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 1kcl_1_A 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 TQNLFHHNLG 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 SELGNWDPAK 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 0.000 177.565 177.584 -0.032 0.000 1.274 1 A CA 0.000 52.020 52.037 -0.029 0.000 0.836 1 A CB 0.000 18.973 19.000 -0.046 0.000 0.831 2 P HA 0.203 nan 4.420 nan 0.000 0.274 2 P C -0.068 177.200 177.300 -0.054 0.000 1.246 2 P CA 0.198 63.274 63.100 -0.039 0.000 0.795 2 P CB 0.682 32.356 31.700 -0.043 0.000 1.006 3 D N 0.056 120.430 120.400 -0.043 0.000 2.221 3 D HA -0.147 4.493 4.640 -0.000 0.000 0.204 3 D C 1.155 177.402 176.300 -0.089 0.000 0.982 3 D CA 1.829 55.802 54.000 -0.045 0.000 0.857 3 D CB -1.347 39.461 40.800 0.013 0.000 0.934 3 D HN 0.446 nan 8.370 nan 0.000 0.475 4 T N -2.659 111.835 114.554 -0.100 0.000 3.148 4 T HA 0.055 4.405 4.350 -0.000 0.000 0.253 4 T C 1.031 175.639 174.700 -0.154 0.000 1.134 4 T CA -0.120 61.895 62.100 -0.142 0.000 1.051 4 T CB -0.198 68.592 68.868 -0.129 0.000 0.959 4 T HN 0.120 nan 8.240 nan 0.000 0.525 5 S N 0.464 116.083 115.700 -0.135 0.000 2.568 5 S HA 0.143 4.613 4.470 -0.000 0.000 0.282 5 S C 1.409 175.896 174.600 -0.187 0.000 1.338 5 S CA -0.363 57.754 58.200 -0.139 0.000 1.045 5 S CB 1.128 64.260 63.200 -0.113 0.000 0.873 5 S HN 0.238 nan 8.310 nan 0.000 0.516 6 V N 4.329 124.131 119.914 -0.188 0.000 2.913 6 V HA -0.045 4.075 4.120 -0.000 0.000 0.260 6 V C 2.078 178.003 176.094 -0.282 0.000 1.098 6 V CA 2.310 64.467 62.300 -0.238 0.000 1.121 6 V CB -0.761 30.942 31.823 -0.201 0.000 0.714 6 V HN 1.011 nan 8.190 nan 0.000 0.487 7 S N -0.188 115.377 115.700 -0.226 0.000 2.562 7 S HA 0.020 4.490 4.470 -0.000 0.000 0.221 7 S C 1.134 175.642 174.600 -0.153 0.000 0.975 7 S CA 0.318 58.397 58.200 -0.201 0.000 0.918 7 S CB -0.636 62.478 63.200 -0.143 0.000 0.772 7 S HN 0.603 nan 8.310 nan 0.000 0.531 8 N N 2.490 121.087 118.700 -0.172 0.000 2.549 8 N HA 0.173 4.912 4.740 -0.000 0.000 0.267 8 N C 0.365 175.797 175.510 -0.129 0.000 1.182 8 N CA 0.026 52.993 53.050 -0.139 0.000 1.019 8 N CB 0.273 38.661 38.487 -0.166 0.000 1.380 8 N HN 0.442 nan 8.380 nan 0.000 0.505 9 K N 1.519 121.913 120.400 -0.010 0.000 2.432 9 K HA -0.037 4.283 4.320 -0.000 0.000 0.196 9 K C 0.704 177.486 176.600 0.303 0.000 1.038 9 K CA 0.732 57.114 56.287 0.157 0.000 0.986 9 K CB 0.430 33.022 32.500 0.154 0.000 0.782 9 K HN 0.397 nan 8.250 nan 0.000 0.485 10 Q N 0.095 120.009 119.800 0.190 0.000 2.392 10 Q HA 0.083 4.423 4.340 -0.000 0.000 0.203 10 Q C -0.261 175.893 176.000 0.255 0.000 0.917 10 Q CA 0.270 56.235 55.803 0.269 0.000 0.939 10 Q CB 0.457 29.315 28.738 0.200 0.000 1.063 10 Q HN 0.050 nan 8.270 nan 0.000 0.516 11 N N -0.582 118.131 118.700 0.022 0.000 2.480 11 N HA 0.185 4.924 4.740 -0.000 0.000 0.289 11 N C -1.357 173.925 175.510 -0.380 0.000 1.073 11 N CA -0.292 52.557 53.050 -0.336 0.000 0.885 11 N CB 0.531 38.779 38.487 -0.400 0.000 1.421 11 N HN -0.111 nan 8.380 nan 0.000 0.503 12 F N 1.022 120.490 119.950 -0.803 0.000 2.661 12 F HA 0.290 4.817 4.527 -0.000 0.000 0.306 12 F C 1.881 177.356 175.800 -0.542 0.000 1.094 12 F CA -0.110 57.488 58.000 -0.670 0.000 1.254 12 F CB 0.449 38.912 39.000 -0.893 0.000 1.040 12 F HN 0.412 nan 8.300 nan 0.000 0.562 13 S N -0.614 114.853 115.700 -0.387 0.000 2.447 13 S HA -0.146 4.324 4.470 -0.000 0.000 0.233 13 S C 2.129 176.505 174.600 -0.374 0.000 1.006 13 S CA 1.740 59.745 58.200 -0.326 0.000 0.957 13 S CB -0.474 62.580 63.200 -0.242 0.000 0.773 13 S HN 0.523 nan 8.310 nan 0.000 0.507 14 T N -0.748 113.574 114.554 -0.386 0.000 3.107 14 T HA 0.164 4.514 4.350 -0.000 0.000 0.249 14 T C 0.096 174.627 174.700 -0.281 0.000 1.096 14 T CA -0.270 61.608 62.100 -0.370 0.000 1.012 14 T CB 0.047 68.706 68.868 -0.349 0.000 0.977 14 T HN 0.055 nan 8.240 nan 0.000 0.527 15 D N 0.690 120.934 120.400 -0.260 0.000 2.442 15 D HA 0.553 5.193 4.640 -0.000 0.000 0.254 15 D C -0.907 175.323 176.300 -0.118 0.000 1.069 15 D CA -0.507 53.377 54.000 -0.193 0.000 1.017 15 D CB 2.497 43.164 40.800 -0.221 0.000 1.172 15 D HN 0.012 nan 8.370 nan 0.000 0.561 16 V N 1.740 121.617 119.914 -0.061 0.000 2.447 16 V HA 0.303 4.423 4.120 -0.000 0.000 0.292 16 V C 0.112 176.252 176.094 0.076 0.000 1.021 16 V CA -0.641 61.650 62.300 -0.015 0.000 0.850 16 V CB 1.489 33.286 31.823 -0.042 0.000 1.005 16 V HN 0.356 nan 8.190 nan 0.000 0.426 17 I N 4.446 125.098 120.570 0.136 0.000 2.519 17 I HA 0.318 4.488 4.170 -0.000 0.000 0.287 17 I C -0.757 175.534 176.117 0.290 0.000 1.047 17 I CA -0.409 61.041 61.300 0.250 0.000 1.381 17 I CB 0.854 39.034 38.000 0.299 0.000 1.417 17 I HN 0.617 nan 8.210 nan 0.000 0.540 18 Y N 5.830 126.233 120.300 0.171 0.000 2.388 18 Y HA 0.231 4.781 4.550 -0.000 0.000 0.328 18 Y C 0.041 176.020 175.900 0.132 0.000 0.963 18 Y CA -0.616 57.559 58.100 0.124 0.000 1.240 18 Y CB 0.961 39.455 38.460 0.056 0.000 1.118 18 Y HN 0.505 nan 8.280 nan 0.000 0.484 19 Q N 6.984 126.714 119.800 -0.117 0.000 2.307 19 Q HA 0.350 4.690 4.340 -0.000 0.000 0.261 19 Q C -1.219 174.604 176.000 -0.295 0.000 1.051 19 Q CA -0.049 55.610 55.803 -0.241 0.000 0.911 19 Q CB 0.430 28.927 28.738 -0.401 0.000 1.227 19 Q HN 0.756 nan 8.270 nan 0.000 0.418 20 I N 4.250 124.643 120.570 -0.294 0.000 2.354 20 I HA 0.203 4.373 4.170 -0.000 0.000 0.292 20 I C -0.674 175.243 176.117 -0.333 0.000 0.989 20 I CA -0.767 60.317 61.300 -0.361 0.000 1.188 20 I CB 0.950 38.714 38.000 -0.393 0.000 1.342 20 I HN 0.595 nan 8.210 nan 0.000 0.457 21 F N 5.515 125.065 119.950 -0.666 0.000 2.406 21 F HA 0.160 4.687 4.527 -0.000 0.000 0.358 21 F C 1.722 177.306 175.800 -0.360 0.000 1.161 21 F CA -0.052 57.687 58.000 -0.435 0.000 1.185 21 F CB 0.475 39.276 39.000 -0.331 0.000 1.421 21 F HN 0.544 nan 8.300 nan 0.000 0.576 22 T N 1.295 115.661 114.554 -0.313 0.000 2.635 22 T HA -0.373 3.977 4.350 -0.000 0.000 0.265 22 T C 1.714 176.393 174.700 -0.034 0.000 1.058 22 T CA 2.325 64.277 62.100 -0.248 0.000 1.162 22 T CB -0.283 68.170 68.868 -0.693 0.000 0.859 22 T HN 0.600 nan 8.240 nan 0.000 0.449 23 D N 0.176 120.614 120.400 0.062 0.000 2.218 23 D HA -0.084 4.556 4.640 -0.000 0.000 0.204 23 D C 1.943 178.370 176.300 0.213 0.000 0.976 23 D CA 0.708 54.860 54.000 0.253 0.000 0.853 23 D CB 0.135 41.167 40.800 0.388 0.000 0.939 23 D HN 0.101 nan 8.370 nan 0.000 0.481 24 R N -0.650 119.952 120.500 0.171 0.000 2.393 24 R HA 0.119 4.459 4.340 -0.000 0.000 0.244 24 R C 0.761 177.148 176.300 0.144 0.000 0.920 24 R CA -0.145 56.037 56.100 0.137 0.000 1.076 24 R CB -0.381 30.017 30.300 0.164 0.000 1.119 24 R HN 0.280 nan 8.270 nan 0.000 0.524 25 F N 0.313 120.245 119.950 -0.030 0.000 2.293 25 F HA 0.284 4.811 4.527 -0.000 0.000 0.272 25 F C 0.336 176.270 175.800 0.223 0.000 1.053 25 F CA 0.190 58.240 58.000 0.082 0.000 1.152 25 F CB 0.244 39.284 39.000 0.067 0.000 1.119 25 F HN -0.195 nan 8.300 nan 0.000 0.564 26 S N -0.097 115.722 115.700 0.198 0.000 2.649 26 S HA 0.235 4.705 4.470 -0.000 0.000 0.274 26 S C -1.854 172.825 174.600 0.132 0.000 1.176 26 S CA -0.782 57.474 58.200 0.093 0.000 0.988 26 S CB 0.776 63.942 63.200 -0.058 0.000 1.071 26 S HN 0.250 nan 8.310 nan 0.000 0.478 27 D N 3.605 124.074 120.400 0.117 0.000 2.453 27 D HA 0.412 5.052 4.640 -0.000 0.000 0.223 27 D C 1.204 177.554 176.300 0.085 0.000 1.183 27 D CA 0.058 54.128 54.000 0.118 0.000 0.933 27 D CB 0.463 41.346 40.800 0.138 0.000 1.038 27 D HN 0.664 nan 8.370 nan 0.000 0.513 28 G N 3.204 112.054 108.800 0.084 0.000 2.777 28 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.211 28 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.211 28 G C 0.603 175.535 174.900 0.054 0.000 1.149 28 G CA -0.270 44.868 45.100 0.063 0.000 0.785 28 G HN 0.482 nan 8.290 nan 0.000 0.536 29 N N -0.405 118.327 118.700 0.053 0.000 2.640 29 N HA 0.336 5.075 4.740 -0.000 0.000 0.262 29 N C -2.334 173.181 175.510 0.008 0.000 1.174 29 N CA -1.772 51.297 53.050 0.031 0.000 0.791 29 N CB 2.054 40.563 38.487 0.037 0.000 1.279 29 N HN -0.248 nan 8.380 nan 0.000 0.535 30 P HA -0.024 nan 4.420 nan 0.000 0.222 30 P C 0.896 178.144 177.300 -0.087 0.000 1.147 30 P CA 0.860 63.942 63.100 -0.030 0.000 0.790 30 P CB 0.328 32.024 31.700 -0.007 0.000 0.780 31 A N 0.964 123.747 122.820 -0.062 0.000 1.972 31 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 31 A C 1.752 179.272 177.584 -0.107 0.000 1.169 31 A CA 1.905 53.896 52.037 -0.077 0.000 0.635 31 A CB -1.362 17.611 19.000 -0.045 0.000 0.810 31 A HN 0.327 nan 8.150 nan 0.000 0.446 32 N N -0.229 118.409 118.700 -0.103 0.000 2.322 32 N HA 0.011 4.751 4.740 -0.000 0.000 0.194 32 N C -0.511 174.878 175.510 -0.202 0.000 1.126 32 N CA -0.294 52.678 53.050 -0.130 0.000 0.845 32 N CB -0.506 37.924 38.487 -0.094 0.000 0.976 32 N HN 0.192 nan 8.380 nan 0.000 0.475 33 N N 2.192 120.742 118.700 -0.251 0.000 2.458 33 N HA 0.162 4.902 4.740 -0.000 0.000 0.258 33 N C -2.213 172.998 175.510 -0.498 0.000 1.219 33 N CA -0.796 52.009 53.050 -0.409 0.000 0.902 33 N CB 0.281 38.359 38.487 -0.680 0.000 1.076 33 N HN 0.210 nan 8.380 nan 0.000 0.455 34 P HA 0.097 nan 4.420 nan 0.000 0.271 34 P C -0.029 177.080 177.300 -0.318 0.000 1.244 34 P CA -0.028 62.872 63.100 -0.332 0.000 0.793 34 P CB 0.521 32.039 31.700 -0.303 0.000 0.984 35 T N -3.009 111.465 114.554 -0.133 0.000 2.907 35 T HA 0.690 5.040 4.350 -0.000 0.000 0.290 35 T C 0.474 175.212 174.700 0.064 0.000 1.066 35 T CA -0.078 61.984 62.100 -0.064 0.000 1.012 35 T CB 1.360 70.170 68.868 -0.097 0.000 1.184 35 T HN 0.739 nan 8.240 nan 0.000 0.522 36 G N 0.967 109.821 108.800 0.089 0.000 2.527 36 G HA2 0.009 3.969 3.960 -0.000 0.000 0.268 36 G HA3 0.009 3.969 3.960 -0.000 0.000 0.268 36 G C 1.065 176.042 174.900 0.128 0.000 1.175 36 G CA 0.520 45.675 45.100 0.092 0.000 0.962 36 G HN 1.862 nan 8.290 nan 0.000 0.560 37 A N -0.056 122.824 122.820 0.100 0.000 2.239 37 A HA 0.562 4.882 4.320 -0.000 0.000 0.209 37 A C 2.376 180.040 177.584 0.134 0.000 1.171 37 A CA 2.070 54.167 52.037 0.099 0.000 0.768 37 A CB -0.511 18.533 19.000 0.073 0.000 0.790 37 A HN 2.218 nan 8.150 nan 0.000 0.478 38 A N -1.749 121.179 122.820 0.181 0.000 2.308 38 A HA 0.556 4.876 4.320 -0.000 0.000 0.217 38 A C 0.071 177.875 177.584 0.367 0.000 1.216 38 A CA -0.091 52.100 52.037 0.256 0.000 0.864 38 A CB -0.151 19.003 19.000 0.257 0.000 0.902 38 A HN 0.473 nan 8.150 nan 0.000 0.499 39 F N -0.574 119.442 119.950 0.110 0.000 2.588 39 F HA 0.607 5.134 4.527 -0.000 0.000 0.310 39 F C -1.811 174.026 175.800 0.062 0.000 1.082 39 F CA -1.388 56.673 58.000 0.102 0.000 0.929 39 F CB 2.017 41.054 39.000 0.060 0.000 1.254 39 F HN -0.028 nan 8.300 nan 0.000 0.455 40 D N 2.874 122.701 120.400 -0.955 0.000 2.337 40 D HA 0.261 4.901 4.640 -0.000 0.000 0.238 40 D C 0.860 176.581 176.300 -0.966 0.000 1.331 40 D CA 0.141 53.712 54.000 -0.715 0.000 0.967 40 D CB 0.933 41.541 40.800 -0.320 0.000 1.382 40 D HN 0.716 nan 8.370 nan 0.000 0.549 41 G N 1.631 109.784 108.800 -1.078 0.000 2.485 41 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.221 41 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.221 41 G C 1.358 176.135 174.900 -0.205 0.000 1.115 41 G CA 1.626 46.442 45.100 -0.474 0.000 0.751 41 G HN 0.552 nan 8.290 nan 0.000 0.567 42 T N -3.839 110.602 114.554 -0.188 0.000 3.055 42 T HA 0.002 4.352 4.350 -0.000 0.000 0.265 42 T C 1.384 176.017 174.700 -0.112 0.000 1.111 42 T CA 0.720 62.756 62.100 -0.106 0.000 1.118 42 T CB -0.569 68.251 68.868 -0.080 0.000 0.909 42 T HN 0.663 nan 8.240 nan 0.000 0.501 43 c N 1.712 120.211 118.600 -0.168 0.000 4.350 43 c HA -0.202 4.368 4.570 -0.000 0.000 0.302 43 c C 1.610 175.638 174.090 -0.104 0.000 1.390 43 c CA 0.922 57.167 56.329 -0.140 0.000 2.016 43 c CB -2.685 39.773 42.510 -0.088 0.000 1.271 43 c HN 0.794 nan 8.230 nan 0.000 0.760 44 T N -0.500 113.992 114.554 -0.103 0.000 2.976 44 T HA -0.022 4.328 4.350 -0.000 0.000 0.257 44 T C 0.821 175.478 174.700 -0.072 0.000 1.051 44 T CA 1.115 63.172 62.100 -0.071 0.000 1.141 44 T CB -0.174 68.659 68.868 -0.058 0.000 0.881 44 T HN 0.701 nan 8.240 nan 0.000 0.461 45 N N 2.214 120.859 118.700 -0.092 0.000 2.521 45 N HA 0.153 4.893 4.740 -0.000 0.000 0.236 45 N C 0.433 175.863 175.510 -0.133 0.000 1.067 45 N CA -0.129 52.870 53.050 -0.084 0.000 0.939 45 N CB 0.319 38.764 38.487 -0.071 0.000 1.201 45 N HN 0.301 nan 8.380 nan 0.000 0.511 46 L N 2.783 123.932 121.223 -0.124 0.000 2.675 46 L HA 0.049 4.389 4.340 -0.000 0.000 0.238 46 L C 1.650 178.323 176.870 -0.328 0.000 1.155 46 L CA 0.421 55.142 54.840 -0.199 0.000 0.881 46 L CB -0.052 41.946 42.059 -0.102 0.000 1.008 46 L HN 0.339 nan 8.230 nan 0.000 0.443 47 R N -1.098 119.271 120.500 -0.219 0.000 2.365 47 R HA 0.225 4.565 4.340 -0.000 0.000 0.223 47 R C -0.178 176.028 176.300 -0.157 0.000 0.899 47 R CA -0.198 55.826 56.100 -0.127 0.000 1.059 47 R CB 0.560 30.900 30.300 0.067 0.000 1.086 47 R HN 0.114 nan 8.270 nan 0.000 0.522 48 L N -0.675 120.414 121.223 -0.225 0.000 2.335 48 L HA 0.312 4.652 4.340 -0.000 0.000 0.268 48 L C -0.159 176.611 176.870 -0.166 0.000 1.016 48 L CA -0.996 53.785 54.840 -0.099 0.000 0.805 48 L CB 0.070 42.114 42.059 -0.025 0.000 1.311 48 L HN -0.130 nan 8.230 nan 0.000 0.456 49 Y N -0.756 119.569 120.300 0.042 0.000 2.442 49 Y HA 0.050 4.600 4.550 -0.000 0.000 0.330 49 Y C 1.012 176.933 175.900 0.035 0.000 1.129 49 Y CA 0.270 58.452 58.100 0.137 0.000 1.365 49 Y CB 0.782 39.406 38.460 0.273 0.000 1.233 49 Y HN 0.515 nan 8.280 nan 0.000 0.529 50 c N 0.908 119.632 118.600 0.206 0.000 2.865 50 c HA 0.320 4.890 4.570 -0.000 0.000 0.280 50 c C 1.724 175.997 174.090 0.305 0.000 1.255 50 c CA 0.559 56.911 56.329 0.039 0.000 1.705 50 c CB -0.437 42.077 42.510 0.006 0.000 2.080 50 c HN 1.208 nan 8.230 nan 0.000 0.591 51 G N 0.190 109.277 108.800 0.477 0.000 2.211 51 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.201 51 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.201 51 G C 0.396 175.451 174.900 0.259 0.000 0.997 51 G CA -0.103 45.247 45.100 0.417 0.000 0.652 51 G HN 0.771 nan 8.290 nan 0.000 0.500 52 G N 0.929 109.879 108.800 0.251 0.000 2.305 52 G HA2 0.506 4.466 3.960 -0.000 0.000 0.243 52 G HA3 0.506 4.466 3.960 -0.000 0.000 0.243 52 G C 0.041 175.046 174.900 0.176 0.000 1.288 52 G CA 1.100 46.322 45.100 0.203 0.000 0.901 52 G HN 0.960 nan 8.290 nan 0.000 0.516 53 D N 0.058 120.538 120.400 0.133 0.000 2.732 53 D HA 0.300 4.940 4.640 -0.000 0.000 0.292 53 D C 0.555 176.940 176.300 0.142 0.000 1.135 53 D CA -0.952 53.078 54.000 0.051 0.000 1.071 53 D CB 0.377 41.204 40.800 0.045 0.000 1.457 53 D HN 0.305 nan 8.370 nan 0.000 0.547 54 W N -0.599 120.777 121.300 0.127 0.000 2.402 54 W HA -0.015 4.645 4.660 -0.000 0.000 0.286 54 W C 2.003 178.569 176.519 0.079 0.000 1.221 54 W CA 0.765 58.164 57.345 0.090 0.000 1.257 54 W CB -0.857 28.676 29.460 0.123 0.000 1.120 54 W HN 0.534 nan 8.180 nan 0.000 0.551 55 Q N 0.483 120.454 119.800 0.286 0.000 2.170 55 Q HA -0.059 4.281 4.340 -0.000 0.000 0.203 55 Q C 2.360 178.445 176.000 0.142 0.000 0.976 55 Q CA 2.286 58.197 55.803 0.179 0.000 0.858 55 Q CB -0.921 27.895 28.738 0.131 0.000 0.907 55 Q HN 0.152 nan 8.270 nan 0.000 0.433 56 G N 0.390 109.286 108.800 0.159 0.000 2.402 56 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.216 56 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.216 56 G C 1.425 176.437 174.900 0.186 0.000 1.162 56 G CA 0.864 46.045 45.100 0.135 0.000 0.777 56 G HN 0.423 nan 8.290 nan 0.000 0.539 57 I N 0.564 121.305 120.570 0.284 0.000 2.226 57 I HA -0.132 4.037 4.170 -0.000 0.000 0.245 57 I C 2.643 178.864 176.117 0.174 0.000 1.100 57 I CA 0.772 62.258 61.300 0.311 0.000 1.374 57 I CB -0.237 37.905 38.000 0.238 0.000 1.057 57 I HN 0.145 nan 8.210 nan 0.000 0.413 58 I N 0.997 121.641 120.570 0.124 0.000 2.208 58 I HA -0.310 3.860 4.170 -0.000 0.000 0.245 58 I C 2.239 178.381 176.117 0.042 0.000 1.097 58 I CA 1.338 62.675 61.300 0.062 0.000 1.363 58 I CB -0.577 37.456 38.000 0.057 0.000 1.051 58 I HN 0.327 nan 8.210 nan 0.000 0.413 59 N N 1.007 119.728 118.700 0.035 0.000 2.120 59 N HA -0.153 4.587 4.740 -0.000 0.000 0.188 59 N C 1.724 177.203 175.510 -0.053 0.000 1.024 59 N CA 1.158 54.198 53.050 -0.016 0.000 0.852 59 N CB -0.271 38.192 38.487 -0.041 0.000 1.003 59 N HN 0.244 nan 8.380 nan 0.000 0.424 60 K N 0.895 121.265 120.400 -0.050 0.000 2.288 60 K HA 0.101 4.421 4.320 -0.000 0.000 0.201 60 K C 2.040 178.669 176.600 0.048 0.000 1.048 60 K CA 0.241 56.484 56.287 -0.073 0.000 0.956 60 K CB -0.196 32.291 32.500 -0.021 0.000 0.746 60 K HN 0.324 nan 8.250 nan 0.000 0.461 61 I N 1.262 121.866 120.570 0.056 0.000 2.333 61 I HA -0.204 3.966 4.170 -0.000 0.000 0.246 61 I C 1.519 177.644 176.117 0.014 0.000 1.106 61 I CA 0.799 62.122 61.300 0.037 0.000 1.411 61 I CB -0.134 37.881 38.000 0.025 0.000 1.082 61 I HN 0.121 nan 8.210 nan 0.000 0.420 62 N N 1.057 119.760 118.700 0.005 0.000 2.354 62 N HA -0.130 4.610 4.740 -0.000 0.000 0.179 62 N C 1.008 176.514 175.510 -0.006 0.000 1.021 62 N CA 1.253 54.302 53.050 -0.002 0.000 0.887 62 N CB -0.320 38.165 38.487 -0.004 0.000 0.974 62 N HN 0.495 nan 8.380 nan 0.000 0.437 63 D N -0.893 119.498 120.400 -0.016 0.000 2.328 63 D HA 0.148 4.788 4.640 -0.000 0.000 0.226 63 D C 1.123 177.431 176.300 0.013 0.000 1.066 63 D CA 0.293 54.283 54.000 -0.017 0.000 0.861 63 D CB -0.319 40.447 40.800 -0.056 0.000 0.912 63 D HN 0.168 nan 8.370 nan 0.000 0.521 64 G N -0.261 108.555 108.800 0.027 0.000 2.159 64 G HA2 -0.446 3.514 3.960 -0.000 0.000 0.256 64 G HA3 -0.446 3.514 3.960 -0.000 0.000 0.256 64 G C 0.612 175.571 174.900 0.098 0.000 0.977 64 G CA 0.415 45.543 45.100 0.046 0.000 0.652 64 G HN 0.380 nan 8.290 nan 0.000 0.531 65 Y N 0.729 121.024 120.300 -0.008 0.000 2.145 65 Y HA 0.079 4.629 4.550 -0.000 0.000 0.286 65 Y C 2.615 178.572 175.900 0.094 0.000 1.145 65 Y CA 2.377 60.518 58.100 0.067 0.000 1.148 65 Y CB -0.318 38.125 38.460 -0.027 0.000 0.981 65 Y HN 0.304 nan 8.280 nan 0.000 0.507 66 L N -0.837 120.350 121.223 -0.061 0.000 2.095 66 L HA -0.143 4.197 4.340 -0.000 0.000 0.204 66 L C 2.586 179.337 176.870 -0.198 0.000 1.080 66 L CA 1.652 56.348 54.840 -0.239 0.000 0.759 66 L CB -1.193 40.776 42.059 -0.149 0.000 0.914 66 L HN 0.312 nan 8.230 nan 0.000 0.439 67 T N -2.678 111.818 114.554 -0.096 0.000 2.788 67 T HA -0.116 4.234 4.350 -0.000 0.000 0.268 67 T C 1.911 176.560 174.700 -0.085 0.000 1.044 67 T CA 1.113 63.165 62.100 -0.080 0.000 1.139 67 T CB -0.940 67.905 68.868 -0.039 0.000 0.867 67 T HN 0.379 nan 8.240 nan 0.000 0.454 68 G N 0.298 109.072 108.800 -0.043 0.000 2.509 68 G HA2 0.011 3.971 3.960 -0.000 0.000 0.218 68 G HA3 0.011 3.971 3.960 -0.000 0.000 0.218 68 G C 1.448 176.296 174.900 -0.088 0.000 1.124 68 G CA 0.466 45.575 45.100 0.015 0.000 0.776 68 G HN 0.519 nan 8.290 nan 0.000 0.547 69 M N -0.136 119.264 119.600 -0.334 0.000 2.510 69 M HA 0.244 4.724 4.480 -0.000 0.000 0.256 69 M C 1.720 177.785 176.300 -0.391 0.000 1.132 69 M CA 0.996 55.875 55.300 -0.702 0.000 1.105 69 M CB 0.466 32.485 32.600 -0.969 0.000 1.375 69 M HN 0.347 nan 8.290 nan 0.000 0.477 70 G N 0.640 109.293 108.800 -0.246 0.000 2.157 70 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.239 70 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.239 70 G C -0.045 174.765 174.900 -0.150 0.000 0.982 70 G CA 0.067 45.063 45.100 -0.174 0.000 0.650 70 G HN 0.314 nan 8.290 nan 0.000 0.527 71 V N 1.759 121.574 119.914 -0.165 0.000 2.585 71 V HA 0.451 4.571 4.120 -0.000 0.000 0.296 71 V C 1.617 177.667 176.094 -0.073 0.000 1.035 71 V CA 1.468 63.708 62.300 -0.101 0.000 1.084 71 V CB 1.286 33.027 31.823 -0.136 0.000 0.953 71 V HN 0.821 nan 8.190 nan 0.000 0.483 72 T N 0.703 115.230 114.554 -0.045 0.000 3.091 72 T HA 0.665 5.015 4.350 -0.000 0.000 0.277 72 T C 0.044 174.731 174.700 -0.022 0.000 0.996 72 T CA 0.385 62.449 62.100 -0.060 0.000 0.897 72 T CB 0.459 69.260 68.868 -0.111 0.000 1.109 72 T HN 1.067 nan 8.240 nan 0.000 0.534 73 A N 1.589 124.447 122.820 0.064 0.000 2.594 73 A HA 0.738 5.058 4.320 -0.000 0.000 0.296 73 A C -1.202 176.525 177.584 0.238 0.000 1.061 73 A CA -1.188 50.950 52.037 0.169 0.000 0.689 73 A CB 1.052 20.216 19.000 0.273 0.000 1.280 73 A HN 0.777 nan 8.150 nan 0.000 0.406 74 I N -1.951 118.774 120.570 0.259 0.000 2.569 74 I HA 0.885 5.055 4.170 -0.000 0.000 0.296 74 I C -1.094 175.242 176.117 0.366 0.000 1.028 74 I CA -0.776 60.689 61.300 0.276 0.000 1.082 74 I CB 2.090 40.184 38.000 0.156 0.000 1.264 74 I HN 0.784 nan 8.210 nan 0.000 0.429 75 W N 8.852 130.244 121.300 0.153 0.000 2.393 75 W HA 0.711 5.371 4.660 -0.000 0.000 0.315 75 W C -1.305 175.248 176.519 0.057 0.000 1.009 75 W CA -1.902 55.527 57.345 0.141 0.000 1.313 75 W CB 0.686 30.279 29.460 0.220 0.000 1.269 75 W HN 0.654 nan 8.180 nan 0.000 0.420 76 I N 2.381 123.122 120.570 0.285 0.000 2.793 76 I HA 0.650 4.820 4.170 -0.000 0.000 0.313 76 I C 0.509 176.613 176.117 -0.022 0.000 0.998 76 I CA -0.910 60.406 61.300 0.027 0.000 1.140 76 I CB 1.434 39.465 38.000 0.052 0.000 1.327 76 I HN 0.176 nan 8.210 nan 0.000 0.491 77 S N 1.741 117.283 115.700 -0.263 0.000 2.566 77 S HA -0.043 4.427 4.470 -0.000 0.000 0.280 77 S C 0.041 174.541 174.600 -0.166 0.000 1.343 77 S CA -0.319 57.645 58.200 -0.394 0.000 1.036 77 S CB 0.264 63.104 63.200 -0.601 0.000 0.866 77 S HN 0.698 nan 8.310 nan 0.000 0.526 78 Q N 3.050 122.707 119.800 -0.240 0.000 2.262 78 Q HA -0.023 4.317 4.340 -0.000 0.000 0.298 78 Q C -1.378 174.641 176.000 0.032 0.000 1.083 78 Q CA -1.093 54.629 55.803 -0.134 0.000 0.962 78 Q CB 0.569 29.172 28.738 -0.226 0.000 1.104 78 Q HN 0.370 nan 8.270 nan 0.000 0.376 79 P HA -0.068 nan 4.420 nan 0.000 0.233 79 P C 0.454 177.879 177.300 0.209 0.000 1.167 79 P CA 0.420 63.690 63.100 0.283 0.000 0.770 79 P CB -0.123 31.492 31.700 -0.141 0.000 0.837 80 V N -1.309 118.592 119.914 -0.022 0.000 2.963 80 V HA 0.167 4.287 4.120 -0.000 0.000 0.306 80 V C 0.501 176.578 176.094 -0.028 0.000 1.077 80 V CA -0.941 61.413 62.300 0.090 0.000 1.124 80 V CB -0.051 31.738 31.823 -0.056 0.000 0.987 80 V HN 0.015 nan 8.190 nan 0.000 0.487 81 E N 3.212 123.412 120.200 -0.001 0.000 2.417 81 E HA 0.088 4.438 4.350 -0.000 0.000 0.261 81 E C -0.056 176.409 176.600 -0.226 0.000 1.000 81 E CA 0.109 56.438 56.400 -0.119 0.000 0.919 81 E CB 0.228 29.904 29.700 -0.039 0.000 0.955 81 E HN 0.902 nan 8.360 nan 0.000 0.455 82 N N 3.062 121.560 118.700 -0.338 0.000 2.518 82 N HA 0.325 5.065 4.740 -0.000 0.000 0.284 82 N C 0.084 175.338 175.510 -0.428 0.000 1.230 82 N CA -0.833 52.047 53.050 -0.283 0.000 0.941 82 N CB 0.928 39.277 38.487 -0.230 0.000 1.219 82 N HN 0.472 nan 8.380 nan 0.000 0.560 83 I N -1.254 119.201 120.570 -0.193 0.000 2.836 83 I HA 0.005 4.175 4.170 -0.000 0.000 0.285 83 I C -0.156 175.791 176.117 -0.282 0.000 1.174 83 I CA 0.012 61.201 61.300 -0.185 0.000 1.405 83 I CB 0.248 38.244 38.000 -0.007 0.000 1.385 83 I HN 0.617 nan 8.210 nan 0.000 0.594 84 Y N 1.907 122.224 120.300 0.029 0.000 2.449 84 Y HA 0.213 4.763 4.550 -0.000 0.000 0.254 84 Y C 1.451 177.379 175.900 0.046 0.000 1.140 84 Y CA -0.199 57.916 58.100 0.026 0.000 1.272 84 Y CB -0.089 38.351 38.460 -0.032 0.000 1.114 84 Y HN 0.553 nan 8.280 nan 0.000 0.525 85 S N 1.204 116.985 115.700 0.136 0.000 2.568 85 S HA 0.152 4.622 4.470 -0.000 0.000 0.282 85 S C 0.060 174.714 174.600 0.089 0.000 1.338 85 S CA -0.075 58.160 58.200 0.058 0.000 1.045 85 S CB 0.316 63.474 63.200 -0.070 0.000 0.873 85 S HN 0.134 nan 8.310 nan 0.000 0.516 86 I N 3.263 123.867 120.570 0.057 0.000 2.347 86 I HA 0.283 4.453 4.170 -0.000 0.000 0.283 86 I C -0.336 175.781 176.117 -0.001 0.000 1.058 86 I CA -0.195 61.156 61.300 0.084 0.000 1.202 86 I CB 0.285 38.338 38.000 0.088 0.000 1.386 86 I HN 0.450 nan 8.210 nan 0.000 0.475 87 I N 5.751 126.306 120.570 -0.025 0.000 2.496 87 I HA 0.088 4.258 4.170 -0.000 0.000 0.285 87 I C 0.596 176.604 176.117 -0.181 0.000 1.080 87 I CA -0.042 61.124 61.300 -0.222 0.000 1.404 87 I CB 0.458 38.200 38.000 -0.431 0.000 1.403 87 I HN 0.562 nan 8.210 nan 0.000 0.539 88 N N 6.656 125.244 118.700 -0.186 0.000 2.457 88 N