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 1hcu_1_D DATA FIRST_RESID 9 DATA SEQUENCE GSPNPTRAAA VKAAFQTSWN AYHHFAFPHD DLHPVSNSFD DERNGWGSSA DATA SEQUENCE IDGLDTAILM GDADIVNTIL QYVPQINFTT TAVANQGSSV FETNIRYLGG DATA SEQUENCE LLSAYDLLRG PFSSLATNQT LVNSLLRQAQ TLANGLKVAF TTPSGVPDPT DATA SEQUENCE VFFNPTVRRS GASSNNVAEI GSLVLEWTRL SDLTGNPQYA QLAQKGESYL DATA SEQUENCE LNPKGSPEAW PGLIGTFVST SNGTFQDSSG SWSGLMDSFY EYLIKMYLYD DATA SEQUENCE PVAFAHYKDR WVLGADSTIG HLGSHPSTRK DLTFLSSYNG QSTSPNSGHL DATA SEQUENCE ASFGGGNFIL GGILLNEQKY IDFGIKLASS YFGTYTQTAS GIGPEGFAWV DATA SEQUENCE DSVTGAGGSP PSSQSGFYSS AGFWVTAPYY ILRPETLESL YYAYRVTGDS DATA SEQUENCE KWQDLAWEAL SAIEDACRAG SAYSSINDVT QANGGGASDD MESFWFAEAL DATA SEQUENCE KYAYLIFAEE SDVQVQATGG NKFVFNTEAH PFSIRS 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 9 G HA2 0.000 nan 3.960 nan 0.000 0.244 9 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 9 G C 0.000 174.985 174.900 0.142 0.000 0.946 9 G CA 0.000 45.169 45.100 0.115 0.000 0.502 10 S N 0.396 116.230 115.700 0.224 0.000 2.562 10 S HA 0.750 5.221 4.470 0.000 0.000 0.274 10 S C -2.870 171.809 174.600 0.132 0.000 1.160 10 S CA -0.738 57.545 58.200 0.139 0.000 0.933 10 S CB 2.148 65.391 63.200 0.072 0.000 1.100 10 S HN 0.674 nan 8.310 nan 0.000 0.468 11 P HA 0.258 nan 4.420 nan 0.000 0.272 11 P C -1.192 176.116 177.300 0.013 0.000 1.230 11 P CA -0.468 62.670 63.100 0.063 0.000 0.788 11 P CB 0.439 32.171 31.700 0.052 0.000 0.949 12 N N 2.012 120.711 118.700 -0.002 0.000 2.626 12 N HA 0.148 4.888 4.740 0.000 0.000 0.249 12 N C -1.659 173.769 175.510 -0.136 0.000 1.021 12 N CA -2.225 50.759 53.050 -0.109 0.000 0.886 12 N CB 1.445 39.792 38.487 -0.233 0.000 1.149 12 N HN 0.174 nan 8.380 nan 0.000 0.517 13 P HA -0.122 nan 4.420 nan 0.000 0.215 13 P C 1.146 178.385 177.300 -0.102 0.000 1.153 13 P CA 1.357 64.417 63.100 -0.066 0.000 0.853 13 P CB 0.375 32.054 31.700 -0.036 0.000 0.788 14 T N 0.441 114.895 114.554 -0.167 0.000 2.622 14 T HA -0.133 4.217 4.350 0.000 0.000 0.266 14 T C 2.058 176.573 174.700 -0.308 0.000 1.047 14 T CA 1.625 63.606 62.100 -0.197 0.000 1.159 14 T CB -0.560 68.171 68.868 -0.229 0.000 0.863 14 T HN 0.125 nan 8.240 nan 0.000 0.422 15 R N 0.799 120.932 120.500 -0.612 0.000 2.152 15 R HA 0.092 4.432 4.340 0.000 0.000 0.232 15 R C 2.589 178.621 176.300 -0.447 0.000 1.117 15 R CA 1.095 56.586 56.100 -1.017 0.000 0.981 15 R CB -0.416 28.700 30.300 -1.973 0.000 0.870 15 R HN 0.392 nan 8.270 nan 0.000 0.451 16 A N 0.503 123.205 122.820 -0.198 0.000 1.897 16 A HA -0.025 4.296 4.320 0.000 0.000 0.215 16 A C 2.274 180.002 177.584 0.240 0.000 1.181 16 A CA 1.468 53.569 52.037 0.107 0.000 0.620 16 A CB -0.641 18.369 19.000 0.017 0.000 0.821 16 A HN 0.368 nan 8.150 nan 0.000 0.443 17 A N -0.140 122.755 122.820 0.125 0.000 1.930 17 A HA 0.234 4.554 4.320 0.000 0.000 0.217 17 A C 2.455 180.138 177.584 0.164 0.000 1.175 17 A CA 1.796 53.919 52.037 0.143 0.000 0.627 17 A CB -0.895 18.154 19.000 0.082 0.000 0.815 17 A HN 0.971 nan 8.150 nan 0.000 0.443 18 A N -0.365 122.550 122.820 0.158 0.000 1.883 18 A HA -0.047 4.273 4.320 0.000 0.000 0.217 18 A C 2.216 179.974 177.584 0.290 0.000 1.186 18 A CA 1.918 54.103 52.037 0.247 0.000 0.624 18 A CB -0.964 18.262 19.000 0.378 0.000 0.822 18 A HN 0.404 nan 8.150 nan 0.000 0.444 19 V N 0.229 120.341 119.914 0.330 0.000 2.358 19 V HA -0.252 3.868 4.120 0.000 0.000 0.246 19 V C 2.514 178.744 176.094 0.225 0.000 1.047 19 V CA 2.298 64.783 62.300 0.309 0.000 1.035 19 V CB -0.670 31.399 31.823 0.410 0.000 0.658 19 V HN 0.675 nan 8.190 nan 0.000 0.452 20 K N 0.273 120.800 120.400 0.211 0.000 2.147 20 K HA -0.182 4.138 4.320 0.000 0.000 0.205 20 K C 2.158 178.863 176.600 0.174 0.000 1.049 20 K CA 1.469 57.806 56.287 0.083 0.000 0.936 20 K CB -0.258 32.263 32.500 0.034 0.000 0.722 20 K HN 0.448 nan 8.250 nan 0.000 0.446 21 A N 1.092 124.032 122.820 0.200 0.000 1.873 21 A HA -0.083 4.237 4.320 0.000 0.000 0.215 21 A C 2.339 180.090 177.584 0.277 0.000 1.186 21 A CA 1.744 53.915 52.037 0.222 0.000 0.616 21 A CB -0.831 18.294 19.000 0.208 0.000 0.823 21 A HN 0.451 nan 8.150 nan 0.000 0.442 22 A N -1.230 121.758 122.820 0.280 0.000 1.940 22 A HA -0.130 4.191 4.320 0.000 0.000 0.219 22 A C 2.061 179.817 177.584 0.287 0.000 1.176 22 A CA 1.774 54.000 52.037 0.315 0.000 0.631 22 A CB -0.740 18.360 19.000 0.167 0.000 0.814 22 A HN 0.686 nan 8.150 nan 0.000 0.446 23 F N 0.330 120.317 119.950 0.061 0.000 2.146 23 F HA -0.153 4.375 4.527 0.000 0.000 0.298 23 F C 2.427 178.361 175.800 0.223 0.000 1.096 23 F CA 2.150 60.169 58.000 0.032 0.000 1.275 23 F CB -0.348 38.607 39.000 -0.075 0.000 1.008 23 F HN 0.310 nan 8.300 nan 0.000 0.480 24 Q N 0.335 120.410 119.800 0.460 0.000 2.030 24 Q HA -0.176 4.165 4.340 0.000 0.000 0.204 24 Q C 2.115 178.333 176.000 0.363 0.000 0.986 24 Q CA 2.981 59.029 55.803 0.409 0.000 0.843 24 Q CB -1.018 27.900 28.738 0.301 0.000 0.904 24 Q HN 0.401 nan 8.270 nan 0.000 0.420 25 T N -0.083 114.668 114.554 0.327 0.000 2.684 25 T HA -0.156 4.194 4.350 0.000 0.000 0.267 25 T C 1.998 176.900 174.700 0.337 0.000 1.036 25 T CA 1.532 63.820 62.100 0.313 0.000 1.148 25 T CB -0.520 68.544 68.868 0.328 0.000 0.863 25 T HN 0.281 nan 8.240 nan 0.000 0.436 26 S N 0.177 116.089 115.700 0.354 0.000 2.359 26 S HA -0.124 4.346 4.470 0.000 0.000 0.224 26 S C 1.611 176.525 174.600 0.522 0.000 1.035 26 S CA 1.127 59.532 58.200 0.341 0.000 1.018 26 S CB -0.468 62.734 63.200 0.004 0.000 0.876 26 S HN 0.647 nan 8.310 nan 0.000 0.448 27 W N 2.617 124.105 121.300 0.313 0.000 2.379 27 W HA -0.130 4.531 4.660 0.000 0.000 0.307 27 W C 1.709 178.432 176.519 0.340 0.000 1.200 27 W CA 1.354 58.909 57.345 0.350 0.000 1.297 27 W CB -0.815 28.730 29.460 0.143 0.000 1.140 27 W HN 0.392 nan 8.180 nan 0.000 0.507 28 N N 0.541 119.411 118.700 0.283 0.000 2.061 28 N HA -0.226 4.514 4.740 0.000 0.000 0.193 28 N C 2.059 177.662 175.510 0.155 0.000 1.030 28 N CA 1.949 55.103 53.050 0.174 0.000 0.856 28 N CB -0.607 38.023 38.487 0.238 0.000 1.023 28 N HN 0.103 nan 8.380 nan 0.000 0.424 29 A N 0.786 123.766 122.820 0.267 0.000 1.865 29 A HA -0.234 4.086 4.320 0.000 0.000 0.217 29 A C 2.052 179.843 177.584 0.345 0.000 1.191 29 A CA 1.430 53.687 52.037 0.368 0.000 0.623 29 A CB -1.184 17.992 19.000 0.294 0.000 0.826 29 A HN 0.565 nan 8.150 nan 0.000 0.444 30 Y N -0.575 119.799 120.300 0.124 0.000 2.181 30 Y HA -0.276 4.274 4.550 0.000 0.000 0.288 30 Y C 2.412 178.209 175.900 -0.172 0.000 1.146 30 Y CA 2.321 60.422 58.100 0.001 0.000 1.164 30 Y CB -0.546 37.879 38.460 -0.058 0.000 0.982 30 Y HN 0.596 nan 8.280 nan 0.000 0.515 31 H N -1.606 116.968 119.070 -0.827 0.000 2.387 31 H HA -0.220 4.336 4.556 0.000 0.000 0.299 31 H C 2.129 177.185 175.328 -0.454 0.000 1.090 31 H CA 1.673 57.142 56.048 -0.965 0.000 1.332 31 H CB -0.297 28.798 29.762 -1.112 0.000 1.386 31 H HN 0.608 nan 8.280 nan 0.000 0.516 32 H N -1.269 117.517 119.070 -0.474 0.000 2.415 32 H HA -0.060 4.497 4.556 0.000 0.000 0.297 32 H C 0.927 175.859 175.328 -0.661 0.000 1.048 32 H CA 0.948 56.628 56.048 -0.614 0.000 1.365 32 H CB 0.308 29.678 29.762 -0.654 0.000 1.421 32 H HN 0.297 nan 8.280 nan 0.000 0.533 33 F N -1.286 118.546 119.950 -0.197 0.000 2.704 33 F HA 0.344 4.871 4.527 0.000 0.000 0.304 33 F C 1.802 177.549 175.800 -0.087 0.000 1.094 33 F CA 0.479 58.373 58.000 -0.176 0.000 1.275 33 F CB 0.799 39.723 39.000 -0.127 0.000 1.073 33 F HN 0.179 nan 8.300 nan 0.000 0.586 34 A N -0.834 121.932 122.820 -0.089 0.000 1.933 34 A HA 0.189 4.509 4.320 0.000 0.000 0.198 34 A C 0.272 177.600 177.584 -0.426 0.000 1.617 34 A CA -0.276 51.667 52.037 -0.156 0.000 1.039 34 A CB -0.744 18.280 19.000 0.040 0.000 1.066 34 A HN 0.060 nan 8.150 nan 0.000 0.484 35 F N 3.185 122.536 119.950 -0.997 0.000 2.604 35 F HA 0.179 4.707 4.527 0.000 0.000 0.390 35 F C -1.469 173.996 175.800 -0.558 0.000 1.053 35 F CA -0.727 56.770 58.000 -0.838 0.000 1.256 35 F CB 0.871 39.450 39.000 -0.700 0.000 0.996 35 F HN 0.093 nan 8.300 nan 0.000 0.564 36 P HA 0.076 nan 4.420 nan 0.000 0.248 36 P C -0.678 176.187 177.300 -0.725 0.000 1.708 36 P CA 0.029 62.255 63.100 -1.458 0.000 1.062 36 P CB -0.113 30.516 31.700 -1.785 0.000 1.562 37 H N 0.636 119.441 119.070 -0.442 0.000 2.547 37 H HA 0.081 4.637 4.556 0.000 0.000 0.362 37 H C 1.052 176.409 175.328 0.048 0.000 1.181 37 H CA -0.006 55.870 56.048 -0.288 0.000 1.376 37 H CB 1.046 30.407 29.762 -0.668 0.000 1.488 37 H HN 0.002 nan 8.280 nan 0.000 0.583 38 D N 1.445 121.982 120.400 0.228 0.000 2.120 38 D HA -0.143 4.498 4.640 0.000 0.000 0.191 38 D C -0.100 176.331 176.300 0.218 0.000 0.994 38 D CA 1.677 55.817 54.000 0.233 0.000 0.838 38 D CB 0.001 40.921 40.800 0.200 0.000 0.976 38 D HN 0.603 nan 8.370 nan 0.000 0.447 39 D N -1.172 119.361 120.400 0.221 0.000 2.490 39 D HA 0.482 5.122 4.640 0.000 0.000 0.232 39 D C -0.824 175.625 176.300 0.248 0.000 1.053 39 D CA -0.712 53.409 54.000 0.203 0.000 0.914 39 D CB 2.261 43.152 40.800 0.152 0.000 1.431 39 D HN -0.093 nan 8.370 nan 0.000 0.483 40 L N 0.549 121.955 121.223 0.305 0.000 2.334 40 L HA 0.438 4.778 4.340 0.000 0.000 0.275 40 L C -1.107 175.934 176.870 0.285 0.000 1.036 40 L CA -0.290 54.719 54.840 0.283 0.000 0.807 40 L CB 1.167 43.473 42.059 0.411 0.000 1.231 40 L HN 0.501 nan 8.230 nan 0.000 0.438 41 H N 5.683 124.804 119.070 0.085 0.000 2.697 41 H HA 0.262 4.819 4.556 0.000 0.000 0.270 41 H C -1.775 173.520 175.328 -0.054 0.000 1.188 41 H CA -1.835 54.209 56.048 -0.006 0.000 1.322 41 H CB 0.877 30.614 29.762 -0.041 0.000 1.405 41 H HN 0.574 nan 8.280 nan 0.000 0.502 42 P HA -0.229 nan 4.420 nan 0.000 0.217 42 P C 1.415 178.640 177.300 -0.126 0.000 1.151 42 P CA 1.033 64.099 63.100 -0.057 0.000 0.849 42 P CB 0.509 32.177 31.700 -0.053 0.000 0.787 43 V N 1.150 121.007 119.914 -0.095 0.000 2.283 43 V HA -0.148 3.972 4.120 0.000 0.000 0.243 43 V C 2.701 178.722 176.094 -0.122 0.000 1.039 43 V CA 2.616 64.849 62.300 -0.111 0.000 1.016 43 V CB -1.557 30.210 31.823 -0.094 0.000 0.650 43 V HN 0.300 nan 8.190 nan 0.000 0.449 44 S N -1.288 114.357 115.700 -0.092 0.000 2.575 44 S HA 0.069 4.539 4.470 0.000 0.000 0.215 44 S C 0.704 175.226 174.600 -0.130 0.000 0.966 44 S CA 0.341 58.485 58.200 -0.095 0.000 0.911 44 S CB -0.838 62.328 63.200 -0.056 0.000 0.780 44 S HN 0.690 nan 8.310 nan 0.000 0.514 45 N N 1.644 120.236 118.700 -0.179 0.000 2.727 45 N HA -0.180 4.560 4.740 0.000 0.000 0.249 45 N C 0.011 175.480 175.510 -0.069 0.000 1.048 45 N CA 0.436 53.324 53.050 -0.269 0.000 0.714 45 N CB -1.148 36.945 38.487 -0.657 0.000 0.959 45 N HN 0.790 nan 8.380 nan 0.000 0.544 46 S N -0.253 115.417 115.700 -0.051 0.000 2.748 46 S HA 0.879 5.350 4.470 0.000 0.000 0.299 46 S C -0.318 