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 1eo5_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 TQNLFHHNGG TDFSTTENGI YKNLYDLADL DATA SEQUENCE NHNNSTVDVY LKDAIKMWLD LGIDGIRMAA VKHMPFGWQK SFMAAVNNYK DATA SEQUENCE PVFTFGAWFL GVNEVSPENH KFANESGMSL LDFRFAQKVR QVFRDNTDNM DATA SEQUENCE YGLKAMLEGS AADYAQVDDQ VTFIDNHDME RFHASNANRR KLEQALAFTL DATA SEQUENCE TSRGVPAIYY GTEQYMSGGT DPDNRARIPS FSTSTTAYQV IQKLAPLRKS 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 -0.031 0.000 1.274 1 A CA 0.000 52.021 52.037 -0.027 0.000 0.836 1 A CB 0.000 18.974 19.000 -0.044 0.000 0.831 2 P HA 0.270 nan 4.420 nan 0.000 0.279 2 P C -0.067 177.197 177.300 -0.060 0.000 1.252 2 P CA 0.035 63.108 63.100 -0.046 0.000 0.811 2 P CB 0.763 32.433 31.700 -0.051 0.000 1.035 3 D N 0.249 120.617 120.400 -0.052 0.000 2.228 3 D HA -0.170 4.470 4.640 -0.000 0.000 0.203 3 D C 1.126 177.369 176.300 -0.095 0.000 0.988 3 D CA 2.020 55.990 54.000 -0.051 0.000 0.864 3 D CB -1.462 39.340 40.800 0.003 0.000 0.928 3 D HN 0.442 nan 8.370 nan 0.000 0.469 4 T N -2.603 111.888 114.554 -0.106 0.000 3.113 4 T HA 0.016 4.366 4.350 -0.000 0.000 0.256 4 T C 1.114 175.722 174.700 -0.154 0.000 1.131 4 T CA 0.116 62.129 62.100 -0.144 0.000 1.074 4 T CB -0.282 68.506 68.868 -0.133 0.000 0.944 4 T HN 0.174 nan 8.240 nan 0.000 0.516 5 S N 0.626 116.246 115.700 -0.133 0.000 2.558 5 S HA 0.109 4.579 4.470 -0.000 0.000 0.288 5 S C 1.449 175.943 174.600 -0.177 0.000 1.318 5 S CA -0.289 57.831 58.200 -0.133 0.000 1.056 5 S CB 1.095 64.230 63.200 -0.108 0.000 0.853 5 S HN 0.242 nan 8.310 nan 0.000 0.505 6 V N 4.584 124.393 119.914 -0.174 0.000 2.867 6 V HA -0.073 4.047 4.120 -0.000 0.000 0.260 6 V C 2.242 178.182 176.094 -0.256 0.000 1.099 6 V CA 2.472 64.643 62.300 -0.214 0.000 1.122 6 V CB -0.918 30.804 31.823 -0.169 0.000 0.708 6 V HN 1.048 nan 8.190 nan 0.000 0.490 7 S N -0.008 115.565 115.700 -0.212 0.000 2.522 7 S HA -0.031 4.439 4.470 -0.000 0.000 0.227 7 S C 1.178 175.687 174.600 -0.151 0.000 0.986 7 S CA 0.535 58.617 58.200 -0.196 0.000 0.929 7 S CB -0.709 62.406 63.200 -0.141 0.000 0.769 7 S HN 0.623 nan 8.310 nan 0.000 0.529 8 N N 2.474 121.075 118.700 -0.166 0.000 2.466 8 N HA 0.157 4.897 4.740 -0.000 0.000 0.263 8 N C 0.357 175.790 175.510 -0.129 0.000 1.178 8 N CA 0.067 53.036 53.050 -0.135 0.000 0.983 8 N CB 0.298 38.689 38.487 -0.159 0.000 1.331 8 N HN 0.468 nan 8.380 nan 0.000 0.500 9 K N 1.659 122.054 120.400 -0.008 0.000 2.486 9 K HA -0.019 4.301 4.320 -0.000 0.000 0.194 9 K C 0.706 177.484 176.600 0.297 0.000 1.033 9 K CA 0.636 57.014 56.287 0.151 0.000 1.004 9 K CB 0.456 33.047 32.500 0.152 0.000 0.798 9 K HN 0.393 nan 8.250 nan 0.000 0.495 10 Q N 0.168 120.085 119.800 0.196 0.000 2.384 10 Q HA 0.078 4.418 4.340 -0.000 0.000 0.207 10 Q C -0.277 175.904 176.000 0.302 0.000 0.904 10 Q CA 0.308 56.281 55.803 0.283 0.000 0.933 10 Q CB 0.464 29.326 28.738 0.206 0.000 1.077 10 Q HN 0.058 nan 8.270 nan 0.000 0.522 11 N N -0.654 118.080 118.700 0.057 0.000 2.480 11 N HA 0.184 4.924 4.740 -0.000 0.000 0.289 11 N C -1.400 173.879 175.510 -0.385 0.000 1.073 11 N CA -0.295 52.577 53.050 -0.297 0.000 0.885 11 N CB 0.500 38.778 38.487 -0.349 0.000 1.421 11 N HN -0.118 nan 8.380 nan 0.000 0.503 12 F N 1.136 120.621 119.950 -0.775 0.000 2.661 12 F HA 0.302 4.829 4.527 -0.000 0.000 0.306 12 F C 1.842 177.329 175.800 -0.522 0.000 1.094 12 F CA -0.086 57.521 58.000 -0.655 0.000 1.254 12 F CB 0.509 38.959 39.000 -0.917 0.000 1.040 12 F HN 0.427 nan 8.300 nan 0.000 0.562 13 S N -0.635 114.838 115.700 -0.378 0.000 2.447 13 S HA -0.148 4.322 4.470 -0.000 0.000 0.233 13 S C 2.132 176.521 174.600 -0.351 0.000 1.006 13 S CA 1.754 59.767 58.200 -0.312 0.000 0.957 13 S CB -0.447 62.616 63.200 -0.229 0.000 0.773 13 S HN 0.521 nan 8.310 nan 0.000 0.507 14 T N -0.690 113.644 114.554 -0.368 0.000 3.086 14 T HA 0.163 4.513 4.350 -0.000 0.000 0.250 14 T C 0.059 174.598 174.700 -0.269 0.000 1.074 14 T CA -0.298 61.589 62.100 -0.355 0.000 0.988 14 T CB 0.039 68.698 68.868 -0.348 0.000 0.988 14 T HN 0.042 nan 8.240 nan 0.000 0.530 15 D N 0.712 120.965 120.400 -0.245 0.000 2.385 15 D HA 0.549 5.189 4.640 -0.000 0.000 0.254 15 D C -0.879 175.359 176.300 -0.104 0.000 1.053 15 D CA -0.510 53.384 54.000 -0.176 0.000 0.992 15 D CB 2.453 43.138 40.800 -0.192 0.000 1.145 15 D HN 0.015 nan 8.370 nan 0.000 0.523 16 V N 1.694 121.578 119.914 -0.051 0.000 2.482 16 V HA 0.306 4.426 4.120 -0.000 0.000 0.295 16 V C 0.115 176.257 176.094 0.079 0.000 1.026 16 V CA -0.651 61.644 62.300 -0.009 0.000 0.856 16 V CB 1.523 33.324 31.823 -0.037 0.000 1.001 16 V HN 0.357 nan 8.190 nan 0.000 0.424 17 I N 4.613 125.264 120.570 0.134 0.000 2.474 17 I HA 0.287 4.457 4.170 -0.000 0.000 0.287 17 I C -0.757 175.513 176.117 0.255 0.000 1.048 17 I CA -0.374 61.068 61.300 0.237 0.000 1.383 17 I CB 0.792 38.966 38.000 0.289 0.000 1.412 17 I HN 0.602 nan 8.210 nan 0.000 0.531 18 Y N 6.247 126.628 120.300 0.135 0.000 2.402 18 Y HA 0.215 4.765 4.550 -0.000 0.000 0.332 18 Y C 0.077 176.025 175.900 0.079 0.000 0.960 18 Y CA -0.491 57.661 58.100 0.086 0.000 1.228 18 Y CB 0.810 39.287 38.460 0.028 0.000 1.120 18 Y HN 0.491 nan 8.280 nan 0.000 0.491 19 Q N 7.116 126.796 119.800 -0.201 0.000 2.296 19 Q HA 0.329 4.669 4.340 -0.000 0.000 0.263 19 Q C -1.147 174.662 176.000 -0.317 0.000 1.026 19 Q CA -0.070 55.550 55.803 -0.305 0.000 0.912 19 Q CB 0.428 28.873 28.738 -0.489 0.000 1.198 19 Q HN 0.763 nan 8.270 nan 0.000 0.407 20 I N 4.426 124.814 120.570 -0.303 0.000 2.330 20 I HA 0.178 4.348 4.170 -0.000 0.000 0.289 20 I C -0.546 175.370 176.117 -0.336 0.000 1.001 20 I CA -0.673 60.420 61.300 -0.344 0.000 1.193 20 I CB 0.844 38.618 38.000 -0.377 0.000 1.345 20 I HN 0.566 nan 8.210 nan 0.000 0.461 21 F N 5.984 125.595 119.950 -0.566 0.000 2.515 21 F HA 0.122 4.649 4.527 -0.000 0.000 0.353 21 F C 1.732 177.319 175.800 -0.355 0.000 1.213 21 F CA 0.118 57.883 58.000 -0.393 0.000 1.194 21 F CB 0.391 39.233 39.000 -0.263 0.000 1.488 21 F HN 0.563 nan 8.300 nan 0.000 0.619 22 T N 1.314 115.675 114.554 -0.322 0.000 2.624 22 T HA -0.376 3.974 4.350 -0.000 0.000 0.266 22 T C 1.689 176.336 174.700 -0.089 0.000 1.050 22 T CA 2.248 64.178 62.100 -0.284 0.000 1.163 22 T CB -0.317 68.118 68.868 -0.722 0.000 0.861 22 T HN 0.608 nan 8.240 nan 0.000 0.443 23 D N 0.377 120.782 120.400 0.009 0.000 2.221 23 D HA -0.102 4.538 4.640 -0.000 0.000 0.204 23 D C 1.887 178.293 176.300 0.176 0.000 0.982 23 D CA 0.766 54.892 54.000 0.211 0.000 0.857 23 D CB 0.119 41.132 40.800 0.355 0.000 0.934 23 D HN 0.169 nan 8.370 nan 0.000 0.475 24 R N -0.782 119.799 120.500 0.135 0.000 2.468 24 R HA 0.117 4.457 4.340 -0.000 0.000 0.280 24 R C 0.740 177.083 176.300 0.071 0.000 0.963 24 R CA -0.175 55.974 56.100 0.081 0.000 1.083 24 R CB -0.238 30.115 30.300 0.089 0.000 1.200 24 R HN 0.266 nan 8.270 nan 0.000 0.541 25 F N 0.547 120.448 119.950 -0.082 0.000 2.287 25 F HA 0.289 4.816 4.527 -0.000 0.000 0.276 25 F C 0.300 176.211 175.800 0.184 0.000 1.047 25 F CA 0.224 58.239 58.000 0.026 0.000 1.194 25 F CB 0.405 39.414 39.000 0.014 0.000 1.118 25 F HN -0.198 nan 8.300 nan 0.000 0.556 26 S N 0.129 115.907 115.700 0.131 0.000 2.652 26 S HA 0.196 4.666 4.470 -0.000 0.000 0.273 26 S C -1.806 172.850 174.600 0.093 0.000 1.172 26 S CA -0.801 57.421 58.200 0.037 0.000 1.009 26 S CB 0.534 63.661 63.200 -0.122 0.000 1.094 26 S HN 0.241 nan 8.310 nan 0.000 0.471 27 D N 3.768 124.221 120.400 0.088 0.000 2.435 27 D HA 0.356 4.996 4.640 -0.000 0.000 0.230 27 D C 1.265 177.606 176.300 0.069 0.000 1.215 27 D CA 0.135 54.193 54.000 0.097 0.000 0.947 27 D CB 0.435 41.308 40.800 0.121 0.000 1.048 27 D HN 0.685 nan 8.370 nan 0.000 0.512 28 G N 3.173 112.014 108.800 0.068 0.000 2.712 28 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.212 28 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.212 28 G C 0.700 175.628 174.900 0.047 0.000 1.142 28 G CA -0.228 44.903 45.100 0.052 0.000 0.789 28 G HN 0.474 nan 8.290 nan 0.000 0.535 29 N N -0.319 118.410 118.700 0.048 0.000 2.675 29 N HA 0.318 5.058 4.740 -0.000 0.000 0.254 29 N C -2.209 173.306 175.510 0.009 0.000 1.224 29 N CA -1.915 51.153 53.050 0.030 0.000 0.777 29 N CB 2.030 40.538 38.487 0.035 0.000 1.256 29 N HN -0.218 nan 8.380 nan 0.000 0.531 30 P HA -0.068 nan 4.420 nan 0.000 0.219 30 P C 1.022 178.277 177.300 -0.075 0.000 1.146 30 P CA 0.958 64.046 63.100 -0.021 0.000 0.808 30 P CB 0.287 31.985 31.700 -0.002 0.000 0.779 31 A N 1.005 123.793 122.820 -0.053 0.000 1.978 31 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 31 A C 1.827 179.353 177.584 -0.097 0.000 1.170 31 A CA 2.136 54.132 52.037 -0.068 0.000 0.636 31 A CB -1.530 17.447 19.000 -0.039 0.000 0.810 31 A HN 0.361 nan 8.150 nan 0.000 0.448 32 N N -0.253 118.394 118.700 -0.088 0.000 2.336 32 N HA 0.009 4.749 4.740 -0.000 0.000 0.189 32 N C -0.453 174.952 175.510 -0.176 0.000 1.113 32 N CA -0.208 52.776 53.050 -0.111 0.000 0.858 32 N CB -0.550 37.894 38.487 -0.071 0.000 0.970 32 N HN 0.235 nan 8.380 nan 0.000 0.471 33 N N 1.928 120.490 118.700 -0.229 0.000 2.441 33 N HA 0.188 4.928 4.740 -0.000 0.000 0.251 33 N C -2.283 172.940 175.510 -0.480 0.000 1.242 33 N CA -0.889 51.932 53.050 -0.383 0.000 0.898 33 N CB 0.091 38.191 38.487 -0.646 0.000 1.100 33 N HN 0.201 nan 8.380 nan 0.000 0.443 34 P HA 0.161 nan 4.420 nan 0.000 0.272 34 P C -0.094 176.982 177.300 -0.373 0.000 1.240 34 P CA -0.163 62.725 63.100 -0.354 0.000 0.791 34 P CB 0.549 32.064 31.700 -0.309 0.000 0.978 35 T N -2.705 111.748 114.554 -0.170 0.000 2.910 35 T HA 0.690 5.040 4.350 -0.000 0.000 0.287 35 T C 0.569 175.299 174.700 0.050 0.000 1.050 35 T CA -0.067 61.975 62.100 -0.096 0.000 1.011 35 T CB 1.209 70.010 68.868 -0.113 0.000 1.195 35 T HN 0.708 nan 8.240 nan 0.000 0.540 36 G N 0.927 109.773 108.800 0.077 0.000 2.574 36 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.286 36 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.286 36 G C 1.197 176.173 174.900 0.127 0.000 1.212 36 G CA 0.764 45.916 45.100 0.085 0.000 0.979 36 G HN 1.827 nan 8.290 nan 0.000 0.557 37 A N -0.422 122.456 122.820 0.096 0.000 2.125 37 A HA 0.402 4.722 4.320 -0.000 0.000 0.219 37 A C 2.660 180.325 177.584 0.134 0.000 1.156 37 A CA 2.579 54.674 52.037 0.097 0.000 0.671 37 A CB -0.633 18.409 19.000 0.070 0.000 0.794 37 A HN 2.248 nan 8.150 nan 0.000 0.459 38 A N -2.148 120.776 122.820 0.174 0.000 2.251 38 A HA 0.490 4.810 4.320 -0.000 0.000 0.209 38 A C 0.233 178.032 177.584 0.358 0.000 1.187 38 A CA 0.081 52.267 52.037 0.248 0.000 0.823 38 A CB -0.301 18.841 19.000 0.238 0.000 0.846 38 A HN 0.471 nan 8.150 nan 0.000 0.486 39 F N -0.776 119.234 119.950 0.099 0.000 2.576 39 F HA 0.599 5.126 4.527 -0.000 0.000 0.313 39 F C -1.705 174.128 175.800 0.056 0.000 1.078 39 F CA -1.463 56.591 58.000 0.090 0.000 0.921 39 F CB 2.038 41.069 39.000 0.051 0.000 1.232 39 F HN -0.025 nan 8.300 nan 0.000 0.459 40 D N 2.682 122.530 120.400 -0.918 0.000 2.319 40 D HA 0.265 4.905 4.640 -0.000 0.000 0.237 40 D C 0.689 176.433 176.300 -0.927 0.000 1.353 40 D CA 0.149 53.743 54.000 -0.677 0.000 0.992 40 D CB 1.091 41.703 40.800 -0.313 0.000 1.368 40 D HN 0.688 nan 8.370 nan 0.000 0.564 41 G N 1.683 109.965 108.800 -0.863 0.000 2.446 41 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.217 41 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.217 41 G C 1.421 176.202 174.900 -0.198 0.000 1.168 41 G CA 1.676 46.543 45.100 -0.389 0.000 0.771 41 G HN 0.570 nan 8.290 nan 0.000 0.551 42 T N -2.642 111.819 114.554 -0.155 0.000 2.946 42 T HA -0.155 4.195 4.350 -0.000 0.000 0.271 42 T C 1.397 176.027 174.700 -0.117 0.000 1.104 42 T CA 1.127 63.166 62.100 -0.103 0.000 1.114 42 T CB -0.969 67.854 68.868 -0.076 0.000 0.867 42 T HN 0.831 nan 8.240 nan 0.000 0.513 43 c N 1.401 119.896 118.600 -0.174 0.000 4.167 43 c HA -0.185 4.385 4.570 -0.000 0.000 0.302 43 c C 1.530 175.552 174.090 -0.114 0.000 1.384 43 c CA 0.878 57.116 56.329 -0.151 0.000 2.041 43 c CB -2.671 39.777 42.510 -0.104 0.000 1.303 43 c HN 0.820 nan 8.230 nan 0.000 0.718 44 T N -0.422 114.065 114.554 -0.112 0.000 3.033 44 T HA 0.015 4.365 4.350 -0.000 0.000 0.248 44 T C 0.812 175.464 174.700 -0.081 0.000 1.040 44 T CA 0.921 62.974 62.100 -0.080 0.000 1.133 44 T CB -0.156 68.673 68.868 -0.064 0.000 0.895 44 T HN 0.662 nan 8.240 nan 0.000 0.465 45 N N 2.369 121.009 118.700 -0.099 0.000 2.602 45 N HA 0.165 4.905 4.740 -0.000 0.000 0.238 45 N C 0.584 176.007 175.510 -0.145 0.000 1.084 45 N CA -0.156 52.840 53.050 -0.091 0.000 0.952 45 N CB 0.129 38.573 38.487 -0.072 0.000 1.244 45 N HN 0.299 nan 8.380 nan 0.000 0.512 46 L N 2.280 123.417 121.223 -0.143 0.000 2.633 46 L HA 0.023 4.363 4.340 -0.000 0.000 0.235 46 L C 1.695 178.336 176.870 -0.382 0.000 1.163 46 L CA 0.509 55.211 54.840 -0.230 0.000 0.859 46 L CB -0.052 41.925 42.059 -0.136 0.000 0.973 46 L HN 0.337 nan 8.230 nan 0.000 0.451 47 R N -0.950 119.409 120.500 -0.235 0.000 2.362 47 R HA 0.214 4.553 4.340 -0.000 0.000 0.227 47 R C -0.226 175.991 176.300 -0.137 0.000 0.905 47 R CA -0.222 55.803 56.100 -0.125 0.000 1.067 47 R CB 0.562 30.915 30.300 0.087 0.000 1.078 47 R HN 0.108 nan 8.270 nan 0.000 0.516 48 L N -0.552 120.533 121.223 -0.230 0.000 2.335 48 L HA 0.321 4.661 4.340 -0.000 0.000 0.268 48 L C -0.164 176.619 176.870 -0.145 0.000 1.016 48 L CA -1.114 53.675 54.840 -0.085 0.000 0.805 48 L CB 0.199 42.234 42.059 -0.039 0.000 1.311 48 L HN -0.108 nan 8.230 nan 0.000 0.456 49 Y N -0.587 119.740 120.300 0.045 0.000 2.359 49 Y HA 0.065 4.615 4.550 -0.000 0.000 0.330 49 Y C 1.054 176.959 175.900 0.008 0.000 1.143 49 Y CA 0.268 58.452 58.100 0.140 0.000 1.318 49 Y CB 0.825 39.460 38.460 0.293 0.000 1.234 49 Y HN 0.520 nan 8.280 nan 0.000 0.522 50 c N 0.897 119.603 118.600 0.176 0.000 2.865 50 c HA 0.326 4.896 4.570 -0.000 0.000 0.280 50 c C 1.719 175.959 174.090 0.250 0.000 1.255 50 c CA 0.502 56.829 56.329 -0.004 0.000 1.705 50 c CB -0.411 42.079 42.510 -0.033 0.000 2.080 50 c HN 1.216 nan 8.230 nan 0.000 0.591 51 G N 0.270 109.342 108.800 0.453 0.000 2.231 51 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.206 51 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.206 51 G C 0.417 175.464 174.900 0.244 0.000 0.996 51 G CA -0.094 45.255 45.100 0.414 0.000 0.645 51 G HN 0.785 nan 8.290 nan 0.000 0.498 52 G N 0.900 109.831 108.800 0.218 0.000 2.321 52 G HA2 0.500 4.460 3.960 -0.000 0.000 0.237 52 G HA3 0.500 4.460 3.960 -0.000 0.000 0.237 52 G C 0.052 175.026 174.900 0.122 0.000 1.282 52 G CA 1.247 46.443 45.100 0.161 0.000 0.886 52 G HN 1.131 nan 8.290 nan 0.000 0.528 53 D N -0.209 120.244 120.400 0.089 0.000 2.752 53 D HA 0.230 4.870 4.640 -0.000 0.000 0.313 53 D C 0.479 176.849 176.300 0.116 0.000 1.225 53 D CA -0.925 53.075 54.000 0.001 0.000 0.976 53 D CB 0.173 40.983 40.800 0.017 0.000 1.443 53 D HN 0.298 nan 8.370 nan 0.000 0.515 54 W N -0.471 120.893 121.300 0.106 0.000 2.402 54 W HA -0.018 4.642 4.660 -0.000 0.000 0.286 54 W C 2.058 178.619 176.519 0.068 0.000 1.221 54 W CA 0.886 58.279 57.345 0.081 0.000 1.257 54 W CB -0.923 28.608 29.460 0.119 0.000 1.120 54 W HN 0.540 nan 8.180 nan 0.000 0.551 55 Q N 0.411 120.374 119.800 0.271 0.000 2.084 55 Q HA -0.073 4.267 4.340 -0.000 0.000 0.202 55 Q C 2.409 178.487 176.000 0.129 0.000 0.978 55 Q CA 2.442 58.344 55.803 0.165 0.000 0.844 55 Q CB -1.060 27.749 28.738 0.118 0.000 0.898 55 Q HN 0.163 nan 8.270 nan 0.000 0.426 56 G N 0.712 109.594 108.800 0.137 0.000 2.459 56 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 56 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 56 G C 1.466 176.458 174.900 0.153 0.000 1.183 56 G CA 1.125 46.288 45.100 0.105 0.000 0.776 56 G HN 0.438 nan 8.290 nan 0.000 0.552 57 I N 0.488 121.223 120.570 0.275 0.000 2.163 57 I HA -0.182 3.988 4.170 -0.000 0.000 0.243 57 I C 2.716 178.932 176.117 0.164 0.000 1.085 57 I CA 0.902 62.388 61.300 0.310 0.000 1.347 57 I CB -0.316 37.831 38.000 0.245 0.000 1.044 57 I HN 0.151 nan 8.210 nan 0.000 0.408 58 I N 0.984 121.622 120.570 0.114 0.000 2.151 58 I HA -0.337 3.833 4.170 -0.000 0.000 0.243 58 I C 2.312 178.448 176.117 0.032 0.000 1.080 58 I CA 1.480 62.812 61.300 0.053 0.000 1.339 58 I CB -0.534 37.496 38.000 0.050 0.000 1.039 58 I HN 0.317 nan 8.210 nan 0.000 0.409 59 N N 0.861 119.575 118.700 0.025 0.000 2.069 59 N HA -0.171 4.569 4.740 -0.000 0.000 0.191 59 N C 1.736 177.210 175.510 -0.059 0.000 1.031 59 N CA 1.212 54.247 53.050 -0.025 0.000 0.852 59 N CB -0.308 38.150 38.487 -0.050 0.000 1.018 59 N HN 0.197 nan 8.380 nan 0.000 0.423 60 K N 0.825 121.187 120.400 -0.064 0.000 2.283 60 K HA 0.077 4.397 4.320 -0.000 0.000 0.202 60 K C 2.028 178.648 176.600 0.034 0.000 1.048 60 K CA 0.313 56.546 56.287 -0.090 0.000 0.948 60 K CB -0.281 32.180 32.500 -0.065 0.000 0.742 60 K HN 0.339 nan 8.250 nan 0.000 0.458 61 I N 0.533 121.129 120.570 0.045 0.000 2.333 61 I HA -0.207 3.963 4.170 -0.000 0.000 0.246 61 I C 1.402 177.522 176.117 0.006 0.000 1.106 61 I CA 0.985 62.301 61.300 0.026 0.000 1.411 61 I CB -0.176 37.833 38.000 0.016 0.000 1.082 61 I HN 0.219 nan 8.210 nan 0.000 0.420 62 N N 0.679 119.378 118.700 -0.003 0.000 2.409 62 N HA -0.158 4.582 4.740 -0.000 0.000 0.179 62 N C 0.849 176.352 175.510 -0.012 0.000 1.032 62 N CA 0.975 54.020 53.050 -0.008 0.000 0.898 62 N CB 0.051 38.532 38.487 -0.009 0.000 0.971 62 N HN 0.419 nan 8.380 nan 0.000 0.441 63 D N -0.703 119.684 120.400 -0.021 0.000 2.328 63 D HA 0.115 4.755 4.640 -0.000 0.000 0.221 63 D C 1.170 177.475 176.300 0.007 0.000 1.072 63 D CA 0.157 54.143 54.000 -0.022 0.000 0.850 63 D CB -0.052 40.713 40.800 -0.058 0.000 0.922 63 D HN 0.172 nan 8.370 nan 0.000 0.516 64 G N -0.199 108.614 108.800 0.022 0.000 2.176 64 G HA2 -0.437 3.523 3.960 -0.000 0.000 0.253 64 G HA3 -0.437 3.523 3.960 -0.000 0.000 0.253 64 G C 0.650 175.599 174.900 0.081 0.000 0.979 64 G CA 0.352 45.474 45.100 0.037 0.000 0.641 64 G HN 0.344 nan 8.290 nan 0.000 0.530 65 Y N 0.932 121.219 120.300 -0.022 0.000 2.097 65 Y HA 0.046 4.596 4.550 -0.000 0.000 0.282 65 Y C 2.686 178.629 175.900 0.071 0.000 1.152 65 Y CA 2.457 60.582 58.100 0.042 0.000 1.136 65 Y CB -0.438 37.978 38.460 -0.072 0.000 0.975 65 Y HN 0.304 nan 8.280 nan 0.000 0.498 66 L N -0.890 120.282 121.223 -0.085 0.000 2.023 66 L HA -0.180 4.160 4.340 -0.000 0.000 0.205 66 L C 2.586 179.336 176.870 -0.201 0.000 1.073 66 L CA 1.830 56.524 54.840 -0.244 0.000 0.745 66 L CB -1.275 40.693 42.059 -0.152 0.000 0.900 66 L HN 0.319 nan 8.230 nan 0.000 0.435 67 T N -2.565 111.929 114.554 -0.101 0.000 2.788 67 T HA -0.135 4.215 4.350 -0.000 0.000 0.268 67 T C 1.935 176.584 174.700 -0.085 0.000 1.044 67 T CA 1.121 63.172 62.100 -0.082 0.000 1.139 67 T CB -1.069 67.773 68.868 -0.044 0.000 0.867 67 T HN 0.404 nan 8.240 nan 0.000 0.454 68 G N 0.470 109.242 108.800 -0.048 0.000 2.448 68 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.219 68 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.219 68 G C 1.496 176.344 174.900 -0.087 0.000 1.127 68 G CA 0.604 45.713 45.100 0.015 0.000 0.766 68 G HN 0.511 nan 8.290 nan 0.000 0.552 69 M N -0.097 119.310 119.600 -0.321 0.000 2.506 69 M HA 0.214 4.694 4.480 -0.000 0.000 0.260 69 M C 1.787 177.870 176.300 -0.362 0.000 1.104 69 M CA 0.977 55.886 55.300 -0.652 0.000 1.112 69 M CB 0.368 32.439 32.600 -0.882 0.000 1.401 69 M HN 0.370 nan 8.290 nan 0.000 0.473 70 G N 0.542 109.205 108.800 -0.228 0.000 2.157 70 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.239 70 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.239 70 G C -0.012 174.804 174.900 -0.140 0.000 0.982 70 G CA 0.051 45.054 45.100 -0.161 0.000 0.650 70 G HN 0.314 nan 8.290 nan 0.000 0.527 71 V N 1.720 121.541 119.914 -0.154 0.000 2.585 71 V HA 0.444 4.564 4.120 -0.000 0.000 0.296 71 V C 1.613 177.668 176.094 -0.064 0.000 1.035 71 V CA 1.495 63.741 62.300 -0.090 0.000 1.084 71 V CB 1.294 33.048 31.823 -0.115 0.000 0.953 71 V HN 0.820 nan 8.190 nan 0.000 0.483 72 T N 0.900 115.433 114.554 -0.035 0.000 3.091 72 T HA 0.683 5.032 4.350 -0.000 0.000 0.277 72 T C 0.003 174.700 174.700 -0.005 0.000 0.996 72 T CA 0.367 62.438 62.100 -0.048 0.000 0.897 72 T CB 0.448 69.256 68.868 -0.099 0.000 1.109 72 T HN 1.078 nan 8.240 nan 0.000 0.534 73 A N 1.557 124.424 122.820 0.080 0.000 2.594 73 A HA 0.731 5.051 4.320 -0.000 0.000 0.296 73 A C -1.318 176.412 177.584 0.243 0.000 1.061 73 A CA -1.194 50.958 52.037 0.190 0.000 0.689 73 A CB 0.981 20.174 19.000 0.321 0.000 1.280 73 A HN 0.797 nan 8.150 nan 0.000 0.406 74 I N -2.049 118.679 120.570 0.264 0.000 2.689 74 I HA 0.901 5.071 4.170 -0.000 0.000 0.299 74 I C -1.105 175.224 176.117 0.353 0.000 1.059 74 I CA -0.793 60.669 61.300 0.269 0.000 1.055 74 I CB 2.123 40.215 38.000 0.154 0.000 1.243 74 I HN 0.825 nan 8.210 nan 0.000 0.425 75 W N 8.692 130.075 121.300 0.138 0.000 2.475 75 W HA 0.752 5.412 4.660 -0.000 0.000 0.320 75 W C -1.409 175.136 176.519 0.044 0.000 1.022 75 W CA -1.805 55.612 57.345 0.121 0.000 1.240 75 W CB 0.779 30.356 29.460 0.195 0.000 1.328 75 W HN 0.665 nan 8.180 nan 0.000 0.439 76 I N 2.578 123.335 120.570 0.312 0.000 2.863 76 I HA 0.666 4.836 4.170 -0.000 0.000 0.311 76 I C 0.367 176.498 176.117 0.024 0.000 1.026 76 I CA -0.967 60.364 61.300 0.052 0.000 1.077 76 I CB 1.640 39.685 38.000 0.074 0.000 1.262 76 I HN 0.240 nan 8.210 nan 0.000 0.461 77 S N 1.985 117.557 115.700 -0.213 0.000 2.566 77 S HA -0.056 4.414 4.470 -0.000 0.000 0.280 77 S C 0.034 174.590 174.600 -0.072 0.000 1.343 77 S CA -0.295 57.713 58.200 -0.321 0.000 1.036 77 S CB 0.255 63.150 63.200 -0.508 0.000 0.866 77 S HN 0.731 nan 8.310 nan 0.000 0.526 78 Q N 3.170 122.873 119.800 -0.162 0.000 2.262 78 Q HA -0.012 4.328 4.340 -0.000 0.000 0.298 78 Q C -1.512 174.543 176.000 0.091 0.000 1.083 78 Q CA -1.031 54.735 55.803 -0.061 0.000 0.962 78 Q CB 0.578 29.233 28.738 -0.140 0.000 1.104 78 Q HN 0.333 nan 8.270 nan 0.000 0.376 79 P HA -0.071 nan 4.420 nan 0.000 0.231 79 P C 0.508 177.931 177.300 0.205 0.000 1.168 79 P CA 0.424 63.721 63.100 0.328 0.000 0.779 79 P CB -0.192 31.461 31.700 -0.080 0.000 0.844 80 V N -1.066 118.840 119.914 -0.013 0.000 2.963 80 V HA 0.133 4.253 4.120 -0.000 0.000 0.306 80 V C 0.490 176.569 176.094 -0.026 0.000 1.077 80 V CA -0.854 61.506 62.300 0.100 0.000 1.124 80 V CB -0.078 31.756 31.823 0.019 0.000 0.987 80 V HN 0.016 nan 8.190 nan 0.000 0.487 81 E N 3.406 123.609 120.200 0.005 0.000 2.465 81 E HA 0.064 4.414 4.350 -0.000 0.000 0.260 81 E C -0.045 176.426 176.600 -0.215 0.000 0.980 81 E CA 0.203 56.538 56.400 -0.110 0.000 0.927 81 E CB 0.218 29.899 29.700 -0.032 0.000 0.934 81 E HN 0.909 nan 8.360 nan 0.000 0.459 82 N N 2.848 121.355 118.700 -0.321 0.000 2.518 82 N HA 0.325 5.065 4.740 -0.000 0.000 0.284 82 N C 0.032 175.300 175.510 -0.403 0.000 1.230 82 N CA -0.824 52.065 53.050 -0.268 0.000 0.941 82 N CB 0.955 39.303 38.487 -0.231 0.000 1.219 82 N HN 0.459 nan 8.380 nan 0.000 0.560 83 I N -1.173 119.289 120.570 -0.180 0.000 2.836 83 I HA 0.001 4.171 4.170 -0.000 0.000 0.285 83 I C -0.149 175.795 176.117 -0.289 0.000 1.174 83 I CA 0.056 61.251 61.300 -0.175 0.000 1.405 83 I CB 0.247 38.250 38.000 0.005 0.000 1.385 83 I HN 0.602 nan 8.210 nan 0.000 0.594 84 Y N 2.063 122.381 120.300 0.030 0.000 2.458 84 Y HA 0.240 4.790 4.550 -0.000 0.000 0.256 84 Y C 1.506 177.429 175.900 0.039 0.000 1.159 84 Y CA -0.103 58.009 58.100 0.020 0.000 1.261 84 Y CB -0.052 38.388 38.460 -0.034 0.000 1.119 84 Y HN 0.573 nan 8.280 nan 0.000 0.524 85 S N 1.129 116.904 115.700 0.125 0.000 2.549 85 S HA 0.168 4.638 4.470 -0.000 0.000 0.286 85 S C 0.091 174.737 174.600 0.078 0.000 1.314 85 S CA -0.157 58.072 58.200 0.049 0.000 1.062 85 S CB -0.011 63.144 63.200 -0.074 0.000 0.865 85 S HN 0.128 nan 8.310 nan 0.000 0.498 86 I N 4.592 125.193 120.570 0.051 0.000 2.291 86 I HA 0.289 4.459 4.170 -0.000 0.000 0.290 86 I C -0.272 175.834 176.117 -0.019 0.000 1.050 86 I CA -0.132 61.211 61.300 0.071 0.000 1.245 86 I CB 0.448 38.495 38.000 0.077 0.000 1.405 86 I HN 0.443 nan 8.210 nan 0.000 0.478 87 I N 6.304 126.850 120.570 -0.040 0.000 2.342 87 I HA 0.136 4.306 4.170 -0.000 0.000 0.291 87 I C 0.505 176.499 