HA 0.182 4.922 4.740 -0.000 0.000 0.250 88 N C -1.650 173.791 175.510 -0.115 0.000 0.982 88 N CA -0.337 52.667 53.050 -0.078 0.000 0.941 88 N CB 0.683 39.166 38.487 -0.006 0.000 1.120 88 N HN 0.320 nan 8.380 nan 0.000 0.505 89 Y N 1.875 122.249 120.300 0.123 0.000 2.402 89 Y HA 0.187 4.737 4.550 -0.000 0.000 0.332 89 Y C 0.770 176.702 175.900 0.055 0.000 0.960 89 Y CA -0.649 57.505 58.100 0.090 0.000 1.228 89 Y CB 0.925 39.445 38.460 0.100 0.000 1.120 89 Y HN 0.515 nan 8.280 nan 0.000 0.491 90 S N 2.377 118.186 115.700 0.182 0.000 3.682 90 S HA -0.167 4.303 4.470 -0.000 0.000 0.354 90 S C 1.213 175.863 174.600 0.083 0.000 1.034 90 S CA 0.975 59.237 58.200 0.104 0.000 1.084 90 S CB -1.528 61.724 63.200 0.088 0.000 0.903 90 S HN 1.611 nan 8.310 nan 0.000 0.470 91 G N -1.739 107.107 108.800 0.076 0.000 2.143 91 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.248 91 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.248 91 G C -0.044 174.897 174.900 0.068 0.000 0.991 91 G CA 0.041 45.176 45.100 0.059 0.000 0.689 91 G HN 1.423 nan 8.290 nan 0.000 0.522 92 V N 0.801 120.773 119.914 0.098 0.000 2.483 92 V HA 0.434 4.554 4.120 -0.000 0.000 0.297 92 V C -0.116 176.057 176.094 0.131 0.000 1.027 92 V CA -1.617 60.748 62.300 0.107 0.000 0.855 92 V CB 1.730 33.625 31.823 0.120 0.000 0.995 92 V HN 0.271 nan 8.190 nan 0.000 0.424 93 N N 4.016 122.779 118.700 0.105 0.000 2.518 93 N HA 0.325 5.065 4.740 -0.000 0.000 0.266 93 N C -0.591 175.021 175.510 0.171 0.000 1.196 93 N CA 0.114 53.232 53.050 0.114 0.000 0.947 93 N CB 0.739 39.279 38.487 0.088 0.000 1.098 93 N HN 0.676 nan 8.380 nan 0.000 0.450 94 N N 0.024 118.860 118.700 0.226 0.000 2.225 94 N HA 0.378 5.118 4.740 -0.000 0.000 0.298 94 N C -0.479 175.242 175.510 0.351 0.000 1.076 94 N CA -0.389 52.866 53.050 0.342 0.000 0.792 94 N CB 2.291 41.125 38.487 0.578 0.000 1.498 94 N HN 0.530 nan 8.380 nan 0.000 0.474 95 T N -2.857 111.863 114.554 0.278 0.000 2.910 95 T HA 0.643 4.993 4.350 -0.000 0.000 0.287 95 T C 0.334 174.890 174.700 -0.241 0.000 1.050 95 T CA -0.769 61.436 62.100 0.176 0.000 1.011 95 T CB 1.615 70.564 68.868 0.134 0.000 1.195 95 T HN 0.354 nan 8.240 nan 0.000 0.540 96 A N 0.352 122.948 122.820 -0.373 0.000 2.579 96 A HA 0.311 4.631 4.320 -0.000 0.000 0.273 96 A C 1.252 178.119 177.584 -1.195 0.000 1.363 96 A CA -0.366 51.067 52.037 -1.005 0.000 0.953 96 A CB -1.590 17.214 19.000 -0.327 0.000 1.034 96 A HN 0.939 nan 8.150 nan 0.000 0.536 97 Y N -0.052 119.462 120.300 -1.310 0.000 2.298 97 Y HA -0.330 4.220 4.550 -0.000 0.000 0.287 97 Y C 1.799 177.372 175.900 -0.544 0.000 1.164 97 Y CA 1.801 59.162 58.100 -1.231 0.000 1.229 97 Y CB -1.205 36.724 38.460 -0.885 0.000 0.977 97 Y HN 0.656 nan 8.280 nan 0.000 0.538 98 H N -1.414 116.860 119.070 -1.328 0.000 2.529 98 H HA 0.326 4.882 4.556 -0.000 0.000 0.277 98 H C 1.994 176.841 175.328 -0.801 0.000 0.999 98 H CA 0.078 55.521 56.048 -1.009 0.000 1.256 98 H CB -0.611 28.685 29.762 -0.778 0.000 1.402 98 H HN 0.419 nan 8.280 nan 0.000 0.566 99 G N -0.233 108.185 108.800 -0.637 0.000 2.159 99 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.256 99 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.256 99 G C 0.353 175.045 174.900 -0.348 0.000 0.977 99 G CA 0.520 45.375 45.100 -0.409 0.000 0.652 99 G HN 0.534 nan 8.290 nan 0.000 0.531 100 Y N -1.242 119.101 120.300 0.071 0.000 2.466 100 Y HA 0.348 4.898 4.550 -0.000 0.000 0.272 100 Y C 0.885 177.007 175.900 0.370 0.000 1.169 100 Y CA -0.321 57.870 58.100 0.151 0.000 1.285 100 Y CB 0.324 38.851 38.460 0.111 0.000 1.078 100 Y HN 0.390 nan 8.280 nan 0.000 0.523 101 W N 1.410 122.839 121.300 0.216 0.000 2.101 101 W HA 0.678 5.338 4.660 -0.000 0.000 0.301 101 W C 0.072 176.552 176.519 -0.065 0.000 0.846 101 W CA -2.141 55.281 57.345 0.128 0.000 1.823 101 W CB -0.609 28.918 29.460 0.111 0.000 2.007 101 W HN -0.168 nan 8.180 nan 0.000 0.373 102 A N 2.274 125.111 122.820 0.027 0.000 2.445 102 A HA 0.444 4.764 4.320 -0.000 0.000 0.242 102 A C 1.323 178.841 177.584 -0.110 0.000 1.075 102 A CA 0.073 51.946 52.037 -0.273 0.000 0.777 102 A CB 0.542 18.979 19.000 -0.937 0.000 1.013 102 A HN 0.661 nan 8.150 nan 0.000 0.493 103 R N 0.006 120.452 120.500 -0.091 0.000 2.513 103 R HA 0.300 4.640 4.340 -0.000 0.000 0.245 103 R C -0.824 175.621 176.300 0.241 0.000 0.908 103 R CA 0.128 56.302 56.100 0.123 0.000 1.023 103 R CB 0.729 31.096 30.300 0.112 0.000 1.338 103 R HN 0.502 nan 8.270 nan 0.000 0.575 104 D N 0.058 120.526 120.400 0.112 0.000 2.452 104 D HA 0.143 4.782 4.640 -0.000 0.000 0.226 104 D C -0.687 175.771 176.300 0.264 0.000 1.366 104 D CA -0.583 53.600 54.000 0.304 0.000 0.986 104 D CB 0.863 41.812 40.800 0.249 0.000 1.420 104 D HN -0.012 nan 8.370 nan 0.000 0.583 105 F N 1.757 121.950 119.950 0.405 0.000 2.802 105 F HA 0.149 4.676 4.527 -0.000 0.000 0.300 105 F C 2.056 178.127 175.800 0.451 0.000 1.168 105 F CA 0.565 58.791 58.000 0.376 0.000 1.433 105 F CB 0.261 39.418 39.000 0.261 0.000 1.115 105 F HN 0.106 nan 8.300 nan 0.000 0.582 106 K N -0.217 120.464 120.400 0.468 0.000 2.373 106 K HA 0.170 4.490 4.320 -0.000 0.000 0.202 106 K C 0.206 176.895 176.600 0.149 0.000 1.025 106 K CA 0.144 56.578 56.287 0.245 0.000 1.115 106 K CB 0.536 33.154 32.500 0.197 0.000 0.858 106 K HN 0.101 nan 8.250 nan 0.000 0.525 107 K N 0.756 121.303 120.400 0.245 0.000 2.444 107 K HA 0.232 4.552 4.320 -0.000 0.000 0.252 107 K C -0.217 176.562 176.600 0.298 0.000 0.993 107 K CA -0.667 55.732 56.287 0.185 0.000 0.847 107 K CB 2.044 34.628 32.500 0.140 0.000 1.340 107 K HN -0.035 nan 8.250 nan 0.000 0.446 108 T N -1.455 113.267 114.554 0.280 0.000 2.874 108 T HA 0.165 4.515 4.350 -0.000 0.000 0.281 108 T C 0.255 175.041 174.700 0.144 0.000 0.994 108 T CA -0.793 61.537 62.100 0.383 0.000 1.015 108 T CB 0.770 69.949 68.868 0.519 0.000 1.028 108 T HN 0.441 nan 8.240 nan 0.000 0.523 109 N N 1.872 120.580 118.700 0.014 0.000 2.401 109 N HA 0.221 4.960 4.740 -0.000 0.000 0.255 109 N C -1.876 173.449 175.510 -0.307 0.000 1.110 109 N CA -2.198 50.683 53.050 -0.282 0.000 0.949 109 N CB 1.106 39.182 38.487 -0.685 0.000 1.110 109 N HN 0.290 nan 8.380 nan 0.000 0.490 110 P HA -0.150 nan 4.420 nan 0.000 0.217 110 P C 0.769 177.931 177.300 -0.229 0.000 1.148 110 P CA 1.366 64.391 63.100 -0.125 0.000 0.834 110 P CB 0.248 31.930 31.700 -0.030 0.000 0.783 111 A N -1.868 120.732 122.820 -0.366 0.000 1.969 111 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 111 A C 1.782 179.219 177.584 -0.244 0.000 1.169 111 A CA 1.408 53.216 52.037 -0.381 0.000 0.635 111 A CB -1.559 17.070 19.000 -0.619 0.000 0.810 111 A HN 0.130 nan 8.150 nan 0.000 0.445 112 Y N -0.817 119.186 120.300 -0.494 0.000 2.269 112 Y HA 0.381 4.931 4.550 -0.000 0.000 0.294 112 Y C 1.597 176.958 175.900 -0.898 0.000 1.120 112 Y CA 0.139 57.684 58.100 -0.924 0.000 1.159 112 Y CB -0.746 36.711 38.460 -1.672 0.000 1.024 112 Y HN 0.441 nan 8.280 nan 0.000 0.532 113 G N -1.155 107.335 108.800 -0.517 0.000 2.341 113 G HA2 0.322 4.282 3.960 -0.000 0.000 0.293 113 G HA3 0.322 4.282 3.960 -0.000 0.000 0.293 113 G C -0.707 174.316 174.900 0.206 0.000 1.298 113 G CA -0.499 44.589 45.100 -0.020 0.000 0.868 113 G HN 0.196 nan 8.290 nan 0.000 0.540 114 T N -1.530 113.221 114.554 0.328 0.000 2.849 114 T HA 0.562 4.912 4.350 -0.000 0.000 0.276 114 T C 1.604 176.563 174.700 0.431 0.000 0.971 114 T CA -0.404 61.876 62.100 0.299 0.000 0.949 114 T CB 0.885 69.862 68.868 0.182 0.000 1.093 114 T HN 0.424 nan 8.240 nan 0.000 0.545 115 I N 0.721 121.459 120.570 0.279 0.000 2.264 115 I HA -0.124 4.046 4.170 -0.000 0.000 0.248 115 I C 2.984 179.245 176.117 0.240 0.000 1.111 115 I CA 1.750 63.188 61.300 0.231 0.000 1.382 115 I CB -2.071 35.983 38.000 0.090 0.000 1.060 115 I HN 0.876 nan 8.210 nan 0.000 0.418 116 A N 0.652 123.587 122.820 0.192 0.000 1.902 116 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 116 A C 2.013 179.706 177.584 0.182 0.000 1.181 116 A CA 1.880 54.008 52.037 0.151 0.000 0.623 116 A CB -0.577 18.491 19.000 0.114 0.000 0.818 116 A HN 0.363 nan 8.150 nan 0.000 0.443 117 D N -1.148 119.416 120.400 0.274 0.000 2.117 117 D HA -0.141 4.498 4.640 -0.000 0.000 0.197 117 D C 1.630 178.091 176.300 0.268 0.000 0.987 117 D CA 1.213 55.407 54.000 0.324 0.000 0.829 117 D CB -0.415 40.684 40.800 0.499 0.000 0.961 117 D HN 0.463 nan 8.370 nan 0.000 0.460 118 F N 1.754 121.769 119.950 0.109 0.000 2.134 118 F HA -0.178 4.348 4.527 -0.000 0.000 0.299 118 F C 2.448 178.151 175.800 -0.162 0.000 1.097 118 F CA 1.443 59.268 58.000 -0.292 0.000 1.264 118 F CB -0.111 38.704 39.000 -0.308 0.000 1.001 118 F HN -0.084 nan 8.300 nan 0.000 0.479 119 Q N -0.207 119.626 119.800 0.056 0.000 2.124 119 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 119 Q C 1.847 177.784 176.000 -0.105 0.000 0.977 119 Q CA 1.469 57.259 55.803 -0.022 0.000 0.850 119 Q CB -0.351 28.419 28.738 0.053 0.000 0.901 119 Q HN 0.430 nan 8.270 nan 0.000 0.429 120 N N 0.664 119.331 118.700 -0.055 0.000 2.244 120 N HA -0.121 4.619 4.740 -0.000 0.000 0.183 120 N C 1.720 177.155 175.510 -0.124 0.000 1.016 120 N CA 0.672 53.690 53.050 -0.054 0.000 0.866 120 N CB -0.120 38.375 38.487 0.013 0.000 0.980 120 N HN 0.153 nan 8.380 nan 0.000 0.430 121 L N 1.295 122.389 121.223 -0.215 0.000 2.027 121 L HA -0.009 4.331 4.340 -0.000 0.000 0.206 121 L C 1.911 178.546 176.870 -0.392 0.000 1.074 121 L CA 1.275 55.935 54.840 -0.300 0.000 0.745 121 L CB -0.616 41.148 42.059 -0.491 0.000 0.898 121 L HN -0.027 nan 8.230 nan 0.000 0.433 122 I N 0.296 120.541 120.570 -0.542 0.000 2.163 122 I HA -0.289 3.881 4.170 -0.000 0.000 0.243 122 I C 2.680 178.456 176.117 -0.568 0.000 1.085 122 I CA 1.581 62.511 61.300 -0.617 0.000 1.347 122 I CB -1.859 35.824 38.000 -0.528 0.000 1.044 122 I HN 0.388 nan 8.210 nan 0.000 0.408 123 A N 0.762 123.395 122.820 -0.312 0.000 1.877 123 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 123 A C 2.578 180.095 177.584 -0.112 0.000 1.186 123 A CA 2.035 53.973 52.037 -0.166 0.000 0.620 123 A CB -0.824 18.124 19.000 -0.086 0.000 0.822 123 A HN 0.419 nan 8.150 nan 0.000 0.443 124 A N -0.187 122.565 122.820 -0.113 0.000 1.902 124 A HA 0.168 4.488 4.320 -0.000 0.000 0.217 124 A C 2.507 180.060 177.584 -0.053 0.000 1.181 124 A CA 2.133 54.132 52.037 -0.063 0.000 0.623 124 A CB -1.012 17.958 19.000 -0.051 0.000 0.818 124 A HN 1.022 nan 8.150 nan 0.000 0.443 125 A N -0.665 122.096 122.820 -0.098 0.000 1.858 125 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 125 A C 1.947 179.569 177.584 0.063 0.000 1.190 125 A CA 1.624 53.637 52.037 -0.041 0.000 0.617 125 A CB -1.107 17.843 19.000 -0.083 0.000 0.827 125 A HN 0.753 nan 8.150 nan 0.000 0.443 126 H N -0.790 118.248 119.070 -0.053 0.000 2.421 126 H HA -0.026 4.530 4.556 -0.000 0.000 0.298 126 H C 2.398 177.699 175.328 -0.044 0.000 1.087 126 H CA 0.551 56.570 56.048 -0.048 0.000 1.330 126 H CB 0.013 29.748 29.762 -0.044 0.000 1.388 126 H HN 0.570 nan 8.280 nan 0.000 0.526 127 A N 0.942 123.813 122.820 0.085 0.000 2.070 127 A HA -0.117 4.203 4.320 -0.000 0.000 0.220 127 A C 1.664 179.256 177.584 0.013 0.000 1.159 127 A CA 1.204 53.261 52.037 0.033 0.000 0.656 127 A CB 0.079 19.087 19.000 0.013 0.000 0.800 127 A HN 0.136 nan 8.150 nan 0.000 0.453 128 K N 0.012 120.420 120.400 0.013 0.000 2.514 128 K HA 0.126 4.446 4.320 -0.000 0.000 0.207 128 K C -0.328 176.264 176.600 -0.014 0.000 1.035 128 K CA -0.305 55.979 56.287 -0.004 0.000 1.113 128 K CB 0.010 32.507 32.500 -0.006 0.000 0.846 128 K HN 0.473 nan 8.250 nan 0.000 0.491 129 N N 0.972 119.665 118.700 -0.012 0.000 2.754 129 N HA -0.207 4.533 4.740 -0.000 0.000 0.248 129 N C -0.651 174.833 175.510 -0.043 0.000 1.093 129 N CA 0.741 53.764 53.050 -0.044 0.000 0.699 129 N CB -1.412 37.036 38.487 -0.066 0.000 1.016 129 N HN 0.344 nan 8.380 nan 0.000 0.552 130 I N 0.739 121.315 120.570 0.010 0.000 2.389 130 I HA 0.199 4.369 4.170 -0.000 0.000 0.288 130 I C 0.598 176.775 176.117 0.100 0.000 0.999 130 I CA -0.610 60.704 61.300 0.024 0.000 1.129 130 I CB 1.496 39.511 38.000 0.026 0.000 1.288 130 I HN -0.196 nan 8.210 nan 0.000 0.444 131 K N 4.541 124.976 120.400 0.058 0.000 2.126 131 K HA 0.560 4.880 4.320 -0.000 0.000 0.257 131 K C -0.882 175.860 176.600 0.238 0.000 1.007 131 K CA -0.574 55.796 56.287 0.137 0.000 0.928 131 K CB 1.663 34.146 32.500 -0.028 0.000 1.013 131 K HN 0.272 nan 8.250 nan 0.000 0.473 132 V N 3.903 123.985 119.914 0.281 0.000 2.444 132 V HA 0.364 4.484 4.120 -0.000 0.000 0.294 132 V C -0.355 175.903 176.094 0.273 0.000 1.022 132 V CA -0.735 61.691 62.300 0.209 0.000 0.850 132 V CB 1.121 32.960 31.823 0.027 0.000 0.992 132 V HN 0.584 nan 8.190 nan 0.000 0.426 133 I N 6.161 126.902 120.570 0.285 0.000 2.377 133 I HA 0.560 4.730 4.170 -0.000 0.000 0.293 133 I C -0.164 176.078 176.117 0.209 0.000 0.987 133 I CA -0.610 60.829 61.300 0.231 0.000 1.185 133 I CB 1.763 39.904 38.000 0.234 0.000 1.341 133 I HN 0.606 nan 8.210 nan 0.000 0.455 134 I N 1.319 121.964 120.570 0.125 0.000 2.562 134 I HA 0.538 4.708 4.170 -0.000 0.000 0.301 134 I C -0.411 175.743 176.117 0.063 0.000 1.003 134 I CA -0.700 60.666 61.300 0.110 0.000 1.127 134 I CB 1.703 39.715 38.000 0.019 0.000 1.304 134 I HN 0.395 nan 8.210 nan 0.000 0.446 135 D N 3.804 124.281 120.400 0.129 0.000 2.341 135 D HA 0.319 4.959 4.640 -0.000 0.000 0.245 135 D C -1.598 174.795 176.300 0.156 0.000 1.106 135 D CA 0.380 54.465 54.000 0.141 0.000 0.905 135 D CB 1.333 42.227 40.800 0.158 0.000 1.202 135 D HN 0.459 nan 8.370 nan 0.000 0.426 136 F N 1.409 121.352 119.950 -0.011 0.000 2.585 136 F HA 0.464 4.991 4.527 -0.000 0.000 0.319 136 F C -0.861 175.006 175.800 0.111 0.000 1.165 136 F CA -0.900 57.118 58.000 0.030 0.000 0.949 136 F CB 1.696 40.709 39.000 0.021 0.000 1.218 136 F HN 0.279 nan 8.300 nan 0.000 0.453 137 A N 7.734 130.446 122.820 -0.180 0.000 2.938 137 A HA 0.487 4.807 4.320 -0.000 0.000 0.344 137 A C -2.345 175.134 177.584 -0.175 0.000 1.142 137 A CA -1.123 50.871 52.037 -0.072 0.000 0.841 137 A CB -0.226 18.824 19.000 0.083 0.000 1.083 137 A HN 0.458 nan 8.150 nan 0.000 0.479 138 P HA -0.022 nan 4.420 nan 0.000 0.255 138 P C 0.582 177.866 177.300 -0.027 0.000 1.301 138 P CA 0.420 63.369 63.100 -0.252 0.000 0.817 138 P CB 0.130 31.698 31.700 -0.220 0.000 1.259 139 N N 0.805 119.498 118.700 -0.011 0.000 2.300 139 N HA -0.099 4.641 4.740 -0.000 0.000 0.179 139 N C 0.842 176.442 175.510 0.151 0.000 1.016 139 N CA 0.665 53.799 53.050 0.140 0.000 0.876 139 N CB -0.003 38.639 38.487 0.259 0.000 0.979 139 N HN 0.268 nan 8.380 nan 0.000 0.432 140 H N -4.459 114.691 119.070 0.133 0.000 2.933 140 H HA 0.306 4.862 4.556 -0.000 0.000 0.310 140 H C -0.013 175.474 175.328 0.266 0.000 1.351 140 H CA -0.062 56.076 56.048 0.150 0.000 1.137 140 H CB 0.692 30.507 29.762 0.088 0.000 1.853 140 H HN 0.035 nan 8.280 nan 0.000 0.539 141 T N -1.059 113.705 114.554 0.350 0.000 3.587 141 T HA 0.338 4.688 4.350 -0.000 0.000 0.221 141 T C 0.663 175.530 174.700 0.278 0.000 0.921 141 T CA 0.892 63.171 62.100 0.297 0.000 1.426 141 T CB -0.510 68.552 68.868 0.323 0.000 1.340 141 T HN 0.868 nan 8.240 nan 0.000 0.423 142 S N 0.581 116.346 115.700 0.109 0.000 2.688 142 S HA 0.641 5.111 4.470 -0.000 0.000 0.275 142 S C -3.381 171.041 174.600 -0.298 0.000 1.175 142 S CA -1.535 56.614 58.200 -0.085 0.000 0.818 142 S CB 0.941 64.084 63.200 -0.095 0.000 1.157 142 S HN 0.204 nan 8.310 nan 0.000 0.482 143 P HA 0.469 nan 4.420 nan 0.000 0.264 143 P C -1.024 176.161 177.300 -0.192 0.000 1.193 143 P CA 0.376 63.283 63.100 -0.323 0.000 0.763 143 P CB 0.441 31.906 31.700 -0.393 0.000 0.810 144 A N 2.468 125.243 122.820 -0.075 0.000 2.587 144 A HA 0.716 5.036 4.320 -0.000 0.000 0.293 144 A C -0.963 176.654 177.584 0.054 0.000 1.087 144 A CA -0.496 51.520 52.037 -0.036 0.000 0.692 144 A CB 1.642 20.425 19.000 -0.362 0.000 1.291 144 A HN 0.334 nan 8.150 nan 0.000 0.407 145 S N -0.061 115.751 115.700 0.186 0.000 2.561 145 S HA 0.488 4.958 4.470 -0.000 0.000 0.303 145 S C 0.805 175.519 174.600 0.189 0.000 1.110 145 S CA 0.248 58.508 58.200 0.101 0.000 1.034 145 S CB 1.701 64.891 63.200 -0.016 0.000 1.010 145 S HN 1.126 nan 8.310 nan 0.000 0.482 146 S N 2.923 118.760 115.700 0.229 0.000 2.406 146 S HA -0.044 4.426 4.470 -0.000 0.000 0.228 146 S C 1.041 175.679 174.600 0.064 0.000 1.020 146 S CA 1.273 59.580 58.200 0.179 0.000 0.965 146 S CB -0.237 63.063 63.200 0.167 0.000 0.798 146 S HN 0.819 nan 8.310 nan 0.000 0.488 147 D N 0.407 120.831 120.400 0.039 0.000 2.289 147 D HA 0.076 4.716 4.640 -0.000 0.000 0.207 147 D C 0.363 176.668 176.300 0.009 0.000 0.966 147 D CA 0.645 54.649 54.000 0.006 0.000 0.868 147 D CB 0.099 40.891 40.800 -0.015 0.000 0.943 147 D HN 0.324 nan 8.370 nan 0.000 0.514 148 Q N 0.232 120.048 119.800 0.025 0.000 2.907 148 Q HA 0.210 4.550 4.340 -0.000 0.000 0.262 148 Q C -2.036 174.023 176.000 0.099 0.000 0.997 148 Q CA -1.626 54.205 55.803 0.046 0.000 0.797 148 Q CB 1.904 30.655 28.738 0.023 0.000 1.228 148 Q HN 0.014 nan 8.270 nan 0.000 0.466 149 P HA -0.172 nan 4.420 nan 0.000 0.220 149 P C 1.196 178.537 177.300 0.069 0.000 1.144 149 P CA 1.351 64.494 63.100 0.071 0.000 0.800 149 P CB 0.373 32.096 31.700 0.038 0.000 0.772 150 S N -2.424 113.321 115.700 0.074 0.000 2.558 150 S HA 0.005 4.475 4.470 -0.000 0.000 0.217 150 S C 0.516 175.159 174.600 0.071 0.000 0.975 150 S CA -0.443 57.791 58.200 0.056 0.000 0.912 150 S CB -1.111 62.116 63.200 0.045 0.000 0.776 150 S HN -0.011 nan 8.310 nan 0.000 0.526 151 F N 3.892 123.817 119.950 -0.042 0.000 2.543 151 F HA 0.498 5.025 4.527 -0.000 0.000 0.375 151 F C 1.007 176.754 175.800 -0.088 0.000 1.075 151 F CA -0.192 57.765 58.000 -0.072 0.000 1.225 151 F CB -0.183 38.769 39.000 -0.079 0.000 1.099 151 F HN 0.519 nan 8.300 nan 0.000 0.561 152 A N 4.824 127.120 122.820 -0.872 0.000 5.584 152 A HA -0.349 3.970 4.320 -0.000 0.000 0.303 152 A C 1.016 178.408 177.584 -0.320 0.000 1.923 152 A CA 1.454 53.053 52.037 -0.731 0.000 0.717 152 A CB -1.496 16.864 19.000 -1.067 0.000 1.281 152 A HN 0.823 nan 8.150 nan 0.000 0.379 153 E N 0.969 121.021 120.200 -0.247 0.000 2.496 153 E HA 0.248 4.598 4.350 -0.000 0.000 0.202 153 E C 0.481 177.046 176.600 -0.058 0.000 1.021 153 E CA 0.409 56.758 56.400 -0.084 0.000 1.015 153 E CB -0.202 29.493 29.700 -0.008 0.000 1.102 153 E HN 0.651 nan 8.360 nan 0.000 0.452 154 N N 0.384 119.027 118.700 -0.094 0.000 2.708 154 N HA -0.259 4.481 4.740 -0.000 0.000 0.251 154 N C 0.739 176.186 175.510 -0.104 0.000 1.123 154 N CA 0.265 53.289 53.050 -0.042 0.000 0.739 154 N CB -0.696 37.798 38.487 0.011 0.000 1.113 154 N HN 0.533 nan 8.380 nan 0.000 0.561 155 G N 0.139 108.846 108.800 -0.155 0.000 2.203 155 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.263 155 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.263 155 G C 0.169 175.028 174.900 -0.069 0.000 1.012 155 G CA 0.764 45.747 45.100 -0.195 0.000 0.749 155 G HN 0.628 nan 8.290 nan 0.000 0.512 156 R N -0.927 119.587 120.500 0.022 0.000 2.583 156 R HA 0.284 4.624 4.340 -0.000 0.000 0.274 156 R C 0.195 176.587 176.300 0.153 0.000 0.998 156 R CA -0.067 56.076 56.100 0.073 0.000 1.081 156 R CB 0.411 30.735 30.300 0.040 0.000 0.940 156 R HN 0.290 nan 8.270 nan 0.000 0.413 157 L N 4.344 125.624 121.223 0.095 0.000 2.313 157 L HA 0.370 4.710 4.340 -0.000 0.000 0.283 157 L C -1.470 175.322 176.870 -0.130 0.000 1.013 157 L CA -0.455 54.455 54.840 0.117 0.000 0.816 157 L CB 0.985 43.118 42.059 0.123 0.000 1.236 157 L HN 0.379 nan 8.230 nan 0.000 0.419 158 Y N 2.114 122.459 120.300 0.074 0.000 2.487 158 Y HA 0.464 5.014 4.550 -0.000 0.000 0.337 158 Y C -0.325 175.617 175.900 0.069 0.000 1.076 158 Y CA -0.746 57.388 58.100 0.055 0.000 1.115 158 Y CB 1.549 40.067 38.460 0.097 0.000 1.235 158 Y HN 0.578 nan 8.280 nan 0.000 0.468 159 D N 2.129 122.645 120.400 0.192 0.000 2.462 159 D HA 0.135 4.775 4.640 -0.000 0.000 0.249 159 D C -0.352 176.119 176.300 0.285 0.000 1.117 159 D CA -0.328 53.834 54.000 0.269 0.000 0.900 159 D CB -0.214 40.644 40.800 0.096 0.000 1.039 159 D HN 0.577 nan 8.370 nan 0.000 0.516 160 N N 3.417 122.305 118.700 0.313 0.000 2.725 160 N HA -0.235 4.505 4.740 -0.000 0.000 0.251 160 N C 0.967 176.577 175.510 0.168 0.000 1.031 160 N CA 1.950 55.124 53.050 0.207 0.000 0.720 160 N CB -1.060 37.523 38.487 0.159 0.000 0.930 160 N HN 0.807 nan 8.380 nan 0.000 0.543 161 G N -2.719 106.201 108.800 0.200 0.000 2.279 161 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.223 161 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.223 161 G C 0.248 175.314 174.900 0.276 0.000 1.015 161 G CA 0.250 45.452 45.100 0.169 0.000 0.621 161 G HN 0.702 nan 8.290 nan 0.000 0.506 162 T N 2.547 117.244 114.554 0.237 0.000 2.749 162 T HA 0.538 4.888 4.350 -0.000 0.000 0.295 162 T C 0.478 175.259 174.700 0.134 0.000 0.936 162 T CA -0.312 61.894 62.100 0.176 0.000 1.060 162 T CB 1.664 70.589 68.868 0.096 0.000 0.904 162 T HN 0.432 nan 8.240 nan 0.000 0.500 163 L N 5.152 126.398 121.223 0.038 0.000 2.462 163 L HA 0.193 4.533 4.340 -0.000 0.000 0.272 163 L C 0.761 177.495 176.870 -0.227 0.000 1.166 163 L CA -0.089 54.546 54.840 -0.341 0.000 0.880 163 L CB 0.332 42.201 42.059 -0.317 0.000 1.142 163 L HN 0.765 nan 8.230 nan 0.000 0.473 164 L N 4.731 125.786 121.223 -0.280 0.000 2.286 164 L HA 0.379 4.719 4.340 -0.000 0.000 0.203 164 L C 0.877 177.655 176.870 -0.154 0.000 1.068 164 L CA 0.546 55.264 54.840 -0.202 0.000 0.811 164 L CB 0.047 41.944 42.059 -0.269 0.000 0.989 164 L HN 0.808 nan 8.230 nan 0.000 0.467 165 G N -1.323 107.392 108.800 -0.141 0.000 2.328 165 G HA2 0.413 4.373 3.960 -0.000 0.000 0.299 165 G HA3 0.413 4.373 3.960 -0.000 0.000 0.299 165 G C -1.396 173.579 174.900 0.124 0.000 1.435 165 G CA -0.199 44.892 45.100 -0.016 0.000 0.865 165 G HN 0.136 nan 8.290 nan 0.000 0.601 166 G N -1.735 107.158 108.800 0.155 0.000 3.013 166 G HA2 0.513 4.473 3.960 -0.000 0.000 0.278 166 G HA3 0.513 4.473 3.960 -0.000 0.000 0.278 166 G C 0.241 175.229 174.900 0.147 0.000 1.353 166 G CA -0.341 44.840 45.100 0.136 0.000 1.043 166 G HN 0.688 nan 8.290 nan 0.000 0.523 167 Y N 0.098 120.252 120.300 -0.243 0.000 2.314 167 Y HA 0.113 4.663 4.550 -0.000 0.000 0.293 167 Y C 1.772 177.695 175.900 0.039 0.000 1.129 167 Y CA 1.125 59.085 58.100 -0.233 0.000 1.201 167 Y CB 0.032 38.286 38.460 -0.342 0.000 0.999 167 Y HN 0.292 nan 8.280 nan 0.000 0.541 168 T N 2.296 116.872 114.554 0.036 0.000 2.889 168 T HA 0.094 4.444 4.350 -0.000 0.000 0.291 168 T C -0.168 174.504 174.700 -0.047 0.000 0.995 168 T CA -0.405 61.675 62.100 -0.033 0.000 1.092 168 T CB 0.352 69.223 68.868 0.006 0.000 0.954 168 T HN 0.290 nan 8.240 nan 0.000 0.506 169 N N 2.029 120.668 118.700 -0.101 0.000 2.725 169 N HA -0.157 4.583 4.740 -0.000 0.000 0.251 169 N C -0.643 174.830 175.510 -0.061 0.000 1.031 169 N CA 0.453 53.451 53.050 -0.087 0.000 0.720 169 N CB -0.787 37.669 38.487 -0.050 0.000 0.930 169 N HN 0.727 nan 8.380 nan 0.000 0.543 170 D N 0.390 120.740 120.400 -0.083 0.000 2.713 170 D HA 0.122 4.762 4.640 -0.000 0.000 0.229 170 D C 1.530 177.815 176.300 -0.024 0.000 1.136 170 D CA 0.217 54.233 54.000 0.027 0.000 1.010 170 D CB 0.045 40.985 40.800 0.233 0.000 1.084 170 D HN 0.367 nan 8.370 nan 0.000 0.495 171 T N -1.080 113.449 114.554 -0.042 0.000 2.962 171 T HA -0.190 4.160 4.350 -0.000 0.000 0.270 171 T C 1.494 176.173 174.700 -0.036 0.000 1.088 171 T CA 0.939 63.009 62.100 -0.050 0.000 1.127 171 T CB -0.131 68.709 68.868 -0.047 0.000 0.883 171 T HN 0.328 nan 8.240 nan 0.000 0.493 172 Q N 0.910 120.694 119.800 -0.028 0.000 2.389 172 Q HA 0.186 4.526 4.340 -0.000 0.000 0.204 172 Q C 0.195 176.167 176.000 -0.046 0.000 0.944 172 Q CA 0.067 55.844 55.803 -0.043 0.000 0.908 172 Q CB -0.157 28.543 28.738 -0.064 0.000 1.002 172 Q HN 0.690 nan 8.270 nan 0.000 0.493 173 N N -0.118 118.577 118.700 -0.009 0.000 2.783 173 N HA -0.177 4.563 4.740 -0.000 0.000 0.247 173 N C 0.221 175.667 175.510 -0.107 0.000 1.089 173 N CA -0.201 52.856 53.050 0.012 0.000 0.690 173 N CB -1.063 37.423 38.487 -0.001 0.000 0.991 173 N HN 0.227 nan 8.380 nan 0.000 0.552 174 L N -1.161 119.944 