174.141 174.600 -0.234 0.000 1.119 46 S CA -0.757 57.341 58.200 -0.171 0.000 0.997 46 S CB 1.616 64.692 63.200 -0.206 0.000 1.223 46 S HN 0.333 nan 8.310 nan 0.000 0.541 47 F N -1.202 118.497 119.950 -0.419 0.000 2.715 47 F HA 0.869 5.397 4.527 0.000 0.000 0.318 47 F C -1.664 173.810 175.800 -0.543 0.000 1.141 47 F CA -1.099 56.571 58.000 -0.552 0.000 0.950 47 F CB 0.617 39.451 39.000 -0.277 0.000 1.374 47 F HN 0.780 nan 8.300 nan 0.000 0.477 48 D N -1.926 118.460 120.400 -0.022 0.000 2.596 48 D HA 0.353 4.993 4.640 0.000 0.000 0.234 48 D C -1.700 174.715 176.300 0.192 0.000 1.181 48 D CA -0.599 53.447 54.000 0.077 0.000 0.856 48 D CB 2.118 42.986 40.800 0.112 0.000 1.498 48 D HN 0.509 nan 8.370 nan 0.000 0.446 49 D N 0.448 120.941 120.400 0.154 0.000 3.010 49 D HA 0.197 4.837 4.640 0.000 0.000 0.347 49 D C 0.818 177.163 176.300 0.074 0.000 1.340 49 D CA 0.054 54.132 54.000 0.130 0.000 0.858 49 D CB 0.887 41.759 40.800 0.119 0.000 1.111 49 D HN 0.677 nan 8.370 nan 0.000 0.482 50 E N 0.405 120.660 120.200 0.093 0.000 2.409 50 E HA -0.129 4.221 4.350 0.000 0.000 0.198 50 E C 1.651 178.298 176.600 0.079 0.000 1.024 50 E CA 0.683 57.128 56.400 0.075 0.000 0.861 50 E CB -0.088 29.667 29.700 0.092 0.000 0.788 50 E HN -0.071 nan 8.360 nan 0.000 0.521 51 R N 0.566 121.134 120.500 0.112 0.000 2.791 51 R HA 0.213 4.554 4.340 0.000 0.000 0.357 51 R C 0.004 176.357 176.300 0.088 0.000 1.173 51 R CA 0.041 56.259 56.100 0.197 0.000 1.060 51 R CB -0.797 29.688 30.300 0.309 0.000 1.406 51 R HN 0.381 nan 8.270 nan 0.000 0.580 52 N N -0.598 118.013 118.700 -0.149 0.000 2.815 52 N HA -0.213 4.527 4.740 0.000 0.000 0.247 52 N C 0.508 175.674 175.510 -0.572 0.000 1.030 52 N CA 1.354 54.096 53.050 -0.514 0.000 0.881 52 N CB -1.133 36.681 38.487 -1.122 0.000 1.134 52 N HN 0.579 nan 8.380 nan 0.000 0.582 53 G N -1.110 107.572 108.800 -0.197 0.000 2.198 53 G HA2 -0.286 3.674 3.960 0.000 0.000 0.260 53 G HA3 -0.286 3.674 3.960 0.000 0.000 0.260 53 G C 0.592 175.460 174.900 -0.054 0.000 1.025 53 G CA 0.573 45.617 45.100 -0.094 0.000 0.769 53 G HN 0.469 nan 8.290 nan 0.000 0.507 54 W N -0.165 121.197 121.300 0.104 0.000 3.003 54 W HA 0.415 5.075 4.660 0.000 0.000 0.257 54 W C 1.535 178.214 176.519 0.266 0.000 1.308 54 W CA 0.931 58.264 57.345 -0.020 0.000 1.529 54 W CB -0.162 29.069 29.460 -0.382 0.000 1.115 54 W HN 1.389 nan 8.180 nan 0.000 0.659 55 G N 0.373 109.518 108.800 0.575 0.000 2.629 55 G HA2 -0.226 3.735 3.960 0.000 0.000 0.154 55 G HA3 -0.226 3.735 3.960 0.000 0.000 0.154 55 G C 0.831 176.042 174.900 0.519 0.000 1.077 55 G CA 0.285 45.690 45.100 0.508 0.000 0.831 55 G HN 0.005 nan 8.290 nan 0.000 0.495 56 S N -0.000 115.934 115.700 0.391 0.000 2.392 56 S HA -0.185 4.285 4.470 0.000 0.000 0.225 56 S C 2.748 177.335 174.600 -0.022 0.000 1.041 56 S CA 2.599 60.841 58.200 0.070 0.000 1.100 56 S CB -0.260 62.981 63.200 0.067 0.000 1.029 56 S HN 0.979 nan 8.310 nan 0.000 0.424 57 S N 1.323 116.936 115.700 -0.145 0.000 2.402 57 S HA -0.120 4.350 4.470 0.000 0.000 0.233 57 S C 2.090 176.476 174.600 -0.357 0.000 1.030 57 S CA 1.185 59.093 58.200 -0.487 0.000 1.003 57 S CB -0.716 61.724 63.200 -1.267 0.000 0.813 57 S HN 0.685 nan 8.310 nan 0.000 0.477 58 A N 1.736 124.572 122.820 0.026 0.000 1.855 58 A HA -0.026 4.294 4.320 0.000 0.000 0.215 58 A C 2.002 179.723 177.584 0.229 0.000 1.191 58 A CA 1.131 53.378 52.037 0.351 0.000 0.613 58 A CB -0.513 18.862 19.000 0.624 0.000 0.829 58 A HN 0.410 nan 8.150 nan 0.000 0.442 59 I N 0.252 120.971 120.570 0.249 0.000 2.315 59 I HA -0.159 4.011 4.170 0.000 0.000 0.248 59 I C 1.876 178.042 176.117 0.082 0.000 1.117 59 I CA 1.625 63.039 61.300 0.190 0.000 1.404 59 I CB -1.557 36.605 38.000 0.270 0.000 1.071 59 I HN 0.257 nan 8.210 nan 0.000 0.419 60 D N 0.805 121.256 120.400 0.086 0.000 2.178 60 D HA -0.087 4.554 4.640 0.000 0.000 0.202 60 D C 2.143 178.598 176.300 0.259 0.000 0.974 60 D CA 1.302 55.429 54.000 0.211 0.000 0.841 60 D CB -0.133 40.761 40.800 0.156 0.000 0.953 60 D HN 0.336 nan 8.370 nan 0.000 0.478 61 G N -0.291 108.602 108.800 0.154 0.000 2.939 61 G HA2 -0.012 3.948 3.960 0.000 0.000 0.210 61 G HA3 -0.012 3.948 3.960 0.000 0.000 0.210 61 G C 1.496 176.472 174.900 0.125 0.000 1.160 61 G CA -0.263 44.991 45.100 0.256 0.000 0.770 61 G HN 0.235 nan 8.290 nan 0.000 0.543 62 L N 1.534 122.770 121.223 0.022 0.000 1.956 62 L HA -0.183 4.157 4.340 0.000 0.000 0.216 62 L C 2.835 179.636 176.870 -0.114 0.000 1.073 62 L CA 2.473 57.273 54.840 -0.067 0.000 0.762 62 L CB -0.211 41.832 42.059 -0.027 0.000 0.889 62 L HN 0.385 nan 8.230 nan 0.000 0.433 63 D N -2.182 118.166 120.400 -0.086 0.000 2.218 63 D HA -0.175 4.465 4.640 0.000 0.000 0.204 63 D C 1.786 177.938 176.300 -0.247 0.000 0.976 63 D CA 1.664 55.570 54.000 -0.156 0.000 0.853 63 D CB -0.742 40.005 40.800 -0.089 0.000 0.939 63 D HN 0.279 nan 8.370 nan 0.000 0.481 64 T N 0.257 114.697 114.554 -0.189 0.000 2.777 64 T HA -0.002 4.348 4.350 0.000 0.000 0.266 64 T C 2.145 176.474 174.700 -0.618 0.000 1.040 64 T CA 1.729 63.625 62.100 -0.341 0.000 1.141 64 T CB -0.484 68.273 68.868 -0.186 0.000 0.868 64 T HN 0.394 nan 8.240 nan 0.000 0.444 65 A N 1.126 123.612 122.820 -0.557 0.000 1.933 65 A HA -0.003 4.317 4.320 0.000 0.000 0.218 65 A C 2.287 179.588 177.584 -0.472 0.000 1.175 65 A CA 1.107 52.778 52.037 -0.609 0.000 0.628 65 A CB -0.773 17.995 19.000 -0.387 0.000 0.814 65 A HN 0.517 nan 8.150 nan 0.000 0.444 66 I N -0.244 120.082 120.570 -0.407 0.000 2.179 66 I HA -0.263 3.908 4.170 0.000 0.000 0.242 66 I C 2.338 178.096 176.117 -0.598 0.000 1.088 66 I CA 1.191 62.243 61.300 -0.413 0.000 1.357 66 I CB -0.385 37.379 38.000 -0.394 0.000 1.051 66 I HN 0.292 nan 8.210 nan 0.000 0.409 67 L N -0.306 120.499 121.223 -0.696 0.000 2.079 67 L HA -0.168 4.172 4.340 0.000 0.000 0.210 67 L C 1.544 178.190 176.870 -0.373 0.000 1.081 67 L CA 1.031 55.458 54.840 -0.690 0.000 0.752 67 L CB -0.440 41.352 42.059 -0.446 0.000 0.896 67 L HN 0.267 nan 8.230 nan 0.000 0.433 68 M N -1.383 117.891 119.600 -0.543 0.000 2.012 68 M HA 0.152 4.632 4.480 0.000 0.000 0.248 68 M C 1.684 177.814 176.300 -0.284 0.000 1.238 68 M CA 0.339 55.286 55.300 -0.589 0.000 0.980 68 M CB 0.308 32.371 32.600 -0.896 0.000 1.346 68 M HN -0.036 nan 8.290 nan 0.000 0.511 69 G N -0.348 108.342 108.800 -0.183 0.000 2.432 69 G HA2 -0.115 3.845 3.960 0.000 0.000 0.219 69 G HA3 -0.115 3.845 3.960 0.000 0.000 0.219 69 G C 0.015 174.847 174.900 -0.113 0.000 1.135 69 G CA 0.259 45.309 45.100 -0.082 0.000 0.767 69 G HN 0.769 nan 8.290 nan 0.000 0.550 70 D N 0.797 121.091 120.400 -0.177 0.000 2.854 70 D HA 0.174 4.814 4.640 0.000 0.000 0.243 70 D C 1.011 177.217 176.300 -0.157 0.000 1.243 70 D CA 0.817 54.717 54.000 -0.165 0.000 0.883 70 D CB 0.726 41.383 40.800 -0.239 0.000 1.145 70 D HN 0.253 nan 8.370 nan 0.000 0.555 71 A N 2.337 125.098 122.820 -0.099 0.000 2.312 71 A HA -0.013 4.307 4.320 0.000 0.000 0.215 71 A C 1.656 179.197 177.584 -0.073 0.000 1.256 71 A CA -0.160 51.829 52.037 -0.080 0.000 0.966 71 A CB 0.537 19.514 19.000 -0.040 0.000 1.053 71 A HN 0.314 nan 8.150 nan 0.000 0.510 72 D N 0.244 120.605 120.400 -0.064 0.000 2.249 72 D HA 0.051 4.692 4.640 0.000 0.000 0.205 72 D C 1.676 177.921 176.300 -0.090 0.000 0.962 72 D CA 0.766 54.740 54.000 -0.043 0.000 0.860 72 D CB 0.051 40.848 40.800 -0.003 0.000 0.955 72 D HN 0.473 nan 8.370 nan 0.000 0.505 73 I N -0.212 120.254 120.570 -0.174 0.000 2.406 73 I HA -0.166 4.004 4.170 0.000 0.000 0.249 73 I C 2.312 178.198 176.117 -0.385 0.000 1.122 73 I CA 0.323 61.391 61.300 -0.387 0.000 1.431 73 I CB 0.057 37.703 38.000 -0.590 0.000 1.087 73 I HN -0.122 nan 8.210 nan 0.000 0.424 74 V N 1.051 120.809 119.914 -0.260 0.000 2.295 74 V HA -0.316 3.804 4.120 0.000 0.000 0.246 74 V C 2.214 178.243 176.094 -0.110 0.000 1.049 74 V CA 2.352 64.537 62.300 -0.191 0.000 1.024 74 V CB -0.996 30.739 31.823 -0.147 0.000 0.648 74 V HN 0.550 nan 8.190 nan 0.000 0.447 75 N N -0.199 118.454 118.700 -0.079 0.000 2.166 75 N HA -0.193 4.548 4.740 0.000 0.000 0.186 75 N C 1.767 177.272 175.510 -0.008 0.000 1.019 75 N CA 1.830 54.864 53.050 -0.027 0.000 0.856 75 N CB 0.018 38.496 38.487 -0.015 0.000 0.993 75 N HN 0.517 nan 8.380 nan 0.000 0.426 76 T N 1.348 115.873 114.554 -0.049 0.000 2.708 76 T HA -0.087 4.263 4.350 0.000 0.000 0.266 76 T C 1.965 176.690 174.700 0.042 0.000 1.037 76 T CA 1.179 63.260 62.100 -0.033 0.000 1.146 76 T CB -0.167 68.616 68.868 -0.142 0.000 0.865 76 T HN 0.247 nan 8.240 nan 0.000 0.435 77 I N 0.756 121.326 120.570 0.001 0.000 2.252 77 I HA -0.095 4.076 4.170 0.000 0.000 0.245 77 I C 2.273 178.519 176.117 0.215 0.000 1.102 77 I CA 1.119 62.516 61.300 0.163 0.000 1.385 77 I CB -0.498 37.528 38.000 0.044 0.000 1.064 77 I HN 0.168 nan 8.210 nan 0.000 0.414 78 L N 0.156 121.440 121.223 0.102 0.000 2.187 78 L HA -0.238 4.102 4.340 0.000 0.000 0.213 78 L C 2.586 179.521 176.870 0.109 0.000 1.100 78 L CA 1.111 56.006 54.840 0.091 0.000 0.765 78 L CB -0.467 41.620 42.059 0.047 0.000 0.904 78 L HN 0.288 nan 8.230 nan 0.000 0.437 79 Q N -0.852 119.029 119.800 0.136 0.000 2.172 79 Q HA -0.213 4.127 4.340 0.000 0.000 0.200 79 Q C 1.966 178.085 176.000 0.197 0.000 0.964 79 Q CA 1.505 57.393 55.803 0.141 0.000 0.855 79 Q CB -0.232 28.591 28.738 0.142 0.000 0.918 79 Q HN 0.571 nan 8.270 nan 0.000 0.444 80 Y N -0.974 119.421 120.300 0.157 0.000 2.286 80 Y HA -0.114 4.436 4.550 0.000 0.000 0.293 80 Y C 1.752 177.715 175.900 0.106 0.000 1.124 80 Y CA 0.927 59.137 58.100 0.182 0.000 1.178 80 Y CB 0.028 38.716 38.460 0.380 0.000 1.010 80 Y HN -0.085 nan 8.280 nan 0.000 0.536 81 V N 1.832 121.694 119.914 -0.086 0.000 2.250 81 V HA -0.321 3.799 4.120 0.000 0.000 0.253 81 V C -0.413 175.546 176.094 -0.225 0.000 1.065 81 V CA 2.624 64.814 62.300 -0.183 0.000 1.039 81 V CB -2.005 29.828 31.823 0.016 0.000 0.647 81 V HN 0.354 nan 8.190 nan 0.000 0.446 82 P HA -0.163 nan 4.420 nan 0.000 0.219 82 P C 1.631 178.839 177.300 -0.152 0.000 1.146 82 P CA 1.309 64.348 63.100 -0.102 0.000 0.808 82 P CB -0.078 31.595 31.700 -0.044 0.000 0.779 83 Q N -1.048 118.621 119.800 -0.218 0.000 2.331 83 Q HA 0.052 4.392 4.340 0.000 0.000 0.203 83 Q C 0.707 176.522 176.000 -0.309 0.000 0.944 83 Q CA 0.103 55.782 55.803 -0.208 0.000 0.892 83 Q CB -0.254 28.407 28.738 -0.127 0.000 0.983 83 Q HN 0.298 nan 8.270 nan 0.000 0.482 84 I N 2.275 122.532 120.570 -0.522 0.000 2.775 84 I HA -0.095 4.075 4.170 0.000 0.000 0.290 84 I C 0.429 176.244 176.117 -0.502 0.000 1.203 84 I CA 0.046 60.978 61.300 -0.614 0.000 1.433 84 I CB 0.166 37.589 38.000 -0.961 0.000 1.354 84 I HN 0.083 nan 8.210 nan 0.000 0.579 85 N N 6.240 124.712 118.700 -0.380 0.000 2.707 85 N HA 0.192 4.932 4.740 0.000 