 G CA 1.080 46.191 45.100 0.018 0.000 1.071 369 G HN 1.998 nan 8.290 nan 0.000 0.572 370 T N -1.680 112.888 114.554 0.023 0.000 2.726 370 T HA 0.203 4.560 4.350 0.012 0.000 0.294 370 T C 0.283 174.998 174.700 0.026 0.000 1.013 370 T CA 0.076 62.190 62.100 0.024 0.000 0.996 370 T CB 0.791 69.660 68.868 0.002 0.000 1.016 370 T HN 0.409 nan 8.240 nan 0.000 0.529 371 D N 1.963 122.382 120.400 0.032 0.000 2.793 371 D HA 0.031 4.679 4.640 0.012 0.000 0.230 371 D C -1.485 174.841 176.300 0.043 0.000 1.139 371 D CA -1.087 52.945 54.000 0.053 0.000 0.838 371 D CB 0.654 41.484 40.800 0.049 0.000 1.149 371 D HN 0.462 nan 8.370 nan 0.000 0.526 372 P HA 0.190 nan 4.420 nan 0.000 0.290 372 P C 0.395 177.703 177.300 0.014 0.000 1.447 372 P CA -0.304 62.836 63.100 0.067 0.000 1.127 372 P CB 0.648 32.408 31.700 0.100 0.000 1.555 373 D N 1.635 122.041 120.400 0.010 0.000 2.280 373 D HA -0.147 4.500 4.640 0.012 0.000 0.206 373 D C 1.162 177.462 176.300 -0.000 0.000 0.988 373 D CA 1.114 55.112 54.000 -0.003 0.000 0.886 373 D CB -0.127 40.673 40.800 0.000 0.000 0.914 373 D HN 0.346 nan 8.370 nan 0.000 0.473 374 N N -0.116 118.598 118.700 0.022 0.000 2.353 374 N HA -0.051 4.696 4.740 0.012 0.000 0.185 374 N C 0.524 176.053 175.510 0.032 0.000 1.098 374 N CA 0.129 53.209 53.050 0.051 0.000 0.872 374 N CB -0.080 38.476 38.487 0.116 0.000 0.970 374 N HN -0.023 nan 8.380 nan 0.000 0.467 375 R N 0.422 120.905 120.500 -0.028 0.000 2.935 375 R HA 0.476 4.824 4.340 0.012 0.000 0.354 375 R C -0.205 176.078 176.300 -0.028 0.000 1.206 375 R CA -0.251 55.799 56.100 -0.083 0.000 1.082 375 R CB 0.646 30.753 30.300 -0.322 0.000 1.431 375 R HN 0.196 nan 8.270 nan 0.000 0.582 376 A N 0.555 123.362 122.820 -0.020 0.000 2.313 376 A HA 0.316 4.643 4.320 0.012 0.000 0.261 376 A C 0.084 177.701 177.584 0.055 0.000 1.090 376 A CA -0.454 51.569 52.037 -0.022 0.000 0.807 376 A CB 0.411 19.385 19.000 -0.043 0.000 1.055 376 A HN 0.338 nan 8.150 nan 0.000 0.492 377 R N 0.369 120.878 120.500 0.015 0.000 2.537 377 R HA 0.101 4.448 4.340 0.012 0.000 0.280 377 R C -0.113 176.193 176.300 0.010 0.000 1.058 377 R CA -0.133 55.989 56.100 0.037 0.000 1.057 377 R CB 0.113 30.401 30.300 -0.020 0.000 0.973 377 R HN 0.690 nan 8.270 nan 0.000 0.438 378 I N 7.008 127.601 120.570 0.038 0.000 2.741 378 I HA -0.042 4.135 4.170 0.012 0.000 0.288 378 I C -1.523 174.422 176.117 -0.287 0.000 1.192 378 I CA -1.029 60.200 61.300 -0.118 0.000 1.426 378 I CB 1.000 38.872 38.000 -0.213 0.000 1.367 378 I HN 0.602 nan 8.210 nan 0.000 0.563 379 P HA -0.028 nan 4.420 nan 0.000 0.213 379 P C -0.550 176.548 177.300 -0.336 0.000 1.170 379 P CA 0.825 63.792 63.100 -0.221 0.000 0.889 379 P CB 0.074 31.702 31.700 -0.120 0.000 0.782 380 S N -2.461 113.000 115.700 -0.399 0.000 2.627 380 S HA 0.517 4.994 4.470 0.012 0.000 0.283 380 S C -0.513 173.686 174.600 -0.670 0.000 1.127 380 S CA -0.625 57.313 58.200 -0.437 0.000 0.863 380 S CB 0.726 63.824 63.200 -0.171 0.000 1.121 380 S HN -0.144 nan 8.310 nan 0.000 0.479 381 F N 1.612 121.397 119.950 -0.275 0.000 2.750 381 F HA 0.408 4.943 4.527 0.012 0.000 0.297 381 F C 1.443 177.165 175.800 -0.130 0.000 1.138 381 F CA -0.521 57.136 58.000 -0.570 0.000 1.346 381 F CB 0.168 38.746 39.000 -0.702 0.000 0.965 381 F HN 0.699 nan 8.300 nan 0.000 0.514 382 S N 0.446 116.185 115.700 0.065 0.000 2.560 382 S HA 0.095 4.572 4.470 0.012 0.000 0.284 382 S C 1.038 175.612 174.600 -0.045 0.000 1.327 382 S CA 0.178 58.402 58.200 0.039 0.000 1.055 382 S CB 0.539 63.747 63.200 0.015 0.000 0.868 382 S HN 0.371 nan 8.310 nan 0.000 0.506 383 T N 0.578 114.981 114.554 -0.251 0.000 3.266 383 T HA 0.266 4.623 4.350 0.012 0.000 0.278 383 T C 0.963 175.425 174.700 -0.395 0.000 1.010 383 T CA 0.010 61.631 62.100 -0.800 0.000 0.909 383 T CB -0.211 68.260 68.868 -0.661 0.000 1.122 383 T HN 0.707 nan 8.240 nan 0.000 0.536 384 S N 0.370 115.984 115.700 -0.145 0.000 2.603 384 S HA 0.152 4.630 4.470 0.012 0.000 0.232 384 S C 0.985 175.618 174.600 0.055 0.000 1.016 384 S CA -0.126 58.060 58.200 -0.023 0.000 0.976 384 S CB -0.336 62.855 63.200 -0.015 0.000 0.921 384 S HN 0.601 nan 8.310 nan 0.000 0.516 385 T N -0.085 114.536 114.554 0.110 0.000 2.918 385 T HA 0.285 4.642 4.350 0.012 0.000 0.302 385 T C 1.241 176.088 174.700 0.246 0.000 1.045 385 T CA 0.261 62.489 62.100 0.213 0.000 1.114 385 T CB 0.717 69.805 68.868 0.368 0.000 0.965 385 T HN 0.104 nan 8.240 nan 0.000 0.540 386 T N 2.437 117.138 114.554 0.245 0.000 2.665 386 T HA -0.140 4.217 4.350 0.012 0.000 0.268 386 T C 2.397 177.202 174.700 0.175 0.000 1.035 386 T CA 1.725 63.941 62.100 0.193 0.000 1.151 386 T CB -0.909 68.058 68.868 0.165 0.000 0.862 386 T HN 0.862 nan 8.240 nan 0.000 0.438 387 A N 0.104 123.043 122.820 0.198 0.000 1.978 387 A HA -0.124 4.203 4.320 0.012 0.000 0.220 387 A C 2.072 179.649 177.584 -0.011 0.000 1.170 387 A CA 1.581 53.583 52.037 -0.058 0.000 0.636 387 A CB -0.905 17.791 19.000 -0.508 0.000 0.810 387 A HN 0.636 nan 8.150 nan 0.000 0.448 388 Y N 0.108 120.395 120.300 -0.022 0.000 2.220 388 Y HA -0.154 4.404 4.550 0.012 0.000 0.291 388 Y C 2.497 178.377 175.900 -0.034 0.000 1.129 388 Y CA 2.131 60.214 58.100 -0.027 0.000 1.161 388 Y CB -0.336 38.130 38.460 0.011 0.000 0.997 388 Y HN 0.419 nan 8.280 nan 0.000 0.522 389 Q N -0.816 119.109 119.800 0.208 0.000 2.084 389 Q HA -0.167 4.180 4.340 0.012 0.000 0.202 389 Q C 2.313 178.310 176.000 -0.006 0.000 0.978 389 Q CA 2.006 57.877 55.803 0.112 0.000 0.844 389 Q CB -0.283 28.518 28.738 0.106 0.000 0.898 389 Q HN 0.357 nan 8.270 nan 0.000 0.426 390 V N 0.955 120.859 119.914 -0.017 0.000 2.252 390 V HA -0.300 3.827 4.120 0.012 0.000 0.249 390 V C 2.079 178.113 176.094 -0.100 0.000 1.056 390 V CA 1.865 64.131 62.300 -0.056 0.000 1.022 390 V CB -0.456 31.333 31.823 -0.057 0.000 0.641 390 V HN 0.374 nan 8.190 nan 0.000 0.445 391 I N -0.393 120.092 120.570 -0.143 0.000 2.454 391 I HA -0.274 3.903 4.170 0.012 0.000 0.254 391 I C 2.594 178.587 176.117 -0.207 0.000 1.156 391 I CA 1.596 62.789 61.300 -0.179 0.000 1.433 391 I CB -0.342 37.524 38.000 -0.223 0.000 1.082 391 I HN 0.409 nan 8.210 nan 0.000 0.432 392 Q N 1.626 121.286 119.800 -0.233 0.000 2.119 392 Q HA -0.190 4.158 4.340 0.012 0.000 0.201 392 Q C 1.873 177.803 176.000 -0.116 0.000 0.972 392 Q CA 1.317 57.000 55.803 -0.200 0.000 0.847 392 Q CB 0.172 28.818 28.738 -0.154 0.000 0.903 392 Q HN 0.505 nan 8.270 nan 0.000 0.433 393 K N -0.621 119.725 120.400 -0.090 0.000 2.352 393 K HA 0.077 4.404 4.320 0.012 0.000 0.194 393 K C 1.732 178.284 176.600 -0.081 0.000 1.038 393 K CA 0.192 56.436 56.287 -0.071 0.000 1.023 393 K CB 0.386 32.856 32.500 -0.050 0.000 0.840 393 K HN 0.237 nan 8.250 nan 0.000 0.519 394 L N 0.841 122.008 121.223 -0.094 0.000 2.408 394 L HA 0.160 4.507 4.340 0.012 0.000 0.215 394 L C 2.518 179.326 176.870 -0.104 0.000 1.081 394 L CA 0.420 55.203 54.840 -0.095 0.000 0.840 394 L CB -0.212 41.792 42.059 -0.092 0.000 1.002 394 L HN 0.124 nan 8.230 nan 0.000 0.468 395 A N 1.399 124.151 122.820 -0.113 0.000 1.841 395 A HA -0.126 4.202 4.320 0.012 0.000 0.216 395 A C -0.199 177.312 177.584 -0.122 0.000 1.199 395 A CA 1.713 53.679 52.037 -0.119 0.000 0.621 395 A CB -1.953 16.971 19.000 -0.127 0.000 0.835 395 A HN 0.225 nan 8.150 nan 0.000 0.445 396 P HA -0.171 nan 4.420 nan 0.000 0.218 396 P C 1.163 178.395 177.300 -0.114 0.000 1.146 396 P CA 0.962 63.995 63.100 -0.111 0.000 0.820 396 P CB -0.300 31.344 31.700 -0.093 0.000 0.778 397 L N -1.403 119.755 121.223 -0.109 0.000 2.353 397 L HA -0.104 4.243 4.340 0.012 0.000 0.220 397 L C 2.328 179.114 176.870 -0.140 0.000 1.133 397 L CA 1.212 55.987 54.840 -0.108 0.000 0.798 397 L CB -0.735 41.270 42.059 -0.091 0.000 0.922 397 L HN 0.013 nan 8.230 nan 0.000 0.445 398 R N -0.320 120.080 120.500 -0.167 0.000 2.240 398 R HA -0.008 4.339 4.340 0.012 0.000 0.203 398 R C 1.949 178.098 176.300 -0.251 0.000 1.011 398 R CA 0.335 56.300 56.100 -0.226 0.000 1.007 398 R CB 0.122 30.283 30.300 -0.232 0.000 0.911 398 R HN 0.220 nan 8.270 nan 0.000 0.468 399 K N 0.060 120.343 120.400 -0.195 0.000 2.276 399 K HA 0.020 4.347 4.320 0.012 0.000 0.198 399 K C 2.155 178.664 176.600 -0.150 0.000 1.052 399 K CA 0.869 57.048 56.287 -0.181 0.000 0.984 399 K CB 0.118 32.525 32.500 -0.155 0.000 0.836 399 K HN 0.256 nan 8.250 nan 0.000 0.490 400 C N 0.717 119.939 119.300 -0.130 0.000 2.504 400 C HA 0.215 4.682 4.460 0.012 0.000 0.279 400 C C 0.846 175.774 174.990 -0.103 0.000 1.358 400 C CA -0.233 58.722 59.018 -0.105 0.000 1.747 400 C CB -0.545 27.143 27.740 -0.086 0.000 2.037 400 C HN 0.156 nan 8.230 nan 0.000 0.503 401 N N 1.530 120.159 118.700 -0.118 0.000 2.476 401 N HA 0.401 5.148 4.740 0.012 0.000 0.257 401 N C -2.152 173.264 175.510 -0.157 0.000 0.970 401 N CA -2.005 50.983 53.050 -0.103 0.000 0.938 401 N CB 1.786 40.227 38.487 -0.076 0.000 1.144 401 N HN 0.119 nan 8.380 nan 0.000 0.500 402 P HA 0.027 nan 4.420 nan 0.000 0.223 402 P C 0.770 177.941 177.300 -0.216 0.000 1.151 402 P CA 0.615 63.566 63.100 -0.249 0.000 0.787 402 P CB 0.229 31.888 31.700 -0.069 0.000 0.788 403 A N -0.522 122.297 122.820 -0.002 0.000 2.178 403 A HA -0.093 4.234 4.320 0.012 0.000 0.218 403 A C 1.995 179.569 177.584 -0.017 0.000 1.157 403 A CA 1.073 53.161 52.037 0.085 0.000 0.689 403 A CB -1.240 17.830 19.000 0.117 0.000 0.787 403 A HN 0.172 nan 8.150 nan 0.000 0.465 404 I N -1.910 118.580 120.570 -0.134 0.000 3.526 404 I HA 0.040 4.217 4.170 0.012 0.000 0.294 404 I C 2.521 178.465 176.117 -0.288 0.000 1.229 404 I CA 0.887 62.090 61.300 -0.161 0.000 1.408 404 I CB -0.224 37.688 38.000 -0.146 0.000 1.127 404 I HN 0.293 nan 8.210 nan 0.000 0.439 405 A N 0.437 122.947 122.820 -0.517 0.000 1.943 405 A HA -0.027 4.301 4.320 0.012 0.000 0.213 405 A C 1.252 178.305 177.584 -0.885 0.000 1.181 405 A CA 1.125 52.647 52.037 -0.858 0.000 0.653 405 A CB -0.214 17.975 19.000 -1.352 0.000 0.833 405 A HN 0.462 nan 8.150 nan 0.000 0.451 406 Y N -0.706 119.433 120.300 -0.269 0.000 2.738 406 Y HA 0.408 4.965 4.550 0.012 0.000 0.249 406 Y C 1.122 177.064 175.900 0.070 0.000 1.157 406 Y CA -1.144 56.844 58.100 -0.186 0.000 1.189 406 Y CB -0.469 37.627 38.460 -0.607 0.000 1.262 406 Y HN 0.175 nan 8.280 nan 0.000 0.554 407 G N 1.235 110.108 108.800 0.122 0.000 2.380 407 G HA2 0.344 4.312 3.960 0.012 0.000 0.262 407 G HA3 0.344 4.312 3.960 0.012 0.000 0.262 407 G C 0.128 175.130 174.900 0.169 0.000 1.243 407 G CA -0.333 44.887 45.100 0.199 0.000 0.865 407 G HN 0.260 nan 8.290 nan 0.000 0.513 408 S N 1.664 117.478 115.700 0.191 0.000 2.549 408 S HA 0.431 4.909 4.470 0.012 0.000 0.279 408 S C 0.501 175.180 174.600 0.132 0.000 1.321 408 S CA -0.553 57.735 58.200 0.146 0.000 1.054 408 S CB 0.951 64.232 63.200 0.135 0.000 0.899 408 S HN 0.630 nan 8.310 nan 0.000 0.497 409 T N 2.422 117.045 114.554 0.115 0.000 2.889 409 T HA 0.468 4.825 4.350 0.012 0.000 0.291 409 T C -0.261 174.522 174.700 0.138 0.000 0.995 409 T CA -0.713 61.466 62.100 0.133 0.000 1.092 409 T CB 0.861 69.787 68.868 0.097 0.000 0.954 409 T HN 