121.223 -0.197 0.000 2.291 174 L HA 0.072 4.412 4.340 -0.000 0.000 0.214 174 L C 0.410 176.799 176.870 -0.802 0.000 1.120 174 L CA 1.036 55.552 54.840 -0.540 0.000 0.799 174 L CB -0.093 41.525 42.059 -0.736 0.000 0.925 174 L HN 0.149 nan 8.230 nan 0.000 0.446 175 F N -2.594 117.263 119.950 -0.154 0.000 2.598 175 F HA 0.388 4.915 4.527 -0.000 0.000 0.327 175 F C 0.362 175.949 175.800 -0.356 0.000 1.057 175 F CA -1.032 56.823 58.000 -0.241 0.000 0.957 175 F CB 0.788 39.757 39.000 -0.052 0.000 1.278 175 F HN -0.232 nan 8.300 nan 0.000 0.484 176 H N 0.436 119.474 119.070 -0.053 0.000 2.525 176 H HA 0.291 4.847 4.556 -0.000 0.000 0.339 176 H C -0.551 174.581 175.328 -0.327 0.000 1.109 176 H CA -0.347 55.628 56.048 -0.122 0.000 1.352 176 H CB 0.707 30.467 29.762 -0.004 0.000 1.461 176 H HN 0.455 nan 8.280 nan 0.000 0.533 177 H N 2.754 121.926 119.070 0.171 0.000 2.551 177 H HA 0.128 4.684 4.556 -0.000 0.000 0.238 177 H C -0.194 175.144 175.328 0.016 0.000 1.345 177 H CA -0.275 55.803 56.048 0.050 0.000 1.105 177 H CB 0.149 29.854 29.762 -0.096 0.000 1.805 177 H HN 0.652 nan 8.280 nan 0.000 0.553 178 N N 1.722 120.464 118.700 0.071 0.000 2.328 178 N HA 0.146 4.886 4.740 -0.000 0.000 0.247 178 N C 0.553 176.054 175.510 -0.014 0.000 1.165 178 N CA -0.015 53.029 53.050 -0.009 0.000 0.873 178 N CB 1.489 39.926 38.487 -0.084 0.000 1.125 178 N HN 0.373 nan 8.380 nan 0.000 0.513 179 L N -1.563 119.679 121.223 0.032 0.000 7.836 179 L HA -0.245 4.095 4.340 -0.000 0.000 0.064 179 L C 0.695 177.539 176.870 -0.042 0.000 1.275 179 L CA 0.896 55.740 54.840 0.007 0.000 1.424 179 L CB -1.472 40.574 42.059 -0.023 0.000 2.916 179 L HN 0.289 nan 8.230 nan 0.000 1.197 180 G N -0.719 108.033 108.800 -0.080 0.000 2.417 180 G HA2 0.550 4.510 3.960 -0.000 0.000 0.334 180 G HA3 0.550 4.510 3.960 -0.000 0.000 0.334 180 G C -0.682 174.096 174.900 -0.203 0.000 1.150 180 G CA 0.454 45.467 45.100 -0.145 0.000 0.923 180 G HN 0.622 nan 8.290 nan 0.000 0.485 181 T N -1.003 113.343 114.554 -0.346 0.000 2.910 181 T HA 0.305 4.655 4.350 -0.000 0.000 0.293 181 T C 0.638 175.078 174.700 -0.433 0.000 1.015 181 T CA 0.027 61.851 62.100 -0.461 0.000 1.094 181 T CB 0.871 69.286 68.868 -0.755 0.000 0.968 181 T HN 0.573 nan 8.240 nan 0.000 0.521 182 D N 2.170 122.412 120.400 -0.264 0.000 2.440 182 D HA 0.122 4.762 4.640 -0.000 0.000 0.216 182 D C 0.430 176.827 176.300 0.162 0.000 1.150 182 D CA -0.422 53.569 54.000 -0.015 0.000 0.832 182 D CB -0.688 40.114 40.800 0.002 0.000 0.992 182 D HN 0.575 nan 8.370 nan 0.000 0.502 183 F N 0.372 120.267 119.950 -0.093 0.000 3.069 183 F HA -0.320 4.207 4.527 -0.000 0.000 0.285 183 F C 1.882 177.652 175.800 -0.051 0.000 0.827 183 F CA 0.715 58.671 58.000 -0.072 0.000 1.108 183 F CB -2.563 36.394 39.000 -0.072 0.000 1.252 183 F HN 0.194 nan 8.300 nan 0.000 0.483 184 S N -1.626 114.109 115.700 0.058 0.000 2.406 184 S HA 0.070 4.539 4.470 -0.000 0.000 0.228 184 S C 0.966 175.579 174.600 0.022 0.000 1.020 184 S CA 1.145 59.367 58.200 0.036 0.000 0.965 184 S CB -0.001 63.199 63.200 0.001 0.000 0.798 184 S HN 0.703 nan 8.310 nan 0.000 0.488 185 T N -3.462 111.084 114.554 -0.014 0.000 2.864 185 T HA 0.498 4.848 4.350 -0.000 0.000 0.299 185 T C 0.616 175.280 174.700 -0.060 0.000 1.166 185 T CA -0.223 61.867 62.100 -0.017 0.000 1.007 185 T CB 1.216 70.061 68.868 -0.039 0.000 1.219 185 T HN -0.084 nan 8.240 nan 0.000 0.506 186 T N 0.479 115.014 114.554 -0.032 0.000 2.746 186 T HA -0.102 4.248 4.350 -0.000 0.000 0.267 186 T C 1.659 176.195 174.700 -0.274 0.000 1.039 186 T CA 1.877 63.928 62.100 -0.081 0.000 1.142 186 T CB -0.433 68.503 68.868 0.113 0.000 0.866 186 T HN 0.839 nan 8.240 nan 0.000 0.444 187 E N 1.347 121.285 120.200 -0.436 0.000 2.077 187 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 187 E C 2.312 178.722 176.600 -0.316 0.000 0.989 187 E CA 1.095 57.055 56.400 -0.734 0.000 0.800 187 E CB -0.219 28.893 29.700 -0.980 0.000 0.746 187 E HN 0.378 nan 8.360 nan 0.000 0.452 188 N N 0.252 118.812 118.700 -0.232 0.000 2.120 188 N HA -0.127 4.613 4.740 -0.000 0.000 0.188 188 N C 1.919 177.286 175.510 -0.239 0.000 1.024 188 N CA 1.570 54.508 53.050 -0.185 0.000 0.852 188 N CB -0.347 38.047 38.487 -0.155 0.000 1.003 188 N HN 0.272 nan 8.380 nan 0.000 0.424 189 G N 0.297 108.949 108.800 -0.247 0.000 2.534 189 G HA2 -0.015 3.944 3.960 -0.000 0.000 0.217 189 G HA3 -0.015 3.944 3.960 -0.000 0.000 0.217 189 G C 1.687 176.494 174.900 -0.155 0.000 1.128 189 G CA 0.113 45.076 45.100 -0.228 0.000 0.784 189 G HN 0.328 nan 8.290 nan 0.000 0.542 190 I N -1.379 119.010 120.570 -0.301 0.000 2.556 190 I HA 0.083 4.253 4.170 -0.000 0.000 0.251 190 I C 1.466 177.259 176.117 -0.540 0.000 1.105 190 I CA 0.503 61.527 61.300 -0.460 0.000 1.436 190 I CB 0.167 37.716 38.000 -0.752 0.000 1.139 190 I HN 0.067 nan 8.210 nan 0.000 0.438 191 Y N 1.340 121.514 120.300 -0.211 0.000 2.468 191 Y HA 0.262 4.812 4.550 -0.000 0.000 0.268 191 Y C 0.563 176.255 175.900 -0.348 0.000 1.177 191 Y CA -0.079 57.804 58.100 -0.362 0.000 1.265 191 Y CB -0.108 38.127 38.460 -0.374 0.000 1.103 191 Y HN -0.053 nan 8.280 nan 0.000 0.522 192 K N 0.196 120.508 120.400 -0.146 0.000 2.350 192 K HA 0.300 4.620 4.320 -0.000 0.000 0.241 192 K C -0.628 175.875 176.600 -0.161 0.000 0.994 192 K CA -1.213 54.990 56.287 -0.139 0.000 0.839 192 K CB 1.004 33.395 32.500 -0.182 0.000 1.244 192 K HN -0.113 nan 8.250 nan 0.000 0.443 193 N N 1.525 120.138 118.700 -0.144 0.000 2.492 193 N HA -0.004 4.736 4.740 -0.000 0.000 0.260 193 N C -0.590 174.709 175.510 -0.351 0.000 1.215 193 N CA -0.199 52.735 53.050 -0.193 0.000 0.923 193 N CB 0.299 38.684 38.487 -0.170 0.000 1.092 193 N HN 0.312 nan 8.380 nan 0.000 0.448 194 L N 5.547 126.517 121.223 -0.421 0.000 2.385 194 L HA 0.144 4.484 4.340 -0.000 0.000 0.285 194 L C -0.522 176.042 176.870 -0.511 0.000 1.125 194 L CA 0.357 54.779 54.840 -0.696 0.000 0.890 194 L CB -1.313 40.329 42.059 -0.695 0.000 1.251 194 L HN 0.477 nan 8.230 nan 0.000 0.445 195 Y N 1.472 121.640 120.300 -0.219 0.000 2.877 195 Y HA -0.376 4.174 4.550 -0.000 0.000 0.467 195 Y C 1.298 177.095 175.900 -0.171 0.000 1.186 195 Y CA 1.091 59.098 58.100 -0.154 0.000 2.562 195 Y CB -1.430 36.946 38.460 -0.141 0.000 1.217 195 Y HN 0.745 nan 8.280 nan 0.000 0.628 196 D N 1.082 121.507 120.400 0.042 0.000 2.440 196 D HA 0.236 4.875 4.640 -0.000 0.000 0.216 196 D C -0.256 175.950 176.300 -0.157 0.000 1.150 196 D CA 0.104 54.064 54.000 -0.067 0.000 0.832 196 D CB -0.516 40.280 40.800 -0.007 0.000 0.992 196 D HN 0.418 nan 8.370 nan 0.000 0.502 197 L N 1.331 122.446 121.223 -0.180 0.000 2.360 197 L HA 0.403 4.743 4.340 -0.000 0.000 0.276 197 L C 0.785 177.489 176.870 -0.276 0.000 1.121 197 L CA -0.867 53.830 54.840 -0.239 0.000 0.845 197 L CB 0.981 42.826 42.059 -0.357 0.000 1.143 197 L HN -0.000 nan 8.230 nan 0.000 0.452 198 A N 2.778 125.386 122.820 -0.353 0.000 2.496 198 A HA -0.002 4.317 4.320 -0.000 0.000 0.278 198 A C 0.018 177.587 177.584 -0.024 0.000 1.137 198 A CA -0.212 51.513 52.037 -0.519 0.000 0.805 198 A CB -0.468 18.056 19.000 -0.792 0.000 1.077 198 A HN 0.746 nan 8.150 nan 0.000 0.513 199 D N 2.651 123.065 120.400 0.023 0.000 2.358 199 D HA 0.311 4.951 4.640 -0.000 0.000 0.258 199 D C 0.134 176.499 176.300 0.108 0.000 1.223 199 D CA 0.240 54.309 54.000 0.114 0.000 0.886 199 D CB 0.264 41.136 40.800 0.119 0.000 1.120 199 D HN 0.493 nan 8.370 nan 0.000 0.482 200 L N 3.534 124.732 121.223 -0.042 0.000 2.456 200 L HA 0.119 4.459 4.340 -0.000 0.000 0.272 200 L C 0.659 177.041 176.870 -0.813 0.000 1.189 200 L CA -0.269 54.316 54.840 -0.426 0.000 0.846 200 L CB 0.403 42.122 42.059 -0.567 0.000 1.111 200 L HN 0.441 nan 8.230 nan 0.000 0.475 201 N N 0.928 119.116 118.700 -0.854 0.000 2.589 201 N HA 0.118 4.858 4.740 -0.000 0.000 0.232 201 N C 0.424 175.541 175.510 -0.657 0.000 1.015 201 N CA -0.262 52.297 53.050 -0.817 0.000 0.931 201 N CB 0.410 38.575 38.487 -0.538 0.000 1.150 201 N HN 0.415 nan 8.380 nan 0.000 0.512 202 H N 0.909 119.668 119.070 -0.518 0.000 2.559 202 H HA 0.042 4.598 4.556 -0.000 0.000 0.273 202 H C 1.405 176.548 175.328 -0.308 0.000 1.000 202 H CA 0.564 56.206 56.048 -0.676 0.000 1.195 202 H CB 0.239 29.140 29.762 -1.434 0.000 1.368 202 H HN 0.584 nan 8.280 nan 0.000 0.592 203 N N 0.803 119.477 118.700 -0.045 0.000 2.467 203 N HA -0.113 4.627 4.740 -0.000 0.000 0.184 203 N C 0.078 175.596 175.510 0.014 0.000 1.106 203 N CA -0.015 53.072 53.050 0.063 0.000 0.892 203 N CB 0.154 38.715 38.487 0.125 0.000 0.969 203 N HN 0.248 nan 8.380 nan 0.000 0.454 204 N N 1.041 119.698 118.700 -0.073 0.000 2.408 204 N HA 0.043 4.783 4.740 -0.000 0.000 0.257 204 N C 0.388 175.876 175.510 -0.037 0.000 1.064 204 N CA 0.081 53.085 53.050 -0.077 0.000 0.952 204 N CB 1.388 39.778 38.487 -0.163 0.000 1.093 204 N HN -0.053 nan 8.380 nan 0.000 0.490 205 S N 2.497 118.202 115.700 0.008 0.000 2.374 205 S HA -0.155 4.315 4.470 -0.000 0.000 0.227 205 S C 1.589 176.215 174.600 0.044 0.000 1.037 205 S CA 1.880 60.109 58.200 0.047 0.000 1.024 205 S CB -0.117 63.110 63.200 0.045 0.000 0.861 205 S HN 0.728 nan 8.310 nan 0.000 0.456 206 T N 1.787 116.340 114.554 -0.002 0.000 2.708 206 T HA -0.071 4.279 4.350 -0.000 0.000 0.266 206 T C 1.918 176.628 174.700 0.016 0.000 1.037 206 T CA 1.379 63.476 62.100 -0.004 0.000 1.146 206 T CB -0.437 68.391 68.868 -0.067 0.000 0.865 206 T HN 0.221 nan 8.240 nan 0.000 0.435 207 V N 1.713 121.587 119.914 -0.068 0.000 2.358 207 V HA -0.170 3.949 4.120 -0.000 0.000 0.246 207 V C 2.367 178.501 176.094 0.067 0.000 1.047 207 V CA 1.998 64.244 62.300 -0.091 0.000 1.035 207 V CB -0.655 30.967 31.823 -0.336 0.000 0.658 207 V HN 0.503 nan 8.190 nan 0.000 0.452 208 D N 0.222 120.688 120.400 0.111 0.000 2.078 208 D HA -0.162 4.478 4.640 -0.000 0.000 0.193 208 D C 2.011 178.515 176.300 0.339 0.000 0.990 208 D CA 1.798 56.003 54.000 0.341 0.000 0.827 208 D CB -0.133 40.876 40.800 0.349 0.000 0.975 208 D HN 0.182 nan 8.370 nan 0.000 0.451 209 V N -0.013 120.035 119.914 0.224 0.000 2.343 209 V HA -0.224 3.896 4.120 -0.000 0.000 0.247 209 V C 2.155 178.366 176.094 0.194 0.000 1.051 209 V CA 1.869 64.277 62.300 0.179 0.000 1.036 209 V CB -0.954 30.946 31.823 0.128 0.000 0.654 209 V HN 0.330 nan 8.190 nan 0.000 0.451 210 Y N 0.792 121.144 120.300 0.087 0.000 2.070 210 Y HA -0.258 4.292 4.550 -0.000 0.000 0.280 210 Y C 2.247 178.226 175.900 0.132 0.000 1.148 210 Y CA 1.816 59.965 58.100 0.081 0.000 1.125 210 Y CB -0.487 37.991 38.460 0.030 0.000 0.975 210 Y HN 0.130 nan 8.280 nan 0.000 0.492 211 L N 0.068 121.323 121.223 0.053 0.000 2.079 211 L HA -0.257 4.082 4.340 -0.000 0.000 0.210 211 L C 2.442 179.493 176.870 0.302 0.000 1.081 211 L CA 1.844 56.725 54.840 0.069 0.000 0.752 211 L CB -0.518 41.708 42.059 0.278 0.000 0.896 211 L HN 0.208 nan 8.230 nan 0.000 0.433 212 K N -0.462 120.116 120.400 0.298 0.000 2.155 212 K HA -0.131 4.189 4.320 -0.000 0.000 0.203 212 K C 1.662 178.258 176.600 -0.006 0.000 1.052 212 K CA 1.093 57.471 56.287 0.152 0.000 0.948 212 K CB -0.047 32.509 32.500 0.093 0.000 0.728 212 K HN 0.249 nan 8.250 nan 0.000 0.448 213 D N 0.706 121.097 120.400 -0.015 0.000 2.149 213 D HA -0.085 4.555 4.640 -0.000 0.000 0.201 213 D C 1.837 178.096 176.300 -0.068 0.000 0.972 213 D CA 1.029 54.987 54.000 -0.070 0.000 0.835 213 D CB -0.059 40.721 40.800 -0.033 0.000 0.966 213 D HN 0.162 nan 8.370 nan 0.000 0.476 214 A N 0.994 123.775 122.820 -0.065 0.000 1.877 214 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 214 A C 2.224 179.947 177.584 0.233 0.000 1.186 214 A CA 0.980 53.055 52.037 0.063 0.000 0.620 214 A CB -0.687 18.357 19.000 0.073 0.000 0.822 214 A HN 0.199 nan 8.150 nan 0.000 0.443 215 I N -0.418 120.256 120.570 0.174 0.000 2.361 215 I HA -0.180 3.990 4.170 -0.000 0.000 0.251 215 I C 1.990 178.118 176.117 0.019 0.000 1.133 215 I CA 1.404 62.708 61.300 0.008 0.000 1.413 215 I CB -0.183 37.716 38.000 -0.168 0.000 1.073 215 I HN 0.109 nan 8.210 nan 0.000 0.424 216 K N -0.159 120.206 120.400 -0.059 0.000 2.057 216 K HA -0.212 4.108 4.320 -0.000 0.000 0.207 216 K C 2.107 178.701 176.600 -0.011 0.000 1.049 216 K CA 1.888 58.117 56.287 -0.097 0.000 0.931 216 K CB -0.772 31.536 32.500 -0.319 0.000 0.714 216 K HN 0.436 nan 8.250 nan 0.000 0.440 217 M N -0.717 118.831 119.600 -0.086 0.000 2.080 217 M HA -0.190 4.290 4.480 -0.000 0.000 0.260 217 M C 1.673 177.826 176.300 -0.245 0.000 1.068 217 M CA 1.830 57.005 55.300 -0.208 0.000 1.109 217 M CB -0.231 32.146 32.600 -0.372 0.000 1.342 217 M HN 0.157 nan 8.290 nan 0.000 0.405 218 W N 0.417 121.710 121.300 -0.011 0.000 2.436 218 W HA -0.052 4.608 4.660 0.000 0.000 0.284 218 W C 2.014 178.568 176.519 0.058 0.000 1.225 218 W CA 0.530 57.868 57.345 -0.011 0.000 1.271 218 W CB -0.411 29.014 29.460 -0.060 0.000 1.114 218 W HN 0.194 nan 8.180 nan 0.000 0.559 219 L N -0.108 121.254 121.223 0.232 0.000 2.093 219 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 219 L C 1.876 178.853 176.870 0.177 0.000 1.085 219 L CA 1.123 56.085 54.840 0.202 0.000 0.755 219 L CB -0.688 41.501 42.059 0.217 0.000 0.904 219 L HN -0.096 nan 8.230 nan 0.000 0.435 220 D N 0.085 120.580 120.400 0.158 0.000 2.264 220 D HA -0.099 4.541 4.640 -0.000 0.000 0.208 220 D C 2.178 178.534 176.300 0.094 0.000 0.966 220 D CA 0.991 55.060 54.000 0.115 0.000 0.864 220 D CB 0.060 40.913 40.800 0.088 0.000 0.933 220 D HN 0.314 nan 8.370 nan 0.000 0.499 221 L N -0.560 120.735 121.223 0.119 0.000 2.610 221 L HA 0.110 4.450 4.340 -0.000 0.000 0.232 221 L C 1.407 178.404 176.870 0.211 0.000 1.149 221 L CA 0.469 55.413 54.840 0.174 0.000 0.872 221 L CB -0.031 42.182 42.059 0.256 0.000 0.992 221 L HN 0.122 nan 8.230 nan 0.000 0.447 222 G N 0.984 109.903 108.800 0.198 0.000 2.144 222 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 222 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 222 G C 0.402 175.448 174.900 0.243 0.000 0.988 222 G CA 0.086 45.304 45.100 0.197 0.000 0.659 222 G HN 0.415 nan 8.290 nan 0.000 0.522 223 I N -2.236 118.501 120.570 0.278 0.000 2.892 223 I HA 0.393 4.562 4.170 -0.000 0.000 0.287 223 I C 0.582 176.858 176.117 0.264 0.000 1.205 223 I CA 0.164 61.632 61.300 0.279 0.000 1.409 223 I CB 0.562 38.745 38.000 0.305 0.000 1.367 223 I HN -0.070 nan 8.210 nan 0.000 0.597 224 D N 3.438 124.022 120.400 0.307 0.000 2.407 224 D HA 0.266 4.906 4.640 -0.000 0.000 0.208 224 D C 0.614 177.184 176.300 0.449 0.000 1.083 224 D CA 0.351 54.569 54.000 0.362 0.000 0.844 224 D CB 1.222 42.254 40.800 0.388 0.000 0.967 224 D HN 0.853 nan 8.370 nan 0.000 0.506 225 G N 0.311 109.292 108.800 0.301 0.000 2.623 225 G HA2 0.592 4.552 3.960 -0.000 0.000 0.290 225 G HA3 0.592 4.552 3.960 -0.000 0.000 0.290 225 G C -1.735 173.183 174.900 0.030 0.000 1.437 225 G CA -0.662 44.525 45.100 0.144 0.000 0.798 225 G HN -0.007 nan 8.290 nan 0.000 0.488 226 I N 0.413 120.918 120.570 -0.108 0.000 2.569 226 I HA 0.484 4.654 4.170 -0.000 0.000 0.290 226 I C -0.511 175.280 176.117 -0.544 0.000 1.088 226 I CA -0.956 60.224 61.300 -0.201 0.000 1.047 226 I CB 2.464 40.401 38.000 -0.105 0.000 1.237 226 I HN 0.222 nan 8.210 nan 0.000 0.421 227 R N 7.266 127.387 120.500 -0.631 0.000 2.275 227 R HA 0.453 4.793 4.340 -0.000 0.000 0.326 227 R C -1.032 175.039 176.300 -0.382 0.000 0.973 227 R CA -0.759 54.704 56.100 -1.061 0.000 0.854 227 R CB 0.976 30.471 30.300 -1.340 0.000 1.156 227 R HN 0.560 nan 8.270 nan 0.000 0.487 228 M N 2.640 122.079 119.600 -0.269 0.000 2.188 228 M HA 0.091 4.571 4.480 -0.000 0.000 0.354 228 M C 0.093 176.439 176.300 0.077 0.000 1.342 228 M CA -0.347 54.958 55.300 0.007 0.000 1.117 228 M CB 0.547 33.186 32.600 0.065 0.000 1.670 228 M HN 0.386 nan 8.290 nan 0.000 0.466 229 D N 2.554 123.049 120.400 0.159 0.000 2.302 229 D HA 0.455 5.095 4.640 -0.000 0.000 0.248 229 D C 0.223 176.636 176.300 0.188 0.000 1.094 229 D CA 0.191 54.325 54.000 0.223 0.000 0.897 229 D CB 0.849 41.837 40.800 0.314 0.000 1.200 229 D HN 0.833 nan 8.370 nan 0.000 0.429 230 A N 2.595 125.532 122.820 0.195 0.000 2.364 230 A HA -0.164 4.156 4.320 -0.000 0.000 0.288 230 A C 1.443 179.081 177.584 0.090 0.000 1.433 230 A CA 0.976 53.130 52.037 0.194 0.000 0.757 230 A CB -2.152 17.015 19.000 0.279 0.000 1.098 230 A HN 1.059 nan 8.150 nan 0.000 0.380 231 V N -1.461 118.463 119.914 0.018 0.000 2.970 231 V HA -0.085 4.035 4.120 -0.000 0.000 0.260 231 V C 1.836 177.767 176.094 -0.271 0.000 1.100 231 V CA 2.327 64.603 62.300 -0.040 0.000 1.122 231 V CB -0.535 31.293 31.823 0.009 0.000 0.721 231 V HN 0.700 nan 8.190 nan 0.000 0.483 232 K N -0.673 119.383 120.400 -0.573 0.000 2.486 232 K HA -0.046 4.274 4.320 -0.000 0.000 0.194 232 K C 1.303 177.431 176.600 -0.787 0.000 1.033 232 K CA 0.683 56.349 56.287 -1.035 0.000 1.004 232 K CB -0.081 31.360 32.500 -1.764 0.000 0.798 232 K HN 0.678 nan 8.250 nan 0.000 0.495 233 H N -0.591 118.338 119.070 -0.235 0.000 2.592 233 H HA 0.252 4.808 4.556 -0.000 0.000 0.279 233 H C -0.182 175.030 175.328 -0.194 0.000 1.089 233 H CA 0.042 55.951 56.048 -0.231 0.000 1.150 233 H CB 0.260 29.904 29.762 -0.198 0.000 1.575 233 H HN 0.125 nan 8.280 nan 0.000 0.547 234 M N 0.677 120.233 119.600 -0.073 0.000 2.591 234 M HA 0.361 4.841 4.480 -0.000 0.000 0.306 234 M C -2.642 173.605 176.300 -0.089 0.000 1.190 234 M CA -1.963 53.290 55.300 -0.079 0.000 0.889 234 M CB 2.749 35.344 32.600 -0.009 0.000 1.728 234 M HN -0.238 nan 8.290 nan 0.000 0.458 235 P HA -0.007 nan 4.420 nan 0.000 0.262 235 P C -0.092 177.347 177.300 0.231 0.000 1.199 235 P CA 0.133 63.197 63.100 -0.061 0.000 0.763 235 P CB 0.085 31.847 31.700 0.105 0.000 0.790 236 F N 2.549 122.646 119.950 0.244 0.000 2.161 236 F HA -0.090 4.437 4.527 -0.000 0.000 0.300 236 F C 2.446 178.406 175.800 0.267 0.000 1.089 236 F CA 1.568 59.812 58.000 0.407 0.000 1.282 236 F CB -2.072 37.236 39.000 0.513 0.000 1.010 236 F HN 0.350 nan 8.300 nan 0.000 0.485 237 G N -1.287 107.721 108.800 0.346 0.000 2.402 237 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.216 237 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.216 237 G C 1.566 176.608 174.900 0.236 0.000 1.162 237 G CA 0.578 45.832 45.100 0.257 0.000 0.777 237 G HN 0.483 nan 8.290 nan 0.000 0.539 238 W N 1.382 122.758 121.300 0.126 0.000 2.388 238 W HA -0.036 4.624 4.660 -0.000 0.000 0.294 238 W C 2.741 179.342 176.519 0.135 0.000 1.212 238 W CA 1.536 58.947 57.345 0.110 0.000 1.271 238 W CB -0.045 29.438 29.460 0.038 0.000 1.126 238 W HN 0.279 nan 8.180 nan 0.000 0.535 239 Q N 0.236 120.103 119.800 0.111 0.000 2.170 239 Q HA -0.248 4.092 4.340 -0.000 0.000 0.203 239 Q C 2.172 178.136 176.000 -0.060 0.000 0.976 239 Q CA 1.753 57.544 55.803 -0.020 0.000 0.858 239 Q CB -0.432 28.502 28.738 0.328 0.000 0.907 239 Q HN 0.364 nan 8.270 nan 0.000 0.433 240 K N 0.851 121.241 120.400 -0.016 0.000 2.057 240 K HA -0.151 4.169 4.320 -0.000 0.000 0.206 240 K C 2.293 178.831 176.600 -0.102 0.000 1.050 240 K CA 1.580 57.833 56.287 -0.055 0.000 0.935 240 K CB -0.049 32.446 32.500 -0.009 0.000 0.715 240 K HN 0.188 nan 8.250 nan 0.000 0.439 241 S N -0.075 115.536 115.700 -0.147 0.000 2.402 241 S HA -0.156 4.314 4.470 -0.000 0.000 0.229 241 S C 1.879 176.319 174.600 -0.267 0.000 1.021 241 S CA 0.675 58.770 58.200 -0.175 0.000 0.974 241 S CB -0.574 62.537 63.200 -0.147 0.000 0.800 241 S HN 0.428 nan 8.310 nan 0.000 0.484 242 F N 2.160 121.748 119.950 -0.603 0.000 2.113 242 F HA 0.092 4.619 4.527 -0.000 0.000 0.297 242 F C 2.294 177.923 175.800 -0.285 0.000 1.103 242 F CA 1.371 59.029 58.000 -0.571 0.000 1.248 242 F CB -0.288 38.188 39.000 -0.873 0.000 0.999 242 F HN 0.096 nan 8.300 nan 0.000 0.475 243 M N 0.383 119.902 119.600 -0.134 0.000 2.213 243 M HA -0.096 4.384 4.480 -0.000 0.000 0.263 243 M C 2.455 178.649 176.300 -0.176 0.000 1.062 243 M CA 1.440 56.655 55.300 -0.141 0.000 1.105 243 M CB -2.011 30.553 32.600 -0.060 0.000 1.385 243 M HN 0.326 nan 8.290 nan 0.000 0.417 244 A N 0.016 122.739 122.820 -0.161 0.000 1.930 244 A HA 0.061 4.381 4.320 -0.000 0.000 0.217 244 A C 2.432 179.934 177.584 -0.137 0.000 1.175 244 A CA 1.838 53.802 52.037 -0.121 0.000 0.627 244 A CB -0.809 18.136 19.000 -0.093 0.000 0.815 244 A HN 0.453 nan 8.150 nan 0.000 0.443 245 A N -0.527 122.163 122.820 -0.216 0.000 1.902 245 A HA 0.012 4.332 4.320 -0.000 0.000 0.217 245 A C 2.231 179.692 177.584 -0.205 0.000 1.181 245 A CA 1.798 53.703 52.037 -0.220 0.000 0.623 245 A CB -0.841 17.972 19.000 -0.312 0.000 0.818 245 A HN 0.352 nan 8.150 nan 0.000 0.443 246 V N 0.936 120.664 119.914 -0.311 0.000 2.270 246 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 246 V C 2.207 178.269 176.094 -0.054 0.000 1.043 246 V CA 2.125 64.301 62.300 -0.207 0.000 1.014 246 V CB -0.922 30.726 31.823 -0.291 0.000 0.645 246 V HN 0.554 nan 8.190 nan 0.000 0.447 247 N N 0.830 119.492 118.700 -0.064 0.000 2.244 247 N HA -0.095 4.645 4.740 -0.000 0.000 0.183 247 N C 1.389 176.905 175.510 0.010 0.000 1.016 247 N CA 0.964 54.007 53.050 -0.012 0.000 0.866 247 N CB -0.500 37.979 38.487 -0.014 0.000 0.980 247 N HN 0.456 nan 8.380 nan 0.000 0.430 248 N N -0.346 118.359 118.700 0.008 0.000 2.461 248 N HA -0.052 4.688 4.740 -0.000 0.000 0.188 248 N C 0.621 176.187 175.510 0.094 0.000 1.134 248 N CA 0.183 53.252 53.050 0.031 0.000 0.878 248 N CB 0.258 38.752 38.487 0.011 0.000 0.972 248 N HN 0.371 nan 8.380 nan 0.000 0.456 249 Y N 0.751 121.018 120.300 -0.056 0.000 3.127 249 Y HA 0.343 4.893 4.550 -0.000 0.000 0.196 249 Y C -0.455 175.427 175.900 -0.029 0.000 0.920 249 Y CA 0.433 58.505 58.100 -0.047 0.000 1.664 249 Y CB 0.631 39.050 38.460 -0.069 0.000 1.399 249 Y HN -0.333 nan 8.280 nan 0.000 0.435 250 K N 2.686 123.016 120.400 -0.116 0.000 2.675 250 K HA 0.314 4.634 4.320 -0.000 0.000 0.224 250 K C -2.912 173.680 176.600 -0.014 0.000 1.003 250 K CA -2.094 54.093 56.287 -0.166 0.000 1.034 250 K CB 1.794 34.144 32.500 -0.250 0.000 1.218 250 K HN 0.087 nan 8.250 nan 0.000 0.507 251 P HA 0.022 nan 4.420 nan 0.000 0.271 251 P C -0.392 176.960 177.300 0.086 0.000 1.220 251 P CA -0.255 62.872 63.100 0.044 0.000 0.768 251 P CB 1.062 32.797 31.700 0.059 0.000 0.848 252 V N 1.344 121.322 119.914 0.107 0.000 2.971 252 V HA 0.477 4.597 4.120 -0.000 0.000 0.309 252 V C -0.407 175.811 176.094 0.207 0.000 1.130 252 V CA -1.436 60.973 62.300 0.182 0.000 0.964 252 V CB 1.660 33.581 31.823 0.164 0.000 1.029 252 V HN 0.327 nan 8.190 nan 0.000 0.427 253 F N 2.887 122.919 119.950 0.136 0.000 2.612 253 F HA 0.480 5.007 4.527 -0.000 0.000 0.389 253 F C 0.493 176.297 175.800 0.006 0.000 1.055 253 F CA 1.178 59.212 58.000 0.056 0.000 1.232 253 F CB 0.171 39.123 39.000 -0.079 0.000 1.044 253 F HN 0.802 nan 8.300 nan 0.000 0.560 254 T N 8.233 122.474 114.554 -0.522 0.000 2.881 254 T HA 0.576 4.926 4.350 -0.000 0.000 0.290 254 T C -1.252 173.192 174.700 -0.427 0.000 1.000 254 T CA -0.309 61.554 62.100 -0.395 0.000 0.978 254 T CB 0.869 69.642 68.868 -0.158 0.000 0.997 254 T HN 0.393 nan 8.240 nan 0.000 0.443 255 F N -0.136 119.496 119.950 -0.530 0.000 2.569 255 F HA 0.896 5.423 4.527 -0.000 0.000 0.312 255 F C -0.004 175.716 175.800 -0.134 0.000 1.109 255 F CA -1.490 56.303 58.000 -0.346 0.000 0.919 255 F CB 0.975 39.731 39.000 -0.406 0.000 1.211 255 F HN 0.687 nan 8.300 nan 0.000 0.446 256 G N 0.713 109.574 108.800 0.101 0.000 2.489 256 G HA2 0.480 4.440 3.960 -0.000 0.000 0.327 256 G HA3 0.480 4.440 3.960 -0.000 0.000 0.327 256 G C -1.761 173.284 174.900 0.241 0.000 1.189 256 G CA -0.864 44.308 45.100 0.120 0.000 0.962 256 G HN 0.897 nan 8.290 nan 0.000 0.486 257 E N 0.488 120.833 120.200 0.242 0.000 2.081 257 E HA 0.149 4.499 4.350 -0.000 0.000 0.281 257 E C -1.290 175.493 176.600 0.306 0.000 0.986 257 E CA -0.806 55.817 56.400 0.371 0.000 0.796 257 E CB 0.902 30.832 29.700 0.383 0.000 1.085 257 E HN 0.468 nan 8.360 nan 0.000 0.398 258 W N 8.302 129.670 121.300 0.113 0.000 2.485 258 W HA 0.244 4.903 4.660 -0.000 0.000 0.297 258 W C -1.625 174.751 176.519 -0.238 0.000 0.999 258 W CA -1.466 55.847 57.345 -0.053 0.000 1.512 258 W CB 0.092 29.513 29.460 -0.064 0.000 1.322 258 W HN 0.469 nan 8.180 nan 0.000 0.419 259 F N 5.433 125.160 119.950 -0.373 0.000 2.608 259 F HA 0.221 4.748 4.527 -0.000 0.000 0.380 259 F C -0.430 175.166 175.800 -0.340 0.000 1.083 259 F CA 0.860 58.308 58.000 -0.920 0.000 1.266 259 F CB 0.582 39.239 39.000 -0.573 0.000 1.076 259 F HN 0.162 nan 8.300 nan 0.000 0.574 260 L N 5.714 126.609 121.223 -0.548 0.000 2.386 260 L HA 0.549 4.889 4.340 -0.000 0.000 0.271 260 L C 0.438 177.331 176.870 0.039 0.000 0.993 260 L CA -0.867 53.996 54.840 0.038 0.000 0.819 260 L CB 1.754 43.904 42.059 0.152 0.000 1.294 260 L HN 0.746 nan 8.230 nan 0.000 0.414 261 G N 1.385 110.338 108.800 0.255 0.000 2.557 261 G HA2 0.475 4.435 3.960 -0.000 0.000 0.292 261 G HA3 0.475 4.435 3.960 -0.000 0.000 0.292 261 G C -0.226 174.776 174.900 0.170 0.000 1.237 261 G CA -0.588 44.682 45.100 0.284 0.000 0.978 261 G HN 0.279 nan 8.290 nan 0.000 0.498 262 V N 1.802 121.805 119.914 0.147 0.000 2.694 262 V HA -0.014 4.106 4.120 -0.000 0.000 0.306 262 V C 0.952 177.096 176.094 0.084 0.000 1.054 262 V CA 0.551 62.911 62.300 0.099 0.000 1.161 262 V CB 0.685 32.553 31.823 0.076 0.000 0.916 262 V HN 0.942 nan 8.190 nan 0.000 0.490 263 N N 1.410 120.152 118.700 0.071 0.000 2.863 263 N HA -0.198 4.542 4.740 -0.000 0.000 0.245 263 N C 0.429 175.983 175.510 0.073 0.000 1.001 263 N CA 1.538 54.625 53.050 0.062 0.000 0.901 263 N CB -0.596 37.920 38.487 0.048 0.000 1.124 263 N HN 0.994 nan 8.380 nan 0.000 0.582 264 E N 1.204 121.460 120.200 0.094 0.000 2.130 264 E HA 0.373 4.723 4.350 -0.000 0.000 0.284 264 E C -0.811 175.846 176.600 0.096 0.000 1.018 264 E CA -0.378 56.081 56.400 0.099 0.000 0.817 264 E CB 0.798 30.575 29.700 0.127 0.000 1.078 264 E HN 0.005 nan 8.360 nan 0.000 0.396 265 V N 4.370 124.324 119.914 0.066 0.000 2.350 265 V HA 0.237 4.357 4.120 -0.000 0.000 0.285 265 V C -0.234 175.818 176.094 -0.070 0.000 1.014 265 V CA -0.663 61.663 62.300 0.044 0.000 0.831 265 V CB 1.409 33.279 31.823 0.078 0.000 1.000 265 V HN 0.634 nan 8.190 nan 0.000 0.433 266 S N 6.369 121.932 115.700 -0.230 0.000 2.474 266 S HA 0.497 4.967 4.470 -0.000 0.000 0.321 266 S C -1.729 172.445 174.600 -0.710 0.000 1.080 266 S CA -1.502 56.510 58.200 -0.314 0.000 1.106 266 S CB 1.862 64.974 63.200 -0.148 0.000 0.984 266 S HN 0.491 nan 8.310 nan 0.000 0.464 267 P HA -0.047 nan 4.420 nan 0.000 0.217 267 P C 1.077 178.222 177.300 -0.258 0.000 1.150 267 P CA 0.914 63.807 63.100 -0.346 0.000 0.832 267 P CB 0.219 31.862 31.700 -0.096 0.000 0.787 268 E N -0.765 119.337 120.200 -0.163 0.000 2.106 268 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 268 E C 1.942 178.249 176.600 -0.489 0.000 0.984 268 E CA 1.017 57.368 56.400 -0.081 0.000 0.806 268 E CB -0.482 29.372 29.700 0.257 0.000 0.750 268 E HN 0.263 nan 8.360 nan 0.000 0.458 269 N N 0.118 118.279 118.700 -0.899 0.000 2.069 269 N HA -0.202 4.538 4.740 -0.000 0.000 0.191 269 N C 1.695 176.936 175.510 -0.448 0.000 1.031 269 N CA 1.576 53.817 53.050 -1.348 0.000 0.852 269 N CB -0.046 37.756 38.487 -1.142 0.000 1.018 269 N HN 0.266 nan 8.380 nan 0.000 0.423 270 H N -0.403 118.464 119.070 -0.337 0.000 2.321 270 H HA -0.101 4.455 4.556 -0.000 0.000 0.300 270 H C 2.051 177.304 175.328 -0.124 0.000 1.087 270 H CA 1.213 57.092 56.048 -0.282 0.000 1.319 270 H CB -0.052 29.479 29.762 -0.386 0.000 1.379 270 H HN 0.226 nan 8.280 nan 0.000 0.501 271 K N 0.713 121.116 120.400 0.005 0.000 2.103 271 K HA -0.198 4.121 4.320 -0.000 0.000 0.207 271 K C 2.025 178.630 176.600 0.009 0.000 1.048 271 K CA 1.374 57.670 56.287 0.015 0.000 0.930 271 K CB -0.171 32.349 32.500 0.033 0.000 0.716 271 K HN 0.164 nan 8.250 nan 0.000 0.444 272 F N 1.086 120.919 119.950 -0.195 0.000 2.102 272 F HA -0.139 4.388 4.527 -0.000 0.000 0.298 272 F C 2.057 177.821 175.800 -0.059 0.000 1.105 272 F CA 1.626 59.509 58.000 -0.195 0.000 1.239 272 F CB -0.416 38.368 39.000 -0.359 0.000 0.991 272 F HN 0.088 nan 8.300 nan 0.000 0.474 273 A N 0.190 123.091 122.820 0.135 0.000 1.972 273 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 273 A C 1.865 179.476 177.584 0.045 0.000 1.169 273 A CA 1.828 53.946 52.037 0.135 0.000 0.635 273 A CB -0.756 18.441 19.000 0.328 0.000 0.810 273 A HN 0.516 nan 8.150 nan 0.000 0.446 274 N N -0.450 118.276 118.700 0.044 0.000 2.446 274 N HA -0.008 4.732 4.740 -0.000 0.000 0.179 274 N C 0.940 176.425 175.510 -0.041 0.000 1.054 274 N CA 1.095 54.156 53.050 0.017 0.000 0.905 274 N CB 0.084 38.586 38.487 0.024 0.000 0.973 274 N HN 0.708 nan 8.380 nan 0.000 0.448 275 E N -1.063 119.078 120.200 -0.098 0.000 2.639 275 E HA 0.089 4.439 4.350 -0.000 0.000 0.225 275 E C 1.193 177.682 176.600 -0.185 0.000 0.921 275 E CA -0.003 56.332 56.400 -0.109 0.000 1.184 275 E CB 0.460 30.128 29.700 -0.052 0.000 1.160 275 E HN 0.202 nan 8.360 nan 0.000 0.547 276 S N -0.277 115.203 115.700 -0.367 0.000 2.414 276 S HA 0.091 4.561 4.470 -0.000 0.000 0.227 276 S C 1.759 176.190 174.600 -0.282 0.000 1.022 276 S CA 0.885 58.797 58.200 -0.481 0.000 0.958 276 S CB 0.285 62.729 63.200 -1.260 0.000 0.797 276 S HN 0.314 nan 8.310 nan 0.000 0.493 277 G N 1.132 109.800 108.800 -0.220 0.000 2.192 277 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.193 277 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.193 277 G C -0.140 174.699 174.900 -0.101 0.000 0.999 277 G CA 0.011 45.031 45.100 -0.133 0.000 0.659 277 G HN 0.962 nan 8.290 nan 0.000 0.503 278 M N -0.138 119.384 119.600 -0.131 0.000 2.593 278 M HA 0.827 5.307 4.480 -0.000 0.000 0.290 278 M C 0.248 176.527 176.300 -0.035 0.000 1.244 278 M CA -0.284 54.970 55.300 -0.078 0.000 0.857 278 M CB 1.929 34.518 32.600 -0.019 0.000 1.738 278 M HN 0.525 nan 8.290 nan 0.000 0.461 279 S N 1.771 117.453 115.700 -0.029 0.000 2.623 279 S HA 0.882 5.352 4.470 -0.000 0.000 0.278 279 S C -0.328 174.356 174.600 0.140 0.000 1.148 279 S CA -0.819 57.405 58.200 0.040 0.000 1.028 279 S CB 0.858 64.071 63.200 0.022 0.000 1.145 279 S HN 0.757 nan 8.310 nan 0.000 0.523 280 L N -0.477 120.827 121.223 0.134 0.000 2.359 280 L HA 0.494 4.834 4.340 -0.000 0.000 0.256 280 L C -0.970 176.038 176.870 0.231 0.000 1.026 280 L CA -1.038 53.947 54.840 0.243 0.000 0.828 280 L CB 1.571 43.795 42.059 0.275 0.000 1.406 280 L HN 0.546 nan 8.230 nan 0.000 0.413 281 L N 1.332 122.779 121.223 0.374 0.000 2.410 281 L HA 0.077 4.417 4.340 -0.000 0.000 0.273 281 L C 0.143 177.267 176.870 0.424 0.000 1.144 281 L CA 0.024 55.091 54.840 0.378 0.000 0.863 281 L CB 0.247 42.529 42.059 0.372 0.000 1.140 281 L HN 0.507 nan 8.230 nan 0.000 0.463 282 D N 3.212 123.782 120.400 0.283 0.000 2.600 282 D HA 0.010 4.650 4.640 -0.000 0.000 0.226 282 D C 0.927 177.279 176.300 0.086 0.000 1.119 282 D CA 0.143 54.222 54.000 0.131 0.000 1.051 282 D CB 0.165 40.917 40.800 -0.080 0.000 1.106 282 D HN 0.293 nan 8.370 nan 0.000 0.491 283 F N 0.949 121.019 119.950 0.201 0.000 2.234 283 F HA -0.064 4.463 4.527 -0.000 0.000 0.299 283 F C 2.544 178.355 175.800 0.018 0.000 1.087 283 F CA 0.678 58.721 58.000 0.071 0.000 1.340 283 F CB -0.063 38.961 39.000 0.041 0.000 1.031 283 F HN 0.254 nan 8.300 nan 0.000 0.500 284 R N -0.348 120.324 120.500 0.287 0.000 2.091 284 R HA -0.231 4.109 4.340 -0.000 0.000 0.238 284 R C 2.293 178.699 176.300 0.176 0.000 1.136 284 R CA 1.768 58.007 56.100 0.231 0.000 0.959 284 R CB -0.656 29.824 30.300 0.299 0.000 0.856 284 R HN 0.306 nan 8.270 nan 0.000 0.437 285 F N 0.867 120.819 119.950 0.004 0.000 2.084 285 F HA -0.040 4.487 4.527 -0.000 0.000 0.296 285 F C 2.144 177.876 175.800 -0.113 0.000 1.111 285 F CA 1.461 59.444 58.000 -0.028 0.000 1.224 285 F CB -0.608 38.354 39.000 -0.063 0.000 0.991 285 F HN 0.103 nan 8.300 nan 0.000 0.471 286 A N 0.277 123.079 122.820 -0.029 0.000 1.883 286 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 286 A C 2.154 179.676 177.584 -0.102 0.000 1.186 286 A CA 1.847 53.705 52.037 -0.298 0.000 0.624 286 A CB -0.895 17.404 19.000 -1.170 0.000 0.822 286 A HN 0.533 nan 8.150 nan 0.000 0.444 287 Q N -0.579 119.196 119.800 -0.042 0.000 2.084 287 Q HA -0.190 4.150 4.340 -0.000 0.000 0.202 287 Q C 2.078 178.084 176.000 0.011 0.000 0.978 287 Q CA 1.881 57.702 55.803 0.030 0.000 0.844 287 Q CB -0.383 28.401 28.738 0.075 0.000 0.898 287 Q HN 0.635 nan 8.270 nan 0.000 0.426 288 K N 0.728 121.112 120.400 -0.026 0.000 2.057 288 K HA -0.060 4.260 4.320 -0.000 0.000 0.206 288 K C 1.985 178.531 176.600 -0.089 0.000 1.050 288 K CA 0.774 57.021 56.287 -0.066 0.000 0.935 288 K CB -0.373 32.069 32.500 -0.097 0.000 0.715 288 K HN -0.013 nan 8.250 nan 0.000 0.439 289 V N 1.132 120.988 119.914 -0.096 0.000 2.407 289 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 289 V C 2.309 178.560 176.094 0.262 0.000 1.055 289 V CA 2.067 64.400 62.300 0.055 0.000 1.049 289 V CB -0.437 31.407 31.823 0.034 0.000 0.662 289 V HN 0.318 nan 8.190 nan 0.000 0.455 290 R N -0.559 120.058 120.500 0.195 0.000 2.092 290 R HA -0.151 4.189 4.340 -0.000 0.000 0.231 290 R C 2.416 178.737 176.300 0.036 0.000 1.119 290 R CA 1.378 57.574 56.100 0.160 0.000 0.970 290 R CB -0.313 30.038 30.300 0.085 0.000 0.864 290 R HN 0.588 nan 8.270 nan 0.000 0.440 291 Q N 0.051 119.854 119.800 0.005 0.000 2.084 291 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 291 Q C 2.155 178.105 176.000 -0.084 0.000 0.978 291 Q CA 1.574 57.354 55.803 -0.038 0.000 0.844 291 Q CB 0.106 28.820 28.738 -0.040 0.000 0.898 291 Q HN 0.197 nan 8.270 nan 0.000 0.426 292 V N -0.668 119.160 119.914 -0.142 0.000 2.446 292 V HA -0.140 3.980 4.120 -0.000 0.000 0.244 292 V C 1.459 177.310 176.094 -0.405 0.000 1.039 292 V CA 1.494 63.588 62.300 -0.343 0.000 1.045 292 V CB -0.281 31.186 31.823 -0.593 0.000 0.681 292 V HN 0.238 nan 8.190 nan 0.000 0.459 293 F N -0.652 119.302 119.950 0.006 0.000 2.656 293 F HA 0.264 4.791 4.527 -0.000 0.000 0.291 293 F C 2.334 178.215 175.800 0.135 0.000 1.122 293 F CA 0.613 58.681 58.000 0.114 0.000 1.427 293 F CB 0.039 39.173 39.000 0.223 0.000 1.125 293 F HN -0.089 nan 8.300 nan 0.000 0.583 294 R N 0.060 120.631 120.500 0.120 0.000 2.119 294 R HA 0.054 4.394 4.340 -0.000 0.000 0.202 294 R C 0.836 177.050 176.300 -0.145 0.000 1.114 294 R CA 0.891 56.863 56.100 -0.213 0.000 1.089 294 R CB 0.123 29.948 30.300 -0.792 0.000 1.000 294 R HN 0.010 nan 8.270 nan 0.000 0.487 295 D N 0.302 120.635 120.400 -0.110 0.000 2.349 295 D HA -0.013 4.627 4.640 -0.000 0.000 0.214 295 D C -0.280 175.987 176.300 -0.055 0.000 1.063 295 D CA 0.123 54.075 54.000 -0.080 0.000 0.847 295 D CB 0.061 40.820 40.800 -0.070 0.000 0.933 295 D HN 0.197 nan 8.370 nan 0.000 0.513 296 N N 1.028 119.694 118.700 -0.057 0.000 2.725 296 N HA -0.188 4.551 4.740 -0.000 0.000 0.251 296 N C 0.277 175.759 175.510 -0.047 0.000 1.031 296 N CA 1.182 54.198 53.050 -0.056 0.000 0.720 296 N CB -1.370 37.093 38.487 -0.039 0.000 0.930 296 N HN 0.245 nan 8.380 nan 0.000 0.543 297 T N -4.300 110.224 114.554 -0.049 0.000 3.085 297 T HA 0.324 4.674 4.350 -0.000 0.000 0.264 297 T C 0.006 174.685 174.700 -0.036 0.000 1.019 297 T CA -0.055 62.025 62.100 -0.035 0.000 0.910 297 T CB 0.622 69.475 68.868 -0.024 0.000 1.059 297 T HN 0.263 nan 8.240 nan 0.000 0.542 298 D N 0.863 121.229 120.400 -0.058 0.000 2.653 298 D HA 0.336 4.976 4.640 -0.000 0.000 0.258 298 D C -1.446 174.796 176.300 -0.095 0.000 1.252 298 D CA -0.481 53.484 54.000 -0.057 0.000 0.777 298 D CB 1.866 42.632 40.800 -0.056 0.000 1.339 298 D HN 0.303 nan 8.370 nan 0.000 0.422 299 N N 0.089 118.748 118.700 -0.068 0.000 2.813 299 N HA 0.289 5.029 4.740 -0.000 0.000 0.320 299 N C 1.026 176.435 175.510 -0.167 0.000 1.315 299 N CA -0.513 52.473 53.050 -0.106 0.000 0.871 299 N CB 0.265 38.750 38.487 -0.002 0.000 1.241 299 N HN 0.176 nan 8.380 nan 0.000 0.602 300 M N -0.931 118.521 119.600 -0.246 0.000 2.358 300 M HA -0.049 4.431 4.480 -0.000 0.000 0.264 300 M C 1.001 177.135 176.300 -0.277 0.000 1.064 300 M CA 1.386 56.499 55.300 -0.312 0.000 1.093 300 M CB -1.330 31.066 32.600 -0.339 0.000 1.401 300 M HN 0.521 nan 8.290 nan 0.000 0.440 301 Y N -0.069 120.191 120.300 -0.067 0.000 2.293 301 Y HA -0.028 4.522 4.550 -0.000 0.000 0.291 301 Y C 2.606 178.476 175.900 -0.051 0.000 1.137 301 Y CA 1.385 59.457 58.100 -0.047 0.000 1.202 301 Y CB -1.225 37.209 38.460 -0.043 0.000 0.990 301 Y HN 0.294 nan 8.280 nan 0.000 0.537 302 G N -0.570 108.269 108.800 0.065 0.000 2.421 302 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.217 302 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.217 302 G C 1.614 176.491 174.900 -0.039 0.000 1.143 302 G CA 0.692 45.799 45.100 0.010 0.000 0.784 302 G HN 0.318 nan 8.290 nan 0.000 0.541 303 L N 0.707 121.866 121.223 -0.107 0.000 2.056 303 L HA 0.128 4.468 4.340 -0.000 0.000 0.207 303 L C 2.672 179.504 176.870 -0.064 0.000 1.078 303 L CA 2.186 56.934 54.840 -0.154 0.000 0.749 303 L CB -0.396 41.490 42.059 -0.289 0.000 0.901 303 L HN 0.237 nan 8.230 nan 0.000 0.433 304 K N -0.698 119.682 120.400 -0.035 0.000 2.057 304 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 304 K C 1.988 178.613 176.600 0.041 0.000 1.049 304 K CA 1.320 57.619 56.287 0.019 0.000 0.931 304 K CB -0.234 32.287 32.500 0.035 0.000 0.714 304 K HN 0.391 nan 8.250 nan 0.000 0.440 305 A N 1.835 124.681 122.820 0.044 0.000 1.908 305 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 305 A C 2.162 179.773 177.584 0.044 0.000 1.181 305 A CA 1.696 53.761 52.037 0.047 0.000 0.627 305 A CB -0.609 18.418 19.000 0.045 0.000 0.818 305 A HN 0.493 nan 8.150 nan 0.000 0.445 306 M N -0.158 119.464 119.600 0.036 0.000 2.117 306 M HA -0.088 4.392 4.480 -0.000 0.000 0.262 306 M C 1.983 178.336 176.300 0.089 0.000 1.065 306 M CA 1.737 57.071 55.300 0.056 0.000 1.114 306 M CB -0.852 31.762 32.600 0.022 0.000 1.361 306 M HN 0.433 nan 8.290 nan 0.000 0.408 307 L N -0.002 121.271 121.223 0.083 0.000 2.017 307 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 307 L C 2.366 179.289 176.870 0.090 0.000 1.073 307 L CA 1.510 56.415 54.840 0.108 0.000 0.745 307 L CB -0.730 41.380 42.059 0.086 0.000 0.894 307 L HN 0.354 nan 8.230 nan 0.000 0.432 308 E N -0.091 120.150 120.200 0.068 0.000 2.072 308 E HA -0.133 4.217 4.350 -0.000 0.000 0.190 308 E C 2.235 178.859 176.600 0.040 0.000 0.982 308 E CA 0.993 57.426 56.400 0.055 0.000 0.803 308 E CB -0.279 29.450 29.700 0.050 0.000 0.755 308 E HN 0.551 nan 8.360 nan 0.000 0.453 309 G N 1.570 110.392 108.800 0.036 0.000 2.421 309 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.216 309 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.216 309 G C 1.796 176.680 174.900 -0.026 0.000 1.171 309 G CA 1.248 46.351 45.100 0.007 0.000 0.775 309 G HN 0.380 nan 8.290 nan 0.000 0.543 310 S N 1.207 116.934 115.700 0.044 0.000 2.402 310 S HA 0.155 4.625 4.470 -0.000 0.000 0.229 310 S C 2.552 177.229 174.600 0.128 0.000 1.021 310 S CA 1.398 59.665 58.200 0.112 0.000 0.974 310 S CB -0.417 62.952 63.200 0.280 0.000 0.800 310 S HN 0.581 nan 8.310 nan 0.000 0.484 311 A N 1.410 124.285 122.820 0.091 0.000 2.067 311 A HA 0.429 4.749 4.320 -0.000 0.000 0.219 311 A C 2.336 179.936 177.584 0.026 0.000 1.158 311 A CA 1.443 53.524 52.037 0.074 0.000 0.661 311 A CB -0.985 18.055 19.000 0.067 0.000 0.801 311 A HN 0.829 nan 8.150 nan 0.000 0.452 312 A N -0.656 122.153 122.820 -0.018 0.000 1.997 312 A HA 0.070 4.390 4.320 -0.000 0.000 0.212 312 A C 1.630 179.139 177.584 -0.126 0.000 1.178 312 A CA 1.143 53.148 52.037 -0.053 0.000 0.698 312 A CB -0.091 18.884 19.000 -0.042 0.000 0.842 312 A HN 0.363 nan 8.150 nan 0.000 0.458 313 D N -1.146 119.098 120.400 -0.260 0.000 2.194 313 D HA 0.007 4.647 4.640 -0.000 0.000 0.204 313 D C -0.424 175.546 176.300 -0.550 0.000 0.964 313 D CA 0.876 54.558 54.000 -0.531 0.000 0.846 313 D CB -0.126 40.004 40.800 -1.116 0.000 0.962 313 D HN 0.451 nan 8.370 nan 0.000 0.490 314 Y N 0.392 120.570 120.300 -0.202 0.000 2.367 314 Y HA 0.418 4.968 4.550 -0.000 0.000 0.342 314 Y C 1.256 177.113 175.900 -0.073 0.000 0.979 314 Y CA -0.857 57.177 58.100 -0.110 0.000 1.161 314 Y CB 1.470 39.890 38.460 -0.068 0.000 1.155 314 Y HN -0.167 nan 8.280 nan 0.000 0.503 315 A N 2.921 125.789 122.820 0.080 0.000 1.908 315 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 315 A C 0.833 178.410 177.584 -0.012 0.000 1.181 315 A CA 1.429 53.470 52.037 0.007 0.000 0.627 315 A CB -0.250 18.749 19.000 -0.001 0.000 0.818 315 A HN 0.774 nan 8.150 nan 0.000 0.445 316 Q N -1.132 118.703 119.800 0.058 0.000 2.788 316 Q HA 0.411 4.750 4.340 -0.000 0.000 0.261 316 Q C 0.406 176.460 176.000 0.090 0.000 1.029 316 Q CA -0.106 55.733 55.803 0.060 0.000 0.848 316 Q CB 1.177 29.980 28.738 0.109 0.000 1.185 316 Q HN 0.155 nan 8.270 nan 0.000 0.482 317 V N 1.294 121.261 119.914 0.089 0.000 2.720 317 V HA -0.221 3.899 4.120 -0.000 0.000 0.256 317 V C 0.781 176.883 176.094 0.014 0.000 1.082 317 V CA 2.040 64.371 62.300 0.052 0.000 1.101 317 V CB 0.152 32.035 31.823 0.100 0.000 0.693 317 V HN 0.704 nan 8.190 nan 0.000 0.479 318 D N -0.463 119.989 120.400 0.087 0.000 2.363 318 D HA -0.065 4.575 4.640 -0.000 0.000 0.226 318 D C 0.877 177.258 176.300 0.134 0.000 1.020 318 D CA 0.615 54.679 54.000 0.106 0.000 0.892 318 D CB 0.115 41.040 40.800 0.207 0.000 0.900 318 D HN 0.509 nan 8.370 nan 0.000 0.531 319 D N 0.376 120.874 120.400 0.163 0.000 2.379 319 D HA 0.000 4.640 4.640 -0.000 0.000 0.208 319 D C 0.492 176.893 176.300 0.168 0.000 1.065 319 D CA 0.203 54.373 54.000 0.284 0.000 0.848 319 D CB 0.533 41.565 40.800 0.386 0.000 0.949 319 D HN 0.057 nan 8.370 nan 0.000 0.509 320 Q N 0.781 120.559 119.800 -0.036 0.000 2.304 320 Q HA 0.191 4.531 4.340 -0.000 0.000 0.260 320 Q C -0.027 175.883 176.000 -0.150 0.000 0.965 320 Q CA -0.207 55.508 55.803 -0.148 0.000 0.898 320 Q CB 1.764 30.295 28.738 -0.346 0.000 1.196 320 Q HN -0.106 nan 8.270 nan 0.000 0.402 321 V N 3.738 123.567 119.914 -0.143 0.000 2.389 321 V HA 0.164 4.284 4.120 -0.000 0.000 0.264 321 V C 0.718 176.793 176.094 -0.031 0.000 1.049 321 V CA -0.417 61.767 62.300 -0.193 0.000 0.932 321 V CB 0.336 31.875 31.823 -0.474 0.000 1.011 321 V HN 0.859 nan 8.190 nan 0.000 0.475 322 T N 2.899 117.348 114.554 -0.175 0.000 2.874 322 T HA 0.826 5.176 4.350 -0.000 0.000 0.281 322 T C -0.569 174.202 174.700 0.119 0.000 0.994 322 T CA -0.417 61.506 62.100 -0.296 0.000 1.015 322 T CB 1.472 69.753 68.868 -0.977 0.000 1.028 322 T HN 0.734 nan 8.240 nan 0.000 0.523 323 F N -1.269 118.645 119.950 -0.061 0.000 2.842 323 F HA 0.483 5.010 4.527 -0.000 0.000 0.319 323 F C -0.057 175.820 175.800 0.128 0.000 1.159 323 F CA -1.394 56.625 58.000 0.032 0.000 0.902 323 F CB 0.534 39.543 39.000 0.016 0.000 1.311 323 F HN 0.588 nan 8.300 nan 0.000 0.453 324 I N -1.447 119.248 120.570 0.209 0.000 4.181 324 I HA 0.479 4.649 4.170 -0.000 0.000 0.331 324 I C -0.871 175.451 176.117 0.342 0.000 1.312 324 I CA 0.168 61.572 61.300 0.174 0.000 1.146 324 I CB 0.542 38.529 38.000 -0.021 0.000 1.074 324 I HN 0.677 nan 8.210 nan 0.000 0.402 325 D N 0.639 121.300 120.400 0.433 0.000 2.764 325 D HA 0.354 4.994 4.640 -0.000 0.000 0.293 325 D C -1.128 175.254 176.300 0.136 0.000 1.287 325 D CA -0.608 53.598 54.000 0.342 0.000 0.768 325 D CB 0.589 41.561 40.800 0.287 0.000 1.288 325 D HN 0.320 nan 8.370 nan 0.000 0.426 326 N N -2.794 115.785 118.700 -0.201 0.000 3.449 326 N HA 0.175 4.915 4.740 -0.000 0.000 0.312 326 N C 0.612 175.598 175.510 -0.873 0.000 1.557 326 N CA -0.441 52.160 53.050 -0.748 0.000 0.864 326 N CB -0.176 38.057 38.487 -0.422 0.000 1.799 326 N HN 0.552 nan 8.380 nan 0.000 0.554 327 H N -1.715 116.862 119.070 -0.821 0.000 2.545 327 H HA 0.141 4.697 4.556 -0.000 0.000 0.282 327 H C -0.702 174.580 175.328 -0.078 0.000 1.020 327 H CA 0.977 56.808 56.048 -0.361 0.000 1.243 327 H CB -0.299 29.425 29.762 -0.064 0.000 1.377 327 H HN 0.538 nan 8.280 nan 0.000 0.581 328 D N 0.437 120.607 120.400 -0.383 0.000 2.462 328 D HA 0.252 4.892 4.640 -0.000 0.000 0.221 328 D C 0.199 176.561 176.300 0.104 0.000 1.173 328 D CA 0.063 53.997 54.000 -0.110 0.000 0.831 328 D CB 0.674 41.449 40.800 -0.042 0.000 1.001 328 D HN 0.369 nan 8.370 nan 0.000 0.499 329 M N 0.166 119.803 119.600 0.061 0.000 2.593 329 M HA 0.265 4.745 4.480 -0.000 0.000 0.290 329 M C -0.335 176.015 176.300 0.084 0.000 1.244 329 M CA -0.789 54.594 55.300 0.138 0.000 0.857 329 M CB 2.957 35.679 32.600 0.202 0.000 1.738 329 M HN -0.299 nan 8.290 nan 0.000 0.461 330 E N 1.776 122.030 120.200 0.090 0.000 2.398 330 E HA 0.140 4.490 4.350 -0.000 0.000 0.263 330 E C -0.488 176.175 176.600 0.105 0.000 1.046 330 E CA -0.337 56.106 56.400 0.072 0.000 0.908 330 E CB 0.600 30.325 29.700 0.043 0.000 0.963 330 E HN 0.277 nan 8.360 nan 0.000 0.431 331 R N 1.917 122.489 120.500 0.120 0.000 2.583 331 R HA -0.096 4.244 4.340 -0.000 0.000 0.274 331 R C 0.883 177.307 176.300 0.207 0.000 0.998 331 R CA 0.255 56.466 56.100 0.185 0.000 1.081 331 R CB -0.045 30.354 30.300 0.165 0.000 0.940 331 R HN 0.629 nan 8.270 nan 0.000 0.413 332 F N 2.417 122.450 119.950 0.138 0.000 2.120 332 F HA -0.219 4.308 4.527 -0.000 0.000 0.300 332 F C 1.252 177.149 175.800 0.162 0.000 1.095 332 F CA 1.624 59.707 58.000 0.140 0.000 1.249 332 F CB -0.312 38.775 39.000 0.144 0.000 0.995 332 F HN 0.579 nan 8.300 nan 0.000 0.480 333 H N 0.876 120.180 119.070 0.390 0.000 2.944 333 H HA 0.487 5.043 4.556 -0.000 0.000 0.278 333 H C -0.325 175.086 175.328 0.138 0.000 1.083 333 H CA -0.563 55.661 56.048 0.293 0.000 1.479 333 H CB 0.215 30.171 29.762 0.322 0.000 1.486 333 H HN 0.262 nan 8.280 nan 0.000 0.493 334 A N 3.673 126.286 122.820 -0.345 0.000 2.363 334 A HA 0.270 4.590 4.320 -0.000 0.000 0.270 334 A C 1.566 178.837 177.584 -0.522 0.000 1.121 334 A CA 0.009 51.860 52.037 -0.311 0.000 0.800 334 A CB 0.081 18.966 19.000 -0.192 0.000 1.052 334 A HN 1.000 nan 8.150 nan 0.000 0.493 335 S N 1.960 117.496 115.700 -0.272 0.000 2.392 335 S HA -0.251 4.219 4.470 -0.000 0.000 0.232 335 S C 1.112 175.634 174.600 -0.130 0.000 1.041 335 S CA 1.737 59.836 58.200 -0.168 0.000 1.026 335 S CB -0.530 62.636 63.200 -0.057 0.000 0.845 335 S HN 0.920 nan 8.310 nan 0.000 0.465 336 N N 2.016 120.642 118.700 -0.122 0.000 2.230 336 N HA 0.341 5.081 4.740 -0.000 0.000 0.202 336 N C 0.196 175.677 175.510 -0.048 0.000 1.119 336 N CA 0.370 53.383 53.050 -0.060 0.000 0.851 336 N CB -0.026 38.436 38.487 -0.042 0.000 0.990 336 N HN 0.565 nan 8.380 nan 0.000 0.497 337 A N 0.910 123.671 122.820 -0.098 0.000 2.286 337 A HA 0.243 4.563 4.320 -0.000 0.000 0.286 337 A C 0.284 177.941 177.584 0.121 0.000 1.097 337 A CA -0.615 51.416 52.037 -0.010 0.000 0.821 337 A CB 0.335 19.312 19.000 -0.038 0.000 1.076 337 A HN 0.298 nan 8.150 nan 0.000 0.490 338 N N 0.518 119.294 118.700 0.127 0.000 2.468 338 N HA 0.010 4.750 4.740 -0.000 0.000 0.265 338 N C 0.948 176.589 175.510 0.219 0.000 1.199 338 N CA 0.083 53.217 53.050 0.139 0.000 0.928 338 N CB 0.496 39.046 38.487 0.105 0.000 1.059 338 N HN 0.622 nan 8.380 nan 0.000 0.467 339 R N 2.202 122.803 120.500 0.168 0.000 2.241 339 R HA -0.136 4.204 4.340 -0.000 0.000 0.224 339 R C 1.479 177.896 176.300 0.194 0.000 1.101 339 R CA 0.754 56.939 56.100 0.141 0.000 0.995 339 R CB 0.024 30.204 30.300 -0.199 0.000 0.870 339 R HN 0.459 nan 8.270 nan 0.000 0.463 340 R N 1.844 122.435 120.500 0.152 0.000 2.152 340 R HA -0.086 4.254 4.340 -0.000 0.000 0.232 340 R C 1.432 177.838 176.300 0.175 0.000 1.117 340 R CA 1.550 57.734 56.100 0.139 0.000 0.981 340 R CB -0.086 30.280 30.300 0.111 0.000 0.870 340 R HN 0.122 nan 8.270 nan 0.000 0.451 341 K N -0.021 120.531 120.400 0.253 0.000 2.057 341 K HA -0.144 4.175 4.320 -0.000 0.000 0.207 341 K C 2.067 178.864 176.600 0.328 0.000 1.049 341 K CA 1.647 58.147 56.287 0.354 0.000 0.931 341 K CB -0.368 32.383 32.500 0.419 0.000 0.714 341 K HN 0.244 nan 8.250 nan 0.000 0.440 342 L N 1.568 122.993 121.223 0.337 0.000 2.056 342 L HA -0.185 4.155 4.340 -0.000 0.000 0.207 342 L C 1.990 178.768 176.870 -0.153 0.000 1.078 342 L CA 1.560 56.389 54.840 -0.018 0.000 0.749 342 L CB -0.098 42.078 42.059 0.195 0.000 0.901 342 L HN 0.140 nan 8.230 nan 0.000 0.433 343 E N -0.445 119.758 120.200 0.004 0.000 2.085 343 E HA -0.282 4.068 4.350 -0.000 0.000 0.194 343 E C 2.229 178.772 176.600 -0.096 0.000 0.994 343 E CA 1.695 58.080 56.400 -0.026 