176.117 -0.205 0.000 1.010 87 I CA -0.257 60.894 61.300 -0.247 0.000 1.308 87 I CB 0.688 38.391 38.000 -0.496 0.000 1.400 87 I HN 0.549 nan 8.210 nan 0.000 0.488 88 N N 6.760 125.353 118.700 -0.179 0.000 2.469 88 N HA 0.096 4.836 4.740 -0.000 0.000 0.239 88 N C -1.270 174.186 175.510 -0.090 0.000 1.053 88 N CA -0.265 52.744 53.050 -0.070 0.000 0.937 88 N CB 0.419 38.902 38.487 -0.006 0.000 1.163 88 N HN 0.333 nan 8.380 nan 0.000 0.509 89 Y N 2.203 122.572 120.300 0.115 0.000 2.802 89 Y HA 0.136 4.686 4.550 -0.000 0.000 0.330 89 Y C 0.780 176.715 175.900 0.059 0.000 1.193 89 Y CA -0.444 57.712 58.100 0.093 0.000 1.427 89 Y CB -0.042 38.475 38.460 0.095 0.000 1.357 89 Y HN 0.455 nan 8.280 nan 0.000 0.501 90 S N 2.150 117.952 115.700 0.171 0.000 3.667 90 S HA -0.130 4.340 4.470 -0.000 0.000 0.405 90 S C 1.234 175.886 174.600 0.087 0.000 0.913 90 S CA 0.960 59.223 58.200 0.106 0.000 1.288 90 S CB -1.372 61.885 63.200 0.094 0.000 0.905 90 S HN 1.416 nan 8.310 nan 0.000 0.550 91 G N -1.685 107.159 108.800 0.073 0.000 2.199 91 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.254 91 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.254 91 G C 0.056 174.996 174.900 0.067 0.000 0.982 91 G CA 0.135 45.270 45.100 0.058 0.000 0.632 91 G HN 1.780 nan 8.290 nan 0.000 0.529 92 V N -0.271 119.701 119.914 0.096 0.000 2.409 92 V HA 0.670 4.789 4.120 -0.000 0.000 0.291 92 V C -0.184 175.984 176.094 0.124 0.000 1.020 92 V CA -1.855 60.509 62.300 0.106 0.000 0.848 92 V CB 1.633 33.529 31.823 0.122 0.000 0.990 92 V HN 0.174 nan 8.190 nan 0.000 0.430 93 N N 3.475 122.234 118.700 0.100 0.000 2.520 93 N HA 0.390 5.130 4.740 -0.000 0.000 0.273 93 N C -0.567 175.037 175.510 0.157 0.000 1.155 93 N CA 0.104 53.216 53.050 0.103 0.000 0.967 93 N CB 0.867 39.402 38.487 0.080 0.000 1.092 93 N HN 0.838 nan 8.380 nan 0.000 0.457 94 N N -0.871 117.949 118.700 0.201 0.000 2.225 94 N HA 0.524 5.264 4.740 -0.000 0.000 0.298 94 N C -0.793 174.911 175.510 0.323 0.000 1.076 94 N CA -0.653 52.590 53.050 0.322 0.000 0.792 94 N CB 1.836 40.653 38.487 0.549 0.000 1.498 94 N HN 0.507 nan 8.380 nan 0.000 0.474 95 T N -2.484 112.238 114.554 0.281 0.000 2.907 95 T HA 0.694 5.044 4.350 -0.000 0.000 0.290 95 T C 0.048 174.614 174.700 -0.223 0.000 1.066 95 T CA -0.914 61.297 62.100 0.185 0.000 1.012 95 T CB 1.514 70.498 68.868 0.193 0.000 1.184 95 T HN 0.352 nan 8.240 nan 0.000 0.522 96 A N 0.570 123.185 122.820 -0.342 0.000 2.503 96 A HA 0.278 4.598 4.320 -0.000 0.000 0.263 96 A C 1.305 178.170 177.584 -1.199 0.000 1.360 96 A CA -0.191 51.245 52.037 -1.002 0.000 0.969 96 A CB -1.649 17.153 19.000 -0.329 0.000 1.000 96 A HN 0.978 nan 8.150 nan 0.000 0.530 97 Y N 0.020 119.549 120.300 -1.286 0.000 2.298 97 Y HA -0.349 4.201 4.550 -0.000 0.000 0.287 97 Y C 1.784 177.361 175.900 -0.537 0.000 1.164 97 Y CA 1.843 59.175 58.100 -1.280 0.000 1.229 97 Y CB -1.186 36.741 38.460 -0.889 0.000 0.977 97 Y HN 0.660 nan 8.280 nan 0.000 0.538 98 H N -1.475 116.834 119.070 -1.267 0.000 2.529 98 H HA 0.334 4.890 4.556 -0.000 0.000 0.277 98 H C 2.013 176.910 175.328 -0.718 0.000 0.999 98 H CA 0.011 55.519 56.048 -0.901 0.000 1.256 98 H CB -0.601 28.729 29.762 -0.720 0.000 1.402 98 H HN 0.415 nan 8.280 nan 0.000 0.566 99 G N -0.179 108.306 108.800 -0.524 0.000 2.184 99 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.264 99 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.264 99 G C 0.432 175.186 174.900 -0.243 0.000 0.975 99 G CA 0.558 45.458 45.100 -0.334 0.000 0.642 99 G HN 0.531 nan 8.290 nan 0.000 0.536 100 Y N -1.164 119.184 120.300 0.080 0.000 2.490 100 Y HA 0.337 4.887 4.550 -0.000 0.000 0.281 100 Y C 0.917 177.057 175.900 0.400 0.000 1.174 100 Y CA -0.243 57.956 58.100 0.164 0.000 1.295 100 Y CB 0.298 38.811 38.460 0.089 0.000 1.062 100 Y HN 0.386 nan 8.280 nan 0.000 0.522 101 W N 1.437 122.900 121.300 0.271 0.000 2.024 101 W HA 0.671 5.331 4.660 -0.000 0.000 0.318 101 W C 0.136 176.651 176.519 -0.006 0.000 0.817 101 W CA -2.141 55.303 57.345 0.165 0.000 1.745 101 W CB -0.699 28.834 29.460 0.122 0.000 1.940 101 W HN -0.165 nan 8.180 nan 0.000 0.346 102 A N 2.299 125.196 122.820 0.130 0.000 2.445 102 A HA 0.364 4.684 4.320 -0.000 0.000 0.242 102 A C 1.478 179.008 177.584 -0.090 0.000 1.075 102 A CA 0.197 52.110 52.037 -0.207 0.000 0.777 102 A CB 0.560 19.065 19.000 -0.825 0.000 1.013 102 A HN 0.650 nan 8.150 nan 0.000 0.493 103 R N -0.028 120.406 120.500 -0.110 0.000 2.507 103 R HA 0.172 4.512 4.340 -0.000 0.000 0.230 103 R C -1.062 175.357 176.300 0.199 0.000 0.897 103 R CA 0.443 56.600 56.100 0.096 0.000 1.006 103 R CB 0.774 31.126 30.300 0.087 0.000 1.341 103 R HN 0.592 nan 8.270 nan 0.000 0.604 104 D N -0.121 120.312 120.400 0.054 0.000 2.452 104 D HA 0.150 4.790 4.640 -0.000 0.000 0.226 104 D C -0.631 175.790 176.300 0.202 0.000 1.366 104 D CA -0.534 53.612 54.000 0.243 0.000 0.986 104 D CB 0.895 41.834 40.800 0.233 0.000 1.420 104 D HN 0.019 nan 8.370 nan 0.000 0.583 105 F N 1.790 122.010 119.950 0.450 0.000 2.802 105 F HA 0.156 4.683 4.527 -0.000 0.000 0.300 105 F C 2.118 178.211 175.800 0.488 0.000 1.168 105 F CA 0.576 58.838 58.000 0.437 0.000 1.433 105 F CB 0.334 39.546 39.000 0.354 0.000 1.115 105 F HN 0.113 nan 8.300 nan 0.000 0.582 106 K N -0.420 120.256 120.400 0.460 0.000 2.358 106 K HA 0.141 4.461 4.320 -0.000 0.000 0.200 106 K C 0.300 176.977 176.600 0.128 0.000 1.030 106 K CA 0.168 56.587 56.287 0.221 0.000 1.097 106 K CB 0.487 33.090 32.500 0.171 0.000 0.862 106 K HN 0.051 nan 8.250 nan 0.000 0.534 107 K N 0.553 121.096 120.400 0.238 0.000 2.395 107 K HA 0.244 4.564 4.320 -0.000 0.000 0.245 107 K C -0.112 176.671 176.600 0.306 0.000 1.017 107 K CA -0.634 55.763 56.287 0.183 0.000 0.852 107 K CB 1.948 34.531 32.500 0.138 0.000 1.311 107 K HN -0.035 nan 8.250 nan 0.000 0.452 108 T N -1.504 113.217 114.554 0.278 0.000 2.902 108 T HA 0.175 4.525 4.350 -0.000 0.000 0.280 108 T C 0.209 174.996 174.700 0.145 0.000 0.992 108 T CA -0.786 61.540 62.100 0.377 0.000 1.015 108 T CB 0.835 69.996 68.868 0.489 0.000 1.044 108 T HN 0.433 nan 8.240 nan 0.000 0.520 109 N N 2.332 121.040 118.700 0.014 0.000 2.415 109 N HA 0.227 4.967 4.740 -0.000 0.000 0.246 109 N C -1.484 173.857 175.510 -0.282 0.000 1.078 109 N CA -2.474 50.411 53.050 -0.274 0.000 0.942 109 N CB 1.067 39.133 38.487 -0.701 0.000 1.140 109 N HN 0.348 nan 8.380 nan 0.000 0.501 110 P HA -0.156 nan 4.420 nan 0.000 0.218 110 P C 0.792 177.984 177.300 -0.180 0.000 1.146 110 P CA 1.007 64.051 63.100 -0.094 0.000 0.813 110 P CB 0.199 31.892 31.700 -0.011 0.000 0.778 111 A N -1.138 121.510 122.820 -0.286 0.000 1.969 111 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 111 A C 2.060 179.566 177.584 -0.129 0.000 1.169 111 A CA 1.158 53.033 52.037 -0.270 0.000 0.635 111 A CB -1.449 17.279 19.000 -0.454 0.000 0.810 111 A HN 0.075 nan 8.150 nan 0.000 0.445 112 Y N -0.738 119.277 120.300 -0.475 0.000 2.314 112 Y HA 0.360 4.910 4.550 -0.000 0.000 0.294 112 Y C 1.605 176.914 175.900 -0.986 0.000 1.119 112 Y CA 0.225 57.744 58.100 -0.968 0.000 1.179 112 Y CB -0.773 36.709 38.460 -1.629 0.000 1.025 112 Y HN 0.443 nan 8.280 nan 0.000 0.541 113 G N -1.075 107.431 108.800 -0.489 0.000 2.359 113 G HA2 0.269 4.229 3.960 -0.000 0.000 0.293 113 G HA3 0.269 4.229 3.960 -0.000 0.000 0.293 113 G C -0.596 174.437 174.900 0.222 0.000 1.300 113 G CA -0.510 44.587 45.100 -0.005 0.000 0.888 113 G HN 0.206 nan 8.290 nan 0.000 0.541 114 T N -1.518 113.237 114.554 0.334 0.000 2.849 114 T HA 0.581 4.931 4.350 -0.000 0.000 0.276 114 T C 1.653 176.618 174.700 0.441 0.000 0.971 114 T CA -0.320 61.965 62.100 0.309 0.000 0.949 114 T CB 0.887 69.869 68.868 0.190 0.000 1.093 114 T HN 0.462 nan 8.240 nan 0.000 0.545 115 I N 0.726 121.469 120.570 0.290 0.000 2.286 115 I HA -0.130 4.040 4.170 -0.000 0.000 0.248 115 I C 2.998 179.262 176.117 0.245 0.000 1.115 115 I CA 1.796 63.240 61.300 0.240 0.000 1.392 115 I CB -1.956 36.101 38.000 0.094 0.000 1.065 115 I HN 0.879 nan 8.210 nan 0.000 0.418 116 A N 0.534 123.470 122.820 0.193 0.000 1.902 116 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 116 A C 2.004 179.699 177.584 0.184 0.000 1.181 116 A CA 1.882 54.011 52.037 0.153 0.000 0.623 116 A CB -0.552 18.516 19.000 0.114 0.000 0.818 116 A HN 0.346 nan 8.150 nan 0.000 0.443 117 D N -1.158 119.406 120.400 0.274 0.000 2.117 117 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 117 D C 1.614 178.082 176.300 0.281 0.000 0.987 117 D CA 1.157 55.355 54.000 0.328 0.000 0.829 117 D CB -0.424 40.680 40.800 0.506 0.000 0.961 117 D HN 0.457 nan 8.370 nan 0.000 0.460 118 F N 1.695 121.724 119.950 0.132 0.000 2.134 118 F HA -0.195 4.332 4.527 -0.000 0.000 0.299 118 F C 2.432 178.149 175.800 -0.137 0.000 1.097 118 F CA 1.503 59.364 58.000 -0.232 0.000 1.264 118 F CB -0.131 38.723 39.000 -0.243 0.000 1.001 118 F HN -0.063 nan 8.300 nan 0.000 0.479 119 Q N -0.170 119.682 119.800 0.086 0.000 2.084 119 Q HA -0.224 4.116 4.340 -0.000 0.000 0.202 119 Q C 1.915 177.858 176.000 -0.094 0.000 0.978 119 Q CA 1.576 57.378 55.803 -0.001 0.000 0.844 119 Q CB -0.432 28.346 28.738 0.065 0.000 0.898 119 Q HN 0.401 nan 8.270 nan 0.000 0.426 120 N N 0.803 119.476 118.700 -0.045 0.000 2.120 120 N HA -0.150 4.590 4.740 -0.000 0.000 0.188 120 N C 1.699 177.134 175.510 -0.126 0.000 1.024 120 N CA 0.799 53.821 53.050 -0.048 0.000 0.852 120 N CB -0.330 38.169 38.487 0.019 0.000 1.003 120 N HN 0.139 nan 8.380 nan 0.000 0.424 121 L N 1.343 122.438 121.223 -0.213 0.000 1.989 121 L HA -0.078 4.262 4.340 -0.000 0.000 0.211 121 L C 1.909 178.537 176.870 -0.403 0.000 1.071 121 L CA 1.431 56.083 54.840 -0.314 0.000 0.749 121 L CB -0.763 40.979 42.059 -0.527 0.000 0.890 121 L HN 0.042 nan 8.230 nan 0.000 0.431 122 I N 0.185 120.423 120.570 -0.553 0.000 2.151 122 I HA -0.313 3.857 4.170 -0.000 0.000 0.243 122 I C 2.685 178.468 176.117 -0.557 0.000 1.080 122 I CA 1.630 62.556 61.300 -0.623 0.000 1.339 122 I CB -1.905 35.787 38.000 -0.513 0.000 1.039 122 I HN 0.404 nan 8.210 nan 0.000 0.409 123 A N 0.819 123.464 122.820 -0.291 0.000 1.858 123 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 123 A C 2.605 180.129 177.584 -0.100 0.000 1.190 123 A CA 2.181 54.133 52.037 -0.142 0.000 0.617 123 A CB -0.927 18.032 19.000 -0.069 0.000 0.827 123 A HN 0.420 nan 8.150 nan 0.000 0.443 124 A N -0.087 122.670 122.820 -0.106 0.000 1.883 124 A HA 0.094 4.414 4.320 -0.000 0.000 0.217 124 A C 2.549 180.100 177.584 -0.056 0.000 1.186 124 A CA 2.506 54.505 52.037 -0.062 0.000 0.624 124 A CB -1.207 17.761 19.000 -0.053 0.000 0.822 124 A HN 1.118 nan 8.150 nan 0.000 0.444 125 A N -0.625 122.132 122.820 -0.106 0.000 1.851 125 A HA -0.240 4.080 4.320 -0.000 0.000 0.216 125 A C 1.942 179.549 177.584 0.039 0.000 1.195 125 A CA 1.819 53.820 52.037 -0.059 0.000 0.622 125 A CB -1.298 17.633 19.000 -0.116 0.000 0.831 125 A HN 0.763 nan 8.150 nan 0.000 0.444 126 H N -0.806 118.234 119.070 -0.051 0.000 2.390 126 H HA -0.094 4.462 4.556 -0.000 0.000 0.298 126 H C 2.407 177.710 175.328 -0.042 0.000 1.106 126 H CA 0.693 56.714 56.048 -0.045 0.000 1.297 126 H CB -0.033 29.705 29.762 -0.041 0.000 1.375 126 H HN 0.576 nan 8.280 nan 0.000 0.509 127 A N 0.925 123.795 122.820 0.084 0.000 2.019 127 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 127 A C 1.718 179.310 177.584 0.013 0.000 1.164 127 A CA 1.183 53.240 52.037 0.033 0.000 0.644 127 A CB 0.072 19.081 19.000 0.014 0.000 0.805 127 A HN 0.143 nan 8.150 nan 0.000 0.449 128 K N 0.066 120.474 120.400 0.013 0.000 2.493 128 K HA 0.110 4.430 4.320 -0.000 0.000 0.207 128 K C -0.296 176.297 176.600 -0.012 0.000 1.033 128 K CA -0.262 56.023 56.287 -0.004 0.000 1.161 128 K CB -0.032 32.463 32.500 -0.008 0.000 0.873 128 K HN 0.465 nan 8.250 nan 0.000 0.491 129 N N 0.802 119.498 118.700 -0.006 0.000 2.725 129 N HA -0.211 4.529 4.740 -0.000 0.000 0.249 129 N C -0.641 174.850 175.510 -0.032 0.000 1.103 129 N CA 0.737 53.766 53.050 -0.035 0.000 0.707 129 N CB -1.489 36.962 38.487 -0.059 0.000 1.043 129 N HN 0.337 nan 8.380 nan 0.000 0.553 130 I N 0.794 121.375 120.570 0.019 0.000 2.362 130 I HA 0.173 4.343 4.170 -0.000 0.000 0.289 130 I C 0.622 176.805 176.117 0.109 0.000 0.994 130 I CA -0.564 60.756 61.300 0.032 0.000 1.158 130 I CB 1.316 39.331 38.000 0.025 0.000 1.315 130 I HN -0.191 nan 8.210 nan 0.000 0.451 131 K N 4.680 125.128 120.400 0.079 0.000 2.202 131 K HA 0.525 4.845 4.320 -0.000 0.000 0.264 131 K C -0.884 175.870 176.600 0.256 0.000 1.010 131 K CA -0.538 55.849 56.287 0.166 0.000 0.940 131 K CB 1.544 34.046 32.500 0.004 0.000 0.983 131 K HN 0.272 nan 8.250 nan 0.000 0.475 132 V N 4.135 124.222 119.914 0.289 0.000 2.444 132 V HA 0.372 4.492 4.120 -0.000 0.000 0.294 132 V C -0.325 175.927 176.094 0.263 0.000 1.022 132 V CA -0.740 61.681 62.300 0.202 0.000 0.850 132 V CB 1.092 32.919 31.823 0.007 0.000 0.992 132 V HN 0.582 nan 8.190 nan 0.000 0.426 133 I N 5.951 126.680 120.570 0.264 0.000 2.441 133 I HA 0.585 4.755 4.170 -0.000 0.000 0.295 133 I C -0.263 175.964 176.117 0.182 0.000 0.994 133 I CA -0.664 60.758 61.300 0.202 0.000 1.144 133 I CB 1.936 40.049 38.000 0.188 0.000 1.314 133 I HN 0.624 nan 8.210 nan 0.000 0.445 134 I N 1.006 121.632 120.570 0.093 0.000 2.530 134 I HA 0.535 4.705 4.170 -0.000 0.000 0.297 134 I C -0.474 175.661 176.117 0.029 0.000 1.011 134 I CA -0.704 60.649 61.300 0.089 0.000 1.107 134 I CB 1.634 39.638 38.000 0.008 0.000 1.285 134 I HN 0.372 nan 8.210 nan 0.000 0.436 135 D N 4.267 124.740 120.400 0.123 0.000 2.382 135 D HA 0.272 4.912 4.640 -0.000 0.000 0.245 135 D C -1.555 174.840 176.300 0.158 0.000 1.120 135 D CA 0.568 54.643 54.000 0.125 0.000 0.890 135 D CB 1.121 42.036 40.800 0.190 0.000 1.201 135 D HN 0.472 nan 8.370 nan 0.000 0.433 136 F N 1.533 121.471 119.950 -0.021 0.000 2.585 136 F HA 0.469 4.996 4.527 -0.000 0.000 0.319 136 F C -0.846 175.003 175.800 0.081 0.000 1.165 136 F CA -0.903 57.106 58.000 0.015 0.000 0.949 136 F CB 1.730 40.718 39.000 -0.020 0.000 1.218 136 F HN 0.278 nan 8.300 nan 0.000 0.453 137 A N 7.528 130.224 122.820 -0.206 0.000 3.165 137 A HA 0.469 4.789 4.320 -0.000 0.000 0.331 137 A C -2.312 175.085 177.584 -0.310 0.000 1.034 137 A CA -1.112 50.837 52.037 -0.146 0.000 0.906 137 A CB -0.362 18.669 19.000 0.052 0.000 1.054 137 A HN 0.449 nan 8.150 nan 0.000 0.484 138 P HA -0.073 nan 4.420 nan 0.000 0.247 138 P C 0.711 177.915 177.300 -0.160 0.000 1.225 138 P CA 0.607 63.416 63.100 -0.486 0.000 0.768 138 P CB 0.013 31.484 31.700 -0.381 0.000 1.020 139 N N 0.697 119.292 118.700 -0.175 0.000 2.270 139 N HA -0.112 4.628 4.740 -0.000 0.000 0.181 139 N C 0.800 176.319 175.510 0.016 0.000 1.016 139 N CA 0.648 53.694 53.050 -0.007 0.000 0.870 139 N CB -0.007 38.526 38.487 0.078 0.000 0.979 139 N HN 0.300 nan 8.380 nan 0.000 0.431 140 H N -4.878 114.264 119.070 0.121 0.000 2.918 140 H HA 0.266 4.822 4.556 -0.000 0.000 0.303 140 H C -0.097 175.390 175.328 0.265 0.000 1.380 140 H CA -0.125 56.008 56.048 0.141 0.000 1.134 140 H CB 0.740 30.550 29.762 0.081 0.000 1.842 140 H HN 0.036 nan 8.280 nan 0.000 0.533 141 T N -0.735 114.074 114.554 0.426 0.000 3.535 141 T HA 0.324 4.673 4.350 -0.000 0.000 0.223 141 T C 0.693 175.584 174.700 0.318 0.000 0.933 141 T CA 0.859 63.173 62.100 0.356 0.000 1.445 141 T CB -0.511 68.544 68.868 0.311 0.000 1.286 141 T HN 0.845 nan 8.240 nan 0.000 0.436 142 S N 0.499 116.250 115.700 0.084 0.000 2.688 142 S HA 0.635 5.105 4.470 -0.000 0.000 0.275 142 S C -3.379 171.023 174.600 -0.329 0.000 1.175 142 S CA -1.567 56.560 58.200 -0.121 0.000 0.818 142 S CB 0.950 64.097 63.200 -0.087 0.000 1.157 142 S HN 0.210 nan 8.310 nan 0.000 0.482 143 P HA 0.478 nan 4.420 nan 0.000 0.265 143 P C -0.880 176.329 177.300 -0.153 0.000 1.193 143 P CA 0.389 63.294 63.100 -0.324 0.000 0.765 143 P CB 0.404 31.873 31.700 -0.385 0.000 0.823 144 A N 2.208 125.006 122.820 -0.038 0.000 2.609 144 A HA 0.733 5.053 4.320 -0.000 0.000 0.291 144 A C -1.107 176.517 177.584 0.066 0.000 1.096 144 A CA -0.465 51.587 52.037 0.024 0.000 0.684 144 A CB 1.514 20.338 19.000 -0.294 0.000 1.282 144 A HN 0.339 nan 8.150 nan 0.000 0.412 145 S N -0.306 115.509 115.700 0.193 0.000 2.736 145 S HA 0.473 4.943 4.470 -0.000 0.000 0.285 145 S C 0.952 175.674 174.600 0.203 0.000 1.163 145 S CA 0.224 58.499 58.200 0.124 0.000 1.025 145 S CB 1.006 64.170 63.200 -0.061 0.000 1.030 145 S HN 1.702 nan 8.310 nan 0.000 0.486 146 S N 3.517 119.371 115.700 0.257 0.000 2.368 146 S HA -0.117 4.353 4.470 -0.000 0.000 0.225 146 S C 1.096 175.713 174.600 0.027 0.000 1.030 146 S CA 1.331 59.585 58.200 0.090 0.000 0.999 146 S CB -0.538 62.620 63.200 -0.069 0.000 0.844 146 S HN 0.733 nan 8.310 nan 0.000 0.459 147 D N 0.982 121.394 120.400 0.019 0.000 2.219 147 D HA 0.045 4.685 4.640 -0.000 0.000 0.205 147 D C 0.808 177.111 176.300 0.005 0.000 0.970 147 D CA 0.965 54.962 54.000 -0.005 0.000 0.851 147 D CB -0.054 40.736 40.800 -0.017 0.000 0.943 147 D HN 0.331 nan 8.370 nan 0.000 0.488 148 Q N 0.022 119.837 119.800 0.025 0.000 2.674 148 Q HA 0.154 4.494 4.340 -0.000 0.000 0.249 148 Q C -2.052 174.005 176.000 0.094 0.000 1.011 148 Q CA -1.584 54.245 55.803 0.043 0.000 0.734 148 Q CB 2.173 30.926 28.738 0.024 0.000 1.201 148 Q HN 0.102 nan 8.270 nan 0.000 0.498 149 P HA -0.119 nan 4.420 nan 0.000 0.225 149 P C 0.982 178.326 177.300 0.074 0.000 1.148 149 P CA 0.937 64.081 63.100 0.074 0.000 0.779 149 P CB 0.308 32.034 31.700 0.043 0.000 0.780 150 S N -1.518 114.227 115.700 0.076 0.000 2.561 150 S HA -0.041 4.429 4.470 -0.000 0.000 0.225 150 S C 0.543 175.189 174.600 0.076 0.000 0.977 150 S CA -0.503 57.733 58.200 0.059 0.000 0.926 150 S CB -1.271 61.957 63.200 0.047 0.000 0.769 150 S HN 0.022 nan 8.310 nan 0.000 0.533 151 F N 3.641 123.569 119.950 -0.037 0.000 2.467 151 F HA 0.538 5.065 4.527 -0.000 0.000 0.362 151 F C 0.900 176.652 175.800 -0.080 0.000 1.090 151 F CA -0.307 57.654 58.000 -0.065 0.000 1.202 151 F CB -0.015 38.942 39.000 -0.072 0.000 1.113 151 F HN 0.495 nan 8.300 nan 0.000 0.541 152 A N 4.857 127.189 122.820 -0.814 0.000 5.584 152 A HA -0.340 3.980 4.320 -0.000 0.000 0.303 152 A C 0.946 178.356 177.584 -0.290 0.000 1.923 152 A CA 1.412 53.041 52.037 -0.679 0.000 0.717 152 A CB -1.474 16.924 19.000 -1.004 0.000 1.281 152 A HN 0.821 nan 8.150 nan 0.000 0.379 153 E N 1.102 121.172 120.200 -0.217 0.000 2.585 153 E HA 0.231 4.581 4.350 -0.000 0.000 0.206 153 E C 0.435 177.011 176.600 -0.041 0.000 1.007 153 E CA 0.352 56.715 56.400 -0.062 0.000 1.028 153 E CB -0.096 29.613 29.700 0.015 0.000 1.087 153 E HN 0.656 nan 8.360 nan 0.000 0.455 154 N N 0.744 119.399 118.700 -0.074 0.000 2.708 154 N HA -0.252 4.488 4.740 -0.000 0.000 0.249 154 N C 0.733 176.191 175.510 -0.086 0.000 1.097 154 N CA 0.443 53.480 53.050 -0.022 0.000 0.710 154 N CB -0.814 37.689 38.487 0.025 0.000 1.032 154 N HN 0.571 nan 8.380 nan 0.000 0.551 155 G N 0.097 108.811 108.800 -0.143 0.000 2.212 155 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.267 155 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.267 155 G C 0.236 175.103 174.900 -0.056 0.000 1.002 155 G CA 0.806 45.788 45.100 -0.197 0.000 0.729 155 G HN 0.659 nan 8.290 nan 0.000 0.517 156 R N -0.951 119.561 120.500 0.021 0.000 2.583 156 R HA 0.287 4.627 4.340 -0.000 0.000 0.274 156 R C 0.200 176.550 176.300 0.083 0.000 0.998 156 R CA -0.048 56.077 56.100 0.041 0.000 1.081 156 R CB 0.386 30.681 30.300 -0.008 0.000 0.940 156 R HN 0.292 nan 8.270 nan 0.000 0.413 157 L N 4.240 125.462 121.223 -0.002 0.000 2.322 157 L HA 0.394 4.734 4.340 -0.000 0.000 0.281 157 L C -1.485 175.235 176.870 -0.250 0.000 1.014 157 L CA -0.430 54.417 54.840 0.013 0.000 0.815 157 L CB 1.089 43.165 42.059 0.028 0.000 1.247 157 L HN 0.397 nan 8.230 nan 0.000 0.421 158 Y N 2.016 122.349 120.300 0.055 0.000 2.509 158 Y HA 0.497 5.047 4.550 -0.000 0.000 0.341 158 Y C -0.410 175.539 175.900 0.081 0.000 1.038 158 Y CA -0.746 57.385 58.100 0.051 0.000 1.089 158 Y CB 1.632 40.147 38.460 0.091 0.000 1.241 158 Y HN 0.521 nan 8.280 nan 0.000 0.468 159 D N 2.182 122.729 120.400 0.246 0.000 2.462 159 D HA 0.125 4.765 4.640 -0.000 0.000 0.249 159 D C -0.304 176.176 176.300 0.300 0.000 1.117 159 D CA -0.300 53.904 54.000 0.341 0.000 0.900 159 D CB -0.137 40.791 40.800 0.213 0.000 1.039 159 D HN 0.622 nan 8.370 nan 0.000 0.516 160 N N 3.307 122.190 118.700 0.305 0.000 2.727 160 N HA -0.243 4.497 4.740 -0.000 0.000 0.249 160 N C 0.924 176.526 175.510 0.155 0.000 1.048 160 N CA 2.064 55.229 53.050 0.192 0.000 0.714 160 N CB -1.122 37.452 38.487 0.145 0.000 0.959 160 N HN 0.792 nan 8.380 nan 0.000 0.544 161 G N -3.036 105.872 108.800 0.180 0.000 2.254 161 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.225 161 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.225 161 G C 0.204 175.246 174.900 0.238 0.000 1.003 161 G CA 0.276 45.455 45.100 0.133 0.000 0.622 161 G HN 0.705 nan 8.290 nan 0.000 0.507 162 T N 3.032 117.729 114.554 0.240 0.000 2.729 162 T HA 0.519 4.869 4.350 -0.000 0.000 0.296 162 T C 0.506 175.324 174.700 0.197 0.000 0.928 162 T CA -0.360 61.860 62.100 0.200 0.000 1.045 162 T CB 1.505 70.443 68.868 0.117 0.000 0.902 162 T HN 0.385 nan 8.240 nan 0.000 0.500 163 L N 5.618 126.935 121.223 0.157 0.000 2.534 163 L HA 0.123 4.463 4.340 -0.000 0.000 0.271 163 L C 0.762 177.530 176.870 -0.169 0.000 1.178 163 L CA 0.200 54.922 54.840 -0.196 0.000 0.907 163 L CB 0.232 42.204 42.059 -0.146 0.000 1.164 163 L HN 0.797 nan 8.230 nan 0.000 0.482 164 L N 5.003 126.075 121.223 -0.252 0.000 2.200 164 L HA 0.300 4.640 4.340 -0.000 0.000 0.200 164 L C 0.958 177.735 176.870 -0.155 0.000 1.072 164 L CA 0.709 55.435 54.840 -0.191 0.000 0.787 164 L CB 0.024 41.924 42.059 -0.265 0.000 0.957 164 L HN 0.814 nan 8.230 nan 0.000 0.459 165 G N -1.501 107.208 108.800 -0.151 0.000 2.316 165 G HA2 0.435 4.395 3.960 -0.000 0.000 0.296 165 G HA3 0.435 4.395 3.960 -0.000 0.000 0.296 165 G C -1.516 173.459 174.900 0.124 0.000 1.399 165 G CA -0.104 44.983 45.100 -0.022 0.000 0.833 165 G HN 0.176 nan 8.290 nan 0.000 0.565 166 G N -1.981 106.941 108.800 0.204 0.000 2.818 166 G HA2 0.510 4.470 3.960 -0.000 0.000 0.286 166 G HA3 0.510 4.470 3.960 -0.000 0.000 0.286 166 G C 0.160 175.167 174.900 0.178 0.000 1.364 166 G CA -0.322 44.886 45.100 0.179 0.000 0.938 166 G HN 0.626 nan 8.290 nan 0.000 0.490 167 Y N 0.393 120.516 120.300 -0.294 0.000 2.274 167 Y HA 0.054 4.604 4.550 -0.000 0.000 0.290 167 Y C 1.920 177.839 175.900 0.030 0.000 1.145 167 Y CA 1.351 59.277 58.100 -0.291 0.000 1.203 167 Y CB -0.074 38.155 38.460 -0.385 0.000 0.984 167 Y HN 0.310 nan 8.280 nan 0.000 0.533 168 T N 1.769 116.340 114.554 0.029 0.000 2.897 168 T HA 0.056 4.406 4.350 -0.000 0.000 0.294 168 T C 0.229 174.906 174.700 -0.038 0.000 1.004 168 T CA -0.386 61.696 62.100 -0.029 0.000 1.106 168 T CB 0.408 69.280 68.868 0.007 0.000 0.949 168 T HN 0.289 nan 8.240 nan 0.000 0.520 169 N N 1.802 120.450 118.700 -0.088 0.000 2.727 169 N HA -0.164 4.576 4.740 -0.000 0.000 0.249 169 N C -0.632 174.842 175.510 -0.060 0.000 1.048 169 N CA 0.243 53.245 53.050 -0.080 0.000 0.714 169 N CB -0.442 38.019 38.487 -0.044 0.000 0.959 169 N HN 0.689 nan 8.380 nan 0.000 0.544 170 D N 0.380 120.728 120.400 -0.086 0.000 2.801 170 D HA 0.085 4.724 4.640 -0.000 0.000 0.232 170 D C 1.677 177.944 176.300 -0.056 0.000 1.128 170 D CA 0.411 54.417 54.000 0.011 0.000 1.003 170 D CB 0.039 40.963 40.800 0.207 0.000 1.110 170 D HN 0.392 nan 8.370 nan 0.000 0.477 171 T N -0.975 113.543 114.554 -0.060 0.000 2.759 171 T HA -0.276 4.074 4.350 -0.000 0.000 0.269 171 T C 1.635 176.303 174.700 -0.053 0.000 1.042 171 T CA 1.151 63.211 62.100 -0.066 0.000 1.140 171 T CB -0.244 68.592 68.868 -0.053 0.000 0.864 171 T HN 0.350 nan 8.240 nan 0.000 0.455 172 Q N 1.064 120.838 119.800 -0.043 0.000 2.297 172 Q HA 0.104 4.444 4.340 -0.000 0.000 0.204 172 Q C 0.235 176.199 176.000 -0.060 0.000 0.962 172 Q CA 0.351 56.121 55.803 -0.055 0.000 0.879 172 Q CB -0.307 28.387 28.738 -0.073 0.000 0.947 172 Q HN 0.682 nan 8.270 nan 0.000 0.462 173 N N -0.453 118.230 118.700 -0.029 0.000 2.771 173 N HA -0.166 4.574 4.740 -0.000 0.000 0.249 173 N C 0.024 175.465 175.510 -0.116 0.000 1.069 173 N CA -0.113 52.935 53.050 -0.002 0.000 0.688 173 N CB -1.000 37.477 38.487 -0.016 0.000 0.928 173 N HN 0.206 nan 8.380 nan 0.000 0.551 174 L N -1.340 119.749 121.223 -0.223 0.000 2.313 174 L HA 0.123 4.463 4.340 -0.000 0.000 0.214 174 L C 0.415 176.813 176.870 -0.786 0.000 1.119 174 L CA 0.913 55.405 54.840 -0.580 0.000 0.809 174 L CB -0.097 41.448 42.059 -0.856 0.000 0.933 174 L HN 0.166 nan 8.230 nan 0.000 0.449 175 F N -2.584 117.287 119.950 -0.132 0.000 2.618 175 F HA 0.406 4.933 4.527 -0.000 0.000 0.332 175 F C 0.308 175.916 175.800 -0.319 0.000 1.061 175 F CA -1.057 56.805 58.000 -0.231 0.000 0.974 175 F CB 0.715 39.695 39.000 -0.033 0.000 1.310 175 F HN -0.243 nan 8.300 nan 0.000 0.491 176 H N -0.246 118.830 119.070 0.009 0.000 2.481 176 H HA 0.336 4.892 4.556 -0.000 0.000 0.339 176 H C -0.616 174.537 175.328 -0.291 0.000 1.131 176 H CA -0.440 55.572 56.048 -0.060 0.000 1.301 176 H CB 0.760 30.528 29.762 0.011 0.000 1.476 176 H HN 0.467 nan 8.280 nan 0.000 0.529 177 H N 2.464 121.642 119.070 0.181 0.000 2.471 177 H HA 0.145 4.701 4.556 -0.000 0.000 0.234 177 H C -0.234 175.110 175.328 0.025 0.000 1.388 177 H CA -0.265 55.816 56.048 0.055 0.000 1.198 177 H CB 0.207 29.907 29.762 -0.104 0.000 1.714 177 H HN 0.650 nan 8.280 nan 0.000 0.536 178 N N 1.009 119.760 118.700 0.086 0.000 2.338 178 N HA 0.164 4.904 4.740 -0.000 0.000 0.251 178 N C 1.118 176.620 175.510 -0.012 0.000 1.199 178 N CA 0.513 53.568 53.050 0.008 0.000 0.879 178 N CB 1.990 40.449 38.487 -0.046 0.000 1.159 178 N HN 0.672 nan 8.380 nan 0.000 0.514 179 G N 0.046 108.857 108.800 0.019 0.000 2.693 179 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.226 179 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.226 179 G C -0.025 174.841 174.900 -0.057 0.000 1.354 179 G CA -0.483 44.609 45.100 -0.012 0.000 0.873 179 G HN 0.430 nan 8.290 nan 0.000 0.562 180 G N -1.151 107.593 108.800 -0.094 0.000 2.410 180 G HA2 0.690 4.650 3.960 -0.000 0.000 0.330 180 G HA3 0.690 4.650 3.960 -0.000 0.000 0.330 180 G C 0.246 175.014 174.900 -0.220 0.000 1.142 180 G CA 1.032 46.035 45.100 -0.161 0.000 0.902 180 G HN 1.368 nan 8.290 nan 0.000 0.491 181 T N -0.912 113.428 114.554 -0.356 0.000 2.899 181 T HA 0.246 4.596 4.350 -0.000 0.000 0.295 181 T C 0.776 175.175 174.700 -0.503 0.000 1.033 181 T CA 0.139 61.959 62.100 -0.467 0.000 1.084 181 T CB 0.844 69.296 68.868 -0.693 0.000 0.979 181 T HN 0.590 nan 8.240 nan 0.000 0.532 182 D N 2.065 122.261 120.400 -0.340 0.000 2.440 182 D HA 0.077 4.717 4.640 -0.000 0.000 0.216 182 D C 0.506 176.833 176.300 0.046 0.000 1.150 182 D CA -0.425 53.501 54.000 -0.124 0.000 0.832 182 D CB -0.724 40.048 40.800 -0.046 0.000 0.992 182 D HN 0.603 nan 8.370 nan 0.000 0.502 183 F N 0.446 120.350 119.950 -0.076 0.000 3.069 183 F HA -0.321 4.206 4.527 -0.000 0.000 0.285 183 F C 1.931 177.697 175.800 -0.057 0.000 0.827 183 F CA 0.734 58.696 58.000 -0.064 0.000 1.108 183 F CB -2.541 36.421 39.000 -0.062 0.000 1.252 183 F HN 0.188 nan 8.300 nan 0.000 0.483 184 S N -1.342 114.386 115.700 0.046 0.000 2.387 184 S HA 0.053 4.523 4.470 -0.000 0.000 0.226 184 S C 0.982 175.583 174.600 0.003 0.000 1.026 184 S CA 1.176 59.390 58.200 0.023 0.000 0.972 184 S CB -0.028 63.164 63.200 -0.013 0.000 0.814 184 S HN 0.675 nan 8.310 nan 0.000 0.477 185 T N -3.209 111.321 114.554 -0.040 0.000 2.896 185 T HA 0.519 4.869 4.350 -0.000 0.000 0.297 185 T C 0.677 175.311 174.700 -0.111 0.000 1.108 185 T CA -0.208 61.858 62.100 -0.057 0.000 1.004 185 T CB 1.309 70.126 68.868 -0.084 0.000 1.159 185 T HN -0.043 nan 8.240 nan 0.000 0.499 186 T N 0.645 115.140 114.554 -0.099 0.000 2.652 186 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 186 T C 1.643 176.134 174.700 -0.348 0.000 1.039 186 T CA 1.960 63.960 62.100 -0.166 0.000 1.153 186 T CB -0.486 68.383 68.868 0.001 0.000 0.863 186 T HN 0.847 nan 8.240 nan 0.000 0.428 187 E N 1.170 121.057 120.200 -0.521 0.000 2.058 187 E HA -0.254 4.096 4.350 -0.000 0.000 0.194 187 E C 2.329 178.735 176.600 -0.323 0.000 0.997 187 E CA 1.168 57.105 56.400 -0.772 0.000 0.801 187 E CB -0.235 28.866 29.700 -0.999 0.000 0.746 187 E HN 0.390 nan 8.360 nan 0.000 0.450 188 N N 0.133 118.681 118.700 -0.252 0.000 2.104 188 N HA -0.140 4.600 4.740 -0.000 0.000 0.190 188 N C 1.935 177.311 175.510 -0.225 0.000 1.024 188 N CA 1.638 54.573 53.050 -0.191 0.000 0.853 188 N CB -0.377 38.011 38.487 -0.165 0.000 1.008 188 N HN 0.264 nan 8.380 nan 0.000 0.424 189 G N 0.380 109.032 108.800 -0.247 0.000 2.534 189 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.217 189 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.217 189 G C 1.719 176.525 174.900 -0.157 0.000 1.128 189 G CA 0.133 45.108 45.100 -0.208 0.000 0.784 189 G HN 0.323 nan 8.290 nan 0.000 0.542 190 I N -1.267 119.109 120.570 -0.324 0.000 2.429 190 I HA 0.058 4.228 4.170 -0.000 0.000 0.247 190 I C 1.474 177.252 176.117 -0.566 0.000 1.099 190 I CA 0.571 61.587 61.300 -0.473 0.000 1.422 190 I CB 0.133 37.697 38.000 -0.727 0.000 1.112 190 I HN 0.084 nan 8.210 nan 0.000 0.430 191 Y N 1.360 121.513 120.300 -0.245 0.000 2.468 191 Y HA 0.260 4.809 4.550 -0.000 0.000 0.268 191 Y C 0.526 176.208 175.900 -0.364 0.000 1.177 191 Y CA -0.102 57.749 58.100 -0.415 0.000 1.265 191 Y CB -0.134 38.089 38.460 -0.395 0.000 1.103 191 Y HN -0.049 nan 8.280 nan 0.000 0.522 192 K N 0.126 120.433 120.400 -0.156 0.000 2.350 192 K HA 0.314 4.634 4.320 -0.000 0.000 0.241 192 K C -0.715 175.796 176.600 -0.147 0.000 0.994 192 K CA -1.259 54.947 56.287 -0.135 0.000 0.839 192 K CB 1.101 33.498 32.500 -0.172 0.000 1.244 192 K HN -0.116 nan 8.250 nan 0.000 0.443 193 N N 1.296 119.911 118.700 -0.142 0.000 2.479 193 N HA 0.059 4.799 4.740 -0.000 0.000 0.257 193 N C -0.451 174.863 175.510 -0.326 0.000 1.232 193 N CA 0.009 52.947 53.050 -0.187 0.000 0.920 193 N CB 0.408 38.786 38.487 -0.181 0.000 1.105 193 N HN 0.369 nan 8.380 nan 0.000 0.444 194 L N 4.194 125.187 121.223 -0.383 0.000 2.283 194 L HA 0.108 4.448 4.340 -0.000 0.000 0.287 194 L C -0.079 176.482 176.870 -0.516 0.000 1.073 194 L CA -0.049 54.404 54.840 -0.645 0.000 0.822 194 L CB -0.478 41.186 42.059 -0.659 0.000 1.186 194 L HN 0.589 nan 8.230 nan 0.000 0.436 195 Y N 1.615 121.790 120.300 -0.209 0.000 2.877 195 Y HA -0.409 4.141 4.550 -0.000 0.000 0.467 195 Y C 1.287 177.072 175.900 -0.191 0.000 1.185 195 Y CA 1.139 59.136 58.100 -0.171 0.000 2.565 195 Y CB -1.100 37.259 38.460 -0.168 0.000 1.217 195 Y HN 0.789 nan 8.280 nan 0.000 0.629 196 D N 0.908 121.321 120.400 0.021 0.000 2.402 196 D HA 0.258 4.898 4.640 -0.000 0.000 0.216 196 D C -0.229 175.947 176.300 -0.206 0.000 1.128 196 D CA 0.032 53.974 54.000 -0.096 0.000 0.833 196 D CB -0.609 40.169 40.800 -0.036 0.000 0.971 196 D HN 0.429 nan 8.370 nan 0.000 0.503 197 L N 1.157 122.249 121.223 -0.219 0.000 2.410 197 L HA 0.370 4.710 4.340 -0.000 0.000 0.273 197 L C 0.782 177.446 176.870 -0.343 0.000 1.152 197 L CA -0.869 53.789 54.840 -0.303 0.000 0.855 197 L CB 0.632 42.444 42.059 -0.411 0.000 1.129 197 L HN 0.009 nan 8.230 nan 0.000 0.463 198 A N 2.712 125.270 122.820 -0.436 0.000 2.505 198 A HA 0.022 4.342 4.320 -0.000 0.000 0.271 198 A C -0.029 177.510 177.584 -0.074 0.000 1.112 198 A CA -0.236 51.437 52.037 -0.608 0.000 0.781 198 A CB -0.366 18.104 19.000 -0.884 0.000 1.059 198 A HN 0.735 nan 8.150 nan 0.000 0.508 199 D N 2.581 122.972 120.400 -0.015 0.000 2.339 199 D HA 0.333 4.973 4.640 -0.000 0.000 0.256 199 D C 0.073 176.419 176.300 0.076 0.000 1.214 199 D CA 0.229 54.290 54.000 0.101 0.000 0.877 199 D CB 0.319 41.206 40.800 0.145 0.000 1.111 199 D HN 0.484 nan 8.370 nan 0.000 0.478 200 L N 3.580 124.765 121.223 -0.064 0.000 2.416 200 L HA 0.117 4.457 4.340 -0.000 0.000 0.272 200 L C 0.664 177.055 176.870 -0.799 0.000 1.161 200 L CA -0.247 54.336 54.840 -0.428 0.000 0.845 200 L CB 0.398 42.125 42.059 -0.553 0.000 1.119 200 L HN 0.417 nan 8.230 nan 0.000 0.464 201 N N 1.330 119.524 118.700 -0.842 0.000 2.558 201 N HA 0.105 4.845 4.740 -0.000 0.000 0.233 201 N C 0.443 175.581 175.510 -0.621 0.000 1.038 201 N CA -0.246 52.314 53.050 -0.817 0.000 0.934 201 N CB 0.373 38.499 38.487 -0.603 0.000 1.175 201 N HN 0.420 nan 8.380 nan 0.000 0.512 202 H N 1.148 119.948 119.070 -0.449 0.000 2.563 202 H HA 0.027 4.583 4.556 -0.000 0.000 0.272 202 H C 1.026 176.189 175.328 -0.276 0.000 1.005 202 H CA 0.517 56.192 56.048 -0.622 0.000 1.171 202 H CB 0.230 29.158 29.762 -1.389 0.000 1.351 202 H HN 0.533 nan 8.280 nan 0.000 0.602 203 N N 0.520 119.201 118.700 -0.032 0.000 2.412 203 N HA -0.104 4.636 4.740 -0.000 0.000 0.184 203 N C 0.084 175.603 175.510 0.014 0.000 1.101 203 N CA -0.055 53.033 53.050 0.063 0.000 0.881 203 N CB 0.170 38.727 38.487 0.117 0.000 0.969 203 N HN 0.164 nan 8.380 nan 0.000 0.459 204 N N 0.361 119.019 118.700 -0.070 0.000 2.411 204 N HA 0.041 4.781 4.740 -0.000 0.000 0.259 204 N C 0.234 175.728 175.510 -0.028 0.000 1.103 204 N CA 0.185 53.191 53.050 -0.075 0.000 0.954 204 N CB 1.097 39.486 38.487 -0.164 0.000 1.085 204 N HN 0.013 nan 8.380 nan 0.000 0.485 205 S N 2.546 118.255 115.700 0.015 0.000 2.374 205 S HA -0.154 4.316 4.470 -0.000 0.000 0.227 205 S C 1.578 176.213 174.600 0.058 0.000 1.037 205 S CA 1.872 60.106 58.200 0.057 0.000 1.024 205 S CB -0.105 63.127 63.200 0.052 0.000 0.861 205 S HN 0.735 nan 8.310 nan 0.000 0.456 206 T N 1.785 116.347 114.554 0.013 0.000 2.652 206 T HA -0.096 4.254 4.350 -0.000 0.000 0.267 206 T C 1.907 176.634 174.700 0.044 0.000 1.039 206 T CA 1.514 63.623 62.100 0.015 0.000 1.153 206 T CB -0.504 68.333 68.868 -0.052 0.000 0.863 206 T HN 0.212 nan 8.240 nan 0.000 0.428 207 V N 1.781 121.671 119.914 -0.040 0.000 2.295 207 V HA -0.202 3.918 4.120 -0.000 0.000 0.246 207 V C 2.389 178.559 176.094 0.127 0.000 1.049 207 V CA 2.191 64.463 62.300 -0.048 0.000 1.024 207 V CB -0.717 30.940 31.823 -0.277 0.000 0.648 207 V HN 0.540 nan 8.190 nan 0.000 0.447 208 D N 0.072 120.562 120.400 0.149 0.000 2.092 208 D HA -0.169 4.471 4.640 -0.000 0.000 0.193 208 D C 1.988 178.508 176.300 0.368 0.000 0.994 208 D CA 1.813 56.039 54.000 0.375 0.000 0.828 208 D CB -0.173 40.859 40.800 0.388 0.000 0.963 208 D HN 0.181 nan 8.370 nan 0.000 0.450 209 V N -0.150 119.911 119.914 0.246 0.000 2.427 209 V HA -0.203 3.917 4.120 -0.000 0.000 0.248 209 V C 2.107 178.325 176.094 0.207 0.000 1.051 209 V CA 1.813 64.229 62.300 0.193 0.000 1.048 209 V CB -0.878 31.027 31.823 0.138 0.000 0.666 209 V HN 0.351 nan 8.190 nan 0.000 0.456 210 Y N 0.674 121.042 120.300 0.113 0.000 2.114 210 Y HA -0.234 4.316 4.550 -0.000 0.000 0.284 210 Y C 2.200 178.202 175.900 0.170 0.000 1.143 210 Y CA 1.818 59.986 58.100 0.113 0.000 1.135 210 Y CB -0.358 38.146 38.460 0.075 0.000 0.980 210 Y HN 0.147 nan 8.280 nan 0.000 0.499 211 L N 0.074 121.390 121.223 0.155 0.000 2.083 211 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 211 L C 2.403 179.459 176.870 0.311 0.000 1.083 211 L CA 1.732 56.666 54.840 0.156 0.000 0.752 211 L CB -0.472 41.807 42.059 0.366 0.000 0.899 211 L HN 0.159 nan 8.230 nan 0.000 0.433 212 K N -0.418 120.153 120.400 0.286 0.000 2.155 212 K HA -0.130 4.190 4.320 -0.000 0.000 0.203 212 K C 1.674 178.260 176.600 -0.025 0.000 1.052 212 K CA 1.058 57.418 56.287 0.121 0.000 0.948 212 K CB 0.012 32.556 32.500 0.073 0.000 0.728 212 K HN 0.194 nan 8.250 nan 0.000 0.448 213 D N 0.366 120.752 120.400 -0.024 0.000 2.149 213 D HA -0.072 4.568 4.640 -0.000 0.000 0.201 213 D C 1.787 178.035 176.300 -0.087 0.000 0.972 213 D CA 1.102 55.053 54.000 -0.082 0.000 0.835 213 D CB -0.120 40.651 40.800 -0.048 0.000 0.966 213 D HN 0.171 nan 8.370 nan 0.000 0.476 214 A N 0.964 123.734 122.820 -0.083 0.000 1.865 214 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 214 A C 2.219 179.922 177.584 0.198 0.000 1.191 214 A CA 1.058 53.120 52.037 0.042 0.000 0.623 214 A CB -0.772 18.282 19.000 0.091 0.000 0.826 214 A HN 0.204 nan 8.150 nan 0.000 0.444 215 I N 0.138 120.807 120.570 0.165 0.000 2.335 215 I HA -0.224 3.946 4.170 -0.000 0.000 0.251 215 I C 2.155 178.280 176.117 0.013 0.000 1.129 215 I CA 1.544 62.851 61.300 0.012 0.000 1.402 215 I CB -0.281 37.624 38.000 -0.157 0.000 1.069 215 I HN 0.267 nan 8.210 nan 0.000 0.424 216 K N -0.314 120.043 120.400 -0.071 0.000 2.063 216 K HA -0.238 4.082 4.320 -0.000 0.000 0.208 216 K C 2.150 178.730 176.600 -0.032 0.000 1.048 216 K CA 1.977 58.202 56.287 -0.102 0.000 0.928 216 K CB -0.499 31.804 32.500 -0.329 0.000 0.713 216 K HN 0.447 nan 8.250 nan 0.000 0.442 217 M N 0.002 119.530 119.600 -0.118 0.000 2.080 217 M HA -0.199 4.281 4.480 -0.000 0.000 0.260 217 M C 1.606 177.742 176.300 -0.273 0.000 1.068 217 M CA 1.912 57.063 55.300 -0.250 0.000 1.109 217 M CB -0.247 32.089 32.600 -0.439 0.000 1.342 217 M HN 0.175 nan 8.290 nan 0.000 0.405 218 W N 0.612 121.889 121.300 -0.038 0.000 2.388 218 W HA -0.070 4.590 4.660 0.000 0.000 0.294 218 W C 2.080 178.620 176.519 0.033 0.000 1.212 218 W CA 0.700 58.018 57.345 -0.045 0.000 1.271 218 W CB -0.546 28.848 29.460 -0.109 0.000 1.126 218 W HN 0.205 nan 8.180 nan 0.000 0.535 219 L N -0.032 121.321 121.223 0.216 0.000 2.046 219 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 219 L C 1.939 178.911 176.870 0.170 0.000 1.077 219 L CA 1.217 56.171 54.840 0.189 0.000 0.747 219 L CB -0.737 41.444 42.059 0.203 0.000 0.896 219 L HN -0.090 nan 8.230 nan 0.000 0.432 220 D N 0.033 120.522 120.400 0.150 0.000 2.219 220 D HA -0.119 4.521 4.640 -0.000 0.000 0.205 220 D C 2.222 178.578 176.300 0.094 0.000 0.970 220 D CA 1.037 55.103 54.000 0.111 0.000 0.851 220 D CB -0.036 40.812 40.800 0.080 0.000 0.943 220 D HN 0.287 nan 8.370 nan 0.000 0.488 221 L N -0.644 120.648 121.223 0.115 0.000 2.552 221 L HA 0.092 4.432 4.340 -0.000 0.000 0.227 221 L C 1.413 178.421 176.870 0.231 0.000 1.146 221 L CA 0.577 55.525 54.840 0.180 0.000 0.858 221 L CB -0.041 42.164 42.059 0.244 0.000 0.969 221 L HN 0.158 nan 8.230 nan 0.000 0.451 222 G N 0.810 109.739 108.800 0.214 0.000 2.134 222 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.209 222 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.209 222 G C 0.409 175.466 174.900 0.261 0.000 0.993 222 G CA 0.063 45.292 45.100 0.215 0.000 0.669 222 G HN 0.405 nan 8.290 nan 0.000 0.519 223 I N -2.212 118.531 120.570 0.288 0.000 2.948 223 I HA 0.366 4.536 4.170 -0.000 0.000 0.290 223 I C 0.522 176.798 176.117 0.265 0.000 1.226 223 I CA 0.302 61.772 61.300 0.282 0.000 1.413 223 I CB 0.565 38.743 38.000 0.296 0.000 1.352 223 I HN -0.046 nan 8.210 nan 0.000 0.597 224 D N 3.542 124.126 120.400 0.307 0.000 2.407 224 D HA 0.287 4.927 4.640 -0.000 0.000 0.208 224 D C 0.597 177.158 176.300 0.435 0.000 1.083 224 D CA 0.328 54.545 54.000 0.362 0.000 0.844 224 D CB 1.259 42.303 40.800 0.407 0.000 0.967 224 D HN 0.864 nan 8.370 nan 0.000 0.506 225 G N 0.407 109.375 108.800 0.281 0.000 2.523 225 G HA2 0.546 4.506 3.960 -0.000 0.000 0.291 225 G HA3 0.546 4.506 3.960 -0.000 0.000 0.291 225 G C -1.832 173.067 174.900 -0.003 0.000 1.450 225 G CA -0.714 44.465 45.100 0.132 0.000 0.790 225 G HN -0.002 nan 8.290 nan 0.000 0.496 226 I N 0.343 120.818 120.570 -0.158 0.000 2.619 226 I HA 0.508 4.678 4.170 -0.000 0.000 0.292 226 I C -0.292 175.437 176.117 -0.645 0.000 1.100 226 I CA -0.954 60.190 61.300 -0.260 0.000 1.043 226 I CB 2.487 40.400 38.000 -0.145 0.000 1.239 226 I HN 0.308 nan 8.210 nan 0.000 0.420 227 R N 7.300 127.365 120.500 -0.724 0.000 2.247 227 R HA 0.427 4.767 4.340 -0.000 0.000 0.329 227 R C -1.141 174.887 176.300 -0.455 0.000 1.014 227 R CA -0.667 54.742 56.100 -1.151 0.000 0.907 227 R CB 0.846 30.287 30.300 -1.432 0.000 1.146 227 R HN 0.578 nan 8.270 nan 0.000 0.499 228 M N 3.389 122.790 119.600 -0.332 0.000 2.184 228 M HA 0.202 4.681 4.480 -0.000 0.000 0.351 228 M C 0.361 176.677 176.300 0.028 0.000 1.395 228 M CA -0.246 55.024 55.300 -0.051 0.000 1.117 228 M CB 0.865 33.468 32.600 0.004 0.000 1.708 228 M HN 0.468 nan 8.290 nan 0.000 0.468 229 A N 3.724 126.607 122.820 0.105 0.000 2.340 229 A HA 0.620 4.940 4.320 -0.000 0.000 0.268 229 A C 0.954 178.615 177.584 0.129 0.000 1.100 229 A CA 0.129 52.266 52.037 0.165 0.000 0.803 229 A CB 0.177 19.332 19.000 0.259 0.000 1.043 229 A HN 1.316 nan 8.150 nan 0.000 0.488 230 A N 0.760 123.667 122.820 0.144 0.000 2.560 230 A HA -0.106 4.214 4.320 -0.000 0.000 0.299 230 A C 1.142 178.803 177.584 0.128 0.000 1.484 230 A CA 1.187 53.325 52.037 0.167 0.000 0.749 230 A CB -2.460 16.627 19.000 0.146 0.000 1.072 230 A HN 2.234 nan 8.150 nan 0.000 0.426 231 V N -2.012 117.936 119.914 0.056 0.000 2.759 231 V HA -0.108 4.012 4.120 -0.000 0.000 0.256 231 V C 1.818 177.760 176.094 -0.253 0.000 1.080 231 V CA 2.387 64.670 62.300 -0.029 0.000 1.101 231 V CB -0.593 31.232 31.823 0.004 0.000 0.698 231 V HN 0.656 nan 8.190 nan 0.000 0.477 232 K N -0.642 119.463 120.400 -0.491 0.000 2.525 232 K HA -0.020 4.300 4.320 -0.000 0.000 0.192 232 K C 1.210 177.337 176.600 -0.789 0.000 1.029 232 K CA 0.623 56.339 56.287 -0.951 0.000 1.029 232 K CB -0.096 31.448 32.500 -1.594 0.000 0.814 232 K HN 0.714 nan 8.250 nan 0.000 0.503 233 H N -0.883 118.074 119.070 -0.190 0.000 2.674 233 H HA 0.232 4.788 4.556 -0.000 0.000 0.274 233 H C -0.225 175.017 175.328 -0.143 0.000 1.121 233 H CA -0.045 55.894 56.048 -0.182 0.000 1.132 233 H CB 0.384 30.051 29.762 -0.159 0.000 1.606 233 H HN 0.101 nan 8.280 nan 0.000 0.558 234 M N 1.008 120.601 119.600 -0.012 0.000 2.591 234 M HA 0.360 4.840 4.480 -0.000 0.000 0.306 234 M C -2.681 173.636 176.300 0.028 0.000 1.190 234 M CA -1.973 53.325 55.300 -0.003 0.000 0.889 234 M CB 2.727 35.358 32.600 0.051 0.000 1.728 234 M HN -0.226 nan 8.290 nan 0.000 0.458 235 P HA -0.010 nan 4.420 nan 0.000 0.263 235 P C -0.031 177.461 177.300 0.321 0.000 1.195 235 P CA 0.096 63.203 63.100 0.011 0.000 0.762 235 P CB 0.103 31.887 31.700 0.140 0.000 0.799 236 F N 2.478 122.570 119.950 0.237 0.000 2.216 236 F HA -0.076 4.451 4.527 -0.000 0.000 0.300 236 F C 2.428 178.382 175.800 0.256 0.000 1.085 236 F CA 1.483 59.720 58.000 0.396 0.000 1.326 236 F CB -2.095 37.204 39.000 0.498 0.000 1.027 236 F HN 0.354 nan 8.300 nan 0.000 0.497 237 G N -1.256 107.751 108.800 0.345 0.000 2.402 237 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.216 237 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.216 237 G C 1.586 176.631 174.900 0.243 0.000 1.162 237 G CA 0.562 45.816 45.100 0.258 0.000 0.777 237 G HN 0.463 nan 8.290 nan 0.000 0.539 238 W N 1.429 122.809 121.300 0.133 0.000 2.358 238 W HA -0.051 4.609 4.660 -0.000 0.000 0.303 238 W C 2.789 179.382 176.519 0.125 0.000 1.208 238 W CA 1.614 59.026 57.345 0.111 0.000 1.274 238 W CB -0.073 29.417 29.460 0.050 0.000 1.138 238 W HN 0.283 nan 8.180 nan 0.000 0.515 239 Q N 0.183 120.075 119.800 0.153 0.000 2.124 239 Q HA -0.257 4.083 4.340 -0.000 0.000 0.202 239 Q C 2.172 178.134 176.000 -0.063 0.000 0.977 239 Q CA 1.829 57.638 55.803 0.008 0.000 0.850 239 Q CB -0.473 28.458 28.738 0.321 0.000 0.901 239 Q HN 0.359 nan 8.270 nan 0.000 0.429 240 K N 0.861 121.249 120.400 -0.020 0.000 2.097 240 K HA -0.160 4.160 4.320 -0.000 0.000 0.206 240 K C 2.299 178.835 176.600 -0.106 0.000 1.049 240 K CA 1.579 57.828 56.287 -0.062 0.000 0.933 240 K CB -0.097 32.393 32.500 -0.017 0.000 0.717 240 K HN 0.169 nan 8.250 nan 0.000 0.442 241 S N -0.143 115.465 115.700 -0.153 0.000 2.402 241 S HA -0.163 4.307 4.470 -0.000 0.000 0.229 241 S C 1.882 176.306 174.600 -0.293 0.000 1.021 241 S CA 0.700 58.784 58.200 -0.193 0.000 0.974 241 S CB -0.561 62.538 63.200 -0.169 0.000 0.800 241 S HN 0.461 nan 8.310 nan 0.000 0.484 242 F N 1.890 121.453 119.950 -0.645 0.000 2.146 242 F HA 0.085 4.612 4.527 -0.000 0.000 0.298 242 F C 2.273 177.892 175.800 -0.301 0.000 1.096 242 F CA 1.392 59.030 58.000 -0.603 0.000 1.275 242 F CB -0.229 38.223 39.000 -0.913 0.000 1.008 242 F HN 0.120 nan 8.300 nan 0.000 0.480 243 M N 0.496 120.037 119.600 -0.100 0.000 2.213 243 M HA -0.100 4.380 4.480 -0.000 0.000 0.263 243 M C 2.471 178.671 176.300 -0.166 0.000 1.062 243 M CA 1.443 56.674 55.300 -0.114 0.000 1.105 243 M CB -1.984 30.585 32.600 -0.052 0.000 1.385 243 M HN 0.339 nan 8.290 nan 0.000 0.417 244 A N 0.096 122.821 122.820 -0.157 0.000 1.898 244 A HA 0.032 4.352 4.320 -0.000 0.000 0.216 244 A C 2.451 179.952 177.584 -0.139 0.000 1.181 244 A CA 1.972 53.936 52.037 -0.122 0.000 0.620 244 A CB -0.916 18.028 19.000 -0.094 0.000 0.819 244 A HN 0.449 nan 8.150 nan 0.000 0.442 245 A N -0.477 122.213 122.820 -0.216 0.000 1.883 245 A HA -0.062 4.257 4.320 -0.000 0.000 0.217 245 A C 2.265 179.722 177.584 -0.212 0.000 1.186 245 A CA 1.989 53.890 52.037 -0.228 0.000 0.624 245 A CB -1.048 17.754 19.000 -0.330 0.000 0.822 245 A HN 0.391 nan 8.150 nan 0.000 0.444 246 V N 0.829 120.550 119.914 -0.322 0.000 2.261 246 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 246 V C 2.317 178.377 176.094 -0.056 0.000 1.047 246 V CA 2.271 64.444 62.300 -0.212 0.000 1.015 246 V CB -0.994 30.658 31.823 -0.286 0.000 0.642 246 V HN 0.567 nan 8.190 nan 0.000 0.446 247 N N 0.809 119.469 118.700 -0.068 0.000 2.166 247 N HA -0.113 4.627 4.740 -0.000 0.000 0.186 247 N C 1.448 176.962 175.510 0.008 0.000 1.019 247 N CA 1.136 54.176 53.050 -0.017 0.000 0.856 247 N CB -0.554 37.919 38.487 -0.024 0.000 0.993 247 N HN 0.444 nan 8.380 nan 0.000 0.426 248 N N -0.452 118.252 118.700 0.006 0.000 2.461 248 N HA -0.061 4.679 4.740 -0.000 0.000 0.188 248 N C 0.705 176.270 175.510 0.092 0.000 1.134 248 N CA 0.209 53.277 53.050 0.030 0.000 0.878 248 N CB 0.185 38.678 38.487 0.010 0.000 0.972 248 N HN 0.387 nan 8.380 nan 0.000 0.456 249 Y N 0.689 120.955 120.300 -0.058 0.000 2.972 249 Y HA 0.338 4.888 4.550 -0.000 0.000 0.211 249 Y C -0.461 175.420 175.900 -0.031 0.000 0.969 249 Y CA 0.450 58.520 58.100 -0.049 0.000 1.574 249 Y CB 0.643 39.060 38.460 -0.072 0.000 1.364 249 Y HN -0.318 nan 8.280 nan 0.000 0.467 250 K N 2.639 122.974 120.400 -0.108 0.000 2.675 250 K HA 0.314 4.634 4.320 -0.000 0.000 0.224 250 K C -2.919 173.673 176.600 -0.013 0.000 1.003 250 K CA -2.074 54.115 56.287 -0.164 0.000 1.034 250 K CB 1.707 34.056 32.500 -0.253 0.000 1.218 250 K HN 0.074 nan 8.250 nan 0.000 0.507 251 P HA -0.006 nan 4.420 nan 0.000 0.267 251 P C -0.339 177.011 177.300 0.083 0.000 1.209 251 P CA -0.228 62.897 63.100 0.042 0.000 0.763 251 P CB 0.956 32.691 31.700 0.058 0.000 0.816 252 V N 1.716 121.690 119.914 0.101 0.000 2.841 252 V HA 0.480 4.600 4.120 -0.000 0.000 0.310 252 V C -0.432 175.781 176.094 0.199 0.000 1.090 252 V CA -1.476 60.929 62.300 0.175 0.000 0.930 252 V CB 1.637 33.555 31.823 0.158 0.000 1.014 252 V HN 0.322 nan 8.190 nan 0.000 0.425 253 F N 3.485 123.532 119.950 0.161 0.000 2.580 253 F HA 0.442 4.969 4.527 -0.000 0.000 0.398 253 F C 0.460 176.275 175.800 0.026 0.000 1.023 253 F CA 1.254 59.322 58.000 0.114 0.000 1.188 253 F CB 0.053 39.126 39.000 0.121 0.000 1.005 253 F HN 0.806 nan 8.300 nan 0.000 0.546 254 T N 8.284 122.498 114.554 -0.568 0.000 2.848 254 T HA 0.599 4.949 4.350 -0.000 0.000 0.285 254 T C -1.152 173.249 174.700 -0.498 0.000 0.995 254 T CA -0.321 61.500 62.100 -0.465 0.000 0.970 254 T CB 0.985 69.738 68.868 -0.192 0.000 0.976 254 T HN 0.418 nan 8.240 nan 0.000 0.441 255 F N -0.340 119.296 119.950 -0.524 0.000 2.578 255 F HA 0.891 5.418 4.527 -0.000 0.000 0.311 255 F C -0.010 175.713 175.800 -0.129 0.000 1.094 255 F CA -1.412 56.388 58.000 -0.332 0.000 0.923 255 F CB 1.027 39.804 39.000 -0.372 0.000 1.230 255 F HN 0.695 nan 8.300 nan 0.000 0.450 256 G N 0.249 109.130 108.800 0.135 0.000 2.441 256 G HA2 0.639 4.599 3.960 -0.000 0.000 0.334 256 G HA3 0.639 4.599 3.960 -0.000 0.000 0.334 256 G C -1.509 173.554 174.900 0.271 0.000 1.161 256 G CA -0.915 44.276 45.100 0.152 0.000 0.935 256 G HN 1.084 nan 8.290 nan 0.000 0.488 257 A N 1.199 124.171 122.820 0.254 0.000 2.366 257 A HA 0.507 4.827 4.320 -0.000 0.000 0.322 257 A C -0.987 176.821 177.584 0.372 0.000 1.397 257 A CA -0.584 51.690 52.037 0.395 0.000 0.984 257 A CB 0.046 19.266 19.000 0.366 0.000 1.149 257 A HN 0.649 nan 8.150 nan 0.000 0.540 258 W N 5.511 126.931 121.300 0.198 0.000 2.391 258 W HA 0.411 5.071 4.660 -0.000 0.000 0.312 258 W