0.813 nan 8.240 nan 0.000 0.506 410 Q N 1.949 121.854 119.800 0.174 0.000 2.526 410 Q HA 0.147 4.495 4.340 0.012 0.000 0.238 410 Q C -0.865 175.253 176.000 0.196 0.000 0.866 410 Q CA -0.545 55.352 55.803 0.156 0.000 0.801 410 Q CB 1.291 30.105 28.738 0.126 0.000 1.380 410 Q HN 0.767 nan 8.270 nan 0.000 0.446 411 E N 3.776 124.093 120.200 0.196 0.000 2.413 411 E HA 0.026 4.384 4.350 0.012 0.000 0.263 411 E C -0.372 176.337 176.600 0.182 0.000 1.015 411 E CA 0.341 56.876 56.400 0.224 0.000 0.916 411 E CB 0.701 30.510 29.700 0.181 0.000 0.947 411 E HN 0.785 nan 8.360 nan 0.000 0.440 412 R N 3.190 123.819 120.500 0.215 0.000 2.453 412 R HA 0.122 4.469 4.340 0.012 0.000 0.233 412 R C -0.053 176.402 176.300 0.258 0.000 0.895 412 R CA -0.112 56.109 56.100 0.202 0.000 1.028 412 R CB 0.815 31.235 30.300 0.201 0.000 1.255 412 R HN 0.546 nan 8.270 nan 0.000 0.571 413 W N 1.533 122.884 121.300 0.085 0.000 2.835 413 W HA 0.528 5.195 4.660 0.013 0.000 0.326 413 W C -1.588 174.949 176.519 0.030 0.000 1.024 413 W CA -0.569 56.812 57.345 0.059 0.000 1.267 413 W CB 1.015 30.516 29.460 0.068 0.000 1.267 413 W HN -0.109 nan 8.180 nan 0.000 0.412 414 I N 6.744 127.222 120.570 -0.153 0.000 2.785 414 I HA 0.579 4.757 4.170 0.012 0.000 0.302 414 I C -0.717 175.156 176.117 -0.407 0.000 1.069 414 I CA -0.318 60.865 61.300 -0.195 0.000 1.045 414 I CB 1.446 39.267 38.000 -0.298 0.000 1.236 414 I HN 0.542 nan 8.210 nan 0.000 0.429 415 N N 3.307 121.809 118.700 -0.329 0.000 3.575 415 N HA 0.232 4.979 4.740 0.012 0.000 0.343 415 N C -0.624 174.801 175.510 -0.142 0.000 1.574 415 N CA -0.434 52.524 53.050 -0.154 0.000 0.832 415 N CB 0.251 38.728 38.487 -0.018 0.000 2.151 415 N HN 0.644 nan 8.380 nan 0.000 0.552 416 N N -0.506 118.239 118.700 0.076 0.000 2.028 416 N HA -0.098 4.650 4.740 0.012 0.000 0.194 416 N C -0.326 175.189 175.510 0.007 0.000 1.050 416 N CA 1.971 55.066 53.050 0.075 0.000 0.848 416 N CB -0.141 38.408 38.487 0.104 0.000 1.038 416 N HN 0.536 nan 8.380 nan 0.000 0.423 417 D N -0.403 120.024 120.400 0.045 0.000 2.369 417 D HA 0.131 4.778 4.640 0.012 0.000 0.211 417 D C -0.614 175.736 176.300 0.083 0.000 1.077 417 D CA 0.110 54.139 54.000 0.048 0.000 0.842 417 D CB 0.819 41.658 40.800 0.065 0.000 0.947 417 D HN -0.040 nan 8.370 nan 0.000 0.509 418 V N 1.392 121.377 119.914 0.119 0.000 2.604 418 V HA 0.592 4.719 4.120 0.012 0.000 0.305 418 V C -0.961 175.262 176.094 0.214 0.000 1.043 418 V CA -1.022 61.392 62.300 0.189 0.000 0.888 418 V CB 2.275 34.257 31.823 0.264 0.000 0.995 418 V HN -0.028 nan 8.190 nan 0.000 0.429 419 L N 5.838 127.199 121.223 0.230 0.000 2.493 419 L HA 0.692 5.039 4.340 0.012 0.000 0.265 419 L C -1.350 175.720 176.870 0.332 0.000 0.954 419 L CA -0.036 54.957 54.840 0.256 0.000 0.844 419 L CB 1.848 44.008 42.059 0.168 0.000 1.302 419 L HN 0.590 nan 8.230 nan 0.000 0.405 420 I N 5.959 126.746 120.570 0.362 0.000 2.410 420 I HA 0.373 4.551 4.170 0.012 0.000 0.286 420 I C -1.111 175.190 176.117 0.307 0.000 1.009 420 I CA -0.730 60.738 61.300 0.279 0.000 1.111 420 I CB 1.309 39.489 38.000 0.300 0.000 1.262 420 I HN 0.660 nan 8.210 nan 0.000 0.443 421 Y N 3.151 123.571 120.300 0.200 0.000 2.528 421 Y HA 0.745 5.303 4.550 0.013 0.000 0.335 421 Y C -0.443 175.544 175.900 0.146 0.000 1.093 421 Y CA -1.453 56.752 58.100 0.175 0.000 1.134 421 Y CB 0.937 39.513 38.460 0.192 0.000 1.253 421 Y HN 0.473 nan 8.280 nan 0.000 0.478 422 E N 2.111 122.466 120.200 0.258 0.000 2.199 422 E HA 0.440 4.797 4.350 0.012 0.000 0.265 422 E C -1.193 175.517 176.600 0.183 0.000 0.882 422 E CA -1.098 55.400 56.400 0.162 0.000 0.759 422 E CB 0.933 30.711 29.700 0.130 0.000 1.148 422 E HN 0.596 nan 8.360 nan 0.000 0.412 423 R N 3.366 123.957 120.500 0.151 0.000 2.460 423 R HA 0.466 4.813 4.340 0.012 0.000 0.303 423 R C -0.646 175.736 176.300 0.136 0.000 0.968 423 R CA -0.643 55.545 56.100 0.145 0.000 0.889 423 R CB 1.547 31.921 30.300 0.124 0.000 1.123 423 R HN 0.556 nan 8.270 nan 0.000 0.455 424 K N 2.017 122.513 120.400 0.160 0.000 2.525 424 K HA 0.466 4.794 4.320 0.012 0.000 0.254 424 K C -1.924 174.830 176.600 0.257 0.000 0.934 424 K CA -0.618 55.774 56.287 0.175 0.000 0.802 424 K CB 1.665 34.243 32.500 0.130 0.000 1.295 424 K HN 0.434 nan 8.250 nan 0.000 0.433 425 F N 3.895 123.894 119.950 0.082 0.000 2.787 425 F HA 0.455 4.989 4.527 0.012 0.000 0.340 425 F C 0.138 175.982 175.800 0.073 0.000 1.232 425 F CA 0.855 58.911 58.000 0.094 0.000 1.051 425 F CB 1.387 40.466 39.000 0.132 0.000 1.330 425 F HN 0.921 nan 8.300 nan 0.000 0.522 426 G N 3.468 112.056 108.800 -0.353 0.000 2.547 426 G HA2 -0.283 3.684 3.960 0.012 0.000 0.271 426 G HA3 -0.283 3.684 3.960 0.012 0.000 0.271 426 G C 0.417 175.311 174.900 -0.009 0.000 1.209 426 G CA 0.011 44.984 45.100 -0.211 0.000 0.959 426 G HN 1.402 nan 8.290 nan 0.000 0.563 427 S N 1.631 117.354 115.700 0.039 0.000 2.840 427 S HA 0.289 4.767 4.470 0.012 0.000 0.235 427 S C 0.407 175.089 174.600 0.137 0.000 0.968 427 S CA 0.306 58.569 58.200 0.106 0.000 1.026 427 S CB -0.389 62.873 63.200 0.104 0.000 0.788 427 S HN 0.654 nan 8.310 nan 0.000 0.487 428 N N 0.903 119.684 118.700 0.134 0.000 2.319 428 N HA 0.656 5.404 4.740 0.012 0.000 0.305 428 N C -1.012 174.601 175.510 0.172 0.000 1.103 428 N CA -0.461 52.665 53.050 0.127 0.000 0.815 428 N CB 2.270 40.822 38.487 0.109 0.000 1.288 428 N HN 0.013 nan 8.380 nan 0.000 0.493 429 V N -0.444 119.578 119.914 0.178 0.000 3.159 429 V HA 0.904 5.032 4.120 0.012 0.000 0.308 429 V C -0.943 175.224 176.094 0.122 0.000 1.190 429 V CA -0.947 61.448 62.300 0.158 0.000 1.037 429 V CB 2.032 33.954 31.823 0.165 0.000 1.060 429 V HN 0.884 nan 8.190 nan 0.000 0.437 430 A N 1.256 124.130 122.820 0.089 0.000 2.480 430 A HA 0.786 5.113 4.320 0.012 0.000 0.289 430 A C -1.646 175.949 177.584 0.019 0.000 1.044 430 A CA -0.386 51.682 52.037 0.051 0.000 0.761 430 A CB 1.759 20.775 19.000 0.026 0.000 1.289 430 A HN 0.754 nan 8.150 nan 0.000 0.401 431 V N 3.129 123.047 119.914 0.008 0.000 2.444 431 V HA 0.525 4.652 4.120 0.012 0.000 0.294 431 V C -0.456 175.512 176.094 -0.211 0.000 1.022 431 V CA -0.475 61.815 62.300 -0.017 0.000 0.850 431 V CB 1.661 33.586 31.823 0.169 0.000 0.992 431 V HN 0.735 nan 8.190 nan 0.000 0.426 432 V N 4.118 123.731 119.914 -0.503 0.000 2.417 432 V HA 0.830 4.957 4.120 0.012 0.000 0.291 432 V C 0.277 176.066 176.094 -0.509 0.000 1.024 432 V CA -0.593 61.302 62.300 -0.675 0.000 0.861 432 V CB 1.618 32.892 31.823 -0.915 0.000 0.985 432 V HN 0.927 nan 8.190 nan 0.000 0.436 433 A N 4.929 127.529 122.820 -0.367 0.000 2.318 433 A HA 0.908 5.236 4.320 0.012 0.000 0.317 433 A C -0.715 176.842 177.584 -0.044 0.000 1.159 433 A CA -0.487 51.487 52.037 -0.104 0.000 0.799 433 A CB 1.370 20.386 19.000 0.028 0.000 1.194 433 A HN 0.704 nan 8.150 nan 0.000 0.479 434 V N 1.680 121.644 119.914 0.084 0.000 3.001 434 V HA 0.643 4.770 4.120 0.012 0.000 0.314 434 V C -0.436 175.729 176.094 0.119 0.000 1.099 434 V CA -0.843 61.521 62.300 0.107 0.000 0.989 434 V CB 2.331 34.269 31.823 0.192 0.000 1.040 434 V HN 0.895 nan 8.190 nan 0.000 0.434 435 N N 0.879 119.644 118.700 0.108 0.000 2.722 435 N HA 0.202 4.949 4.740 0.012 0.000 0.242 435 N C 0.891 176.471 175.510 0.118 0.000 1.398 435 N CA -0.625 52.487 53.050 0.103 0.000 0.755 435 N CB 0.747 39.275 38.487 0.068 0.000 1.268 435 N HN 0.634 nan 8.380 nan 0.000 0.522 436 R N 0.034 120.638 120.500 0.173 0.000 2.276 436 R HA -0.081 4.267 4.340 0.012 0.000 0.243 436 R C 0.503 176.880 176.300 0.128 0.000 1.161 436 R CA 0.957 57.179 56.100 0.204 0.000 1.007 436 R CB -0.478 29.971 30.300 0.249 0.000 0.867 436 R HN 0.201 nan 8.270 nan 0.000 0.472 437 N N 1.600 120.357 118.700 0.095 0.000 2.549 437 N HA -0.019 4.728 4.740 0.012 0.000 0.267 437 N C 0.126 175.676 175.510 0.066 0.000 1.182 437 N CA -0.136 52.957 53.050 0.072 0.000 1.019 437 N CB 0.457 38.982 38.487 0.062 0.000 1.380 437 N HN 0.106 nan 8.380 nan 0.000 0.505 438 L N 1.903 123.168 121.223 0.069 0.000 2.447 438 L HA -0.037 4.310 4.340 0.012 0.000 0.225 438 L C 1.116 178.015 176.870 0.047 0.000 1.148 438 L CA 0.949 55.825 54.840 0.060 0.000 0.808 438 L CB -0.869 41.230 42.059 0.066 0.000 0.928 438 L HN 0.453 nan 8.230 nan 0.000 0.448 439 N N -0.251 118.476 118.700 0.044 0.000 2.338 439 N HA 0.426 5.173 4.740 0.012 0.000 0.251 439 N C -0.462 175.068 175.510 0.034 0.000 1.199 439 N CA 0.375 53.447 53.050 0.036 0.000 0.879 439 N CB 1.035 39.541 38.487 0.032 0.000 1.159 439 N HN 0.153 nan 8.380 nan 0.000 0.514 440 A N 0.491 123.333 122.820 0.037 0.000 2.572 440 A HA 0.475 4.802 4.320 0.012 0.000 0.303 440 A C -3.014 174.590 177.584 0.034 0.000 1.059 440 A CA -0.835 51.223 52.037 0.034 0.000 0.788 440 A CB 1.194 20.215 19.000 0.034 0.000 1.282 440 A HN -0.137 nan 8.150 nan 0.000 0.397 441 P HA 0.568 nan 4.420 nan 0.000 0.276 441 P C -0.339 176.965 177.300 0.006 0.000 1.244 441 P CA -0.135 62.977 63.100 0.020 0.000 0.801 441 P CB 1.358 33.069 31.700 0.018 0.000 1.006 442 A N 1.158 123.963 122.820 -0.024 0.000 2.342 442 A HA 0.541 4.869 4.320 0.012 0.000 0.323 442 A C -0.199 177.292 177.584 -0.154 0.000 1.125 442 A CA -0.505 51.500 52.037 -0.054 0.000 0.785 442 A CB 0.771 19.740 19.000 -0.053 0.000 1.221 442 A HN 0.342 nan 8.150 nan 0.000 0.463 443 S N 1.607 117.231 115.700 -0.126 0.000 2.409 443 S HA 0.365 4.843 4.470 0.012 0.000 0.308 443 S C -0.275 174.129 174.600 -0.328 0.000 1.080 443 S CA -0.205 57.880 58.200 -0.191 0.000 1.081 443 S CB -0.825 62.331 63.200 -0.073 0.000 1.009 443 S HN 0.456 nan 8.310 nan 0.000 0.502 444 I N 4.195 124.335 120.570 -0.716 0.000 2.379 444 I HA 0.217 4.394 4.170 0.012 0.000 0.290 444 I C 0.463 176.244 176.117 -0.560 0.000 1.063 444 I CA 0.378 61.064 61.300 -1.023 0.000 1.351 444 I CB 0.959 37.943 38.000 -1.695 0.000 1.410 444 I HN 0.469 nan 8.210 nan 0.000 0.505 445 S N 4.586 120.209 115.700 -0.129 0.000 2.672 445 S HA 0.719 5.197 4.470 0.012 0.000 0.291 445 S C 0.257 174.991 174.600 0.224 0.000 1.145 445 S CA 0.149 58.370 58.200 0.035 0.000 1.013 445 S CB 1.269 64.494 63.200 0.042 0.000 1.017 445 S HN 1.177 nan 8.310 nan 0.000 0.487 446 G N 2.227 111.127 108.800 0.167 0.000 2.192 446 G HA2 -0.165 3.802 3.960 0.012 0.000 0.193 446 G HA3 -0.165 3.802 3.960 0.012 0.000 0.193 446 G C -0.172 174.871 174.900 0.239 0.000 0.999 446 G CA -0.165 45.051 45.100 0.194 0.000 0.659 446 G HN 1.183 nan 8.290 nan 0.000 0.503 447 L N 1.509 122.881 121.223 0.248 0.000 2.485 447 L HA 0.620 4.968 4.340 0.012 0.000 0.275 447 L C 0.271 177.227 176.870 0.143 0.000 1.207 447 L CA 0.144 55.134 54.840 0.249 0.000 0.855 447 L CB 1.267 43.412 42.059 0.143 0.000 1.114 447 L HN 0.182 nan 8.230 nan 0.000 0.485 448 V N 3.977 123.972 119.914 0.135 0.000 2.925 448 V HA 0.801 4.929 4.120 0.012 0.000 0.311 448 V C -0.113 176.017 176.094 0.061 0.000 1.104 448 V CA 0.149 62.493 62.300 0.073 0.000 0.954 448 V CB 2.466 34.329 31.823 0.068 0.000 1.022 448 V HN 1.076 nan 8.190 nan 0.000 0.427 449 T N -0.228 114.334 114.554 0.014 0.000 2.754 449 T HA 0.350 4.708 4.350 0.012 0.000 