0.000 0.801 343 E CB -0.082 29.654 29.700 0.059 0.000 0.743 343 E HN 0.640 nan 8.360 nan 0.000 0.453 344 Q N -0.094 119.644 119.800 -0.104 0.000 2.083 344 Q HA -0.081 4.259 4.340 -0.000 0.000 0.198 344 Q C 2.314 178.021 176.000 -0.488 0.000 0.969 344 Q CA 1.111 56.792 55.803 -0.202 0.000 0.838 344 Q CB -0.120 28.563 28.738 -0.091 0.000 0.900 344 Q HN 0.251 nan 8.270 nan 0.000 0.436 345 A N 0.975 123.414 122.820 -0.635 0.000 1.933 345 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 345 A C 2.061 179.443 177.584 -0.336 0.000 1.175 345 A CA 1.016 52.629 52.037 -0.706 0.000 0.628 345 A CB -0.588 17.927 19.000 -0.807 0.000 0.814 345 A HN 0.265 nan 8.150 nan 0.000 0.444 346 L N -1.010 120.038 121.223 -0.292 0.000 2.027 346 L HA -0.168 4.172 4.340 -0.000 0.000 0.206 346 L C 3.148 179.958 176.870 -0.101 0.000 1.074 346 L CA 1.057 55.796 54.840 -0.169 0.000 0.745 346 L CB -0.536 41.427 42.059 -0.161 0.000 0.898 346 L HN 0.440 nan 8.230 nan 0.000 0.433 347 A N -0.216 122.545 122.820 -0.099 0.000 1.908 347 A HA -0.298 4.022 4.320 -0.000 0.000 0.218 347 A C 2.153 179.748 177.584 0.018 0.000 1.181 347 A CA 1.775 53.780 52.037 -0.054 0.000 0.627 347 A CB -0.898 18.070 19.000 -0.054 0.000 0.818 347 A HN 0.421 nan 8.150 nan 0.000 0.445 348 F N 1.392 121.273 119.950 -0.114 0.000 2.075 348 F HA -0.162 4.365 4.527 -0.000 0.000 0.297 348 F C 2.496 178.351 175.800 0.091 0.000 1.113 348 F CA 2.397 60.401 58.000 0.008 0.000 1.218 348 F CB -0.838 38.057 39.000 -0.175 0.000 0.984 348 F HN 0.209 nan 8.300 nan 0.000 0.472 349 T N 1.595 116.158 114.554 0.015 0.000 2.708 349 T HA -0.183 4.167 4.350 -0.000 0.000 0.266 349 T C 2.153 176.774 174.700 -0.132 0.000 1.037 349 T CA 1.798 63.894 62.100 -0.008 0.000 1.146 349 T CB -0.620 68.302 68.868 0.089 0.000 0.865 349 T HN 0.255 nan 8.240 nan 0.000 0.435 350 L N 1.297 122.461 121.223 -0.098 0.000 2.265 350 L HA -0.057 4.283 4.340 -0.000 0.000 0.215 350 L C 2.541 179.340 176.870 -0.118 0.000 1.117 350 L CA 1.325 56.100 54.840 -0.108 0.000 0.782 350 L CB -0.693 41.310 42.059 -0.094 0.000 0.914 350 L HN 0.457 nan 8.230 nan 0.000 0.441 351 T N -6.042 108.450 114.554 -0.103 0.000 3.054 351 T HA 0.200 4.550 4.350 -0.000 0.000 0.255 351 T C 0.749 175.427 174.700 -0.036 0.000 1.035 351 T CA -0.307 61.759 62.100 -0.057 0.000 0.941 351 T CB 0.354 69.219 68.868 -0.005 0.000 1.026 351 T HN -0.018 nan 8.240 nan 0.000 0.533 352 S N 2.294 117.882 115.700 -0.187 0.000 2.713 352 S HA 0.590 5.060 4.470 -0.000 0.000 0.283 352 S C 0.379 174.864 174.600 -0.192 0.000 1.161 352 S CA -1.060 56.993 58.200 -0.246 0.000 0.999 352 S CB 0.900 63.815 63.200 -0.476 0.000 1.039 352 S HN 0.607 nan 8.310 nan 0.000 0.548 353 R N 0.679 121.095 120.500 -0.139 0.000 2.694 353 R HA 0.534 4.874 4.340 -0.000 0.000 0.268 353 R C 0.568 176.748 176.300 -0.201 0.000 1.061 353 R CA 0.617 56.648 56.100 -0.114 0.000 1.133 353 R CB -1.218 29.064 30.300 -0.030 0.000 1.020 353 R HN 0.942 nan 8.270 nan 0.000 0.475 354 G N 0.063 108.769 108.800 -0.157 0.000 2.416 354 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.203 354 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.203 354 G C -1.521 173.261 174.900 -0.197 0.000 1.227 354 G CA -0.329 44.661 45.100 -0.183 0.000 1.041 354 G HN 0.699 nan 8.290 nan 0.000 0.546 355 V N 2.075 121.860 119.914 -0.214 0.000 2.380 355 V HA 0.510 4.630 4.120 -0.000 0.000 0.286 355 V C -2.256 173.727 176.094 -0.185 0.000 1.015 355 V CA -1.098 61.079 62.300 -0.205 0.000 0.834 355 V CB 1.849 33.536 31.823 -0.228 0.000 1.009 355 V HN 0.567 nan 8.190 nan 0.000 0.428 356 P HA 0.353 nan 4.420 nan 0.000 0.271 356 P C -0.629 176.674 177.300 0.006 0.000 1.220 356 P CA 0.242 63.283 63.100 -0.098 0.000 0.768 356 P CB 0.840 32.479 31.700 -0.102 0.000 0.848 357 A N 4.432 127.305 122.820 0.087 0.000 2.343 357 A HA 0.633 4.953 4.320 -0.000 0.000 0.308 357 A C -0.631 177.068 177.584 0.192 0.000 1.092 357 A CA -0.665 51.490 52.037 0.197 0.000 0.751 357 A CB 0.527 19.716 19.000 0.315 0.000 1.203 357 A HN 0.448 nan 8.150 nan 0.000 0.452 358 I N 2.852 123.509 120.570 0.146 0.000 2.330 358 I HA 0.177 4.347 4.170 -0.000 0.000 0.289 358 I C -0.696 175.405 176.117 -0.028 0.000 1.001 358 I CA -0.706 60.642 61.300 0.080 0.000 1.193 358 I CB 1.141 39.190 38.000 0.082 0.000 1.345 358 I HN 0.718 nan 8.210 nan 0.000 0.461 359 Y N 8.814 129.040 120.300 -0.124 0.000 2.544 359 Y HA 0.032 4.582 4.550 -0.000 0.000 0.330 359 Y C 0.140 175.841 175.900 -0.332 0.000 1.136 359 Y CA -0.913 57.072 58.100 -0.191 0.000 1.417 359 Y CB 0.051 38.456 38.460 -0.091 0.000 1.229 359 Y HN 0.452 nan 8.280 nan 0.000 0.532 360 Y N 4.048 123.868 120.300 -0.800 0.000 2.904 360 Y HA 0.289 4.839 4.550 -0.000 0.000 0.336 360 Y C 1.127 176.827 175.900 -0.334 0.000 1.263 360 Y CA -0.311 57.370 58.100 -0.698 0.000 1.547 360 Y CB -0.067 38.148 38.460 -0.410 0.000 1.272 360 Y HN 0.929 nan 8.280 nan 0.000 0.596 361 G N 2.058 110.795 108.800 -0.106 0.000 2.225 361 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.254 361 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.254 361 G C 0.878 175.690 174.900 -0.146 0.000 0.988 361 G CA 0.488 45.487 45.100 -0.169 0.000 0.625 361 G HN 0.874 nan 8.290 nan 0.000 0.527 362 T N 1.677 116.142 114.554 -0.148 0.000 2.759 362 T HA -0.099 4.251 4.350 -0.000 0.000 0.269 362 T C 2.099 176.687 174.700 -0.187 0.000 1.042 362 T CA 1.874 63.910 62.100 -0.105 0.000 1.140 362 T CB -0.237 68.598 68.868 -0.055 0.000 0.864 362 T HN 0.787 nan 8.240 nan 0.000 0.455 363 E N 0.999 121.145 120.200 -0.091 0.000 2.478 363 E HA -0.102 4.248 4.350 -0.000 0.000 0.198 363 E C 1.195 177.675 176.600 -0.201 0.000 1.046 363 E CA 0.693 57.007 56.400 -0.143 0.000 0.870 363 E CB -0.085 29.666 29.700 0.085 0.000 0.818 363 E HN 0.388 nan 8.360 nan 0.000 0.527 364 Q N -0.171 119.554 119.800 -0.124 0.000 2.219 364 Q HA 0.092 4.432 4.340 -0.000 0.000 0.209 364 Q C -0.537 175.501 176.000 0.064 0.000 0.854 364 Q CA -0.442 55.360 55.803 -0.002 0.000 0.960 364 Q CB -0.196 28.573 28.738 0.052 0.000 1.116 364 Q HN 0.358 nan 8.270 nan 0.000 0.500 365 Y N -0.926 119.358 120.300 -0.025 0.000 3.389 365 Y HA -0.276 4.274 4.550 -0.000 0.000 0.213 365 Y C 0.307 176.248 175.900 0.068 0.000 1.272 365 Y CA 0.071 58.115 58.100 -0.094 0.000 1.444 365 Y CB -2.408 35.893 38.460 -0.265 0.000 1.445 365 Y HN 0.200 nan 8.280 nan 0.000 0.583 366 M N 0.327 120.001 119.600 0.122 0.000 2.239 366 M HA 0.225 4.705 4.480 -0.000 0.000 0.348 366 M C 0.581 176.983 176.300 0.171 0.000 1.239 366 M CA 0.846 56.203 55.300 0.096 0.000 1.114 366 M CB 0.610 33.179 32.600 -0.051 0.000 1.641 366 M HN 0.261 nan 8.290 nan 0.000 0.453 367 S N 0.861 116.648 115.700 0.145 0.000 2.607 367 S HA 0.952 5.422 4.470 -0.000 0.000 0.303 367 S C -0.191 174.446 174.600 0.062 0.000 1.086 367 S CA -0.764 57.506 58.200 0.116 0.000 0.995 367 S CB 2.199 65.447 63.200 0.080 0.000 1.084 367 S HN 0.953 nan 8.310 nan 0.000 0.507 368 G N -0.185 108.645 108.800 0.050 0.000 2.386 368 G HA2 0.485 4.445 3.960 -0.000 0.000 0.302 368 G HA3 0.485 4.445 3.960 -0.000 0.000 0.302 368 G C -0.281 174.641 174.900 0.037 0.000 1.629 368 G CA -0.294 44.828 45.100 0.038 0.000 0.917 368 G HN 0.884 nan 8.290 nan 0.000 0.676 369 G N -0.406 108.408 108.800 0.023 0.000 2.485 369 G HA2 0.659 4.618 3.960 -0.000 0.000 0.260 369 G HA3 0.659 4.618 3.960 -0.000 0.000 0.260 369 G C 0.994 175.911 174.900 0.027 0.000 1.459 369 G CA 0.723 45.835 45.100 0.019 0.000 1.060 369 G HN 1.678 nan 8.290 nan 0.000 0.546 370 T N -1.756 112.808 114.554 0.017 0.000 2.748 370 T HA 0.234 4.584 4.350 -0.000 0.000 0.304 370 T C 0.292 175.002 174.700 0.016 0.000 1.041 370 T CA 0.113 62.221 62.100 0.013 0.000 1.033 370 T CB 0.769 69.633 68.868 -0.007 0.000 0.995 370 T HN 0.536 nan 8.240 nan 0.000 0.536 371 D N 1.922 122.331 120.400 0.016 0.000 2.730 371 D HA -0.012 4.628 4.640 -0.000 0.000 0.225 371 D C -1.069 175.253 176.300 0.037 0.000 1.107 371 D CA -1.084 52.939 54.000 0.039 0.000 0.837 371 D CB 0.561 41.379 40.800 0.030 0.000 1.171 371 D HN 0.435 nan 8.370 nan 0.000 0.498 372 P HA 0.132 nan 4.420 nan 0.000 0.266 372 P C -0.100 177.230 177.300 0.050 0.000 1.381 372 P CA -0.143 63.010 63.100 0.088 0.000 0.940 372 P CB 0.504 32.267 31.700 0.106 0.000 1.435 373 D N 1.353 121.774 120.400 0.035 0.000 2.350 373 D HA -0.086 4.554 4.640 -0.000 0.000 0.216 373 D C 1.042 177.365 176.300 0.038 0.000 0.968 373 D CA 0.867 54.883 54.000 0.026 0.000 0.894 373 D CB -0.192 40.620 40.800 0.019 0.000 0.909 373 D HN 0.385 nan 8.370 nan 0.000 0.520 374 N N -0.038 118.696 118.700 0.056 0.000 2.268 374 N HA -0.016 4.724 4.740 -0.000 0.000 0.204 374 N C 0.430 176.008 175.510 0.114 0.000 1.124 374 N CA -0.058 53.048 53.050 0.094 0.000 0.838 374 N CB 0.051 38.604 38.487 0.109 0.000 0.994 374 N HN 0.040 nan 8.380 nan 0.000 0.489 375 R N -0.061 120.476 120.500 0.063 0.000 2.727 375 R HA 0.444 4.784 4.340 -0.000 0.000 0.410 375 R C -0.233 176.136 176.300 0.116 0.000 1.101 375 R CA -0.362 55.776 56.100 0.063 0.000 1.045 375 R CB 0.871 31.153 30.300 -0.030 0.000 1.380 375 R HN 0.133 nan 8.270 nan 0.000 0.587 376 A N 1.464 124.329 122.820 0.074 0.000 2.327 376 A HA 0.231 4.551 4.320 -0.000 0.000 0.255 376 A C 0.144 177.812 177.584 0.140 0.000 1.099 376 A CA -0.380 51.692 52.037 0.059 0.000 0.801 376 A CB 0.320 19.328 19.000 0.014 0.000 1.062 376 A HN 0.422 nan 8.150 nan 0.000 0.496 377 R N 0.876 121.429 120.500 0.088 0.000 2.489 377 R HA 0.206 4.546 4.340 -0.000 0.000 0.287 377 R C -0.045 176.299 176.300 0.074 0.000 1.053 377 R CA -0.238 55.926 56.100 0.107 0.000 1.036 377 R CB 0.103 30.419 30.300 0.026 0.000 0.966 377 R HN 0.699 nan 8.270 nan 0.000 0.432 378 I N 8.172 128.823 120.570 0.134 0.000 2.742 378 I HA -0.022 4.148 4.170 -0.000 0.000 0.287 378 I C -1.180 174.801 176.117 -0.227 0.000 1.186 378 I CA -1.381 59.903 61.300 -0.026 0.000 1.417 378 I CB 1.132 39.133 38.000 0.003 0.000 1.377 378 I HN 0.750 nan 8.210 nan 0.000 0.556 379 P HA -0.081 nan 4.420 nan 0.000 0.218 379 P C 0.262 177.411 177.300 -0.252 0.000 1.149 379 P CA 0.759 63.759 63.100 -0.166 0.000 0.817 379 P CB 0.268 31.920 31.700 -0.081 0.000 0.785 380 S N -2.135 113.361 115.700 -0.341 0.000 2.570 380 S HA 0.552 5.021 4.470 -0.000 0.000 0.270 380 S C -1.409 172.868 174.600 -0.537 0.000 1.149 380 S CA -0.636 57.349 58.200 -0.357 0.000 0.837 380 S CB 0.481 63.605 63.200 -0.127 0.000 1.124 380 S HN -0.177 nan 8.310 nan 0.000 0.465 381 F N 2.149 121.971 119.950 -0.213 0.000 2.928 381 F HA 0.425 4.952 4.527 0.000 0.000 0.337 381 F C 0.956 176.716 175.800 -0.067 0.000 1.259 381 F CA -0.434 57.306 58.000 -0.434 0.000 1.267 381 F CB 0.689 39.312 39.000 -0.629 0.000 0.986 381 F HN 0.448 nan 8.300 nan 0.000 0.507 382 S N 0.243 116.019 115.700 0.126 0.000 2.548 382 S HA 0.198 4.668 4.470 -0.000 0.000 0.277 382 S C 1.331 175.865 174.600 -0.111 0.000 1.315 382 S CA 0.100 58.324 58.200 0.040 0.000 1.050 382 S CB 0.623 63.834 63.200 0.018 0.000 0.918 382 S HN 0.497 nan 8.310 nan 0.000 0.497 383 T N 1.306 115.654 114.554 -0.343 0.000 3.086 383 T HA 0.173 4.523 4.350 -0.000 0.000 0.250 383 T C 1.093 175.503 174.700 -0.483 0.000 1.074 383 T CA 0.026 61.530 62.100 -0.993 0.000 0.988 383 T CB -0.006 68.429 68.868 -0.722 0.000 0.988 383 T HN 0.402 nan 8.240 nan 0.000 0.530 384 S N 2.189 117.774 115.700 -0.191 0.000 2.575 384 S HA 0.130 4.600 4.470 -0.000 0.000 0.215 384 S C 1.118 175.736 174.600 0.029 0.000 0.966 384 S CA 0.041 58.209 58.200 -0.054 0.000 0.911 384 S CB -0.188 62.997 63.200 -0.025 0.000 0.780 384 S HN 0.880 nan 8.310 nan 0.000 0.514 385 T N -0.380 114.217 114.554 0.072 0.000 2.899 385 T HA 0.187 4.537 4.350 -0.000 0.000 0.295 385 T C 1.303 176.128 174.700 0.208 0.000 1.033 385 T CA -0.257 61.962 62.100 0.199 0.000 1.084 385 T CB 0.984 70.016 68.868 0.274 0.000 0.979 385 T HN -0.024 nan 8.240 nan 0.000 0.532 386 T N 2.126 116.828 114.554 0.246 0.000 2.788 386 T HA -0.036 4.314 4.350 -0.000 0.000 0.268 386 T C 2.379 177.172 174.700 0.156 0.000 1.044 386 T CA 1.386 63.598 62.100 0.187 0.000 1.139 386 T CB -0.746 68.230 68.868 0.181 0.000 0.867 386 T HN 0.833 nan 8.240 nan 0.000 0.454 387 A N 0.437 123.342 122.820 0.142 0.000 1.902 387 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 387 A C 2.078 179.658 177.584 -0.006 0.000 1.181 387 A CA 1.494 53.502 52.037 -0.048 0.000 0.623 387 A CB -1.007 17.747 19.000 -0.410 0.000 0.818 387 A HN 0.586 nan 8.150 nan 0.000 0.443 388 Y N 0.728 120.988 120.300 -0.067 0.000 2.181 388 Y HA -0.241 4.309 4.550 -0.000 0.000 0.288 388 Y C 2.493 178.363 175.900 -0.049 0.000 1.146 388 Y CA 2.310 60.377 58.100 -0.055 0.000 1.164 388 Y CB -0.319 38.130 38.460 -0.018 0.000 0.982 388 Y HN 0.465 nan 8.280 nan 0.000 0.515 389 Q N -1.134 118.798 119.800 0.219 0.000 2.172 389 Q HA -0.127 4.213 4.340 -0.000 0.000 0.200 389 Q C 2.308 178.315 176.000 0.013 0.000 0.964 389 Q CA 1.519 57.397 55.803 0.126 0.000 0.855 389 Q CB -0.186 28.620 28.738 0.114 0.000 0.918 389 Q HN 0.367 nan 8.270 nan 0.000 0.444 390 V N 1.175 121.085 119.914 -0.006 0.000 2.295 390 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 390 V C 2.119 178.161 176.094 -0.087 0.000 1.049 390 V CA 1.636 63.909 62.300 -0.044 0.000 1.024 390 V CB -0.414 31.383 31.823 -0.044 0.000 0.648 390 V HN 0.344 nan 8.190 nan 0.000 0.447 391 I N -0.312 120.183 120.570 -0.124 0.000 2.179 391 I HA -0.311 3.859 4.170 -0.000 0.000 0.242 391 I C 2.652 178.657 176.117 -0.186 0.000 1.088 391 I CA 1.877 63.077 61.300 -0.167 0.000 1.357 391 I CB -0.485 37.378 38.000 -0.228 0.000 1.051 391 I HN 0.376 nan 8.210 nan 0.000 0.409 392 Q N 1.453 121.122 119.800 -0.217 0.000 2.152 392 Q HA -0.258 4.082 4.340 -0.000 0.000 0.206 392 Q C 2.068 178.005 176.000 -0.105 0.000 0.985 392 Q CA 1.802 57.499 55.803 -0.176 0.000 0.863 392 Q CB 0.101 28.779 28.738 -0.101 0.000 0.904 392 Q HN 0.464 nan 8.270 nan 0.000 0.422 393 K N -0.523 119.827 120.400 -0.083 0.000 2.137 393 K HA 0.027 4.347 4.320 -0.000 0.000 0.202 393 K C 1.965 178.516 176.600 -0.083 0.000 1.052 393 K CA 0.691 56.937 56.287 -0.069 0.000 0.961 393 K CB 0.264 32.732 32.500 -0.055 0.000 0.741 393 K HN 0.233 nan 8.250 nan 0.000 0.452 394 L N -0.197 120.969 121.223 -0.095 0.000 2.357 394 L HA 0.128 4.468 4.340 -0.000 0.000 0.211 394 L C 2.448 179.253 176.870 -0.108 0.000 1.075 394 L CA 0.300 55.080 54.840 -0.100 0.000 0.830 394 L CB -0.367 41.633 42.059 -0.100 0.000 0.996 394 L HN 0.079 nan 8.230 nan 0.000 0.467 395 A N 1.410 124.160 122.820 -0.116 0.000 1.892 395 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 395 A C -0.119 177.392 177.584 -0.122 0.000 1.188 395 A CA 1.932 53.897 52.037 -0.120 0.000 0.631 395 A CB -1.861 17.062 19.000 -0.129 0.000 0.822 395 A HN 0.259 nan 8.150 nan 0.000 0.447 396 P HA -0.106 nan 4.420 nan 0.000 0.221 396 P C 1.272 178.505 177.300 -0.112 0.000 1.145 396 P CA 0.691 63.726 63.100 -0.109 0.000 0.795 396 P CB -0.141 31.504 31.700 -0.092 0.000 0.775 397 L N -0.957 120.201 121.223 -0.109 0.000 2.131 397 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 397 L C 2.400 179.185 176.870 -0.140 0.000 1.092 397 L CA 1.359 56.134 54.840 -0.109 0.000 0.759 397 L CB -0.601 41.400 42.059 -0.097 0.000 0.903 397 L HN -0.016 nan 8.230 nan 0.000 0.435 398 R N -0.223 120.179 120.500 -0.163 0.000 2.237 398 R HA -0.101 4.239 4.340 -0.000 0.000 0.219 398 R C 2.040 178.192 176.300 -0.247 0.000 1.080 398 R CA 0.635 56.603 56.100 -0.220 0.000 0.995 398 R CB -0.048 30.120 30.300 -0.220 0.000 0.875 398 R HN 0.306 nan 8.270 nan 0.000 0.462 399 K N 0.183 120.468 120.400 -0.192 0.000 2.141 399 K HA -0.013 4.307 4.320 -0.000 0.000 0.202 399 K C 2.261 178.771 176.600 -0.151 0.000 1.045 399 K CA 1.208 57.388 56.287 -0.178 0.000 0.971 399 K CB -0.211 32.201 32.500 -0.146 0.000 0.795 399 K HN 0.310 nan 8.250 nan 0.000 0.459 400 C N 0.542 119.767 119.300 -0.125 0.000 2.533 400 C HA 0.228 4.688 4.460 -0.000 0.000 0.272 400 C C 0.876 175.810 174.990 -0.094 0.000 1.371 400 C CA -0.535 58.423 59.018 -0.099 0.000 1.758 400 C CB -0.770 26.921 27.740 -0.082 0.000 1.972 400 C HN 0.164 nan 8.230 nan 0.000 0.522 401 N N 1.992 120.628 118.700 -0.107 0.000 2.564 401 N HA 0.309 5.049 4.740 -0.000 0.000 0.248 401 N C -1.813 173.622 175.510 -0.124 0.000 0.986 401 N CA -1.864 51.137 53.050 -0.082 0.000 0.921 401 N CB 1.576 40.029 38.487 -0.056 0.000 1.136 401 N HN 0.199 nan 8.380 nan 0.000 0.509 402 P HA -0.084 nan 4.420 nan 0.000 0.228 402 P C 0.859 178.066 177.300 -0.154 0.000 1.151 402 P CA 0.574 63.552 63.100 -0.204 0.000 0.770 402 P CB 0.383 32.107 31.700 0.039 0.000 0.786 403 A N 0.245 123.085 122.820 0.032 0.000 1.969 403 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 403 A C 2.203 179.783 177.584 -0.006 0.000 1.169 403 A CA 1.041 53.145 52.037 0.111 0.000 0.635 403 A CB -1.063 18.018 19.000 0.135 0.000 0.810 403 A HN 0.046 nan 8.150 nan 0.000 0.445 404 I N -0.280 120.236 120.570 -0.091 0.000 2.353 404 I HA -0.161 4.009 4.170 -0.000 0.000 0.248 404 I C 2.808 178.791 176.117 -0.223 0.000 1.119 404 I CA 1.458 62.684 61.300 -0.123 0.000 1.417 404 I CB -1.455 36.464 38.000 -0.136 0.000 1.078 404 I HN 0.358 nan 8.210 nan 0.000 0.421 405 A N -0.307 122.266 122.820 -0.412 0.000 1.930 405 A HA -0.119 4.201 4.320 -0.000 0.000 0.215 405 A C 1.665 178.881 177.584 -0.612 0.000 1.176 405 A CA 1.241 52.879 52.037 -0.665 0.000 0.632 405 A CB -0.390 17.929 19.000 -1.135 0.000 0.819 405 A HN 0.432 nan 8.150 nan 0.000 0.445 406 Y N -0.914 119.207 120.300 -0.298 0.000 2.471 406 Y HA 0.357 4.907 4.550 -0.000 0.000 0.249 406 Y C 1.540 177.392 175.900 -0.080 0.000 1.116 406 Y CA -0.984 56.925 58.100 -0.319 0.000 1.240 406 Y CB -0.726 37.206 38.460 -0.880 0.000 1.251 406 Y HN 0.207 nan 8.280 nan 0.000 0.527 407 G N 1.176 110.049 108.800 0.122 0.000 2.614 407 G HA2 0.318 4.278 3.960 -0.000 0.000 0.239 407 G HA3 0.318 4.278 3.960 -0.000 0.000 0.239 407 G C 0.401 175.416 174.900 0.192 0.000 1.240 407 G CA 0.005 45.253 45.100 0.246 0.000 0.842 407 G HN 0.262 nan 8.290 nan 0.000 0.584 408 S N -0.536 115.284 115.700 0.200 0.000 2.617 408 S HA 0.556 5.026 4.470 -0.000 0.000 0.259 408 S C 0.049 174.735 174.600 0.143 0.000 1.301 408 S CA -0.372 57.920 58.200 0.152 0.000 0.984 408 S CB 1.344 64.626 63.200 0.137 0.000 0.954 408 S HN 0.581 nan 8.310 nan 0.000 0.572 409 T N 1.463 116.094 114.554 0.129 0.000 2.840 409 T HA 0.499 4.849 4.350 -0.000 0.000 0.287 409 T C -0.953 173.834 174.700 0.146 0.000 0.991 409 T CA -0.502 61.687 62.100 0.148 0.000 0.964 409 T CB 1.232 70.165 68.868 0.108 0.000 0.954 409 T HN 0.678 nan 8.240 nan 0.000 0.438 410 Q N 2.334 122.242 119.800 0.180 0.000 2.323 410 Q HA 0.289 4.629 4.340 -0.000 0.000 0.271 410 Q C -0.917 175.203 176.000 0.200 0.000 1.048 410 Q CA -0.732 55.166 55.803 0.158 0.000 0.792 410 Q CB 1.665 30.480 28.738 0.129 0.000 1.280 410 Q HN 0.597 nan 8.270 nan 0.000 0.441 411 E N 3.521 123.824 120.200 0.172 0.000 2.324 411 E HA 0.043 4.393 4.350 -0.000 0.000 0.271 411 E C -0.260 176.443 176.600 0.171 0.000 1.028 411 E CA 0.160 56.674 56.400 0.189 0.000 0.890 411 E CB 0.680 30.460 29.700 0.133 0.000 1.004 411 E HN 0.623 nan 8.360 nan 0.000 0.431 412 R N 3.291 123.922 120.500 0.218 0.000 2.316 412 R HA 0.146 4.486 4.340 -0.000 0.000 0.201 412 R C -0.321 176.155 176.300 0.293 0.000 0.888 412 R CA 0.183 56.414 56.100 0.217 0.000 1.041 412 R CB 0.417 30.849 30.300 0.221 0.000 1.115 412 R HN 0.571 nan 8.270 nan 0.000 0.559 413 W N -0.057 121.297 121.300 0.090 0.000 3.479 413 W HA 0.574 5.234 4.660 -0.000 0.000 0.304 413 W C -1.613 174.928 176.519 0.038 0.000 1.243 413 W CA -0.569 56.812 57.345 0.060 0.000 1.202 413 W CB 1.360 30.857 29.460 0.063 0.000 1.346 413 W HN -0.183 nan 8.180 nan 0.000 0.539 414 I N 5.743 126.269 120.570 -0.072 0.000 2.785 414 I HA 0.423 4.593 4.170 -0.000 0.000 0.293 414 I C -1.636 174.321 176.117 -0.266 0.000 1.446 414 I CA -0.445 60.803 61.300 -0.087 0.000 1.028 414 I CB 1.539 39.436 38.000 -0.171 0.000 1.349 414 I HN 0.650 nan 8.210 nan 0.000 0.438 415 N N 3.698 122.264 118.700 -0.224 0.000 3.364 415 N HA 0.372 5.112 4.740 -0.000 0.000 0.294 415 N C -0.300 175.054 175.510 -0.260 0.000 1.562 415 N CA -0.700 52.262 53.050 -0.147 0.000 0.862 415 N CB 0.026 38.544 38.487 0.053 0.000 1.691 415 N HN 0.412 nan 8.380 nan 0.000 0.572 416 N N -0.186 118.521 118.700 0.011 0.000 2.060 416 N HA -0.134 4.605 4.740 -0.000 0.000 0.195 416 N C -0.104 175.357 175.510 -0.081 0.000 1.028 416 N CA 1.852 54.910 53.050 0.013 0.000 0.861 416 N CB -0.326 38.211 38.487 0.084 0.000 1.029 416 N HN 0.590 nan 8.380 nan 0.000 0.428 417 D N -0.608 119.771 120.400 -0.035 0.000 2.417 417 D HA 0.116 4.756 4.640 -0.000 0.000 0.207 417 D C -0.039 176.255 176.300 -0.010 0.000 1.075 417 D CA 0.115 54.091 54.000 -0.040 0.000 0.851 417 D CB 1.193 41.995 40.800 0.004 0.000 0.976 417 D HN -0.044 nan 8.370 nan 0.000 0.505 418 V N 1.862 121.802 119.914 0.044 0.000 2.513 418 V HA 0.424 4.544 4.120 -0.000 0.000 0.299 418 V C -0.659 175.518 176.094 0.138 0.000 1.035 418 V CA -0.836 61.542 62.300 0.130 0.000 0.889 418 V CB 2.478 34.449 31.823 0.247 0.000 0.988 418 V HN -0.057 nan 8.190 nan 0.000 0.440 419 L N 6.475 127.807 121.223 0.181 0.000 2.482 419 L HA 0.644 4.984 4.340 -0.000 0.000 0.269 419 L C -1.020 176.058 176.870 0.346 0.000 0.967 419 L CA 0.100 55.082 54.840 0.235 0.000 0.851 419 L CB 1.522 43.691 42.059 0.183 0.000 1.242 419 L HN 0.571 nan 8.230 nan 0.000 0.404 420 I N 6.432 127.221 120.570 0.364 0.000 2.382 420 I HA 0.357 4.527 4.170 -0.000 0.000 0.285 420 I C -1.036 175.280 176.117 0.331 0.000 1.007 420 I CA -0.746 60.738 61.300 0.306 0.000 1.142 420 I CB 0.965 39.163 38.000 0.329 0.000 1.289 420 I HN 0.600 nan 8.210 nan 0.000 0.453 421 Y N 3.416 123.839 120.300 0.205 0.000 2.549 421 Y HA 0.741 5.291 4.550 -0.000 0.000 0.339 421 Y C -0.500 175.488 175.900 0.147 0.000 1.053 421 Y CA -1.458 56.746 58.100 0.173 0.000 1.105 421 Y CB 0.977 39.544 38.460 0.178 0.000 1.258 421 Y HN 0.483 nan 8.280 nan 0.000 0.478 422 E N 2.313 122.665 120.200 0.253 0.000 2.210 422 E HA 0.451 4.801 4.350 -0.000 0.000 0.266 422 E C -1.161 175.557 176.600 0.195 0.000 0.883 422 E CA -1.123 55.369 56.400 0.153 0.000 0.761 422 E CB 0.990 30.765 29.700 0.125 0.000 1.156 422 E HN 0.622 nan 8.360 nan 0.000 0.412 423 R N 3.509 124.102 120.500 0.155 0.000 2.346 423 R HA 0.433 4.773 4.340 -0.000 0.000 0.311 423 R C -0.674 175.712 176.300 0.144 0.000 0.983 423 R CA -0.588 55.606 56.100 0.156 0.000 0.880 423 R CB 1.379 31.755 30.300 0.127 0.000 1.100 423 R HN 0.510 nan 8.270 nan 0.000 0.453 424 K N 2.447 122.947 120.400 0.168 0.000 2.513 424 K HA 0.431 4.751 4.320 -0.000 0.000 0.251 424 K C -1.823 174.935 176.600 0.263 0.000 0.939 424 K CA -0.585 55.809 56.287 0.179 0.000 0.793 424 K CB 1.363 33.941 32.500 0.131 0.000 1.241 424 K HN 0.398 nan 8.250 nan 0.000 0.431 425 F N 4.254 124.254 119.950 0.083 0.000 2.671 425 F HA 0.423 4.950 4.527 -0.000 0.000 0.332 425 F C 0.326 176.166 175.800 0.066 0.000 1.189 425 F CA 0.670 58.723 58.000 0.088 0.000 0.988 425 F CB 1.271 40.344 39.000 0.122 0.000 1.258 425 F HN 0.854 nan 8.300 nan 0.000 0.471 426 G N 3.500 112.040 108.800 -0.433 0.000 2.611 426 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.301 426 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.301 426 G C 0.616 175.474 174.900 -0.071 0.000 1.233 426 G CA 0.260 45.171 45.100 -0.316 0.000 0.993 426 G HN 0.864 nan 8.290 nan 0.000 0.553 427 S N 2.294 117.985 115.700 -0.015 0.000 2.679 427 S HA 0.244 4.714 4.470 -0.000 0.000 0.233 427 S C 0.411 175.106 174.600 0.158 0.000 0.951 427 S CA -0.092 58.164 58.200 0.093 0.000 0.973 427 S CB -0.293 62.961 63.200 0.089 0.000 0.778 427 S HN 0.508 nan 8.310 nan 0.000 0.477 428 N N 1.345 120.127 118.700 0.137 0.000 2.362 428 N HA 0.531 5.271 4.740 -0.000 0.000 0.298 428 N C -1.022 174.603 175.510 0.192 0.000 1.048 428 N CA -0.217 52.924 53.050 0.152 0.000 0.858 428 N CB 2.257 40.829 38.487 0.143 0.000 1.218 428 N HN -0.069 nan 8.380 nan 0.000 0.488 429 V N 0.199 120.241 119.914 0.214 0.000 2.971 429 V HA 0.833 4.953 4.120 -0.000 0.000 0.309 429 V C -0.789 175.385 176.094 0.133 0.000 1.130 429 V