0.000 0.235 85 N C -0.035 175.356 175.510 -0.199 0.000 1.028 85 N CA -0.316 52.610 53.050 -0.205 0.000 0.906 85 N CB 0.440 38.903 38.487 -0.041 0.000 1.131 85 N HN 0.364 nan 8.380 nan 0.000 0.509 86 F N 0.499 120.306 119.950 -0.238 0.000 2.804 86 F HA 0.040 4.567 4.527 0.000 0.000 0.303 86 F C 2.316 178.016 175.800 -0.168 0.000 1.154 86 F CA 0.449 58.177 58.000 -0.454 0.000 1.401 86 F CB -0.085 38.558 39.000 -0.596 0.000 1.106 86 F HN 0.421 nan 8.300 nan 0.000 0.568 87 T N -4.998 109.597 114.554 0.068 0.000 3.044 87 T HA 0.154 4.504 4.350 0.000 0.000 0.250 87 T C 0.871 175.627 174.700 0.093 0.000 1.081 87 T CA 0.618 62.695 62.100 -0.038 0.000 1.040 87 T CB 0.111 68.948 68.868 -0.052 0.000 0.962 87 T HN 0.116 nan 8.240 nan 0.000 0.506 88 T N -0.067 114.681 114.554 0.323 0.000 2.654 88 T HA 0.580 4.931 4.350 0.000 0.000 0.289 88 T C -1.751 173.262 174.700 0.522 0.000 1.062 88 T CA -0.371 61.965 62.100 0.393 0.000 1.041 88 T CB 1.817 70.808 68.868 0.206 0.000 1.417 88 T HN 0.132 nan 8.240 nan 0.000 0.510 89 T N 0.214 114.945 114.554 0.296 0.000 2.952 89 T HA 0.632 4.982 4.350 0.000 0.000 0.305 89 T C 1.123 175.837 174.700 0.023 0.000 1.064 89 T CA 0.232 62.382 62.100 0.084 0.000 1.008 89 T CB 1.003 69.859 68.868 -0.021 0.000 1.078 89 T HN 0.790 nan 8.240 nan 0.000 0.459 90 A N 3.859 126.647 122.820 -0.052 0.000 1.892 90 A HA 0.083 4.403 4.320 0.000 0.000 0.218 90 A C 0.941 178.522 177.584 -0.005 0.000 1.188 90 A CA 1.529 53.553 52.037 -0.023 0.000 0.631 90 A CB -0.623 18.352 19.000 -0.042 0.000 0.822 90 A HN 0.690 nan 8.150 nan 0.000 0.447 91 V N 0.137 120.038 119.914 -0.022 0.000 2.465 91 V HA 0.524 4.644 4.120 0.000 0.000 0.279 91 V C 0.700 176.814 176.094 0.032 0.000 1.045 91 V CA -0.621 61.680 62.300 0.003 0.000 0.938 91 V CB 0.691 32.510 31.823 -0.008 0.000 0.986 91 V HN 0.554 nan 8.190 nan 0.000 0.467 92 A N 4.279 127.124 122.820 0.042 0.000 2.407 92 A HA 0.371 4.691 4.320 0.000 0.000 0.248 92 A C 1.040 178.669 177.584 0.076 0.000 1.082 92 A CA -0.178 51.895 52.037 0.060 0.000 0.785 92 A CB -0.274 18.750 19.000 0.041 0.000 1.020 92 A HN 1.033 nan 8.150 nan 0.000 0.489 93 N N -0.315 118.449 118.700 0.106 0.000 2.708 93 N HA -0.169 4.571 4.740 0.000 0.000 0.249 93 N C -0.004 175.684 175.510 0.297 0.000 1.097 93 N CA 1.519 54.640 53.050 0.118 0.000 0.710 93 N CB -0.904 37.571 38.487 -0.019 0.000 1.032 93 N HN 0.918 nan 8.380 nan 0.000 0.551 94 Q N 0.382 120.344 119.800 0.271 0.000 2.267 94 Q HA 0.437 4.778 4.340 0.000 0.000 0.255 94 Q C 0.650 176.691 176.000 0.070 0.000 0.923 94 Q CA -0.286 55.616 55.803 0.164 0.000 0.925 94 Q CB 0.753 29.496 28.738 0.008 0.000 1.195 94 Q HN 0.322 nan 8.270 nan 0.000 0.417 95 G N 2.230 110.979 108.800 -0.085 0.000 2.442 95 G HA2 0.278 4.238 3.960 0.000 0.000 0.249 95 G HA3 0.278 4.238 3.960 0.000 0.000 0.249 95 G C -0.842 173.801 174.900 -0.428 0.000 1.263 95 G CA -0.337 44.399 45.100 -0.608 0.000 0.846 95 G HN 0.562 nan 8.290 nan 0.000 0.555 96 S N -0.032 115.359 115.700 -0.515 0.000 2.519 96 S HA 0.435 4.905 4.470 0.000 0.000 0.309 96 S C 0.091 174.588 174.600 -0.172 0.000 1.100 96 S CA -0.560 57.469 58.200 -0.285 0.000 1.059 96 S CB 1.717 64.719 63.200 -0.329 0.000 1.008 96 S HN 0.750 nan 8.310 nan 0.000 0.478 97 S N 2.823 118.504 115.700 -0.033 0.000 2.455 97 S HA 0.188 4.658 4.470 0.000 0.000 0.278 97 S C 1.328 175.985 174.600 0.095 0.000 1.216 97 S CA -0.758 57.465 58.200 0.038 0.000 1.055 97 S CB 0.085 63.350 63.200 0.109 0.000 0.939 97 S HN 0.480 nan 8.310 nan 0.000 0.494 98 V N 6.645 126.601 119.914 0.070 0.000 2.295 98 V HA -0.116 4.004 4.120 0.000 0.000 0.246 98 V C 1.845 178.049 176.094 0.184 0.000 1.049 98 V CA 2.227 64.590 62.300 0.105 0.000 1.024 98 V CB -1.170 30.653 31.823 0.000 0.000 0.648 98 V HN 0.946 nan 8.190 nan 0.000 0.447 99 F N 1.475 121.450 119.950 0.041 0.000 2.051 99 F HA -0.158 4.369 4.527 0.000 0.000 0.296 99 F C 2.559 178.430 175.800 0.118 0.000 1.122 99 F CA 2.068 60.105 58.000 0.061 0.000 1.201 99 F CB -0.462 38.546 39.000 0.012 0.000 0.978 99 F HN 0.096 nan 8.300 nan 0.000 0.472 100 E N 0.051 120.231 120.200 -0.033 0.000 2.070 100 E HA -0.198 4.152 4.350 0.000 0.000 0.197 100 E C 2.255 178.864 176.600 0.015 0.000 1.004 100 E CA 2.113 58.450 56.400 -0.105 0.000 0.805 100 E CB -1.146 28.622 29.700 0.114 0.000 0.744 100 E HN 0.440 nan 8.360 nan 0.000 0.451 101 T N 1.308 115.974 114.554 0.186 0.000 2.788 101 T HA -0.152 4.198 4.350 0.000 0.000 0.268 101 T C 1.763 176.631 174.700 0.280 0.000 1.044 101 T CA 1.483 63.814 62.100 0.385 0.000 1.139 101 T CB -0.325 68.790 68.868 0.412 0.000 0.867 101 T HN 0.179 nan 8.240 nan 0.000 0.454 102 N N 1.677 120.491 118.700 0.191 0.000 2.058 102 N HA -0.084 4.657 4.740 0.000 0.000 0.191 102 N C 1.897 177.513 175.510 0.176 0.000 1.037 102 N CA 1.632 54.820 53.050 0.231 0.000 0.848 102 N CB -0.403 38.268 38.487 0.307 0.000 1.021 102 N HN 0.600 nan 8.380 nan 0.000 0.422 103 I N -2.610 117.972 120.570 0.020 0.000 2.546 103 I HA -0.055 4.115 4.170 0.000 0.000 0.255 103 I C 2.183 178.388 176.117 0.147 0.000 1.163 103 I CA 0.886 62.217 61.300 0.051 0.000 1.457 103 I CB -0.201 37.676 38.000 -0.205 0.000 1.092 103 I HN 0.078 nan 8.210 nan 0.000 0.434 104 R N 0.191 120.730 120.500 0.066 0.000 2.046 104 R HA 0.049 4.389 4.340 0.000 0.000 0.223 104 R C 2.306 178.604 176.300 -0.003 0.000 1.179 104 R CA 1.640 57.764 56.100 0.040 0.000 0.952 104 R CB -0.547 29.647 30.300 -0.178 0.000 0.843 104 R HN 0.324 nan 8.270 nan 0.000 0.439 105 Y N 0.509 120.885 120.300 0.127 0.000 2.130 105 Y HA -0.184 4.366 4.550 0.000 0.000 0.287 105 Y C 2.267 178.113 175.900 -0.091 0.000 1.124 105 Y CA 0.640 58.760 58.100 0.034 0.000 1.118 105 Y CB -0.410 38.048 38.460 -0.002 0.000 0.994 105 Y HN -0.000 nan 8.280 nan 0.000 0.497 106 L N 0.250 121.515 121.223 0.069 0.000 1.990 106 L HA -0.174 4.167 4.340 0.000 0.000 0.213 106 L C 2.463 179.353 176.870 0.033 0.000 1.072 106 L CA 2.299 57.104 54.840 -0.058 0.000 0.755 106 L CB -1.291 40.747 42.059 -0.034 0.000 0.889 106 L HN 0.305 nan 8.230 nan 0.000 0.432 107 G N -1.713 107.214 108.800 0.210 0.000 2.418 107 G HA2 -0.195 3.766 3.960 0.000 0.000 0.217 107 G HA3 -0.195 3.766 3.960 0.000 0.000 0.217 107 G C 1.541 176.484 174.900 0.073 0.000 1.158 107 G CA 0.598 45.971 45.100 0.455 0.000 0.771 107 G HN 0.583 nan 8.290 nan 0.000 0.545 108 G N 0.456 109.029 108.800 -0.378 0.000 2.432 108 G HA2 -0.075 3.885 3.960 0.000 0.000 0.219 108 G HA3 -0.075 3.885 3.960 0.000 0.000 0.219 108 G C 1.675 176.440 174.900 -0.225 0.000 1.135 108 G CA 0.754 45.395 45.100 -0.764 0.000 0.767 108 G HN 0.320 nan 8.290 nan 0.000 0.550 109 L N 0.174 121.347 121.223 -0.083 0.000 2.044 109 L HA 0.210 4.550 4.340 0.000 0.000 0.205 109 L C 2.873 179.736 176.870 -0.011 0.000 1.075 109 L CA 0.975 55.791 54.840 -0.040 0.000 0.747 109 L CB -0.723 41.279 42.059 -0.095 0.000 0.903 109 L HN 0.159 nan 8.230 nan 0.000 0.435 110 L N -1.074 120.136 121.223 -0.023 0.000 2.093 110 L HA -0.185 4.155 4.340 0.000 0.000 0.208 110 L C 2.660 179.647 176.870 0.195 0.000 1.085 110 L CA 1.371 56.188 54.840 -0.037 0.000 0.755 110 L CB -0.676 41.138 42.059 -0.408 0.000 0.904 110 L HN 0.426 nan 8.230 nan 0.000 0.435 111 S N 0.328 116.265 115.700 0.395 0.000 2.356 111 S HA -0.178 4.292 4.470 0.000 0.000 0.223 111 S C 2.211 176.910 174.600 0.166 0.000 1.032 111 S CA 0.875 59.302 58.200 0.379 0.000 1.005 111 S CB -0.530 62.793 63.200 0.205 0.000 0.867 111 S HN 0.331 nan 8.310 nan 0.000 0.449 112 A N 0.607 123.475 122.820 0.080 0.000 1.940 112 A HA -0.051 4.269 4.320 0.000 0.000 0.219 112 A C 2.079 179.726 177.584 0.106 0.000 1.176 112 A CA 1.663 53.725 52.037 0.042 0.000 0.631 112 A CB -1.253 17.758 19.000 0.019 0.000 0.814 112 A HN 0.683 nan 8.150 nan 0.000 0.446 113 Y N 1.130 121.440 120.300 0.016 0.000 2.114 113 Y HA -0.199 4.351 4.550 0.000 0.000 0.284 113 Y C 1.905 177.842 175.900 0.061 0.000 1.143 113 Y CA 2.013 60.123 58.100 0.017 0.000 1.135 113 Y CB -0.304 38.143 38.460 -0.020 0.000 0.980 113 Y HN 0.349 nan 8.280 nan 0.000 0.499 114 D N 0.049 120.515 120.400 0.110 0.000 2.144 114 D HA -0.181 4.459 4.640 0.000 0.000 0.199 114 D C 2.323 178.714 176.300 0.151 0.000 0.984 114 D CA 1.469 55.533 54.000 0.107 0.000 0.834 114 D CB -0.339 40.656 40.800 0.324 0.000 0.955 114 D HN 0.401 nan 8.370 nan 0.000 0.465 115 L N 0.011 121.314 121.223 0.134 0.000 2.044 115 L HA -0.069 4.272 4.340 0.000 0.000 0.205 115 L C 2.362 179.310 176.870 0.131 0.000 1.075 115 L CA 0.637 55.562 54.840 0.143 0.000 0.747 115 L CB -0.314 41.738 42.059 -0.013 0.000 0.903 115 L HN 0.013 nan 8.230 nan 0.000 0.435 116 L N -0.629 120.612 121.223 0.030 0.000 2.551 116 L HA -0.076 4.264 4.340 0.000 0.000 0.228 116 L C 2.220 179.046 176.870 -0.073 0.000 1.153 116 L CA 0.531 55.372 54.840 0.002 0.000 0.851 116 L CB -0.309 41.745 42.059 -0.008 0.000 0.959 116 L HN 0.224 nan 8.230 nan 0.000 0.451 117 R N -0.701 119.708 120.500 -0.152 0.000 2.397 117 R HA 0.200 4.540 4.340 0.000 0.000 0.241 117 R C 0.840 177.086 176.300 -0.091 0.000 0.914 117 R CA 0.460 56.433 56.100 -0.212 0.000 1.071 117 R CB 1.048 31.055 30.300 -0.489 0.000 1.116 117 R HN 0.350 nan 8.270 nan 0.000 0.524 118 G N 0.853 109.652 108.800 -0.001 0.000 3.190 118 G HA2 0.074 4.034 3.960 0.000 0.000 0.191 118 G HA3 0.074 4.034 3.960 0.000 0.000 0.191 118 G C -1.942 172.972 174.900 0.023 0.000 1.523 118 G CA -0.165 44.960 45.100 0.042 0.000 0.842 118 G HN -0.104 nan 8.290 nan 0.000 0.782 119 P HA 0.040 nan 4.420 nan 0.000 0.234 119 P C -0.403 176.536 177.300 -0.602 0.000 1.162 119 P CA 0.962 63.928 63.100 -0.222 0.000 0.759 119 P CB -0.072 31.533 31.700 -0.160 0.000 0.813 120 F N -1.127 118.804 119.950 -0.032 0.000 2.677 120 F HA 0.243 4.771 4.527 0.000 0.000 0.388 120 F C 1.662 177.433 175.800 -0.047 0.000 1.400 120 F CA -0.241 57.729 58.000 -0.050 0.000 1.162 120 F CB -0.011 38.943 39.000 -0.077 0.000 1.135 120 F HN -0.286 nan 8.300 nan 0.000 0.516 121 S N -0.222 115.502 115.700 0.041 0.000 2.368 121 S HA -0.194 4.276 4.470 0.000 0.000 0.225 121 S C 2.225 176.838 174.600 0.022 0.000 1.030 121 S CA 1.685 59.895 58.200 0.017 0.000 0.999 121 S CB -0.298 62.892 63.200 -0.016 0.000 0.844 121 S HN 0.541 nan 8.310 nan 0.000 0.459 122 S N 1.061 116.770 115.700 0.016 0.000 2.584 122 S HA 0.068 4.538 4.470 0.000 0.000 0.240 122 S C 1.286 175.906 174.600 0.032 0.000 0.975 122 S CA 0.520 58.730 58.200 0.016 0.000 0.949 122 S CB -0.413 62.790 63.200 0.004 0.000 0.761 122 S HN 0.365 nan 8.310 nan 0.000 0.536 123 L N 0.664 121.920 121.223 0.055 0.000 2.607 123 L HA 0.495 4.835 4.340 0.000 0.000 0.228 123 L C 0.711 177.587 176.870 0.011 0.000 1.123 123 L CA 0.352 55.215 54.840 0.037 0.000 0.890 123 L CB 0.255 42.347 42.059 0.054 0.000 1.103 