0.296 449 T C 0.408 175.099 174.700 -0.015 0.000 1.205 449 T CA -0.097 62.004 62.100 0.002 0.000 1.009 449 T CB 1.753 70.595 68.868 -0.044 0.000 1.368 449 T HN 0.268 nan 8.240 nan 0.000 0.509 450 S N -0.341 115.354 115.700 -0.008 0.000 2.558 450 S HA 0.321 4.798 4.470 0.012 0.000 0.217 450 S C 0.819 175.394 174.600 -0.041 0.000 0.975 450 S CA -0.363 57.836 58.200 -0.001 0.000 0.912 450 S CB -0.760 62.464 63.200 0.040 0.000 0.776 450 S HN 0.465 nan 8.310 nan 0.000 0.526 451 L N 2.767 123.924 121.223 -0.111 0.000 2.485 451 L HA 0.172 4.519 4.340 0.012 0.000 0.275 451 L C -2.241 174.525 176.870 -0.173 0.000 1.207 451 L CA -1.485 53.229 54.840 -0.210 0.000 0.855 451 L CB -0.441 41.285 42.059 -0.556 0.000 1.114 451 L HN -0.023 nan 8.230 nan 0.000 0.485 452 P HA 0.069 nan 4.420 nan 0.000 0.274 452 P C -0.843 176.444 177.300 -0.022 0.000 1.246 452 P CA -0.606 62.379 63.100 -0.192 0.000 0.795 452 P CB 0.460 31.889 31.700 -0.450 0.000 1.006 453 Q N 0.213 119.991 119.800 -0.037 0.000 2.315 453 Q HA 0.410 4.757 4.340 0.012 0.000 0.289 453 Q C 0.308 176.314 176.000 0.010 0.000 1.044 453 Q CA 1.065 56.868 55.803 -0.001 0.000 0.920 453 Q CB -0.242 28.481 28.738 -0.024 0.000 1.214 453 Q HN 0.740 nan 8.270 nan 0.000 0.392 454 G N 1.194 110.018 108.800 0.041 0.000 2.356 454 G HA2 0.082 4.049 3.960 0.012 0.000 0.288 454 G HA3 0.082 4.049 3.960 0.012 0.000 0.288 454 G C -1.613 173.265 174.900 -0.036 0.000 1.302 454 G CA -0.305 44.760 45.100 -0.058 0.000 0.887 454 G HN 0.575 nan 8.290 nan 0.000 0.521 455 S N -0.901 114.681 115.700 -0.196 0.000 2.451 455 S HA 0.755 5.233 4.470 0.012 0.000 0.301 455 S C -1.424 173.003 174.600 -0.288 0.000 1.116 455 S CA -0.536 57.581 58.200 -0.138 0.000 1.093 455 S CB 0.772 63.904 63.200 -0.114 0.000 1.017 455 S HN 0.660 nan 8.310 nan 0.000 0.482 456 Y N 3.608 123.817 120.300 -0.150 0.000 2.447 456 Y HA 0.391 4.949 4.550 0.013 0.000 0.325 456 Y C 0.212 176.124 175.900 0.021 0.000 0.976 456 Y CA -1.011 57.048 58.100 -0.068 0.000 1.280 456 Y CB 0.533 38.931 38.460 -0.103 0.000 1.104 456 Y HN 0.642 nan 8.280 nan 0.000 0.486 457 N N 1.612 120.405 118.700 0.155 0.000 2.479 457 N HA 0.000 4.747 4.740 0.012 0.000 0.257 457 N C -0.576 175.105 175.510 0.286 0.000 1.232 457 N CA -0.111 53.038 53.050 0.166 0.000 0.920 457 N CB 0.412 38.943 38.487 0.073 0.000 1.105 457 N HN 0.516 nan 8.380 nan 0.000 0.444 458 D N 1.354 121.905 120.400 0.252 0.000 2.412 458 D HA -0.020 4.627 4.640 0.012 0.000 0.257 458 D C 0.839 177.151 176.300 0.019 0.000 1.217 458 D CA -0.084 53.982 54.000 0.110 0.000 0.897 458 D CB 0.574 41.394 40.800 0.033 0.000 1.132 458 D HN 0.214 nan 8.370 nan 0.000 0.493 459 V N 4.595 124.494 119.914 -0.026 0.000 2.453 459 V HA -0.238 3.889 4.120 0.012 0.000 0.252 459 V C 2.233 178.297 176.094 -0.050 0.000 1.068 459 V CA 1.315 63.597 62.300 -0.030 0.000 1.070 459 V CB -0.518 31.278 31.823 -0.046 0.000 0.664 459 V HN 0.684 nan 8.190 nan 0.000 0.461 460 L N 0.475 121.648 121.223 -0.084 0.000 2.610 460 L HA 0.162 4.510 4.340 0.012 0.000 0.232 460 L C 1.642 178.489 176.870 -0.037 0.000 1.149 460 L CA 0.691 55.488 54.840 -0.070 0.000 0.872 460 L CB -0.885 41.115 42.059 -0.099 0.000 0.992 460 L HN 0.583 nan 8.230 nan 0.000 0.447 461 G N 0.512 109.300 108.800 -0.020 0.000 2.356 461 G HA2 -0.277 3.690 3.960 0.012 0.000 0.296 461 G HA3 -0.277 3.690 3.960 0.012 0.000 0.296 461 G C 0.987 175.887 174.900 0.001 0.000 1.022 461 G CA 0.352 45.451 45.100 -0.002 0.000 0.961 461 G HN 0.657 nan 8.290 nan 0.000 0.510 462 G N -1.628 107.171 108.800 -0.002 0.000 2.321 462 G HA2 -0.173 3.795 3.960 0.012 0.000 0.287 462 G HA3 -0.173 3.795 3.960 0.012 0.000 0.287 462 G C 1.133 176.033 174.900 -0.000 0.000 1.018 462 G CA 0.930 46.033 45.100 0.004 0.000 0.855 462 G HN 1.620 nan 8.290 nan 0.000 0.507 463 L N -0.858 120.359 121.223 -0.010 0.000 2.131 463 L HA 0.346 4.693 4.340 0.012 0.000 0.206 463 L C 2.270 179.137 176.870 -0.005 0.000 1.087 463 L CA 1.637 56.475 54.840 -0.004 0.000 0.767 463 L CB -0.020 42.036 42.059 -0.004 0.000 0.917 463 L HN 0.352 nan 8.230 nan 0.000 0.441 464 L N -0.573 120.637 121.223 -0.020 0.000 2.700 464 L HA 0.229 4.577 4.340 0.012 0.000 0.234 464 L C 0.226 177.088 176.870 -0.012 0.000 1.156 464 L CA 0.123 54.951 54.840 -0.020 0.000 0.946 464 L CB -0.349 41.685 42.059 -0.043 0.000 1.216 464 L HN 0.378 nan 8.230 nan 0.000 0.493 465 N N -0.982 117.715 118.700 -0.004 0.000 2.994 465 N HA -0.126 4.622 4.740 0.012 0.000 0.246 465 N C 0.615 176.136 175.510 0.019 0.000 1.061 465 N CA 0.541 53.598 53.050 0.012 0.000 0.845 465 N CB -0.965 37.535 38.487 0.021 0.000 1.119 465 N HN 0.478 nan 8.380 nan 0.000 0.551 466 G N 0.178 108.973 108.800 -0.007 0.000 2.684 466 G HA2 0.376 4.344 3.960 0.012 0.000 0.255 466 G HA3 0.376 4.344 3.960 0.012 0.000 0.255 466 G C 0.161 175.102 174.900 0.069 0.000 1.219 466 G CA 0.071 45.166 45.100 -0.008 0.000 0.901 466 G HN 0.436 nan 8.290 nan 0.000 0.548 467 N N -1.663 117.131 118.700 0.157 0.000 2.697 467 N HA 0.338 5.086 4.740 0.012 0.000 0.272 467 N C -0.951 174.711 175.510 0.255 0.000 1.381 467 N CA -0.638 52.510 53.050 0.163 0.000 0.797 467 N CB 1.310 39.876 38.487 0.132 0.000 1.523 467 N HN 0.347 nan 8.380 nan 0.000 0.518 468 T N 0.635 115.238 114.554 0.081 0.000 2.882 468 T HA 0.405 4.763 4.350 0.012 0.000 0.287 468 T C -0.396 174.109 174.700 -0.325 0.000 1.014 468 T CA -0.246 61.854 62.100 0.001 0.000 1.049 468 T CB 0.433 69.289 68.868 -0.020 0.000 1.001 468 T HN 0.358 nan 8.240 nan 0.000 0.525 469 L N 2.076 122.988 121.223 -0.518 0.000 2.376 469 L HA 0.498 4.846 4.340 0.012 0.000 0.275 469 L C -0.452 176.197 176.870 -0.368 0.000 0.987 469 L CA -0.111 54.248 54.840 -0.801 0.000 0.828 469 L CB 1.873 42.901 42.059 -1.719 0.000 1.249 469 L HN 0.514 nan 8.230 nan 0.000 0.409 470 S N 3.423 118.956 115.700 -0.279 0.000 2.475 470 S HA 0.659 5.137 4.470 0.012 0.000 0.281 470 S C -0.561 173.970 174.600 -0.115 0.000 1.198 470 S CA -0.461 57.662 58.200 -0.128 0.000 1.063 470 S CB 1.221 64.366 63.200 -0.091 0.000 0.972 470 S HN 0.390 nan 8.310 nan 0.000 0.486 471 V N 3.485 123.376 119.914 -0.038 0.000 2.448 471 V HA 0.651 4.779 4.120 0.012 0.000 0.295 471 V C 0.892 176.974 176.094 -0.019 0.000 1.025 471 V CA -0.489 61.784 62.300 -0.046 0.000 0.859 471 V CB 1.629 33.416 31.823 -0.059 0.000 0.988 471 V HN 0.937 nan 8.190 nan 0.000 0.431 472 G N 2.943 111.726 108.800 -0.028 0.000 2.695 472 G HA2 0.475 4.442 3.960 0.012 0.000 0.213 472 G HA3 0.475 4.442 3.960 0.012 0.000 0.213 472 G C 0.112 175.001 174.900 -0.019 0.000 1.406 472 G CA -0.130 44.959 45.100 -0.019 0.000 1.049 472 G HN 0.824 nan 8.290 nan 0.000 0.573 473 S N -1.426 114.266 115.700 -0.014 0.000 2.545 473 S HA 0.479 4.957 4.470 0.012 0.000 0.275 473 S C 1.016 175.609 174.600 -0.010 0.000 1.299 473 S CA 0.391 58.583 58.200 -0.013 0.000 1.048 473 S CB 1.104 64.299 63.200 -0.009 0.000 0.938 473 S HN 2.294 nan 8.310 nan 0.000 0.496 474 G N 1.576 110.369 108.800 -0.012 0.000 2.157 474 G HA2 0.130 4.098 3.960 0.012 0.000 0.248 474 G HA3 0.130 4.098 3.960 0.012 0.000 0.248 474 G C 0.943 175.837 174.900 -0.011 0.000 0.979 474 G CA 0.103 45.199 45.100 -0.007 0.000 0.650 474 G HN 2.357 nan 8.290 nan 0.000 0.529 475 G N -0.938 107.847 108.800 -0.024 0.000 2.272 475 G HA2 0.254 4.221 3.960 0.012 0.000 0.280 475 G HA3 0.254 4.221 3.960 0.012 0.000 0.280 475 G C 0.459 175.339 174.900 -0.034 0.000 1.067 475 G CA 1.122 46.197 45.100 -0.040 0.000 0.902 475 G HN 2.286 nan 8.290 nan 0.000 0.500 476 A N -0.246 122.560 122.820 -0.023 0.000 2.260 476 A HA 0.957 5.284 4.320 0.012 0.000 0.314 476 A C 0.733 178.301 177.584 -0.027 0.000 1.257 476 A CA 0.628 52.659 52.037 -0.009 0.000 0.871 476 A CB 0.967 19.974 19.000 0.011 0.000 1.166 476 A HN 2.099 nan 8.150 nan 0.000 0.522 477 A N 2.396 125.196 122.820 -0.033 0.000 2.366 477 A HA 0.579 4.906 4.320 0.012 0.000 0.249 477 A C 0.793 178.379 177.584 0.004 0.000 1.084 477 A CA -0.074 51.925 52.037 -0.062 0.000 0.794 477 A CB 0.052 18.994 19.000 -0.096 0.000 1.034 477 A HN 0.852 nan 8.150 nan 0.000 0.491 478 S N 0.288 115.987 115.700 -0.002 0.000 2.601 478 S HA 0.159 4.637 4.470 0.012 0.000 0.271 478 S C 0.342 175.017 174.600 0.125 0.000 1.305 478 S CA -0.495 57.728 58.200 0.038 0.000 1.022 478 S CB 0.253 63.457 63.200 0.007 0.000 0.940 478 S HN 0.727 nan 8.310 nan 0.000 0.525 479 N N 1.752 120.495 118.700 0.073 0.000 2.411 479 N HA 0.249 4.996 4.740 0.012 0.000 0.265 479 N C -0.614 174.958 175.510 0.104 0.000 1.266 479 N CA 0.328 53.398 53.050 0.034 0.000 0.889 479 N CB 0.037 38.523 38.487 -0.000 0.000 1.069 479 N HN 0.481 nan 8.380 nan 0.000 0.476 480 F N -0.993 118.902 119.950 -0.092 0.000 2.675 480 F HA 0.592 5.126 4.527 0.012 0.000 0.324 480 F C -0.589 175.167 175.800 -0.074 0.000 1.106 480 F CA -1.060 56.893 58.000 -0.079 0.000 0.970 480 F CB 1.053 39.997 39.000 -0.094 0.000 1.385 480 F HN -0.006 nan 8.300 nan 0.000 0.489 481 T N 2.634 117.250 114.554 0.102 0.000 2.824 481 T HA 0.520 4.877 4.350 0.012 0.000 0.280 481 T C -1.330 173.453 174.700 0.138 0.000 0.995 481 T CA -0.332 61.763 62.100 -0.008 0.000 1.009 481 T CB 1.357 70.241 68.868 0.027 0.000 0.955 481 T HN 0.616 nan 8.240 nan 0.000 0.452 482 L N 4.274 125.500 121.223 0.006 0.000 2.272 482 L HA 0.635 4.982 4.340 0.012 0.000 0.284 482 L C 0.593 177.502 176.870 0.065 0.000 1.045 482 L CA -0.587 54.316 54.840 0.105 0.000 0.842 482 L CB -0.422 41.651 42.059 0.022 0.000 1.224 482 L HN 0.831 nan 8.230 nan 0.000 0.430 483 A N 4.142 127.014 122.820 0.086 0.000 2.615 483 A HA 0.372 4.700 4.320 0.012 0.000 0.230 483 A C 0.801 178.413 177.584 0.047 0.000 1.062 483 A CA 0.426 52.498 52.037 0.059 0.000 0.758 483 A CB -0.168 18.867 19.000 0.059 0.000 0.995 483 A HN 1.128 nan 8.150 nan 0.000 0.511 484 A N 1.156 124.000 122.820 0.040 0.000 2.566 484 A HA 0.466 4.794 4.320 0.012 0.000 0.245 484 A C 1.712 179.322 177.584 0.043 0.000 1.056 484 A CA 0.834 52.895 52.037 0.041 0.000 0.757 484 A CB -1.080 17.942 19.000 0.037 0.000 0.979 484 A HN 2.817 nan 8.150 nan 0.000 0.508 485 G N 2.183 111.013 108.800 0.050 0.000 2.283 485 G HA2 0.009 3.977 3.960 0.012 0.000 0.280 485 G HA3 0.009 3.977 3.960 0.012 0.000 0.280 485 G C 0.750 175.669 174.900 0.033 0.000 1.029 485 G CA 0.779 45.909 45.100 0.050 0.000 0.840 485 G HN 1.885 nan 8.290 nan 0.000 0.505 486 G N -1.054 107.766 108.800 0.035 0.000 2.467 486 G HA2 0.602 4.569 3.960 0.012 0.000 0.257 486 G HA3 0.602 4.569 3.960 0.012 0.000 0.257 486 G C -0.114 174.782 174.900 -0.007 0.000 1.227 486 G CA 0.525 45.637 45.100 0.020 0.000 0.835 486 G HN 0.717 nan 8.290 nan 0.000 0.556 487 T N 0.354 114.877 114.554 -0.052 0.000 2.965 487 T HA 0.610 4.968 4.350 0.012 0.000 0.306 487 T C -0.228 174.345 174.700 -0.212 0.000 0.991 487 T CA -0.177 61.857 62.100 -0.110 0.000 1.001 487 T CB 1.481 70.293 68.868 -0.094 0.000 0.984 487 T HN 0.935 nan 8.240 nan 0.000 0.446 488 A N 2.694 125.279 122.820 -0.393 0.000 2.355 488 A HA 0.816 5.143 4.320 0.012 0.000 0.317 488 A C -0.546 176.437 177.584 -1.001 0.000 1.094 488 A CA -0.757 50.849 52.037 -0.718 0.000 0.764 488 A CB 1.165 19.606 19.000 -0.932 0.000 1.230 488 A HN 0.676 nan 8.150 nan 0.000 0.448 489 V N 3.191 122.623 119.914 -0.803 0.000 2.304 489 V HA 0.323 4.450 4.120 0.012 0.000 0.278 489 V C -0.896 174.924 176.094 -0.457 0.000 1.018 489 V CA -0.675 61.278 62.300 -0.578 0.000 0.814 489 V CB 0.165 31.816 31.823 -0.287 0.000 1.021 489 V HN 0.809 nan 8.190 nan 0.000 0.440 490 W N 4.209 125.471 121.300 -0.064 0.000 2.469 490 W HA 0.705 5.372 4.660 0.012 0.000 0.320 490 W C 0.109 176.630 176.519 0.005 0.000 1.086 490 W CA -0.641 56.692 57.345 -0.021 0.000 1.211 490 W CB 1.547 30.944 29.460 -0.105 0.000 1.298 490 W HN 0.699 nan 8.180 nan 0.000 0.525 491 Q N 1.480 121.483 119.800 0.338 0.000 2.501 491 Q HA 0.646 4.994 4.340 0.012 0.000 0.288 491 Q C -2.152 174.111 176.000 0.438 0.000 1.051 491 Q CA -1.141 54.821 55.803 0.266 0.000 0.788 491 Q CB 3.186 32.004 28.738 0.133 0.000 1.469 491 Q HN 0.364 nan 8.270 nan 0.000 0.416 492 Y N 0.702 121.125 120.300 0.206 0.000 2.361 492 Y HA 0.536 5.094 4.550 0.012 0.000 0.328 492 Y C -1.710 174.262 175.900 0.120 0.000 1.044 492 Y CA -0.313 57.920 58.100 0.221 0.000 1.085 492 Y CB 2.290 40.914 38.460 0.273 0.000 1.194 492 Y HN 0.817 nan 8.280 nan 0.000 0.438 493 T N 3.327 117.507 114.554 -0.623 0.000 2.812 493 T HA 0.972 5.329 4.350 0.012 0.000 0.282 493 T C -0.502 173.796 174.700 -0.671 0.000 0.990 493 T CA -0.474 61.325 62.100 -0.502 0.000 0.960 493 T CB 1.533 70.272 68.868 -0.216 0.000 0.948 493 T HN 0.908 nan 8.240 nan 0.000 0.438 494 A N 1.994 124.545 122.820 -0.449 0.000 2.564 494 A HA 0.985 5.312 4.320 0.012 0.000 0.288 494 A C -0.532 176.996 177.584 -0.094 0.000 1.164 494 A CA -1.020 50.864 52.037 -0.255 0.000 0.712 494 A CB 0.938 19.838 19.000 -0.167 0.000 1.303 494 A HN 1.325 nan 8.150 nan 0.000 0.418 495 A N 0.381 123.179 122.820 -0.038 0.000 2.327 495 A HA 0.621 4.949 4.320 0.012 0.000 0.283 495 A C 0.334 177.924 177.584 0.010 0.000 1.127 495 A CA 0.184 52.215 52.037 -0.010 0.000 0.810 495 A CB -0.337 18.661 19.000 -0.004 0.000 1.066 495 A HN 1.203 nan 8.150 nan 0.000 0.492 496 T N 1.498 116.059 114.554 0.012 0.000 2.743 496 T HA 0.510 4.867 4.350 0.012 0.000 0.293 496 T C 1.087 175.797 174.700 0.016 0.000 0.945 496 T CA -0.043 62.063 62.100 0.010 0.000 1.030 496 T CB 1.539 70.406 68.868 -0.002 0.000 0.912 496 T HN 0.829 nan 8.240 nan 0.000 0.483 497 A N 3.556 126.389 122.820 0.022 0.000 1.850 497 A HA 0.185 4.512 4.320 0.012 0.000 0.212 497 A C 1.692 179.305 177.584 0.048 0.000 1.208 497 A CA 0.737 52.795 52.037 0.035 0.000 0.609 497 A CB -0.937 18.083 19.000 0.033 0.000 0.860 497 A HN 0.874 nan 8.150 nan 0.000 0.448 498 T N -1.088 113.488 114.554 0.036 0.000 2.898 498 T HA 0.443 4.800 4.350 0.012 0.000 0.301 498 T C -2.860 171.883 174.700 0.073 0.000 1.049 498 T CA -1.630 60.500 62.100 0.049 0.000 1.095 498 T CB 0.624 69.505 68.868 0.023 0.000 0.976 498 T HN 0.063 nan 8.240 nan 0.000 0.539 499 P HA 0.317 nan 4.420 nan 0.000 0.276 499 P C -0.737 176.675 177.300 0.187 0.000 1.243 499 P CA -0.242 63.005 63.100 0.246 0.000 0.768 499 P CB 0.512 32.371 31.700 0.266 0.000 0.856 500 T N 4.521 119.195 114.554 0.201 0.000 2.864 500 T HA 0.438 4.795 4.350 0.012 0.000 0.299 500 T C 0.331 175.204 174.700 0.289 0.000 1.011 500 T CA -0.414 61.725 62.100 0.066 0.000 0.975 500 T CB 0.343 69.012 68.868 -0.332 0.000 0.962 500 T HN 0.188 nan 8.240 nan 0.000 0.448 501 I N 2.538 123.300 120.570 0.321 0.000 2.471 501 I HA 0.339 4.516 4.170 0.012 0.000 0.286 501 I C 1.320 177.603 176.117 0.277 0.000 1.079 501 I CA 0.067 61.559 61.300 0.321 0.000 1.398 501 I CB 1.026 39.110 38.000 0.140 0.000 1.403 501 I HN 0.874 nan 8.210 nan 0.000 0.530 502 G N 5.122 113.909 108.800 -0.021 0.000 3.079 502 G HA2 0.089 4.057 3.960 0.012 0.000 0.233 502 G HA3 0.089 4.057 3.960 0.012 0.000 0.233 502 G C 0.169 174.813 174.900 -0.426 0.000 1.062 502 G CA 0.226 45.073 45.100 -0.422 0.000 0.809 502 G HN 0.676 nan 8.290 nan 0.000 0.535 503 H N -1.073 117.715 119.070 -0.469 0.000 3.016 503 H HA 0.274 4.837 4.556 0.012 0.000 0.289 503 H C -2.118 172.920 175.328 -0.483 0.000 1.224 503 H CA -0.220 55.616 56.048 -0.352 0.000 1.485 503 H CB 1.737 31.419 29.762 -0.135 0.000 1.999 503 H HN -0.085 nan 8.280 nan 0.000 0.511 504 V N 2.306 121.663 119.914 -0.929 0.000 2.914 504 V HA 0.850 4.977 4.120 0.012 0.000 0.314 504 V C 0.212 176.211 176.094 -0.157 0.000 1.084 504 V CA 0.085 62.078 62.300 -0.512 0.000 0.963 504 V CB 2.036 33.490 31.823 -0.615 0.000 1.025 504 V HN 0.955 nan 8.190 nan 0.000 0.432 505 G N 3.191 112.046 108.800 0.091 0.000 2.498 505 G HA2 0.560 4.528 3.960 0.012 0.000 0.301 505 G HA3 0.560 4.528 3.960 0.012 0.000 0.301 505 G C -3.588 171.447 174.900 0.224 0.000 1.577 505 G CA -0.755 44.479 45.100 0.224 0.000 0.868 505 G HN 0.482 nan 8.290 nan 0.000 0.599 506 P HA 0.318 nan 4.420 nan 0.000 0.277 506 P C 0.863 178.329 177.300 0.277 0.000 1.240 506 P CA -0.661 62.572 63.100 0.222 0.000 0.798 506 P CB 0.864 32.652 31.700 0.147 0.000 0.979 507 M N 0.660 120.339 119.600 0.132 0.000 2.619 507 M HA 0.125 4.612 4.480 0.012 0.000 0.251 507 M C 0.608 176.610 176.300 -0.497 0.000 1.106 507 M CA 0.989 56.282 55.300 -0.012 0.000 1.086 507 M CB -1.101 31.524 32.600 0.042 0.000 1.465 507 M HN 0.431 nan 8.290 nan 0.000 0.506 508 M N -0.018 119.381 119.600 -0.335 0.000 2.277 508 M HA 0.616 5.104 4.480 0.012 0.000 0.282 508 M C -1.926 174.278 176.300 -0.160 0.000 1.074 508 M CA -0.274 54.807 55.300 -0.365 0.000 0.954 508 M CB 2.298 34.769 32.600 -0.215 0.000 1.672 508 M HN -0.039 nan 8.290 nan 0.000 0.471 509 A N 3.090 125.840 122.820 -0.117 0.000 2.522 509 A HA 0.559 4.887 4.320 0.012 0.000 0.291 509 A C -1.945 175.666 177.584 0.044 0.000 1.039 509 A CA -1.024 51.020 52.037 0.011 0.000 0.643 509 A CB 1.200 20.252 19.000 0.086 0.000 1.310 509 A HN 0.967 nan 8.150 nan 0.000 0.436 510 K N 0.187 120.608 120.400 0.035 0.000 2.098 510 K HA 0.660 4.987 4.320 0.012 0.000 0.257 510 K C -2.684 173.923 176.600 0.012 0.000 0.999 510 K CA -1.564 54.737 56.287 0.024 0.000 0.924 510 K CB 0.372 32.879 32.500 0.011 0.000 1.028 510 K HN 0.281 nan 8.250 nan 0.000 0.466 511 P HA -0.022 nan 4.420 nan 0.000 0.266 511 P C 0.578 177.845 177.300 -0.055 0.000 1.195 511 P CA 0.981 64.036 63.100 -0.075 0.000 0.768 511 P CB 0.667 32.311 31.700 -0.092 0.000 0.838 512 G N 0.841 109.598 108.800 -0.072 0.000 2.313 512 G HA2 -0.213 3.754 3.960 0.012 0.000 0.215 512 G HA3 -0.213 3.754 3.960 0.012 0.000 0.215 512 G C -0.022 174.864 174.900 -0.023 0.000 1.023 512 G CA -0.040 45.032 45.100 -0.046 0.000 0.626 512 G HN 0.540 nan 8.290 nan 0.000 0.503 513 V N 2.924 122.837 119.914 -0.003 0.000 2.637 513 V HA 0.453 4.581 4.120 0.012 0.000 0.296 513 V C 0.957 177.073 176.094 0.036 0.000 1.046 513 V CA 0.637 62.950 62.300 0.021 0.000 1.066 513 V CB 1.131 32.982 31.823 0.047 0.000 0.968 513 V HN 0.434 nan 8.190 nan 0.000 0.483 514 T N 6.210 120.782 114.554 0.031 0.000 2.817 514 T HA 0.604 4.962 4.350 0.012 0.000 0.293 514 T C -0.077 174.663 174.700 0.068 0.000 0.964 514 T CA -0.134 61.989 62.100 0.039 0.000 1.085 514 T CB 0.495 69.375 68.868 0.019 0.000 0.921 514 T HN 0.663 nan 8.240 nan 0.000 0.502 515 I N -0.479 120.137 120.570 0.077 0.000 2.530 515 I HA 0.614 4.792 4.170 0.012 0.000 0.297 515 I C -0.352 175.784 176.117 0.031 0.000 1.011 515 I CA -0.902 60.452 61.300 0.091 0.000 1.107 515 I CB 1.940 40.020 38.000 0.133 0.000 1.285 515 I HN 0.330 nan 8.210 nan 0.000 0.436 516 T N 6.862 121.440 114.554 0.041 0.000 2.771 516 T HA 0.528 4.886 4.350 0.012 0.000 0.291 516 T C 0.112 174.795 174.700 -0.029 0.000 0.954 516 T CA -0.208 61.898 62.100 0.009 0.000 1.045 516 T CB 0.710 69.599 68.868 0.035 0.000 0.917 516 T HN 0.377 nan 8.240 nan 0.000 0.484 517 I N 3.570 124.093 120.570 -0.078 0.000 2.330 517 I HA 0.340 4.518 4.170 0.012 0.000 0.289 517 I C -0.294 175.848 176.117 0.042 0.000 1.001 517 I CA -0.787 60.443 61.300 -0.117 0.000 1.193 517 I CB 1.242 39.082 38.000 -0.266 0.000 1.345 517 I HN 0.459 nan 8.210 nan 0.000 0.461 518 D N 4.654 125.049 120.400 -0.009 0.000 2.198 518 D HA 0.778 5.426 4.640 0.012 0.000 0.247 518 D C 0.284 176.447 176.300 -0.229 0.000 1.010 518 D CA 0.095 54.034 54.000 -0.102 0.000 0.880 518 D CB 2.706 43.398 40.800 -0.180 0.000 1.209 518 D HN 0.831 nan 8.370 nan 0.000 0.451 519 G N 0.605 109.059 108.800 -0.577 0.000 2.336 519 G HA2 0.296 4.263 3.960 0.012 0.000 0.286 519 G HA3 0.296 4.263 3.960 0.012 0.000 0.286 519 G C -1.491 172.913 174.900 -0.828 0.000 1.269 519 G CA -0.767 43.932 45.100 -0.669 0.000 0.873 519 G HN 0.303 nan 8.290 nan 0.000 0.494 520 R N -0.867 119.284 120.500 -0.581 0.000 2.725 520 R HA 0.619 4.966 4.340 0.012 0.000 0.277 520 R C 0.497 176.642 176.300 -0.259 0.000 0.987 520 R CA -0.122 55.764 56.100 -0.356 0.000 0.901 520 R CB 1.529 31.841 30.300 0.020 0.000 1.207 520 R HN 2.280 nan 8.270 nan 0.000 0.463 521 G N 1.335 110.057 108.800 -0.131 0.000 2.147 521 G HA2 -0.256 3.712 3.960 0.012 0.000 0.244 521 G HA3 -0.256 3.712 3.960 0.012 0.000 0.244 521 G C 0.247 175.287 174.900 0.233 0.000 1.005 521 G CA -0.081 45.047 45.100 0.046 0.000 0.713 521 G HN 0.483 nan 8.290 nan 0.000 0.515 522 F N 1.031 120.986 119.950 0.009 0.000 2.604 522 F HA 0.364 4.899 4.527 0.012 0.000 0.298 522 F C 1.919 177.891 175.800 0.287 0.000 1.131 522 F CA 1.024 59.015 58.000 -0.014 0.000 1.457 522 F CB -0.606 38.188 39.000 -0.343 0.000 1.095 522 F HN 1.244 nan 8.300 nan 0.000 0.574 523 G N -0.370 108.688 108.800 0.431 0.000 2.785 523 G HA2 -0.171 3.796 3.960 0.012 0.000 0.686 523 G HA3 -0.171 3.796 3.960 0.012 0.000 0.686 523 G C 0.598 175.789 174.900 0.486 0.000 1.155 523 G CA -0.244 45.102 45.100 0.409 0.000 0.760 523 G HN 0.075 nan 8.290 nan 0.000 0.624 524 S N -0.225 115.637 115.700 0.269 0.000 2.515 524 S HA 0.290 4.767 4.470 0.012 0.000 0.231 524 S C 1.374 176.088 174.600 0.189 0.000 0.987 524 S CA 1.215 59.550 58.200 0.225 0.000 0.936 524 S CB 0.136 63.406 63.200 0.117 0.000 0.766 524 S HN 1.604 nan 8.310 nan 0.000 0.528 525 S N 1.024 116.763 115.700 0.066 0.000 2.532 525 S HA 0.469 4.947 4.470 0.012 0.000 0.301 525 S C -0.587 173.456 174.600 -0.928 0.000 1.083 525 S CA -0.911 57.150 58.200 -0.232 0.000 1.025 525 S CB 1.192 64.289 63.200 -0.171 0.000 1.056 525 S HN 0.221 nan 8.310 nan 0.000 0.494 526 K N 1.921 121.714 120.400 -1.011 0.000 2.524 526 K HA 0.321 4.648 4.320 0.012 0.000 0.279 526 K C 0.619 176.336 176.600 -1.472 0.000 0.993 526 K CA 0.823 56.217 56.287 -1.488 0.000 1.030 526 K CB -0.137 32.019 32.500 -0.573 0.000 0.891 526 K HN 0.751 nan 8.250 nan 0.000 0.488 527 G N 1.741 109.259 108.800 -2.137 0.000 3.340 527 G HA2 0.377 4.344 3.960 0.012 0.000 0.176 527 G HA3 0.377 4.344 3.960 0.012 0.000 0.176 527 G C -1.133 173.605 174.900 -0.270 0.000 1.103 527 G CA -0.402 44.169 45.100 -0.881 0.000 0.779 527 G HN 0.561 nan 8.290 nan 0.000 0.673 528 T N -0.099 114.512 114.554 0.096 0.000 2.893 528 T HA 0.606 4.964 4.350 0.012 0.000 0.293 528 T C -0.909 173.872 174.700 0.134 0.000 1.027 528 T