CA -0.908 61.495 62.300 0.172 0.000 0.964 429 V CB 1.932 33.855 31.823 0.167 0.000 1.029 429 V HN 0.823 nan 8.190 nan 0.000 0.427 430 A N 2.786 125.658 122.820 0.086 0.000 2.408 430 A HA 0.876 5.196 4.320 -0.000 0.000 0.295 430 A C -1.438 176.152 177.584 0.009 0.000 1.040 430 A CA -0.511 51.551 52.037 0.042 0.000 0.707 430 A CB 1.921 20.929 19.000 0.013 0.000 1.235 430 A HN 0.759 nan 8.150 nan 0.000 0.418 431 V N 2.634 122.551 119.914 0.006 0.000 2.487 431 V HA 0.569 4.689 4.120 -0.000 0.000 0.298 431 V C -0.476 175.531 176.094 -0.145 0.000 1.028 431 V CA -0.550 61.754 62.300 0.006 0.000 0.860 431 V CB 1.615 33.549 31.823 0.185 0.000 0.991 431 V HN 0.696 nan 8.190 nan 0.000 0.427 432 V N 3.743 123.403 119.914 -0.423 0.000 2.448 432 V HA 0.824 4.944 4.120 -0.000 0.000 0.295 432 V C 0.235 176.102 176.094 -0.380 0.000 1.025 432 V CA -0.551 61.404 62.300 -0.575 0.000 0.859 432 V CB 1.788 33.101 31.823 -0.850 0.000 0.988 432 V HN 0.980 nan 8.190 nan 0.000 0.431 433 A N 4.722 127.375 122.820 -0.279 0.000 2.303 433 A HA 0.889 5.209 4.320 -0.000 0.000 0.320 433 A C -0.880 176.718 177.584 0.023 0.000 1.192 433 A CA -0.521 51.510 52.037 -0.011 0.000 0.821 433 A CB 1.395 20.479 19.000 0.140 0.000 1.188 433 A HN 0.728 nan 8.150 nan 0.000 0.492 434 V N 2.864 122.868 119.914 0.150 0.000 2.623 434 V HA 0.386 4.506 4.120 -0.000 0.000 0.304 434 V C -0.703 175.496 176.094 0.175 0.000 1.054 434 V CA -0.758 61.654 62.300 0.187 0.000 0.882 434 V CB 1.925 33.943 31.823 0.324 0.000 1.002 434 V HN 0.906 nan 8.190 nan 0.000 0.424 435 N N 3.446 122.232 118.700 0.145 0.000 2.626 435 N HA 0.288 5.028 4.740 -0.000 0.000 0.242 435 N C 1.090 176.673 175.510 0.122 0.000 1.005 435 N CA -0.778 52.339 53.050 0.111 0.000 0.905 435 N CB 1.158 39.696 38.487 0.084 0.000 1.128 435 N HN 0.692 nan 8.380 nan 0.000 0.512 436 R N 1.926 122.490 120.500 0.106 0.000 2.237 436 R HA 0.014 4.354 4.340 -0.000 0.000 0.219 436 R C 0.123 176.467 176.300 0.074 0.000 1.080 436 R CA 0.373 56.541 56.100 0.113 0.000 0.995 436 R CB -0.189 30.079 30.300 -0.054 0.000 0.875 436 R HN 0.262 nan 8.270 nan 0.000 0.462 437 N N 1.470 120.200 118.700 0.051 0.000 2.416 437 N HA -0.032 4.708 4.740 -0.000 0.000 0.265 437 N C 0.065 175.609 175.510 0.056 0.000 1.195 437 N CA -0.030 53.046 53.050 0.043 0.000 0.943 437 N CB 0.974 39.483 38.487 0.036 0.000 1.115 437 N HN 0.141 nan 8.380 nan 0.000 0.481 438 L N 3.741 124.998 121.223 0.057 0.000 2.552 438 L HA 0.076 4.416 4.340 -0.000 0.000 0.227 438 L C 0.854 177.751 176.870 0.045 0.000 1.146 438 L CA 0.872 55.747 54.840 0.058 0.000 0.858 438 L CB -0.401 41.697 42.059 0.064 0.000 0.969 438 L HN 0.545 nan 8.230 nan 0.000 0.451 439 N N -1.208 117.515 118.700 0.039 0.000 2.193 439 N HA 0.328 5.068 4.740 -0.000 0.000 0.210 439 N C 0.152 175.680 175.510 0.031 0.000 1.215 439 N CA 0.351 53.421 53.050 0.032 0.000 0.901 439 N CB 0.834 39.337 38.487 0.027 0.000 1.060 439 N HN 0.108 nan 8.380 nan 0.000 0.508 440 A N 1.112 123.952 122.820 0.033 0.000 2.343 440 A HA 0.684 5.004 4.320 -0.000 0.000 0.308 440 A C -2.748 174.856 177.584 0.034 0.000 1.092 440 A CA -1.430 50.626 52.037 0.032 0.000 0.751 440 A CB 1.283 20.302 19.000 0.032 0.000 1.203 440 A HN -0.142 nan 8.150 nan 0.000 0.452 441 P HA 0.534 nan 4.420 nan 0.000 0.276 441 P C -0.501 176.804 177.300 0.010 0.000 1.261 441 P CA -0.170 62.944 63.100 0.023 0.000 0.800 441 P CB 1.146 32.858 31.700 0.021 0.000 1.066 442 A N 0.514 123.320 122.820 -0.023 0.000 2.393 442 A HA 0.560 4.880 4.320 -0.000 0.000 0.306 442 A C -0.550 176.928 177.584 -0.177 0.000 1.050 442 A CA -0.421 51.577 52.037 -0.064 0.000 0.724 442 A CB 0.856 19.814 19.000 -0.069 0.000 1.248 442 A HN 0.324 nan 8.150 nan 0.000 0.424 443 S N 2.521 118.130 115.700 -0.152 0.000 2.400 443 S HA 0.325 4.795 4.470 -0.000 0.000 0.295 443 S C -0.006 174.337 174.600 -0.428 0.000 1.113 443 S CA -0.301 57.766 58.200 -0.221 0.000 1.064 443 S CB -0.216 62.937 63.200 -0.077 0.000 0.990 443 S HN 0.464 nan 8.310 nan 0.000 0.502 444 I N 4.606 124.687 120.570 -0.815 0.000 2.281 444 I HA 0.239 4.409 4.170 -0.000 0.000 0.293 444 I C 0.643 176.332 176.117 -0.713 0.000 1.085 444 I CA -0.154 60.404 61.300 -1.236 0.000 1.257 444 I CB -0.441 36.408 38.000 -1.919 0.000 1.430 444 I HN 0.527 nan 8.210 nan 0.000 0.489 445 S N 2.606 118.184 115.700 -0.204 0.000 2.568 445 S HA 0.797 5.267 4.470 -0.000 0.000 0.293 445 S C 0.647 175.386 174.600 0.231 0.000 1.089 445 S CA -0.087 58.112 58.200 -0.001 0.000 0.945 445 S CB 2.250 65.471 63.200 0.034 0.000 1.077 445 S HN 1.068 nan 8.310 nan 0.000 0.485 446 G N 0.034 108.923 108.800 0.147 0.000 2.148 446 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.254 446 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.254 446 G C -0.237 174.802 174.900 0.231 0.000 0.981 446 G CA 0.193 45.397 45.100 0.175 0.000 0.670 446 G HN 1.205 nan 8.290 nan 0.000 0.528 447 L N 1.274 122.628 121.223 0.218 0.000 2.361 447 L HA 0.648 4.988 4.340 -0.000 0.000 0.278 447 L C 0.205 177.152 176.870 0.128 0.000 1.113 447 L CA -0.427 54.554 54.840 0.236 0.000 0.849 447 L CB 1.372 43.513 42.059 0.137 0.000 1.155 447 L HN 0.098 nan 8.230 nan 0.000 0.452 448 V N 4.772 124.762 119.914 0.126 0.000 2.555 448 V HA 0.772 4.892 4.120 -0.000 0.000 0.302 448 V C 0.253 176.382 176.094 0.059 0.000 1.038 448 V CA -0.004 62.337 62.300 0.068 0.000 0.887 448 V CB 1.783 33.642 31.823 0.061 0.000 0.991 448 V HN 0.990 nan 8.190 nan 0.000 0.434 449 T N 0.227 114.791 114.554 0.016 0.000 2.716 449 T HA 0.391 4.741 4.350 -0.000 0.000 0.286 449 T C 0.343 175.036 174.700 -0.011 0.000 1.052 449 T CA -0.388 61.715 62.100 0.004 0.000 1.024 449 T CB 1.881 70.723 68.868 -0.044 0.000 1.349 449 T HN 0.295 nan 8.240 nan 0.000 0.525 450 S N -0.095 115.598 115.700 -0.011 0.000 2.557 450 S HA 0.337 4.807 4.470 -0.000 0.000 0.223 450 S C 0.514 175.082 174.600 -0.054 0.000 0.969 450 S CA -0.496 57.697 58.200 -0.012 0.000 0.927 450 S CB -0.605 62.610 63.200 0.024 0.000 0.806 450 S HN 0.456 nan 8.310 nan 0.000 0.489 451 L N 3.012 124.173 121.223 -0.103 0.000 2.410 451 L HA 0.235 4.575 4.340 -0.000 0.000 0.273 451 L C -2.321 174.468 176.870 -0.136 0.000 1.152 451 L CA -1.788 52.949 54.840 -0.173 0.000 0.855 451 L CB 0.063 41.880 42.059 -0.403 0.000 1.129 451 L HN -0.054 nan 8.230 nan 0.000 0.463 452 P HA -0.001 nan 4.420 nan 0.000 0.270 452 P C -0.791 176.493 177.300 -0.028 0.000 1.223 452 P CA -0.429 62.549 63.100 -0.204 0.000 0.785 452 P CB 0.427 31.834 31.700 -0.489 0.000 0.923 453 Q N 0.746 120.522 119.800 -0.039 0.000 2.315 453 Q HA 0.386 4.726 4.340 -0.000 0.000 0.289 453 Q C 0.275 176.265 176.000 -0.015 0.000 1.044 453 Q CA 0.907 56.707 55.803 -0.006 0.000 0.920 453 Q CB -0.243 28.481 28.738 -0.023 0.000 1.214 453 Q HN 0.725 nan 8.270 nan 0.000 0.392 454 G N 1.374 110.176 108.800 0.004 0.000 2.362 454 G HA2 0.060 4.020 3.960 -0.000 0.000 0.288 454 G HA3 0.060 4.020 3.960 -0.000 0.000 0.288 454 G C -1.648 173.195 174.900 -0.095 0.000 1.305 454 G CA -0.331 44.711 45.100 -0.096 0.000 0.910 454 G HN 0.549 nan 8.290 nan 0.000 0.518 455 S N -0.998 114.572 115.700 -0.216 0.000 2.475 455 S HA 0.806 5.276 4.470 -0.000 0.000 0.298 455 S C -1.378 173.046 174.600 -0.293 0.000 1.119 455 S CA -0.531 57.585 58.200 -0.140 0.000 1.085 455 S CB 0.729 63.873 63.200 -0.093 0.000 1.028 455 S HN 0.593 nan 8.310 nan 0.000 0.489 456 Y N 2.717 122.967 120.300 -0.084 0.000 2.350 456 Y HA 0.397 4.947 4.550 -0.000 0.000 0.338 456 Y C 0.550 176.516 175.900 0.110 0.000 0.961 456 Y CA -0.850 57.260 58.100 0.016 0.000 1.100 456 Y CB 1.218 39.691 38.460 0.020 0.000 1.179 456 Y HN 0.660 nan 8.280 nan 0.000 0.454 457 N N 1.721 120.567 118.700 0.243 0.000 2.529 457 N HA 0.048 4.788 4.740 -0.000 0.000 0.278 457 N C -1.082 174.587 175.510 0.265 0.000 1.146 457 N CA -0.640 52.531 53.050 0.201 0.000 0.980 457 N CB 0.646 39.190 38.487 0.095 0.000 1.124 457 N HN 0.615 nan 8.380 nan 0.000 0.458 458 D N 1.683 122.194 120.400 0.185 0.000 2.401 458 D HA -0.018 4.622 4.640 -0.000 0.000 0.254 458 D C 0.988 177.258 176.300 -0.049 0.000 1.192 458 D CA -0.193 53.794 54.000 -0.022 0.000 0.885 458 D CB 0.932 41.695 40.800 -0.061 0.000 1.147 458 D HN 0.153 nan 8.370 nan 0.000 0.478 459 V N 4.468 124.322 119.914 -0.100 0.000 2.469 459 V HA -0.230 3.890 4.120 -0.000 0.000 0.251 459 V C 2.256 178.304 176.094 -0.075 0.000 1.064 459 V CA 1.337 63.596 62.300 -0.069 0.000 1.066 459 V CB -0.558 31.213 31.823 -0.086 0.000 0.667 459 V HN 0.663 nan 8.190 nan 0.000 0.461 460 L N 0.456 121.613 121.223 -0.110 0.000 2.552 460 L HA 0.163 4.503 4.340 -0.000 0.000 0.227 460 L C 1.785 178.627 176.870 -0.048 0.000 1.146 460 L CA 0.808 55.599 54.840 -0.082 0.000 0.858 460 L CB -0.798 41.199 42.059 -0.104 0.000 0.969 460 L HN 0.561 nan 8.230 nan 0.000 0.451 461 G N 0.192 108.969 108.800 -0.038 0.000 2.283 461 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.280 461 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.280 461 G C 0.988 175.885 174.900 -0.006 0.000 1.029 461 G CA 0.415 45.508 45.100 -0.012 0.000 0.840 461 G HN 0.681 nan 8.290 nan 0.000 0.505 462 G N -1.779 107.011 108.800 -0.016 0.000 2.162 462 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.260 462 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.260 462 G C 1.213 176.112 174.900 -0.001 0.000 0.976 462 G CA 1.066 46.164 45.100 -0.003 0.000 0.655 462 G HN 1.647 nan 8.290 nan 0.000 0.533 463 L N -0.096 121.123 121.223 -0.007 0.000 2.079 463 L HA 0.194 4.534 4.340 -0.000 0.000 0.210 463 L C 1.975 178.850 176.870 0.008 0.000 1.081 463 L CA 2.166 57.008 54.840 0.004 0.000 0.752 463 L CB -0.116 41.944 42.059 0.003 0.000 0.896 463 L HN 0.410 nan 8.230 nan 0.000 0.433 464 L N -0.016 121.204 121.223 -0.005 0.000 3.094 464 L HA 0.261 4.601 4.340 -0.000 0.000 0.254 464 L C 0.135 177.010 176.870 0.008 0.000 1.298 464 L CA -0.192 54.651 54.840 0.005 0.000 1.050 464 L CB -0.664 41.391 42.059 -0.007 0.000 1.420 464 L HN 0.313 nan 8.230 nan 0.000 0.548 465 N N -0.268 118.440 118.700 0.013 0.000 2.747 465 N HA -0.167 4.573 4.740 -0.000 0.000 0.249 465 N C 0.646 176.171 175.510 0.025 0.000 1.107 465 N CA 0.774 53.839 53.050 0.024 0.000 0.707 465 N CB -1.016 37.493 38.487 0.036 0.000 1.054 465 N HN 0.612 nan 8.380 nan 0.000 0.555 466 G N -0.045 108.752 108.800 -0.004 0.000 2.621 466 G HA2 0.479 4.439 3.960 -0.000 0.000 0.271 466 G HA3 0.479 4.439 3.960 -0.000 0.000 0.271 466 G C 0.179 175.102 174.900 0.039 0.000 1.236 466 G CA -0.110 44.977 45.100 -0.020 0.000 0.958 466 G HN 0.432 nan 8.290 nan 0.000 0.512 467 N N -1.839 116.919 118.700 0.097 0.000 2.774 467 N HA 0.309 5.049 4.740 -0.000 0.000 0.264 467 N C -1.000 174.651 175.510 0.235 0.000 1.415 467 N CA -0.599 52.524 53.050 0.122 0.000 0.815 467 N CB 1.216 39.753 38.487 0.083 0.000 1.514 467 N HN 0.321 nan 8.380 nan 0.000 0.523 468 T N 0.806 115.425 114.554 0.107 0.000 2.910 468 T HA 0.341 4.691 4.350 -0.000 0.000 0.293 468 T C -0.177 174.402 174.700 -0.202 0.000 1.015 468 T CA -0.226 61.920 62.100 0.077 0.000 1.094 468 T CB 0.398 69.280 68.868 0.022 0.000 0.968 468 T HN 0.365 nan 8.240 nan 0.000 0.521 469 L N 2.400 123.378 121.223 -0.409 0.000 2.322 469 L HA 0.558 4.898 4.340 -0.000 0.000 0.281 469 L C -0.444 176.235 176.870 -0.320 0.000 1.014 469 L CA -0.032 54.336 54.840 -0.787 0.000 0.815 469 L CB 1.942 42.969 42.059 -1.720 0.000 1.247 469 L HN 0.538 nan 8.230 nan 0.000 0.421 470 S N 3.633 119.183 115.700 -0.250 0.000 2.474 470 S HA 0.650 5.119 4.470 -0.000 0.000 0.321 470 S C -0.788 173.764 174.600 -0.080 0.000 1.080 470 S CA -0.530 57.612 58.200 -0.098 0.000 1.106 470 S CB 1.296 64.456 63.200 -0.066 0.000 0.984 470 S HN 0.370 nan 8.310 nan 0.000 0.464 471 V N 3.379 123.287 119.914 -0.011 0.000 2.417 471 V HA 0.684 4.803 4.120 -0.000 0.000 0.291 471 V C 0.955 177.048 176.094 -0.001 0.000 1.024 471 V CA -0.479 61.812 62.300 -0.015 0.000 0.861 471 V CB 1.440 33.270 31.823 0.012 0.000 0.985 471 V HN 0.897 nan 8.190 nan 0.000 0.436 472 G N 3.053 111.845 108.800 -0.013 0.000 2.695 472 G HA2 0.492 4.452 3.960 -0.000 0.000 0.213 472 G HA3 0.492 4.452 3.960 -0.000 0.000 0.213 472 G C 0.260 175.153 174.900 -0.012 0.000 1.406 472 G CA 0.047 45.141 45.100 -0.011 0.000 1.049 472 G HN 0.854 nan 8.290 nan 0.000 0.573 473 S N -1.841 113.852 115.700 -0.011 0.000 2.603 473 S HA 0.442 4.912 4.470 -0.000 0.000 0.268 473 S C 1.302 175.896 174.600 -0.010 0.000 1.317 473 S CA 0.649 58.842 58.200 -0.012 0.000 1.012 473 S CB 0.951 64.146 63.200 -0.009 0.000 0.926 473 S HN 2.375 nan 8.310 nan 0.000 0.539 474 G N 0.526 109.319 108.800 -0.012 0.000 2.155 474 G HA2 0.066 4.026 3.960 -0.000 0.000 0.257 474 G HA3 0.066 4.026 3.960 -0.000 0.000 0.257 474 G C 1.209 176.103 174.900 -0.010 0.000 0.983 474 G CA 0.571 45.666 45.100 -0.007 0.000 0.676 474 G HN 2.423 nan 8.290 nan 0.000 0.528 475 G N -1.289 107.499 108.800 -0.021 0.000 2.155 475 G HA2 0.144 4.104 3.960 -0.000 0.000 0.257 475 G HA3 0.144 4.104 3.960 -0.000 0.000 0.257 475 G C 0.739 175.623 174.900 -0.027 0.000 0.983 475 G CA 1.242 46.322 45.100 -0.032 0.000 0.676 475 G HN 2.342 nan 8.290 nan 0.000 0.528 476 A N 0.006 122.819 122.820 -0.013 0.000 2.404 476 A HA 0.788 5.108 4.320 -0.000 0.000 0.273 476 A C 0.826 178.400 177.584 -0.016 0.000 1.144 476 A CA 0.919 52.955 52.037 -0.002 0.000 0.806 476 A CB 0.456 19.461 19.000 0.008 0.000 1.080 476 A HN 2.029 nan 8.150 nan 0.000 0.509 477 A N 3.241 126.051 122.820 -0.017 0.000 2.331 477 A HA 0.595 4.915 4.320 -0.000 0.000 0.283 477 A C 0.751 178.343 177.584 0.013 0.000 1.142 477 A CA -0.344 51.671 52.037 -0.037 0.000 0.812 477 A CB 0.146 19.105 19.000 -0.068 0.000 1.074 477 A HN 0.888 nan 8.150 nan 0.000 0.497 478 S N 2.112 117.817 115.700 0.008 0.000 2.568 478 S HA 0.072 4.542 4.470 -0.000 0.000 0.282 478 S C 0.468 175.121 174.600 0.089 0.000 1.338 478 S CA -0.521 57.698 58.200 0.032 0.000 1.045 478 S CB 0.065 63.274 63.200 0.015 0.000 0.873 478 S HN 0.756 nan 8.310 nan 0.000 0.516 479 N N 2.094 120.816 118.700 0.037 0.000 2.407 479 N HA 0.282 5.022 4.740 -0.000 0.000 0.250 479 N C -0.450 175.098 175.510 0.064 0.000 1.236 479 N CA 0.490 53.527 53.050 -0.022 0.000 0.879 479 N CB -0.223 38.239 38.487 -0.041 0.000 1.088 479 N HN 0.587 nan 8.380 nan 0.000 0.450 480 F N -2.495 117.392 119.950 -0.105 0.000 2.686 480 F HA 0.505 5.032 4.527 -0.000 0.000 0.311 480 F C -0.620 175.127 175.800 -0.089 0.000 1.128 480 F CA -1.106 56.842 58.000 -0.087 0.000 0.946 480 F CB 0.877 39.818 39.000 -0.099 0.000 1.336 480 F HN 0.045 nan 8.300 nan 0.000 0.457 481 T N 3.336 117.977 114.554 0.145 0.000 2.744 481 T HA 0.472 4.822 4.350 -0.000 0.000 0.291 481 T C -0.945 173.874 174.700 0.199 0.000 0.957 481 T CA -0.273 61.850 62.100 0.039 0.000 1.002 481 T CB 1.054 69.952 68.868 0.050 0.000 0.919 481 T HN 0.667 nan 8.240 nan 0.000 0.468 482 L N 4.756 126.019 121.223 0.067 0.000 2.268 482 L HA 0.635 4.975 4.340 -0.000 0.000 0.289 482 L C 0.546 177.471 176.870 0.091 0.000 1.064 482 L CA -0.476 54.467 54.840 0.171 0.000 0.824 482 L CB -0.471 41.643 42.059 0.092 0.000 1.202 482 L HN 0.771 nan 8.230 nan 0.000 0.433 483 A N 4.514 127.398 122.820 0.106 0.000 2.492 483 A HA 0.511 4.831 4.320 -0.000 0.000 0.236 483 A C 0.611 178.232 177.584 0.062 0.000 1.078 483 A CA 0.201 52.281 52.037 0.072 0.000 0.773 483 A CB -0.152 18.889 19.000 0.069 0.000 1.023 483 A HN 1.152 nan 8.150 nan 0.000 0.504 484 A N 0.413 123.264 122.820 0.052 0.000 2.520 484 A HA 0.480 4.800 4.320 -0.000 0.000 0.245 484 A C 1.663 179.283 177.584 0.060 0.000 1.072 484 A CA 0.742 52.810 52.037 0.052 0.000 0.761 484 A CB -0.951 18.076 19.000 0.045 0.000 1.004 484 A HN 2.777 nan 8.150 nan 0.000 0.499 485 G N 1.854 110.697 108.800 0.072 0.000 2.175 485 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.265 485 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.265 485 G C 0.874 175.820 174.900 0.077 0.000 0.979 485 G CA 0.733 45.883 45.100 0.084 0.000 0.663 485 G HN 1.987 nan 8.290 nan 0.000 0.533 486 G N -0.509 108.335 108.800 0.072 0.000 2.398 486 G HA2 0.540 4.500 3.960 -0.000 0.000 0.246 486 G HA3 0.540 4.500 3.960 -0.000 0.000 0.246 486 G C -0.071 174.859 174.900 0.050 0.000 1.289 486 G CA 0.960 46.097 45.100 0.062 0.000 0.869 486 G HN 0.786 nan 8.290 nan 0.000 0.543 487 T N 0.439 114.994 114.554 0.001 0.000 3.011 487 T HA 0.652 5.002 4.350 -0.000 0.000 0.303 487 T C -0.278 174.321 174.700 -0.167 0.000 0.997 487 T CA -0.038 62.032 62.100 -0.051 0.000 1.007 487 T CB 1.685 70.537 68.868 -0.027 0.000 1.017 487 T HN 1.095 nan 8.240 nan 0.000 0.443 488 A N 2.424 125.037 122.820 -0.345 0.000 2.498 488 A HA 0.921 5.241 4.320 -0.000 0.000 0.298 488 A C -1.278 175.737 177.584 -0.949 0.000 1.075 488 A CA -0.759 50.886 52.037 -0.652 0.000 0.714 488 A CB 1.661 20.172 19.000 -0.816 0.000 1.299 488 A HN 0.664 nan 8.150 nan 0.000 0.407 489 V N 1.825 121.184 119.914 -0.924 0.000 2.525 489 V HA 0.541 4.661 4.120 -0.000 0.000 0.299 489 V C -1.220 174.466 176.094 -0.679 0.000 1.034 489 V CA -0.514 61.356 62.300 -0.717 0.000 0.863 489 V CB 1.415 33.027 31.823 -0.351 0.000 0.999 489 V HN 0.816 nan 8.190 nan 0.000 0.423 490 W N 4.012 125.253 121.300 -0.099 0.000 2.702 490 W HA 0.765 5.425 4.660 -0.000 0.000 0.331 490 W C -0.258 176.225 176.519 -0.060 0.000 1.049 490 W CA -0.688 56.613 57.345 -0.073 0.000 1.230 490 W CB 2.139 31.478 29.460 -0.202 0.000 1.408 490 W HN 0.734 nan 8.180 nan 0.000 0.492 491 Q N 1.250 121.218 119.800 0.281 0.000 2.511 491 Q HA 0.720 5.060 4.340 -0.000 0.000 0.289 491 Q C -2.100 174.146 176.000 0.410 0.000 1.021 491 Q CA -1.093 54.848 55.803 0.230 0.000 0.785 491 Q CB 3.297 32.106 28.738 0.118 0.000 1.472 491 Q HN 0.338 nan 8.270 nan 0.000 0.411 492 Y N 0.384 120.793 120.300 0.182 0.000 2.441 492 Y HA 0.639 5.189 4.550 -0.000 0.000 0.334 492 Y C -1.711 174.253 175.900 0.107 0.000 1.061 492 Y CA -0.154 58.063 58.100 0.195 0.000 1.032 492 Y CB 2.290 40.905 38.460 0.259 0.000 1.266 492 Y HN 0.974 nan 8.280 nan 0.000 0.441 493 T N 2.535 116.763 114.554 -0.544 0.000 2.893 493 T HA 1.013 5.363 4.350 -0.000 0.000 0.291 493 T C -0.767 173.531 174.700 -0.669 0.000 1.028 493 T CA -0.269 61.570 62.100 -0.434 0.000 0.995 493 T CB 1.801 70.550 68.868 -0.198 0.000 1.051 493 T HN 1.351 nan 8.240 nan 0.000 0.470 494 A N 1.096 123.692 122.820 -0.373 0.000 2.601 494 A HA 0.896 5.216 4.320 -0.000 0.000 0.291 494 A C -0.302 177.229 177.584 -0.090 0.000 1.075 494 A CA -0.733 51.159 52.037 -0.241 0.000 0.671 494 A CB 0.571 19.458 19.000 -0.188 0.000 1.277 494 A HN 1.693 nan 8.150 nan 0.000 0.417 495 A N 0.230 123.021 122.820 -0.049 0.000 2.445 495 A HA 0.577 4.896 4.320 -0.000 0.000 0.242 495 A C 0.343 177.916 177.584 -0.018 0.000 1.075 495 A CA 0.588 52.608 52.037 -0.028 0.000 0.777 495 A CB -0.316 18.674 19.000 -0.016 0.000 1.013 495 A HN 1.024 nan 8.150 nan 0.000 0.493 496 T N 2.284 116.817 114.554 -0.034 0.000 2.756 496 T HA 0.456 4.806 4.350 -0.000 0.000 0.290 496 T C 1.390 176.067 174.700 -0.037 0.000 0.985 496 T CA 0.216 62.285 62.100 -0.052 0.000 0.955 496 T CB 1.461 70.259 68.868 -0.116 0.000 0.930 496 T HN 0.885 nan 8.240 nan 0.000 0.451 497 A N 3.609 126.419 122.820 -0.017 0.000 1.858 497 A HA 0.007 4.327 4.320 -0.000 0.000 0.216 497 A C 1.621 179.210 177.584 0.008 0.000 1.190 497 A CA 1.289 53.327 52.037 0.002 0.000 0.617 497 A CB -0.831 18.174 19.000 0.008 0.000 0.827 497 A HN 0.765 nan 8.150 nan 0.000 0.443 498 T N -1.905 112.644 114.554 -0.008 0.000 2.882 498 T HA 0.532 4.882 4.350 -0.000 0.000 0.287 498 T C -2.956 171.748 174.700 0.006 0.000 0.992 498 T CA -2.243 59.863 62.100 0.011 0.000 1.076 498 T CB 1.196 70.064 68.868 -0.000 0.000 0.961 498 T HN -0.004 nan 8.240 nan 0.000 0.490 499 P HA 0.215 nan 4.420 nan 0.000 0.263 499 P C -0.639 176.714 177.300 0.088 0.000 1.195 499 P CA 0.062 63.264 63.100 0.170 0.000 0.762 499 P CB 0.259 32.152 31.700 0.323 0.000 0.799 500 T N 4.599 119.138 114.554 -0.024 0.000 2.949 500 T HA 0.441 4.791 4.350 -0.000 0.000 0.300 500 T C 0.127 174.901 174.700 0.124 0.000 0.988 500 T CA -0.420 61.639 62.100 -0.068 0.000 0.993 500 T CB 0.452 69.050 68.868 -0.450 0.000 0.984 500 T HN 0.161 nan 8.240 nan 0.000 0.442 501 I N 2.495 123.226 120.570 0.268 0.000 2.371 501 I HA 0.379 4.549 4.170 -0.000 0.000 0.290 501 I C 1.344 177.642 176.117 0.301 0.000 1.028 501 I CA 0.004 61.476 61.300 0.287 0.000 1.345 501 I CB 1.209 39.305 38.000 0.161 0.000 1.407 501 I HN 0.888 nan 8.210 nan 0.000 0.501 502 G N 4.941 113.722 108.800 -0.031 0.000 2.784 502 G HA2 0.051 4.011 3.960 -0.000 0.000 0.208 502 G HA3 0.051 4.011 3.960 -0.000 0.000 0.208 502 G C 0.259 174.917 174.900 -0.404 0.000 1.120 502 G CA 0.280 45.128 45.100 -0.420 0.000 0.774 502 G HN 0.633 nan 8.290 nan 0.000 0.528 503 H N -0.968 117.714 119.070 -0.646 0.000 3.094 503 H HA 0.464 5.020 4.556 -0.000 0.000 0.335 503 H C -2.174 172.735 175.328 -0.697 0.000 1.254 503 H CA -0.242 55.466 56.048 -0.568 0.000 1.240 503 H CB 2.086 31.664 29.762 -0.306 0.000 1.936 503 H HN -0.097 nan 8.280 nan 0.000 0.536 504 V N 2.358 121.565 119.914 -1.180 0.000 2.760 504 V HA 0.738 4.858 4.120 -0.000 0.000 0.309 504 V C 0.060 175.946 176.094 -0.345 0.000 1.077 504 V CA -0.106 61.814 62.300 -0.634 0.000 0.910 504 V CB 1.899 33.333 31.823 -0.649 0.000 1.008 504 V HN 0.931 nan 8.190 nan 0.000 0.424 505 G N 4.217 113.015 108.800 -0.004 0.000 2.755 505 G HA2 0.680 4.640 3.960 -0.000 0.000 0.297 505 G HA3 0.680 4.640 3.960 -0.000 0.000 0.297 505 G C -3.413 171.597 174.900 0.183 0.000 1.441 505 G CA -0.959 44.246 45.100 0.175 0.000 0.964 505 G HN 0.490 nan 8.290 nan 0.000 0.540 506 P HA 0.241 nan 4.420 nan 0.000 0.274 506 P C 0.269 177.739 177.300 0.284 0.000 1.256 506 P CA -0.379 62.846 63.100 0.209 0.000 0.795 506 P CB 1.211 32.997 31.700 0.143 0.000 1.038 507 M N -0.310 119.379 119.600 0.150 0.000 2.383 507 M HA 0.294 4.774 4.480 -0.000 0.000 0.247 507 M C 0.503 176.551 176.300 -0.420 0.000 1.117 507 M CA 0.332 55.671 55.300 0.065 0.000 0.995 507 M CB -0.639 32.018 32.600 0.094 0.000 1.480 507 M HN 0.451 nan 8.290 nan 0.000 0.485 508 M N 0.816 120.218 119.600 -0.330 0.000 2.274 508 M HA 0.602 5.082 4.480 -0.000 0.000 0.272 508 M C -2.168 174.022 176.300 -0.184 0.000 1.053 508 M CA -0.187 54.886 55.300 -0.379 0.000 0.978 508 M CB 2.090 34.559 32.600 -0.218 0.000 1.836 508 M HN 0.045 nan 8.290 nan 0.000 0.484 509 A N 3.610 126.336 122.820 -0.158 0.000 2.567 509 A HA 0.587 4.907 4.320 -0.000 0.000 0.291 509 A C -1.873 175.719 177.584 0.014 0.000 1.048 509 A CA -0.986 51.042 52.037 -0.014 0.000 0.661 509 A CB 1.505 20.554 19.000 0.082 0.000 1.288 509 A HN 0.885 nan 8.150 nan 0.000 0.424 510 K N 0.211 120.620 120.400 0.014 0.000 2.090 510 K HA 0.654 4.974 4.320 -0.000 0.000 0.250 510 K C -2.699 173.904 176.600 0.005 0.000 1.004 510 K CA -1.519 54.772 56.287 0.008 0.000 0.919 510 K CB 0.260 32.759 32.500 -0.002 0.000 1.045 510 K HN 0.267 nan 8.250 nan 0.000 0.471 511 P HA -0.023 nan 4.420 nan 0.000 0.266 511 P C 0.463 177.728 177.300 -0.058 0.000 1.195 511 P CA 1.201 64.256 63.100 -0.074 0.000 0.768 511 P CB 0.634 32.280 31.700 -0.089 0.000 0.838 512 G N 0.633 109.385 108.800 -0.079 0.000 2.258 512 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.233 512 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.233 512 G C 0.113 174.992 174.900 -0.034 0.000 1.006 512 G CA -0.135 44.932 45.100 -0.056 0.000 0.620 512 G HN 0.543 nan 8.290 nan 0.000 0.511 513 V N 2.393 122.299 119.914 -0.013 0.000 2.686 513 V HA 0.474 4.594 4.120 -0.000 0.000 0.295 513 V C 1.015 177.120 176.094 0.019 0.000 1.055 513 V CA 0.617 62.924 62.300 0.011 0.000 1.050 513 V CB 1.446 33.294 31.823 0.041 0.000 0.984 513 V HN 0.331 nan 8.190 nan 0.000 0.482 514 T N 6.544 121.106 114.554 0.013 0.000 2.817 514 T HA 0.536 4.886 4.350 -0.000 0.000 0.293 514 T C -0.046 174.679 174.700 0.042 0.000 0.964 514 T CA 0.022 62.130 62.100 0.014 0.000 1.085 514 T CB 0.308 69.173 68.868 -0.005 0.000 0.921 514 T HN 0.597 nan 8.240 nan 0.000 0.502 515 I N -0.121 120.473 120.570 0.041 0.000 2.863 515 I HA 0.729 4.899 4.170 -0.000 0.000 0.311 515 I C -0.426 175.681 176.117 -0.017 0.000 1.026 515 I CA -0.871 