123 L HN 0.466 nan 8.230 nan 0.000 0.468 124 A N -1.907 120.922 122.820 0.015 0.000 2.442 124 A HA 0.523 4.843 4.320 0.000 0.000 0.284 124 A C 0.305 177.895 177.584 0.011 0.000 1.058 124 A CA -0.382 51.661 52.037 0.010 0.000 0.738 124 A CB 0.865 19.872 19.000 0.012 0.000 1.242 124 A HN 0.021 nan 8.150 nan 0.000 0.421 125 T N 0.672 115.232 114.554 0.010 0.000 3.033 125 T HA 0.044 4.394 4.350 0.000 0.000 0.248 125 T C 0.979 175.687 174.700 0.013 0.000 1.040 125 T CA 0.500 62.606 62.100 0.010 0.000 1.133 125 T CB -0.100 68.773 68.868 0.009 0.000 0.895 125 T HN 0.592 nan 8.240 nan 0.000 0.465 126 N N 2.861 121.571 118.700 0.017 0.000 2.421 126 N HA 0.016 4.756 4.740 0.000 0.000 0.260 126 N C 0.793 176.318 175.510 0.025 0.000 1.173 126 N CA -0.009 53.053 53.050 0.020 0.000 0.960 126 N CB 0.664 39.165 38.487 0.023 0.000 1.273 126 N HN 0.147 nan 8.380 nan 0.000 0.497 127 Q N 1.544 121.358 119.800 0.024 0.000 2.500 127 Q HA -0.037 4.303 4.340 0.000 0.000 0.213 127 Q C 0.953 176.978 176.000 0.042 0.000 0.974 127 Q CA 0.799 56.621 55.803 0.032 0.000 0.918 127 Q CB -0.014 28.739 28.738 0.025 0.000 0.980 127 Q HN 0.574 nan 8.270 nan 0.000 0.505 128 T N 0.556 115.129 114.554 0.032 0.000 2.896 128 T HA -0.032 4.318 4.350 0.000 0.000 0.263 128 T C 1.741 176.461 174.700 0.033 0.000 1.050 128 T CA 0.354 62.471 62.100 0.029 0.000 1.140 128 T CB 0.077 68.956 68.868 0.019 0.000 0.877 128 T HN 0.076 nan 8.240 nan 0.000 0.457 129 L N 1.032 122.278 121.223 0.037 0.000 2.056 129 L HA 0.010 4.350 4.340 0.000 0.000 0.207 129 L C 2.604 179.511 176.870 0.062 0.000 1.078 129 L CA 1.101 55.965 54.840 0.041 0.000 0.749 129 L CB -1.072 41.012 42.059 0.041 0.000 0.901 129 L HN 0.117 nan 8.230 nan 0.000 0.433 130 V N -0.074 119.889 119.914 0.081 0.000 2.332 130 V HA -0.299 3.821 4.120 0.000 0.000 0.248 130 V C 2.141 178.365 176.094 0.218 0.000 1.055 130 V CA 1.868 64.254 62.300 0.144 0.000 1.038 130 V CB -0.786 31.104 31.823 0.111 0.000 0.651 130 V HN 0.468 nan 8.190 nan 0.000 0.450 131 N N -0.103 118.687 118.700 0.149 0.000 2.381 131 N HA -0.112 4.628 4.740 0.000 0.000 0.182 131 N C 1.951 177.448 175.510 -0.021 0.000 1.025 131 N CA 1.279 54.385 53.050 0.093 0.000 0.888 131 N CB -0.323 38.200 38.487 0.060 0.000 0.965 131 N HN 0.315 nan 8.380 nan 0.000 0.438 132 S N 0.144 115.844 115.700 0.000 0.000 2.447 132 S HA 0.043 4.513 4.470 0.000 0.000 0.233 132 S C 1.604 176.170 174.600 -0.057 0.000 1.006 132 S CA 0.343 58.525 58.200 -0.030 0.000 0.957 132 S CB -0.025 63.170 63.200 -0.008 0.000 0.773 132 S HN 0.192 nan 8.310 nan 0.000 0.507 133 L N 0.761 121.959 121.223 -0.040 0.000 1.994 133 L HA -0.054 4.287 4.340 0.000 0.000 0.208 133 L C 2.274 179.002 176.870 -0.236 0.000 1.071 133 L CA 1.541 56.339 54.840 -0.071 0.000 0.745 133 L CB -1.535 40.549 42.059 0.043 0.000 0.892 133 L HN 0.353 nan 8.230 nan 0.000 0.431 134 L N -0.499 120.458 121.223 -0.444 0.000 2.093 134 L HA -0.123 4.217 4.340 0.000 0.000 0.208 134 L C 2.787 179.447 176.870 -0.350 0.000 1.085 134 L CA 1.446 55.955 54.840 -0.552 0.000 0.755 134 L CB -0.545 40.999 42.059 -0.858 0.000 0.904 134 L HN 0.139 nan 8.230 nan 0.000 0.435 135 R N -0.592 119.760 120.500 -0.247 0.000 2.070 135 R HA -0.106 4.234 4.340 0.000 0.000 0.233 135 R C 2.155 178.351 176.300 -0.174 0.000 1.137 135 R CA 1.348 57.343 56.100 -0.175 0.000 0.945 135 R CB -0.802 29.430 30.300 -0.113 0.000 0.845 135 R HN 0.492 nan 8.270 nan 0.000 0.430 136 Q N 0.208 119.925 119.800 -0.138 0.000 2.124 136 Q HA -0.061 4.279 4.340 0.000 0.000 0.202 136 Q C 2.082 177.883 176.000 -0.332 0.000 0.977 136 Q CA 1.594 57.341 55.803 -0.093 0.000 0.850 136 Q CB -0.347 28.442 28.738 0.085 0.000 0.901 136 Q HN 0.315 nan 8.270 nan 0.000 0.429 137 A N 0.957 123.553 122.820 -0.374 0.000 1.908 137 A HA -0.267 4.054 4.320 0.000 0.000 0.218 137 A C 2.080 179.343 177.584 -0.535 0.000 1.181 137 A CA 1.896 53.641 52.037 -0.488 0.000 0.627 137 A CB -0.614 18.133 19.000 -0.422 0.000 0.818 137 A HN 0.455 nan 8.150 nan 0.000 0.445 138 Q N -1.060 118.469 119.800 -0.452 0.000 2.123 138 Q HA -0.121 4.220 4.340 0.000 0.000 0.199 138 Q C 1.946 177.739 176.000 -0.346 0.000 0.966 138 Q CA 1.832 57.358 55.803 -0.462 0.000 0.845 138 Q CB -0.260 28.299 28.738 -0.300 0.000 0.907 138 Q HN 0.562 nan 8.270 nan 0.000 0.439 139 T N 1.696 116.089 114.554 -0.268 0.000 2.746 139 T HA -0.136 4.214 4.350 0.000 0.000 0.267 139 T C 1.704 176.257 174.700 -0.244 0.000 1.039 139 T CA 1.073 63.057 62.100 -0.195 0.000 1.142 139 T CB -0.223 68.573 68.868 -0.120 0.000 0.866 139 T HN 0.294 nan 8.240 nan 0.000 0.444 140 L N 0.694 121.683 121.223 -0.390 0.000 1.994 140 L HA -0.128 4.213 4.340 0.000 0.000 0.208 140 L C 2.836 179.552 176.870 -0.257 0.000 1.071 140 L CA 1.735 56.307 54.840 -0.447 0.000 0.745 140 L CB -0.679 40.842 42.059 -0.896 0.000 0.892 140 L HN 0.290 nan 8.230 nan 0.000 0.431 141 A N -0.150 122.435 122.820 -0.392 0.000 1.978 141 A HA -0.249 4.071 4.320 0.000 0.000 0.220 141 A C 1.865 179.400 177.584 -0.081 0.000 1.170 141 A CA 1.888 53.687 52.037 -0.397 0.000 0.636 141 A CB -0.704 17.641 19.000 -1.092 0.000 0.810 141 A HN 0.576 nan 8.150 nan 0.000 0.448 142 N N -0.034 118.613 118.700 -0.089 0.000 2.289 142 N HA -0.110 4.630 4.740 0.000 0.000 0.184 142 N C 1.683 177.219 175.510 0.043 0.000 1.016 142 N CA 1.363 54.443 53.050 0.049 0.000 0.872 142 N CB -0.413 38.070 38.487 -0.007 0.000 0.973 142 N HN 0.532 nan 8.380 nan 0.000 0.433 143 G N -0.080 108.695 108.800 -0.042 0.000 2.441 143 G HA2 -0.045 3.916 3.960 0.000 0.000 0.212 143 G HA3 -0.045 3.916 3.960 0.000 0.000 0.212 143 G C 1.489 176.606 174.900 0.361 0.000 1.164 143 G CA -0.044 44.960 45.100 -0.160 0.000 0.811 143 G HN 0.108 nan 8.290 nan 0.000 0.535 144 L N 1.723 123.244 121.223 0.497 0.000 2.131 144 L HA -0.004 4.336 4.340 0.000 0.000 0.210 144 L C 2.855 180.061 176.870 0.560 0.000 1.092 144 L CA 1.809 56.981 54.840 0.553 0.000 0.759 144 L CB -0.463 41.930 42.059 0.557 0.000 0.903 144 L HN 0.460 nan 8.230 nan 0.000 0.435 145 K N -1.117 119.690 120.400 0.678 0.000 2.286 145 K HA -0.186 4.134 4.320 0.000 0.000 0.203 145 K C 1.915 178.836 176.600 0.535 0.000 1.045 145 K CA 1.530 58.288 56.287 0.784 0.000 0.935 145 K CB -0.994 31.889 32.500 0.637 0.000 0.737 145 K HN 0.196 nan 8.250 nan 0.000 0.460 146 V N 1.350 121.484 119.914 0.366 0.000 2.828 146 V HA -0.178 3.943 4.120 0.000 0.000 0.260 146 V C 2.334 178.539 176.094 0.185 0.000 1.101 146 V CA 1.757 64.215 62.300 0.264 0.000 1.123 146 V CB -0.592 31.380 31.823 0.248 0.000 0.704 146 V HN 0.543 nan 8.190 nan 0.000 0.493 147 A N -0.860 122.021 122.820 0.101 0.000 2.070 147 A HA -0.094 4.226 4.320 0.000 0.000 0.220 147 A C 1.729 179.178 177.584 -0.226 0.000 1.159 147 A CA 1.606 53.568 52.037 -0.125 0.000 0.656 147 A CB -0.679 18.135 19.000 -0.310 0.000 0.800 147 A HN 0.630 nan 8.150 nan 0.000 0.453 148 F N 0.258 120.236 119.950 0.048 0.000 2.797 148 F HA 0.028 4.555 4.527 0.000 0.000 0.302 148 F C 2.008 177.835 175.800 0.045 0.000 1.130 148 F CA 0.992 59.008 58.000 0.026 0.000 1.387 148 F CB -0.144 38.871 39.000 0.025 0.000 1.107 148 F HN 0.214 nan 8.300 nan 0.000 0.577 149 T N -1.684 112.989 114.554 0.198 0.000 3.658 149 T HA 0.032 4.382 4.350 0.000 0.000 0.250 149 T C 0.696 175.450 174.700 0.091 0.000 1.060 149 T CA -0.003 62.182 62.100 0.142 0.000 0.962 149 T CB -1.594 67.350 68.868 0.127 0.000 1.075 149 T HN 0.168 nan 8.240 nan 0.000 0.610 150 T N -1.435 113.165 114.554 0.076 0.000 2.847 150 T HA 0.403 4.753 4.350 0.000 0.000 0.279 150 T C -1.685 173.037 174.700 0.037 0.000 0.984 150 T CA -1.776 60.343 62.100 0.031 0.000 0.988 150 T CB 1.008 69.869 68.868 -0.012 0.000 1.040 150 T HN -0.131 nan 8.240 nan 0.000 0.528 151 P HA -0.086 nan 4.420 nan 0.000 0.215 151 P C 1.821 179.138 177.300 0.028 0.000 1.153 151 P CA 1.293 64.404 63.100 0.020 0.000 0.853 151 P CB -0.022 31.679 31.700 0.002 0.000 0.788 152 S N -2.641 113.049 115.700 -0.016 0.000 2.458 152 S HA 0.260 4.730 4.470 0.000 0.000 0.223 152 S C 1.753 176.402 174.600 0.080 0.000 1.019 152 S CA 0.890 59.074 58.200 -0.025 0.000 0.937 152 S CB -0.612 62.407 63.200 -0.301 0.000 0.788 152 S HN 0.273 nan 8.310 nan 0.000 0.511 153 G N 0.293 109.133 108.800 0.067 0.000 2.231 153 G HA2 -0.193 3.767 3.960 0.000 0.000 0.206 153 G HA3 -0.193 3.767 3.960 0.000 0.000 0.206 153 G C 0.015 175.029 174.900 0.190 0.000 0.996 153 G CA -0.166 45.046 45.100 0.186 0.000 0.645 153 G HN 0.648 nan 8.290 nan 0.000 0.498 154 V N 4.321 124.227 119.914 -0.014 0.000 2.529 154 V HA 0.323 4.443 4.120 0.000 0.000 0.292 154 V C -1.009 175.032 176.094 -0.088 0.000 1.028 154 V CA -0.645 61.617 62.300 -0.062 0.000 1.074 154 V CB 0.938 32.608 31.823 -0.255 0.000 0.958 154 V HN 0.319 nan 8.190 nan 0.000 0.481 155 P HA -0.019 nan 4.420 nan 0.000 0.265 155 P C -0.547 176.589 177.300 -0.273 0.000 1.193 155 P CA -0.034 62.806 63.100 -0.434 0.000 0.765 155 P CB 0.635 31.896 31.700 -0.731 0.000 0.823 156 D N 5.068 125.324 120.400 -0.239 0.000 2.348 156 D HA 0.062 4.702 4.640 0.000 0.000 0.253 156 D C -1.101 175.108 176.300 -0.152 0.000 1.161 156 D CA -2.243 51.670 54.000 -0.144 0.000 0.876 156 D CB 0.922 41.673 40.800 -0.080 0.000 1.160 156 D HN 0.213 nan 8.370 nan 0.000 0.459 157 P HA -0.075 nan 4.420 nan 0.000 0.221 157 P C -0.058 177.194 177.300 -0.081 0.000 1.145 157 P CA 0.699 63.745 63.100 -0.089 0.000 0.795 157 P CB 0.344 32.002 31.700 -0.072 0.000 0.775 158 T N 0.430 114.925 114.554 -0.099 0.000 2.886 158 T HA 0.484 4.834 4.350 0.000 0.000 0.292 158 T C -0.291 174.285 174.700 -0.206 0.000 1.012 158 T CA -0.565 61.431 62.100 -0.173 0.000 0.982 158 T CB 2.431 71.179 68.868 -0.200 0.000 1.018 158 T HN -0.109 nan 8.240 nan 0.000 0.451 159 V N -0.221 119.491 119.914 -0.336 0.000 3.141 159 V HA 0.952 5.072 4.120 0.000 0.000 0.312 159 V C -1.686 174.070 176.094 -0.564 0.000 1.157 159 V CA -1.229 60.937 62.300 -0.225 0.000 1.041 159 V CB 1.771 33.592 31.823 -0.004 0.000 1.071 159 V HN 0.744 nan 8.190 nan 0.000 0.441 160 F N -0.315 119.645 119.950 0.016 0.000 2.588 160 F HA 0.707 5.234 4.527 0.000 0.000 0.314 160 F C 0.389 176.370 175.800 0.302 0.000 1.069 160 F CA -0.717 57.297 58.000 0.023 0.000 0.931 160 F CB 2.103 41.139 39.000 0.060 0.000 1.260 160 F HN 0.444 nan 8.300 nan 0.000 0.465 161 F N -0.660 119.465 119.950 0.291 0.000 2.577 161 F HA 0.161 4.689 4.527 0.000 0.000 0.276 161 F C 0.682 176.587 175.800 0.175 0.000 1.032 161 F CA -0.314 57.819 58.000 0.221 0.000 1.297 161 F CB 0.549 39.694 39.000 0.242 0.000 1.061 161 F HN 0.411 nan 8.300 nan 0.000 0.680 162 N N 1.862 120.783 118.700 0.368 0.000 2.425 162 N HA 0.176 4.916 4.740 0.000 0.000 0.268 162 N C -2.323 173.290 175.510 0.171 0.000 0.991 162 N CA -1.734 51.449 53.050 0.221 0.000 