CA -0.288 61.853 62.100 0.069 0.000 0.988 528 T CB 2.170 71.022 68.868 -0.026 0.000 1.043 528 T HN 0.328 nan 8.240 nan 0.000 0.461 529 V N 2.571 122.465 119.914 -0.033 0.000 2.630 529 V HA 0.552 4.680 4.120 0.012 0.000 0.305 529 V C -1.336 174.622 176.094 -0.227 0.000 1.046 529 V CA -0.780 61.468 62.300 -0.087 0.000 0.934 529 V CB 1.359 33.117 31.823 -0.107 0.000 1.003 529 V HN 0.829 nan 8.190 nan 0.000 0.451 530 Y N 2.810 122.988 120.300 -0.202 0.000 2.361 530 Y HA 0.547 5.104 4.550 0.012 0.000 0.337 530 Y C -0.421 175.312 175.900 -0.279 0.000 0.965 530 Y CA -0.725 57.295 58.100 -0.134 0.000 1.091 530 Y CB 1.802 40.219 38.460 -0.073 0.000 1.182 530 Y HN 0.527 nan 8.280 nan 0.000 0.450 531 F N 2.873 122.828 119.950 0.009 0.000 2.434 531 F HA 0.510 5.045 4.527 0.012 0.000 0.316 531 F C 0.940 176.768 175.800 0.046 0.000 1.222 531 F CA 0.122 58.077 58.000 -0.075 0.000 1.207 531 F CB 0.493 39.318 39.000 -0.290 0.000 1.466 531 F HN 0.810 nan 8.300 nan 0.000 0.545 532 G N 1.209 110.185 108.800 0.295 0.000 2.947 532 G HA2 -0.353 3.615 3.960 0.012 0.000 0.251 532 G HA3 -0.353 3.615 3.960 0.012 0.000 0.251 532 G C 1.053 176.117 174.900 0.272 0.000 1.481 532 G CA 0.255 45.555 45.100 0.333 0.000 1.006 532 G HN 0.507 nan 8.290 nan 0.000 0.561 533 T N -1.576 113.134 114.554 0.260 0.000 3.023 533 T HA 0.442 4.799 4.350 0.012 0.000 0.253 533 T C 0.936 175.772 174.700 0.226 0.000 1.038 533 T CA 1.465 63.709 62.100 0.240 0.000 0.962 533 T CB 0.371 69.338 68.868 0.166 0.000 1.018 533 T HN 0.753 nan 8.240 nan 0.000 0.521 534 T N 3.258 117.912 114.554 0.167 0.000 2.761 534 T HA 0.652 5.009 4.350 0.012 0.000 0.296 534 T C 0.030 174.709 174.700 -0.034 0.000 0.934 534 T CA -0.363 61.771 62.100 0.057 0.000 1.091 534 T CB 0.775 69.644 68.868 0.002 0.000 0.896 534 T HN 0.544 nan 8.240 nan 0.000 0.515 535 A N 3.705 126.418 122.820 -0.180 0.000 2.317 535 A HA 0.747 5.075 4.320 0.012 0.000 0.327 535 A C -0.402 177.039 177.584 -0.239 0.000 1.178 535 A CA -0.617 51.147 52.037 -0.455 0.000 0.817 535 A CB 0.845 19.450 19.000 -0.659 0.000 1.189 535 A HN 0.667 nan 8.150 nan 0.000 0.489 536 V N 1.832 121.620 119.914 -0.210 0.000 2.628 536 V HA 0.763 4.891 4.120 0.012 0.000 0.306 536 V C -0.007 176.034 176.094 -0.089 0.000 1.045 536 V CA -0.326 61.918 62.300 -0.095 0.000 0.905 536 V CB 1.728 33.549 31.823 -0.003 0.000 0.997 536 V HN 1.109 nan 8.190 nan 0.000 0.436 537 S N 1.325 116.986 115.700 -0.065 0.000 2.671 537 S HA 0.909 5.386 4.470 0.012 0.000 0.277 537 S C 0.256 174.829 174.600 -0.044 0.000 1.165 537 S CA -0.218 57.946 58.200 -0.059 0.000 0.822 537 S CB 1.385 64.534 63.200 -0.086 0.000 1.150 537 S HN 1.793 nan 8.310 nan 0.000 0.479 538 G N 1.429 110.197 108.800 -0.054 0.000 2.581 538 G HA2 0.003 3.971 3.960 0.012 0.000 0.291 538 G HA3 0.003 3.971 3.960 0.012 0.000 0.291 538 G C 1.180 176.068 174.900 -0.019 0.000 1.277 538 G CA 0.827 45.900 45.100 -0.045 0.000 0.959 538 G HN 1.930 nan 8.290 nan 0.000 0.554 539 A N -1.272 121.536 122.820 -0.019 0.000 1.997 539 A HA -0.323 4.004 4.320 0.012 0.000 0.226 539 A C 2.011 179.594 177.584 -0.002 0.000 1.327 539 A CA 3.248 55.279 52.037 -0.010 0.000 0.693 539 A CB -0.915 18.075 19.000 -0.016 0.000 0.832 539 A HN 0.882 nan 8.150 nan 0.000 0.497 540 D N -0.677 119.719 120.400 -0.006 0.000 2.263 540 D HA -0.021 4.627 4.640 0.012 0.000 0.208 540 D C 0.741 177.055 176.300 0.023 0.000 0.971 540 D CA 0.722 54.721 54.000 -0.002 0.000 0.867 540 D CB -0.271 40.518 40.800 -0.017 0.000 0.929 540 D HN 0.576 nan 8.370 nan 0.000 0.492 541 I N 1.720 122.316 120.570 0.043 0.000 2.191 541 I HA -0.010 4.168 4.170 0.012 0.000 0.289 541 I C 1.689 177.857 176.117 0.085 0.000 1.141 541 I CA -0.117 61.236 61.300 0.088 0.000 1.430 541 I CB 0.309 38.403 38.000 0.157 0.000 1.497 541 I HN -0.102 nan 8.210 nan 0.000 0.636 542 T N 0.434 115.021 114.554 0.054 0.000 2.896 542 T HA -0.153 4.204 4.350 0.012 0.000 0.270 542 T C 0.725 175.462 174.700 0.062 0.000 1.104 542 T CA 1.295 63.422 62.100 0.045 0.000 1.115 542 T CB -0.051 68.832 68.868 0.024 0.000 0.843 542 T HN 0.532 nan 8.240 nan 0.000 0.523 543 S N -0.532 115.223 115.700 0.091 0.000 2.562 543 S HA 0.455 4.933 4.470 0.012 0.000 0.274 543 S C -2.013 172.696 174.600 0.183 0.000 1.160 543 S CA -0.910 57.356 58.200 0.110 0.000 0.933 543 S CB 1.279 64.514 63.200 0.057 0.000 1.100 543 S HN 0.474 nan 8.310 nan 0.000 0.468 544 W N 5.218 126.525 121.300 0.013 0.000 2.631 544 W HA 0.504 5.171 4.660 0.012 0.000 0.321 544 W C -1.096 175.452 176.519 0.048 0.000 1.004 544 W CA -0.378 56.985 57.345 0.030 0.000 1.291 544 W CB 1.342 30.809 29.460 0.011 0.000 1.300 544 W HN 0.916 nan 8.180 nan 0.000 0.422 545 E N 1.646 121.905 120.200 0.099 0.000 2.334 545 E HA 0.073 4.431 4.350 0.012 0.000 0.256 545 E C 0.072 176.712 176.600 0.068 0.000 0.958 545 E CA -0.486 55.987 56.400 0.121 0.000 0.821 545 E CB 2.014 31.737 29.700 0.038 0.000 1.269 545 E HN 0.310 nan 8.360 nan 0.000 0.413 546 D N -0.287 120.153 120.400 0.065 0.000 2.097 546 D HA -0.157 4.491 4.640 0.012 0.000 0.197 546 D C 1.822 178.008 176.300 -0.189 0.000 0.984 546 D CA 2.317 56.329 54.000 0.020 0.000 0.826 546 D CB 0.150 40.957 40.800 0.011 0.000 0.973 546 D HN 0.480 nan 8.370 nan 0.000 0.460 547 T N -3.028 111.410 114.554 -0.194 0.000 3.031 547 T HA 0.044 4.401 4.350 0.012 0.000 0.254 547 T C 1.063 175.605 174.700 -0.264 0.000 1.060 547 T CA 0.023 61.934 62.100 -0.316 0.000 1.135 547 T CB 0.085 68.839 68.868 -0.189 0.000 0.896 547 T HN 0.146 nan 8.240 nan 0.000 0.472 548 Q N -0.279 119.462 119.800 -0.098 0.000 2.378 548 Q HA 0.754 5.101 4.340 0.012 0.000 0.276 548 Q C -1.737 174.249 176.000 -0.024 0.000 1.083 548 Q CA -1.189 54.596 55.803 -0.030 0.000 0.856 548 Q CB 1.826 30.538 28.738 -0.042 0.000 1.383 548 Q HN 0.487 nan 8.270 nan 0.000 0.458 549 I N 1.735 122.270 120.570 -0.058 0.000 2.685 549 I HA 0.272 4.450 4.170 0.012 0.000 0.289 549 I C -1.428 174.637 176.117 -0.087 0.000 1.292 549 I CA -0.620 60.587 61.300 -0.157 0.000 1.050 549 I CB 2.208 39.967 38.000 -0.402 0.000 1.301 549 I HN 0.460 nan 8.210 nan 0.000 0.425 550 K N 5.532 125.912 120.400 -0.033 0.000 2.425 550 K HA 0.675 5.003 4.320 0.012 0.000 0.259 550 K C -1.230 175.377 176.600 0.013 0.000 0.978 550 K CA -0.650 55.633 56.287 -0.007 0.000 0.883 550 K CB 3.040 35.545 32.500 0.009 0.000 1.110 550 K HN 0.264 nan 8.250 nan 0.000 0.436 551 V N 3.248 123.170 119.914 0.012 0.000 2.735 551 V HA 0.314 4.442 4.120 0.012 0.000 0.310 551 V C -1.152 174.975 176.094 0.054 0.000 1.061 551 V CA -0.950 61.377 62.300 0.044 0.000 0.913 551 V CB 1.857 33.716 31.823 0.060 0.000 1.005 551 V HN 0.635 nan 8.190 nan 0.000 0.428 552 K N 6.940 127.357 120.400 0.029 0.000 2.248 552 K HA 0.507 4.834 4.320 0.012 0.000 0.281 552 K C -0.382 176.165 176.600 -0.088 0.000 1.054 552 K CA -0.368 55.910 56.287 -0.014 0.000 0.903 552 K CB 1.215 33.699 32.500 -0.027 0.000 1.077 552 K HN 0.580 nan 8.250 nan 0.000 0.474 553 I N 5.306 125.780 120.570 -0.160 0.000 2.821 553 I HA -0.065 4.113 4.170 0.012 0.000 0.294 553 I C -1.780 174.060 176.117 -0.460 0.000 1.210 553 I CA -1.482 59.531 61.300 -0.478 0.000 1.430 553 I CB -0.318 37.500 38.000 -0.304 0.000 1.356 553 I HN 0.309 nan 8.210 nan 0.000 0.563 554 P HA -0.003 nan 4.420 nan 0.000 0.268 554 P C -0.305 176.806 177.300 -0.314 0.000 1.208 554 P CA -0.334 62.520 63.100 -0.410 0.000 0.777 554 P CB 0.584 32.021 31.700 -0.438 0.000 0.875 555 A N 2.629 125.336 122.820 -0.188 0.000 3.029 555 A HA 0.320 4.648 4.320 0.012 0.000 0.251 555 A C 0.806 178.324 177.584 -0.110 0.000 1.749 555 A CA -0.338 51.623 52.037 -0.126 0.000 1.386 555 A CB -1.557 17.395 19.000 -0.081 0.000 1.043 555 A HN 0.457 nan 8.150 nan 0.000 0.638 556 V N -2.018 117.802 119.914 -0.157 0.000 3.610 556 V HA 0.839 4.967 4.120 0.012 0.000 0.285 556 V C 0.643 176.741 176.094 0.006 0.000 1.012 556 V CA -0.543 61.694 62.300 -0.105 0.000 0.975 556 V CB 0.660 32.326 31.823 -0.262 0.000 1.247 556 V HN 0.814 nan 8.190 nan 0.000 0.424 557 A N 0.135 123.028 122.820 0.121 0.000 2.327 557 A HA 0.699 5.027 4.320 0.012 0.000 0.283 557 A C 0.712 178.438 177.584 0.237 0.000 1.127 557 A CA 0.005 52.134 52.037 0.153 0.000 0.810 557 A CB -0.015 19.071 19.000 0.143 0.000 1.066 557 A HN 1.945 nan 8.150 nan 0.000 0.492 558 G N 0.297 109.187 108.800 0.151 0.000 2.305 558 G HA2 0.540 4.508 3.960 0.012 0.000 0.243 558 G HA3 0.540 4.508 3.960 0.012 0.000 0.243 558 G C 0.420 175.405 174.900 0.142 0.000 1.288 558 G CA 0.696 45.887 45.100 0.152 0.000 0.901 558 G HN 1.750 nan 8.290 nan 0.000 0.516 559 G N 1.415 110.308 108.800 0.155 0.000 2.323 559 G HA2 0.321 4.288 3.960 0.012 0.000 0.291 559 G HA3 0.321 4.288 3.960 0.012 0.000 0.291 559 G C -1.344 173.516 174.900 -0.067 0.000 1.278 559 G CA -1.060 44.021 45.100 -0.032 0.000 0.860 559 G HN 0.723 nan 8.290 nan 0.000 0.504 560 N N -0.364 118.190 118.700 -0.243 0.000 2.419 560 N HA 0.699 5.446 4.740 0.012 0.000 0.277 560 N C -1.476 173.865 175.510 -0.283 0.000 1.006 560 N CA -0.163 52.815 53.050 -0.119 0.000 0.923 560 N CB 1.292 39.742 38.487 -0.061 0.000 1.140 560 N HN 0.439 nan 8.380 nan 0.000 0.488 561 Y N 0.164 120.601 120.300 0.229 0.000 2.536 561 Y HA 0.440 4.998 4.550 0.013 0.000 0.347 561 Y C -0.254 175.768 175.900 0.204 0.000 1.000 561 Y CA -1.125 57.116 58.100 0.234 0.000 1.051 561 Y CB 1.456 40.117 38.460 0.335 0.000 1.259 561 Y HN 0.389 nan 8.280 nan 0.000 0.468 562 N N 2.762 121.647 118.700 0.309 0.000 2.558 562 N HA 0.234 4.981 4.740 0.012 0.000 0.233 562 N C -0.739 174.835 175.510 0.106 0.000 1.038 562 N CA -0.218 52.936 53.050 0.174 0.000 0.934 562 N CB 1.020 39.571 38.487 0.107 0.000 1.175 562 N HN 0.662 nan 8.380 nan 0.000 0.512 563 I N 1.178 121.770 120.570 0.037 0.000 2.575 563 I HA 0.188 4.365 4.170 0.012 0.000 0.285 563 I C 0.128 176.182 176.117 -0.105 0.000 1.085 563 I CA 0.072 61.257 61.300 -0.192 0.000 1.403 563 I CB 0.551 38.289 38.000 -0.436 0.000 1.409 563 I HN 0.352 nan 8.210 nan 0.000 0.557 564 K N 6.278 126.587 120.400 -0.151 0.000 2.571 564 K HA 0.620 4.947 4.320 0.012 0.000 0.289 564 K C -1.725 174.813 176.600 -0.102 0.000 1.028 564 K CA -0.618 55.607 56.287 -0.103 0.000 0.895 564 K CB 2.158 34.612 32.500 -0.076 0.000 1.534 564 K HN 0.492 nan 8.250 nan 0.000 0.421 565 V N -2.734 117.112 119.914 -0.114 0.000 3.119 565 V HA 1.020 5.148 4.120 0.012 0.000 0.309 565 V C -1.406 174.710 176.094 0.036 0.000 1.304 565 V CA -0.403 61.845 62.300 -0.087 0.000 1.057 565 V CB 1.323 32.887 31.823 -0.432 0.000 1.150 565 V HN 1.104 nan 8.190 nan 0.000 0.474 566 A N 1.108 124.006 122.820 0.129 0.000 2.572 566 A HA 0.645 4.973 4.320 0.012 0.000 0.303 566 A C -0.698 177.053 177.584 0.279 0.000 1.059 566 A CA -0.406 51.732 52.037 0.169 0.000 0.788 566 A CB 0.415 19.520 19.000 0.175 0.000 1.282 566 A HN 1.605 nan 8.150 nan 0.000 0.397 567 N N 1.503 120.349 118.700 0.243 0.000 2.231 567 N HA 0.329 5.076 4.740 0.012 0.000 0.223 567 N C 1.044 176.602 175.510 0.081 0.000 1.329 567 N CA 0.122 53.332 53.050 0.266 0.000 0.889 567 N CB 0.384 38.993 38.487 