60.456 61.300 0.045 0.000 1.077 515 I CB 2.171 40.196 38.000 0.042 0.000 1.262 515 I HN 0.319 nan 8.210 nan 0.000 0.461 516 T N 5.303 119.848 114.554 -0.015 0.000 2.772 516 T HA 0.572 4.922 4.350 -0.000 0.000 0.288 516 T C -0.189 174.449 174.700 -0.104 0.000 0.994 516 T CA -0.172 61.898 62.100 -0.049 0.000 0.951 516 T CB 0.724 69.593 68.868 0.002 0.000 0.933 516 T HN 0.370 nan 8.240 nan 0.000 0.447 517 I N 3.767 124.221 120.570 -0.193 0.000 2.328 517 I HA 0.343 4.513 4.170 -0.000 0.000 0.287 517 I C -0.280 175.756 176.117 -0.134 0.000 1.012 517 I CA -0.704 60.437 61.300 -0.265 0.000 1.195 517 I CB 1.012 38.748 38.000 -0.441 0.000 1.350 517 I HN 0.471 nan 8.210 nan 0.000 0.464 518 D N 4.766 125.119 120.400 -0.079 0.000 2.269 518 D HA 0.770 5.410 4.640 -0.000 0.000 0.244 518 D C 0.269 176.491 176.300 -0.131 0.000 0.992 518 D CA -0.055 53.927 54.000 -0.031 0.000 0.894 518 D CB 2.668 43.392 40.800 -0.127 0.000 1.248 518 D HN 0.756 nan 8.370 nan 0.000 0.468 519 G N 0.450 109.123 108.800 -0.212 0.000 2.498 519 G HA2 0.262 4.222 3.960 -0.000 0.000 0.181 519 G HA3 0.262 4.222 3.960 -0.000 0.000 0.181 519 G C -1.319 173.330 174.900 -0.418 0.000 1.169 519 G CA -0.583 44.319 45.100 -0.331 0.000 0.992 519 G HN 0.307 nan 8.290 nan 0.000 0.490 520 R N -0.876 119.308 120.500 -0.527 0.000 2.707 520 R HA 0.613 4.953 4.340 -0.000 0.000 0.272 520 R C 0.522 176.502 176.300 -0.534 0.000 1.011 520 R CA -0.016 55.837 56.100 -0.411 0.000 0.893 520 R CB 1.246 31.532 30.300 -0.022 0.000 1.233 520 R HN 2.230 nan 8.270 nan 0.000 0.464 521 G N 0.983 109.601 108.800 -0.303 0.000 2.143 521 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.248 521 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.248 521 G C 0.326 175.253 174.900 0.044 0.000 0.991 521 G CA 0.359 45.388 45.100 -0.118 0.000 0.689 521 G HN 0.444 nan 8.290 nan 0.000 0.522 522 F N 0.982 120.962 119.950 0.050 0.000 2.407 522 F HA 0.376 4.903 4.527 -0.000 0.000 0.299 522 F C 2.070 178.112 175.800 0.404 0.000 1.097 522 F CA 1.270 59.343 58.000 0.121 0.000 1.422 522 F CB -0.687 38.154 39.000 -0.265 0.000 1.067 522 F HN 1.176 nan 8.300 nan 0.000 0.539 523 G N -0.306 108.752 108.800 0.430 0.000 2.746 523 G HA2 -0.156 3.803 3.960 -0.000 0.000 0.685 523 G HA3 -0.156 3.803 3.960 -0.000 0.000 0.685 523 G C 0.703 175.867 174.900 0.439 0.000 1.350 523 G CA -0.110 45.205 45.100 0.358 0.000 0.837 523 G HN 0.400 nan 8.290 nan 0.000 0.564 524 S N -1.254 114.599 115.700 0.255 0.000 2.458 524 S HA 0.356 4.826 4.470 -0.000 0.000 0.223 524 S C 1.223 175.915 174.600 0.153 0.000 1.019 524 S CA 1.340 59.674 58.200 0.225 0.000 0.937 524 S CB 0.201 63.471 63.200 0.117 0.000 0.788 524 S HN 1.306 nan 8.310 nan 0.000 0.511 525 S N 2.047 117.747 115.700 -0.001 0.000 2.562 525 S HA 0.349 4.819 4.470 -0.000 0.000 0.275 525 S C -0.173 174.030 174.600 -0.662 0.000 1.281 525 S CA -0.722 57.358 58.200 -0.200 0.000 1.045 525 S CB 0.850 63.957 63.200 -0.155 0.000 0.962 525 S HN 0.329 nan 8.310 nan 0.000 0.503 526 K N 1.666 121.645 120.400 -0.702 0.000 2.511 526 K HA 0.133 4.453 4.320 -0.000 0.000 0.280 526 K C 0.868 176.736 176.600 -1.220 0.000 1.008 526 K CA 0.047 55.654 56.287 -1.134 0.000 1.050 526 K CB 0.220 32.431 32.500 -0.481 0.000 0.889 526 K HN 0.755 nan 8.250 nan 0.000 0.484 527 G N 1.724 109.310 108.800 -2.024 0.000 3.194 527 G HA2 0.323 4.282 3.960 -0.000 0.000 0.160 527 G HA3 0.323 4.282 3.960 -0.000 0.000 0.160 527 G C -0.770 173.824 174.900 -0.511 0.000 1.267 527 G CA -0.240 44.255 45.100 -1.007 0.000 0.962 527 G HN 0.499 nan 8.290 nan 0.000 0.612 528 T N -0.361 114.108 114.554 -0.143 0.000 2.893 528 T HA 0.577 4.927 4.350 -0.000 0.000 0.291 528 T C -0.998 173.693 174.700 -0.014 0.000 1.028 528 T CA -0.245 61.780 62.100 -0.126 0.000 0.995 528 T CB 2.108 70.835 68.868 -0.236 0.000 1.051 528 T HN 0.303 nan 8.240 nan 0.000 0.470 529 V N 2.928 122.755 119.914 -0.146 0.000 2.495 529 V HA 0.510 4.630 4.120 -0.000 0.000 0.298 529 V C -1.408 174.548 176.094 -0.230 0.000 1.031 529 V CA -0.902 61.345 62.300 -0.088 0.000 0.871 529 V CB 1.179 32.998 31.823 -0.006 0.000 0.988 529 V HN 0.815 nan 8.190 nan 0.000 0.432 530 Y N 3.663 123.926 120.300 -0.061 0.000 2.352 530 Y HA 0.643 5.193 4.550 -0.000 0.000 0.339 530 Y C -0.496 175.315 175.900 -0.148 0.000 0.992 530 Y CA -0.960 57.140 58.100 0.001 0.000 1.100 530 Y CB 1.627 40.095 38.460 0.014 0.000 1.192 530 Y HN 0.514 nan 8.280 nan 0.000 0.458 531 F N 2.493 122.505 119.950 0.103 0.000 2.311 531 F HA 0.553 5.080 4.527 -0.000 0.000 0.371 531 F C 0.930 176.889 175.800 0.266 0.000 1.083 531 F CA -0.419 57.617 58.000 0.060 0.000 1.113 531 F CB 0.870 39.759 39.000 -0.184 0.000 1.349 531 F HN 0.803 nan 8.300 nan 0.000 0.470 532 G N 2.232 111.292 108.800 0.434 0.000 2.536 532 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.280 532 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.280 532 G C 1.163 176.237 174.900 0.291 0.000 1.152 532 G CA 0.491 45.825 45.100 0.390 0.000 0.970 532 G HN 0.737 nan 8.290 nan 0.000 0.549 533 T N -1.852 112.864 114.554 0.271 0.000 3.067 533 T HA 0.341 4.691 4.350 -0.000 0.000 0.257 533 T C 1.237 176.106 174.700 0.282 0.000 1.105 533 T CA 1.624 63.861 62.100 0.229 0.000 1.104 533 T CB -0.125 68.838 68.868 0.157 0.000 0.925 533 T HN 0.831 nan 8.240 nan 0.000 0.498 534 T N 3.328 118.046 114.554 0.274 0.000 2.853 534 T HA 0.550 4.900 4.350 -0.000 0.000 0.298 534 T C 0.212 175.013 174.700 0.168 0.000 0.978 534 T CA -0.260 61.955 62.100 0.192 0.000 1.152 534 T CB 0.547 69.493 68.868 0.131 0.000 0.914 534 T HN 0.553 nan 8.240 nan 0.000 0.539 535 A N 3.695 126.540 122.820 0.041 0.000 2.301 535 A HA 0.677 4.997 4.320 -0.000 0.000 0.312 535 A C -0.351 177.137 177.584 -0.159 0.000 1.182 535 A CA -0.611 51.299 52.037 -0.212 0.000 0.826 535 A CB 0.719 19.588 19.000 -0.218 0.000 1.134 535 A HN 0.675 nan 8.150 nan 0.000 0.501 536 V N 2.426 122.221 119.914 -0.199 0.000 2.531 536 V HA 0.738 4.858 4.120 -0.000 0.000 0.301 536 V C 0.031 176.052 176.094 -0.122 0.000 1.034 536 V CA 0.086 62.324 62.300 -0.105 0.000 0.865 536 V CB 1.481 33.301 31.823 -0.006 0.000 0.995 536 V HN 1.305 nan 8.190 nan 0.000 0.424 537 S N 2.572 118.211 115.700 -0.101 0.000 2.656 537 S HA 0.966 5.436 4.470 -0.000 0.000 0.273 537 S C 0.070 174.622 174.600 -0.080 0.000 1.168 537 S CA 0.131 58.270 58.200 -0.103 0.000 0.817 537 S CB 1.607 64.725 63.200 -0.135 0.000 1.146 537 S HN 2.226 nan 8.310 nan 0.000 0.475 538 G N 1.325 110.072 108.800 -0.087 0.000 2.512 538 G HA2 0.101 4.061 3.960 -0.000 0.000 0.254 538 G HA3 0.101 4.061 3.960 -0.000 0.000 0.254 538 G C 1.087 175.960 174.900 -0.045 0.000 1.199 538 G CA 1.020 46.078 45.100 -0.069 0.000 0.941 538 G HN 1.992 nan 8.290 nan 0.000 0.569 539 A N -0.874 121.923 122.820 -0.040 0.000 1.903 539 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 539 A C 1.976 179.546 177.584 -0.024 0.000 1.191 539 A CA 2.959 54.978 52.037 -0.029 0.000 0.638 539 A CB -0.813 18.169 19.000 -0.030 0.000 0.823 539 A HN 0.811 nan 8.150 nan 0.000 0.451 540 D N -0.632 119.749 120.400 -0.032 0.000 2.351 540 D HA -0.011 4.629 4.640 -0.000 0.000 0.216 540 D C 0.393 176.688 176.300 -0.009 0.000 0.968 540 D CA 0.568 54.549 54.000 -0.032 0.000 0.899 540 D CB -0.237 40.530 40.800 -0.055 0.000 0.907 540 D HN 0.494 nan 8.370 nan 0.000 0.514 541 I N 1.120 121.697 120.570 0.011 0.000 2.256 541 I HA 0.008 4.178 4.170 -0.000 0.000 0.294 541 I C 1.267 177.414 176.117 0.051 0.000 1.127 541 I CA -0.135 61.199 61.300 0.058 0.000 1.247 541 I CB 0.977 39.046 38.000 0.116 0.000 1.460 541 I HN -0.164 nan 8.210 nan 0.000 0.511 542 T N 2.771 117.343 114.554 0.031 0.000 2.699 542 T HA -0.123 4.227 4.350 -0.000 0.000 0.268 542 T C 0.802 175.527 174.700 0.041 0.000 1.036 542 T CA 1.542 63.655 62.100 0.021 0.000 1.147 542 T CB -0.079 68.793 68.868 0.005 0.000 0.862 542 T HN 0.715 nan 8.240 nan 0.000 0.446 543 S N -0.920 114.819 115.700 0.066 0.000 2.550 543 S HA 0.576 5.046 4.470 -0.000 0.000 0.270 543 S C -2.189 172.518 174.600 0.178 0.000 1.145 543 S CA -1.110 57.147 58.200 0.096 0.000 0.852 543 S CB 2.435 65.664 63.200 0.048 0.000 1.119 543 S HN 0.413 nan 8.310 nan 0.000 0.465 544 W N 2.873 124.160 121.300 -0.022 0.000 3.326 544 W HA 0.494 5.154 4.660 -0.000 0.000 0.333 544 W C -1.584 174.950 176.519 0.024 0.000 1.108 544 W CA -0.494 56.842 57.345 -0.014 0.000 1.245 544 W CB 1.552 30.991 29.460 -0.034 0.000 1.331 544 W HN 1.147 nan 8.180 nan 0.000 0.464 545 E N 1.536 121.819 120.200 0.138 0.000 2.458 545 E HA 0.237 4.587 4.350 -0.000 0.000 0.278 545 E C -0.264 176.414 176.600 0.130 0.000 1.004 545 E CA -0.649 55.872 56.400 0.201 0.000 0.823 545 E CB 1.784 31.549 29.700 0.109 0.000 1.396 545 E HN 0.152 nan 8.360 nan 0.000 0.463 546 D N 0.010 120.499 120.400 0.148 0.000 2.158 546 D HA -0.193 4.447 4.640 -0.000 0.000 0.197 546 D C 1.687 177.950 176.300 -0.062 0.000 0.995 546 D CA 2.768 56.822 54.000 0.090 0.000 0.846 546 D CB 0.159 40.982 40.800 0.039 0.000 0.941 546 D HN 0.583 nan 8.370 nan 0.000 0.456 547 T N -3.732 110.804 114.554 -0.030 0.000 3.001 547 T HA 0.125 4.475 4.350 -0.000 0.000 0.251 547 T C 0.590 175.327 174.700 0.062 0.000 1.040 547 T CA -0.437 61.607 62.100 -0.094 0.000 0.985 547 T CB 0.405 69.239 68.868 -0.057 0.000 1.011 547 T HN 0.117 nan 8.240 nan 0.000 0.509 548 Q N 0.128 119.987 119.800 0.099 0.000 2.309 548 Q HA 0.651 4.991 4.340 -0.000 0.000 0.273 548 Q C -2.074 173.823 176.000 -0.170 0.000 1.040 548 Q CA -0.896 54.916 55.803 0.015 0.000 0.834 548 Q CB 2.091 30.813 28.738 -0.027 0.000 1.345 548 Q HN 0.454 nan 8.270 nan 0.000 0.414 549 I N 2.669 123.051 120.570 -0.314 0.000 2.498 549 I HA 0.431 4.601 4.170 -0.000 0.000 0.290 549 I C -0.919 175.067 176.117 -0.218 0.000 1.032 549 I CA -0.942 60.103 61.300 -0.424 0.000 1.073 549 I CB 2.096 39.584 38.000 -0.853 0.000 1.251 549 I HN 0.345 nan 8.210 nan 0.000 0.426 550 K N 4.917 125.254 120.400 -0.104 0.000 2.367 550 K HA 0.654 4.974 4.320 -0.000 0.000 0.263 550 K C -1.312 175.275 176.600 -0.022 0.000 1.000 550 K CA -0.396 55.858 56.287 -0.055 0.000 0.891 550 K CB 1.695 34.180 32.500 -0.026 0.000 1.117 550 K HN 0.349 nan 8.250 nan 0.000 0.443 551 V N 3.364 123.264 119.914 -0.022 0.000 2.841 551 V HA 0.483 4.603 4.120 -0.000 0.000 0.310 551 V C -1.262 174.841 176.094 0.015 0.000 1.090 551 V CA -0.924 61.384 62.300 0.014 0.000 0.930 551 V CB 1.857 33.707 31.823 0.046 0.000 1.014 551 V HN 0.673 nan 8.190 nan 0.000 0.425 552 K N 5.797 126.187 120.400 -0.016 0.000 2.249 552 K HA 0.508 4.828 4.320 -0.000 0.000 0.280 552 K C -0.418 176.086 176.600 -0.160 0.000 1.033 552 K CA -0.308 55.944 56.287 -0.059 0.000 0.946 552 K CB 1.276 33.736 32.500 -0.068 0.000 1.005 552 K HN 0.595 nan 8.250 nan 0.000 0.469 553 I N 6.016 126.469 120.570 -0.196 0.000 2.598 553 I HA 0.010 4.180 4.170 -0.000 0.000 0.284 553 I C -1.578 174.242 176.117 -0.494 0.000 1.140 553 I CA -1.625 59.388 61.300 -0.479 0.000 1.420 553 I CB 0.178 38.062 38.000 -0.193 0.000 1.387 553 I HN 0.373 nan 8.210 nan 0.000 0.553 554 P HA 0.054 nan 4.420 nan 0.000 0.272 554 P C -0.616 176.491 177.300 -0.321 0.000 1.230 554 P CA -0.518 62.312 63.100 -0.452 0.000 0.788 554 P CB 0.842 32.254 31.700 -0.481 0.000 0.949 555 A N 2.681 125.385 122.820 -0.194 0.000 3.030 555 A HA 0.361 4.681 4.320 -0.000 0.000 0.273 555 A C 0.699 178.223 177.584 -0.101 0.000 1.841 555 A CA -0.279 51.684 52.037 -0.124 0.000 1.479 555 A CB -1.523 17.430 19.000 -0.079 0.000 1.048 555 A HN 0.411 nan 8.150 nan 0.000 0.612 556 V N -1.439 118.396 119.914 -0.131 0.000 2.994 556 V HA 0.891 5.011 4.120 -0.000 0.000 0.318 556 V C 0.605 176.718 176.094 0.033 0.000 1.085 556 V CA -0.869 61.396 62.300 -0.058 0.000 0.998 556 V CB 0.955 32.681 31.823 -0.162 0.000 1.063 556 V HN 0.985 nan 8.190 nan 0.000 0.447 557 A N 1.549 124.451 122.820 0.136 0.000 2.520 557 A HA 0.552 4.872 4.320 -0.000 0.000 0.235 557 A C 0.990 178.709 177.584 0.226 0.000 1.065 557 A CA 0.436 52.564 52.037 0.152 0.000 0.764 557 A CB -0.552 18.538 19.000 0.150 0.000 1.002 557 A HN 2.064 nan 8.150 nan 0.000 0.502 558 G N 0.059 108.949 108.800 0.149 0.000 2.414 558 G HA2 0.567 4.527 3.960 -0.000 0.000 0.236 558 G HA3 0.567 4.527 3.960 -0.000 0.000 0.236 558 G C 0.458 175.481 174.900 0.206 0.000 1.293 558 G CA 0.595 45.791 45.100 0.160 0.000 0.869 558 G HN 1.962 nan 8.290 nan 0.000 0.556 559 G N 0.458 109.409 108.800 0.252 0.000 2.343 559 G HA2 0.269 4.229 3.960 -0.000 0.000 0.289 559 G HA3 0.269 4.229 3.960 -0.000 0.000 0.289 559 G C -1.361 173.637 174.900 0.163 0.000 1.295 559 G CA -0.887 44.289 45.100 0.128 0.000 0.869 559 G HN 0.807 nan 8.290 nan 0.000 0.522 560 N N -0.392 118.289 118.700 -0.031 0.000 2.425 560 N HA 0.695 5.435 4.740 -0.000 0.000 0.268 560 N C -1.367 174.112 175.510 -0.051 0.000 0.991 560 N CA -0.281 52.797 53.050 0.047 0.000 0.931 560 N CB 0.672 39.160 38.487 0.002 0.000 1.130 560 N HN 0.427 nan 8.380 nan 0.000 0.493 561 Y N 0.673 121.101 120.300 0.215 0.000 2.524 561 Y HA 0.405 4.955 4.550 -0.000 0.000 0.344 561 Y C 0.239 176.253 175.900 0.191 0.000 1.012 561 Y CA -0.933 57.302 58.100 0.225 0.000 1.068 561 Y CB 1.442 40.100 38.460 0.330 0.000 1.249 561 Y HN 0.421 nan 8.280 nan 0.000 0.468 562 N N 1.582 120.441 118.700 0.265 0.000 2.438 562 N HA 0.443 5.183 4.740 -0.000 0.000 0.282 562 N C -1.452 174.110 175.510 0.086 0.000 1.037 562 N CA -0.550 52.592 53.050 0.153 0.000 0.942 562 N CB 0.947 39.489 38.487 0.091 0.000 1.136 562 N HN 0.286 nan 8.380 nan 0.000 0.481 563 I N 2.407 122.985 120.570 0.013 0.000 2.353 563 I HA 0.298 4.468 4.170 -0.000 0.000 0.293 563 I C 0.169 176.245 176.117 -0.069 0.000 0.992 563 I CA -0.106 61.087 61.300 -0.180 0.000 1.268 563 I CB 1.042 38.831 38.000 -0.351 0.000 1.387 563 I HN 0.469 nan 8.210 nan 0.000 0.478 564 K N 5.408 125.768 120.400 -0.066 0.000 2.532 564 K HA 0.831 5.151 4.320 -0.000 0.000 0.265 564 K C -1.651 175.016 176.600 0.111 0.000 0.948 564 K CA -0.680 55.619 56.287 0.019 0.000 0.842 564 K CB 2.408 34.905 32.500 -0.004 0.000 1.392 564 K HN 0.401 nan 8.250 nan 0.000 0.436 565 V N -1.438 118.545 119.914 0.115 0.000 3.141 565 V HA 1.003 5.123 4.120 -0.000 0.000 0.312 565 V C -1.349 174.913 176.094 0.280 0.000 1.157 565 V CA -0.764 61.648 62.300 0.186 0.000 1.041 565 V CB 1.584 33.358 31.823 -0.082 0.000 1.071 565 V HN 0.923 nan 8.190 nan 0.000 0.441 566 A N 1.968 125.011 122.820 0.372 0.000 2.455 566 A HA 0.828 5.148 4.320 -0.000 0.000 0.300 566 A C -0.413 177.354 177.584 0.306 0.000 1.040 566 A CA -0.581 51.640 52.037 0.307 0.000 0.697 566 A CB 1.258 20.447 19.000 0.315 0.000 1.265 566 A HN 1.418 nan 8.150 nan 0.000 0.407 567 N N 1.417 120.277 118.700 0.266 0.000 2.294 567 N HA 0.400 5.140 4.740 -0.000 0.000 0.248 567 N C 1.204 176.719 175.510 0.008 0.000 1.300 567 N CA 0.165 53.347 53.050 0.220 0.000 0.925 567 N CB 0.293 38.917 38.487 0.228 0.000 1.188 567 N HN 0.728 nan 8.380 nan 0.000 0.512 568 A N -0.659 122.106 122.820 -0.091 0.000 1.978 568 A HA -0.062 4.258 4.320 -0.000 0.000 0.220 568 A C 2.118 179.672 177.584 -0.051 0.000 1.170 568 A CA 2.098 54.054 52.037 -0.134 0.000 0.636 568 A CB -1.546 17.365 19.000 -0.147 0.000 0.810 568 A HN 0.868 nan 8.150 nan 0.000 0.448 569 A N -2.070 120.747 122.820 -0.005 0.000 2.121 569 A HA 0.347 4.667 4.320 -0.000 0.000 0.218 569 A C 1.959 179.557 177.584 0.023 0.000 1.154 569 A CA 1.531 53.574 52.037 0.010 0.000 0.679 569 A CB -0.797 18.218 19.000 0.025 0.000 0.795 569 A HN 1.933 nan 8.150 nan 0.000 0.458 570 G N -2.248 106.576 108.800 0.040 0.000 2.163 570 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.213 570 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.213 570 G C 0.271 175.215 174.900 0.073 0.000 0.991 570 G CA 0.217 45.353 45.100 0.061 0.000 0.653 570 G HN 0.593 nan 8.290 nan 0.000 0.518 571 T N 1.787 116.387 114.554 0.077 0.000 2.779 571 T HA 0.601 4.951 4.350 -0.000 0.000 0.296 571 T C 0.768 175.525 174.700 0.096 0.000 0.938 571 T CA 0.632 62.775 62.100 0.072 0.000 1.119 571 T CB 1.494 70.403 68.868 0.069 0.000 0.891 571 T HN 1.258 nan 8.240 nan 0.000 0.526 572 A N 3.667 126.523 122.820 0.060 0.000 2.322 572 A HA 0.644 4.964 4.320 -0.000 0.000 0.269 572 A C 0.856 178.476 177.584 0.060 0.000 1.094 572 A CA -0.715 51.352 52.037 0.050 0.000 0.807 572 A CB 0.326 19.305 19.000 -0.035 0.000 1.047 572 A HN 0.874 nan 8.150 nan 0.000 0.487 573 S N 1.732 117.480 115.700 0.080 0.000 2.690 573 S HA 0.414 4.884 4.470 -0.000 0.000 0.285 573 S C 0.273 174.903 174.600 0.051 0.000 1.135 573 S CA -0.558 57.694 58.200 0.086 0.000 1.020 573 S CB 0.291 63.583 63.200 0.153 0.000 1.159 573 S HN 0.929 nan 8.310 nan 0.000 0.534 574 N N -0.240 118.496 118.700 0.059 0.000 2.354 574 N HA 0.192 4.932 4.740 -0.000 0.000 0.246 574 N C -0.664 174.890 175.510 0.072 0.000 1.285 574 N CA -0.464 52.618 53.050 0.053 0.000 0.925 574 N CB 0.095 38.620 38.487 0.063 0.000 1.174 574 N HN 0.440 nan 8.380 nan 0.000 0.478 575 V N 0.589 120.540 119.914 0.061 0.000 2.472 575 V HA 0.169 4.289 4.120 -0.000 0.000 0.290 575 V C -0.969 175.192 176.094 0.112 0.000 1.037 575 V CA -0.683 61.658 62.300 0.069 0.000 0.908 575 V CB 0.423 32.265 31.823 0.032 0.000 0.985 575 V HN 0.651 nan 8.190 nan 0.000 0.454 576 Y N 5.423 125.720 120.300 -0.006 0.000 2.478 576 Y HA 0.362 4.912 4.550 -0.000 0.000 0.329 576 Y C 0.447 176.356 175.900 0.015 0.000 0.967 576 Y CA -1.093 57.007 58.100 -0.000 0.000 1.255 576 Y CB 0.538 38.980 38.460 -0.031 0.000 1.103 576 Y HN 0.859 nan 8.280 nan 0.000 0.497 577 D N 2.061 122.445 120.400 -0.027 0.000 2.478 577 D HA 0.125 4.765 4.640 -0.000 0.000 0.269 577 D C 0.075 176.416 176.300 0.069 0.000 1.232 577 D CA -0.383 53.642 54.000 0.041 0.000 1.059 577 D CB 0.704 41.503 40.800 -0.001 0.000 1.104 577 D HN 0.559 nan 8.370 nan 0.000 0.566 578 N N -2.489 116.269 118.700 0.097 0.000 2.818 578 N HA -0.227 4.513 4.740 -0.000 0.000 0.250 578 N C -1.286 174.318 175.510 0.157 0.000 1.108 578 N CA 0.192 53.297 53.050 0.090 0.000 0.745 578 N CB -2.015 36.487 38.487 0.025 0.000 1.104 578 N HN 0.422 nan 8.380 nan 0.000 0.557 579 F N 1.794 121.821 119.950 0.128 0.000 2.424 579 F HA 0.346 4.873 4.527 -0.000 0.000 0.356 579 F C 0.676 176.594 175.800 0.197 0.000 1.110 579 F CA -0.531 57.563 58.000 0.158 0.000 1.161 579 F CB 0.696 39.797 39.000 0.167 0.000 1.115 579 F HN 0.156 nan 8.300 nan 0.000 0.507 580 E N 6.008 125.883 120.200 -0.541 0.000 2.081 580 E HA 0.379 4.729 4.350 -0.000 0.000 0.276 580 E C -1.508 174.869 176.600 -0.372 0.000 0.950 580 E CA -0.693 55.539 56.400 -0.280 0.000 0.776 580 E CB 1.094 30.677 29.700 -0.194 0.000 1.094 580 E HN 0.505 nan 8.360 nan 0.000 0.402 581 V N 6.647 126.587 119.914 0.043 0.000 2.432 581 V HA 0.168 4.288 4.120 -0.000 0.000 0.271 581 V C 0.515 176.642 176.094 0.054 0.000 1.046 581 V CA -0.396 61.964 62.300 0.099 0.000 0.945 581 V CB 0.691 32.614 31.823 0.167 0.000 0.992 581 V HN 0.717 nan 8.190 nan 0.000 0.471 582 L N 3.644 124.868 121.223 0.002 0.000 2.466 582 L HA 0.256 4.596 4.340 -0.000 0.000 0.257 582 L C 1.408 178.290 176.870 0.020 0.000 1.189 582 L CA -0.054 54.788 54.840 0.002 0.000 0.813 582 L CB 0.864 42.911 42.059 -0.019 0.000 1.118 582 L HN 0.622 nan 8.230 nan 0.000 0.471 583 S N 0.137 115.848 115.700 0.019 0.000 2.603 583 S HA 0.296 4.766 4.470 -0.000 0.000 0.220 583 S C 0.466 175.071 174.600 0.009 0.000 0.967 583 S CA 0.443 58.655 58.200 0.020 0.000 0.920 583 S CB 0.066 63.278 63.200 0.019 0.000 0.773 583 S HN 0.939 nan 8.310 nan 0.000 0.529 584 G N 0.669 109.472 108.800 0.004 0.000 2.352 584 G HA2 0.101 4.061 3.960 -0.000 0.000 0.283 584 G HA3 0.101 4.061 3.960 -0.000 0.000 0.283 584 G C -2.195 172.705 174.900 -0.001 0.000 1.308 584 G CA -1.020 44.080 45.100 0.000 0.000 0.892 584 G HN 0.068 nan 8.290 nan 0.000 0.504 585 D N 0.803 121.203 120.400 -0.001 0.000 2.400 585 D HA 0.331 4.971 4.640 -0.000 0.000 0.238 585 D C 0.170 176.471 176.300 0.001 0.000 1.157 585 D CA 0.538 54.536 54.000 -0.003 0.000 0.889 585 D CB 0.681 41.480 40.800 -0.001 0.000 1.199 585 D HN 0.293 nan 8.370 nan 0.000 0.436 586 Q N 0.248 120.045 119.800 -0.005 0.000 2.306 586 Q HA 0.560 4.900 4.340 -0.000 0.000 0.265 586 Q C -0.370 175.646 176.000 0.026 0.000 1.022 586 Q CA -0.975 54.833 55.803 0.009 0.000 0.853 586 Q CB 2.298 31.030 28.738 -0.010 0.000 1.327 586 Q HN 0.318 nan 8.270 nan 0.000 0.449 587 V N -2.001 117.952 119.914 0.065 0.000 2.876 587 V HA 0.643 4.763 4.120 -0.000 0.000 0.312 587 V C -0.264 175.916 176.094 0.145 0.000 1.085 587 V CA -0.943 61.417 62.300 0.101 0.000 0.945 587 V CB 1.998 33.884 31.823 0.105 0.000 1.017 587 V HN 0.676 nan 8.190 nan 0.000 0.428 588 S N 2.253 118.070 115.700 0.196 0.000 2.439 588 S HA 0.673 5.143 4.470 -0.000 0.000 0.282 588 S C -0.505 174.232 174.600 0.229 0.000 1.170 588 S CA -0.306 58.051 58.200 0.261 0.000 1.054 588 S CB 0.427 63.901 63.200 0.456 0.000 0.956 588 S HN 0.835 nan 8.310 nan 0.000 0.490 589 V N 6.597 126.638 119.914 0.211 0.000 2.540 589 V HA 0.497 4.617 4.120 -0.000 0.000 0.302 589 V C 0.221 176.358 176.094 0.073 0.000 1.035 589 V CA -0.964 61.380 62.300 0.074 0.000 0.873 589 V CB 1.672 33.468 31.823 -0.045 0.000 0.992 589 V HN 0.840 nan 8.190 nan 0.000 0.428 590 R N 3.696 124.190 120.500 -0.010 0.000 2.234 590 R HA 0.486 4.826 4.340 -0.000 0.000 0.324 590 R C -1.507 174.724 176.300 -0.115 0.000 1.054 590 R CA -0.279 55.870 56.100 0.082 0.000 0.912 590 R CB 0.484 30.860 30.300 0.127 0.000 1.030 590 R HN 0.498 nan 8.270 nan 0.000 0.455 591 F N 3.860 123.826 119.950 0.028 0.000 2.420 591 F HA 0.396 4.923 4.527 -0.000 0.000 0.342 591 F C -0.208 175.626 175.800 0.057 0.000 1.113 591 F CA -0.636 57.374 58.000 0.016 0.000 1.059 591 F CB 2.002 41.048 39.000 0.078 0.000 1.128 591 F HN 0.106 nan 8.300 nan 0.000 0.475 592 V N 4.291 124.263 119.914 0.097 0.000 2.577 592 V HA 0.502 4.621 4.120 -0.000 0.000 0.303 592 V C -1.008 174.990 176.094 -0.160 0.000 1.042 592 V CA -0.895 61.328 62.300 -0.129 0.000 0.872 592 V CB 2.009 33.558 31.823 -0.456 0.000 0.998 592 V HN 0.529 nan 8.190 nan 0.000 0.423 593 V N 5.675 125.402 119.914 -0.313 0.000 2.448 593 V HA 0.604 4.724 4.120 -0.000 0.000 0.295 593 V C -0.459 175.546 176.094 -0.149 0.000 1.025 593 V CA -0.450 61.574 62.300 -0.460 0.000 0.859 593 V CB 1.866 32.941 31.823 -1.247 0.000 0.988 593 V HN 0.925 nan 8.190 nan 0.000 0.431 594 N N 4.603 123.269 118.700 -0.056 0.000 2.509 594 N HA 0.270 5.010 4.740 -0.000 0.000 0.287 594 N C 0.166 175.705 175.510 0.047 0.000 1.121 594 N CA -0.162 52.893 53.050 0.008 0.000 0.977 594 N CB 0.881 39.380 38.487 0.020 0.000 1.167 594 N HN 0.869 nan 8.380 nan 0.000 0.476 595 N N 0.004 118.702 118.700 -0.003 0.000 2.688 595 N HA -0.251 4.489 4.740 -0.000 0.000 0.258 595 N C -1.446 174.010 175.510 -0.092 0.000 1.016 595 N CA 0.527 53.547 53.050 -0.049 0.000 0.747 595 N CB -0.777 37.715 38.487 0.007 0.000 0.895 595 N HN 0.645 nan 8.380 nan 0.000 0.543 596 A N 1.169 123.896 122.820 -0.155 0.000 2.654 596 A HA 0.500 4.820 4.320 -0.000 0.000 0.345 596 A C 0.680 178.072 177.584 -0.320 0.000 1.368 596 A CA 0.021 51.789 52.037 -0.448 0.000 0.895 596 A CB -0.043 18.656 19.000 -0.502 0.000 1.143 596 A HN 0.584 nan 8.150 nan 0.000 0.490 597 T N 0.380 114.742 114.554 -0.321 0.000 2.918 597 T HA 0.597 4.947 4.350 -0.000 0.000 0.302 597 T C 0.367 175.079 174.700 0.021 0.000 1.045 597 T CA 0.387 62.447 62.100 -0.066 0.000 1.114 597 T CB 0.946 69.806 68.868 -0.015 0.000 0.965 597 T HN 1.067 nan 8.240 nan 0.000 0.540 598 T N -1.462 113.279 114.554 0.311 0.000 2.787 598 T HA 0.759 5.109 4.350 -0.000 0.000 0.297 598 T C -0.548 174.243 174.700 0.152 0.000 1.221 598 T CA -0.833 61.371 62.100 0.173 0.000 1.006 598 T CB 1.292 70.293 68.868 0.221 0.000 1.328 598 T HN 1.110 nan 8.240 nan 0.000 0.509 599 A N 0.880 123.749 122.820 0.081 0.000 2.294 599 A HA 0.766 5.086 4.320 -0.000 0.000 0.330 599 A C 0.170 177.781 177.584 0.045 0.000 1.133 599 A CA -1.051 51.016 52.037 0.050 0.000 0.836 599 A CB 0.301 19.323 19.000 0.036 0.000 1.190 599 A HN 0.951 nan 8.150 nan 0.000 0.492 600 L N 1.267 122.500 121.223 0.017 0.000 2.601 600 L HA 0.256 4.596 4.340 -0.000 0.000 0.277 600 L C 1.543 178.435 176.870 0.037 0.000 1.219 