C -1.550 174.850 176.519 -0.198 0.000 1.003 258 W CA -2.159 55.193 57.345 0.012 0.000 1.375 258 W CB 0.729 30.170 29.460 -0.032 0.000 1.253 258 W HN 0.565 nan 8.180 nan 0.000 0.416 259 F N 6.086 125.857 119.950 -0.299 0.000 2.563 259 F HA 0.315 4.842 4.527 -0.000 0.000 0.363 259 F C -0.625 174.998 175.800 -0.295 0.000 1.123 259 F CA 0.695 58.170 58.000 -0.876 0.000 1.307 259 F CB 0.633 39.288 39.000 -0.575 0.000 1.115 259 F HN 0.180 nan 8.300 nan 0.000 0.592 260 L N 5.865 126.359 121.223 -1.215 0.000 2.410 260 L HA 0.514 4.854 4.340 -0.000 0.000 0.270 260 L C 0.435 176.777 176.870 -0.880 0.000 0.983 260 L CA -0.885 53.638 54.840 -0.529 0.000 0.822 260 L CB 1.696 43.703 42.059 -0.087 0.000 1.285 260 L HN 0.801 nan 8.230 nan 0.000 0.409 261 G N 1.482 110.125 108.800 -0.262 0.000 2.563 261 G HA2 0.444 4.404 3.960 -0.000 0.000 0.283 261 G HA3 0.444 4.404 3.960 -0.000 0.000 0.283 261 G C -0.188 174.717 174.900 0.009 0.000 1.309 261 G CA -0.552 44.549 45.100 0.002 0.000 1.022 261 G HN 0.280 nan 8.290 nan 0.000 0.501 262 V N 1.864 121.820 119.914 0.071 0.000 2.599 262 V HA 0.013 4.133 4.120 -0.000 0.000 0.300 262 V C 0.847 176.966 176.094 0.043 0.000 1.034 262 V CA 0.435 62.766 62.300 0.052 0.000 1.115 262 V CB 0.632 32.489 31.823 0.056 0.000 0.934 262 V HN 0.934 nan 8.190 nan 0.000 0.485 263 N N 1.429 120.149 118.700 0.034 0.000 2.863 263 N HA -0.200 4.540 4.740 -0.000 0.000 0.245 263 N C 0.451 175.984 175.510 0.039 0.000 1.001 263 N CA 1.483 54.553 53.050 0.033 0.000 0.901 263 N CB -0.602 37.902 38.487 0.029 0.000 1.124 263 N HN 0.981 nan 8.380 nan 0.000 0.582 264 E N 1.240 121.464 120.200 0.040 0.000 2.194 264 E HA 0.367 4.717 4.350 -0.000 0.000 0.284 264 E C -0.816 175.808 176.600 0.040 0.000 1.035 264 E CA -0.328 56.097 56.400 0.042 0.000 0.836 264 E CB 0.867 30.595 29.700 0.048 0.000 1.070 264 E HN 0.015 nan 8.360 nan 0.000 0.401 265 V N 4.300 124.230 119.914 0.026 0.000 2.409 265 V HA 0.222 4.342 4.120 -0.000 0.000 0.290 265 V C -0.343 175.691 176.094 -0.100 0.000 1.017 265 V CA -0.727 61.576 62.300 0.004 0.000 0.841 265 V CB 1.452 33.309 31.823 0.057 0.000 1.003 265 V HN 0.637 nan 8.190 nan 0.000 0.426 266 S N 6.416 121.956 115.700 -0.267 0.000 2.474 266 S HA 0.517 4.987 4.470 -0.000 0.000 0.321 266 S C -1.726 172.468 174.600 -0.678 0.000 1.080 266 S CA -1.527 56.487 58.200 -0.308 0.000 1.106 266 S CB 1.928 65.049 63.200 -0.132 0.000 0.984 266 S HN 0.474 nan 8.310 nan 0.000 0.464 267 P HA -0.058 nan 4.420 nan 0.000 0.217 267 P C 1.221 178.403 177.300 -0.197 0.000 1.150 267 P CA 0.884 63.817 63.100 -0.278 0.000 0.832 267 P CB 0.198 31.870 31.700 -0.046 0.000 0.787 268 E N -0.632 119.512 120.200 -0.093 0.000 2.085 268 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 268 E C 2.043 178.477 176.600 -0.277 0.000 0.994 268 E CA 0.854 57.278 56.400 0.038 0.000 0.801 268 E CB -0.512 29.382 29.700 0.324 0.000 0.743 268 E HN 0.196 nan 8.360 nan 0.000 0.453 269 N N 0.642 118.926 118.700 -0.693 0.000 2.069 269 N HA -0.212 4.528 4.740 -0.000 0.000 0.191 269 N C 1.588 176.823 175.510 -0.458 0.000 1.031 269 N CA 1.639 53.943 53.050 -1.243 0.000 0.852 269 N CB -0.244 37.561 38.487 -1.135 0.000 1.018 269 N HN 0.405 nan 8.380 nan 0.000 0.423 270 H N 0.151 119.033 119.070 -0.314 0.000 2.319 270 H HA -0.084 4.471 4.556 -0.000 0.000 0.299 270 H C 2.259 177.523 175.328 -0.107 0.000 1.092 270 H CA 1.475 57.358 56.048 -0.275 0.000 1.302 270 H CB 0.031 29.572 29.762 -0.368 0.000 1.373 270 H HN 0.252 nan 8.280 nan 0.000 0.497 271 K N 0.645 121.070 120.400 0.042 0.000 2.063 271 K HA -0.196 4.124 4.320 -0.000 0.000 0.208 271 K C 2.004 178.637 176.600 0.055 0.000 1.048 271 K CA 1.395 57.718 56.287 0.060 0.000 0.928 271 K CB -0.186 32.370 32.500 0.094 0.000 0.713 271 K HN 0.160 nan 8.250 nan 0.000 0.442 272 F N 0.975 120.841 119.950 -0.140 0.000 2.075 272 F HA -0.193 4.334 4.527 -0.000 0.000 0.297 272 F C 2.059 177.826 175.800 -0.055 0.000 1.113 272 F CA 1.768 59.670 58.000 -0.163 0.000 1.218 272 F CB -0.408 38.398 39.000 -0.324 0.000 0.984 272 F HN 0.101 nan 8.300 nan 0.000 0.472 273 A N 0.013 122.925 122.820 0.152 0.000 2.019 273 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 273 A C 1.839 179.461 177.584 0.063 0.000 1.164 273 A CA 1.903 54.029 52.037 0.148 0.000 0.644 273 A CB -0.754 18.448 19.000 0.337 0.000 0.805 273 A HN 0.514 nan 8.150 nan 0.000 0.449 274 N N -0.416 118.315 118.700 0.052 0.000 2.416 274 N HA -0.004 4.736 4.740 -0.000 0.000 0.177 274 N C 0.955 176.447 175.510 -0.030 0.000 1.036 274 N CA 1.249 54.315 53.050 0.027 0.000 0.901 274 N CB 0.074 38.581 38.487 0.034 0.000 0.976 274 N HN 0.735 nan 8.380 nan 0.000 0.444 275 E N -1.326 118.824 120.200 -0.085 0.000 2.639 275 E HA 0.103 4.453 4.350 -0.000 0.000 0.225 275 E C 1.130 177.624 176.600 -0.177 0.000 0.921 275 E CA 0.041 56.383 56.400 -0.096 0.000 1.184 275 E CB 0.383 30.061 29.700 -0.036 0.000 1.160 275 E HN 0.173 nan 8.360 nan 0.000 0.547 276 S N 0.216 115.701 115.700 -0.357 0.000 2.414 276 S HA 0.090 4.560 4.470 -0.000 0.000 0.227 276 S C 1.800 176.228 174.600 -0.285 0.000 1.022 276 S CA 0.939 58.845 58.200 -0.490 0.000 0.958 276 S CB 0.140 62.573 63.200 -1.278 0.000 0.797 276 S HN 0.362 nan 8.310 nan 0.000 0.493 277 G N 1.084 109.752 108.800 -0.220 0.000 2.184 277 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.206 277 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.206 277 G C -0.135 174.701 174.900 -0.107 0.000 0.995 277 G CA 0.037 45.055 45.100 -0.138 0.000 0.651 277 G HN 0.977 nan 8.290 nan 0.000 0.511 278 M N -0.169 119.351 119.600 -0.134 0.000 2.593 278 M HA 0.834 5.314 4.480 -0.000 0.000 0.290 278 M C 0.262 176.543 176.300 -0.030 0.000 1.244 278 M CA -0.291 54.960 55.300 -0.081 0.000 0.857 278 M CB 1.934 34.513 32.600 -0.035 0.000 1.738 278 M HN 0.524 nan 8.290 nan 0.000 0.461 279 S N 1.630 117.321 115.700 -0.015 0.000 2.623 279 S HA 0.878 5.348 4.470 -0.000 0.000 0.278 279 S C -0.358 174.330 174.600 0.147 0.000 1.148 279 S CA -0.836 57.398 58.200 0.056 0.000 1.028 279 S CB 0.884 64.117 63.200 0.055 0.000 1.145 279 S HN 0.754 nan 8.310 nan 0.000 0.523 280 L N -0.386 120.916 121.223 0.131 0.000 2.359 280 L HA 0.492 4.832 4.340 -0.000 0.000 0.256 280 L C -1.002 175.989 176.870 0.202 0.000 1.026 280 L CA -1.025 53.953 54.840 0.231 0.000 0.828 280 L CB 1.664 43.869 42.059 0.244 0.000 1.406 280 L HN 0.552 nan 8.230 nan 0.000 0.413 281 L N 1.484 122.919 121.223 0.353 0.000 2.410 281 L HA 0.063 4.403 4.340 -0.000 0.000 0.273 281 L C 0.184 177.281 176.870 0.379 0.000 1.144 281 L CA 0.056 55.105 54.840 0.349 0.000 0.863 281 L CB 0.191 42.483 42.059 0.387 0.000 1.140 281 L HN 0.484 nan 8.230 nan 0.000 0.463 282 D N 3.316 123.847 120.400 0.217 0.000 2.545 282 D HA -0.005 4.635 4.640 -0.000 0.000 0.227 282 D C 0.924 177.243 176.300 0.032 0.000 1.150 282 D CA 0.239 54.285 54.000 0.077 0.000 1.046 282 D CB 0.160 40.892 40.800 -0.114 0.000 1.098 282 D HN 0.300 nan 8.370 nan 0.000 0.502 283 F N 1.013 121.072 119.950 0.181 0.000 2.234 283 F HA -0.063 4.464 4.527 -0.000 0.000 0.299 283 F C 2.534 178.334 175.800 0.000 0.000 1.087 283 F CA 0.662 58.708 58.000 0.077 0.000 1.340 283 F CB 0.002 39.038 39.000 0.060 0.000 1.031 283 F HN 0.246 nan 8.300 nan 0.000 0.500 284 R N -0.272 120.378 120.500 0.251 0.000 2.083 284 R HA -0.242 4.098 4.340 -0.000 0.000 0.237 284 R C 2.295 178.688 176.300 0.156 0.000 1.137 284 R CA 1.951 58.169 56.100 0.198 0.000 0.951 284 R CB -0.705 29.762 30.300 0.277 0.000 0.851 284 R HN 0.299 nan 8.270 nan 0.000 0.434 285 F N 0.776 120.721 119.950 -0.009 0.000 2.075 285 F HA -0.104 4.423 4.527 -0.000 0.000 0.297 285 F C 2.131 177.866 175.800 -0.109 0.000 1.113 285 F CA 1.632 59.609 58.000 -0.038 0.000 1.218 285 F CB -0.600 38.351 39.000 -0.081 0.000 0.984 285 F HN 0.123 nan 8.300 nan 0.000 0.472 286 A N 0.219 123.020 122.820 -0.032 0.000 1.883 286 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 286 A C 2.156 179.688 177.584 -0.087 0.000 1.186 286 A CA 1.770 53.655 52.037 -0.254 0.000 0.624 286 A CB -0.884 17.501 19.000 -1.024 0.000 0.822 286 A HN 0.541 nan 8.150 nan 0.000 0.444 287 Q N -0.512 119.266 119.800 -0.036 0.000 2.084 287 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 287 Q C 2.094 178.097 176.000 0.004 0.000 0.978 287 Q CA 1.904 57.722 55.803 0.025 0.000 0.844 287 Q CB -0.392 28.373 28.738 0.044 0.000 0.898 287 Q HN 0.618 nan 8.270 nan 0.000 0.426 288 K N 0.769 121.148 120.400 -0.034 0.000 2.097 288 K HA -0.067 4.253 4.320 -0.000 0.000 0.205 288 K C 1.981 178.533 176.600 -0.081 0.000 1.050 288 K CA 0.788 57.035 56.287 -0.066 0.000 0.938 288 K CB -0.426 32.018 32.500 -0.093 0.000 0.718 288 K HN -0.009 nan 8.250 nan 0.000 0.442 289 V N 0.934 120.789 119.914 -0.098 0.000 2.343 289 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 289 V C 2.348 178.595 176.094 0.255 0.000 1.051 289 V CA 2.048 64.377 62.300 0.048 0.000 1.036 289 V CB -0.400 31.416 31.823 -0.011 0.000 0.654 289 V HN 0.321 nan 8.190 nan 0.000 0.451 290 R N -0.695 119.916 120.500 0.184 0.000 2.092 290 R HA -0.147 4.192 4.340 -0.000 0.000 0.231 290 R C 2.429 178.754 176.300 0.041 0.000 1.119 290 R CA 1.389 57.579 56.100 0.149 0.000 0.970 290 R CB -0.283 30.065 30.300 0.080 0.000 0.864 290 R HN 0.590 nan 8.270 nan 0.000 0.440 291 Q N -0.094 119.714 119.800 0.013 0.000 2.050 291 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 291 Q C 2.133 178.094 176.000 -0.065 0.000 0.980 291 Q CA 1.599 57.386 55.803 -0.028 0.000 0.840 291 Q CB 0.087 28.806 28.738 -0.032 0.000 0.898 291 Q HN 0.187 nan 8.270 nan 0.000 0.424 292 V N -0.633 119.216 119.914 -0.109 0.000 2.407 292 V HA -0.146 3.974 4.120 -0.000 0.000 0.245 292 V C 1.457 177.339 176.094 -0.353 0.000 1.041 292 V CA 1.506 63.631 62.300 -0.291 0.000 1.040 292 V CB -0.258 31.263 31.823 -0.504 0.000 0.671 292 V HN 0.246 nan 8.190 nan 0.000 0.455 293 F N -0.762 119.191 119.950 0.005 0.000 2.622 293 F HA 0.247 4.774 4.527 -0.000 0.000 0.288 293 F C 2.353 178.232 175.800 0.131 0.000 1.120 293 F CA 0.686 58.751 58.000 0.107 0.000 1.423 293 F CB 0.034 39.161 39.000 0.213 0.000 1.127 293 F HN -0.104 nan 8.300 nan 0.000 0.588 294 R N 0.159 120.742 120.500 0.139 0.000 2.098 294 R HA 0.031 4.371 4.340 -0.000 0.000 0.203 294 R C 0.915 177.140 176.300 -0.125 0.000 1.166 294 R CA 1.053 57.043 56.100 -0.184 0.000 1.090 294 R CB 0.041 29.892 30.300 -0.749 0.000 0.992 294 R HN 0.041 nan 8.270 nan 0.000 0.477 295 D N 0.200 120.542 120.400 -0.098 0.000 2.360 295 D HA -0.024 4.616 4.640 -0.000 0.000 0.210 295 D C -0.218 176.053 176.300 -0.048 0.000 1.047 295 D CA 0.148 54.105 54.000 -0.072 0.000 0.854 295 D CB -0.036 40.726 40.800 -0.063 0.000 0.936 295 D HN 0.192 nan 8.370 nan 0.000 0.514 296 N N 0.894 119.564 118.700 -0.049 0.000 2.738 296 N HA -0.174 4.566 4.740 -0.000 0.000 0.249 296 N C 0.306 175.790 175.510 -0.044 0.000 1.047 296 N CA 1.106 54.125 53.050 -0.051 0.000 0.707 296 N CB -1.414 37.051 38.487 -0.036 0.000 0.937 296 N HN 0.238 nan 8.380 nan 0.000 0.545 297 T N -4.331 110.196 114.554 -0.045 0.000 3.054 297 T HA 0.287 4.637 4.350 -0.000 0.000 0.255 297 T C 0.146 174.827 174.700 -0.033 0.000 1.035 297 T CA 0.012 62.093 62.100 -0.031 0.000 0.941 297 T CB 0.698 69.553 68.868 -0.022 0.000 1.026 297 T HN 0.285 nan 8.240 nan 0.000 0.533 298 D N 0.962 121.331 120.400 -0.052 0.000 2.622 298 D HA 0.372 5.012 4.640 -0.000 0.000 0.255 298 D C -1.398 174.851 176.300 -0.084 0.000 1.246 298 D CA -0.519 53.451 54.000 -0.050 0.000 0.795 298 D CB 1.960 42.732 40.800 -0.047 0.000 1.369 298 D HN 0.232 nan 8.370 nan 0.000 0.425 299 N N 0.130 118.796 118.700 -0.056 0.000 2.879 299 N HA 0.256 4.996 4.740 -0.000 0.000 0.329 299 N C 1.002 176.424 175.510 -0.147 0.000 1.337 299 N CA -0.474 52.522 53.050 -0.090 0.000 0.844 299 N CB 0.132 38.626 38.487 0.012 0.000 1.236 299 N HN 0.187 nan 8.380 nan 0.000 0.601 300 M N -0.849 118.620 119.600 -0.219 0.000 2.267 300 M HA -0.050 4.430 4.480 -0.000 0.000 0.263 300 M C 1.197 177.326 176.300 -0.285 0.000 1.063 300 M CA 1.425 56.544 55.300 -0.301 0.000 1.090 300 M CB -1.400 31.001 32.600 -0.332 0.000 1.392 300 M HN 0.511 nan 8.290 nan 0.000 0.422 301 Y N -0.166 120.099 120.300 -0.059 0.000 2.242 301 Y HA -0.062 4.488 4.550 -0.000 0.000 0.291 301 Y C 2.591 178.466 175.900 -0.042 0.000 1.137 301 Y CA 1.442 59.519 58.100 -0.039 0.000 1.181 301 Y CB -1.264 37.175 38.460 -0.036 0.000 0.989 301 Y HN 0.303 nan 8.280 nan 0.000 0.527 302 G N -0.519 108.321 108.800 0.066 0.000 2.403 302 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 302 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 302 G C 1.625 176.504 174.900 -0.034 0.000 1.154 302 G CA 0.736 45.844 45.100 0.013 0.000 0.784 302 G HN 0.311 nan 8.290 nan 0.000 0.538 303 L N 0.924 122.087 121.223 -0.100 0.000 2.017 303 L HA 0.051 4.391 4.340 -0.000 0.000 0.208 303 L C 2.713 179.554 176.870 -0.049 0.000 1.073 303 L CA 2.429 57.187 54.840 -0.137 0.000 0.745 303 L CB -0.450 41.450 42.059 -0.265 0.000 0.894 303 L HN 0.275 nan 8.230 nan 0.000 0.432 304 K N -0.702 119.680 120.400 -0.031 0.000 2.057 304 K HA -0.173 4.147 4.320 -0.000 0.000 0.207 304 K C 1.949 178.576 176.600 0.044 0.000 1.049 304 K CA 1.364 57.663 56.287 0.020 0.000 0.931 304 K CB -0.241 32.271 32.500 0.021 0.000 0.714 304 K HN 0.394 nan 8.250 nan 0.000 0.440 305 A N 1.942 124.790 122.820 0.045 0.000 1.902 305 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 305 A C 2.186 179.798 177.584 0.048 0.000 1.181 305 A CA 1.655 53.722 52.037 0.050 0.000 0.623 305 A CB -0.615 18.415 19.000 0.049 0.000 0.818 305 A HN 0.505 nan 8.150 nan 0.000 0.443 306 M N -0.233 119.392 119.600 0.041 0.000 2.117 306 M HA -0.099 4.381 4.480 -0.000 0.000 0.262 306 M C 1.981 178.338 176.300 0.094 0.000 1.065 306 M CA 1.743 57.080 55.300 0.061 0.000 1.114 306 M CB -0.831 31.787 32.600 0.030 0.000 1.361 306 M HN 0.427 nan 8.290 nan 0.000 0.408 307 L N -0.015 121.261 121.223 0.088 0.000 2.017 307 L HA -0.219 4.120 4.340 -0.000 0.000 0.208 307 L C 2.314 179.237 176.870 0.089 0.000 1.073 307 L CA 1.514 56.419 54.840 0.109 0.000 0.745 307 L CB -0.566 41.546 42.059 0.089 0.000 0.894 307 L HN 0.337 nan 8.230 nan 0.000 0.432 308 E N -0.338 119.903 120.200 0.069 0.000 2.072 308 E HA -0.132 4.218 4.350 -0.000 0.000 0.190 308 E C 2.198 178.822 176.600 0.040 0.000 0.982 308 E CA 0.940 57.373 56.400 0.055 0.000 0.803 308 E CB -0.280 29.451 29.700 0.051 0.000 0.755 308 E HN 0.514 nan 8.360 nan 0.000 0.453 309 G N 1.103 109.925 108.800 0.037 0.000 2.433 309 G HA2 -0.331 3.628 3.960 -0.000 0.000 0.216 309 G HA3 -0.331 3.628 3.960 -0.000 0.000 0.216 309 G C 1.750 176.637 174.900 -0.022 0.000 1.186 309 G CA 1.315 46.419 45.100 0.008 0.000 0.779 309 G HN 0.397 nan 8.290 nan 0.000 0.543 310 S N 1.380 117.109 115.700 0.048 0.000 2.383 310 S HA 0.070 4.540 4.470 -0.000 0.000 0.229 310 S C 2.582 177.255 174.600 0.122 0.000 1.030 310 S CA 1.594 59.864 58.200 0.117 0.000 1.002 310 S CB -0.563 62.806 63.200 0.282 0.000 0.829 310 S HN 0.655 nan 8.310 nan 0.000 0.467 311 A N 1.472 124.346 122.820 0.090 0.000 2.019 311 A HA 0.379 4.699 4.320 -0.000 0.000 0.219 311 A C 2.350 179.948 177.584 0.023 0.000 1.164 311 A CA 1.565 53.646 52.037 0.073 0.000 0.644 311 A CB -1.041 17.998 19.000 0.065 0.000 0.805 311 A HN 0.895 nan 8.150 nan 0.000 0.449 312 A N -0.932 121.874 122.820 -0.022 0.000 2.044 312 A HA 0.098 4.418 4.320 -0.000 0.000 0.213 312 A C 1.577 179.078 177.584 -0.139 0.000 1.169 312 A CA 1.118 53.120 52.037 -0.058 0.000 0.724 312 A CB -0.044 18.929 19.000 -0.045 0.000 0.840 312 A HN 0.356 nan 8.150 nan 0.000 0.463 313 D N -1.312 118.923 120.400 -0.273 0.000 2.213 313 D HA 0.054 4.694 4.640 -0.000 0.000 0.205 313 D C -0.470 175.466 176.300 -0.607 0.000 0.961 313 D CA 0.829 54.473 54.000 -0.593 0.000 0.853 313 D CB -0.068 40.011 40.800 -1.202 0.000 0.967 313 D HN 0.449 nan 8.370 nan 0.000 0.496 314 Y N 0.324 120.499 120.300 -0.208 0.000 2.341 314 Y HA 0.435 4.985 4.550 -0.000 0.000 0.340 314 Y C 1.258 177.116 175.900 -0.070 0.000 0.997 314 Y CA -0.841 57.194 58.100 -0.108 0.000 1.149 314 Y CB 1.565 39.990 38.460 -0.058 0.000 1.171 314 Y HN -0.175 nan 8.280 nan 0.000 0.494 315 A N 2.871 125.741 122.820 0.084 0.000 1.940 315 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 315 A C 0.783 178.365 177.584 -0.003 0.000 1.176 315 A CA 1.440 53.485 52.037 0.013 0.000 0.631 315 A CB -0.255 18.749 19.000 0.006 0.000 0.814 315 A HN 0.782 nan 8.150 nan 0.000 0.446 316 Q N -1.210 118.632 119.800 0.069 0.000 2.907 316 Q HA 0.415 4.755 4.340 -0.000 0.000 0.262 316 Q C 0.376 176.438 176.000 0.103 0.000 0.997 316 Q CA -0.123 55.725 55.803 0.075 0.000 0.797 316 Q CB 1.248 30.061 28.738 0.124 0.000 1.228 316 Q HN 0.137 nan 8.270 nan 0.000 0.466 317 V N 1.404 121.376 119.914 0.097 0.000 2.720 317 V HA -0.225 3.895 4.120 -0.000 0.000 0.256 317 V C 0.800 176.905 176.094 0.017 0.000 1.082 317 V CA 2.079 64.414 62.300 0.058 0.000 1.101 317 V CB 0.141 32.022 31.823 0.097 0.000 0.693 317 V HN 0.721 nan 8.190 nan 0.000 0.479 318 D N -0.544 119.913 120.400 0.095 0.000 2.363 318 D HA -0.074 4.566 4.640 -0.000 0.000 0.226 318 D C 0.875 177.257 176.300 0.136 0.000 1.020 318 D CA 0.613 54.680 54.000 0.113 0.000 0.892 318 D CB 0.111 41.042 40.800 0.220 0.000 0.900 318 D HN 0.489 nan 8.370 nan 0.000 0.531 319 D N 0.382 120.881 120.400 0.166 0.000 2.379 319 D HA -0.002 4.638 4.640 -0.000 0.000 0.208 319 D C 0.471 176.862 176.300 0.152 0.000 1.065 319 D CA 0.222 54.389 54.000 0.279 0.000 0.848 319 D CB 0.465 41.497 40.800 0.387 0.000 0.949 319 D HN 0.039 nan 8.370 nan 0.000 0.509 320 Q N 0.757 120.529 119.800 -0.048 0.000 2.304 320 Q HA 0.177 4.517 4.340 -0.000 0.000 0.260 320 Q C -0.060 175.834 176.000 -0.177 0.000 0.965 320 Q CA -0.178 55.526 55.803 -0.166 0.000 0.898 320 Q CB 1.608 30.126 28.738 -0.366 0.000 1.196 320 Q HN -0.099 nan 8.270 nan 0.000 0.402 321 V N 3.901 123.704 119.914 -0.186 0.000 2.372 321 V HA 0.147 4.267 4.120 -0.000 0.000 0.261 321 V C 0.758 176.812 176.094 -0.066 0.000 1.055 321 V CA -0.397 61.757 62.300 -0.245 0.000 0.930 321 V CB 0.158 31.616 31.823 -0.608 0.000 1.031 321 V HN 0.848 nan 8.190 nan 0.000 0.479 322 T N 2.875 117.312 114.554 -0.195 0.000 2.874 322 T HA 0.823 5.173 4.350 -0.000 0.000 0.281 322 T C -0.562 174.199 174.700 0.102 0.000 0.994 322 T CA -0.423 61.492 62.100 -0.309 0.000 1.015 322 T CB 1.492 69.764 68.868 -0.993 0.000 1.028 322 T HN 0.719 nan 8.240 nan 0.000 0.523 323 F N -1.235 118.694 119.950 -0.034 0.000 2.842 323 F HA 0.490 5.017 4.527 -0.000 0.000 0.319 323 F C -0.008 175.887 175.800 0.158 0.000 1.159 323 F CA -1.343 56.690 58.000 0.055 0.000 0.902 323 F CB 0.602 39.626 39.000 0.040 0.000 1.311 323 F HN 0.595 nan 8.300 nan 0.000 0.453 324 I N -1.456 119.273 120.570 0.264 0.000 4.181 324 I HA 0.447 4.616 4.170 -0.000 0.000 0.331 324 I C -0.752 175.600 176.117 0.392 0.000 1.312 324 I CA 0.224 61.657 61.300 0.223 0.000 1.146 324 I CB 0.540 38.557 38.000 0.028 0.000 1.074 324 I HN 0.690 nan 8.210 nan 0.000 0.402 325 D N 0.806 121.490 120.400 0.473 0.000 2.738 325 D HA 0.360 5.000 4.640 -0.000 0.000 0.308 325 D C -1.174 175.229 176.300 0.172 0.000 1.311 325 D CA -0.570 53.657 54.000 0.380 0.000 0.799 325 D CB 0.604 41.599 40.800 0.324 0.000 1.332 325 D HN 0.330 nan 8.370 nan 0.000 0.441 326 N N -2.983 115.633 118.700 -0.141 0.000 3.387 326 N HA 0.146 4.886 4.740 -0.000 0.000 0.294 326 N C 0.458 175.490 175.510 -0.797 0.000 1.519 326 N CA -0.458 52.203 53.050 -0.649 0.000 0.875 326 N CB -0.174 38.089 38.487 -0.374 0.000 1.657 326 N HN 0.562 nan 8.380 nan 0.000 0.527 327 H N -1.796 116.791 119.070 -0.806 0.000 2.567 327 H HA 0.166 4.722 4.556 -0.000 0.000 0.276 327 H C -0.711 174.578 175.328 -0.065 0.000 1.016 327 H CA 0.873 56.729 56.048 -0.320 0.000 1.186 327 H CB -0.256 29.570 29.762 0.108 0.000 1.351 327 H HN 0.534 nan 8.280 nan 0.000 0.605 328 D N 0.503 120.669 120.400 -0.390 0.000 2.433 328 D HA 0.143 4.783 4.640 -0.000 0.000 0.211 328 D C 0.976 177.261 176.300 -0.025 0.000 1.114 328 D CA 0.096 53.980 54.000 -0.193 0.000 0.837 328 D CB 0.803 41.482 40.800 -0.202 0.000 0.984 328 D HN 0.541 nan 8.370 nan 0.000 0.505 329 M N -1.123 118.483 119.600 0.009 0.000 2.631 329 M HA 0.492 4.972 4.480 -0.000 0.000 0.288 329 M C -0.680 175.662 176.300 0.069 0.000 1.260 329 M CA -0.916 54.438 55.300 0.090 0.000 0.842 329 M CB 2.277 35.002 32.600 0.208 0.000 1.743 329 M HN -0.368 nan 8.290 nan 0.000 0.461 330 E N 1.770 122.014 120.200 0.074 0.000 2.467 330 E HA 0.095 4.445 4.350 -0.000 0.000 0.264 330 E C -0.612 176.050 176.600 0.104 0.000 1.020 330 E CA 0.100 56.540 56.400 0.066 0.000 0.945 330 E CB 0.533 30.256 29.700 0.038 0.000 0.942 330 E HN 0.438 nan 8.360 nan 0.000 0.449 331 R N 1.586 122.160 120.500 0.123 0.000 2.537 331 R HA -0.032 4.308 4.340 -0.000 0.000 0.280 331 R C 1.002 177.431 176.300 0.216 0.000 1.058 331 R CA -0.125 56.093 56.100 0.196 0.000 1.057 331 R CB 0.223 30.634 30.300 0.186 0.000 0.973 331 R HN 0.584 nan 8.270 nan 0.000 0.438 332 F N 2.229 122.269 119.950 0.151 0.000 2.087 332 F HA -0.241 4.286 4.527 -0.000 0.000 0.299 332 F C 1.283 177.184 175.800 0.170 0.000 1.100 332 F CA 1.704 59.795 58.000 0.151 0.000 1.226 332 F CB -0.351 38.743 39.000 0.156 0.000 0.983 332 F HN 0.544 nan 8.300 nan 0.000 0.479 333 H N 0.817 120.129 119.070 0.404 0.000 2.944 333 H HA 0.460 5.016 4.556 -0.000 0.000 0.278 333 H C -0.316 175.095 175.328 0.138 0.000 1.083 333 H CA -0.513 55.717 56.048 0.302 0.000 1.479 333 H CB 0.119 30.076 29.762 0.325 0.000 1.486 333 H HN 0.275 nan 8.280 nan 0.000 0.493 334 A N 3.861 126.481 122.820 -0.333 0.000 2.366 334 A HA 0.234 4.554 4.320 -0.000 0.000 0.272 334 A C 1.602 178.862 177.584 -0.541 0.000 1.135 334 A CA 0.079 51.927 52.037 -0.315 0.000 0.804 334 A CB -0.060 18.821 19.000 -0.199 0.000 1.064 334 A HN 1.004 nan 8.150 nan 0.000 0.499 335 S N 2.308 117.834 115.700 -0.289 0.000 2.407 335 S HA -0.267 4.203 4.470 -0.000 0.000 0.235 335 S C 1.179 175.695 174.600 -0.140 0.000 1.036 335 S CA 1.778 59.872 58.200 -0.176 0.000 1.013 335 S CB -0.608 62.564 63.200 -0.048 0.000 0.820 335 S HN 0.895 nan 8.310 nan 0.000 0.476 336 N N 1.915 120.532 118.700 -0.139 0.000 2.299 336 N HA 0.267 5.007 4.740 -0.000 0.000 0.187 336 N C 0.604 176.079 175.510 -0.059 0.000 1.099 336 N CA 0.471 53.480 53.050 -0.070 0.000 0.867 336 N CB -0.099 38.358 38.487 -0.050 0.000 0.974 336 N HN 0.561 nan 8.380 nan 0.000 0.477 337 A N 1.419 124.166 122.820 -0.121 0.000 2.313 337 A HA 0.142 4.462 4.320 -0.000 0.000 0.261 337 A C 0.340 177.990 177.584 0.111 0.000 1.090 337 A CA -0.461 51.562 52.037 -0.024 0.000 0.807 337 A CB 0.201 19.173 19.000 -0.046 0.000 1.055 337 A HN 0.282 nan 8.150 nan 0.000 0.492 338 N N 0.062 118.837 118.700 0.125 0.000 2.497 338 N HA 0.043 4.783 4.740 -0.000 0.000 0.268 338 N C 0.978 176.616 175.510 0.213 0.000 1.171 338 N CA 0.030 53.162 53.050 0.136 0.000 0.948 338 N CB 0.586 39.133 38.487 0.100 0.000 1.069 338 N HN 0.606 nan 8.380 nan 0.000 0.460 339 R N 2.056 122.639 120.500 0.139 0.000 2.152 339 R HA -0.126 4.214 4.340 -0.000 0.000 0.232 339 R C 1.494 177.890 176.300 0.159 0.000 1.117 339 R CA 0.892 57.038 56.100 0.077 0.000 0.981 339 R CB 0.009 30.139 30.300 -0.284 0.000 0.870 339 R HN 0.459 nan 8.270 nan 0.000 0.451 340 R N 1.731 122.309 120.500 0.130 0.000 2.152 340 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 340 R C 1.415 177.816 176.300 0.169 0.000 1.117 340 R CA 1.557 57.734 56.100 0.128 0.000 0.981 340 R CB -0.097 30.266 30.300 0.104 0.000 0.870 340 R HN 0.133 nan 8.270 nan 0.000 0.451 341 K N -0.144 120.404 120.400 0.246 0.000 2.026 341 K HA -0.146 4.174 4.320 -0.000 0.000 0.208 341 K C 2.050 178.836 176.600 0.310 0.000 1.048 341 K CA 1.686 58.185 56.287 0.354 0.000 0.929 341 K CB -0.360 32.399 32.500 0.432 0.000 0.713 341 K HN 0.239 nan 8.250 nan 0.000 0.439 342 L N 1.479 122.887 121.223 0.308 0.000 2.093 342 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 342 L C 1.919 178.698 176.870 -0.152 0.000 1.085 342 L CA 1.525 56.341 54.840 -0.040 0.000 0.755 342 L CB -0.058 42.112 42.059 0.185 0.000 0.904 342 L HN 0.153 nan 8.230 nan 0.000 0.435 343 E N -0.513 119.691 120.200 0.007 