0.203 0.000 1.125 567 N HN 1.156 nan 8.380 nan 0.000 0.447 568 A N -1.846 120.945 122.820 -0.048 0.000 2.247 568 A HA 0.292 4.619 4.320 0.012 0.000 0.205 568 A C 1.469 179.022 177.584 -0.051 0.000 1.261 568 A CA 0.872 52.827 52.037 -0.135 0.000 0.853 568 A CB -1.329 17.539 19.000 -0.220 0.000 0.793 568 A HN 0.803 nan 8.150 nan 0.000 0.487 569 A N -2.664 120.156 122.820 0.001 0.000 2.127 569 A HA 0.504 4.831 4.320 0.012 0.000 0.204 569 A C 1.651 179.247 177.584 0.021 0.000 1.243 569 A CA 1.196 53.239 52.037 0.010 0.000 0.887 569 A CB 0.089 19.103 19.000 0.022 0.000 0.933 569 A HN 1.583 nan 8.150 nan 0.000 0.479 570 G N -1.135 107.688 108.800 0.039 0.000 2.617 570 G HA2 -0.169 3.798 3.960 0.012 0.000 0.197 570 G HA3 -0.169 3.798 3.960 0.012 0.000 0.197 570 G C 0.419 175.344 174.900 0.041 0.000 1.017 570 G CA 0.043 45.169 45.100 0.044 0.000 0.713 570 G HN 0.814 nan 8.290 nan 0.000 0.481 571 T N 2.569 117.148 114.554 0.042 0.000 2.708 571 T HA 0.459 4.817 4.350 0.012 0.000 0.271 571 T C 0.856 175.579 174.700 0.039 0.000 0.985 571 T CA 0.722 62.844 62.100 0.036 0.000 1.229 571 T CB 0.975 69.871 68.868 0.045 0.000 0.934 571 T HN 1.409 nan 8.240 nan 0.000 0.522 572 A N 4.070 126.891 122.820 0.000 0.000 2.296 572 A HA 0.661 4.989 4.320 0.012 0.000 0.264 572 A C 0.929 178.505 177.584 -0.014 0.000 1.097 572 A CA -0.530 51.490 52.037 -0.029 0.000 0.811 572 A CB 0.330 19.265 19.000 -0.108 0.000 1.072 572 A HN 0.927 nan 8.150 nan 0.000 0.495 573 S N 0.400 116.084 115.700 -0.027 0.000 2.713 573 S HA 0.473 4.950 4.470 0.012 0.000 0.296 573 S C -0.021 174.570 174.600 -0.015 0.000 1.114 573 S CA -0.556 57.641 58.200 -0.005 0.000 0.997 573 S CB 0.319 63.523 63.200 0.006 0.000 1.249 573 S HN 0.932 nan 8.310 nan 0.000 0.534 574 N N -0.018 118.687 118.700 0.009 0.000 2.513 574 N HA 0.281 5.028 4.740 0.012 0.000 0.274 574 N C -0.571 174.959 175.510 0.033 0.000 1.189 574 N CA -0.507 52.553 53.050 0.017 0.000 0.975 574 N CB 0.546 39.051 38.487 0.031 0.000 1.157 574 N HN 0.429 nan 8.380 nan 0.000 0.465 575 V N 1.024 120.958 119.914 0.033 0.000 2.607 575 V HA 0.130 4.257 4.120 0.012 0.000 0.289 575 V C -0.769 175.392 176.094 0.111 0.000 1.053 575 V CA -0.518 61.811 62.300 0.048 0.000 0.996 575 V CB 0.232 32.065 31.823 0.017 0.000 0.995 575 V HN 0.658 nan 8.190 nan 0.000 0.476 576 Y N 3.969 124.259 120.300 -0.018 0.000 2.345 576 Y HA 0.426 4.984 4.550 0.013 0.000 0.331 576 Y C 0.032 175.949 175.900 0.027 0.000 0.959 576 Y CA -0.951 57.149 58.100 0.000 0.000 1.204 576 Y CB 0.843 39.286 38.460 -0.029 0.000 1.135 576 Y HN 0.768 nan 8.280 nan 0.000 0.477 577 D N 2.871 123.180 120.400 -0.151 0.000 2.440 577 D HA 0.240 4.887 4.640 0.012 0.000 0.258 577 D C 0.015 176.293 176.300 -0.035 0.000 1.092 577 D CA -0.697 53.283 54.000 -0.034 0.000 1.016 577 D CB 1.320 42.100 40.800 -0.034 0.000 1.141 577 D HN 0.638 nan 8.370 nan 0.000 0.552 578 N N -1.864 116.868 118.700 0.053 0.000 2.984 578 N HA -0.220 4.528 4.740 0.012 0.000 0.227 578 N C -0.767 174.821 175.510 0.129 0.000 0.903 578 N CA 0.143 53.224 53.050 0.053 0.000 0.995 578 N CB -1.588 36.887 38.487 -0.019 0.000 1.065 578 N HN 0.429 nan 8.380 nan 0.000 0.585 579 F N 2.607 122.633 119.950 0.127 0.000 2.533 579 F HA 0.203 4.737 4.527 0.013 0.000 0.378 579 F C 0.761 176.686 175.800 0.207 0.000 1.070 579 F CA 0.100 58.214 58.000 0.190 0.000 1.172 579 F CB 0.368 39.518 39.000 0.251 0.000 1.085 579 F HN 0.018 nan 8.300 nan 0.000 0.552 580 E N 5.649 125.583 120.200 -0.443 0.000 2.167 580 E HA 0.293 4.651 4.350 0.012 0.000 0.284 580 E C -1.249 175.191 176.600 -0.267 0.000 1.016 580 E CA -0.626 55.641 56.400 -0.223 0.000 0.817 580 E CB 1.284 30.882 29.700 -0.171 0.000 1.080 580 E HN 0.452 nan 8.360 nan 0.000 0.397 581 V N 6.554 126.550 119.914 0.137 0.000 2.383 581 V HA 0.207 4.335 4.120 0.012 0.000 0.275 581 V C 0.508 176.663 176.094 0.102 0.000 1.036 581 V CA -0.395 62.029 62.300 0.206 0.000 0.889 581 V CB 0.957 32.998 31.823 0.364 0.000 0.985 581 V HN 0.656 nan 8.190 nan 0.000 0.459 582 L N 3.517 124.767 121.223 0.045 0.000 2.456 582 L HA 0.306 4.653 4.340 0.012 0.000 0.257 582 L C 1.057 177.953 176.870 0.043 0.000 1.162 582 L CA -0.074 54.784 54.840 0.030 0.000 0.808 582 L CB 1.054 43.117 42.059 0.006 0.000 1.136 582 L HN 0.583 nan 8.230 nan 0.000 0.466 583 S N 0.996 116.719 115.700 0.038 0.000 2.582 583 S HA 0.449 4.926 4.470 0.012 0.000 0.249 583 S C 0.444 175.057 174.600 0.022 0.000 1.072 583 S CA 0.251 58.472 58.200 0.035 0.000 1.115 583 S CB -0.219 63.004 63.200 0.038 0.000 0.790 583 S HN 0.983 nan 8.310 nan 0.000 0.459 584 G N 1.737 110.547 108.800 0.017 0.000 2.472 584 G HA2 -0.148 3.819 3.960 0.012 0.000 0.205 584 G HA3 -0.148 3.819 3.960 0.012 0.000 0.205 584 G C -1.057 173.849 174.900 0.009 0.000 1.270 584 G CA -0.815 44.291 45.100 0.011 0.000 0.974 584 G HN 0.410 nan 8.290 nan 0.000 0.542 585 D N 0.808 121.212 120.400 0.007 0.000 2.312 585 D HA 0.507 5.155 4.640 0.012 0.000 0.244 585 D C 0.887 177.191 176.300 0.006 0.000 1.328 585 D CA 0.579 54.580 54.000 0.002 0.000 0.965 585 D CB 0.181 40.982 40.800 0.002 0.000 1.140 585 D HN 0.601 nan 8.370 nan 0.000 0.523 586 Q N -1.124 118.676 119.800 0.000 0.000 2.590 586 Q HA 0.629 4.976 4.340 0.012 0.000 0.295 586 Q C -1.466 174.549 176.000 0.026 0.000 0.973 586 Q CA -1.000 54.813 55.803 0.017 0.000 0.768 586 Q CB 2.450 31.192 28.738 0.006 0.000 1.479 586 Q HN 0.372 nan 8.270 nan 0.000 0.419 587 V N -2.609 117.343 119.914 0.063 0.000 2.932 587 V HA 0.579 4.707 4.120 0.012 0.000 0.307 587 V C -0.521 175.654 176.094 0.134 0.000 1.147 587 V CA -0.839 61.516 62.300 0.092 0.000 0.951 587 V CB 1.893 33.778 31.823 0.103 0.000 1.031 587 V HN 0.678 nan 8.190 nan 0.000 0.426 588 S N 2.050 117.858 115.700 0.180 0.000 2.448 588 S HA 0.669 5.147 4.470 0.012 0.000 0.279 588 S C -0.330 174.379 174.600 0.182 0.000 1.195 588 S CA -0.247 58.098 58.200 0.242 0.000 1.051 588 S CB 0.412 63.886 63.200 0.456 0.000 0.948 588 S HN 0.770 nan 8.310 nan 0.000 0.493 589 V N 6.090 126.072 119.914 0.113 0.000 2.604 589 V HA 0.495 4.623 4.120 0.012 0.000 0.305 589 V C 0.220 176.200 176.094 -0.191 0.000 1.043 589 V CA -0.968 61.277 62.300 -0.092 0.000 0.888 589 V CB 1.798 33.476 31.823 -0.242 0.000 0.995 589 V HN 0.716 nan 8.190 nan 0.000 0.429 590 R N 3.075 123.442 120.500 -0.221 0.000 2.202 590 R HA 0.461 4.809 4.340 0.012 0.000 0.334 590 R C -1.418 174.692 176.300 -0.317 0.000 1.036 590 R CA -0.318 55.707 56.100 -0.125 0.000 0.878 590 R CB 0.396 30.694 30.300 -0.003 0.000 1.067 590 R HN 0.565 nan 8.270 nan 0.000 0.457 591 F N 3.643 123.552 119.950 -0.068 0.000 2.411 591 F HA 0.319 4.854 4.527 0.012 0.000 0.350 591 F C 0.070 175.876 175.800 0.009 0.000 1.114 591 F CA -0.534 57.408 58.000 -0.095 0.000 1.135 591 F CB 1.675 40.643 39.000 -0.053 0.000 1.120 591 F HN 0.073 nan 8.300 nan 0.000 0.495 592 V N 4.914 124.894 119.914 0.109 0.000 2.525 592 V HA 0.384 4.512 4.120 0.012 0.000 0.299 592 V C -0.898 175.207 176.094 0.019 0.000 1.034 592 V CA -0.859 61.434 62.300 -0.011 0.000 0.863 592 V CB 2.101 33.742 31.823 -0.303 0.000 0.999 592 V HN 0.511 nan 8.190 nan 0.000 0.423 593 V N 6.422 126.320 119.914 -0.025 0.000 2.435 593 V HA 0.592 4.719 4.120 0.012 0.000 0.290 593 V C -0.284 175.828 176.094 0.030 0.000 1.030 593 V CA -0.427 61.776 62.300 -0.163 0.000 0.881 593 V CB 1.838 33.262 31.823 -0.665 0.000 0.983 593 V HN 0.914 nan 8.190 nan 0.000 0.445 594 N N 4.844 123.575 118.700 0.052 0.000 2.417 594 N HA 0.418 5.165 4.740 0.012 0.000 0.300 594 N C -0.342 175.232 175.510 0.107 0.000 1.102 594 N CA -0.385 52.716 53.050 0.086 0.000 0.886 594 N CB 1.294 39.826 38.487 0.074 0.000 1.203 594 N HN 0.787 nan 8.380 nan 0.000 0.496 595 N N 0.078 118.813 118.700 0.058 0.000 2.708 595 N HA -0.192 4.555 4.740 0.012 0.000 0.255 595 N C -1.095 174.419 175.510 0.007 0.000 1.046 595 N CA 0.324 53.391 53.050 0.028 0.000 0.715 595 N CB -0.610 37.923 38.487 0.076 0.000 0.895 595 N HN 0.610 nan 8.380 nan 0.000 0.545 596 A N 0.907 123.690 122.820 -0.062 0.000 3.105 596 A HA 0.344 4.671 4.320 0.012 0.000 0.336 596 A C 0.732 178.214 177.584 -0.170 0.000 1.042 596 A CA -0.162 51.632 52.037 -0.406 0.000 0.851 596 A CB 0.350 19.000 19.000 -0.584 0.000 1.068 596 A HN 0.342 nan 8.150 nan 0.000 0.477 597 T N -0.077 114.380 114.554 -0.161 0.000 2.926 597 T HA 0.475 4.833 4.350 0.012 0.000 0.307 597 T C 0.718 175.487 174.700 0.115 0.000 1.059 597 T CA 0.657 62.807 62.100 0.083 0.000 1.122 597 T CB 0.760 69.652 68.868 0.041 0.000 0.972 597 T HN 0.988 nan 8.240 nan 0.000 0.545 598 T N -0.107 114.660 114.554 0.355 0.000 2.688 598 T HA 0.855 5.212 4.350 0.012 0.000 0.249 598 T C -0.050 174.722 174.700 0.119 0.000 0.944 598 T CA -0.427 61.767 62.100 0.157 0.000 1.058 598 T CB 0.993 69.983 68.868 0.203 0.000 1.673 598 T HN 1.400 nan 8.240 nan 0.000 0.565 599 A N -0.496 122.364 122.820 0.066 0.000 2.588 599 A HA 0.657 4.984 4.320 0.012 0.000 0.290 599 A C -0.796 176.800 177.584 0.019 0.000 1.136 599 A CA -0.967 51.094 52.037 0.040 0.000 0.681 599 A CB 0.494 19.515 19.000 0.035 0.000 1.282 599 A HN 0.912 nan 8.150 nan 0.000 0.421 600 L N 1.083 122.310 121.223 0.006 0.000 2.593 600 L HA 0.183 4.530 4.340 0.012 0.000 0.287 600 L C 1.712 178.590 176.870 0.014 0.000 1.243 600 L CA 2.519 57.359 54.840 -0.000 0.000 0.890 600 L CB -0.028 42.029 42.059 -0.003 0.000 1.134 600 L HN 1.721 nan 8.230 nan 0.000 0.502 601 G N 2.943 111.754 108.800 0.018 0.000 2.302 601 G HA2 -0.364 3.603 3.960 0.012 0.000 0.263 601 G HA3 -0.364 3.603 3.960 0.012 0.000 0.263 601 G C 0.511 175.441 174.900 0.050 0.000 0.995 601 G CA 0.761 45.882 45.100 0.034 0.000 0.622 601 G HN 0.704 nan 8.290 nan 0.000 0.538 602 Q N 0.914 120.741 119.800 0.044 0.000 2.293 602 Q HA 0.469 4.817 4.340 0.012 0.000 0.263 602 Q C -0.378 175.646 176.000 0.040 0.000 1.002 602 Q CA -0.395 55.430 55.803 0.037 0.000 0.910 602 Q CB 0.301 29.047 28.738 0.014 0.000 1.185 602 Q HN 0.348 nan 8.270 nan 0.000 0.401 603 N N 2.314 121.026 118.700 0.020 0.000 2.335 603 N HA 0.416 5.163 4.740 0.012 0.000 0.304 603 N C -1.264 174.049 175.510 -0.328 0.000 1.135 603 N CA -0.467 52.515 53.050 -0.112 0.000 0.817 603 N CB 2.112 40.552 38.487 -0.079 0.000 1.294 603 N HN 0.372 nan 8.380 nan 0.000 0.497 604 V N 1.867 121.286 119.914 -0.824 0.000 2.686 604 V HA 0.422 4.550 4.120 0.012 0.000 0.295 604 V C -0.606 175.194 176.094 -0.490 0.000 1.057 604 V CA -0.141 61.721 62.300 -0.730 0.000 1.012 604 V CB 0.307 31.306 31.823 -1.373 0.000 1.006 604 V HN 0.532 nan 8.190 nan 0.000 0.477 605 Y N 2.731 122.948 120.300 -0.138 0.000 2.698 605 Y HA 0.802 5.358 4.550 0.011 0.000 0.332 605 Y C -0.446 175.447 175.900 -0.011 0.000 1.119 605 Y CA -1.103 56.925 58.100 -0.120 0.000 1.109 605 Y CB 1.949 40.306 38.460 -0.172 0.000 1.308 605 Y HN 0.543 nan 8.280 nan 0.000 0.499 606 L N 0.749 121.991 121.223 0.032 0.000 2.476 606 L HA 0.723 5.071 4.340 0.012 0.000 0.269 606 L C -0.803 175.959 176.870 -0.181 0.000 0.965 606 L CA 0.076 54.804 54.840 -0.186 0.000 0.845 606 L CB 1.918 43.791 42.059 -0.310 0.000 