600 L CA 1.605 56.454 54.840 0.014 0.000 0.915 600 L CB -0.095 41.963 42.059 -0.003 0.000 1.160 600 L HN 1.273 nan 8.230 nan 0.000 0.494 601 G N 2.277 111.111 108.800 0.057 0.000 2.254 601 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.225 601 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.225 601 G C 0.204 175.155 174.900 0.085 0.000 1.003 601 G CA 0.072 45.212 45.100 0.066 0.000 0.622 601 G HN 0.585 nan 8.290 nan 0.000 0.507 602 Q N 1.068 120.920 119.800 0.086 0.000 2.256 602 Q HA 0.572 4.912 4.340 -0.000 0.000 0.254 602 Q C -0.553 175.508 176.000 0.102 0.000 0.916 602 Q CA -0.579 55.270 55.803 0.077 0.000 0.932 602 Q CB 0.438 29.201 28.738 0.042 0.000 1.207 602 Q HN 0.430 nan 8.270 nan 0.000 0.426 603 N N 1.899 120.641 118.700 0.070 0.000 2.312 603 N HA 0.399 5.139 4.740 -0.000 0.000 0.296 603 N C -1.326 173.982 175.510 -0.337 0.000 1.193 603 N CA -0.483 52.512 53.050 -0.091 0.000 0.773 603 N CB 2.111 40.609 38.487 0.017 0.000 1.435 603 N HN 0.300 nan 8.380 nan 0.000 0.484 604 V N 1.878 121.208 119.914 -0.974 0.000 2.509 604 V HA 0.398 4.518 4.120 -0.000 0.000 0.284 604 V C -0.873 174.948 176.094 -0.454 0.000 1.047 604 V CA -0.118 61.742 62.300 -0.733 0.000 0.952 604 V CB 0.213 31.259 31.823 -1.295 0.000 0.988 604 V HN 0.518 nan 8.190 nan 0.000 0.469 605 Y N 3.278 123.470 120.300 -0.180 0.000 2.634 605 Y HA 0.721 5.271 4.550 -0.000 0.000 0.340 605 Y C -0.355 175.520 175.900 -0.041 0.000 1.058 605 Y CA -1.152 56.860 58.100 -0.148 0.000 1.081 605 Y CB 1.857 40.204 38.460 -0.188 0.000 1.295 605 Y HN 0.509 nan 8.280 nan 0.000 0.487 606 L N 1.030 122.259 121.223 0.011 0.000 2.341 606 L HA 0.798 5.138 4.340 -0.000 0.000 0.278 606 L C -0.506 176.217 176.870 -0.244 0.000 1.005 606 L CA 0.011 54.730 54.840 -0.203 0.000 0.818 606 L CB 1.804 43.648 42.059 -0.358 0.000 1.259 606 L HN 0.668 nan 8.230 nan 0.000 0.418 607 T N 2.968 117.357 114.554 -0.275 0.000 2.900 607 T HA 0.926 5.276 4.350 -0.000 0.000 0.295 607 T C -0.508 173.942 174.700 -0.416 0.000 1.044 607 T CA 0.060 62.011 62.100 -0.250 0.000 0.995 607 T CB 1.367 70.172 68.868 -0.105 0.000 1.072 607 T HN 1.026 nan 8.240 nan 0.000 0.473 608 G N 0.452 108.821 108.800 -0.718 0.000 2.663 608 G HA2 0.455 4.415 3.960 -0.000 0.000 0.299 608 G HA3 0.455 4.415 3.960 -0.000 0.000 0.299 608 G C 0.366 174.413 174.900 -1.422 0.000 1.372 608 G CA 0.016 44.476 45.100 -1.066 0.000 0.781 608 G HN 0.939 nan 8.290 nan 0.000 0.491 609 S N -1.432 113.746 115.700 -0.871 0.000 2.701 609 S HA 0.338 4.808 4.470 -0.000 0.000 0.220 609 S C 0.664 175.165 174.600 -0.166 0.000 0.954 609 S CA 0.507 58.469 58.200 -0.396 0.000 0.936 609 S CB -0.867 62.416 63.200 0.138 0.000 0.777 609 S HN 1.654 nan 8.310 nan 0.000 0.518 610 V N -1.800 117.994 119.914 -0.200 0.000 3.040 610 V HA 0.667 4.786 4.120 -0.000 0.000 0.312 610 V C 1.162 177.200 176.094 -0.094 0.000 1.115 610 V CA -0.407 61.841 62.300 -0.087 0.000 0.998 610 V CB 1.138 32.935 31.823 -0.042 0.000 1.042 610 V HN 0.209 nan 8.190 nan 0.000 0.433 611 S N 0.292 115.970 115.700 -0.036 0.000 2.400 611 S HA -0.199 4.271 4.470 -0.000 0.000 0.232 611 S C 1.300 175.877 174.600 -0.038 0.000 1.025 611 S CA 1.703 59.887 58.200 -0.026 0.000 0.993 611 S CB -0.628 62.583 63.200 0.018 0.000 0.808 611 S HN 0.904 nan 8.310 nan 0.000 0.478 612 E N 0.655 120.835 120.200 -0.032 0.000 2.333 612 E HA 0.085 4.435 4.350 -0.000 0.000 0.198 612 E C 0.977 177.540 176.600 -0.062 0.000 1.007 612 E CA 0.537 56.922 56.400 -0.026 0.000 0.845 612 E CB -0.194 29.507 29.700 0.002 0.000 0.766 612 E HN 0.395 nan 8.360 nan 0.000 0.507 613 L N -1.378 119.776 121.223 -0.116 0.000 2.857 613 L HA 0.347 4.687 4.340 -0.000 0.000 0.249 613 L C 1.159 177.921 176.870 -0.181 0.000 1.172 613 L CA 0.571 55.298 54.840 -0.188 0.000 0.980 613 L CB 0.589 42.479 42.059 -0.282 0.000 1.299 613 L HN 0.170 nan 8.230 nan 0.000 0.535 614 G N -0.270 108.459 108.800 -0.119 0.000 2.159 614 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.256 614 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.256 614 G C 0.540 175.398 174.900 -0.069 0.000 0.977 614 G CA 0.102 45.154 45.100 -0.080 0.000 0.652 614 G HN 0.290 nan 8.290 nan 0.000 0.531 615 N N -0.965 117.648 118.700 -0.145 0.000 2.686 615 N HA -0.236 4.504 4.740 -0.000 0.000 0.261 615 N C 0.945 176.493 175.510 0.064 0.000 1.001 615 N CA 1.865 54.840 53.050 -0.124 0.000 0.764 615 N CB -1.563 36.930 38.487 0.011 0.000 0.898 615 N HN 1.227 nan 8.380 nan 0.000 0.544 616 W N -2.935 118.434 121.300 0.114 0.000 2.902 616 W HA -0.265 4.395 4.660 -0.000 0.000 0.278 616 W C 0.397 177.057 176.519 0.235 0.000 1.066 616 W CA 0.453 57.932 57.345 0.223 0.000 0.570 616 W CB -1.332 28.250 29.460 0.203 0.000 2.092 616 W HN 0.290 nan 8.180 nan 0.000 1.423 617 D N 0.229 120.786 120.400 0.263 0.000 2.347 617 D HA 0.187 4.827 4.640 -0.000 0.000 0.235 617 D C -1.028 175.321 176.300 0.082 0.000 1.149 617 D CA -2.085 52.023 54.000 0.180 0.000 0.850 617 D CB 1.236 42.094 40.800 0.096 0.000 1.061 617 D HN -0.192 nan 8.370 nan 0.000 0.487 618 P HA -0.152 nan 4.420 nan 0.000 0.217 618 P C 0.889 178.108 177.300 -0.136 0.000 1.148 618 P CA 1.289 64.327 63.100 -0.102 0.000 0.828 618 P CB 0.265 31.912 31.700 -0.088 0.000 0.783 619 A N -0.534 122.247 122.820 -0.064 0.000 2.067 619 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 619 A C 1.675 179.221 177.584 -0.064 0.000 1.158 619 A CA 1.362 53.356 52.037 -0.071 0.000 0.661 619 A CB -0.659 18.323 19.000 -0.030 0.000 0.801 619 A HN 0.212 nan 8.150 nan 0.000 0.452 620 K N -0.206 120.165 120.400 -0.048 0.000 2.514 620 K HA 0.445 4.765 4.320 -0.000 0.000 0.207 620 K C 0.189 176.759 176.600 -0.048 0.000 1.035 620 K CA 0.090 56.355 56.287 -0.036 0.000 1.113 620 K CB 0.654 33.141 32.500 -0.023 0.000 0.846 620 K HN 0.371 nan 8.250 nan 0.000 0.491 621 A N 1.363 124.136 122.820 -0.078 0.000 2.425 621 A HA 0.237 4.557 4.320 -0.000 0.000 0.242 621 A C 0.189 177.784 177.584 0.019 0.000 1.077 621 A CA -0.285 51.709 52.037 -0.071 0.000 0.781 621 A CB 0.189 19.108 19.000 -0.135 0.000 1.020 621 A HN 0.156 nan 8.150 nan 0.000 0.494 622 I N 1.681 122.235 120.570 -0.026 0.000 2.416 622 I HA 0.541 4.711 4.170 -0.000 0.000 0.288 622 I C 1.000 177.000 176.117 -0.195 0.000 1.051 622 I CA 1.285 62.544 61.300 -0.069 0.000 1.375 622 I CB -0.350 37.580 38.000 -0.117 0.000 1.407 622 I HN 1.010 nan 8.210 nan 0.000 0.516 623 G N 8.443 117.016 108.800 -0.378 0.000 2.320 623 G HA2 0.083 4.043 3.960 -0.000 0.000 0.274 623 G HA3 0.083 4.043 3.960 -0.000 0.000 0.274 623 G C -3.128 171.475 174.900 -0.494 0.000 1.324 623 G CA -0.835 43.748 45.100 -0.861 0.000 0.957 623 G HN 0.429 nan 8.290 nan 0.000 0.481 624 P HA 0.315 nan 4.420 nan 0.000 0.268 624 P C 0.194 176.995 177.300 -0.832 0.000 1.205 624 P CA 0.139 62.586 63.100 -1.088 0.000 0.771 624 P CB 0.497 31.892 31.700 -0.508 0.000 0.858 625 M N 2.016 121.213 119.600 -0.673 0.000 2.157 625 M HA 0.183 4.663 4.480 -0.000 0.000 0.304 625 M C 0.168 176.458 176.300 -0.016 0.000 1.171 625 M CA 0.200 55.266 55.300 -0.391 0.000 1.157 625 M CB 0.027 32.592 32.600 -0.059 0.000 1.403 625 M HN 0.279 nan 8.290 nan 0.000 0.473 626 Y N 0.704 120.986 120.300 -0.030 0.000 2.488 626 Y HA 0.320 4.870 4.550 -0.000 0.000 0.325 626 Y C 0.438 176.163 175.900 -0.293 0.000 1.204 626 Y CA -1.450 56.483 58.100 -0.278 0.000 1.229 626 Y CB 0.583 38.650 38.460 -0.655 0.000 1.274 626 Y HN 0.703 nan 8.280 nan 0.000 0.493 627 N N -1.709 116.958 118.700 -0.055 0.000 2.423 627 N HA 0.088 4.828 4.740 -0.000 0.000 0.262 627 N C -0.203 175.287 175.510 -0.033 0.000 1.467 627 N CA -0.114 52.847 53.050 -0.149 0.000 0.847 627 N CB 0.227 38.203 38.487 -0.851 0.000 1.394 627 N HN 0.434 nan 8.380 nan 0.000 0.495 628 Q N -0.329 119.520 119.800 0.082 0.000 2.586 628 Q HA 0.333 4.673 4.340 -0.000 0.000 0.243 628 Q C 1.400 177.395 176.000 -0.009 0.000 0.846 628 Q CA 0.805 56.609 55.803 0.002 0.000 0.959 628 Q CB 0.562 29.272 28.738 -0.047 0.000 1.227 628 Q HN 0.193 nan 8.270 nan 0.000 0.611 629 V N 0.518 120.442 119.914 0.017 0.000 2.300 629 V HA -0.078 4.042 4.120 -0.000 0.000 0.233 629 V C 2.343 178.270 176.094 -0.278 0.000 1.052 629 V CA 1.326 63.563 62.300 -0.104 0.000 1.026 629 V CB -0.805 30.971 31.823 -0.079 0.000 0.661 629 V HN -0.002 nan 8.190 nan 0.000 0.470 630 V N -1.599 117.987 119.914 -0.545 0.000 2.358 630 V HA -0.114 4.006 4.120 -0.000 0.000 0.246 630 V C 0.699 176.219 176.094 -0.956 0.000 1.047 630 V CA 1.521 63.303 62.300 -0.864 0.000 1.035 630 V CB -0.654 30.442 31.823 -1.212 0.000 0.658 630 V HN 0.495 nan 8.190 nan 0.000 0.452 631 Y N -1.424 118.473 120.300 -0.672 0.000 2.545 631 Y HA 0.686 5.236 4.550 -0.000 0.000 0.348 631 Y C -0.237 175.606 175.900 -0.096 0.000 1.002 631 Y CA -1.274 56.652 58.100 -0.290 0.000 1.039 631 Y CB 1.659 39.998 38.460 -0.202 0.000 1.271 631 Y HN -0.003 nan 8.280 nan 0.000 0.467 632 Q N 0.781 120.618 119.800 0.062 0.000 2.342 632 Q HA 0.312 4.652 4.340 -0.000 0.000 0.267 632 Q C -1.331 174.660 176.000 -0.016 0.000 1.038 632 Q CA -0.969 54.841 55.803 0.011 0.000 0.832 632 Q CB 1.566 30.295 28.738 -0.015 0.000 1.323 632 Q HN 0.573 nan 8.270 nan 0.000 0.448 633 Y N 4.457 124.619 120.300 -0.230 0.000 2.890 633 Y HA -0.022 4.528 4.550 -0.000 0.000 0.341 633 Y C -1.179 174.652 175.900 -0.114 0.000 1.269 633 Y CA -0.686 57.235 58.100 -0.298 0.000 1.517 633 Y CB 0.661 38.904 38.460 -0.361 0.000 1.314 633 Y HN 0.591 nan 8.280 nan 0.000 0.622 634 P HA -0.021 nan 4.420 nan 0.000 0.258 634 P C -1.019 176.077 177.300 -0.339 0.000 1.319 634 P CA 0.427 62.888 63.100 -1.065 0.000 0.785 634 P CB -0.037 31.194 31.700 -0.783 0.000 1.252 635 N N 0.564 119.142 118.700 -0.203 0.000 2.438 635 N HA 0.204 4.944 4.740 -0.000 0.000 0.282 635 N C -0.656 174.843 175.510 -0.018 0.000 1.037 635 N CA -0.004 53.042 53.050 -0.006 0.000 0.942 635 N CB 0.678 39.192 38.487 0.045 0.000 1.136 635 N HN 0.043 nan 8.380 nan 0.000 0.481 636 W N 1.810 123.078 121.300 -0.052 0.000 2.781 636 W HA 0.465 5.125 4.660 -0.000 0.000 0.345 636 W C -0.250 176.293 176.519 0.040 0.000 1.085 636 W CA -0.685 56.672 57.345 0.019 0.000 1.198 636 W CB 0.622 30.032 29.460 -0.084 0.000 1.423 636 W HN 0.415 nan 8.180 nan 0.000 0.532 637 Y N -0.191 120.220 120.300 0.185 0.000 2.615 637 Y HA 0.815 5.365 4.550 -0.000 0.000 0.341 637 Y C -1.980 174.097 175.900 0.294 0.000 1.089 637 Y CA -2.644 55.523 58.100 0.113 0.000 1.049 637 Y CB 1.619 40.067 38.460 -0.020 0.000 1.296 637 Y HN 0.484 nan 8.280 nan 0.000 0.470 638 Y N 0.573 120.953 120.300 0.132 0.000 2.521 638 Y HA 0.333 4.883 4.550 -0.000 0.000 0.326 638 Y C -1.930 174.119 175.900 0.248 0.000 1.176 638 Y CA -1.371 56.753 58.100 0.040 0.000 1.079 638 Y CB 1.725 40.125 38.460 -0.101 0.000 1.341 638 Y HN 0.810 nan 8.280 nan 0.000 0.456 639 D N 4.060 124.433 120.400 -0.045 0.000 2.232 639 D HA 0.567 5.207 4.640 -0.000 0.000 0.242 639 D C -0.918 175.496 176.300 0.191 0.000 1.093 639 D CA 0.022 54.120 54.000 0.164 0.000 0.845 639 D CB 2.059 42.982 40.800 0.206 0.000 1.124 639 D HN 0.221 nan 8.370 nan 0.000 0.467 640 V N 1.002 121.111 119.914 0.326 0.000 2.735 640 V HA 0.304 4.424 4.120 -0.000 0.000 0.310 640 V C 0.240 176.490 176.094 0.260 0.000 1.061 640 V CA -0.946 61.530 62.300 0.294 0.000 0.913 640 V CB 2.108 34.078 31.823 0.245 0.000 1.005 640 V HN 0.486 nan 8.190 nan 0.000 0.428 641 S N 3.275 119.084 115.700 0.182 0.000 2.448 641 S HA 0.612 5.082 4.470 -0.000 0.000 0.279 641 S C -0.452 174.223 174.600 0.125 0.000 1.195 641 S CA -0.385 57.894 58.200 0.131 0.000 1.051 641 S CB 0.302 63.541 63.200 0.066 0.000 0.948 641 S HN 1.086 nan 8.310 nan 0.000 0.493 642 V N 3.110 123.113 119.914 0.148 0.000 3.040 642 V HA 0.811 4.931 4.120 -0.000 0.000 0.312 642 V C -2.817 173.332 176.094 0.091 0.000 1.115 642 V CA -2.859 59.526 62.300 0.140 0.000 0.998 642 V CB 1.781 33.761 31.823 0.262 0.000 1.042 642 V HN 0.668 nan 8.190 nan 0.000 0.433 643 P HA 0.215 nan 4.420 nan 0.000 0.266 643 P C 0.046 177.356 177.300 0.017 0.000 1.215 643 P CA 0.545 63.661 63.100 0.025 0.000 0.763 643 P CB 0.809 32.516 31.700 0.010 0.000 0.806 644 A N 3.745 126.576 122.820 0.018 0.000 2.540 644 A HA 0.393 4.713 4.320 -0.000 0.000 0.239 644 A C 1.639 179.217 177.584 -0.010 0.000 1.061 644 A CA 0.690 52.735 52.037 0.014 0.000 0.758 644 A CB -1.253 17.758 19.000 0.019 0.000 0.991 644 A HN 0.857 nan 8.150 nan 0.000 0.502 645 G N 1.354 110.140 108.800 -0.023 0.000 2.196 645 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.268 645 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.268 645 G C 0.295 175.153 174.900 -0.070 0.000 0.975 645 G CA 0.819 45.895 45.100 -0.040 0.000 0.648 645 G HN 0.750 nan 8.290 nan 0.000 0.538 646 K N 1.034 121.376 120.400 -0.096 0.000 2.174 646 K HA 0.476 4.796 4.320 -0.000 0.000 0.275 646 K C 0.224 176.700 176.600 -0.205 0.000 1.015 646 K CA -0.199 56.024 56.287 -0.108 0.000 0.933 646 K CB 1.095 33.551 32.500 -0.072 0.000 1.025 646 K HN 0.096 nan 8.250 nan 0.000 0.463 647 T N 3.755 118.224 114.554 -0.142 0.000 2.737 647 T HA 0.390 4.740 4.350 -0.000 0.000 0.296 647 T C 0.515 175.152 174.700 -0.104 0.000 0.922 647 T CA -0.251 61.755 62.100 -0.157 0.000 1.079 647 T CB -0.012 68.826 68.868 -0.050 0.000 0.892 647 T HN 0.290 nan 8.240 nan 0.000 0.514 648 I N 2.857 123.333 120.570 -0.158 0.000 2.474 648 I HA 0.389 4.559 4.170 -0.000 0.000 0.294 648 I C 0.343 176.686 176.117 0.378 0.000 1.005 648 I CA -0.869 60.475 61.300 0.073 0.000 1.113 648 I CB 2.231 40.280 38.000 0.081 0.000 1.289 648 I HN 0.466 nan 8.210 nan 0.000 0.436 649 E N 5.254 125.679 120.200 0.373 0.000 2.204 649 E HA 0.628 4.977 4.350 -0.000 0.000 0.276 649 E C -1.423 175.494 176.600 0.528 0.000 0.974 649 E CA -0.512 56.185 56.400 0.497 0.000 0.815 649 E CB 1.921 31.903 29.700 0.470 0.000 1.119 649 E HN 0.403 nan 8.360 nan 0.000 0.393 650 F N -0.106 120.031 119.950 0.312 0.000 2.711 650 F HA 0.675 5.202 4.527 -0.000 0.000 0.313 650 F C -1.136 174.827 175.800 0.271 0.000 1.141 650 F CA -1.133 56.931 58.000 0.106 0.000 0.941 650 F CB 1.255 40.200 39.000 -0.091 0.000 1.349 650 F HN 0.146 nan 8.300 nan 0.000 0.464 651 K N 0.417 120.918 120.400 0.169 0.000 2.555 651 K HA 0.627 4.947 4.320 -0.000 0.000 0.279 651 K C -2.078 174.383 176.600 -0.230 0.000 0.986 651 K CA -0.756 55.578 56.287 0.078 0.000 0.880 651 K CB 2.792 35.513 32.500 0.368 0.000 1.474 651 K HN 0.551 nan 8.250 nan 0.000 0.433 652 F N 1.197 121.212 119.950 0.108 0.000 2.483 652 F HA 0.577 5.104 4.527 -0.000 0.000 0.329 652 F C -0.055 175.793 175.800 0.080 0.000 1.064 652 F CA -0.753 57.316 58.000 0.115 0.000 0.986 652 F CB 1.058 40.213 39.000 0.259 0.000 1.218 652 F HN 0.053 nan 8.300 nan 0.000 0.484 653 L N 1.262 122.649 121.223 0.274 0.000 2.371 653 L HA 0.558 4.898 4.340 -0.000 0.000 0.262 653 L C -1.006 175.960 176.870 0.160 0.000 1.006 653 L CA -1.076 53.822 54.840 0.097 0.000 0.818 653 L CB 2.429 44.313 42.059 -0.290 0.000 1.354 653 L HN 0.470 nan 8.230 nan 0.000 0.415 654 K N 2.253 122.712 120.400 0.099 0.000 2.307 654 K HA 0.538 4.858 4.320 -0.000 0.000 0.263 654 K C -1.179 175.406 176.600 -0.025 0.000 0.973 654 K CA -0.683 55.581 56.287 -0.039 0.000 0.846 654 K CB 1.920 34.343 32.500 -0.129 0.000 1.100 654 K HN 0.416 nan 8.250 nan 0.000 0.438 655 K N 2.228 122.633 120.400 0.008 0.000 2.324 655 K HA 0.236 4.556 4.320 -0.000 0.000 0.253 655 K C -1.019 175.591 176.600 0.016 0.000 0.932 655 K CA -0.750 55.502 56.287 -0.058 0.000 0.799 655 K CB 2.339 34.648 32.500 -0.318 0.000 1.154 655 K HN 0.401 nan 8.250 nan 0.000 0.425 656 Q N 1.825 121.620 119.800 -0.007 0.000 2.347 656 Q HA 0.367 4.707 4.340 -0.000 0.000 0.265 656 Q C 0.114 176.113 176.000 -0.001 0.000 1.024 656 Q CA 0.010 55.824 55.803 0.019 0.000 0.731 656 Q CB 1.292 30.042 28.738 0.021 0.000 1.245 656 Q HN 0.851 nan 8.270 nan 0.000 0.472 657 G N 2.174 110.978 108.800 0.006 0.000 2.556 657 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.283 657 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.283 657 G C 0.451 175.321 174.900 -0.051 0.000 1.177 657 G CA 0.379 45.475 45.100 -0.008 0.000 0.978 657 G HN 1.079 nan 8.290 nan 0.000 0.554 658 S N -0.823 114.849 115.700 -0.047 0.000 2.557 658 S HA 0.446 4.916 4.470 -0.000 0.000 0.223 658 S C 0.716 175.280 174.600 -0.059 0.000 0.969 658 S CA 1.127 59.284 58.200 -0.072 0.000 0.927 658 S CB 0.433 63.605 63.200 -0.046 0.000 0.806 658 S HN 0.935 nan 8.310 nan 0.000 0.489 659 T N 2.629 117.160 114.554 -0.039 0.000 2.794 659 T HA 0.487 4.837 4.350 -0.000 0.000 0.296 659 T C -0.474 174.204 174.700 -0.036 0.000 0.949 659 T CA -0.186 61.904 62.100 -0.016 0.000 1.101 659 T CB 1.366 70.236 68.868 0.004 0.000 0.905 659 T HN 0.248 nan 8.240 nan 0.000 0.516 660 V N 3.985 123.889 119.914 -0.018 0.000 2.680 660 V HA 0.696 4.816 4.120 -0.000 0.000 0.309 660 V C -0.498 175.620 176.094 0.040 0.000 1.052 660 V CA -0.376 61.892 62.300 -0.053 0.000 0.908 660 V CB 2.412 34.142 31.823 -0.155 0.000 1.001 660 V HN 0.921 nan 8.190 nan 0.000 0.431 661 T N 6.297 120.874 114.554 0.039 0.000 2.815 661 T HA 0.426 4.776 4.350 -0.000 0.000 0.289 661 T C -1.009 173.820 174.700 0.214 0.000 1.000 661 T CA -0.013 62.189 62.100 0.170 0.000 0.958 661 T CB 0.625 69.597 68.868 0.173 0.000 0.944 661 T HN 0.679 nan 8.240 nan 0.000 0.442 662 W N 2.372 123.756 121.300 0.139 0.000 2.261 662 W HA 0.351 5.011 4.660 -0.000 0.000 0.323 662 W C 0.959 177.492 176.519 0.024 0.000 1.243 662 W CA -0.719 56.680 57.345 0.091 0.000 1.210 662 W CB 0.424 29.890 29.460 0.010 0.000 1.149 662 W HN 0.630 nan 8.180 nan 0.000 0.562 663 E N 1.732 121.934 120.200 0.003 0.000 2.398 663 E HA 0.307 4.657 4.350 -0.000 0.000 0.263 663 E C 0.727 177.202 176.600 -0.209 0.000 1.046 663 E CA -0.011 56.026 56.400 -0.604 0.000 0.908 663 E CB 0.565 29.728 29.700 -0.896 0.000 0.963 663 E HN 0.575 nan 8.360 nan 0.000 0.431 664 G N 1.895 110.547 108.800 -0.246 0.000 2.525 664 G HA2 0.522 4.482 3.960 -0.000 0.000 0.287 664 G HA3 0.522 4.482 3.960 -0.000 0.000 0.287 664 G C 0.395 175.193 174.900 -0.171 0.000 1.350 664 G CA -0.131 44.893 45.100 -0.127 0.000 1.039 664 G HN 0.976 nan 8.290 nan 0.000 0.513 665 G N -1.208 107.511 108.800 -0.135 0.000 2.601 665 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.252 665 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.252 665 G C 0.312 175.102 174.900 -0.182 0.000 1.294 665 G CA 0.170 45.179 45.100 -0.152 0.000 0.912 665 G HN 1.377 nan 8.290 nan 0.000 0.574 666 S N 0.858 116.439 115.700 -0.198 0.000 2.632 666 S HA 0.515 4.985 4.470 -0.000 0.000 0.271 666 S C 0.618 175.059 174.600 -0.266 0.000 1.260 666 S CA -0.689 57.392 58.200 -0.199 0.000 1.010 666 S CB 0.853 63.962 63.200 -0.152 0.000 0.965 666 S HN 0.705 nan 8.310 nan 0.000 0.534 667 N N 2.072 120.656 118.700 -0.192 0.000 2.416 667 N HA 0.049 4.789 4.740 -0.000 0.000 0.246 667 N C -0.067 175.292 175.510 -0.253 0.000 1.260 667 N CA 0.368 53.334 53.050 -0.140 0.000 0.897 667 N CB 0.105 38.636 38.487 0.073 0.000 1.110 667 N HN 0.557 nan 8.380 nan 0.000 0.439 668 H N 0.271 119.148 119.070 -0.322 0.000 2.546 668 H HA 0.361 4.917 4.556 -0.000 0.000 0.365 668 H C 0.023 175.213 175.328 -0.229 0.000 1.220 668 H CA 0.359 56.120 56.048 -0.478 0.000 1.386 668 H CB 1.002 30.034 29.762 -1.217 0.000 1.510 668 H HN 0.359 nan 8.280 nan 0.000 0.591 669 T N 2.145 116.845 114.554 0.244 0.000 2.923 669 T HA 0.445 4.795 4.350 -0.000 0.000 0.311 669 T C -1.123 173.971 174.700 0.657 0.000 1.183 669 T CA -0.736 61.647 62.100 0.471 0.000 1.020 669 T CB 1.464 70.484 68.868 0.254 0.000 1.165 669 T HN 0.529 nan 8.240 nan 0.000 0.482 670 F N -1.068 119.099 119.950 0.361 0.000 2.773 670 F HA 0.742 5.269 4.527 -0.000 0.000 0.314 670 F C -1.634 174.253 175.800 0.145 0.000 1.160 670 F CA -0.907 57.229 58.000 0.228 0.000 0.920 670 F CB 0.864 39.988 39.000 0.206 0.000 1.323 670 F HN 0.414 nan 8.300 nan 0.000 0.457 671 T N 2.621 116.993 114.554 -0.304 0.000 2.791 671 T HA 0.754 5.104 4.350 -0.000 0.000 0.288 671 T C -0.013 174.450 174.700 -0.395 0.000 0.999 671 T CA -0.151 61.692 62.100 -0.428 0.000 0.952 671 T CB 0.992 69.783 68.868 -0.128 0.000 0.938 671 T HN 0.956 nan 8.240 nan 0.000 0.444 672 A N 6.061 128.535 122.820 -0.577 0.000 2.483 672 A HA 0.494 4.814 4.320 -0.000 0.000 0.238 672 A C -1.875 175.707 177.584 -0.003 0.000 1.070 672 A CA -0.986 50.989 52.037 -0.103 0.000 0.770 672 A CB -0.283 18.687 19.000 -0.049 0.000 1.008 672 A HN 0.530 nan 8.150 nan 0.000 0.497 673 P HA 0.085 nan 4.420 nan 0.000 0.272 673 P C 0.677 178.000 177.300 0.039 0.000 1.230 673 P CA 0.237 63.371 63.100 0.056 0.000 0.788 673 P CB 0.912 32.657 31.700 0.075 0.000 0.949 674 S N 0.056 115.774 115.700 0.030 0.000 2.428 674 S HA 0.026 4.496 4.470 -0.000 0.000 0.230 674 S C 0.907 175.526 174.600 0.032 0.000 1.014 674 S CA 0.632 58.846 58.200 0.023 0.000 0.957 674 S CB -0.645 62.566 63.200 0.018 0.000 0.784 674 S HN 0.779 nan 8.310 nan 0.000 0.499 675 S N -1.239 114.487 115.700 0.043 0.000 2.615 675 S HA 0.691 5.161 4.470 -0.000 0.000 0.269 675 S C 0.140 174.782 174.600 0.070 0.000 1.161 675 S CA -0.398 57.833 58.200 0.052 0.000 0.817 675 S CB 0.851 64.076 63.200 0.041 0.000 1.131 675 S HN 1.716 nan 8.310 nan 0.000 0.467 676 G N 0.782 109.636 108.800 0.090 0.000 2.698 676 G HA2 0.185 4.145 3.960 -0.000 0.000 0.233 676 G HA3 0.185 4.145 3.960 -0.000 0.000 0.233 676 G C 0.035 175.010 174.900 0.125 0.000 1.352 676 G CA 0.425 45.590 45.100 0.107 0.000 0.879 676 G HN 2.267 nan 8.290 nan 0.000 0.567 677 T N -2.529 112.097 114.554 0.121 0.000 2.889 677 T HA 1.038 5.388 4.350 -0.000 0.000 0.278 677 T C 0.221 174.973 174.700 0.086 0.000 0.995 677 T CA 0.529 62.705 62.100 0.126 0.000 0.966 677 T CB 1.835 70.788 68.868 0.142 0.000 1.237 677 T HN 2.688 nan 8.240 nan 0.000 0.591 678 A N -0.171 122.688 122.820 0.065 0.000 2.586 678 A HA 0.672 4.992 4.320 -0.000 0.000 0.291 678 A C -0.800 176.760 177.584 -0.041 0.000 1.062 678 A CA -0.933 51.118 52.037 0.024 0.000 0.666 678 A CB 1.144 20.170 19.000 0.044 0.000 1.281 678 A HN 0.900 nan 8.150 nan 0.000 0.421 679 T N 2.086 116.601 114.554 -0.065 0.000 2.840 679 T HA 0.529 4.879 4.350 -0.000 0.000 0.287 679 T C -0.752 173.839 174.700 -0.181 0.000 0.991 679 T CA -0.244 61.788 62.100 -0.113 0.000 0.964 679 T CB 0.624 69.484 68.868 -0.013 0.000 0.954 679 T HN 0.448 nan 8.240 nan 0.000 0.438 680 I N 4.080 124.431 120.570 -0.365 0.000 2.328 680 I HA 0.372 4.542 4.170 -0.000 0.000 0.287 680 I C 0.135 176.156 176.117 -0.160 0.000 1.012 680 I CA -0.772 60.319 61.300 -0.349 0.000 1.195 680 I CB 0.860 38.370 38.000 -0.817 0.000 1.350 680 I HN 0.521 nan 8.210 nan 0.000 0.464 681 N N 6.905 125.574 118.700 -0.052 0.000 2.417 681 N HA 0.578 5.318 4.740 -0.000 0.000 0.274 681 N C -0.832 174.699 175.510 0.036 0.000 0.987 681 N CA -0.132 52.904 53.050 -0.022 0.000 0.912 681 N CB 2.190 40.664 38.487 -0.023 0.000 1.177 681 N HN 0.449 nan 8.380 nan 0.000 0.490 682 V N 1.028 120.964 119.914 0.037 0.000 3.167 682 V HA 0.682 4.802 4.120 -0.000 0.000 0.310 682 V C -0.480 175.628 176.094 0.025 0.000 1.207 682 V CA -1.125 61.199 62.300 0.041 0.000 1.059 682 V CB 2.013 33.789 31.823 -0.079 0.000 1.079 682 V HN 0.464 nan 8.190 nan 0.000 0.446 683 N N 1.326 120.089 118.700 0.104 0.000 2.456 683 N HA 0.253 4.993 4.740 -0.000 0.000 0.296 683 N C -0.788 174.854 175.510 0.221 0.000 1.102 683 N CA -0.307 52.826 53.050 0.137 0.000 0.924 683 N CB 1.875 40.447 38.487 0.141 0.000 1.186 683 N HN 1.020 nan 8.380 nan 0.000 0.492 684 W N 2.409 123.733 121.300 0.040 0.000 2.308 684 W HA 0.053 4.713 4.660 -0.000 0.000 0.324 684 W C -0.769 175.828 176.519 0.131 0.000 1.387 684 W CA 0.044 57.444 57.345 0.091 0.000 1.250 684 W CB 0.280 29.741 29.460 0.002 0.000 1.257 684 W HN 0.420 nan 8.180 nan 0.000 0.554 685 Q N 7.645 127.215 119.800 -0.382 0.000 2.331 685 Q HA 0.231 4.571 4.340 -0.000 0.000 0.257 685 Q C -1.899 173.901 176.000 -0.334 0.000 0.957 685 Q CA -1.700 53.954 55.803 -0.248 0.000 0.923 685 Q CB 1.285 29.889 28.738 -0.223 0.000 1.212 685 Q HN 0.205 nan 8.270 nan 0.000 0.443 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.208 63.100 0.181 0.000 0.800 686 P CB 0.000 31.808 31.700 0.181 0.000 0.726