0.000 2.077 343 E HA -0.256 4.094 4.350 -0.000 0.000 0.193 343 E C 2.221 178.770 176.600 -0.086 0.000 0.989 343 E CA 1.460 57.849 56.400 -0.018 0.000 0.800 343 E CB -0.068 29.669 29.700 0.062 0.000 0.746 343 E HN 0.624 nan 8.360 nan 0.000 0.452 344 Q N 0.145 119.890 119.800 -0.091 0.000 2.046 344 Q HA -0.104 4.236 4.340 -0.000 0.000 0.200 344 Q C 2.365 178.096 176.000 -0.448 0.000 0.975 344 Q CA 1.155 56.857 55.803 -0.168 0.000 0.836 344 Q CB -0.181 28.535 28.738 -0.036 0.000 0.896 344 Q HN 0.252 nan 8.270 nan 0.000 0.428 345 A N 1.117 123.547 122.820 -0.649 0.000 1.917 345 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 345 A C 2.080 179.454 177.584 -0.351 0.000 1.182 345 A CA 1.174 52.757 52.037 -0.756 0.000 0.633 345 A CB -0.746 17.753 19.000 -0.834 0.000 0.819 345 A HN 0.291 nan 8.150 nan 0.000 0.448 346 L N -1.042 120.003 121.223 -0.296 0.000 1.994 346 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 346 L C 3.177 179.990 176.870 -0.094 0.000 1.071 346 L CA 1.213 55.953 54.840 -0.168 0.000 0.745 346 L CB -0.593 41.372 42.059 -0.157 0.000 0.892 346 L HN 0.460 nan 8.230 nan 0.000 0.431 347 A N -0.270 122.498 122.820 -0.086 0.000 1.892 347 A HA -0.313 4.007 4.320 -0.000 0.000 0.218 347 A C 2.149 179.753 177.584 0.033 0.000 1.188 347 A CA 1.927 53.940 52.037 -0.040 0.000 0.631 347 A CB -0.981 17.996 19.000 -0.039 0.000 0.822 347 A HN 0.441 nan 8.150 nan 0.000 0.447 348 F N 1.408 121.300 119.950 -0.097 0.000 2.069 348 F HA -0.186 4.341 4.527 -0.000 0.000 0.298 348 F C 2.506 178.358 175.800 0.088 0.000 1.113 348 F CA 2.454 60.467 58.000 0.022 0.000 1.214 348 F CB -0.870 38.043 39.000 -0.145 0.000 0.978 348 F HN 0.217 nan 8.300 nan 0.000 0.474 349 T N 1.603 116.179 114.554 0.038 0.000 2.684 349 T HA -0.194 4.156 4.350 -0.000 0.000 0.267 349 T C 2.145 176.766 174.700 -0.132 0.000 1.036 349 T CA 1.848 63.947 62.100 -0.001 0.000 1.148 349 T CB -0.644 68.282 68.868 0.096 0.000 0.863 349 T HN 0.260 nan 8.240 nan 0.000 0.436 350 L N 1.265 122.431 121.223 -0.095 0.000 2.191 350 L HA -0.070 4.270 4.340 -0.000 0.000 0.212 350 L C 2.566 179.365 176.870 -0.119 0.000 1.103 350 L CA 1.366 56.142 54.840 -0.107 0.000 0.769 350 L CB -0.727 41.278 42.059 -0.091 0.000 0.908 350 L HN 0.453 nan 8.230 nan 0.000 0.438 351 T N -5.965 108.528 114.554 -0.102 0.000 3.054 351 T HA 0.200 4.550 4.350 -0.000 0.000 0.255 351 T C 0.737 175.409 174.700 -0.047 0.000 1.035 351 T CA -0.303 61.764 62.100 -0.057 0.000 0.941 351 T CB 0.324 69.195 68.868 0.003 0.000 1.026 351 T HN -0.011 nan 8.240 nan 0.000 0.533 352 S N 2.343 117.920 115.700 -0.205 0.000 2.713 352 S HA 0.596 5.066 4.470 -0.000 0.000 0.283 352 S C 0.381 174.851 174.600 -0.217 0.000 1.161 352 S CA -1.061 56.971 58.200 -0.280 0.000 0.999 352 S CB 0.961 63.843 63.200 -0.531 0.000 1.039 352 S HN 0.602 nan 8.310 nan 0.000 0.548 353 R N 0.764 121.167 120.500 -0.162 0.000 2.784 353 R HA 0.518 4.858 4.340 -0.000 0.000 0.266 353 R C 0.606 176.780 176.300 -0.209 0.000 1.044 353 R CA 0.684 56.709 56.100 -0.126 0.000 1.151 353 R CB -1.314 28.961 30.300 -0.041 0.000 1.037 353 R HN 0.954 nan 8.270 nan 0.000 0.478 354 G N -0.030 108.675 108.800 -0.159 0.000 2.416 354 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.203 354 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.203 354 G C -1.474 173.308 174.900 -0.197 0.000 1.227 354 G CA -0.317 44.673 45.100 -0.184 0.000 1.041 354 G HN 0.745 nan 8.290 nan 0.000 0.546 355 V N 2.417 122.200 119.914 -0.217 0.000 2.340 355 V HA 0.505 4.625 4.120 -0.000 0.000 0.277 355 V C -2.204 173.778 176.094 -0.186 0.000 1.017 355 V CA -0.990 61.189 62.300 -0.201 0.000 0.820 355 V CB 1.690 33.385 31.823 -0.215 0.000 1.028 355 V HN 0.637 nan 8.190 nan 0.000 0.436 356 P HA 0.373 nan 4.420 nan 0.000 0.271 356 P C -0.573 176.725 177.300 -0.003 0.000 1.220 356 P CA 0.194 63.230 63.100 -0.108 0.000 0.768 356 P CB 0.972 32.605 31.700 -0.112 0.000 0.848 357 A N 4.311 127.179 122.820 0.079 0.000 2.356 357 A HA 0.692 5.012 4.320 -0.000 0.000 0.310 357 A C -0.584 177.099 177.584 0.164 0.000 1.075 357 A CA -0.789 51.353 52.037 0.174 0.000 0.746 357 A CB 0.656 19.836 19.000 0.300 0.000 1.221 357 A HN 0.457 nan 8.150 nan 0.000 0.443 358 I N 2.595 123.228 120.570 0.104 0.000 2.362 358 I HA 0.185 4.355 4.170 -0.000 0.000 0.289 358 I C -0.740 175.333 176.117 -0.073 0.000 0.994 358 I CA -0.730 60.594 61.300 0.039 0.000 1.158 358 I CB 1.257 39.274 38.000 0.028 0.000 1.315 358 I HN 0.717 nan 8.210 nan 0.000 0.451 359 Y N 8.611 128.818 120.300 -0.156 0.000 2.544 359 Y HA 0.015 4.565 4.550 -0.000 0.000 0.330 359 Y C 0.122 175.799 175.900 -0.371 0.000 1.136 359 Y CA -0.942 57.024 58.100 -0.223 0.000 1.417 359 Y CB 0.010 38.404 38.460 -0.110 0.000 1.229 359 Y HN 0.447 nan 8.280 nan 0.000 0.532 360 Y N 4.229 124.066 120.300 -0.771 0.000 2.895 360 Y HA 0.304 4.854 4.550 -0.000 0.000 0.334 360 Y C 1.083 176.775 175.900 -0.348 0.000 1.261 360 Y CA -0.203 57.489 58.100 -0.680 0.000 1.560 360 Y CB -0.035 38.200 38.460 -0.375 0.000 1.253 360 Y HN 0.913 nan 8.280 nan 0.000 0.582 361 G N 2.138 110.866 108.800 -0.119 0.000 2.234 361 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.235 361 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.235 361 G C 0.912 175.722 174.900 -0.151 0.000 0.997 361 G CA 0.353 45.356 45.100 -0.161 0.000 0.623 361 G HN 0.835 nan 8.290 nan 0.000 0.514 362 T N 1.822 116.272 114.554 -0.174 0.000 2.699 362 T HA -0.137 4.213 4.350 -0.000 0.000 0.268 362 T C 2.131 176.710 174.700 -0.201 0.000 1.036 362 T CA 2.003 64.032 62.100 -0.119 0.000 1.147 362 T CB -0.273 68.553 68.868 -0.069 0.000 0.862 362 T HN 0.808 nan 8.240 nan 0.000 0.446 363 E N 0.967 121.101 120.200 -0.111 0.000 2.418 363 E HA -0.129 4.221 4.350 -0.000 0.000 0.197 363 E C 1.245 177.702 176.600 -0.238 0.000 1.026 363 E CA 0.790 57.096 56.400 -0.158 0.000 0.862 363 E CB -0.105 29.639 29.700 0.074 0.000 0.799 363 E HN 0.413 nan 8.360 nan 0.000 0.518 364 Q N -0.116 119.596 119.800 -0.147 0.000 2.198 364 Q HA 0.069 4.409 4.340 -0.000 0.000 0.209 364 Q C -0.558 175.440 176.000 -0.004 0.000 0.848 364 Q CA -0.437 55.337 55.803 -0.048 0.000 0.974 364 Q CB -0.203 28.558 28.738 0.038 0.000 1.115 364 Q HN 0.315 nan 8.270 nan 0.000 0.494 365 Y N -1.206 119.078 120.300 -0.026 0.000 3.589 365 Y HA -0.273 4.277 4.550 -0.000 0.000 0.218 365 Y C 0.343 176.272 175.900 0.049 0.000 1.234 365 Y CA 0.219 58.259 58.100 -0.100 0.000 1.576 365 Y CB -2.575 35.737 38.460 -0.246 0.000 1.487 365 Y HN 0.219 nan 8.280 nan 0.000 0.616 366 M N 0.243 119.908 119.600 0.108 0.000 2.239 366 M HA 0.201 4.681 4.480 -0.000 0.000 0.348 366 M C 0.613 177.017 176.300 0.172 0.000 1.239 366 M CA 0.916 56.270 55.300 0.089 0.000 1.114 366 M CB 0.554 33.120 32.600 -0.057 0.000 1.641 366 M HN 0.264 nan 8.290 nan 0.000 0.453 367 S N 1.044 116.835 115.700 0.152 0.000 2.568 367 S HA 0.929 5.399 4.470 -0.000 0.000 0.302 367 S C -0.190 174.451 174.600 0.068 0.000 1.082 367 S CA -0.760 57.516 58.200 0.126 0.000 1.009 367 S CB 2.145 65.402 63.200 0.094 0.000 1.069 367 S HN 0.919 nan 8.310 nan 0.000 0.500 368 G N 0.144 108.978 108.800 0.057 0.000 2.473 368 G HA2 0.521 4.481 3.960 -0.000 0.000 0.298 368 G HA3 0.521 4.481 3.960 -0.000 0.000 0.298 368 G C -0.277 174.647 174.900 0.039 0.000 1.575 368 G CA -0.253 44.872 45.100 0.041 0.000 0.846 368 G HN 0.879 nan 8.290 nan 0.000 0.585 369 G N -0.421 108.393 108.800 0.024 0.000 2.485 369 G HA2 0.632 4.592 3.960 -0.000 0.000 0.260 369 G HA3 0.632 4.592 3.960 -0.000 0.000 0.260 369 G C 0.837 175.752 174.900 0.024 0.000 1.459 369 G CA 0.605 45.716 45.100 0.018 0.000 1.060 369 G HN 1.458 nan 8.290 nan 0.000 0.546 370 T N -1.503 113.059 114.554 0.013 0.000 2.828 370 T HA 0.241 4.591 4.350 -0.000 0.000 0.290 370 T C 0.200 174.905 174.700 0.009 0.000 1.019 370 T CA -0.235 61.870 62.100 0.008 0.000 1.031 370 T CB 0.930 69.793 68.868 -0.008 0.000 1.001 370 T HN 0.453 nan 8.240 nan 0.000 0.531 371 D N 2.481 122.885 120.400 0.007 0.000 3.264 371 D HA -0.057 4.583 4.640 -0.000 0.000 0.213 371 D C -1.198 175.120 176.300 0.029 0.000 1.112 371 D CA -0.895 53.120 54.000 0.026 0.000 0.777 371 D CB 0.538 41.342 40.800 0.006 0.000 1.156 371 D HN 0.440 nan 8.370 nan 0.000 0.556 372 P HA 0.166 nan 4.420 nan 0.000 0.282 372 P C 0.209 177.524 177.300 0.025 0.000 1.373 372 P CA -0.257 62.882 63.100 0.065 0.000 1.001 372 P CB 0.606 32.360 31.700 0.089 0.000 1.489 373 D N 1.519 121.930 120.400 0.018 0.000 2.354 373 D HA -0.120 4.520 4.640 -0.000 0.000 0.216 373 D C 1.087 177.401 176.300 0.024 0.000 0.970 373 D CA 0.995 55.002 54.000 0.012 0.000 0.905 373 D CB -0.329 40.477 40.800 0.011 0.000 0.903 373 D HN 0.386 nan 8.370 nan 0.000 0.508 374 N N -0.216 118.508 118.700 0.040 0.000 2.280 374 N HA -0.024 4.716 4.740 -0.000 0.000 0.192 374 N C 0.363 175.932 175.510 0.098 0.000 1.109 374 N CA -0.021 53.078 53.050 0.083 0.000 0.855 374 N CB 0.033 38.584 38.487 0.106 0.000 0.974 374 N HN 0.020 nan 8.380 nan 0.000 0.482 375 R N 0.198 120.713 120.500 0.025 0.000 2.865 375 R HA 0.474 4.814 4.340 -0.000 0.000 0.370 375 R C -0.388 175.933 176.300 0.035 0.000 1.168 375 R CA -0.355 55.732 56.100 -0.021 0.000 1.058 375 R CB 0.823 30.994 30.300 -0.216 0.000 1.419 375 R HN 0.132 nan 8.270 nan 0.000 0.580 376 A N 1.235 124.083 122.820 0.046 0.000 2.304 376 A HA 0.299 4.619 4.320 -0.000 0.000 0.271 376 A C 0.088 177.741 177.584 0.114 0.000 1.091 376 A CA -0.528 51.530 52.037 0.034 0.000 0.812 376 A CB 0.411 19.412 19.000 0.002 0.000 1.056 376 A HN 0.458 nan 8.150 nan 0.000 0.489 377 R N 1.199 121.735 120.500 0.060 0.000 2.522 377 R HA 0.131 4.471 4.340 -0.000 0.000 0.284 377 R C -0.054 176.283 176.300 0.062 0.000 1.032 377 R CA -0.121 56.023 56.100 0.073 0.000 1.049 377 R CB 0.040 30.338 30.300 -0.003 0.000 0.956 377 R HN 0.701 nan 8.270 nan 0.000 0.422 378 I N 7.828 128.472 120.570 0.123 0.000 2.742 378 I HA -0.009 4.161 4.170 -0.000 0.000 0.287 378 I C -1.381 174.593 176.117 -0.239 0.000 1.186 378 I CA -1.299 59.993 61.300 -0.012 0.000 1.417 378 I CB 1.085 39.097 38.000 0.020 0.000 1.377 378 I HN 0.711 nan 8.210 nan 0.000 0.556 379 P HA 0.045 nan 4.420 nan 0.000 0.245 379 P C -0.145 177.004 177.300 -0.253 0.000 1.206 379 P CA 0.329 63.320 63.100 -0.182 0.000 0.781 379 P CB 0.306 31.953 31.700 -0.088 0.000 0.994 380 S N -0.929 114.539 115.700 -0.387 0.000 2.552 380 S HA 0.521 4.990 4.470 -0.000 0.000 0.272 380 S C -1.580 172.698 174.600 -0.537 0.000 1.150 380 S CA -0.561 57.423 58.200 -0.360 0.000 0.849 380 S CB 0.163 63.287 63.200 -0.127 0.000 1.113 380 S HN -0.207 nan 8.310 nan 0.000 0.458 381 F N 2.346 122.171 119.950 -0.208 0.000 2.881 381 F HA 0.434 4.961 4.527 0.000 0.000 0.343 381 F C 0.973 176.726 175.800 -0.078 0.000 1.233 381 F CA -0.455 57.288 58.000 -0.428 0.000 1.262 381 F CB 0.810 39.443 39.000 -0.612 0.000 0.980 381 F HN 0.511 nan 8.300 nan 0.000 0.506 382 S N 0.223 115.997 115.700 0.123 0.000 2.548 382 S HA 0.199 4.669 4.470 -0.000 0.000 0.277 382 S C 1.336 175.853 174.600 -0.139 0.000 1.315 382 S CA 0.152 58.369 58.200 0.029 0.000 1.050 382 S CB 0.698 63.904 63.200 0.009 0.000 0.918 382 S HN 0.474 nan 8.310 nan 0.000 0.497 383 T N 1.499 115.817 114.554 -0.393 0.000 3.086 383 T HA 0.169 4.519 4.350 -0.000 0.000 0.250 383 T C 1.149 175.547 174.700 -0.504 0.000 1.074 383 T CA 0.170 61.605 62.100 -1.108 0.000 0.988 383 T CB -0.085 68.310 68.868 -0.789 0.000 0.988 383 T HN 0.416 nan 8.240 nan 0.000 0.530 384 S N 1.918 117.499 115.700 -0.199 0.000 2.548 384 S HA 0.118 4.587 4.470 -0.000 0.000 0.215 384 S C 1.205 175.828 174.600 0.037 0.000 0.976 384 S CA 0.230 58.400 58.200 -0.050 0.000 0.908 384 S CB -0.127 63.058 63.200 -0.024 0.000 0.781 384 S HN 0.896 nan 8.310 nan 0.000 0.519 385 T N 0.101 114.703 114.554 0.080 0.000 2.898 385 T HA 0.132 4.482 4.350 -0.000 0.000 0.301 385 T C 1.307 176.129 174.700 0.203 0.000 1.049 385 T CA -0.066 62.153 62.100 0.198 0.000 1.095 385 T CB 0.799 69.817 68.868 0.250 0.000 0.976 385 T HN -0.004 nan 8.240 nan 0.000 0.539 386 T N 2.236 116.935 114.554 0.241 0.000 2.746 386 T HA -0.037 4.313 4.350 -0.000 0.000 0.267 386 T C 2.388 177.177 174.700 0.149 0.000 1.039 386 T CA 1.428 63.638 62.100 0.182 0.000 1.142 386 T CB -0.800 68.174 68.868 0.177 0.000 0.866 386 T HN 0.834 nan 8.240 nan 0.000 0.444 387 A N 0.414 123.316 122.820 0.137 0.000 1.902 387 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 387 A C 2.070 179.649 177.584 -0.009 0.000 1.181 387 A CA 1.576 53.590 52.037 -0.038 0.000 0.623 387 A CB -1.050 17.736 19.000 -0.356 0.000 0.818 387 A HN 0.593 nan 8.150 nan 0.000 0.443 388 Y N 0.682 120.939 120.300 -0.072 0.000 2.165 388 Y HA -0.276 4.274 4.550 -0.000 0.000 0.286 388 Y C 2.514 178.383 175.900 -0.051 0.000 1.155 388 Y CA 2.442 60.508 58.100 -0.057 0.000 1.164 388 Y CB -0.350 38.097 38.460 -0.022 0.000 0.978 388 Y HN 0.461 nan 8.280 nan 0.000 0.513 389 Q N -1.107 118.815 119.800 0.204 0.000 2.224 389 Q HA -0.126 4.214 4.340 -0.000 0.000 0.203 389 Q C 2.287 178.289 176.000 0.004 0.000 0.970 389 Q CA 1.475 57.345 55.803 0.112 0.000 0.865 389 Q CB -0.160 28.644 28.738 0.110 0.000 0.922 389 Q HN 0.365 nan 8.270 nan 0.000 0.445 390 V N 1.028 120.934 119.914 -0.012 0.000 2.261 390 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 390 V C 2.085 178.126 176.094 -0.089 0.000 1.047 390 V CA 1.695 63.968 62.300 -0.046 0.000 1.015 390 V CB -0.420 31.377 31.823 -0.044 0.000 0.642 390 V HN 0.364 nan 8.190 nan 0.000 0.446 391 I N -0.138 120.356 120.570 -0.127 0.000 2.286 391 I HA -0.321 3.849 4.170 -0.000 0.000 0.248 391 I C 2.632 178.637 176.117 -0.188 0.000 1.115 391 I CA 1.908 63.108 61.300 -0.167 0.000 1.392 391 I CB -0.477 37.392 38.000 -0.219 0.000 1.065 391 I HN 0.407 nan 8.210 nan 0.000 0.418 392 Q N 1.565 121.238 119.800 -0.212 0.000 2.124 392 Q HA -0.224 4.116 4.340 -0.000 0.000 0.202 392 Q C 2.032 177.970 176.000 -0.103 0.000 0.977 392 Q CA 1.598 57.297 55.803 -0.174 0.000 0.850 392 Q CB 0.132 28.803 28.738 -0.111 0.000 0.901 392 Q HN 0.473 nan 8.270 nan 0.000 0.429 393 K N -0.461 119.890 120.400 -0.083 0.000 2.211 393 K HA 0.054 4.374 4.320 -0.000 0.000 0.201 393 K C 1.918 178.468 176.600 -0.082 0.000 1.052 393 K CA 0.566 56.812 56.287 -0.068 0.000 0.973 393 K CB 0.329 32.796 32.500 -0.054 0.000 0.766 393 K HN 0.230 nan 8.250 nan 0.000 0.466 394 L N -0.237 120.929 121.223 -0.094 0.000 2.316 394 L HA 0.136 4.476 4.340 -0.000 0.000 0.207 394 L C 2.446 179.252 176.870 -0.106 0.000 1.070 394 L CA 0.312 55.093 54.840 -0.099 0.000 0.820 394 L CB -0.363 41.637 42.059 -0.097 0.000 0.992 394 L HN 0.077 nan 8.230 nan 0.000 0.466 395 A N 1.404 124.156 122.820 -0.114 0.000 1.892 395 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 395 A C -0.169 177.343 177.584 -0.120 0.000 1.188 395 A CA 1.891 53.858 52.037 -0.118 0.000 0.631 395 A CB -1.851 17.074 19.000 -0.125 0.000 0.822 395 A HN 0.255 nan 8.150 nan 0.000 0.447 396 P HA -0.102 nan 4.420 nan 0.000 0.222 396 P C 1.447 178.680 177.300 -0.111 0.000 1.147 396 P CA 0.614 63.650 63.100 -0.107 0.000 0.790 396 P CB -0.118 31.528 31.700 -0.090 0.000 0.780 397 L N -0.873 120.285 121.223 -0.108 0.000 2.131 397 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 397 L C 2.427 179.213 176.870 -0.138 0.000 1.092 397 L CA 1.403 56.178 54.840 -0.107 0.000 0.759 397 L CB -0.328 41.673 42.059 -0.097 0.000 0.903 397 L HN -0.029 nan 8.230 nan 0.000 0.435 398 R N -0.562 119.842 120.500 -0.159 0.000 2.193 398 R HA -0.124 4.216 4.340 -0.000 0.000 0.229 398 R C 2.037 178.192 176.300 -0.242 0.000 1.110 398 R CA 0.684 56.657 56.100 -0.212 0.000 0.988 398 R CB 0.013 30.188 30.300 -0.208 0.000 0.871 398 R HN 0.306 nan 8.270 nan 0.000 0.458 399 K N -0.043 120.243 120.400 -0.191 0.000 2.099 399 K HA 0.013 4.333 4.320 -0.000 0.000 0.203 399 K C 2.171 178.676 176.600 -0.159 0.000 1.047 399 K CA 1.410 57.588 56.287 -0.182 0.000 0.963 399 K CB -0.060 32.351 32.500 -0.148 0.000 0.759 399 K HN 0.130 nan 8.250 nan 0.000 0.451 400 S N 0.724 116.346 115.700 -0.130 0.000 2.436 400 S HA -0.004 4.466 4.470 -0.000 0.000 0.228 400 S C 0.876 175.415 174.600 -0.101 0.000 1.014 400 S CA 0.282 58.419 58.200 -0.104 0.000 0.950 400 S CB -0.077 63.073 63.200 -0.083 0.000 0.784 400 S HN 0.061 nan 8.310 nan 0.000 0.504 401 N N 2.179 120.809 118.700 -0.117 0.000 2.564 401 N HA 0.362 5.102 4.740 -0.000 0.000 0.248 401 N C -2.380 173.042 175.510 -0.147 0.000 0.986 401 N CA -2.166 50.827 53.050 -0.095 0.000 0.921 401 N CB 1.956 40.407 38.487 -0.059 0.000 1.136 401 N HN 0.020 nan 8.380 nan 0.000 0.509 402 P HA -0.087 nan 4.420 nan 0.000 0.225 402 P C 0.937 178.108 177.300 -0.216 0.000 1.148 402 P CA 0.642 63.581 63.100 -0.267 0.000 0.779 402 P CB 0.349 32.037 31.700 -0.020 0.000 0.780 403 A N -0.027 122.797 122.820 0.006 0.000 1.933 403 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 403 A C 2.205 179.778 177.584 -0.018 0.000 1.175 403 A CA 1.360 53.453 52.037 0.094 0.000 0.628 403 A CB -1.462 17.613 19.000 0.125 0.000 0.814 403 A HN 0.154 nan 8.150 nan 0.000 0.444 404 I N -0.504 120.005 120.570 -0.102 0.000 2.353 404 I HA -0.158 4.012 4.170 -0.000 0.000 0.248 404 I C 2.822 178.800 176.117 -0.231 0.000 1.119 404 I CA 1.048 62.271 61.300 -0.128 0.000 1.417 404 I CB -0.154 37.767 38.000 -0.132 0.000 1.078 404 I HN 0.307 nan 8.210 nan 0.000 0.421 405 A N -0.179 122.388 122.820 -0.423 0.000 1.898 405 A HA -0.112 4.208 4.320 -0.000 0.000 0.214 405 A C 1.660 178.899 177.584 -0.574 0.000 1.183 405 A CA 1.534 53.174 52.037 -0.661 0.000 0.622 405 A CB -0.454 17.864 19.000 -1.138 0.000 0.824 405 A HN 0.466 nan 8.150 nan 0.000 0.444 406 Y N -0.839 119.279 120.300 -0.302 0.000 2.471 406 Y HA 0.359 4.909 4.550 -0.000 0.000 0.249 406 Y C 1.558 177.427 175.900 -0.052 0.000 1.116 406 Y CA -0.980 56.934 58.100 -0.311 0.000 1.240 406 Y CB -0.784 37.131 38.460 -0.908 0.000 1.251 406 Y HN 0.212 nan 8.280 nan 0.000 0.527 407 G N 1.186 110.066 108.800 0.134 0.000 2.614 407 G HA2 0.313 4.273 3.960 -0.000 0.000 0.239 407 G HA3 0.313 4.273 3.960 -0.000 0.000 0.239 407 G C 0.424 175.442 174.900 0.197 0.000 1.240 407 G CA 0.009 45.262 45.100 0.254 0.000 0.842 407 G HN 0.268 nan 8.290 nan 0.000 0.584 408 S N -0.319 115.501 115.700 0.200 0.000 2.617 408 S HA 0.533 5.003 4.470 -0.000 0.000 0.259 408 S C 0.120 174.802 174.600 0.137 0.000 1.301 408 S CA -0.306 57.984 58.200 0.149 0.000 0.984 408 S CB 1.197 64.476 63.200 0.132 0.000 0.954 408 S HN 0.613 nan 8.310 nan 0.000 0.572 409 T N 1.274 115.901 114.554 0.122 0.000 2.848 409 T HA 0.563 4.913 4.350 -0.000 0.000 0.285 409 T C -0.966 173.817 174.700 0.138 0.000 0.995 409 T CA -0.532 61.651 62.100 0.138 0.000 0.970 409 T CB 1.406 70.331 68.868 0.095 0.000 0.976 409 T HN 0.698 nan 8.240 nan 0.000 0.441 410 Q N 2.070 121.975 119.800 0.175 0.000 2.271 410 Q HA 0.298 4.638 4.340 -0.000 0.000 0.268 410 Q C -1.052 175.067 176.000 0.198 0.000 1.021 410 Q CA -0.718 55.178 55.803 0.155 0.000 0.802 410 Q CB 1.646 30.460 28.738 0.126 0.000 1.282 410 Q HN 0.606 nan 8.270 nan 0.000 0.431 411 E N 3.555 123.858 120.200 0.172 0.000 2.324 411 E HA 0.058 4.408 4.350 -0.000 0.000 0.271 411 E C -0.304 176.399 176.600 0.172 0.000 1.028 411 E CA 0.179 56.693 56.400 0.191 0.000 0.890 411 E CB 0.678 30.458 29.700 0.133 0.000 1.004 411 E HN 0.654 nan 8.360 nan 0.000 0.431 412 R N 3.327 123.958 120.500 0.219 0.000 2.344 412 R HA 0.142 4.482 4.340 -0.000 0.000 0.209 412 R C -0.304 176.174 176.300 0.296 0.000 0.886 412 R CA 0.141 56.370 56.100 0.215 0.000 1.040 412 R CB 0.507 30.935 30.300 0.213 0.000 1.114 412 R HN 0.578 nan 8.270 nan 0.000 0.547 413 W N 0.051 121.404 121.300 0.088 0.000 3.573 413 W HA 0.557 5.217 4.660 -0.000 0.000 0.306 413 W C -1.688 174.852 176.519 0.035 0.000 1.227 413 W CA -0.568 56.813 57.345 0.061 0.000 1.212 413 W CB 1.353 30.854 29.460 0.068 0.000 1.331 413 W HN -0.176 nan 8.180 nan 0.000 0.524 414 I N 6.015 126.589 120.570 0.006 0.000 2.785 414 I HA 0.422 4.591 4.170 -0.000 0.000 0.293 414 I C -1.429 174.558 176.117 -0.215 0.000 1.446 414 I CA -0.379 60.893 61.300 -0.046 0.000 1.028 414 I CB 1.379 39.277 38.000 -0.171 0.000 1.349 414 I HN 0.634 nan 8.210 nan 0.000 0.438 415 N N 3.668 122.286 118.700 -0.136 0.000 3.506 415 N HA 0.352 5.092 4.740 -0.000 0.000 0.331 415 N C -0.262 175.156 175.510 -0.153 0.000 1.631 415 N CA -0.622 52.394 53.050 -0.058 0.000 0.786 415 N CB 0.220 38.773 38.487 0.110 0.000 2.023 415 N HN 0.560 nan 8.380 nan 0.000 0.621 416 N N -0.926 117.837 118.700 0.104 0.000 2.061 416 N HA -0.139 4.601 4.740 -0.000 0.000 0.193 416 N C -0.223 175.264 175.510 -0.038 0.000 1.030 416 N CA 1.697 54.802 53.050 0.092 0.000 0.856 416 N CB -0.117 38.434 38.487 0.107 0.000 1.023 416 N HN 0.510 nan 8.380 nan 0.000 0.424 417 D N -0.378 120.016 120.400 -0.010 0.000 2.417 417 D HA 0.108 4.748 4.640 -0.000 0.000 0.207 417 D C -0.223 176.067 176.300 -0.016 0.000 1.075 417 D CA 0.244 54.224 54.000 -0.033 0.000 0.851 417 D CB 0.987 41.790 40.800 0.005 0.000 0.976 417 D HN -0.034 nan 8.370 nan 0.000 0.505 418 V N 1.934 121.873 119.914 0.042 0.000 2.459 418 V HA 0.409 4.529 4.120 -0.000 0.000 0.295 418 V C -0.603 175.568 176.094 0.127 0.000 1.029 418 V CA -0.854 61.514 62.300 0.114 0.000 0.874 418 V CB 2.423 34.370 31.823 0.206 0.000 0.985 418 V HN -0.064 nan 8.190 nan 0.000 0.438 419 L N 6.445 127.763 121.223 0.159 0.000 2.406 419 L HA 0.666 5.006 4.340 -0.000 0.000 0.272 419 L C -0.935 176.127 176.870 0.320 0.000 0.980 419 L CA 0.029 55.002 54.840 0.222 0.000 0.831 419 L CB 1.590 43.760 42.059 0.183 0.000 1.253 419 L HN 0.567 nan 8.230 nan 0.000 0.406 420 I N 6.402 127.178 120.570 0.344 0.000 2.382 420 I HA 0.349 4.519 4.170 -0.000 0.000 0.285 420 I C -1.113 175.190 176.117 0.310 0.000 1.007 420 I CA -0.746 60.724 61.300 0.284 0.000 1.142 420 I CB 1.013 39.197 38.000 0.307 0.000 1.289 420 I HN 0.617 nan 8.210 nan 0.000 0.453 421 Y N 3.303 123.725 120.300 0.204 0.000 2.549 421 Y HA 0.752 5.302 4.550 -0.000 0.000 0.339 421 Y C -0.579 175.407 175.900 0.144 0.000 1.053 421 Y CA -1.335 56.869 58.100 0.172 0.000 1.105 421 Y CB 1.108 39.676 38.460 0.180 0.000 1.258 421 Y HN 0.488 nan 8.280 nan 0.000 0.478 422 E N 2.286 122.644 120.200 0.264 0.000 2.222 422 E HA 0.476 4.825 4.350 -0.000 0.000 0.267 422 E C -1.183 175.536 176.600 0.199 0.000 0.884 422 E CA -1.136 55.361 56.400 0.161 0.000 0.764 422 E CB 1.011 30.786 29.700 0.125 0.000 1.169 422 E HN 0.624 nan 8.360 nan 0.000 0.413 423 R N 3.479 124.072 120.500 0.156 0.000 2.445 423 R HA 0.441 4.781 4.340 -0.000 0.000 0.308 423 R C -0.741 175.642 176.300 0.139 0.000 0.961 423 R CA -0.637 55.554 56.100 0.152 0.000 0.862 423 R CB 1.496 31.872 30.300 0.125 0.000 1.144 423 R HN 0.491 nan 8.270 nan 0.000 0.447 424 K N 2.485 122.982 120.400 0.163 0.000 2.482 424 K HA 0.453 4.773 4.320 -0.000 0.000 0.251 424 K C -1.799 174.957 176.600 0.260 0.000 0.936 424 K CA -0.595 55.797 56.287 0.174 0.000 0.791 424 K CB 1.442 34.017 32.500 0.125 0.000 1.213 424 K HN 0.420 nan 8.250 nan 0.000 0.428 425 F N 4.061 124.062 119.950 0.084 0.000 2.730 425 F HA 0.399 4.926 4.527 -0.000 0.000 0.335 425 F C 0.310 176.154 175.800 0.074 0.000 1.212 425 F CA 0.685 58.741 58.000 0.093 0.000 1.016 425 F CB 1.277 40.354 39.000 0.129 0.000 1.290 425 F HN 0.850 nan 8.300 nan 0.000 0.495 426 G N 3.427 111.982 108.800 -0.409 0.000 2.622 426 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.307 426 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.307 426 G C 0.611 175.482 174.900 -0.048 0.000 1.226 426 G CA 0.265 45.193 45.100 -0.286 0.000 0.997 426 G HN 0.843 nan 8.290 nan 0.000 0.551 427 S N 2.444 118.149 115.700 0.010 0.000 2.685 427 S HA 0.261 4.731 4.470 -0.000 0.000 0.240 427 S C 0.352 175.057 174.600 0.176 0.000 0.967 427 S CA -0.092 58.171 58.200 0.105 0.000 1.009 427 S CB -0.442 62.815 63.200 0.095 0.000 0.776 427 S HN 0.494 nan 8.310 nan 0.000 0.467 428 N N 1.051 119.849 118.700 0.162 0.000 2.321 428 N HA 0.526 5.266 4.740 -0.000 0.000 0.299 428 N C -1.141 174.491 175.510 0.204 0.000 1.048 428 N CA -0.293 52.865 53.050 0.180 0.000 0.836 428 N CB 2.331 40.908 38.487 0.150 0.000 1.269 428 N HN -0.081 nan 8.380 nan 0.000 0.486 429 V N 0.316 120.363 119.914 0.222 