1.259 606 L HN 0.650 nan 8.230 nan 0.000 0.403 607 T N 2.420 116.879 114.554 -0.157 0.000 2.883 607 T HA 0.996 5.354 4.350 0.012 0.000 0.284 607 T C -0.340 174.360 174.700 -0.001 0.000 1.041 607 T CA -0.019 62.052 62.100 -0.047 0.000 1.007 607 T CB 1.598 70.491 68.868 0.041 0.000 1.220 607 T HN 1.077 nan 8.240 nan 0.000 0.552 608 G N 0.014 108.847 108.800 0.056 0.000 2.634 608 G HA2 0.427 4.394 3.960 0.012 0.000 0.309 608 G HA3 0.427 4.394 3.960 0.012 0.000 0.309 608 G C 0.328 175.278 174.900 0.082 0.000 1.299 608 G CA 0.236 45.396 45.100 0.100 0.000 0.798 608 G HN 1.009 nan 8.290 nan 0.000 0.490 609 S N -1.571 114.181 115.700 0.087 0.000 2.575 609 S HA 0.323 4.800 4.470 0.012 0.000 0.215 609 S C 0.790 175.420 174.600 0.050 0.000 0.966 609 S CA 0.668 58.901 58.200 0.054 0.000 0.911 609 S CB -0.286 62.938 63.200 0.041 0.000 0.780 609 S HN 1.770 nan 8.310 nan 0.000 0.514 610 V N 0.094 120.045 119.914 0.062 0.000 2.555 610 V HA 0.673 4.801 4.120 0.012 0.000 0.302 610 V C 1.173 177.297 176.094 0.050 0.000 1.038 610 V CA -0.221 62.112 62.300 0.055 0.000 0.887 610 V CB 1.271 33.132 31.823 0.063 0.000 0.991 610 V HN 0.281 nan 8.190 nan 0.000 0.434 611 S N 1.669 117.395 115.700 0.043 0.000 2.441 611 S HA -0.228 4.250 4.470 0.012 0.000 0.242 611 S C 1.253 175.875 174.600 0.035 0.000 1.018 611 S CA 1.886 60.107 58.200 0.034 0.000 0.988 611 S CB -0.536 62.685 63.200 0.037 0.000 0.778 611 S HN 0.936 nan 8.310 nan 0.000 0.498 612 E N -0.010 120.219 120.200 0.049 0.000 2.285 612 E HA 0.183 4.540 4.350 0.012 0.000 0.194 612 E C 1.430 178.064 176.600 0.056 0.000 0.997 612 E CA 0.409 56.843 56.400 0.056 0.000 0.845 612 E CB -0.048 29.697 29.700 0.076 0.000 0.782 612 E HN 0.383 nan 8.360 nan 0.000 0.491 613 L N -1.997 119.253 121.223 0.045 0.000 2.556 613 L HA 0.342 4.689 4.340 0.012 0.000 0.226 613 L C 1.442 178.313 176.870 0.001 0.000 1.089 613 L CA 1.102 55.948 54.840 0.010 0.000 0.864 613 L CB 0.719 42.780 42.059 0.004 0.000 1.067 613 L HN 0.212 nan 8.230 nan 0.000 0.477 614 G N -1.467 107.343 108.800 0.017 0.000 2.318 614 G HA2 -0.224 3.744 3.960 0.012 0.000 0.172 614 G HA3 -0.224 3.744 3.960 0.012 0.000 0.172 614 G C 0.520 175.434 174.900 0.023 0.000 1.002 614 G CA 0.021 45.128 45.100 0.011 0.000 0.697 614 G HN 0.057 nan 8.290 nan 0.000 0.483 615 N N -0.560 118.160 118.700 0.035 0.000 2.721 615 N HA -0.152 4.595 4.740 0.012 0.000 0.249 615 N C 1.382 176.925 175.510 0.055 0.000 1.072 615 N CA 2.379 55.452 53.050 0.038 0.000 0.710 615 N CB -1.251 37.249 38.487 0.023 0.000 0.993 615 N HN 2.259 nan 8.380 nan 0.000 0.547 616 A N -1.727 121.146 122.820 0.089 0.000 3.396 616 A HA -0.266 4.062 4.320 0.012 0.000 0.267 616 A C 0.188 177.883 177.584 0.185 0.000 1.139 616 A CA 1.419 53.560 52.037 0.174 0.000 1.115 616 A CB -1.584 17.491 19.000 0.125 0.000 1.133 616 A HN 0.559 nan 8.150 nan 0.000 0.920 617 D N -0.238 120.212 120.400 0.084 0.000 2.338 617 D HA 0.438 5.086 4.640 0.012 0.000 0.255 617 D C -0.830 175.462 176.300 -0.013 0.000 1.237 617 D CA -1.645 52.383 54.000 0.045 0.000 0.883 617 D CB 0.802 41.607 40.800 0.007 0.000 1.087 617 D HN 0.202 nan 8.370 nan 0.000 0.485 618 P HA -0.136 nan 4.420 nan 0.000 0.220 618 P C 0.665 177.834 177.300 -0.219 0.000 1.144 618 P CA 1.009 63.987 63.100 -0.203 0.000 0.800 618 P CB 0.236 31.803 31.700 -0.222 0.000 0.772 619 A N -0.248 122.493 122.820 -0.132 0.000 1.984 619 A HA -0.043 4.284 4.320 0.012 0.000 0.214 619 A C 1.703 179.225 177.584 -0.102 0.000 1.173 619 A CA 0.920 52.882 52.037 -0.125 0.000 0.673 619 A CB -0.471 18.482 19.000 -0.078 0.000 0.830 619 A HN 0.187 nan 8.150 nan 0.000 0.453 620 K N 0.368 120.725 120.400 -0.073 0.000 2.446 620 K HA 0.464 4.792 4.320 0.012 0.000 0.203 620 K C 0.385 176.959 176.600 -0.042 0.000 1.027 620 K CA 0.185 56.446 56.287 -0.044 0.000 1.166 620 K CB 0.359 32.844 32.500 -0.024 0.000 0.869 620 K HN 0.366 nan 8.250 nan 0.000 0.504 621 A N 1.640 124.409 122.820 -0.086 0.000 2.425 621 A HA 0.267 4.594 4.320 0.012 0.000 0.242 621 A C 0.166 177.756 177.584 0.010 0.000 1.077 621 A CA -0.344 51.651 52.037 -0.070 0.000 0.781 621 A CB 0.167 19.073 19.000 -0.157 0.000 1.020 621 A HN 0.189 nan 8.150 nan 0.000 0.494 622 I N 1.580 122.155 120.570 0.008 0.000 2.325 622 I HA 0.624 4.802 4.170 0.012 0.000 0.291 622 I C 0.783 176.816 176.117 -0.140 0.000 1.019 622 I CA 0.547 61.831 61.300 -0.027 0.000 1.302 622 I CB -0.402 37.571 38.000 -0.044 0.000 1.401 622 I HN 0.893 nan 8.210 nan 0.000 0.485 623 G N 7.446 116.115 108.800 -0.219 0.000 2.327 623 G HA2 0.350 4.317 3.960 0.012 0.000 0.291 623 G HA3 0.350 4.317 3.960 0.012 0.000 0.291 623 G C -3.348 171.344 174.900 -0.347 0.000 1.290 623 G CA -0.663 44.061 45.100 -0.627 0.000 0.857 623 G HN 0.322 nan 8.290 nan 0.000 0.520 624 P HA 0.429 nan 4.420 nan 0.000 0.272 624 P C 0.123 177.021 177.300 -0.669 0.000 1.240 624 P CA -0.135 62.437 63.100 -0.880 0.000 0.791 624 P CB 0.409 31.836 31.700 -0.455 0.000 0.978 625 M N 0.814 120.134 119.600 -0.466 0.000 2.255 625 M HA 0.225 4.713 4.480 0.012 0.000 0.336 625 M C -0.019 176.366 176.300 0.141 0.000 1.135 625 M CA -0.127 55.032 55.300 -0.235 0.000 1.145 625 M CB 0.135 32.782 32.600 0.078 0.000 1.473 625 M HN 0.246 nan 8.290 nan 0.000 0.462 626 Y N 1.761 122.139 120.300 0.130 0.000 2.298 626 Y HA 0.190 4.747 4.550 0.012 0.000 0.329 626 Y C 0.912 176.839 175.900 0.045 0.000 1.293 626 Y CA -0.816 57.272 58.100 -0.019 0.000 1.388 626 Y CB 0.344 38.641 38.460 -0.272 0.000 1.309 626 Y HN 0.769 nan 8.280 nan 0.000 0.544 627 N N -1.817 117.047 118.700 0.272 0.000 2.278 627 N HA 0.026 4.773 4.740 0.012 0.000 0.239 627 N C -0.463 175.109 175.510 0.103 0.000 1.411 627 N CA -0.052 53.085 53.050 0.145 0.000 0.908 627 N CB -0.506 37.741 38.487 -0.399 0.000 1.307 627 N HN 0.654 nan 8.380 nan 0.000 0.522 628 Q N -0.326 119.576 119.800 0.170 0.000 2.499 628 Q HA 0.313 4.660 4.340 0.012 0.000 0.213 628 Q C 1.249 177.280 176.000 0.052 0.000 0.929 628 Q CA 0.814 56.653 55.803 0.060 0.000 0.904 628 Q CB 0.649 29.391 28.738 0.006 0.000 1.052 628 Q HN 0.103 nan 8.270 nan 0.000 0.589 629 V N 0.517 120.496 119.914 0.108 0.000 2.450 629 V HA -0.130 3.998 4.120 0.012 0.000 0.222 629 V C 2.194 178.231 176.094 -0.094 0.000 1.102 629 V CA 1.019 63.333 62.300 0.023 0.000 1.102 629 V CB -0.832 31.024 31.823 0.056 0.000 0.715 629 V HN 0.123 nan 8.190 nan 0.000 0.491 630 V N -1.049 118.750 119.914 -0.192 0.000 2.233 630 V HA -0.243 3.885 4.120 0.012 0.000 0.252 630 V C 0.886 176.601 176.094 -0.632 0.000 1.063 630 V CA 1.895 63.895 62.300 -0.500 0.000 1.032 630 V CB -0.896 30.473 31.823 -0.756 0.000 0.645 630 V HN 0.521 nan 8.190 nan 0.000 0.446 631 Y N -1.187 118.717 120.300 -0.660 0.000 2.524 631 Y HA 0.706 5.263 4.550 0.012 0.000 0.344 631 Y C -0.028 175.778 175.900 -0.156 0.000 1.012 631 Y CA -1.446 56.441 58.100 -0.354 0.000 1.068 631 Y CB 1.447 39.705 38.460 -0.336 0.000 1.249 631 Y HN 0.114 nan 8.280 nan 0.000 0.468 632 Q N 0.528 120.332 119.800 0.007 0.000 2.306 632 Q HA 0.337 4.685 4.340 0.012 0.000 0.265 632 Q C -1.337 174.628 176.000 -0.059 0.000 1.022 632 Q CA -1.017 54.775 55.803 -0.019 0.000 0.853 632 Q CB 1.859 30.576 28.738 -0.036 0.000 1.327 632 Q HN 0.608 nan 8.270 nan 0.000 0.449 633 Y N 3.399 123.551 120.300 -0.247 0.000 2.788 633 Y HA 0.061 4.617 4.550 0.010 0.000 0.341 633 Y C -1.554 174.254 175.900 -0.153 0.000 1.258 633 Y CA -1.029 56.869 58.100 -0.336 0.000 1.503 633 Y CB 0.667 38.903 38.460 -0.374 0.000 1.325 633 Y HN 0.505 nan 8.280 nan 0.000 0.614 634 P HA 0.162 nan 4.420 nan 0.000 0.220 634 P C -1.663 175.406 177.300 -0.386 0.000 1.778 634 P CA 0.141 62.486 63.100 -1.259 0.000 0.912 634 P CB -0.470 30.612 31.700 -1.030 0.000 1.861 635 N N 0.510 119.008 118.700 -0.336 0.000 2.372 635 N HA 0.418 5.165 4.740 0.012 0.000 0.285 635 N C -1.256 174.175 175.510 -0.133 0.000 1.008 635 N CA -0.626 52.383 53.050 -0.068 0.000 0.880 635 N CB 1.007 39.525 38.487 0.050 0.000 1.239 635 N HN 0.074 nan 8.380 nan 0.000 0.484 636 W N 2.579 123.918 121.300 0.065 0.000 2.702 636 W HA 0.456 5.121 4.660 0.009 0.000 0.331 636 W C -0.755 175.852 176.519 0.147 0.000 1.049 636 W CA -0.889 56.536 57.345 0.133 0.000 1.230 636 W CB 0.346 29.822 29.460 0.026 0.000 1.408 636 W HN 0.376 nan 8.180 nan 0.000 0.492 637 Y N 0.287 120.695 120.300 0.179 0.000 2.581 637 Y HA 0.832 5.389 4.550 0.012 0.000 0.345 637 Y C -1.981 174.092 175.900 0.289 0.000 1.036 637 Y CA -3.055 55.087 58.100 0.070 0.000 1.042 637 Y CB 1.476 39.778 38.460 -0.263 0.000 1.289 637 Y HN 0.498 nan 8.280 nan 0.000 0.471 638 Y N 0.784 121.105 120.300 0.034 0.000 2.521 638 Y HA 0.385 4.943 4.550 0.013 0.000 0.328 638 Y C -1.863 174.132 175.900 0.157 0.000 1.151 638 Y CA -1.390 56.685 58.100 -0.041 0.000 1.054 638 Y CB 1.887 40.302 38.460 -0.075 0.000 1.338 638 Y HN 0.774 nan 8.280 nan 0.000 0.453 639 D N 4.093 124.441 120.400 -0.087 0.000 2.329 639 D HA 0.541 5.189 4.640 0.012 0.000 0.232 639 D C -0.800 175.595 176.300 0.158 0.000 1.088 639 D CA 0.012 54.075 54.000 0.105 0.000 0.835 639 D CB 1.786 42.671 40.800 0.143 0.000 1.078 639 D HN 0.219 nan 8.370 nan 0.000 0.495 640 V N 0.579 120.697 119.914 0.341 0.000 2.864 640 V HA 0.429 4.556 4.120 0.012 0.000 0.314 640 V C 0.386 176.661 176.094 0.302 0.000 1.073 640 V CA -1.003 61.507 62.300 0.350 0.000 0.956 640 V CB 2.137 34.207 31.823 0.412 0.000 1.023 640 V HN 0.431 nan 8.190 nan 0.000 0.435 641 S N 1.940 117.776 115.700 0.227 0.000 2.399 641 S HA 0.581 5.058 4.470 0.012 0.000 0.301 641 S C -0.422 174.283 174.600 0.176 0.000 1.093 641 S CA -0.456 57.845 58.200 0.168 0.000 1.077 641 S CB -0.090 63.170 63.200 0.100 0.000 0.980 641 S HN 0.595 nan 8.310 nan 0.000 0.494 642 V N 4.981 125.014 119.914 0.200 0.000 2.994 642 V HA 0.640 4.768 4.120 0.012 0.000 0.318 642 V C -2.578 173.586 176.094 0.116 0.000 1.085 642 V CA -2.877 59.539 62.300 0.194 0.000 0.998 642 V CB 1.102 33.112 31.823 0.312 0.000 1.063 642 V HN 0.524 nan 8.190 nan 0.000 0.447 643 P HA 0.304 nan 4.420 nan 0.000 0.276 643 P C -0.343 176.977 177.300 0.033 0.000 1.253 643 P CA 0.149 63.276 63.100 0.046 0.000 0.766 643 P CB 0.452 32.171 31.700 0.031 0.000 0.845 644 A N 3.814 126.653 122.820 0.031 0.000 2.511 644 A HA 0.424 4.751 4.320 0.012 0.000 0.242 644 A C 1.646 179.235 177.584 0.008 0.000 1.069 644 A CA 0.726 52.780 52.037 0.027 0.000 0.763 644 A CB -1.196 17.820 19.000 0.028 0.000 1.001 644 A HN 0.841 nan 8.150 nan 0.000 0.498 645 G N 1.042 109.843 108.800 0.002 0.000 2.189 645 G HA2 -0.256 3.711 3.960 0.012 0.000 0.267 645 G HA3 -0.256 3.711 3.960 0.012 0.000 0.267 645 G C 0.455 175.333 174.900 -0.036 0.000 0.975 645 G CA 0.923 46.016 45.100 -0.011 0.000 0.644 645 G HN 0.764 nan 8.290 nan 0.000 0.537 646 K N 0.842 121.211 120.400 -0.052 0.000 2.202 646 K HA 0.543 4.871 4.320 0.012 0.000 0.264 646 K C 0.359 176.877 176.600 -0.137 0.000 1.010 646 K CA -0.130 56.116 56.287 -0.068 0.000 0.940 646 K CB 0.773 33.247 32.500 -0.045 0.000 0.983 646 K HN 0.056 nan 8.250 nan 0.000 0.475 647 T N 3.723 118.216 114.554 -0.102 0.000 