0.931 162 N CB 2.005 40.600 38.487 0.180 0.000 1.130 162 N HN -0.194 nan 8.380 nan 0.000 0.493 163 P HA -0.034 nan 4.420 nan 0.000 0.215 163 P C 0.163 177.529 177.300 0.110 0.000 1.157 163 P CA 1.109 64.264 63.100 0.091 0.000 0.859 163 P CB 0.167 31.896 31.700 0.049 0.000 0.786 164 T N -4.271 110.358 114.554 0.125 0.000 2.883 164 T HA 0.538 4.888 4.350 0.000 0.000 0.284 164 T C -0.458 174.372 174.700 0.216 0.000 1.041 164 T CA -0.911 61.268 62.100 0.131 0.000 1.007 164 T CB 0.972 69.892 68.868 0.087 0.000 1.220 164 T HN -0.311 nan 8.240 nan 0.000 0.552 165 V N 3.091 123.121 119.914 0.193 0.000 2.383 165 V HA 0.763 4.884 4.120 0.000 0.000 0.275 165 V C 0.110 176.355 176.094 0.251 0.000 1.036 165 V CA -0.540 61.930 62.300 0.283 0.000 0.889 165 V CB 0.304 32.221 31.823 0.158 0.000 0.985 165 V HN 1.121 nan 8.190 nan 0.000 0.459 166 R N 4.245 124.936 120.500 0.319 0.000 2.728 166 R HA 0.470 4.810 4.340 0.000 0.000 0.274 166 R C -1.145 175.332 176.300 0.294 0.000 1.032 166 R CA -0.991 55.258 56.100 0.248 0.000 0.866 166 R CB 1.263 31.665 30.300 0.170 0.000 1.263 166 R HN 0.506 nan 8.270 nan 0.000 0.475 167 R N 0.072 120.697 120.500 0.209 0.000 2.707 167 R HA 0.129 4.469 4.340 0.000 0.000 0.270 167 R C 1.364 177.818 176.300 0.257 0.000 1.083 167 R CA 0.746 56.953 56.100 0.179 0.000 1.182 167 R CB 0.643 31.004 30.300 0.101 0.000 1.084 167 R HN 0.903 nan 8.270 nan 0.000 0.528 168 S N 0.056 115.902 115.700 0.243 0.000 2.414 168 S HA 0.037 4.507 4.470 0.000 0.000 0.227 168 S C 1.324 176.018 174.600 0.157 0.000 1.022 168 S CA 0.665 59.074 58.200 0.349 0.000 0.958 168 S CB 0.325 63.680 63.200 0.258 0.000 0.797 168 S HN 0.945 nan 8.310 nan 0.000 0.493 169 G N 0.738 109.589 108.800 0.085 0.000 2.168 169 G HA2 0.049 4.009 3.960 0.000 0.000 0.197 169 G HA3 0.049 4.009 3.960 0.000 0.000 0.197 169 G C 0.209 175.113 174.900 0.008 0.000 0.997 169 G CA -0.115 45.008 45.100 0.037 0.000 0.658 169 G HN 1.237 nan 8.290 nan 0.000 0.513 170 A N 0.685 123.506 122.820 0.001 0.000 2.540 170 A HA 0.565 4.885 4.320 0.000 0.000 0.239 170 A C 1.601 179.152 177.584 -0.055 0.000 1.061 170 A CA 1.387 53.404 52.037 -0.033 0.000 0.758 170 A CB 0.276 19.248 19.000 -0.047 0.000 0.991 170 A HN 1.720 nan 8.150 nan 0.000 0.502 171 S N 0.738 116.396 115.700 -0.069 0.000 2.575 171 S HA 0.397 4.867 4.470 0.000 0.000 0.215 171 S C 0.493 175.029 174.600 -0.106 0.000 0.966 171 S CA 0.405 58.558 58.200 -0.079 0.000 0.911 171 S CB -0.224 62.933 63.200 -0.072 0.000 0.780 171 S HN 1.133 nan 8.310 nan 0.000 0.514 172 S N 0.373 116.002 115.700 -0.119 0.000 2.567 172 S HA 0.665 5.135 4.470 0.000 0.000 0.270 172 S C -2.059 172.464 174.600 -0.127 0.000 1.152 172 S CA -0.671 57.446 58.200 -0.138 0.000 0.835 172 S CB 1.687 64.782 63.200 -0.175 0.000 1.115 172 S HN 0.360 nan 8.310 nan 0.000 0.459 173 N N 1.364 120.001 118.700 -0.104 0.000 2.708 173 N HA 0.410 5.150 4.740 0.000 0.000 0.257 173 N C -1.777 173.735 175.510 0.003 0.000 1.373 173 N CA -0.607 52.399 53.050 -0.074 0.000 0.843 173 N CB 1.627 40.042 38.487 -0.120 0.000 1.503 173 N HN 0.841 nan 8.380 nan 0.000 0.504 174 N N 0.283 118.989 118.700 0.010 0.000 2.489 174 N HA 0.174 4.915 4.740 0.000 0.000 0.284 174 N C 0.789 176.166 175.510 -0.222 0.000 1.158 174 N CA -0.458 52.564 53.050 -0.047 0.000 0.965 174 N CB 1.361 39.817 38.487 -0.052 0.000 1.195 174 N HN 0.213 nan 8.380 nan 0.000 0.506 175 V N 1.049 120.772 119.914 -0.317 0.000 2.380 175 V HA -0.288 3.832 4.120 0.000 0.000 0.251 175 V C 2.551 178.464 176.094 -0.302 0.000 1.063 175 V CA 2.571 64.637 62.300 -0.389 0.000 1.055 175 V CB -1.241 30.263 31.823 -0.532 0.000 0.657 175 V HN 0.896 nan 8.190 nan 0.000 0.455 176 A N -0.375 122.255 122.820 -0.316 0.000 1.897 176 A HA -0.174 4.146 4.320 0.000 0.000 0.215 176 A C 2.161 179.484 177.584 -0.435 0.000 1.181 176 A CA 1.510 53.344 52.037 -0.339 0.000 0.620 176 A CB -0.355 18.390 19.000 -0.426 0.000 0.821 176 A HN 0.627 nan 8.150 nan 0.000 0.443 177 E N -0.549 119.363 120.200 -0.480 0.000 2.358 177 E HA 0.002 4.352 4.350 0.000 0.000 0.195 177 E C 1.632 178.168 176.600 -0.106 0.000 1.010 177 E CA 0.612 56.776 56.400 -0.394 0.000 0.856 177 E CB -0.108 29.402 29.700 -0.316 0.000 0.795 177 E HN 0.697 nan 8.360 nan 0.000 0.504 178 I N 0.310 120.807 120.570 -0.121 0.000 2.429 178 I HA -0.038 4.132 4.170 0.000 0.000 0.247 178 I C 2.195 178.345 176.117 0.054 0.000 1.099 178 I CA 0.813 62.080 61.300 -0.055 0.000 1.422 178 I CB 0.006 37.947 38.000 -0.099 0.000 1.112 178 I HN 0.044 nan 8.210 nan 0.000 0.430 179 G N -0.487 108.359 108.800 0.077 0.000 3.262 179 G HA2 0.008 3.969 3.960 0.000 0.000 0.228 179 G HA3 0.008 3.969 3.960 0.000 0.000 0.228 179 G C 0.804 175.815 174.900 0.184 0.000 1.197 179 G CA 0.033 45.284 45.100 0.252 0.000 0.819 179 G HN 0.247 nan 8.290 nan 0.000 0.531 180 S N -0.078 115.680 115.700 0.097 0.000 2.651 180 S HA 0.324 4.795 4.470 0.000 0.000 0.246 180 S C 1.257 176.046 174.600 0.316 0.000 1.039 180 S CA -0.386 57.782 58.200 -0.054 0.000 1.013 180 S CB 0.191 63.402 63.200 0.018 0.000 0.861 180 S HN 0.303 nan 8.310 nan 0.000 0.485 181 L N -0.857 120.574 121.223 0.348 0.000 2.653 181 L HA 0.293 4.633 4.340 0.000 0.000 0.230 181 L C 2.151 179.240 176.870 0.364 0.000 1.055 181 L CA 0.148 55.168 54.840 0.301 0.000 0.880 181 L CB -0.571 41.480 42.059 -0.014 0.000 1.195 181 L HN 0.250 nan 8.230 nan 0.000 0.492 182 V N 1.112 121.241 119.914 0.358 0.000 2.370 182 V HA -0.307 3.813 4.120 0.000 0.000 0.252 182 V C 2.423 178.631 176.094 0.190 0.000 1.068 182 V CA 2.276 64.763 62.300 0.311 0.000 1.061 182 V CB -0.012 32.032 31.823 0.369 0.000 0.656 182 V HN 0.377 nan 8.190 nan 0.000 0.455 183 L N 1.109 122.410 121.223 0.130 0.000 1.973 183 L HA -0.111 4.229 4.340 0.000 0.000 0.208 183 L C 2.721 179.559 176.870 -0.054 0.000 1.073 183 L CA 2.613 57.353 54.840 -0.167 0.000 0.746 183 L CB -1.179 40.575 42.059 -0.508 0.000 0.891 183 L HN 0.593 nan 8.230 nan 0.000 0.433 184 E N -1.202 119.121 120.200 0.204 0.000 2.153 184 E HA -0.277 4.073 4.350 0.000 0.000 0.194 184 E C 2.114 178.713 176.600 -0.002 0.000 0.988 184 E CA 1.585 58.032 56.400 0.078 0.000 0.811 184 E CB -1.064 28.807 29.700 0.285 0.000 0.746 184 E HN 0.640 nan 8.360 nan 0.000 0.466 185 W N 1.974 123.267 121.300 -0.012 0.000 2.418 185 W HA 0.016 4.676 4.660 0.000 0.000 0.292 185 W C 2.426 178.960 176.519 0.026 0.000 1.213 185 W CA 1.638 58.996 57.345 0.022 0.000 1.283 185 W CB -0.592 28.948 29.460 0.133 0.000 1.119 185 W HN 0.018 nan 8.180 nan 0.000 0.542 186 T N -0.357 114.311 114.554 0.189 0.000 2.904 186 T HA -0.143 4.207 4.350 0.000 0.000 0.267 186 T C 1.799 176.517 174.700 0.030 0.000 1.059 186 T CA 1.294 63.477 62.100 0.140 0.000 1.137 186 T CB -0.090 68.853 68.868 0.125 0.000 0.879 186 T HN -0.108 nan 8.240 nan 0.000 0.467 187 R N 1.096 121.492 120.500 -0.173 0.000 2.092 187 R HA 0.080 4.421 4.340 0.000 0.000 0.231 187 R C 2.112 178.307 176.300 -0.175 0.000 1.119 187 R CA 1.041 56.995 56.100 -0.243 0.000 0.970 187 R CB -0.993 28.958 30.300 -0.581 0.000 0.864 187 R HN 0.307 nan 8.270 nan 0.000 0.440 188 L N 0.031 121.118 121.223 -0.228 0.000 2.056 188 L HA -0.043 4.297 4.340 0.000 0.000 0.207 188 L C 1.973 178.814 176.870 -0.047 0.000 1.078 188 L CA 1.876 56.556 54.840 -0.267 0.000 0.749 188 L CB -0.736 40.992 42.059 -0.552 0.000 0.901 188 L HN 0.156 nan 8.230 nan 0.000 0.433 189 S N -0.260 115.502 115.700 0.102 0.000 2.368 189 S HA -0.185 4.285 4.470 0.000 0.000 0.225 189 S C 1.552 176.206 174.600 0.089 0.000 1.030 189 S CA 1.451 59.753 58.200 0.169 0.000 0.999 189 S CB -0.461 62.841 63.200 0.171 0.000 0.844 189 S HN 0.559 nan 8.310 nan 0.000 0.459 190 D N 0.872 121.323 120.400 0.086 0.000 2.178 190 D HA -0.028 4.613 4.640 0.000 0.000 0.201 190 D C 1.608 177.936 176.300 0.046 0.000 0.980 190 D CA 0.643 54.691 54.000 0.079 0.000 0.842 190 D CB -0.201 40.678 40.800 0.132 0.000 0.948 190 D HN 0.220 nan 8.370 nan 0.000 0.472 191 L N 0.409 121.644 121.223 0.020 0.000 2.341 191 L HA -0.005 4.335 4.340 0.000 0.000 0.214 191 L C 2.316 179.175 176.870 -0.017 0.000 1.115 191 L CA 1.222 56.065 54.840 0.004 0.000 0.820 191 L CB -0.575 41.457 42.059 -0.045 0.000 0.944 191 L HN 0.115 nan 8.230 nan 0.000 0.452 192 T N -5.874 108.675 114.554 -0.008 0.000 3.014 192 T HA 0.329 4.679 4.350 0.000 0.000 0.250 192 T C 1.555 176.264 174.700 0.015 0.000 1.060 192 T CA 0.510 62.611 62.100 0.001 0.000 1.040 192 T CB 0.456 69.356 68.868 0.054 0.000 0.971 192 T HN 0.296 nan 8.240 nan 0.000 0.497 193 G N 1.726 110.539 108.800 0.021 0.000 2.199 193 G HA2 -0.262 3.698 3.960 0.000 0.000 0.254 193 G HA3 -0.262 3.698 3.960 0.000 0.000 0.254 193 G C 0.001 174.897 174.900 -0.006 0.000 0.982 193 G CA 0.038 45.142 45.100 0.008 0.000 0.632 193 G HN 0.794 nan 8.290 nan 0.000 0.529 194 N N 1.283 119.979 118.700 -0.006 0.000 2.439 194 N HA 0.454 5.195 4.740 0.000 0.000 0.249 194 N C -0.685 174.763 175.510 -0.103 0.000 1.003 194 N CA -2.076 50.923 53.050 -0.086 0.000 0.942 194 N CB 1.732 40.121 38.487 -0.163 0.000 1.115 194 N HN 0.123 nan 8.380 nan 0.000 0.505 195 P HA -0.065 nan 4.420 nan 0.000 0.237 195 P C 0.739 177.986 177.300 -0.088 0.000 1.178 195 P CA 0.503 63.575 63.100 -0.046 0.000 0.766 195 P CB 0.716 32.400 31.700 -0.026 0.000 0.876 196 Q N 0.014 119.674 119.800 -0.233 0.000 2.096 196 Q HA -0.172 4.169 4.340 0.000 0.000 0.204 196 Q C 2.084 177.981 176.000 -0.171 0.000 0.982 196 Q CA 1.922 57.569 55.803 -0.261 0.000 0.850 196 Q CB -1.252 27.252 28.738 -0.389 0.000 0.901 196 Q HN 0.380 nan 8.270 nan 0.000 0.422 197 Y N -0.687 119.665 120.300 0.087 0.000 2.097 197 Y HA -0.235 4.315 4.550 0.000 0.000 0.282 197 Y C 2.282 178.371 175.900 0.315 0.000 1.152 197 Y CA 0.746 59.001 58.100 0.258 0.000 1.136 197 Y CB -0.611 37.848 38.460 -0.002 0.000 0.975 197 Y HN 0.187 nan 8.280 nan 0.000 0.498 198 A N 0.189 123.204 122.820 0.325 0.000 1.940 198 A HA -0.275 4.045 4.320 0.000 0.000 0.219 198 A C 2.095 179.776 177.584 0.161 0.000 1.176 198 A CA 1.912 54.106 52.037 0.262 0.000 0.631 198 A CB -0.736 18.395 19.000 0.218 0.000 0.814 198 A HN 0.572 nan 8.150 nan 0.000 0.446 199 Q N -0.795 119.052 119.800 0.078 0.000 2.050 199 Q HA -0.114 4.226 4.340 0.000 0.000 0.202 199 Q C 2.031 177.998 176.000 -0.055 0.000 0.980 199 Q CA 1.172 56.988 55.803 0.021 0.000 0.840 199 Q CB -0.250 28.481 28.738 -0.011 0.000 0.898 199 Q HN 0.513 nan 8.270 nan 0.000 0.424 200 L N 0.123 121.224 121.223 -0.203 0.000 2.017 200 L HA -0.150 4.190 4.340 0.000 0.000 0.208 200 L C 2.413 178.881 176.870 -0.671 0.000 1.073 200 L CA 1.788 56.271 54.840 -0.594 0.000 0.745 200 L CB -1.583 39.790 42.059 -1.144 0.000 0.894 200 L HN 0.211 nan 8.230 nan 0.000 0.432 201 A N -0.585 121.938 122.820 -0.494 0.000 1.877 201 A HA -0.235 4.085 4.320 0.000 0.000 0.216 201 A C 2.179 179.848 177.584 0.141 0.000 1.186 201 A CA 1.439 53.419 52.037 -0.094 0.000 0.620 201 A CB -0.482 18.535 19.000 0.028 0.000 0.822 201 A HN 0.515 nan 8.150 nan 0.000 0.443 202 Q N -0.925 118.977 119.800 0.170 0.000 2.224 202 Q HA -0.176 4.164 4.340 0.000 0.000 0.203 202 Q C 2.061 178.187 176.000 0.211 0.000 0.970 202 Q CA 1.507 57.473 55.803 0.271 0.000 0.865 202 Q CB -0.130 28.786 28.738 0.297 0.000 0.922 202 Q HN 0.547 nan 8.270 nan 0.000 0.445 203 K N 0.746 121.228 120.400 0.136 0.000 2.097 203 K HA -0.091 4.229 4.320 0.000 0.000 0.205 203 K C 1.856 178.606 176.600 0.251 0.000 1.050 203 K CA 1.665 58.035 56.287 0.138 0.000 0.938 203 K CB -0.701 31.863 32.500 0.107 0.000 0.718 203 K HN 0.205 nan 8.250 nan 0.000 0.442 204 G N 0.022 108.999 108.800 0.295 0.000 2.394 204 G HA2 -0.236 3.725 3.960 0.000 0.000 0.215 204 G HA3 -0.236 3.725 3.960 0.000 0.000 0.215 204 G C 1.534 176.632 174.900 0.330 0.000 1.165 204 G CA 0.805 46.124 45.100 0.365 0.000 0.784 204 G HN 0.470 nan 8.290 nan 0.000 0.535 205 E N 0.866 121.234 120.200 0.280 0.000 2.153 205 E HA -0.129 4.221 4.350 0.000 0.000 0.194 205 E C 2.553 179.280 176.600 0.212 0.000 0.988 205 E CA 1.263 57.818 56.400 0.259 0.000 0.811 205 E CB -0.428 29.461 29.700 0.314 0.000 0.746 205 E HN 0.280 nan 8.360 nan 0.000 0.466 206 S N -0.955 114.850 115.700 0.175 0.000 2.381 206 S HA -0.270 4.200 4.470 0.000 0.000 0.230 206 S C 1.753 176.354 174.600 0.002 0.000 1.052 206 S CA 1.725 59.952 58.200 0.044 0.000 1.068 206 S CB -0.597 62.538 63.200 -0.108 0.000 0.918 206 S HN 0.544 nan 8.310 nan 0.000 0.448 207 Y N 0.584 120.952 120.300 0.114 0.000 2.333 207 Y HA 0.040 4.590 4.550 0.000 0.000 0.290 207 Y C 1.978 177.993 175.900 0.191 0.000 1.144 207 Y CA 0.604 58.774 58.100 0.117 0.000 1.228 207 Y CB -0.235 38.250 38.460 0.041 0.000 0.985 207 Y HN 0.257 nan 8.280 nan 0.000 0.542 208 L N -1.006 120.384 121.223 0.278 0.000 2.341 208 L HA -0.070 4.270 4.340 0.000 0.000 0.214 208 L C 1.859 178.869 176.870 0.233 0.000 1.115 208 L CA 1.204 56.184 54.840 0.234 0.000 0.820 208 L CB -0.708 41.352 42.059 0.001 0.000 0.944 208 L HN 0.244 nan 8.230 nan 0.000 0.452 209 L N -1.182 120.163 121.223 0.203 0.000 2.270 209 L HA 0.033 4.373 4.340 0.000 0.000 0.210 209 L C 0.793 177.761 176.870 0.163 0.000 1.104 209 L CA 0.479 55.418 54.840 0.164 0.000 0.804 209 L CB -0.122 42.028 42.059 0.153 0.000 0.937 209 L HN 0.258 nan 8.230 nan 0.000 0.450 210 N N 0.643 119.439 118.700 0.160 0.000 2.813 210 N HA 0.184 4.925 4.740 0.000 0.000 0.282 210 N C -2.494 173.089 175.510 0.122 0.000 1.748 210 N CA -1.763 51.362 53.050 0.124 0.000 0.860 210 N CB 0.684 39.235 38.487 0.107 0.000 1.204 210 N HN -0.085 nan 8.380 nan 0.000 0.490 211 P HA 0.067 nan 4.420 nan 0.000 0.257 211 P C -0.419 176.898 177.300 0.027 0.000 1.162 211 P CA 0.555 63.623 63.100 -0.055 0.000 0.762 211 P CB 0.185 31.586 31.700 -0.499 0.000 0.753 212 K N 1.491 122.022 120.400 0.217 0.000 2.375 212 K HA 0.745 5.065 4.320 0.000 0.000 0.249 212 K C 0.443 177.177 176.600 0.224 0.000 0.942 212 K CA -0.101 56.290 56.287 0.174 0.000 0.806 212 K CB 1.685 34.296 32.500 0.185 0.000 1.227 212 K HN 0.835 nan 8.250 nan 0.000 0.430 213 G N -0.085 108.793 108.800 0.129 0.000 2.601 213 G HA2 -0.090 3.870 3.960 0.000 0.000 0.224 213 G HA3 -0.090 3.870 3.960 0.000 0.000 0.224 213 G C 0.330 175.280 174.900 0.083 0.000 1.171 213 G CA -0.047 45.128 45.100 0.125 0.000 1.009 213 G HN 1.496 nan 8.290 nan 0.000 0.589 214 S N 3.518 119.284 115.700 0.109 0.000 2.575 214 S HA 0.402 4.872 4.470 0.000 0.000 0.295 214 S C -1.892 172.698 174.600 -0.018 0.000 1.267 214 S CA 0.157 58.390 58.200 0.056 0.000 1.074 214 S CB 0.838 64.093 63.200 0.093 0.000 0.829 214 S HN 0.585 nan 8.310 nan 0.000 0.497 215 P HA 0.026 nan 4.420 nan 0.000 0.266 215 P C -0.105 177.114 177.300 -0.135 0.000 1.193 215 P CA -0.198 62.846 63.100 -0.093 0.000 0.770 215 P CB 0.295 31.944 31.700 -0.085 0.000 0.836 216 E N 1.899 121.996 120.200 -0.171 0.000 2.283 216 E HA 0.384 4.734 4.350 0.000 0.000 0.278 216 E C 0.659 177.138 176.600 -0.202 0.000 1.027 216 E CA -0.761 55.532 56.400 -0.178 0.000 0.843 216 E CB 1.093 30.680 29.700 -0.187 0.000 1.062 216 E HN 0.340 nan 8.360 nan 0.000 0.401 217 A N 4.736 127.429 122.820 -0.211 0.000 1.869 217 A HA -0.136 4.184 4.320 0.000 0.000 0.218 217 A C 0.280 177.449 177.584 -0.691 0.000 1.203 217 A CA 1.056 52.812 52.037 -0.468 0.000 0.638 217 A CB -0.395 18.363 19.000 -0.402 0.000 0.831 217 A HN 0.794 nan 8.150 nan 0.000 0.450 218 W N -1.677 119.472 121.300 -0.252 0.000 3.031 218 W HA 0.390 5.050 4.660 0.000 0.000 0.337 218 W C -2.716 173.706 176.519 -0.162 0.000 1.187 218 W CA -2.432 54.777 57.345 -0.227 0.000 1.166 218 W CB 1.011 30.299 29.460 -0.287 0.000 1.437 218 W HN -0.017 nan 8.180 nan 0.000 0.551 219 P HA 0.044 nan 4.420 nan 0.000 0.261 219 P C 0.763 178.080 177.300 0.027 0.000 1.183 219 P CA 1.916 65.044 63.100 0.046 0.000 0.761 219 P CB 0.455 32.185 31.700 0.050 0.000 0.785 220 G N 3.085 111.893 108.800 0.014 0.000 2.284 220 G HA2 -0.236 3.724 3.960 0.000 0.000 0.230 220 G HA3 -0.236 3.724 3.960 0.000 0.000 0.230 220 G C 0.046 174.997 174.900 0.086 0.000 1.021 220 G CA -0.232 44.885 45.100 0.027 0.000 0.619 220 G HN 0.503 nan 8.290 nan 0.000 0.510 221 L N 3.248 124.490 121.223 0.031 0.000 2.328 221 L HA 0.495 4.835 4.340 0.000 0.000 0.280 221 L C 1.374 178.304 176.870 0.100 0.000 1.111 221 L CA -0.744 54.132 54.840 0.060 0.000 0.909 221 L CB 0.125 42.009 42.059 -0.292 0.000 1.277 221 L HN 0.473 nan 8.230 nan 0.000 0.433 222 I N -1.099 119.571 120.570 0.167 0.000 3.156 222 I HA 0.629 4.799 4.170 0.000 0.000 0.306 222 I C 0.998 177.164 176.117 0.082 0.000 1.048 222 I CA -0.531 60.723 61.300 -0.076 0.000 1.207 222 I CB 0.586 38.429 38.000 -0.261 0.000 1.456 222 I HN 0.369 nan 8.210 nan 0.000 0.616 223 G N 0.138 108.944 108.800 0.011 0.000 2.621 223 G HA2 0.316 4.276 3.960 0.000 0.000 0.271 223 G HA3 0.316 4.276 3.960 0.000 0.000 0.271 223 G C 0.562 175.529 174.900 0.111 0.000 1.236 223 G CA 0.151 45.357 45.100 0.176 0.000 0.958 223 G HN 0.878 nan 8.290 nan 0.000 0.512 224 T N -2.002 112.447 114.554 -0.175 0.000 3.023 224 T HA 0.303 4.654 4.350 0.000 0.000 0.249 224 T C 0.161 174.515 174.700 -0.576 0.000 1.050 224 T CA -0.076 61.728 62.100 -0.494 0.000 1.088 224 T CB -0.171 68.213 68.868 -0.808 0.000 0.946 224 T HN 0.222 nan 8.240 nan 0.000 0.480 225 F N 1.625 121.504 119.950 -0.117 0.000 2.436 225 F HA 0.691 5.218 4.527 0.000 0.000 0.340 225 F C -0.486 175.120 175.800 -0.324 0.000 1.113 225 F CA -1.230 56.651 58.000 -0.198 0.000 1.022 225 F CB 2.040 40.962 39.000 -0.130 0.000 1.128 225 F HN -0.200 nan 8.300 nan 0.000 0.466 226 V N 1.783 121.571 119.914 -0.209 0.000 2.735 226 V HA 0.323 4.443 4.120 0.000 0.000 0.310 226 V C -0.212 175.732 176.094 -0.250 0.000 1.061 226 V CA -0.997 61.058 62.300 -0.409 0.000 0.913 226 V CB 1.993 33.428 31.823 -0.645 0.000 1.005 226 V HN 0.792 nan 8.190 nan 0.000 0.428 227 S N 2.118 117.683 115.700 -0.226 0.000 2.549 227 S HA 0.087 4.558 4.470 0.000 0.000 0.279 227 S C 1.403 175.873 174.600 -0.216 0.000 1.321 227 S CA 0.301 58.396 58.200 -0.175 0.000 1.054 227 S CB 1.023 64.145 63.200 -0.129 0.000 0.899 227 S HN 1.086 nan 8.310 nan 0.000 0.497 228 T N 1.364 115.816 114.554 -0.171 0.000 3.067 228 T HA -0.024 4.326 4.350 0.000 0.000 0.261 228 T C 1.746 176.357 174.700 -0.148 0.000 1.110 228 T CA 0.917 62.915 62.100 -0.169 0.000 1.113 228 T CB -0.389 68.406 68.868 -0.121 0.000 0.917 228 T HN 0.672 nan 8.240 nan 0.000 0.499 229 S N 1.708 117.334 115.700 -0.123 0.000 2.441 229 S HA 0.101 4.572 4.470 0.000 0.000 0.224 229 S C 1.781 176.326 174.600 -0.092 0.000 1.043 229 S CA -0.072 58.077 58.200 -0.085 0.000 0.948 229 S CB -0.201 62.966 63.200 -0.054 0.000 0.810 229 S HN 0.474 nan 8.310 nan 0.000 0.504 230 N N 0.970 119.601 118.700 -0.116 0.000 2.407 230 N HA 0.231 4.971 4.740 0.000 0.000 0.182 230 N C 1.361 176.762 175.510 -0.181 0.000 1.079 230 N CA 0.894 53.893 53.050 -0.086 0.000 0.882 230 N CB 0.122 38.588 38.487 -0.035 0.000 1.106 230 N HN 0.628 nan 8.380 nan 0.000 0.461 231 G N 1.409 110.007 108.800 -0.336 0.000 2.143 231 G HA2 -0.279 3.681 3.960 0.000 0.000 0.249 231 G HA3 -0.279 3.681 3.960 0.000 0.000 0.249 231 G C 0.207 174.991 174.900 -0.193 0.000 0.981 231 G CA 0.853 45.602 45.100 -0.585 0.000 0.665 231 G HN 0.535 nan 8.290 nan 0.000 0.528 232 T N -1.222 113.283 114.554 -0.082 0.000 2.909 232 T HA 0.676 5.027 4.350 0.000 0.000 0.286 232 T C 0.252 174.948 174.700 -0.008 0.000 1.002 232 T CA -0.794 61.342 62.100 0.060 0.000 1.074 232 T CB 1.597 70.511 68.868 0.078 0.000 0.984 232 T HN 0.235 nan 8.240 nan 0.000 0.495 233 F N 1.780 121.730 119.950 0.001 0.000 2.471 233 F HA 0.240 4.767 4.527 0.000 0.000 0.353 233 F C 1.825 177.630 175.800 0.009 0.000 1.113 233 F CA -0.252 57.745 58.000 -0.005 0.000 1.262 233 F CB 0.855 39.846 39.000 -0.014 0.000 1.146 233 F HN 0.540 nan 8.300 nan 0.000 0.578 234 Q N 1.318 121.209 119.800 0.150 0.000 2.319 234 Q HA 0.138 4.478 4.340 0.000 0.000 0.209 234 Q C -0.486 175.598 176.000 0.139 0.000 0.884 234 Q CA 0.281 56.155 55.803 0.118 0.000 0.938 234 Q CB 0.099 28.890 28.738 0.088 0.000 1.098 234 Q HN 0.877 nan 8.270 nan 0.000 0.517 235 D N -2.651 117.853 120.400 0.173 0.000 2.692 235 D HA 0.256 4.896 4.640 0.000 0.000 0.303 235 D C -0.674 175.687 176.300 0.102 0.000 1.278 235 D CA -0.694 53.378 54.000 0.120 0.000 0.852 235 D CB 0.453 41.326 40.800 0.121 0.000 1.375 235 D HN -0.262 nan 8.370 nan 0.000 0.453 236 S N -0.655 115.077 115.700 0.054 0.000 2.661 236 S HA 0.452 4.922 4.470 0.000 0.000 0.245 236 S C -0.506 174.153 174.600 0.099 0.000 1.117 236 S CA -0.457 57.775 58.200 0.052 0.000 1.091 236 S CB -0.352 62.849 63.200 0.001 0.000 0.887 236 S HN 0.610 nan 8.310 nan 0.000 0.491 237 S N 0.223 115.925 115.700 0.004 0.000 2.648 237 S HA 1.006 5.476 4.470 0.000 0.000 0.305 237 S C 0.071 174.410 174.600 -0.434 0.000 1.094 237 S CA -0.511 57.579 58.200 -0.184 0.000 0.983 237 S CB 2.184 65.285 63.200 -0.165 0.000 1.101 237 S HN 0.510 nan 8.310 nan 0.000 0.514 238 G N -0.044 108.153 108.800 -1.005 0.000 2.325 238 G HA2 0.656 4.616 3.960 0.000 0.000 0.295 238 G HA3 0.656 4.616 3.960 0.000 0.000 0.295 238 G C -0.816 173.606 174.900 -0.797 0.000 1.274 238 G CA -0.002 44.623 45.100 -0.793 0.000 0.857 238 G HN 2.118 nan 8.290 nan 0.000 0.499 239 S N -2.903 112.703 115.700 -0.156 0.000 2.653 239 S HA 0.328 4.798 4.470 0.000 0.000 0.264 239 S C -1.596 173.195 174.600 0.319 0.000 1.070 239 S CA -0.321 58.005 58.200 0.211 0.000 0.885 239 S CB 0.286 63.557 63.200 0.118 0.000 1.157 239 S HN 1.132 nan 8.310 nan 0.000 0.479 240 W N 1.676 123.166 121.300 