0.000 2.971 429 V HA 0.813 4.933 4.120 -0.000 0.000 0.309 429 V C -0.837 175.327 176.094 0.116 0.000 1.130 429 V CA -0.845 61.550 62.300 0.159 0.000 0.964 429 V CB 1.937 33.837 31.823 0.130 0.000 1.029 429 V HN 0.842 nan 8.190 nan 0.000 0.427 430 A N 3.054 125.918 122.820 0.073 0.000 2.427 430 A HA 0.879 5.199 4.320 -0.000 0.000 0.298 430 A C -1.403 176.186 177.584 0.008 0.000 1.036 430 A CA -0.521 51.536 52.037 0.034 0.000 0.701 430 A CB 1.918 20.924 19.000 0.010 0.000 1.250 430 A HN 0.726 nan 8.150 nan 0.000 0.412 431 V N 2.833 122.752 119.914 0.008 0.000 2.409 431 V HA 0.535 4.655 4.120 -0.000 0.000 0.291 431 V C -0.458 175.562 176.094 -0.123 0.000 1.020 431 V CA -0.506 61.802 62.300 0.015 0.000 0.848 431 V CB 1.564 33.493 31.823 0.176 0.000 0.990 431 V HN 0.688 nan 8.190 nan 0.000 0.430 432 V N 3.864 123.536 119.914 -0.403 0.000 2.495 432 V HA 0.839 4.959 4.120 -0.000 0.000 0.298 432 V C 0.225 176.079 176.094 -0.400 0.000 1.031 432 V CA -0.536 61.418 62.300 -0.577 0.000 0.871 432 V CB 1.797 33.102 31.823 -0.863 0.000 0.988 432 V HN 0.970 nan 8.190 nan 0.000 0.432 433 A N 4.663 127.319 122.820 -0.272 0.000 2.318 433 A HA 0.895 5.215 4.320 -0.000 0.000 0.317 433 A C -0.938 176.659 177.584 0.022 0.000 1.159 433 A CA -0.529 51.500 52.037 -0.013 0.000 0.799 433 A CB 1.486 20.585 19.000 0.166 0.000 1.194 433 A HN 0.731 nan 8.150 nan 0.000 0.479 434 V N 2.768 122.764 119.914 0.137 0.000 2.577 434 V HA 0.404 4.524 4.120 -0.000 0.000 0.303 434 V C -0.634 175.552 176.094 0.154 0.000 1.042 434 V CA -0.817 61.588 62.300 0.175 0.000 0.872 434 V CB 1.915 33.924 31.823 0.310 0.000 0.998 434 V HN 0.881 nan 8.190 nan 0.000 0.423 435 N N 3.408 122.184 118.700 0.126 0.000 2.626 435 N HA 0.279 5.019 4.740 -0.000 0.000 0.242 435 N C 1.096 176.665 175.510 0.100 0.000 1.005 435 N CA -0.831 52.273 53.050 0.091 0.000 0.905 435 N CB 1.225 39.752 38.487 0.066 0.000 1.128 435 N HN 0.646 nan 8.380 nan 0.000 0.512 436 R N 1.758 122.302 120.500 0.073 0.000 2.152 436 R HA -0.004 4.336 4.340 -0.000 0.000 0.232 436 R C 0.544 176.877 176.300 0.056 0.000 1.117 436 R CA 0.632 56.774 56.100 0.070 0.000 0.981 436 R CB -0.470 29.760 30.300 -0.116 0.000 0.870 436 R HN 0.281 nan 8.270 nan 0.000 0.451 437 N N 1.619 120.341 118.700 0.036 0.000 2.416 437 N HA -0.050 4.690 4.740 -0.000 0.000 0.271 437 N C 0.060 175.598 175.510 0.048 0.000 1.245 437 N CA 0.020 53.091 53.050 0.035 0.000 0.940 437 N CB 0.659 39.164 38.487 0.029 0.000 1.175 437 N HN 0.114 nan 8.380 nan 0.000 0.483 438 L N 3.599 124.853 121.223 0.051 0.000 2.552 438 L HA 0.033 4.373 4.340 -0.000 0.000 0.227 438 L C 1.058 177.953 176.870 0.042 0.000 1.146 438 L CA 1.007 55.879 54.840 0.054 0.000 0.858 438 L CB -0.894 41.201 42.059 0.060 0.000 0.969 438 L HN 0.567 nan 8.230 nan 0.000 0.451 439 N N -1.313 117.408 118.700 0.035 0.000 2.317 439 N HA 0.265 5.004 4.740 -0.000 0.000 0.199 439 N C 0.313 175.839 175.510 0.027 0.000 1.145 439 N CA 0.272 53.339 53.050 0.029 0.000 0.882 439 N CB 0.855 39.356 38.487 0.024 0.000 1.113 439 N HN 0.152 nan 8.380 nan 0.000 0.486 440 A N 1.562 124.399 122.820 0.028 0.000 2.330 440 A HA 0.563 4.883 4.320 -0.000 0.000 0.313 440 A C -2.645 174.955 177.584 0.025 0.000 1.124 440 A CA -1.511 50.541 52.037 0.026 0.000 0.774 440 A CB 1.151 20.167 19.000 0.026 0.000 1.198 440 A HN -0.115 nan 8.150 nan 0.000 0.465 441 P HA 0.520 nan 4.420 nan 0.000 0.276 441 P C -0.507 176.790 177.300 -0.005 0.000 1.252 441 P CA -0.149 62.958 63.100 0.011 0.000 0.802 441 P CB 1.570 33.277 31.700 0.011 0.000 1.035 442 A N 0.956 123.751 122.820 -0.041 0.000 2.365 442 A HA 0.541 4.861 4.320 -0.000 0.000 0.318 442 A C -0.261 177.210 177.584 -0.189 0.000 1.091 442 A CA -0.589 51.400 52.037 -0.080 0.000 0.763 442 A CB 0.951 19.898 19.000 -0.088 0.000 1.248 442 A HN 0.372 nan 8.150 nan 0.000 0.442 443 S N 1.922 117.523 115.700 -0.165 0.000 2.411 443 S HA 0.388 4.858 4.470 -0.000 0.000 0.294 443 S C -0.158 174.189 174.600 -0.421 0.000 1.115 443 S CA -0.363 57.697 58.200 -0.233 0.000 1.071 443 S CB -0.272 62.876 63.200 -0.086 0.000 0.967 443 S HN 0.443 nan 8.310 nan 0.000 0.488 444 I N 4.823 124.908 120.570 -0.808 0.000 2.287 444 I HA 0.278 4.448 4.170 -0.000 0.000 0.290 444 I C 0.569 176.315 176.117 -0.619 0.000 1.069 444 I CA -0.284 60.325 61.300 -1.152 0.000 1.237 444 I CB -0.167 36.716 38.000 -1.862 0.000 1.418 444 I HN 0.527 nan 8.210 nan 0.000 0.481 445 S N 2.620 118.241 115.700 -0.131 0.000 2.548 445 S HA 0.801 5.271 4.470 -0.000 0.000 0.286 445 S C 0.573 175.338 174.600 0.274 0.000 1.098 445 S CA -0.087 58.142 58.200 0.049 0.000 0.930 445 S CB 2.244 65.477 63.200 0.056 0.000 1.070 445 S HN 1.117 nan 8.310 nan 0.000 0.480 446 G N 0.151 109.063 108.800 0.187 0.000 2.143 446 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.249 446 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.249 446 G C -0.204 174.856 174.900 0.266 0.000 0.981 446 G CA 0.133 45.353 45.100 0.200 0.000 0.665 446 G HN 1.262 nan 8.290 nan 0.000 0.528 447 L N 1.273 122.666 121.223 0.284 0.000 2.410 447 L HA 0.629 4.969 4.340 -0.000 0.000 0.273 447 L C 0.186 177.152 176.870 0.159 0.000 1.144 447 L CA -0.274 54.743 54.840 0.295 0.000 0.863 447 L CB 1.321 43.501 42.059 0.202 0.000 1.140 447 L HN 0.106 nan 8.230 nan 0.000 0.463 448 V N 4.946 124.947 119.914 0.145 0.000 2.540 448 V HA 0.709 4.829 4.120 -0.000 0.000 0.302 448 V C 0.252 176.384 176.094 0.064 0.000 1.035 448 V CA 0.027 62.374 62.300 0.079 0.000 0.873 448 V CB 1.739 33.601 31.823 0.066 0.000 0.992 448 V HN 1.003 nan 8.190 nan 0.000 0.428 449 T N 0.556 115.121 114.554 0.019 0.000 2.831 449 T HA 0.401 4.751 4.350 -0.000 0.000 0.287 449 T C 0.472 175.159 174.700 -0.021 0.000 1.070 449 T CA -0.392 61.708 62.100 0.001 0.000 1.010 449 T CB 1.954 70.793 68.868 -0.048 0.000 1.264 449 T HN 0.291 nan 8.240 nan 0.000 0.532 450 S N -0.154 115.530 115.700 -0.027 0.000 2.556 450 S HA 0.326 4.796 4.470 -0.000 0.000 0.216 450 S C 0.601 175.141 174.600 -0.100 0.000 0.970 450 S CA -0.473 57.705 58.200 -0.036 0.000 0.912 450 S CB -0.612 62.590 63.200 0.002 0.000 0.790 450 S HN 0.470 nan 8.310 nan 0.000 0.504 451 L N 3.037 124.165 121.223 -0.158 0.000 2.453 451 L HA 0.198 4.538 4.340 -0.000 0.000 0.272 451 L C -2.309 174.430 176.870 -0.218 0.000 1.182 451 L CA -1.673 52.998 54.840 -0.281 0.000 0.858 451 L CB -0.065 41.693 42.059 -0.503 0.000 1.120 451 L HN -0.057 nan 8.230 nan 0.000 0.474 452 P HA -0.005 nan 4.420 nan 0.000 0.272 452 P C -0.842 176.449 177.300 -0.016 0.000 1.230 452 P CA -0.472 62.508 63.100 -0.200 0.000 0.788 452 P CB 0.425 31.887 31.700 -0.396 0.000 0.949 453 Q N 0.823 120.610 119.800 -0.021 0.000 2.333 453 Q HA 0.363 4.703 4.340 -0.000 0.000 0.299 453 Q C 0.164 176.173 176.000 0.015 0.000 1.067 453 Q CA 0.846 56.654 55.803 0.009 0.000 0.943 453 Q CB -0.281 28.448 28.738 -0.014 0.000 1.233 453 Q HN 0.722 nan 8.270 nan 0.000 0.401 454 G N 1.544 110.353 108.800 0.015 0.000 2.369 454 G HA2 0.097 4.057 3.960 -0.000 0.000 0.293 454 G HA3 0.097 4.057 3.960 -0.000 0.000 0.293 454 G C -1.544 173.281 174.900 -0.126 0.000 1.301 454 G CA -0.497 44.536 45.100 -0.110 0.000 0.913 454 G HN 0.579 nan 8.290 nan 0.000 0.540 455 S N -0.281 115.258 115.700 -0.268 0.000 2.451 455 S HA 0.715 5.185 4.470 -0.000 0.000 0.301 455 S C -1.376 173.020 174.600 -0.340 0.000 1.116 455 S CA -0.312 57.775 58.200 -0.190 0.000 1.093 455 S CB 1.045 64.169 63.200 -0.125 0.000 1.017 455 S HN 0.472 nan 8.310 nan 0.000 0.482 456 Y N 1.842 122.077 120.300 -0.107 0.000 2.341 456 Y HA 0.387 4.937 4.550 -0.000 0.000 0.338 456 Y C 0.528 176.497 175.900 0.115 0.000 0.965 456 Y CA -1.086 57.018 58.100 0.006 0.000 1.108 456 Y CB 0.925 39.393 38.460 0.013 0.000 1.180 456 Y HN 0.502 nan 8.280 nan 0.000 0.458 457 N N 1.958 120.808 118.700 0.251 0.000 2.530 457 N HA 0.006 4.745 4.740 -0.000 0.000 0.273 457 N C -0.740 174.952 175.510 0.304 0.000 1.173 457 N CA -0.314 52.870 53.050 0.222 0.000 0.967 457 N CB 0.771 39.320 38.487 0.105 0.000 1.109 457 N HN 0.682 nan 8.380 nan 0.000 0.453 458 D N 1.102 121.633 120.400 0.219 0.000 2.401 458 D HA -0.016 4.624 4.640 -0.000 0.000 0.254 458 D C 1.002 177.273 176.300 -0.049 0.000 1.192 458 D CA -0.150 53.839 54.000 -0.019 0.000 0.885 458 D CB 0.731 41.501 40.800 -0.050 0.000 1.147 458 D HN 0.142 nan 8.370 nan 0.000 0.478 459 V N 4.348 124.196 119.914 -0.111 0.000 2.720 459 V HA -0.196 3.924 4.120 -0.000 0.000 0.256 459 V C 2.161 178.209 176.094 -0.077 0.000 1.082 459 V CA 1.227 63.484 62.300 -0.071 0.000 1.101 459 V CB -0.525 31.247 31.823 -0.085 0.000 0.693 459 V HN 0.652 nan 8.190 nan 0.000 0.479 460 L N 0.292 121.450 121.223 -0.108 0.000 2.554 460 L HA 0.225 4.565 4.340 -0.000 0.000 0.226 460 L C 1.808 178.653 176.870 -0.043 0.000 1.137 460 L CA 0.823 55.616 54.840 -0.079 0.000 0.863 460 L CB -0.544 41.455 42.059 -0.100 0.000 0.985 460 L HN 0.521 nan 8.230 nan 0.000 0.451 461 G N 0.020 108.801 108.800 -0.032 0.000 2.225 461 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.267 461 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.267 461 G C 0.986 175.886 174.900 0.000 0.000 1.024 461 G CA 0.346 45.442 45.100 -0.006 0.000 0.784 461 G HN 0.679 nan 8.290 nan 0.000 0.507 462 G N -1.719 107.076 108.800 -0.008 0.000 2.179 462 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.260 462 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.260 462 G C 1.225 176.128 174.900 0.004 0.000 0.977 462 G CA 1.063 46.165 45.100 0.004 0.000 0.641 462 G HN 1.605 nan 8.290 nan 0.000 0.533 463 L N 0.075 121.296 121.223 -0.003 0.000 2.089 463 L HA 0.110 4.450 4.340 -0.000 0.000 0.213 463 L C 1.997 178.873 176.870 0.011 0.000 1.079 463 L CA 2.356 57.200 54.840 0.007 0.000 0.758 463 L CB -0.126 41.936 42.059 0.004 0.000 0.891 463 L HN 0.439 nan 8.230 nan 0.000 0.433 464 L N -0.273 120.949 121.223 -0.001 0.000 3.094 464 L HA 0.253 4.593 4.340 -0.000 0.000 0.254 464 L C 0.212 177.090 176.870 0.014 0.000 1.298 464 L CA -0.139 54.706 54.840 0.008 0.000 1.050 464 L CB -0.613 41.444 42.059 -0.003 0.000 1.420 464 L HN 0.328 nan 8.230 nan 0.000 0.548 465 N N -0.498 118.213 118.700 0.019 0.000 2.741 465 N HA -0.166 4.574 4.740 -0.000 0.000 0.250 465 N C 0.707 176.239 175.510 0.037 0.000 1.115 465 N CA 0.720 53.789 53.050 0.032 0.000 0.724 465 N CB -1.049 37.463 38.487 0.041 0.000 1.090 465 N HN 0.603 nan 8.380 nan 0.000 0.558 466 G N 0.084 108.890 108.800 0.010 0.000 2.653 466 G HA2 0.433 4.393 3.960 -0.000 0.000 0.265 466 G HA3 0.433 4.393 3.960 -0.000 0.000 0.265 466 G C 0.192 175.134 174.900 0.070 0.000 1.237 466 G CA -0.001 45.101 45.100 0.004 0.000 0.946 466 G HN 0.450 nan 8.290 nan 0.000 0.522 467 N N -1.894 116.893 118.700 0.145 0.000 2.774 467 N HA 0.287 5.027 4.740 -0.000 0.000 0.264 467 N C -1.018 174.653 175.510 0.267 0.000 1.415 467 N CA -0.616 52.529 53.050 0.159 0.000 0.815 467 N CB 1.217 39.780 38.487 0.127 0.000 1.514 467 N HN 0.325 nan 8.380 nan 0.000 0.523 468 T N 0.839 115.467 114.554 0.124 0.000 2.913 468 T HA 0.323 4.673 4.350 -0.000 0.000 0.297 468 T C -0.123 174.441 174.700 -0.225 0.000 1.029 468 T CA -0.200 61.944 62.100 0.074 0.000 1.104 468 T CB 0.362 69.238 68.868 0.014 0.000 0.964 468 T HN 0.366 nan 8.240 nan 0.000 0.532 469 L N 2.440 123.372 121.223 -0.485 0.000 2.329 469 L HA 0.547 4.887 4.340 -0.000 0.000 0.279 469 L C -0.413 176.226 176.870 -0.386 0.000 1.014 469 L CA -0.023 54.302 54.840 -0.858 0.000 0.814 469 L CB 1.929 42.898 42.059 -1.817 0.000 1.257 469 L HN 0.532 nan 8.230 nan 0.000 0.424 470 S N 3.665 119.185 115.700 -0.302 0.000 2.498 470 S HA 0.606 5.076 4.470 -0.000 0.000 0.324 470 S C -0.750 173.787 174.600 -0.106 0.000 1.071 470 S CA -0.530 57.589 58.200 -0.135 0.000 1.113 470 S CB 1.240 64.386 63.200 -0.090 0.000 0.976 470 S HN 0.367 nan 8.310 nan 0.000 0.462 471 V N 3.517 123.409 119.914 -0.038 0.000 2.370 471 V HA 0.631 4.751 4.120 -0.000 0.000 0.283 471 V C 1.003 177.092 176.094 -0.009 0.000 1.023 471 V CA -0.482 61.800 62.300 -0.029 0.000 0.857 471 V CB 1.370 33.191 31.823 -0.003 0.000 0.985 471 V HN 0.898 nan 8.190 nan 0.000 0.443 472 G N 3.313 112.103 108.800 -0.017 0.000 2.509 472 G HA2 0.451 4.411 3.960 -0.000 0.000 0.269 472 G HA3 0.451 4.411 3.960 -0.000 0.000 0.269 472 G C 0.260 175.153 174.900 -0.012 0.000 1.416 472 G CA -0.085 45.008 45.100 -0.011 0.000 1.052 472 G HN 0.843 nan 8.290 nan 0.000 0.542 473 S N -1.776 113.918 115.700 -0.010 0.000 2.585 473 S HA 0.448 4.918 4.470 -0.000 0.000 0.273 473 S C 1.267 175.861 174.600 -0.010 0.000 1.339 473 S CA 0.512 58.706 58.200 -0.011 0.000 1.028 473 S CB 1.068 64.263 63.200 -0.008 0.000 0.906 473 S HN 2.340 nan 8.310 nan 0.000 0.528 474 G N 0.924 109.716 108.800 -0.012 0.000 2.179 474 G HA2 0.089 4.049 3.960 -0.000 0.000 0.260 474 G HA3 0.089 4.049 3.960 -0.000 0.000 0.260 474 G C 1.127 176.020 174.900 -0.012 0.000 0.977 474 G CA 0.429 45.524 45.100 -0.008 0.000 0.641 474 G HN 2.414 nan 8.290 nan 0.000 0.533 475 G N -1.123 107.663 108.800 -0.024 0.000 2.143 475 G HA2 0.195 4.155 3.960 -0.000 0.000 0.248 475 G HA3 0.195 4.155 3.960 -0.000 0.000 0.248 475 G C 0.653 175.538 174.900 -0.026 0.000 0.991 475 G CA 1.154 46.231 45.100 -0.038 0.000 0.689 475 G HN 2.322 nan 8.290 nan 0.000 0.522 476 A N -0.056 122.757 122.820 -0.011 0.000 2.354 476 A HA 0.841 5.160 4.320 -0.000 0.000 0.281 476 A C 0.797 178.376 177.584 -0.008 0.000 1.174 476 A CA 0.835 52.875 52.037 0.005 0.000 0.828 476 A CB 0.620 19.629 19.000 0.016 0.000 1.099 476 A HN 2.043 nan 8.150 nan 0.000 0.516 477 A N 3.067 125.886 122.820 -0.001 0.000 2.331 477 A HA 0.590 4.910 4.320 -0.000 0.000 0.283 477 A C 0.747 178.350 177.584 0.033 0.000 1.142 477 A CA -0.322 51.702 52.037 -0.022 0.000 0.812 477 A CB 0.100 19.075 19.000 -0.042 0.000 1.074 477 A HN 0.893 nan 8.150 nan 0.000 0.497 478 S N 1.582 117.292 115.700 0.018 0.000 2.572 478 S HA 0.052 4.522 4.470 -0.000 0.000 0.279 478 S C 0.512 175.185 174.600 0.121 0.000 1.341 478 S CA -0.295 57.932 58.200 0.045 0.000 1.043 478 S CB 0.037 63.248 63.200 0.018 0.000 0.887 478 S HN 0.788 nan 8.310 nan 0.000 0.516 479 N N 1.396 120.139 118.700 0.071 0.000 2.353 479 N HA 0.298 5.038 4.740 -0.000 0.000 0.248 479 N C -0.562 175.016 175.510 0.113 0.000 1.240 479 N CA 0.453 53.519 53.050 0.026 0.000 0.862 479 N CB 0.097 38.579 38.487 -0.008 0.000 1.086 479 N HN 0.543 nan 8.380 nan 0.000 0.453 480 F N -1.961 117.934 119.950 -0.092 0.000 2.686 480 F HA 0.465 4.992 4.527 -0.000 0.000 0.311 480 F C -0.992 174.759 175.800 -0.082 0.000 1.128 480 F CA -1.134 56.818 58.000 -0.080 0.000 0.946 480 F CB 0.936 39.880 39.000 -0.092 0.000 1.336 480 F HN 0.050 nan 8.300 nan 0.000 0.457 481 T N 3.207 117.814 114.554 0.090 0.000 2.767 481 T HA 0.480 4.830 4.350 -0.000 0.000 0.284 481 T C -0.961 173.822 174.700 0.138 0.000 0.973 481 T CA -0.284 61.808 62.100 -0.014 0.000 0.996 481 T CB 1.134 70.020 68.868 0.031 0.000 0.927 481 T HN 0.671 nan 8.240 nan 0.000 0.456 482 L N 4.670 125.887 121.223 -0.010 0.000 2.268 482 L HA 0.622 4.962 4.340 -0.000 0.000 0.289 482 L C 0.573 177.483 176.870 0.066 0.000 1.064 482 L CA -0.463 54.447 54.840 0.118 0.000 0.824 482 L CB -0.548 41.530 42.059 0.032 0.000 1.202 482 L HN 0.787 nan 8.230 nan 0.000 0.433 483 A N 4.501 127.378 122.820 0.094 0.000 2.536 483 A HA 0.483 4.803 4.320 -0.000 0.000 0.234 483 A C 0.688 178.304 177.584 0.054 0.000 1.076 483 A CA 0.228 52.303 52.037 0.064 0.000 0.769 483 A CB -0.166 18.874 19.000 0.067 0.000 1.020 483 A HN 1.155 nan 8.150 nan 0.000 0.508 484 A N 0.624 123.470 122.820 0.045 0.000 2.546 484 A HA 0.465 4.785 4.320 -0.000 0.000 0.243 484 A C 1.713 179.330 177.584 0.055 0.000 1.063 484 A CA 0.801 52.865 52.037 0.045 0.000 0.757 484 A CB -0.995 18.029 19.000 0.039 0.000 0.991 484 A HN 2.788 nan 8.150 nan 0.000 0.503 485 G N 1.882 110.721 108.800 0.065 0.000 2.180 485 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.263 485 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.263 485 G C 0.867 175.812 174.900 0.076 0.000 0.989 485 G CA 0.841 45.990 45.100 0.081 0.000 0.692 485 G HN 1.982 nan 8.290 nan 0.000 0.526 486 G N -0.743 108.099 108.800 0.070 0.000 2.441 486 G HA2 0.546 4.506 3.960 -0.000 0.000 0.243 486 G HA3 0.546 4.506 3.960 -0.000 0.000 0.243 486 G C -0.108 174.824 174.900 0.054 0.000 1.281 486 G CA 0.868 46.005 45.100 0.063 0.000 0.854 486 G HN 0.717 nan 8.290 nan 0.000 0.560 487 T N 0.394 114.955 114.554 0.011 0.000 2.991 487 T HA 0.655 5.005 4.350 -0.000 0.000 0.303 487 T C -0.284 174.326 174.700 -0.149 0.000 1.015 487 T CA -0.021 62.057 62.100 -0.037 0.000 1.007 487 T CB 1.686 70.547 68.868 -0.012 0.000 1.034 487 T HN 1.081 nan 8.240 nan 0.000 0.446 488 A N 2.405 125.036 122.820 -0.316 0.000 2.498 488 A HA 0.926 5.246 4.320 -0.000 0.000 0.298 488 A C -1.329 175.687 177.584 -0.948 0.000 1.075 488 A CA -0.742 50.911 52.037 -0.639 0.000 0.714 488 A CB 1.678 20.211 19.000 -0.779 0.000 1.299 488 A HN 0.662 nan 8.150 nan 0.000 0.407 489 V N 1.872 121.195 119.914 -0.986 0.000 2.525 489 V HA 0.530 4.650 4.120 -0.000 0.000 0.299 489 V C -1.272 174.381 176.094 -0.736 0.000 1.034 489 V CA -0.503 61.340 62.300 -0.762 0.000 0.863 489 V CB 1.438 33.040 31.823 -0.369 0.000 0.999 489 V HN 0.823 nan 8.190 nan 0.000 0.423 490 W N 4.039 125.282 121.300 -0.095 0.000 2.702 490 W HA 0.771 5.431 4.660 -0.000 0.000 0.331 490 W C -0.288 176.182 176.519 -0.082 0.000 1.049 490 W CA -0.710 56.592 57.345 -0.072 0.000 1.230 490 W CB 2.186 31.552 29.460 -0.156 0.000 1.408 490 W HN 0.716 nan 8.180 nan 0.000 0.492 491 Q N 1.292 121.228 119.800 0.226 0.000 2.501 491 Q HA 0.731 5.071 4.340 -0.000 0.000 0.288 491 Q C -2.082 174.113 176.000 0.325 0.000 1.051 491 Q CA -1.078 54.829 55.803 0.173 0.000 0.788 491 Q CB 3.286 32.079 28.738 0.091 0.000 1.469 491 Q HN 0.370 nan 8.270 nan 0.000 0.416 492 Y N 0.252 120.622 120.300 0.116 0.000 2.442 492 Y HA 0.658 5.208 4.550 -0.000 0.000 0.330 492 Y C -1.702 174.254 175.900 0.093 0.000 1.100 492 Y CA -0.189 58.009 58.100 0.163 0.000 1.034 492 Y CB 2.221 40.803 38.460 0.205 0.000 1.285 492 Y HN 1.014 nan 8.280 nan 0.000 0.440 493 T N 2.425 116.654 114.554 -0.541 0.000 2.907 493 T HA 1.007 5.357 4.350 -0.000 0.000 0.292 493 T C -0.810 173.489 174.700 -0.669 0.000 1.043 493 T CA -0.325 61.514 62.100 -0.436 0.000 1.003 493 T CB 1.820 70.569 68.868 -0.197 0.000 1.084 493 T HN 1.412 nan 8.240 nan 0.000 0.483 494 A N 0.924 123.532 122.820 -0.353 0.000 2.597 494 A HA 0.863 5.183 4.320 -0.000 0.000 0.292 494 A C -0.299 177.240 177.584 -0.076 0.000 1.057 494 A CA -0.707 51.197 52.037 -0.222 0.000 0.674 494 A CB 0.553 19.450 19.000 -0.171 0.000 1.278 494 A HN 1.758 nan 8.150 nan 0.000 0.416 495 A N 0.607 123.402 122.820 -0.041 0.000 2.511 495 A HA 0.545 4.865 4.320 -0.000 0.000 0.242 495 A C 0.434 178.017 177.584 -0.002 0.000 1.069 495 A CA 0.774 52.800 52.037 -0.017 0.000 0.763 495 A CB -0.441 18.555 19.000 -0.007 0.000 1.001 495 A HN 1.027 nan 8.150 nan 0.000 0.498 496 T N 2.631 117.178 114.554 -0.012 0.000 2.749 496 T HA 0.450 4.800 4.350 -0.000 0.000 0.287 496 T C 1.390 176.085 174.700 -0.009 0.000 0.970 496 T CA 0.238 62.326 62.100 -0.021 0.000 0.980 496 T CB 1.539 70.367 68.868 -0.066 0.000 0.924 496 T HN 0.859 nan 8.240 nan 0.000 0.456 497 A N 3.349 126.171 122.820 0.004 0.000 1.897 497 A HA 0.074 4.394 4.320 -0.000 0.000 0.215 497 A C 1.599 179.201 177.584 0.031 0.000 1.181 497 A CA 0.864 52.913 52.037 0.021 0.000 0.620 497 A CB -0.559 18.454 19.000 0.023 0.000 0.821 497 A HN 0.761 nan 8.150 nan 0.000 0.443 498 T N -1.351 113.212 114.554 0.016 0.000 2.845 498 T HA 0.529 4.879 4.350 -0.000 0.000 0.288 498 T C -3.020 171.706 174.700 0.043 0.000 0.980 498 T CA -2.341 59.779 62.100 0.033 0.000 1.071 498 T CB 1.209 70.085 68.868 0.013 0.000 0.941 498 T HN -0.019 nan 8.240 nan 0.000 0.487 499 P HA 0.229 nan 4.420 nan 0.000 0.263 499 P C -0.619 176.773 177.300 0.153 0.000 1.195 499 P CA 0.010 63.255 63.100 0.242 0.000 0.762 499 P CB 0.250 32.157 31.700 0.345 0.000 0.799 500 T N 4.473 119.077 114.554 0.083 0.000 2.949 500 T HA 0.434 4.784 4.350 -0.000 0.000 0.300 500 T C 0.159 174.955 174.700 0.161 0.000 0.988 500 T CA -0.416 61.669 62.100 -0.024 0.000 0.993 500 T CB 0.442 69.067 68.868 -0.405 0.000 0.984 500 T HN 0.175 nan 8.240 nan 0.000 0.442 501 I N 2.630 123.357 120.570 0.262 0.000 2.396 501 I HA 0.345 4.515 4.170 -0.000 0.000 0.289 501 I C 1.369 177.682 176.117 0.326 0.000 1.056 501 I CA 0.091 61.563 61.300 0.286 0.000 1.365 501 I CB 1.155 39.254 38.000 0.165 0.000 1.407 501 I HN 0.893 nan 8.210 nan 0.000 0.509 502 G N 5.123 113.940 108.800 0.028 0.000 2.743 502 G HA2 0.045 4.005 3.960 -0.000 0.000 0.206 502 G HA3 0.045 4.005 3.960 -0.000 0.000 0.206 502 G C 0.333 174.942 174.900 -0.485 0.000 1.115 502 G CA 0.279 45.116 45.100 -0.438 0.000 0.782 502 G HN 0.625 nan 8.290 nan 0.000 0.524 503 H N -1.118 117.539 119.070 -0.687 0.000 3.068 503 H HA 0.508 5.064 4.556 -0.000 0.000 0.342 503 H C -2.105 172.802 175.328 -0.701 0.000 1.284 503 H CA -0.266 55.423 56.048 -0.598 0.000 1.181 503 H CB 2.324 31.880 29.762 -0.344 0.000 1.898 503 H HN -0.086 nan 8.280 nan 0.000 0.540 504 V N 1.898 121.100 119.914 -1.187 0.000 2.808 504 V HA 0.714 4.834 4.120 -0.000 0.000 0.308 504 V C -0.032 175.857 176.094 -0.342 0.000 1.099 504 V CA -0.166 61.759 62.300 -0.626 0.000 0.920 504 V CB 1.905 33.356 31.823 -0.620 0.000 1.014 504 V HN 0.952 nan 8.190 nan 0.000 0.425 505 G N 3.912 112.714 108.800 0.002 0.000 2.702 505 G HA2 0.689 4.649 3.960 -0.000 0.000 0.296 505 G HA3 0.689 4.649 3.960 -0.000 0.000 0.296 505 G C -3.453 171.561 174.900 0.191 0.000 1.463 505 G CA -0.915 44.287 45.100 0.171 0.000 0.890 505 G HN 0.496 nan 8.290 nan 0.000 0.534 506 P HA 0.241 nan 4.420 nan 0.000 0.275 506 P C 0.355 177.782 177.300 0.211 0.000 1.266 506 P CA -0.313 62.897 63.100 0.183 0.000 0.793 506 P CB 1.011 32.782 31.700 0.118 0.000 1.074 507 M N -0.901 118.739 119.600 0.067 0.000 2.371 507 M HA 0.283 4.763 4.480 -0.000 0.000 0.246 507 M C 0.557 176.547 176.300 -0.517 0.000 1.103 507 M CA 0.419 55.676 55.300 -0.071 0.000 1.010 507 M CB -0.508 32.107 32.600 0.025 0.000 1.457 507 M HN 0.427 nan 8.290 nan 0.000 0.486 508 M N 0.919 120.290 119.600 -0.381 0.000 2.234 508 M HA 0.604 5.084 4.480 -0.000 0.000 0.267 508 M C -2.089 174.091 176.300 -0.201 0.000 1.022 508 M CA -0.201 54.870 55.300 -0.383 0.000 0.993 508 M CB 1.923 34.392 32.600 -0.218 0.000 1.836 508 M HN 0.036 nan 8.290 nan 0.000 0.479 509 A N 3.880 126.601 122.820 -0.165 0.000 2.586 509 A HA 0.656 4.976 4.320 -0.000 0.000 0.290 509 A C -1.774 175.825 177.584 0.026 0.000 1.086 509 A CA -0.970 51.059 52.037 -0.013 0.000 0.665 509 A CB 1.663 20.710 19.000 0.079 0.000 1.279 509 A HN 0.857 nan 8.150 nan 0.000 0.423 510 K N 0.174 120.587 120.400 0.022 0.000 2.090 510 K HA 0.655 4.975 4.320 -0.000 0.000 0.250 510 K C -2.697 173.907 176.600 0.006 0.000 1.004 510 K CA -1.542 54.753 56.287 0.014 0.000 0.919 510 K CB 0.336 32.837 32.500 0.003 0.000 1.045 510 K HN 0.258 nan 8.250 nan 0.000 0.471 511 P HA -0.014 nan 4.420 nan 0.000 0.267 511 P C 0.506 177.770 177.300 -0.061 0.000 1.200 511 P CA 1.158 64.210 63.100 -0.079 0.000 0.772 511 P CB 0.626 32.273 31.700 -0.089 0.000 0.855 512 G N 0.506 109.255 108.800 -0.085 0.000 2.284 512 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.230 512 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.230 512 G C 0.135 175.013 174.900 -0.036 0.000 1.021 512 G CA -0.072 44.992 45.100 -0.059 0.000 0.619 512 G HN 0.546 nan 8.290 nan 0.000 0.510 513 V N 2.416 122.321 119.914 -0.015 0.000 2.740 513 V HA 0.429 4.549 4.120 -0.000 0.000 0.303 513 V C 1.016 177.122 176.094 0.021 0.000 1.054 513 V CA 0.855 63.162 62.300 0.012 0.000 1.106 513 V CB 1.386 33.236 31.823 0.044 0.000 0.957 513 V HN 0.351 nan 8.190 nan 0.000 0.486 514 T N 6.669 121.234 114.554 0.018 0.000 2.780 514 T HA 0.533 4.883 4.350 -0.000 0.000 0.294 514 T C -0.052 174.681 174.700 0.055 0.000 0.949 514 T CA -0.010 62.103 62.100 0.023 0.000 1.074 514 T CB 0.256 69.126 68.868 0.003 0.000 0.910 514 T HN 0.598 nan 8.240 nan 0.000 0.501 515 I N 0.231 120.841 120.570 0.067 0.000 2.707 515 I HA 0.738 4.908 4.170 -0.000 0.000 0.309 515 I C -0.343 175.785 176.117 0.018 0.000 1.001 515 I CA -0.770 60.579 61.300 0.082 0.000 1.129 515 I CB 2.020 40.095 38.000 0.123 0.000 1.308 515 I HN 0.305 nan 8.210 nan 0.000 0.466 516 T N 5.607 120.172 114.554 0.018 0.000 2.770 516 T HA 0.580 4.930 4.350 -0.000 0.000 0.283 516 T C -0.191 174.468 174.700 -0.068 0.000 0.988 516 T CA -0.185 61.905 62.100 -0.017 0.000 0.957 516 T CB 0.861 69.743 68.868 0.023 0.000 0.930 516 T HN 0.384 nan 8.240 nan 0.000 0.443 517 I N 3.712 124.200 120.570 -0.136 0.000 2.354 517 I HA 0.334 4.504 4.170 -0.000 0.000 0.286 517 I C -0.410 175.676 176.117 -0.052 0.000 1.007 517 I CA -0.753 60.430 61.300 -0.196 0.000 1.167 517 I CB 1.107 38.895 38.000 -0.353 0.000 1.320 517 I HN 0.466 nan 8.210 nan 0.000 0.458 518 D N 4.776 125.148 120.400 -0.047 0.000 2.198 518 D HA 0.771 5.410 4.640 -0.000 0.000 0.247 518 D C 0.310 176.503 176.300 -0.178 0.000 1.010 518 D CA -0.008 53.966 54.000 -0.043 0.000 0.880 518 D CB 2.631 43.364 40.800 -0.111 0.000 1.209 518 D HN 0.756 nan 8.370 nan 0.000 0.451 519 G N 0.599 109.224 108.800 -0.292 0.000 2.498 519 G HA2 0.268 4.228 3.960 -0.000 0.000 0.181 519 G HA3 0.268 4.228 3.960 -0.000 0.000 0.181 519 G C -1.261 173.371 174.900 -0.447 0.000 1.169 519 G CA -0.574 44.326 45.100 -0.333 0.000 0.992 519 G HN 0.314 nan 8.290 nan 0.000 0.490 520 R N -0.957 119.225 120.500 -0.529 0.000 2.739 520 R HA 0.607 4.947 4.340 -0.000 0.000 0.271 520 R C 0.504 176.523 176.300 -0.469 0.000 1.010 520 R CA -0.038 55.814 56.100 -0.413 0.000 0.897 520 R CB 1.210 31.502 30.300 -0.014 0.000 1.236 520 R HN 2.233 nan 8.270 nan 0.000 0.466 521 G N 0.936 109.589 108.800 -0.245 0.000 2.160 521 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.251 521 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.251 521 G C 0.331 175.312 174.900 0.135 0.000 1.008 521 G CA 0.339 45.410 45.100 -0.048 0.000 0.724 521 G HN 0.428 nan 8.290 nan 0.000 0.514 522 F N 0.881 120.858 119.950 0.045 0.000 2.325 522 F HA 0.361 4.888 4.527 -0.000 0.000 0.299 522 F C 2.080 178.111 175.800 0.385 0.000 1.090 522 F CA 1.290 59.346 58.000 0.093 0.000 1.392 522 F CB -0.758 38.064 39.000 -0.296 0.000 1.053 522 F HN 1.187 nan 8.300 nan 0.000 0.521 523 G N -0.341 108.720 108.800 0.435 0.000 2.746 523 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.685 523 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.685 523 G C 0.718 175.890 174.900 0.452 0.000 1.350 523 G CA -0.060 45.260 45.100 0.367 0.000 0.837 523 G HN 0.374 nan 8.290 nan 0.000 0.564 524 S N -1.182 114.680 115.700 0.271 0.000 2.421 524 S HA 0.317 4.787 4.470 -0.000 0.000 0.224 524 S C 1.440 176.156 174.600 0.192 0.000 1.035 524 S CA 1.346 59.690 58.200 0.239 0.000 0.953 524 S CB -0.178 63.096 63.200 0.123 0.000 0.810 524 S HN 2.171 nan 8.310 nan 0.000 0.497 525 S N 1.447 117.159 115.700 0.019 0.000 2.562 525 S HA 0.450 4.920 4.470 -0.000 0.000 0.275 525 S C -0.423 173.764 174.600 -0.689 0.000 1.281 525 S CA -0.951 57.132 58.200 -0.194 0.000 1.045 525 S CB 0.771 63.880 63.200 -0.151 0.000 0.962 525 S HN 0.278 nan 8.310 nan 0.000 0.503 526 K N 1.177 121.149 120.400 -0.715 0.000 2.550 526 K HA 0.185 4.505 4.320 -0.000 0.000 0.280 526 K C 0.907 176.744 176.600 -1.272 0.000 0.987 526 K CA 0.512 56.123 56.287 -1.127 0.000 1.048 526 K CB 0.118 32.341 32.500 -0.461 0.000 0.879 526 K HN 0.838 nan 8.250 nan 0.000 0.491 527 G N 1.524 109.102 108.800 -2.036 0.000 3.310 527 G HA2 0.339 4.299 3.960 -0.000 0.000 0.176 527 G HA3 0.339 4.299 3.960 -0.000 0.000 0.176 527 G C -0.825 173.759 174.900 -0.527 0.000 1.307 527 G CA -0.203 44.255 45.100 -1.069 0.000 0.935 527 G HN 0.518 nan 8.290 nan 0.000 0.628 528 T N -0.399 114.036 114.554 -0.197 0.000 2.912 528 T HA 0.575 4.925 4.350 -0.000 0.000 0.299 528 T C -1.090 173.547 174.700 -0.106 0.000 1.052 528 T CA -0.265 61.727 62.100 -0.180 0.000 0.996 528 T CB 2.184 70.875 68.868 -0.294 0.000 1.070 528 T HN 0.318 nan 8.240 nan 0.000 0.465 529 V N 2.705 122.492 119.914 -0.211 0.000 2.555 529 V HA 0.528 4.648 4.120 -0.000 0.000 0.302 529 V C -1.403 174.499 176.094 -0.320 0.000 1.038 529 V CA -0.902 61.300 62.300 -0.162 0.000 0.887 529 V CB 1.265 33.063 31.823 -0.042 0.000 0.991 529 V HN 0.831 nan 8.190 nan 0.000 0.434 530 Y N 3.407 123.674 120.300 -0.055 0.000 2.335 530 Y HA 0.611 5.161 4.550 -0.000 0.000 0.338 530 Y C -0.469 175.351 175.900 -0.133 0.000 0.977 530 Y CA -0.823 57.275 58.100 -0.002 0.000 1.114 530 Y CB 1.559 40.022 38.460 0.006 0.000 1.182 530 Y HN 0.513 nan 8.280 nan 0.000 0.463 531 F N 2.725 122.719 119.950 0.073 0.000 2.310 531 F HA 0.539 5.066 4.527 -0.000 0.000 0.365 531 F C 0.942 176.888 175.800 0.243 0.000 1.080 531 F CA -0.310 57.699 58.000 0.015 0.000 1.187 531 F CB 0.698 39.549 39.000 -0.248 0.000 1.465 531 F HN 0.818 nan 8.300 nan 0.000 0.496 532 G N 1.983 111.035 108.800 0.421 0.000 2.536 532 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.280 532 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.280 532 G C 1.173 176.238 174.900 0.275 0.000 1.152 532 G CA 0.401 45.728 45.100 0.377 0.000 0.970 532 G HN 0.674 nan 8.290 nan 0.000 0.549 533 T N -1.780 112.925 114.554 0.252 0.000 3.067 533 T HA 0.312 4.662 4.350 -0.000 0.000 0.257 533 T C 1.298 176.160 174.700 0.270 0.000 1.105 533 T CA 1.706 63.932 62.100 0.211 0.000 1.104 533 T CB -0.212 68.742 68.868 0.142 0.000 0.925 533 T HN 0.873 nan 8.240 nan 0.000 0.498 534 T N 3.336 118.047 114.554 0.262 0.000 2.867 534 T HA 0.522 4.872 4.350 -0.000 0.000 0.297 534 T C 0.216 175.023 174.700 0.178 0.000 0.989 534 T CA -0.174 62.039 62.100 0.188 0.000 1.159 534 T CB 0.409 69.352 68.868 0.125 0.000 0.928 534 T HN 0.566 nan 8.240 nan 0.000 0.538 535 A N 3.811 126.674 122.820 0.071 0.000 2.301 535 A HA 0.669 4.989 4.320 -0.000 0.000 0.312 535 A C -0.325 177.175 177.584 -0.141 0.000 1.182 535 A CA -0.615 51.327 52.037 -0.158 0.000 0.826 535 A CB 0.733 19.643 19.000 -0.150 0.000 1.134 535 A HN 0.673 nan 8.150 nan 0.000 0.501 536 V N 2.508 122.306 119.914 -0.194 0.000 2.531 536 V HA 0.729 4.849 4.120 -0.000 0.000 0.301 536 V C 0.095 176.110 176.094 -0.132 0.000 1.034 536 V CA 0.116 62.349 62.300 -0.110 0.000 0.865 536 V CB 1.438 33.246 31.823 -0.024 0.000 0.995 536 V HN 1.296 nan 8.190 nan 0.000 0.424 537 S N 2.674 118.310 115.700 -0.106 0.000 2.688 537 S HA 0.969 5.439 4.470 -0.000 0.000 0.275 537 S C 0.141 174.691 174.600 -0.083 0.000 1.175 537 S CA 0.117 58.252 58.200 -0.109 0.000 0.818 537 S CB 1.544 64.660 63.200 -0.140 0.000 1.157 537 S HN 2.198 nan 8.310 nan 0.000 0.482 538 G N 1.284 110.029 108.800 -0.091 0.000 2.528 538 G HA2 0.070 4.030 3.960 -0.000 0.000 0.262 538 G HA3 0.070 4.030 3.960 -0.000 0.000 0.262 538 G C 1.106 175.978 174.900 -0.047 0.000 1.200 538 G CA 1.069 46.127 45.100 -0.071 0.000 0.951 538 G HN 1.979 nan 8.290 nan 0.000 0.566 539 A N -0.955 121.841 122.820 -0.040 0.000 1.903 539 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 539 A C 1.979 179.548 177.584 -0.024 0.000 1.191 539 A CA 2.900 54.920 52.037 -0.029 0.000 0.638 539 A CB -0.761 18.222 19.000 -0.029 0.000 0.823 539 A HN 0.784 nan 8.150 nan 0.000 0.451 540 D N -0.586 119.795 120.400 -0.032 0.000 2.351 540 D HA -0.004 4.636 4.640 -0.000 0.000 0.216 540 D C 0.385 176.678 176.300 -0.010 0.000 0.968 540 D CA 0.535 54.516 54.000 -0.033 0.000 0.899 540 D CB -0.221 40.546 40.800 -0.056 0.000 0.907 540 D HN 0.486 nan 8.370 nan 0.000 0.514 541 I N 1.200 121.775 120.570 0.008 0.000 2.256 541 I HA 0.010 4.180 4.170 -0.000 0.000 0.294 541 I C 1.231 177.378 176.117 0.050 0.000 1.127 541 I CA -0.123 61.208 61.300 0.053 0.000 1.247 541 I CB 1.040 39.100 38.000 0.100 0.000 1.460 541 I HN -0.159 nan 8.210 nan 0.000 0.511 542 T N 2.756 117.330 114.554 0.035 0.000 2.720 542 T HA -0.110 4.240 4.350 -0.000 0.000 0.268 542 T C 0.782 175.509 174.700 0.046 0.000 1.037 542 T CA 1.381 63.496 62.100 0.025 0.000 1.144 542 T CB -0.103 68.771 68.868 0.010 0.000 0.864 542 T HN 0.718 nan 8.240 nan 0.000 0.444 543 S N -0.851 114.894 115.700 0.074 0.000 2.547 543 S HA 0.543 5.013 4.470 -0.000 0.000 0.270 543 S C -2.253 172.460 174.600 0.190 0.000 1.150 543 S CA -1.147 57.116 58.200 0.106 0.000 0.850 543 S CB 2.213 65.448 63.200 0.059 0.000 1.118 543 S HN 0.413 nan 8.310 nan 0.000 0.461 544 W N 3.278 124.571 121.300 -0.012 0.000 3.132 544 W HA 0.533 5.193 4.660 -0.000 0.000 0.337 544 W C -1.490 175.050 176.519 0.035 0.000 1.082 544 W CA -0.436 56.908 57.345 -0.001 0.000 1.242 544 W CB 1.627 31.071 29.460 -0.027 0.000 1.354 544 W HN 1.162 nan 8.180 nan 0.000 0.461 545 E N 1.632 121.898 120.200 0.111 0.000 2.458 545 E HA 0.233 4.583 4.350 -0.000 0.000 0.278 545 E C -0.283 176.374 176.600 0.095 0.000 1.004 545 E CA -0.590 55.917 56.400 0.178 0.000 0.823 545 E CB 1.852 31.615 29.700 0.104 0.000 1.396 545 E HN 0.197 nan 8.360 nan 0.000 0.463 546 D N -0.010 120.465 120.400 0.126 0.000 2.172 546 D HA -0.215 4.425 4.640 -0.000 0.000 0.196 546 D C 1.661 177.877 176.300 -0.141 0.000 0.999 546 D CA 2.937 56.976 54.000 0.064 0.000 0.856 546 D CB 0.179 40.998 40.800 0.031 0.000 0.934 546 D HN 0.588 nan 8.370 nan 0.000 0.453 547 T N -3.756 110.735 114.554 -0.106 0.000 3.001 547 T HA 0.124 4.474 4.350 -0.000 0.000 0.251 547 T C 0.520 175.191 174.700 -0.048 0.000 1.040 547 T CA -0.468 61.509 62.100 -0.205 0.000 0.985 547 T CB 0.403 69.204 68.868 -0.112 0.000 1.011 547 T HN 0.152 nan 8.240 nan 0.000 0.509 548 Q N 0.078 119.920 119.800 0.070 0.000 2.340 548 Q HA 0.667 5.007 4.340 -0.000 0.000 0.276 548 Q C -2.133 173.809 176.000 -0.097 0.000 1.048 548 Q CA -0.942 54.887 55.803 0.043 0.000 0.832 548 Q CB 2.067 30.796 28.738 -0.015 0.000 1.373 548 Q HN 0.454 nan 8.270 nan 0.000 0.409 549 I N 2.784 123.229 120.570 -0.207 0.000 2.545 549 I HA 0.454 4.624 4.170 -0.000 0.000 0.292 549 I C -0.819 175.204 176.117 -0.157 0.000 1.040 549 I CA -0.842 60.264 61.300 -0.323 0.000 1.068 549 I CB 2.013 39.599 38.000 -0.690 0.000 1.251 549 I HN 0.330 nan 8.210 nan 0.000 0.424 550 K N 5.611 125.971 120.400 -0.068 0.000 2.394 550 K HA 0.681 5.001 4.320 -0.000 0.000 0.260 550 K C -1.323 175.275 176.600 -0.002 0.000 0.967 550 K CA -0.583 55.687 56.287 -0.029 0.000 0.855 550 K CB 2.622 35.116 32.500 -0.010 0.000 1.101 550 K HN 0.402 nan 8.250 nan 0.000 0.433 551 V N 2.575 122.489 119.914 -0.001 0.000 2.971 551 V HA 0.390 4.510 4.120 -0.000 0.000 0.309 551 V C -1.264 174.842 176.094 0.019 0.000 1.130 551 V CA -0.959 61.355 62.300 0.023 0.000 0.964 551 V CB 2.153 34.007 31.823 0.052 0.000 1.029 551 V HN 0.655 nan 8.190 nan 0.000 0.427 552 K N 5.638 126.028 120.400 -0.017 0.000 2.249 552 K HA 0.530 4.850 4.320 -0.000 0.000 0.280 552 K C -0.415 176.083 176.600 -0.169 0.000 1.033 552 K CA -0.284 55.967 56.287 -0.061 0.000 0.946 552 K CB 1.273 33.732 32.500 -0.069 0.000 1.005 552 K HN 0.609 nan 8.250 nan 0.000 0.469 553 I N 5.933 126.369 120.570 -0.223 0.000 2.598 553 I HA 0.014 4.184 4.170 -0.000 0.000 0.284 553 I C -1.612 174.192 176.117 -0.522 0.000 1.140 553 I CA -1.668 59.294 61.300 -0.563 0.000 1.420 553 I CB 0.130 37.967 38.000 -0.271 0.000 1.387 553 I HN 0.395 nan 8.210 nan 0.000 0.553 554 P HA 0.039 nan 4.420 nan 0.000 0.272 554 P C -0.612 176.497 177.300 -0.320 0.000 1.230 554 P CA -0.515 62.326 63.100 -0.431 0.000 0.788 554 P CB 0.730 32.168 31.700 -0.436 0.000 0.949 555 A N 2.103 124.810 122.820 -0.189 0.000 3.037 555 A HA 0.383 4.703 4.320 -0.000 0.000 0.272 555 A C 0.662 178.190 177.584 -0.093 0.000 1.723 555 A CA -0.362 51.602 52.037 -0.121 0.000 1.413 555 A CB -1.492 17.463 19.000 -0.076 0.000 1.112 555 A HN 0.404 nan 8.150 nan 0.000 0.606 556 V N -1.422 118.419 119.914 -0.121 0.000 2.975 556 V HA 0.880 5.000 4.120 -0.000 0.000 0.318 556 V C 0.659 176.780 176.094 0.046 0.000 1.077 556 V CA -0.838 61.439 62.300 -0.039 0.000 1.000 556 V CB 0.886 32.644 31.823 -0.109 0.000 1.066 556 V HN 0.988 nan 8.190 nan 0.000 0.452 557 A N 1.626 124.528 122.820 0.137 0.000 2.520 557 A HA 0.522 4.842 4.320 -0.000 0.000 0.235 557 A C 1.009 178.721 177.584 0.214 0.000 1.065 557 A CA 0.443 52.569 52.037 0.148 0.000 0.764 557 A CB -0.637 18.450 19.000 0.145 0.000 1.002 557 A HN 2.087 nan 8.150 nan 0.000 0.502 558 G N -0.002 108.886 108.800 0.147 0.000 2.414 558 G HA2 0.569 4.529 3.960 -0.000 0.000 0.236 558 G HA3 0.569 4.529 3.960 -0.000 0.000 0.236 558 G C 0.450 175.475 174.900 0.210 0.000 1.293 558 G CA 0.601 45.797 45.100 0.160 0.000 0.869 558 G HN 1.958 nan 8.290 nan 0.000 0.556 559 G N 0.519 109.481 108.800 0.270 0.000 2.327 559 G HA2 0.279 4.239 3.960 -0.000 0.000 0.291 559 G HA3 0.279 4.239 3.960 -0.000 0.000 0.291 559 G C -1.375 173.660 174.900 0.226 0.000 1.290 559 G CA -0.916 44.285 45.100 0.169 0.000 0.857 559 G HN 0.806 nan 8.290 nan 0.000 0.520 560 N N -0.499 118.212 118.700 0.017 0.000 2.424 560 N HA 0.706 5.446 4.740 -0.000 0.000 0.271 560 N C -1.389 174.104 175.510 -0.029 0.000 0.985 560 N CA -0.312 52.791 53.050 0.089 0.000 0.921 560 N CB 0.799 39.302 38.487 0.027 0.000 1.149 560 N HN 0.434 nan 8.380 nan 0.000 0.492 561 Y N 0.883 121.317 120.300 0.224 0.000 2.524 561 Y HA 0.449 4.999 4.550 -0.000 0.000 0.344 561 Y C -0.055 175.950 175.900 0.175 0.000 1.012 561 Y CA -1.085 57.145 58.100 0.216 0.000 1.068 561 Y CB 1.309 39.953 38.460 0.307 0.000 1.249 561 Y HN 0.426 nan 8.280 nan 0.000 0.468 562 N N 1.920 120.772 118.700 0.253 0.000 2.455 562 N HA 0.304 5.044 4.740 -0.000 0.000 0.280 562 N C -0.977 174.581 175.510 0.080 0.000 1.055 562 N CA -0.287 52.850 53.050 0.145 0.000 0.961 562 N CB 0.952 39.490 38.487 0.085 0.000 1.121 562 N HN 0.379 nan 8.380 nan 0.000 0.476 563 I N 1.460 122.033 120.570 0.005 0.000 2.428 563 I HA 0.374 4.544 4.170 -0.000 0.000 0.296 563 I C 0.546 176.618 176.117 -0.074 0.000 0.985 563 I CA -0.308 60.873 61.300 -0.198 0.000 1.260 563 I CB 0.675 38.474 38.000 -0.335 0.000 1.389 563 I HN 0.443 nan 8.210 nan 0.000 0.484 564 K N 4.767 125.123 120.400 -0.074 0.000 2.555 564 K HA 0.756 5.076 4.320 -0.000 0.000 0.279 564 K C -1.752 174.908 176.600 0.100 0.000 0.986 564 K CA -0.583 55.719 56.287 0.025 0.000 0.880 564 K CB 2.694 35.211 32.500 0.028 0.000 1.474 564 K HN 0.379 nan 8.250 nan 0.000 0.433 565 V N -1.619 118.362 119.914 0.111 0.000 3.130 565 V HA 0.989 5.109 4.120 -0.000 0.000 0.310 565 V C -1.630 174.621 176.094 0.261 0.000 1.158 565 V CA -0.585 61.808 62.300 0.155 0.000 1.029 565 V CB 1.635 33.372 31.823 -0.144 0.000 1.057 565 V HN 0.950 nan 8.190 nan 0.000 0.436 566 A N 2.383 125.409 122.820 0.344 0.000 2.422 566 A HA 0.833 5.152 4.320 -0.000 0.000 0.302 566 A C -0.305 177.448 177.584 0.282 0.000 1.041 566 A CA -0.532 51.680 52.037 0.291 0.000 0.708 566 A CB 1.267 20.455 19.000 0.314 0.000 1.257 566 A HN 1.525 nan 8.150 nan 0.000 0.414 567 N N 1.435 120.288 118.700 0.255 0.000 2.263 567 N HA 0.322 5.062 4.740 -0.000 0.000 0.239 567 N C 1.155 176.667 175.510 0.003 0.000 1.317 567 N CA 0.226 53.409 53.050 0.223 0.000 0.909 567 N CB 0.287 38.919 38.487 0.242 0.000 1.171 567 N HN 0.724 nan 8.380 nan 0.000 0.492 568 A N -0.820 121.941 122.820 -0.098 0.000 2.024 568 A HA 0.001 4.321 4.320 -0.000 0.000 0.220 568 A C 2.012 179.559 177.584 -0.062 0.000 1.164 568 A CA 1.924 53.870 52.037 -0.151 0.000 0.643 568 A CB -1.321 17.578 19.000 -0.169 0.000 0.806 568 A HN 0.883 nan 8.150 nan 0.000 0.451 569 A N -2.271 120.544 122.820 -0.009 0.000 2.208 569 A HA 0.418 4.738 4.320 -0.000 0.000 0.209 569 A C 1.795 179.392 177.584 0.020 0.000 1.161 569 A CA 1.237 53.278 52.037 0.007 0.000 0.782 569 A CB -0.601 18.411 19.000 0.021 0.000 0.816 569 A HN 1.814 nan 8.150 nan 0.000 0.477 570 G N -1.777 107.044 108.800 0.035 0.000 2.179 570 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.220 570 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.220 570 G C 0.312 175.255 174.900 0.071 0.000 0.990 570 G CA 0.191 45.325 45.100 0.057 0.000 0.646 570 G HN 0.561 nan 8.290 nan 0.000 0.517 571 T N 2.084 116.683 114.554 0.075 0.000 2.769 571 T HA 0.582 4.932 4.350 -0.000 0.000 0.293 571 T C 0.806 175.565 174.700 0.097 0.000 0.931 571 T CA 0.638 62.782 62.100 0.074 0.000 1.139 571 T CB 1.390 70.301 68.868 0.071 0.000 0.881 571 T HN 1.246 nan 8.240 nan 0.000 0.532 572 A N 3.847 126.706 122.820 0.065 0.000 2.351 572 A HA 0.637 4.957 4.320 -0.000 0.000 0.257 572 A C 0.864 178.487 177.584 0.065 0.000 1.087 572 A CA -0.693 51.379 52.037 0.058 0.000 0.798 572 A CB 0.311 19.297 19.000 -0.024 0.000 1.033 572 A HN 0.864 nan 8.150 nan 0.000 0.488 573 S N 1.398 117.144 115.700 0.078 0.000 2.745 573 S HA 0.452 4.922 4.470 -0.000 0.000 0.292 573 S C 0.258 174.887 174.600 0.048 0.000 1.127 573 S CA -0.562 57.688 58.200 0.082 0.000 1.007 573 S CB 0.409 63.689 63.200 0.133 0.000 1.165 573 S HN 0.944 nan 8.310 nan 0.000 0.544 574 N N -0.160 118.571 118.700 0.053 0.000 2.288 574 N HA 0.155 4.895 4.740 -0.000 0.000 0.237 574 N C -0.664 174.885 175.510 0.065 0.000 1.311 574 N CA -0.421 52.657 53.050 0.046 0.000 0.909 574 N CB -0.098 38.419 38.487 0.051 0.000 1.167 574 N HN 0.445 nan 8.380 nan 0.000 0.476 575 V N 0.472 120.420 119.914 0.058 0.000 2.427 575 V HA 0.164 4.284 4.120 -0.000 0.000 0.286 575 V C -0.999 175.160 176.094 0.107 0.000 1.034 575 V CA -0.700 61.639 62.300 0.065 0.000 0.893 575 V CB 0.432 32.272 31.823 0.029 0.000 0.982 575 V HN 0.620 nan 8.190 nan 0.000 0.452 576 Y N 5.486 125.782 120.300 -0.007 0.000 2.417 576 Y HA 0.365 4.915 4.550 -0.000 0.000 0.336 576 Y C 0.510 176.421 175.900 0.018 0.000 0.961 576 Y CA -1.016 57.085 58.100 0.001 0.000 1.215 576 Y CB 0.554 38.997 38.460 -0.028 0.000 1.120 576 Y HN 0.857 nan 8.280 nan 0.000 0.499 577 D N 2.377 122.741 120.400 -0.059 0.000 2.478 577 D HA 0.087 4.727 4.640 -0.000 0.000 0.269 577 D C 0.163 176.497 176.300 0.056 0.000 1.232 577 D CA -0.327 53.684 54.000 0.020 0.000 1.059 577 D CB 0.566 41.355 40.800 -0.018 0.000 1.104 577 D HN 0.751 nan 8.370 nan 0.000 0.566 578 N N -2.412 116.343 118.700 0.092 0.000 2.850 578 N HA -0.225 4.515 4.740 -0.000 0.000 0.249 578 N C -1.040 174.568 175.510 0.162 0.000 1.060 578 N CA -0.182 52.923 53.050 0.092 0.000 0.825 578 N CB -1.186 37.317 38.487 0.026 0.000 1.132 578 N HN 0.390 nan 8.380 nan 0.000 0.564 579 F N 2.597 122.627 119.950 0.134 0.000 2.472 579 F HA 0.238 4.765 4.527 -0.000 0.000 0.364 579 F C 0.582 176.508 175.800 0.210 0.000 1.090 579 F CA 0.050 58.150 58.000 0.168 0.000 1.188 579 F CB 0.701 39.804 39.000 0.173 0.000 1.105 579 F HN 0.015 nan 8.300 nan 0.000 0.536 580 E N 5.906 125.835 120.200 -0.452 0.000 2.081 580 E HA 0.333 4.683 4.350 -0.000 0.000 0.276 580 E C -1.385 175.067 176.600 -0.247 0.000 0.950 580 E CA -0.668 55.615 56.400 -0.195 0.000 0.776 580 E CB 1.127 30.736 29.700 -0.152 0.000 1.094 580 E HN 0.480 nan 8.360 nan 0.000 0.402 581 V N 6.648 126.653 119.914 0.151 0.000 2.432 581 V HA 0.174 4.294 4.120 -0.000 0.000 0.271 581 V C 0.558 176.706 176.094 0.091 0.000 1.046 581 V CA -0.377 62.023 62.300 0.166 0.000 0.945 581 V CB 0.720 32.660 31.823 0.196 0.000 0.992 581 V HN 0.684 nan 8.190 nan 0.000 0.471 582 L N 3.580 124.821 121.223 0.030 0.000 2.466 582 L HA 0.243 4.583 4.340 -0.000 0.000 0.257 582 L C 1.447 178.337 176.870 0.033 0.000 1.189 582 L CA -0.039 54.812 54.840 0.019 0.000 0.813 582 L CB 0.715 42.770 42.059 -0.006 0.000 1.118 582 L HN 0.617 nan 8.230 nan 0.000 0.471 583 S N 0.020 115.737 115.700 0.028 0.000 2.603 583 S HA 0.288 4.758 4.470 -0.000 0.000 0.220 583 S C 0.466 175.074 174.600 0.015 0.000 0.967 583 S CA 0.464 58.680 58.200 0.027 0.000 0.920 583 S CB 0.044 63.259 63.200 0.025 0.000 0.773 583 S HN 0.937 nan 8.310 nan 0.000 0.529 584 G N 0.747 109.553 108.800 0.010 0.000 2.350 584 G HA2 0.084 4.044 3.960 -0.000 0.000 0.282 584 G HA3 0.084 4.044 3.960 -0.000 0.000 0.282 584 G C -2.192 172.710 174.900 0.003 0.000 1.314 584 G CA -1.061 44.042 45.100 0.005 0.000 0.915 584 G HN 0.071 nan 8.290 nan 0.000 0.499 585 D N 0.930 121.331 120.400 0.002 0.000 2.419 585 D HA 0.288 4.928 4.640 -0.000 0.000 0.236 585 D C 0.265 176.567 176.300 0.004 0.000 1.165 585 D CA 0.600 54.599 54.000 -0.002 0.000 0.882 585 D CB 0.629 41.429 40.800 0.000 0.000 1.201 585 D HN 0.324 nan 8.370 nan 0.000 0.443 586 Q N 0.289 120.087 119.800 -0.004 0.000 2.301 586 Q HA 0.575 4.915 4.340 -0.000 0.000 0.267 586 Q C -0.273 175.744 176.000 0.028 0.000 1.035 586 Q CA -0.971 54.839 55.803 0.011 0.000 0.856 586 Q CB 2.270 31.003 28.738 -0.008 0.000 1.337 586 Q HN 0.321 nan 8.270 nan 0.000 0.450 587 V N -2.127 117.827 119.914 0.066 0.000 2.876 587 V HA 0.639 4.759 4.120 -0.000 0.000 0.312 587 V C -0.277 175.904 176.094 0.145 0.000 1.085 587 V CA -0.976 61.385 62.300 0.101 0.000 0.945 587 V CB 1.989 33.878 31.823 0.110 0.000 1.017 587 V HN 0.678 nan 8.190 nan 0.000 0.428 588 S N 1.885 117.702 115.700 0.195 0.000 2.430 588 S HA 0.680 5.149 4.470 -0.000 0.000 0.289 588 S C -0.536 174.204 174.600 0.234 0.000 1.143 588 S CA -0.309 58.048 58.200 0.262 0.000 1.067 588 S CB 0.452 63.927 63.200 0.458 0.000 0.964 588 S HN 0.782 nan 8.310 nan 0.000 0.485 589 V N 6.351 126.394 119.914 0.214 0.000 2.495 589 V HA 0.508 4.628 4.120 -0.000 0.000 0.298 589 V C 0.210 176.352 176.094 0.080 0.000 1.031 589 V CA -0.979 61.371 62.300 0.084 0.000 0.871 589 V CB 1.754 33.559 31.823 -0.029 0.000 0.988 589 V HN 0.829 nan 8.190 nan 0.000 0.432 590 R N 3.614 124.107 120.500 -0.012 0.000 2.221 590 R HA 0.466 4.806 4.340 -0.000 0.000 0.327 590 R C -1.532 174.696 176.300 -0.120 0.000 1.033 590 R CA -0.264 55.878 56.100 0.070 0.000 0.887 590 R CB 0.466 30.835 30.300 0.115 0.000 1.057 590 R HN 0.505 nan 8.270 nan 0.000 0.455 591 F N 4.167 124.126 119.950 0.015 0.000 2.415 591 F HA 0.357 4.884 4.527 -0.000 0.000 0.348 591 F C -0.267 175.553 175.800 0.033 0.000 1.119 591 F CA -0.584 57.409 58.000 -0.012 0.000 1.069 591 F CB 1.938 40.955 39.000 0.028 0.000 1.124 591 F HN 0.123 nan 8.300 nan 0.000 0.472 592 V N 4.754 124.707 119.914 0.065 0.000 2.487 592 V HA 0.491 4.611 4.120 -0.000 0.000 0.298 592 V C -0.890 175.105 176.094 -0.166 0.000 1.028 592 V CA -0.912 61.300 62.300 -0.148 0.000 0.860 592 V CB 1.966 33.524 31.823 -0.442 0.000 0.991 592 V HN 0.488 nan 8.190 nan 0.000 0.427 593 V N 5.858 125.586 119.914 -0.309 0.000 2.409 593 V HA 0.563 4.683 4.120 -0.000 0.000 0.291 593 V C -0.347 175.666 176.094 -0.134 0.000 1.020 593 V CA -0.495 61.551 62.300 -0.424 0.000 0.848 593 V CB 1.756 32.874 31.823 -1.174 0.000 0.990 593 V HN 0.930 nan 8.190 nan 0.000 0.430 594 N N 5.151 123.828 118.700 -0.037 0.000 2.508 594 N HA 0.335 5.075 4.740 -0.000 0.000 0.285 594 N C -0.106 175.446 175.510 0.070 0.000 1.144 594 N CA -0.215 52.850 53.050 0.025 0.000 0.978 594 N CB 0.702 39.210 38.487 0.035 0.000 1.180 594 N HN 0.764 nan 8.380 nan 0.000 0.484 595 N N -0.548 118.168 118.700 0.026 0.000 2.688 595 N HA -0.194 4.546 4.740 -0.000 0.000 0.258 595 N C -0.955 174.532 175.510 -0.040 0.000 1.016 595 N CA 0.487 53.532 53.050 -0.009 0.000 0.747 595 N CB -1.228 37.284 38.487 0.042 0.000 0.895 595 N HN 0.634 nan 8.380 nan 0.000 0.543 596 A N 0.302 123.060 122.820 -0.103 0.000 2.937 596 A HA 0.440 4.760 4.320 -0.000 0.000 0.338 596 A C 0.883 178.288 177.584 -0.297 0.000 1.273 596 A CA -0.261 51.550 52.037 -0.377 0.000 0.937 596 A CB 0.110 18.846 19.000 -0.439 0.000 1.133 596 A HN 0.344 nan 8.150 nan 0.000 0.491 597 T N 0.213 114.582 114.554 -0.309 0.000 2.918 597 T HA 0.555 4.905 4.350 -0.000 0.000 0.302 597 T C 0.397 175.094 174.700 -0.005 0.000 1.045 597 T CA 0.428 62.470 62.100 -0.097 0.000 1.114 597 T CB 0.904 69.745 68.868 -0.045 0.000 0.965 597 T HN 1.026 nan 8.240 nan 0.000 0.540 598 T N -1.426 113.310 114.554 0.302 0.000 2.812 598 T HA 0.759 5.109 4.350 -0.000 0.000 0.294 598 T C -0.559 174.235 174.700 0.155 0.000 1.159 598 T CA -0.845 61.357 62.100 0.170 0.000 1.008 598 T CB 1.336 70.347 68.868 0.238 0.000 1.289 598 T HN 1.108 nan 8.240 nan 0.000 0.514 599 A N 0.973 123.841 122.820 0.080 0.000 2.312 599 A HA 0.714 5.034 4.320 -0.000 0.000 0.328 599 A C -0.236 177.375 177.584 0.045 0.000 1.158 599 A CA -0.831 51.236 52.037 0.050 0.000 0.821 599 A CB 0.061 19.081 19.000 0.033 0.000 1.170 599 A HN 0.801 nan 8.150 nan 0.000 0.490 600 L N 1.795 123.026 121.223 0.013 0.000 2.601 600 L HA 0.308 4.648 4.340 -0.000 0.000 0.277 600 