2.832 647 T HA 0.412 4.770 4.350 0.012 0.000 0.313 647 T C 0.140 174.786 174.700 -0.090 0.000 1.035 647 T CA -0.441 61.589 62.100 -0.117 0.000 0.950 647 T CB -0.133 68.703 68.868 -0.053 0.000 0.984 647 T HN 0.211 nan 8.240 nan 0.000 0.486 648 I N 2.700 123.180 120.570 -0.149 0.000 2.676 648 I HA 0.409 4.586 4.170 0.012 0.000 0.309 648 I C 0.534 176.764 176.117 0.189 0.000 0.990 648 I CA -0.581 60.733 61.300 0.024 0.000 1.168 648 I CB 1.436 39.474 38.000 0.063 0.000 1.343 648 I HN 0.449 nan 8.210 nan 0.000 0.482 649 E N 3.628 123.954 120.200 0.211 0.000 2.220 649 E HA 0.435 4.792 4.350 0.012 0.000 0.256 649 E C -1.356 175.355 176.600 0.185 0.000 0.881 649 E CA -0.448 56.025 56.400 0.121 0.000 0.766 649 E CB 1.326 31.029 29.700 0.005 0.000 1.187 649 E HN 0.371 nan 8.360 nan 0.000 0.419 650 F N 1.638 121.667 119.950 0.132 0.000 2.611 650 F HA 0.840 5.374 4.527 0.012 0.000 0.374 650 F C -0.058 175.735 175.800 -0.013 0.000 1.110 650 F CA -1.084 56.924 58.000 0.013 0.000 1.090 650 F CB 0.840 39.802 39.000 -0.063 0.000 1.388 650 F HN 0.171 nan 8.300 nan 0.000 0.501 651 K N -1.176 119.214 120.400 -0.017 0.000 2.670 651 K HA 0.673 5.000 4.320 0.012 0.000 0.289 651 K C -2.274 174.118 176.600 -0.346 0.000 1.045 651 K CA -0.567 55.702 56.287 -0.028 0.000 0.834 651 K CB 1.435 34.039 32.500 0.172 0.000 1.531 651 K HN 0.598 nan 8.250 nan 0.000 0.376 652 F N 0.718 120.826 119.950 0.264 0.000 2.650 652 F HA 0.712 5.246 4.527 0.013 0.000 0.320 652 F C -0.782 175.152 175.800 0.222 0.000 1.091 652 F CA -0.798 57.360 58.000 0.263 0.000 0.962 652 F CB 1.833 41.114 39.000 0.468 0.000 1.363 652 F HN 0.454 nan 8.300 nan 0.000 0.482 653 L N -0.886 120.599 121.223 0.437 0.000 2.838 653 L HA 0.732 5.079 4.340 0.012 0.000 0.266 653 L C -2.120 174.852 176.870 0.169 0.000 1.040 653 L CA -1.115 53.837 54.840 0.187 0.000 0.906 653 L CB 2.682 44.481 42.059 -0.434 0.000 1.501 653 L HN 0.533 nan 8.230 nan 0.000 0.407 654 K N 1.390 121.826 120.400 0.060 0.000 2.579 654 K HA 0.471 4.798 4.320 0.012 0.000 0.250 654 K C -1.447 175.150 176.600 -0.006 0.000 0.952 654 K CA -0.711 55.573 56.287 -0.005 0.000 0.857 654 K CB 2.210 34.644 32.500 -0.109 0.000 1.123 654 K HN 0.455 nan 8.250 nan 0.000 0.433 655 K N 2.250 122.686 120.400 0.061 0.000 2.285 655 K HA 0.074 4.401 4.320 0.012 0.000 0.286 655 K C 0.689 177.307 176.600 0.030 0.000 1.072 655 K CA -0.081 56.188 56.287 -0.029 0.000 0.913 655 K CB 1.326 33.719 32.500 -0.179 0.000 1.067 655 K HN 0.487 nan 8.250 nan 0.000 0.479 656 Q N 1.483 121.281 119.800 -0.003 0.000 2.200 656 Q HA 0.076 4.423 4.340 0.012 0.000 0.197 656 Q C 0.816 176.822 176.000 0.010 0.000 0.953 656 Q CA 1.162 56.973 55.803 0.012 0.000 0.851 656 Q CB 0.496 29.238 28.738 0.008 0.000 0.938 656 Q HN 0.842 nan 8.270 nan 0.000 0.488 657 G N -1.214 107.580 108.800 -0.011 0.000 3.324 657 G HA2 0.091 4.059 3.960 0.012 0.000 0.188 657 G HA3 0.091 4.059 3.960 0.012 0.000 0.188 657 G C 0.274 175.149 174.900 -0.042 0.000 1.384 657 G CA 0.295 45.386 45.100 -0.014 0.000 0.841 657 G HN 0.214 nan 8.290 nan 0.000 0.758 658 S N 0.171 115.845 115.700 -0.044 0.000 2.556 658 S HA 0.205 4.683 4.470 0.012 0.000 0.216 658 S C 0.496 175.055 174.600 -0.070 0.000 0.970 658 S CA 0.091 58.252 58.200 -0.064 0.000 0.912 658 S CB 0.428 63.601 63.200 -0.046 0.000 0.790 658 S HN 0.247 nan 8.310 nan 0.000 0.504 659 T N 3.773 118.295 114.554 -0.053 0.000 2.863 659 T HA 0.367 4.724 4.350 0.012 0.000 0.299 659 T C 0.064 174.722 174.700 -0.071 0.000 0.973 659 T CA -0.183 61.891 62.100 -0.044 0.000 0.994 659 T CB 0.416 69.273 68.868 -0.017 0.000 0.961 659 T HN 0.325 nan 8.240 nan 0.000 0.552 660 V N 3.759 123.606 119.914 -0.112 0.000 2.686 660 V HA 0.643 4.770 4.120 0.012 0.000 0.295 660 V C -0.037 175.982 176.094 -0.125 0.000 1.057 660 V CA -0.167 62.021 62.300 -0.186 0.000 1.012 660 V CB 1.554 33.169 31.823 -0.346 0.000 1.006 660 V HN 0.706 nan 8.190 nan 0.000 0.477 661 T N 6.725 121.220 114.554 -0.099 0.000 2.912 661 T HA 0.358 4.715 4.350 0.012 0.000 0.326 661 T C -0.510 174.247 174.700 0.095 0.000 1.080 661 T CA -0.043 62.081 62.100 0.040 0.000 1.000 661 T CB 0.212 69.139 68.868 0.098 0.000 1.008 661 T HN 0.807 nan 8.240 nan 0.000 0.473 662 W N 2.059 123.426 121.300 0.113 0.000 2.042 662 W HA 0.152 4.818 4.660 0.011 0.000 0.358 662 W C 1.067 177.639 176.519 0.088 0.000 1.325 662 W CA -0.333 57.064 57.345 0.087 0.000 1.311 662 W CB 0.434 29.901 29.460 0.012 0.000 1.210 662 W HN 0.518 nan 8.180 nan 0.000 0.620 663 E N 1.380 121.779 120.200 0.332 0.000 2.174 663 E HA 0.342 4.700 4.350 0.012 0.000 0.282 663 E C 0.559 177.063 176.600 -0.161 0.000 0.992 663 E CA -0.464 55.780 56.400 -0.260 0.000 0.803 663 E CB 0.636 29.920 29.700 -0.694 0.000 1.090 663 E HN 0.530 nan 8.360 nan 0.000 0.396 664 G N 2.746 111.434 108.800 -0.187 0.000 2.744 664 G HA2 0.350 4.317 3.960 0.012 0.000 0.257 664 G HA3 0.350 4.317 3.960 0.012 0.000 0.257 664 G C 0.624 175.407 174.900 -0.195 0.000 1.244 664 G CA 0.121 45.143 45.100 -0.130 0.000 0.916 664 G HN 0.986 nan 8.290 nan 0.000 0.564 665 G N -0.892 107.814 108.800 -0.155 0.000 2.562 665 G HA2 0.118 4.086 3.960 0.012 0.000 0.250 665 G HA3 0.118 4.086 3.960 0.012 0.000 0.250 665 G C 0.400 175.177 174.900 -0.204 0.000 1.269 665 G CA 0.774 45.771 45.100 -0.172 0.000 0.919 665 G HN 2.005 nan 8.290 nan 0.000 0.574 666 S N -0.001 115.565 115.700 -0.223 0.000 2.747 666 S HA 0.671 5.148 4.470 0.012 0.000 0.300 666 S C -0.015 174.406 174.600 -0.297 0.000 1.121 666 S CA -0.667 57.397 58.200 -0.228 0.000 0.995 666 S CB 1.431 64.526 63.200 -0.175 0.000 1.113 666 S HN 0.869 nan 8.310 nan 0.000 0.547 667 N N 1.812 120.356 118.700 -0.260 0.000 2.458 667 N HA 0.150 4.897 4.740 0.012 0.000 0.258 667 N C -0.056 175.253 175.510 -0.334 0.000 1.219 667 N CA 0.253 53.133 53.050 -0.282 0.000 0.902 667 N CB -0.139 38.228 38.487 -0.200 0.000 1.076 667 N HN 0.540 nan 8.380 nan 0.000 0.455 668 H N 0.541 119.355 119.070 -0.425 0.000 2.660 668 H HA 0.311 4.874 4.556 0.012 0.000 0.374 668 H C 0.030 175.000 175.328 -0.597 0.000 1.291 668 H CA 0.447 56.176 56.048 -0.531 0.000 1.437 668 H CB 0.780 30.053 29.762 -0.814 0.000 1.509 668 H HN 0.375 nan 8.280 nan 0.000 0.614 669 T N 2.261 116.738 114.554 -0.128 0.000 2.993 669 T HA 0.408 4.766 4.350 0.012 0.000 0.312 669 T C -0.954 174.013 174.700 0.445 0.000 1.115 669 T CA -0.765 61.396 62.100 0.101 0.000 1.027 669 T CB 1.074 69.978 68.868 0.058 0.000 1.116 669 T HN 0.490 nan 8.240 nan 0.000 0.464 670 F N -0.375 119.815 119.950 0.400 0.000 2.645 670 F HA 0.796 5.331 4.527 0.013 0.000 0.310 670 F C -1.225 174.701 175.800 0.211 0.000 1.102 670 F CA -0.802 57.393 58.000 0.324 0.000 0.952 670 F CB 1.494 40.709 39.000 0.359 0.000 1.326 670 F HN 0.381 nan 8.300 nan 0.000 0.456 671 T N 3.452 117.963 114.554 -0.071 0.000 2.893 671 T HA 0.686 5.043 4.350 0.012 0.000 0.324 671 T C 0.075 174.667 174.700 -0.180 0.000 1.082 671 T CA -0.227 61.744 62.100 -0.215 0.000 0.983 671 T CB 0.480 69.327 68.868 -0.034 0.000 1.005 671 T HN 0.970 nan 8.240 nan 0.000 0.475 672 A N 5.812 128.367 122.820 -0.442 0.000 2.583 672 A HA 0.390 4.718 4.320 0.012 0.000 0.231 672 A C -2.087 175.521 177.584 0.039 0.000 1.065 672 A CA -0.598 51.401 52.037 -0.063 0.000 0.760 672 A CB -0.310 18.645 19.000 -0.075 0.000 1.001 672 A HN 0.441 nan 8.150 nan 0.000 0.509 673 P HA 0.273 nan 4.420 nan 0.000 0.276 673 P C 0.519 177.851 177.300 0.053 0.000 1.261 673 P CA -0.318 62.829 63.100 0.078 0.000 0.800 673 P CB 0.775 32.529 31.700 0.091 0.000 1.066 674 S N -1.261 114.465 115.700 0.044 0.000 2.470 674 S HA 0.068 4.546 4.470 0.012 0.000 0.225 674 S C 0.772 175.394 174.600 0.036 0.000 1.006 674 S CA 0.648 58.867 58.200 0.033 0.000 0.934 674 S CB -0.293 62.923 63.200 0.027 0.000 0.778 674 S HN 0.715 nan 8.310 nan 0.000 0.517 675 S N -1.310 114.419 115.700 0.048 0.000 2.703 675 S HA 0.684 5.162 4.470 0.012 0.000 0.273 675 S C 0.125 174.768 174.600 0.073 0.000 1.178 675 S CA -0.573 57.659 58.200 0.053 0.000 0.838 675 S CB 0.601 63.827 63.200 0.042 0.000 1.178 675 S HN 0.866 nan 8.310 nan 0.000 0.494 676 G N 0.735 109.588 108.800 0.088 0.000 2.682 676 G HA2 0.102 4.069 3.960 0.012 0.000 0.256 676 G HA3 0.102 4.069 3.960 0.012 0.000 0.256 676 G C 0.030 175.005 174.900 0.124 0.000 1.333 676 G CA 0.273 45.439 45.100 0.109 0.000 0.904 676 G HN 2.117 nan 8.290 nan 0.000 0.569 677 T N -2.253 112.375 114.554 0.122 0.000 2.936 677 T HA 0.962 5.320 4.350 0.012 0.000 0.282 677 T C 0.187 174.930 174.700 0.071 0.000 1.003 677 T CA 0.611 62.782 62.100 0.119 0.000 1.005 677 T CB 1.980 70.930 68.868 0.136 0.000 1.097 677 T HN 2.520 nan 8.240 nan 0.000 0.532 678 A N 0.410 123.251 122.820 0.035 0.000 2.594 678 A HA 0.730 5.057 4.320 0.012 0.000 0.295 678 A C -0.607 176.904 177.584 -0.121 0.000 1.071 678 A CA -0.942 51.084 52.037 -0.018 0.000 0.685 678 A CB 1.570 20.584 19.000 0.024 0.000 1.285 678 A HN 0.882 nan 8.150 nan 0.000 0.405 679 T N 2.723 117.193 114.554 -0.140 0.000 2.890 679 T HA 0.550 4.907 4.350 0.012 0.000 0.295 679 T C -0.372 174.184 174.700 -0.240 0.000 0.993 679 T CA -0.189 61.796 62.100 -0.192 0.000 0.979 679 T CB 0.549 69.374 68.868 -0.072 0.000 0.967 679 T HN 0.660 nan 8.240 nan 0.000 0.441 680 I N 1.679 122.006 120.570 -0.405 0.000 2.339 680 I HA 0.525 4.703 4.170 0.012 0.000 0.290 680 I C -0.363 175.668 176.117 -0.143 0.000 0.994 680 I CA -0.676 60.427 61.300 -0.328 0.000 1.191 680 I CB 1.102 38.724 38.000 -0.629 0.000 1.343 680 I HN 0.425 nan 8.210 nan 0.000 0.458 681 N N 6.491 125.167 118.700 -0.039 0.000 2.558 681 N HA 0.437 5.185 4.740 0.012 0.000 0.242 681 N C -0.326 175.211 175.510 0.045 0.000 0.979 681 N CA -0.096 52.959 53.050 0.007 0.000 0.931 681 N CB 2.258 40.762 38.487 0.028 0.000 1.122 681 N HN 0.653 nan 8.380 nan 0.000 0.508 682 V N 0.775 120.716 119.914 0.046 0.000 3.352 682 V HA 0.673 4.800 4.120 0.012 0.000 0.299 682 V C -0.136 175.977 176.094 0.032 0.000 1.228 682 V CA -0.921 61.388 62.300 0.015 0.000 1.017 682 V CB 1.619 33.325 31.823 -0.194 0.000 1.237 682 V HN 0.332 nan 8.190 nan 0.000 0.472 683 N N -0.183 118.568 118.700 0.084 0.000 2.225 683 N HA 0.273 5.020 4.740 0.012 0.000 0.298 683 N C -1.257 174.408 175.510 0.257 0.000 1.076 683 N CA -0.394 52.749 53.050 0.156 0.000 0.792 683 N CB 2.108 40.689 38.487 0.156 0.000 1.498 683 N HN 1.010 nan 8.380 nan 0.000 0.474 684 W N 2.385 123.712 121.300 0.046 0.000 2.322 684 W HA 0.042 4.710 4.660 0.013 0.000 0.328 684 W C -0.734 175.860 176.519 0.124 0.000 1.395 684 W CA 0.355 57.742 57.345 0.071 0.000 1.267 684 W CB 0.404 29.854 29.460 -0.015 0.000 1.259 684 W HN 0.404 nan 8.180 nan 0.000 0.560 685 Q N 7.905 127.468 119.800 -0.395 0.000 2.465 685 Q HA 0.200 4.547 4.340 0.012 0.000 0.237 685 Q C -1.791 173.988 176.000 -0.367 0.000 1.051 685 Q CA -1.791 53.847 55.803 -0.275 0.000 0.874 685 Q CB 1.099 29.683 28.738 -0.257 0.000 1.207 685 Q HN 0.189 nan 8.270 nan 0.000 0.508 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.166 63.100 0.111 0.000 0.800 686 P CB 0.000 31.807 31.700 0.178 0.000 0.726