0.317 0.000 3.269 240 W HA 0.664 5.324 4.660 0.000 0.000 0.413 240 W C 1.255 177.972 176.519 0.330 0.000 1.057 240 W CA 0.244 57.821 57.345 0.387 0.000 1.953 240 W CB 0.379 30.019 29.460 0.300 0.000 1.053 240 W HN 0.748 nan 8.180 nan 0.000 0.753 241 S N -0.701 115.194 115.700 0.325 0.000 2.694 241 S HA 0.736 5.207 4.470 0.000 0.000 0.286 241 S C 0.806 175.459 174.600 0.088 0.000 1.080 241 S CA -0.366 57.963 58.200 0.214 0.000 0.953 241 S CB -0.190 63.097 63.200 0.145 0.000 1.313 241 S HN 0.008 nan 8.310 nan 0.000 0.555 242 G N 0.356 109.183 108.800 0.044 0.000 2.368 242 G HA2 0.351 4.311 3.960 0.000 0.000 0.233 242 G HA3 0.351 4.311 3.960 0.000 0.000 0.233 242 G C 0.282 175.130 174.900 -0.087 0.000 1.267 242 G CA 0.422 45.512 45.100 -0.017 0.000 0.873 242 G HN 1.162 nan 8.290 nan 0.000 0.539 243 L N -0.287 120.844 121.223 -0.153 0.000 5.044 243 L HA -0.239 4.101 4.340 0.000 0.000 0.412 243 L C 1.435 178.134 176.870 -0.284 0.000 0.971 243 L CA 1.388 56.092 54.840 -0.227 0.000 1.411 243 L CB -1.554 40.375 42.059 -0.216 0.000 1.884 243 L HN 0.721 nan 8.230 nan 0.000 0.631 244 M N -1.309 118.150 119.600 -0.235 0.000 1.794 244 M HA 0.001 4.482 4.480 0.000 0.000 0.292 244 M C 1.210 177.368 176.300 -0.236 0.000 0.966 244 M CA 1.062 56.195 55.300 -0.278 0.000 1.072 244 M CB 0.225 32.657 32.600 -0.278 0.000 2.031 244 M HN 0.200 nan 8.290 nan 0.000 0.719 245 D N 1.531 121.883 120.400 -0.080 0.000 2.355 245 D HA -0.273 4.367 4.640 0.000 0.000 0.192 245 D C 1.466 177.751 176.300 -0.025 0.000 1.014 245 D CA 2.811 56.864 54.000 0.087 0.000 0.862 245 D CB -1.410 39.448 40.800 0.096 0.000 0.986 245 D HN 0.516 nan 8.370 nan 0.000 0.456 246 S N -1.156 114.424 115.700 -0.199 0.000 2.547 246 S HA -0.090 4.380 4.470 0.000 0.000 0.235 246 S C 1.781 176.273 174.600 -0.182 0.000 0.980 246 S CA 0.470 58.532 58.200 -0.231 0.000 0.941 246 S CB -1.071 61.966 63.200 -0.272 0.000 0.763 246 S HN 0.462 nan 8.310 nan 0.000 0.532 247 F N 1.618 121.394 119.950 -0.290 0.000 2.098 247 F HA 0.018 4.545 4.527 0.000 0.000 0.294 247 F C 2.068 177.819 175.800 -0.082 0.000 1.107 247 F CA 0.947 58.793 58.000 -0.257 0.000 1.234 247 F CB -0.416 38.322 39.000 -0.436 0.000 1.002 247 F HN 0.129 nan 8.300 nan 0.000 0.472 248 Y N 0.613 120.686 120.300 -0.378 0.000 2.181 248 Y HA -0.238 4.312 4.550 0.000 0.000 0.288 248 Y C 2.697 178.623 175.900 0.043 0.000 1.146 248 Y CA 1.308 59.170 58.100 -0.398 0.000 1.164 248 Y CB -0.581 37.474 38.460 -0.675 0.000 0.982 248 Y HN 0.229 nan 8.280 nan 0.000 0.515 249 E N 0.110 120.508 120.200 0.330 0.000 2.058 249 E HA -0.264 4.086 4.350 0.000 0.000 0.194 249 E C 1.761 178.594 176.600 0.388 0.000 0.997 249 E CA 1.543 58.215 56.400 0.453 0.000 0.801 249 E CB -0.424 29.511 29.700 0.391 0.000 0.746 249 E HN 0.636 nan 8.360 nan 0.000 0.450 250 Y N -0.363 119.980 120.300 0.071 0.000 2.439 250 Y HA -0.173 4.377 4.550 0.000 0.000 0.292 250 Y C 2.275 178.215 175.900 0.067 0.000 1.130 250 Y CA -0.374 57.766 58.100 0.067 0.000 1.254 250 Y CB 0.228 38.743 38.460 0.092 0.000 1.000 250 Y HN 0.154 nan 8.280 nan 0.000 0.554 251 L N -0.286 121.030 121.223 0.155 0.000 1.990 251 L HA -0.282 4.059 4.340 0.000 0.000 0.213 251 L C 2.196 179.147 176.870 0.136 0.000 1.072 251 L CA 1.670 56.601 54.840 0.153 0.000 0.755 251 L CB -0.836 41.258 42.059 0.057 0.000 0.889 251 L HN 0.217 nan 8.230 nan 0.000 0.432 252 I N -1.198 119.299 120.570 -0.120 0.000 2.617 252 I HA -0.176 3.994 4.170 0.000 0.000 0.256 252 I C 2.237 178.294 176.117 -0.099 0.000 1.167 252 I CA 1.254 62.324 61.300 -0.382 0.000 1.469 252 I CB -0.358 36.902 38.000 -1.233 0.000 1.098 252 I HN 0.175 nan 8.210 nan 0.000 0.436 253 K N -0.588 119.798 120.400 -0.023 0.000 2.217 253 K HA -0.057 4.263 4.320 0.000 0.000 0.202 253 K C 1.841 178.424 176.600 -0.029 0.000 1.051 253 K CA 0.946 57.235 56.287 0.003 0.000 0.952 253 K CB -0.108 32.394 32.500 0.004 0.000 0.736 253 K HN 0.256 nan 8.250 nan 0.000 0.453 254 M N -0.464 119.093 119.600 -0.071 0.000 2.319 254 M HA -0.112 4.369 4.480 0.000 0.000 0.265 254 M C 1.877 178.148 176.300 -0.048 0.000 1.068 254 M CA 1.269 56.390 55.300 -0.298 0.000 1.118 254 M CB -0.646 31.581 32.600 -0.620 0.000 1.395 254 M HN 0.117 nan 8.290 nan 0.000 0.435 255 Y N 0.697 120.993 120.300 -0.008 0.000 2.314 255 Y HA -0.098 4.452 4.550 0.000 0.000 0.293 255 Y C 2.116 178.048 175.900 0.054 0.000 1.129 255 Y CA 1.304 59.448 58.100 0.073 0.000 1.201 255 Y CB -0.177 38.300 38.460 0.028 0.000 0.999 255 Y HN 0.112 nan 8.280 nan 0.000 0.541 256 L N -1.198 120.044 121.223 0.033 0.000 2.109 256 L HA -0.201 4.140 4.340 0.000 0.000 0.207 256 L C 2.149 179.008 176.870 -0.018 0.000 1.086 256 L CA 1.368 56.191 54.840 -0.027 0.000 0.760 256 L CB -0.520 41.575 42.059 0.060 0.000 0.910 256 L HN 0.304 nan 8.230 nan 0.000 0.437 257 Y N 0.513 120.761 120.300 -0.086 0.000 2.145 257 Y HA -0.180 4.371 4.550 0.000 0.000 0.286 257 Y C 0.571 176.463 175.900 -0.014 0.000 1.145 257 Y CA 1.567 59.625 58.100 -0.069 0.000 1.148 257 Y CB 0.229 38.606 38.460 -0.138 0.000 0.981 257 Y HN 0.180 nan 8.280 nan 0.000 0.507 258 D N -1.911 118.529 120.400 0.066 0.000 2.365 258 D HA 0.213 4.853 4.640 0.000 0.000 0.235 258 D C -2.415 173.901 176.300 0.027 0.000 1.368 258 D CA -1.940 52.082 54.000 0.038 0.000 1.001 258 D CB 1.553 42.475 40.800 0.204 0.000 1.364 258 D HN -0.092 nan 8.370 nan 0.000 0.577 259 P HA -0.129 nan 4.420 nan 0.000 0.216 259 P C 1.478 178.737 177.300 -0.068 0.000 1.150 259 P CA 0.635 63.454 63.100 -0.468 0.000 0.837 259 P CB 0.610 32.003 31.700 -0.511 0.000 0.786 260 V N 0.012 119.888 119.914 -0.063 0.000 2.273 260 V HA -0.133 3.987 4.120 0.000 0.000 0.242 260 V C 2.482 178.534 176.094 -0.070 0.000 1.035 260 V CA 2.123 64.404 62.300 -0.031 0.000 1.013 260 V CB -1.760 30.025 31.823 -0.062 0.000 0.652 260 V HN 0.061 nan 8.190 nan 0.000 0.452 261 A N -0.522 122.174 122.820 -0.206 0.000 1.972 261 A HA -0.089 4.231 4.320 0.000 0.000 0.219 261 A C 1.584 178.769 177.584 -0.665 0.000 1.169 261 A CA 1.588 53.324 52.037 -0.501 0.000 0.635 261 A CB -0.555 17.972 19.000 -0.788 0.000 0.810 261 A HN 0.563 nan 8.150 nan 0.000 0.446 262 F N -1.090 118.864 119.950 0.006 0.000 2.850 262 F HA 0.480 5.008 4.527 0.000 0.000 0.306 262 F C 1.802 177.758 175.800 0.261 0.000 1.162 262 F CA -0.014 57.975 58.000 -0.019 0.000 1.327 262 F CB -0.028 38.798 39.000 -0.290 0.000 0.953 262 F HN 0.194 nan 8.300 nan 0.000 0.507 263 A N -0.254 122.792 122.820 0.376 0.000 1.933 263 A HA -0.238 4.082 4.320 0.000 0.000 0.218 263 A C 2.233 180.031 177.584 0.357 0.000 1.175 263 A CA 1.706 53.983 52.037 0.401 0.000 0.628 263 A CB -0.954 18.216 19.000 0.285 0.000 0.814 263 A HN 0.595 nan 8.150 nan 0.000 0.444 264 H N -2.092 117.159 119.070 0.302 0.000 2.421 264 H HA -0.178 4.378 4.556 0.000 0.000 0.298 264 H C 1.833 177.379 175.328 0.363 0.000 1.087 264 H CA 1.978 58.201 56.048 0.292 0.000 1.330 264 H CB -0.070 29.863 29.762 0.285 0.000 1.388 264 H HN 0.722 nan 8.280 nan 0.000 0.526 265 Y N 0.918 121.353 120.300 0.225 0.000 2.163 265 Y HA -0.220 4.330 4.550 0.000 0.000 0.288 265 Y C 2.955 178.902 175.900 0.078 0.000 1.136 265 Y CA 1.155 59.351 58.100 0.160 0.000 1.147 265 Y CB 0.014 38.627 38.460 0.255 0.000 0.987 265 Y HN 0.115 nan 8.280 nan 0.000 0.509 266 K N 0.661 121.190 120.400 0.215 0.000 2.044 266 K HA -0.255 4.065 4.320 0.000 0.000 0.210 266 K C 1.292 177.908 176.600 0.027 0.000 1.049 266 K CA 2.255 58.510 56.287 -0.054 0.000 0.927 266 K CB -0.305 31.849 32.500 -0.577 0.000 0.713 266 K HN 0.238 nan 8.250 nan 0.000 0.443 267 D N 0.398 120.808 120.400 0.017 0.000 2.123 267 D HA -0.140 4.500 4.640 0.000 0.000 0.196 267 D C 2.119 178.416 176.300 -0.005 0.000 0.992 267 D CA 0.878 54.884 54.000 0.010 0.000 0.833 267 D CB -0.082 40.724 40.800 0.009 0.000 0.954 267 D HN 0.175 nan 8.370 nan 0.000 0.455 268 R N -0.406 120.066 120.500 -0.047 0.000 2.115 268 R HA -0.114 4.226 4.340 0.000 0.000 0.230 268 R C 2.132 178.457 176.300 0.042 0.000 1.111 268 R CA 0.468 56.552 56.100 -0.028 0.000 0.976 268 R CB -1.061 29.205 30.300 -0.057 0.000 0.870 268 R HN 0.385 nan 8.270 nan 0.000 0.445 269 W N 1.013 122.244 121.300 -0.115 0.000 2.381 269 W HA -0.156 4.504 4.660 0.000 0.000 0.301 269 W C 1.889 178.287 176.519 -0.202 0.000 1.205 269 W CA 1.064 58.316 57.345 -0.155 0.000 1.285 269 W CB -0.184 29.179 29.460 -0.162 0.000 1.133 269 W HN -0.217 nan 8.180 nan 0.000 0.521 270 V N 1.252 121.209 119.914 0.071 0.000 2.332 270 V HA -0.353 3.767 4.120 0.000 0.000 0.248 270 V C 2.352 178.336 176.094 -0.183 0.000 1.055 270 V CA 2.034 64.291 62.300 -0.072 0.000 1.038 270 V CB -1.074 30.807 31.823 0.097 0.000 0.651 270 V HN 0.251 nan 8.190 nan 0.000 0.450 271 L N 0.064 121.219 121.223 -0.114 0.000 2.017 271 L HA -0.120 4.221 4.340 0.000 0.000 0.208 271 L C 2.656 179.419 176.870 -0.179 0.000 1.073 271 L CA 1.919 56.701 54.840 -0.098 0.000 0.745 271 L CB -1.182 40.852 42.059 -0.042 0.000 0.894 271 L HN 0.478 nan 8.230 nan 0.000 0.432 272 G N -0.670 107.967 108.800 -0.273 0.000 2.421 272 G HA2 -0.265 3.695 3.960 0.000 0.000 0.216 272 G HA3 -0.265 3.695 3.960 0.000 0.000 0.216 272 G C 1.752 176.405 174.900 -0.412 0.000 1.171 272 G CA 0.854 45.721 45.100 -0.387 0.000 0.775 272 G HN 0.483 nan 8.290 nan 0.000 0.543 273 A N 1.168 123.555 122.820 -0.722 0.000 1.865 273 A HA -0.099 4.222 4.320 0.000 0.000 0.217 273 A C 2.120 179.510 177.584 -0.323 0.000 1.191 273 A CA 2.226 53.785 52.037 -0.796 0.000 0.623 273 A CB -0.523 17.409 19.000 -1.781 0.000 0.826 273 A HN 0.294 nan 8.150 nan 0.000 0.444 274 D N -0.389 119.858 120.400 -0.256 0.000 2.144 274 D HA -0.054 4.586 4.640 0.000 0.000 0.200 274 D C 2.254 178.430 176.300 -0.207 0.000 0.978 274 D CA 1.473 55.384 54.000 -0.147 0.000 0.833 274 D CB -0.373 40.387 40.800 -0.067 0.000 0.961 274 D HN 0.358 nan 8.370 nan 0.000 0.470 275 S N -0.207 115.390 115.700 -0.172 0.000 2.383 275 S HA -0.093 4.377 4.470 0.000 0.000 0.227 275 S C 2.051 176.524 174.600 -0.212 0.000 1.026 275 S CA 1.109 59.223 58.200 -0.142 0.000 0.981 275 S CB -0.173 62.995 63.200 -0.053 0.000 0.818 275 S HN 0.292 nan 8.310 nan 0.000 0.472 276 T N 2.549 117.004 114.554 -0.165 0.000 2.737 276 T HA 0.046 4.396 4.350 0.000 0.000 0.265 276 T C 1.732 176.244 174.700 -0.313 0.000 1.038 276 T CA 1.050 63.082 62.100 -0.114 0.000 1.144 276 T CB -0.353 68.554 68.868 0.065 0.000 0.866 276 T HN 0.316 nan 8.240 nan 0.000 0.434 277 I N 1.068 121.331 120.570 -0.513 0.000 2.226 277 I HA -0.104 4.066 4.170 0.000 0.000 0.245 277 I C 2.813 178.635 176.117 -0.491 0.000 1.100 277 I CA 1.336 62.182 61.300 -0.757 0.000 1.374 277 I CB -0.567 36.936 38.000 -0.829 0.000 1.057 277 I HN 0.319 nan 8.210 nan 0.000 0.413 278 G N -0.841 107.654 108.800 -0.508 0.000 2.464 