L C 1.549 178.437 176.870 0.029 0.000 1.219 600 L CA 2.394 57.237 54.840 0.005 0.000 0.915 600 L CB -0.334 41.716 42.059 -0.016 0.000 1.160 600 L HN 1.312 nan 8.230 nan 0.000 0.494 601 G N 1.768 110.597 108.800 0.049 0.000 2.254 601 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.225 601 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.225 601 G C 0.204 175.153 174.900 0.082 0.000 1.003 601 G CA 0.157 45.292 45.100 0.060 0.000 0.622 601 G HN 0.714 nan 8.290 nan 0.000 0.507 602 Q N 0.963 120.815 119.800 0.086 0.000 2.271 602 Q HA 0.636 4.976 4.340 -0.000 0.000 0.258 602 Q C -0.733 175.338 176.000 0.118 0.000 0.936 602 Q CA -0.765 55.087 55.803 0.081 0.000 0.909 602 Q CB 0.776 29.536 28.738 0.036 0.000 1.253 602 Q HN 0.353 nan 8.270 nan 0.000 0.440 603 N N 2.062 120.826 118.700 0.108 0.000 2.312 603 N HA 0.394 5.134 4.740 -0.000 0.000 0.296 603 N C -1.187 174.199 175.510 -0.207 0.000 1.193 603 N CA -0.538 52.520 53.050 0.013 0.000 0.773 603 N CB 2.239 40.812 38.487 0.143 0.000 1.435 603 N HN 0.396 nan 8.380 nan 0.000 0.484 604 V N 1.942 121.372 119.914 -0.807 0.000 2.546 604 V HA 0.349 4.469 4.120 -0.000 0.000 0.284 604 V C -0.789 175.120 176.094 -0.308 0.000 1.050 604 V CA -0.062 61.861 62.300 -0.628 0.000 0.981 604 V CB -0.005 31.084 31.823 -1.224 0.000 0.990 604 V HN 0.519 nan 8.190 nan 0.000 0.474 605 Y N 3.344 123.542 120.300 -0.171 0.000 2.633 605 Y HA 0.737 5.287 4.550 -0.000 0.000 0.339 605 Y C -0.306 175.582 175.900 -0.020 0.000 1.045 605 Y CA -1.164 56.853 58.100 -0.138 0.000 1.098 605 Y CB 1.900 40.255 38.460 -0.174 0.000 1.296 605 Y HN 0.529 nan 8.280 nan 0.000 0.494 606 L N 0.970 122.212 121.223 0.033 0.000 2.341 606 L HA 0.800 5.140 4.340 -0.000 0.000 0.278 606 L C -0.557 176.189 176.870 -0.207 0.000 1.005 606 L CA 0.016 54.765 54.840 -0.153 0.000 0.818 606 L CB 1.856 43.714 42.059 -0.335 0.000 1.259 606 L HN 0.656 nan 8.230 nan 0.000 0.418 607 T N 2.861 117.277 114.554 -0.229 0.000 2.906 607 T HA 0.938 5.288 4.350 -0.000 0.000 0.295 607 T C -0.531 173.938 174.700 -0.385 0.000 1.061 607 T CA 0.058 62.033 62.100 -0.208 0.000 1.000 607 T CB 1.431 70.272 68.868 -0.045 0.000 1.103 607 T HN 1.053 nan 8.240 nan 0.000 0.486 608 G N 0.426 108.799 108.800 -0.710 0.000 2.606 608 G HA2 0.443 4.403 3.960 -0.000 0.000 0.300 608 G HA3 0.443 4.403 3.960 -0.000 0.000 0.300 608 G C 0.387 174.423 174.900 -1.440 0.000 1.360 608 G CA 0.027 44.467 45.100 -1.100 0.000 0.783 608 G HN 0.957 nan 8.290 nan 0.000 0.484 609 S N -1.422 113.735 115.700 -0.905 0.000 2.701 609 S HA 0.313 4.783 4.470 -0.000 0.000 0.220 609 S C 0.778 175.271 174.600 -0.179 0.000 0.954 609 S CA 0.597 58.543 58.200 -0.423 0.000 0.936 609 S CB -0.839 62.418 63.200 0.095 0.000 0.777 609 S HN 1.704 nan 8.310 nan 0.000 0.518 610 V N -1.898 117.894 119.914 -0.204 0.000 3.040 610 V HA 0.659 4.778 4.120 -0.000 0.000 0.312 610 V C 1.117 177.161 176.094 -0.083 0.000 1.115 610 V CA -0.416 61.834 62.300 -0.084 0.000 0.998 610 V CB 1.209 33.010 31.823 -0.037 0.000 1.042 610 V HN 0.186 nan 8.190 nan 0.000 0.433 611 S N 0.348 116.033 115.700 -0.025 0.000 2.400 611 S HA -0.206 4.264 4.470 -0.000 0.000 0.232 611 S C 1.327 175.914 174.600 -0.022 0.000 1.025 611 S CA 1.744 59.937 58.200 -0.011 0.000 0.993 611 S CB -0.647 62.572 63.200 0.032 0.000 0.808 611 S HN 0.911 nan 8.310 nan 0.000 0.478 612 E N 0.618 120.807 120.200 -0.019 0.000 2.265 612 E HA 0.079 4.429 4.350 -0.000 0.000 0.196 612 E C 1.130 177.702 176.600 -0.047 0.000 0.996 612 E CA 0.503 56.895 56.400 -0.013 0.000 0.832 612 E CB -0.169 29.539 29.700 0.012 0.000 0.756 612 E HN 0.338 nan 8.360 nan 0.000 0.491 613 L N -1.327 119.837 121.223 -0.099 0.000 2.728 613 L HA 0.340 4.680 4.340 -0.000 0.000 0.238 613 L C 1.214 177.986 176.870 -0.164 0.000 1.143 613 L CA 0.764 55.500 54.840 -0.173 0.000 0.937 613 L CB 0.358 42.258 42.059 -0.265 0.000 1.225 613 L HN 0.202 nan 8.230 nan 0.000 0.507 614 G N -0.211 108.529 108.800 -0.100 0.000 2.176 614 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.253 614 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.253 614 G C 0.637 175.511 174.900 -0.043 0.000 0.979 614 G CA 0.133 45.198 45.100 -0.057 0.000 0.641 614 G HN 0.257 nan 8.290 nan 0.000 0.530 615 N N -1.131 117.499 118.700 -0.117 0.000 2.725 615 N HA -0.227 4.513 4.740 -0.000 0.000 0.251 615 N C 0.943 176.522 175.510 0.115 0.000 1.031 615 N CA 1.915 54.916 53.050 -0.082 0.000 0.720 615 N CB -1.686 36.818 38.487 0.029 0.000 0.930 615 N HN 1.280 nan 8.380 nan 0.000 0.543 616 W N -3.161 118.207 121.300 0.115 0.000 2.323 616 W HA -0.269 4.391 4.660 -0.000 0.000 0.261 616 W C 0.396 177.052 176.519 0.229 0.000 1.029 616 W CA 0.405 57.879 57.345 0.214 0.000 0.499 616 W CB -1.311 28.262 29.460 0.188 0.000 2.045 616 W HN 0.278 nan 8.180 nan 0.000 1.374 617 D N 0.652 121.220 120.400 0.281 0.000 2.339 617 D HA 0.168 4.808 4.640 -0.000 0.000 0.241 617 D C -1.029 175.325 176.300 0.091 0.000 1.183 617 D CA -1.892 52.221 54.000 0.187 0.000 0.859 617 D CB 1.219 42.083 40.800 0.107 0.000 1.067 617 D HN -0.167 nan 8.370 nan 0.000 0.484 618 P HA -0.095 nan 4.420 nan 0.000 0.219 618 P C 0.871 178.095 177.300 -0.126 0.000 1.146 618 P CA 0.948 63.983 63.100 -0.108 0.000 0.808 618 P CB 0.228 31.847 31.700 -0.135 0.000 0.779 619 A N -0.311 122.476 122.820 -0.054 0.000 2.067 619 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 619 A C 1.707 179.267 177.584 -0.041 0.000 1.158 619 A CA 1.292 53.295 52.037 -0.056 0.000 0.661 619 A CB -0.685 18.303 19.000 -0.020 0.000 0.801 619 A HN 0.208 nan 8.150 nan 0.000 0.452 620 K N -0.273 120.112 120.400 -0.025 0.000 2.455 620 K HA 0.433 4.753 4.320 -0.000 0.000 0.206 620 K C 0.309 176.898 176.600 -0.018 0.000 1.027 620 K CA 0.139 56.420 56.287 -0.011 0.000 1.113 620 K CB 0.653 33.152 32.500 -0.002 0.000 0.850 620 K HN 0.365 nan 8.250 nan 0.000 0.503 621 A N 1.442 124.238 122.820 -0.041 0.000 2.425 621 A HA 0.210 4.530 4.320 -0.000 0.000 0.242 621 A C 0.161 177.782 177.584 0.062 0.000 1.077 621 A CA -0.165 51.856 52.037 -0.026 0.000 0.781 621 A CB 0.160 19.111 19.000 -0.082 0.000 1.020 621 A HN 0.132 nan 8.150 nan 0.000 0.494 622 I N 1.515 122.083 120.570 -0.004 0.000 2.395 622 I HA 0.585 4.755 4.170 -0.000 0.000 0.289 622 I C 0.980 176.942 176.117 -0.259 0.000 1.023 622 I CA 1.171 62.422 61.300 -0.083 0.000 1.350 622 I CB -0.203 37.719 38.000 -0.129 0.000 1.409 622 I HN 1.029 nan 8.210 nan 0.000 0.507 623 G N 8.275 116.777 108.800 -0.497 0.000 2.320 623 G HA2 0.104 4.064 3.960 -0.000 0.000 0.274 623 G HA3 0.104 4.064 3.960 -0.000 0.000 0.274 623 G C -3.171 171.333 174.900 -0.660 0.000 1.324 623 G CA -0.814 43.673 45.100 -1.022 0.000 0.957 623 G HN 0.402 nan 8.290 nan 0.000 0.481 624 P HA 0.366 nan 4.420 nan 0.000 0.272 624 P C 0.158 176.977 177.300 -0.801 0.000 1.223 624 P CA 0.019 62.435 63.100 -1.140 0.000 0.784 624 P CB 0.462 31.861 31.700 -0.502 0.000 0.923 625 M N 1.366 120.604 119.600 -0.603 0.000 2.202 625 M HA 0.193 4.673 4.480 -0.000 0.000 0.316 625 M C 0.115 176.438 176.300 0.037 0.000 1.138 625 M CA 0.098 55.194 55.300 -0.339 0.000 1.151 625 M CB 0.033 32.594 32.600 -0.064 0.000 1.422 625 M HN 0.256 nan 8.290 nan 0.000 0.471 626 Y N 1.153 121.399 120.300 -0.090 0.000 2.403 626 Y HA 0.277 4.827 4.550 -0.000 0.000 0.323 626 Y C 0.593 176.239 175.900 -0.423 0.000 1.226 626 Y CA -1.386 56.486 58.100 -0.380 0.000 1.235 626 Y CB 0.516 38.506 38.460 -0.783 0.000 1.248 626 Y HN 0.710 nan 8.280 nan 0.000 0.489 627 N N -1.668 116.936 118.700 -0.159 0.000 2.228 627 N HA 0.075 4.815 4.740 -0.000 0.000 0.237 627 N C -0.325 175.130 175.510 -0.091 0.000 1.382 627 N CA -0.094 52.815 53.050 -0.235 0.000 0.787 627 N CB -0.089 37.827 38.487 -0.953 0.000 1.320 627 N HN 0.639 nan 8.380 nan 0.000 0.507 628 Q N -0.359 119.442 119.800 0.002 0.000 2.606 628 Q HA 0.314 4.654 4.340 -0.000 0.000 0.215 628 Q C 1.162 177.157 176.000 -0.008 0.000 0.908 628 Q CA 0.594 56.377 55.803 -0.033 0.000 0.908 628 Q CB 0.570 29.258 28.738 -0.084 0.000 1.120 628 Q HN 0.084 nan 8.270 nan 0.000 0.628 629 V N 0.655 120.581 119.914 0.020 0.000 2.300 629 V HA -0.134 3.986 4.120 -0.000 0.000 0.233 629 V C 2.187 178.153 176.094 -0.214 0.000 1.052 629 V CA 1.235 63.490 62.300 -0.075 0.000 1.026 629 V CB -0.643 31.139 31.823 -0.068 0.000 0.661 629 V HN 0.122 nan 8.190 nan 0.000 0.470 630 V N -1.528 118.120 119.914 -0.444 0.000 2.343 630 V HA -0.158 3.961 4.120 -0.000 0.000 0.247 630 V C 0.777 176.344 176.094 -0.877 0.000 1.051 630 V CA 1.628 63.442 62.300 -0.810 0.000 1.036 630 V CB -0.733 30.334 31.823 -1.259 0.000 0.654 630 V HN 0.501 nan 8.190 nan 0.000 0.451 631 Y N -1.412 118.575 120.300 -0.521 0.000 2.536 631 Y HA 0.683 5.233 4.550 -0.000 0.000 0.347 631 Y C -0.125 175.761 175.900 -0.023 0.000 1.000 631 Y CA -1.201 56.786 58.100 -0.187 0.000 1.051 631 Y CB 1.585 39.989 38.460 -0.094 0.000 1.259 631 Y HN 0.011 nan 8.280 nan 0.000 0.468 632 Q N 0.831 120.689 119.800 0.097 0.000 2.309 632 Q HA 0.298 4.638 4.340 -0.000 0.000 0.264 632 Q C -1.327 174.669 176.000 -0.006 0.000 1.008 632 Q CA -0.961 54.858 55.803 0.027 0.000 0.853 632 Q CB 1.446 30.184 28.738 0.000 0.000 1.314 632 Q HN 0.584 nan 8.270 nan 0.000 0.448 633 Y N 4.245 124.407 120.300 -0.230 0.000 2.805 633 Y HA 0.021 4.571 4.550 -0.000 0.000 0.337 633 Y C -1.390 174.445 175.900 -0.107 0.000 1.252 633 Y CA -0.756 57.163 58.100 -0.301 0.000 1.515 633 Y CB 0.724 38.969 38.460 -0.360 0.000 1.305 633 Y HN 0.564 nan 8.280 nan 0.000 0.600 634 P HA 0.091 nan 4.420 nan 0.000 0.253 634 P C -1.098 176.043 177.300 -0.266 0.000 1.459 634 P CA 0.151 62.610 63.100 -1.069 0.000 0.908 634 P CB 0.027 31.163 31.700 -0.940 0.000 1.470 635 N N 0.639 119.250 118.700 -0.148 0.000 2.455 635 N HA 0.227 4.967 4.740 -0.000 0.000 0.280 635 N C -0.645 174.892 175.510 0.044 0.000 1.055 635 N CA 0.047 53.123 53.050 0.044 0.000 0.961 635 N CB 0.525 39.052 38.487 0.066 0.000 1.121 635 N HN 0.036 nan 8.380 nan 0.000 0.476 636 W N 1.796 123.057 121.300 -0.066 0.000 2.799 636 W HA 0.515 5.174 4.660 -0.000 0.000 0.349 636 W C -0.315 176.206 176.519 0.003 0.000 1.100 636 W CA -0.678 56.659 57.345 -0.014 0.000 1.174 636 W CB 0.518 29.914 29.460 -0.108 0.000 1.427 636 W HN 0.434 nan 8.180 nan 0.000 0.547 637 Y N -0.531 119.879 120.300 0.182 0.000 2.609 637 Y HA 0.772 5.322 4.550 -0.000 0.000 0.336 637 Y C -2.110 173.942 175.900 0.253 0.000 1.129 637 Y CA -2.398 55.763 58.100 0.102 0.000 1.040 637 Y CB 1.509 39.961 38.460 -0.014 0.000 1.310 637 Y HN 0.494 nan 8.280 nan 0.000 0.460 638 Y N 0.696 121.068 120.300 0.120 0.000 2.573 638 Y HA 0.381 4.931 4.550 -0.000 0.000 0.328 638 Y C -1.882 174.155 175.900 0.228 0.000 1.170 638 Y CA -1.308 56.800 58.100 0.014 0.000 1.078 638 Y CB 1.838 40.210 38.460 -0.146 0.000 1.341 638 Y HN 0.802 nan 8.280 nan 0.000 0.459 639 D N 3.600 123.980 120.400 -0.033 0.000 2.232 639 D HA 0.570 5.210 4.640 -0.000 0.000 0.242 639 D C -0.987 175.433 176.300 0.199 0.000 1.093 639 D CA 0.044 54.144 54.000 0.167 0.000 0.845 639 D CB 1.942 42.868 40.800 0.211 0.000 1.124 639 D HN 0.225 nan 8.370 nan 0.000 0.467 640 V N 1.006 121.113 119.914 0.321 0.000 2.656 640 V HA 0.339 4.459 4.120 -0.000 0.000 0.307 640 V C 0.216 176.466 176.094 0.260 0.000 1.051 640 V CA -0.962 61.516 62.300 0.297 0.000 0.893 640 V CB 2.087 34.071 31.823 0.269 0.000 0.999 640 V HN 0.479 nan 8.190 nan 0.000 0.426 641 S N 3.493 119.304 115.700 0.186 0.000 2.439 641 S HA 0.632 5.102 4.470 -0.000 0.000 0.282 641 S C -0.445 174.231 174.600 0.127 0.000 1.170 641 S CA -0.390 57.891 58.200 0.134 0.000 1.054 641 S CB 0.289 63.531 63.200 0.070 0.000 0.956 641 S HN 1.074 nan 8.310 nan 0.000 0.490 642 V N 2.965 122.968 119.914 0.149 0.000 3.102 642 V HA 0.805 4.924 4.120 -0.000 0.000 0.312 642 V C -2.860 173.290 176.094 0.094 0.000 1.135 642 V CA -2.932 59.453 62.300 0.141 0.000 1.022 642 V CB 1.675 33.650 31.823 0.254 0.000 1.056 642 V HN 0.624 nan 8.190 nan 0.000 0.436 643 P HA 0.224 nan 4.420 nan 0.000 0.266 643 P C 0.043 177.356 177.300 0.023 0.000 1.215 643 P CA 0.569 63.688 63.100 0.030 0.000 0.763 643 P CB 0.581 32.289 31.700 0.015 0.000 0.806 644 A N 3.794 126.629 122.820 0.024 0.000 2.540 644 A HA 0.397 4.717 4.320 -0.000 0.000 0.239 644 A C 1.633 179.215 177.584 -0.003 0.000 1.061 644 A CA 0.718 52.767 52.037 0.021 0.000 0.758 644 A CB -1.186 17.828 19.000 0.024 0.000 0.991 644 A HN 0.844 nan 8.150 nan 0.000 0.502 645 G N 1.363 110.154 108.800 -0.015 0.000 2.189 645 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.267 645 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.267 645 G C 0.279 175.143 174.900 -0.059 0.000 0.975 645 G CA 0.766 45.848 45.100 -0.029 0.000 0.644 645 G HN 0.803 nan 8.290 nan 0.000 0.537 646 K N 0.988 121.338 120.400 -0.084 0.000 2.174 646 K HA 0.450 4.770 4.320 -0.000 0.000 0.275 646 K C 0.022 176.507 176.600 -0.191 0.000 1.015 646 K CA -0.240 55.988 56.287 -0.099 0.000 0.933 646 K CB 1.110 33.571 32.500 -0.066 0.000 1.025 646 K HN 0.087 nan 8.250 nan 0.000 0.463 647 T N 3.581 118.056 114.554 -0.132 0.000 2.729 647 T HA 0.371 4.721 4.350 -0.000 0.000 0.296 647 T C 0.389 175.029 174.700 -0.100 0.000 0.928 647 T CA -0.253 61.761 62.100 -0.144 0.000 1.045 647 T CB -0.050 68.790 68.868 -0.047 0.000 0.902 647 T HN 0.304 nan 8.240 nan 0.000 0.500 648 I N 3.006 123.485 120.570 -0.151 0.000 2.509 648 I HA 0.339 4.509 4.170 -0.000 0.000 0.293 648 I C 0.328 176.650 176.117 0.342 0.000 1.020 648 I CA -0.801 60.535 61.300 0.059 0.000 1.088 648 I CB 2.091 40.126 38.000 0.060 0.000 1.267 648 I HN 0.468 nan 8.210 nan 0.000 0.430 649 E N 5.948 126.339 120.200 0.318 0.000 2.216 649 E HA 0.592 4.942 4.350 -0.000 0.000 0.279 649 E C -1.352 175.495 176.600 0.412 0.000 0.997 649 E CA -0.478 56.164 56.400 0.404 0.000 0.817 649 E CB 2.001 31.963 29.700 0.437 0.000 1.096 649 E HN 0.415 nan 8.360 nan 0.000 0.393 650 F N -0.269 119.859 119.950 0.296 0.000 2.686 650 F HA 0.681 5.208 4.527 -0.000 0.000 0.311 650 F C -1.113 174.849 175.800 0.270 0.000 1.128 650 F CA -1.106 56.945 58.000 0.085 0.000 0.946 650 F CB 1.526 40.468 39.000 -0.097 0.000 1.336 650 F HN 0.120 nan 8.300 nan 0.000 0.457 651 K N 0.771 121.330 120.400 0.265 0.000 2.556 651 K HA 0.581 4.901 4.320 -0.000 0.000 0.274 651 K C -2.109 174.434 176.600 -0.096 0.000 0.966 651 K CA -0.753 55.647 56.287 0.188 0.000 0.865 651 K CB 2.754 35.528 32.500 0.456 0.000 1.444 651 K HN 0.568 nan 8.250 nan 0.000 0.433 652 F N 1.634 121.705 119.950 0.201 0.000 2.432 652 F HA 0.540 5.067 4.527 -0.000 0.000 0.329 652 F C 0.074 175.952 175.800 0.129 0.000 1.076 652 F CA -0.709 57.387 58.000 0.159 0.000 1.018 652 F CB 0.938 40.096 39.000 0.264 0.000 1.201 652 F HN 0.083 nan 8.300 nan 0.000 0.489 653 L N 1.398 122.784 121.223 0.272 0.000 2.333 653 L HA 0.601 4.941 4.340 -0.000 0.000 0.263 653 L C -0.883 176.078 176.870 0.151 0.000 1.014 653 L CA -1.120 53.778 54.840 0.096 0.000 0.820 653 L CB 2.176 44.034 42.059 -0.334 0.000 1.352 653 L HN 0.456 nan 8.230 nan 0.000 0.421 654 K N 1.641 122.090 120.400 0.081 0.000 2.274 654 K HA 0.562 4.882 4.320 -0.000 0.000 0.262 654 K C -1.218 175.343 176.600 -0.065 0.000 0.961 654 K CA -0.696 55.559 56.287 -0.053 0.000 0.833 654 K CB 1.883 34.304 32.500 -0.131 0.000 1.102 654 K HN 0.417 nan 8.250 nan 0.000 0.436 655 K N 2.223 122.591 120.400 -0.052 0.000 2.378 655 K HA 0.242 4.562 4.320 -0.000 0.000 0.252 655 K C -1.076 175.506 176.600 -0.030 0.000 0.931 655 K CA -0.823 55.390 56.287 -0.122 0.000 0.794 655 K CB 2.290 34.548 32.500 -0.404 0.000 1.181 655 K HN 0.358 nan 8.250 nan 0.000 0.425 656 Q N 1.641 121.419 119.800 -0.037 0.000 2.394 656 Q HA 0.355 4.695 4.340 -0.000 0.000 0.261 656 Q C 0.216 176.207 176.000 -0.015 0.000 1.023 656 Q CA 0.197 55.999 55.803 -0.001 0.000 0.720 656 Q CB 1.218 29.960 28.738 0.007 0.000 1.241 656 Q HN 0.846 nan 8.270 nan 0.000 0.483 657 G N 1.930 110.726 108.800 -0.007 0.000 2.596 657 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.304 657 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.304 657 G C 0.709 175.573 174.900 -0.061 0.000 1.189 657 G CA 0.465 45.555 45.100 -0.016 0.000 0.986 657 G HN 0.855 nan 8.290 nan 0.000 0.548 658 S N 0.067 115.737 115.700 -0.049 0.000 2.548 658 S HA 0.307 4.777 4.470 -0.000 0.000 0.215 658 S C 1.059 175.621 174.600 -0.063 0.000 0.976 658 S CA 1.389 59.550 58.200 -0.065 0.000 0.908 658 S CB -0.198 62.981 63.200 -0.036 0.000 0.781 658 S HN 0.951 nan 8.310 nan 0.000 0.519 659 T N 2.629 117.155 114.554 -0.047 0.000 2.814 659 T HA 0.453 4.803 4.350 -0.000 0.000 0.297 659 T C -0.435 174.233 174.700 -0.053 0.000 0.956 659 T CA -0.072 62.011 62.100 -0.028 0.000 1.123 659 T CB 1.179 70.043 68.868 -0.006 0.000 0.902 659 T HN 0.301 nan 8.240 nan 0.000 0.528 660 V N 2.956 122.848 119.914 -0.038 0.000 2.604 660 V HA 0.783 4.903 4.120 -0.000 0.000 0.305 660 V C -0.514 175.582 176.094 0.003 0.000 1.043 660 V CA -0.451 61.797 62.300 -0.085 0.000 0.888 660 V CB 2.348 34.048 31.823 -0.206 0.000 0.995 660 V HN 0.816 nan 8.190 nan 0.000 0.429 661 T N 6.427 120.985 114.554 0.007 0.000 2.791 661 T HA 0.486 4.836 4.350 -0.000 0.000 0.288 661 T C -0.884 173.941 174.700 0.208 0.000 0.999 661 T CA 0.067 62.258 62.100 0.151 0.000 0.952 661 T CB 0.680 69.647 68.868 0.165 0.000 0.938 661 T HN 0.773 nan 8.240 nan 0.000 0.444 662 W N 1.960 123.351 121.300 0.152 0.000 2.313 662 W HA 0.353 5.013 4.660 -0.000 0.000 0.328 662 W C 1.004 177.532 176.519 0.015 0.000 1.197 662 W CA -0.729 56.674 57.345 0.097 0.000 1.235 662 W CB 0.430 29.897 29.460 0.011 0.000 1.158 662 W HN 0.585 nan 8.180 nan 0.000 0.578 663 E N 0.819 121.015 120.200 -0.007 0.000 2.415 663 E HA 0.171 4.521 4.350 -0.000 0.000 0.262 663 E C 0.650 177.138 176.600 -0.187 0.000 1.038 663 E CA 0.092 56.151 56.400 -0.568 0.000 0.921 663 E CB 0.610 29.953 29.700 -0.594 0.000 0.950 663 E HN 0.634 nan 8.360 nan 0.000 0.438 664 G N 1.011 109.672 108.800 -0.232 0.000 2.557 664 G HA2 0.521 4.481 3.960 -0.000 0.000 0.292 664 G HA3 0.521 4.481 3.960 -0.000 0.000 0.292 664 G C 0.248 175.043 174.900 -0.176 0.000 1.237 664 G CA 0.048 45.073 45.100 -0.126 0.000 0.978 664 G HN 0.824 nan 8.290 nan 0.000 0.498 665 G N -1.067 107.646 108.800 -0.145 0.000 2.645 665 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.239 665 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.239 665 G C 0.305 175.087 174.900 -0.195 0.000 1.331 665 G CA 0.114 45.117 45.100 -0.161 0.000 0.890 665 G HN 1.336 nan 8.290 nan 0.000 0.572 666 S N 0.850 116.425 115.700 -0.208 0.000 2.632 666 S HA 0.499 4.969 4.470 -0.000 0.000 0.271 666 S C 0.706 175.139 174.600 -0.278 0.000 1.260 666 S CA -0.621 57.453 58.200 -0.210 0.000 1.010 666 S CB 0.762 63.864 63.200 -0.163 0.000 0.965 666 S HN 0.699 nan 8.310 nan 0.000 0.534 667 N N 2.163 120.738 118.700 -0.208 0.000 2.374 667 N HA 0.028 4.768 4.740 -0.000 0.000 0.241 667 N C -0.006 175.331 175.510 -0.288 0.000 1.262 667 N CA 0.450 53.405 53.050 -0.159 0.000 0.880 667 N CB 0.082 38.596 38.487 0.044 0.000 1.105 667 N HN 0.552 nan 8.380 nan 0.000 0.438 668 H N 0.111 118.952 119.070 -0.382 0.000 2.546 668 H HA 0.357 4.913 4.556 -0.000 0.000 0.365 668 H C -0.010 175.065 175.328 -0.422 0.000 1.220 668 H CA 0.321 56.026 56.048 -0.572 0.000 1.386 668 H CB 0.966 29.971 29.762 -1.263 0.000 1.510 668 H HN 0.345 nan 8.280 nan 0.000 0.591 669 T N 2.203 116.797 114.554 0.067 0.000 2.916 669 T HA 0.454 4.804 4.350 -0.000 0.000 0.305 669 T C -1.072 173.977 174.700 0.582 0.000 1.119 669 T CA -0.728 61.566 62.100 0.324 0.000 1.008 669 T CB 1.381 70.360 68.868 0.185 0.000 1.129 669 T HN 0.525 nan 8.240 nan 0.000 0.480 670 F N -0.930 119.232 119.950 0.353 0.000 2.741 670 F HA 0.722 5.249 4.527 -0.000 0.000 0.311 670 F C -1.603 174.299 175.800 0.171 0.000 1.149 670 F CA -0.852 57.298 58.000 0.251 0.000 0.930 670 F CB 0.899 40.059 39.000 0.266 0.000 1.312 670 F HN 0.412 nan 8.300 nan 0.000 0.450 671 T N 2.776 117.183 114.554 -0.245 0.000 2.791 671 T HA 0.747 5.097 4.350 -0.000 0.000 0.288 671 T C -0.063 174.432 174.700 -0.342 0.000 0.999 671 T CA -0.166 61.706 62.100 -0.380 0.000 0.952 671 T CB 1.070 69.870 68.868 -0.113 0.000 0.938 671 T HN 0.958 nan 8.240 nan 0.000 0.444 672 A N 6.222 128.745 122.820 -0.495 0.000 2.498 672 A HA 0.477 4.797 4.320 -0.000 0.000 0.239 672 A C -1.887 175.700 177.584 0.006 0.000 1.068 672 A CA -1.009 50.970 52.037 -0.097 0.000 0.766 672 A CB -0.322 18.649 19.000 -0.048 0.000 1.003 672 A HN 0.518 nan 8.150 nan 0.000 0.497 673 P HA 0.026 nan 4.420 nan 0.000 0.271 673 P C 0.765 178.092 177.300 0.045 0.000 1.233 673 P CA 0.405 63.543 63.100 0.063 0.000 0.789 673 P CB 0.718 32.468 31.700 0.083 0.000 0.951 674 S N -0.312 115.409 115.700 0.036 0.000 2.496 674 S HA 0.090 4.560 4.470 -0.000 0.000 0.224 674 S C 0.710 175.331 174.600 0.035 0.000 0.996 674 S CA 0.601 58.818 58.200 0.028 0.000 0.927 674 S CB -0.564 62.649 63.200 0.021 0.000 0.774 674 S HN 0.797 nan 8.310 nan 0.000 0.524 675 S N -1.445 114.284 115.700 0.047 0.000 2.595 675 S HA 0.631 5.101 4.470 -0.000 0.000 0.270 675 S C 0.139 174.783 174.600 0.073 0.000 1.145 675 S CA -0.219 58.014 58.200 0.055 0.000 0.825 675 S CB 0.699 63.924 63.200 0.043 0.000 1.107 675 S HN 1.829 nan 8.310 nan 0.000 0.461 676 G N 0.969 109.825 108.800 0.093 0.000 2.645 676 G HA2 0.204 4.164 3.960 -0.000 0.000 0.239 676 G HA3 0.204 4.164 3.960 -0.000 0.000 0.239 676 G C 0.038 175.015 174.900 0.129 0.000 1.331 676 G CA 0.513 45.680 45.100 0.111 0.000 0.890 676 G HN 2.349 nan 8.290 nan 0.000 0.572 677 T N -2.355 112.272 114.554 0.122 0.000 2.919 677 T HA 1.028 5.377 4.350 -0.000 0.000 0.282 677 T C 0.142 174.894 174.700 0.088 0.000 1.020 677 T CA 0.515 62.692 62.100 0.127 0.000 0.994 677 T CB 1.881 70.830 68.868 0.136 0.000 1.180 677 T HN 2.636 nan 8.240 nan 0.000 0.566 678 A N 0.067 122.927 122.820 0.067 0.000 2.605 678 A HA 0.673 4.993 4.320 -0.000 0.000 0.294 678 A C -0.712 176.845 177.584 -0.045 0.000 1.062 678 A CA -0.922 51.130 52.037 0.024 0.000 0.682 678 A CB 1.299 20.328 19.000 0.047 0.000 1.278 678 A HN 0.858 nan 8.150 nan 0.000 0.410 679 T N 2.541 117.055 114.554 -0.067 0.000 2.815 679 T HA 0.495 4.844 4.350 -0.000 0.000 0.289 679 T C -0.609 173.980 174.700 -0.185 0.000 1.000 679 T CA -0.232 61.799 62.100 -0.114 0.000 0.958 679 T CB 0.440 69.298 68.868 -0.017 0.000 0.944 679 T HN 0.427 nan 8.240 nan 0.000 0.442 680 I N 4.134 124.472 120.570 -0.386 0.000 2.306 680 I HA 0.340 4.510 4.170 -0.000 0.000 0.288 680 I C 0.265 176.273 176.117 -0.181 0.000 1.036 680 I CA -0.874 60.196 61.300 -0.384 0.000 1.221 680 I CB 0.439 37.898 38.000 -0.902 0.000 1.385 680 I HN 0.486 nan 8.210 nan 0.000 0.472 681 N N 6.752 125.416 118.700 -0.060 0.000 2.424 681 N HA 0.558 5.298 4.740 -0.000 0.000 0.271 681 N C -0.789 174.748 175.510 0.045 0.000 0.985 681 N CA -0.155 52.883 53.050 -0.020 0.000 0.921 681 N CB 1.895 40.372 38.487 -0.016 0.000 1.149 681 N HN 0.444 nan 8.380 nan 0.000 0.492 682 V N 1.062 121.010 119.914 0.058 0.000 3.130 682 V HA 0.675 4.795 4.120 -0.000 0.000 0.310 682 V C -0.458 175.678 176.094 0.070 0.000 1.158 682 V CA -1.121 61.226 62.300 0.078 0.000 1.029 682 V CB 2.075 33.883 31.823 -0.024 0.000 1.057 682 V HN 0.460 nan 8.190 nan 0.000 0.436 683 N N 1.649 120.435 118.700 0.144 0.000 2.487 683 N HA 0.245 4.985 4.740 -0.000 0.000 0.292 683 N C -0.772 174.889 175.510 0.253 0.000 1.108 683 N CA -0.307 52.843 53.050 0.166 0.000 0.956 683 N CB 1.845 40.426 38.487 0.156 0.000 1.176 683 N HN 1.017 nan 8.380 nan 0.000 0.484 684 W N 2.428 123.770 121.300 0.071 0.000 2.308 684 W HA 0.059 4.719 4.660 -0.000 0.000 0.324 684 W C -0.769 175.838 176.519 0.145 0.000 1.387 684 W CA 0.000 57.413 57.345 0.114 0.000 1.250 684 W CB 0.261 29.732 29.460 0.018 0.000 1.257 684 W HN 0.418 nan 8.180 nan 0.000 0.554 685 Q N 7.662 127.187 119.800 -0.458 0.000 2.303 685 Q HA 0.249 4.589 4.340 -0.000 0.000 0.257 685 Q C -1.938 173.762 176.000 -0.501 0.000 0.941 685 Q CA -1.675 53.927 55.803 -0.334 0.000 0.931 685 Q CB 1.437 30.015 28.738 -0.267 0.000 1.215 685 Q HN 0.204 nan 8.270 nan 0.000 0.437 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.205 63.100 0.175 0.000 0.800 686 P CB 0.000 31.833 31.700 0.221 0.000 0.726