278 G HA2 -0.151 3.809 3.960 0.000 0.000 0.217 278 G HA3 -0.151 3.809 3.960 0.000 0.000 0.217 278 G C 1.062 175.387 174.900 -0.957 0.000 1.138 278 G CA 0.549 45.227 45.100 -0.703 0.000 0.793 278 G HN 0.501 nan 8.290 nan 0.000 0.539 279 H N -1.778 116.980 119.070 -0.519 0.000 3.535 279 H HA 0.372 4.929 4.556 0.000 0.000 0.260 279 H C 1.835 176.937 175.328 -0.375 0.000 1.173 279 H CA -0.271 55.388 56.048 -0.649 0.000 1.168 279 H CB 0.616 29.409 29.762 -1.615 0.000 1.568 279 H HN 0.181 nan 8.280 nan 0.000 0.602 280 L N -0.111 121.034 121.223 -0.130 0.000 2.537 280 L HA 0.313 4.654 4.340 0.000 0.000 0.224 280 L C 1.228 178.142 176.870 0.073 0.000 1.065 280 L CA 0.037 54.910 54.840 0.056 0.000 0.860 280 L CB 0.283 42.433 42.059 0.152 0.000 1.086 280 L HN 0.179 nan 8.230 nan 0.000 0.482 281 G N 0.558 109.348 108.800 -0.018 0.000 2.272 281 G HA2 0.196 4.156 3.960 0.000 0.000 0.247 281 G HA3 0.196 4.156 3.960 0.000 0.000 0.247 281 G C -0.350 174.505 174.900 -0.076 0.000 1.272 281 G CA 0.337 45.425 45.100 -0.020 0.000 0.921 281 G HN 0.067 nan 8.290 nan 0.000 0.495 282 S N 1.483 117.118 115.700 -0.108 0.000 2.541 282 S HA 0.554 5.024 4.470 0.000 0.000 0.280 282 S C -0.945 173.462 174.600 -0.322 0.000 1.112 282 S CA -0.893 57.305 58.200 -0.003 0.000 0.925 282 S CB 0.968 64.485 63.200 0.528 0.000 1.067 282 S HN 0.629 nan 8.310 nan 0.000 0.479 283 H N 2.419 121.540 119.070 0.085 0.000 2.466 283 H HA 0.380 4.937 4.556 0.000 0.000 0.338 283 H C -2.703 172.685 175.328 0.100 0.000 1.091 283 H CA -1.844 54.166 56.048 -0.063 0.000 1.207 283 H CB 1.423 31.155 29.762 -0.050 0.000 1.466 283 H HN 0.332 nan 8.280 nan 0.000 0.493 284 P HA -0.068 nan 4.420 nan 0.000 0.268 284 P C 1.025 178.512 177.300 0.312 0.000 1.204 284 P CA 0.185 63.515 63.100 0.384 0.000 0.768 284 P CB 0.797 32.644 31.700 0.244 0.000 0.842 285 S N 1.508 117.464 115.700 0.426 0.000 2.400 285 S HA -0.183 4.288 4.470 0.000 0.000 0.232 285 S C 1.413 176.091 174.600 0.131 0.000 1.025 285 S CA 2.005 60.372 58.200 0.278 0.000 0.993 285 S CB -1.482 61.923 63.200 0.341 0.000 0.808 285 S HN 0.570 nan 8.310 nan 0.000 0.478 286 T N -2.234 112.334 114.554 0.024 0.000 3.122 286 T HA 0.437 4.788 4.350 0.000 0.000 0.250 286 T C 0.558 175.165 174.700 -0.154 0.000 1.067 286 T CA -0.429 61.583 62.100 -0.146 0.000 0.966 286 T CB -0.036 68.578 68.868 -0.423 0.000 1.002 286 T HN 0.263 nan 8.240 nan 0.000 0.542 287 R N 0.615 121.063 120.500 -0.088 0.000 2.837 287 R HA 0.388 4.728 4.340 0.000 0.000 0.245 287 R C 0.612 176.859 176.300 -0.088 0.000 1.712 287 R CA -0.270 55.767 56.100 -0.106 0.000 1.539 287 R CB -0.129 30.095 30.300 -0.126 0.000 1.490 287 R HN 0.075 nan 8.270 nan 0.000 0.667 288 K N 0.133 120.484 120.400 -0.081 0.000 2.360 288 K HA -0.135 4.186 4.320 0.000 0.000 0.201 288 K C 0.724 177.204 176.600 -0.200 0.000 1.046 288 K CA 1.544 57.756 56.287 -0.125 0.000 0.945 288 K CB 0.288 32.704 32.500 -0.140 0.000 0.750 288 K HN 0.540 nan 8.250 nan 0.000 0.464 289 D N 0.256 120.560 120.400 -0.160 0.000 2.347 289 D HA -0.101 4.539 4.640 0.000 0.000 0.215 289 D C 0.333 176.526 176.300 -0.178 0.000 0.976 289 D CA 0.373 54.277 54.000 -0.161 0.000 0.884 289 D CB 0.094 40.816 40.800 -0.130 0.000 0.915 289 D HN -0.028 nan 8.370 nan 0.000 0.526 290 L N 0.712 121.799 121.223 -0.228 0.000 2.343 290 L HA 0.379 4.719 4.340 0.000 0.000 0.275 290 L C 0.061 176.629 176.870 -0.504 0.000 1.056 290 L CA -0.165 54.399 54.840 -0.459 0.000 0.804 290 L CB 2.049 43.704 42.059 -0.674 0.000 1.203 290 L HN -0.216 nan 8.230 nan 0.000 0.440 291 T N 3.017 117.113 114.554 -0.763 0.000 2.840 291 T HA 0.668 5.018 4.350 0.000 0.000 0.287 291 T C -0.888 173.256 174.700 -0.925 0.000 0.991 291 T CA -0.229 61.421 62.100 -0.750 0.000 0.964 291 T CB 0.632 69.210 68.868 -0.484 0.000 0.954 291 T HN 0.054 nan 8.240 nan 0.000 0.438 292 F N 1.336 120.942 119.950 -0.574 0.000 2.631 292 F HA 0.675 5.202 4.527 0.000 0.000 0.328 292 F C -0.334 175.368 175.800 -0.163 0.000 1.067 292 F CA -1.766 55.919 58.000 -0.525 0.000 0.969 292 F CB 1.165 39.483 39.000 -1.137 0.000 1.332 292 F HN 0.260 nan 8.300 nan 0.000 0.490 293 L N 1.290 122.716 121.223 0.339 0.000 2.296 293 L HA 0.495 4.835 4.340 0.000 0.000 0.286 293 L C -0.214 176.938 176.870 0.470 0.000 1.023 293 L CA -0.471 54.557 54.840 0.314 0.000 0.812 293 L CB 1.552 43.723 42.059 0.186 0.000 1.223 293 L HN 0.508 nan 8.230 nan 0.000 0.421 294 S N 0.840 116.799 115.700 0.432 0.000 2.632 294 S HA 0.423 4.893 4.470 0.000 0.000 0.271 294 S C 0.189 174.977 174.600 0.313 0.000 1.260 294 S CA -0.784 57.624 58.200 0.346 0.000 1.010 294 S CB 1.614 64.980 63.200 0.277 0.000 0.965 294 S HN 0.745 nan 8.310 nan 0.000 0.534 295 S N 0.781 116.600 115.700 0.198 0.000 2.693 295 S HA 0.740 5.210 4.470 0.000 0.000 0.276 295 S C -0.814 173.922 174.600 0.226 0.000 1.192 295 S CA -0.662 57.632 58.200 0.156 0.000 0.994 295 S CB 0.371 63.577 63.200 0.011 0.000 1.012 295 S HN 0.776 nan 8.310 nan 0.000 0.550 296 Y N -1.578 118.818 120.300 0.160 0.000 2.615 296 Y HA 0.709 5.260 4.550 0.000 0.000 0.341 296 Y C -1.009 174.942 175.900 0.085 0.000 1.089 296 Y CA -1.234 56.968 58.100 0.169 0.000 1.049 296 Y CB 1.357 40.002 38.460 0.308 0.000 1.296 296 Y HN 0.868 nan 8.280 nan 0.000 0.470 297 N N 1.417 120.242 118.700 0.209 0.000 2.747 297 N HA 0.458 5.198 4.740 0.000 0.000 0.262 297 N C -0.199 175.353 175.510 0.070 0.000 1.261 297 N CA 0.291 53.393 53.050 0.085 0.000 0.809 297 N CB 0.883 39.377 38.487 0.011 0.000 1.450 297 N HN 1.473 nan 8.380 nan 0.000 0.560 298 G N 1.984 110.810 108.800 0.044 0.000 2.553 298 G HA2 -0.303 3.657 3.960 0.000 0.000 0.242 298 G HA3 -0.303 3.657 3.960 0.000 0.000 0.242 298 G C 0.243 174.923 174.900 -0.366 0.000 1.277 298 G CA -0.238 44.775 45.100 -0.146 0.000 0.910 298 G HN 0.534 nan 8.290 nan 0.000 0.576 299 Q N 0.453 119.988 119.800 -0.442 0.000 2.482 299 Q HA 0.169 4.509 4.340 0.000 0.000 0.209 299 Q C 1.613 177.547 176.000 -0.110 0.000 0.961 299 Q CA 1.151 56.577 55.803 -0.628 0.000 0.945 299 Q CB -0.144 28.363 28.738 -0.385 0.000 1.012 299 Q HN 1.059 nan 8.270 nan 0.000 0.515 300 S N 0.287 115.991 115.700 0.007 0.000 2.608 300 S HA 0.653 5.124 4.470 0.000 0.000 0.291 300 S C 0.165 174.915 174.600 0.250 0.000 1.146 300 S CA -0.493 57.791 58.200 0.140 0.000 1.043 300 S CB 2.177 65.422 63.200 0.074 0.000 1.037 300 S HN 0.175 nan 8.310 nan 0.000 0.520 301 T N -1.469 113.229 114.554 0.240 0.000 2.906 301 T HA 0.713 5.064 4.350 0.000 0.000 0.295 301 T C -0.636 174.134 174.700 0.116 0.000 1.075 301 T CA -0.766 61.481 62.100 0.244 0.000 1.005 301 T CB 1.602 70.645 68.868 0.291 0.000 1.136 301 T HN 0.719 nan 8.240 nan 0.000 0.498 302 S N 2.193 117.932 115.700 0.064 0.000 2.561 302 S HA 0.568 5.038 4.470 0.000 0.000 0.303 302 S C -2.604 171.873 174.600 -0.206 0.000 1.110 302 S CA -1.808 56.355 58.200 -0.062 0.000 1.034 302 S CB 1.388 64.549 63.200 -0.065 0.000 1.010 302 S HN 0.653 nan 8.310 nan 0.000 0.482 303 P HA 0.142 nan 4.420 nan 0.000 0.232 303 P C -1.110 175.199 177.300 -1.652 0.000 1.738 303 P CA -0.115 62.281 63.100 -1.174 0.000 0.948 303 P CB -0.966 29.996 31.700 -1.231 0.000 1.943 304 N N -0.676 117.494 118.700 -0.883 0.000 2.242 304 N HA 0.472 5.212 4.740 0.000 0.000 0.292 304 N C -1.367 173.964 175.510 -0.298 0.000 1.125 304 N CA -0.620 52.066 53.050 -0.606 0.000 0.783 304 N CB 2.302 40.569 38.487 -0.365 0.000 1.558 304 N HN -0.034 nan 8.380 nan 0.000 0.472 305 S N -0.091 115.338 115.700 -0.453 0.000 2.873 305 S HA 0.911 5.381 4.470 0.000 0.000 0.303 305 S C -1.029 173.170 174.600 -0.669 0.000 1.222 305 S CA 0.036 57.994 58.200 -0.403 0.000 0.923 305 S CB 1.068 64.146 63.200 -0.204 0.000 1.286 305 S HN 1.126 nan 8.310 nan 0.000 0.571 306 G N -0.502 108.111 108.800 -0.312 0.000 2.490 306 G HA2 0.366 4.327 3.960 0.000 0.000 0.308 306 G HA3 0.366 4.327 3.960 0.000 0.000 0.308 306 G C -0.353 174.743 174.900 0.326 0.000 1.286 306 G CA 0.041 45.129 45.100 -0.020 0.000 0.825 306 G HN 0.803 nan 8.290 nan 0.000 0.479 307 H N -0.738 118.481 119.070 0.249 0.000 2.387 307 H HA 0.054 4.610 4.556 0.000 0.000 0.299 307 H C 2.507 177.963 175.328 0.213 0.000 1.090 307 H CA 1.491 57.708 56.048 0.281 0.000 1.332 307 H CB 0.149 30.066 29.762 0.259 0.000 1.386 307 H HN 0.165 nan 8.280 nan 0.000 0.516 308 L N 0.288 121.697 121.223 0.310 0.000 2.012 308 L HA -0.152 4.189 4.340 0.000 0.000 0.210 308 L C 2.589 179.650 176.870 0.318 0.000 1.073 308 L CA 1.840 56.832 54.840 0.254 0.000 0.748 308 L CB -1.686 40.482 42.059 0.182 0.000 0.891 308 L HN 0.463 nan 8.230 nan 0.000 0.431 309 A N -1.385 121.584 122.820 0.249 0.000 2.121 309 A HA -0.161 4.159 4.320 0.000 0.000 0.218 309 A C 2.512 179.947 177.584 -0.248 0.000 1.154 309 A CA 1.360 53.514 52.037 0.196 0.000 0.679 309 A CB -0.523 18.592 19.000 0.192 0.000 0.795 309 A HN 0.433 nan 8.150 nan 0.000 0.458 310 S N -0.272 115.210 115.700 -0.363 0.000 2.440 310 S HA -0.218 4.252 4.470 0.000 0.000 0.240 310 S C 1.619 175.980 174.600 -0.397 0.000 1.014 310 S CA 1.693 59.474 58.200 -0.697 0.000 0.980 310 S CB -0.764 62.246 63.200 -0.317 0.000 0.775 310 S HN 0.888 nan 8.310 nan 0.000 0.499 311 F N 1.086 120.903 119.950 -0.223 0.000 2.502 311 F HA 0.299 4.826 4.527 0.000 0.000 0.298 311 F C 1.986 177.723 175.800 -0.104 0.000 1.111 311 F CA 0.549 58.473 58.000 -0.126 0.000 1.445 311 F CB -1.021 37.973 39.000 -0.010 0.000 1.081 311 F HN 0.124 nan 8.300 nan 0.000 0.558 312 G N 1.160 109.302 108.800 -1.096 0.000 2.469 312 G HA2 -0.258 3.702 3.960 0.000 0.000 0.219 312 G HA3 -0.258 3.702 3.960 0.000 0.000 0.219 312 G C 1.885 176.498 174.900 -0.479 0.000 1.150 312 G CA 0.875 45.404 45.100 -0.951 0.000 0.763 312 G HN 0.616 nan 8.290 nan 0.000 0.561 313 G N 0.911 109.448 108.800 -0.438 0.000 2.491 313 G HA2 -0.038 3.922 3.960 0.000 0.000 0.218 313 G HA3 -0.038 3.922 3.960 0.000 0.000 0.218 313 G C 1.828 176.584 174.900 -0.240 0.000 1.180 313 G CA 1.476 46.391 45.100 -0.309 0.000 0.774 313 G HN 0.650 nan 8.290 nan 0.000 0.562 314 G N 0.322 108.926 108.800 -0.326 0.000 2.422 314 G HA2 -0.282 3.679 3.960 0.000 0.000 0.218 314 G HA3 -0.282 3.679 3.960 0.000 0.000 0.218 314 G C 1.681 176.209 174.900 -0.619 0.000 1.146 314 G CA 1.121 45.884 45.100 -0.562 0.000 0.769 314 G HN 0.508 nan 8.290 nan 0.000 0.547 315 N N -0.372 118.133 118.700 -0.325 0.000 2.188 315 N HA -0.066 4.674 4.740 0.000 0.000 0.184 315 N C 1.927 177.470 175.510 0.056 0.000 1.018 315 N CA 0.689 53.689 53.050 -0.084 0.000 0.858 315 N CB -0.151 38.439 38.487 0.171 0.000 0.989 315 N HN 0.287 nan 8.380 nan 0.000 0.426 316 F N 1.493 121.447 119.950 0.006 0.000 2.186 316 F HA 0.034 4.561 4.527 0.000 0.000 0.299 316 F C 2.287 178.175 175.800 0.148 0.000 1.090 316 F CA 0.678 58.784 58.000 0.176 0.000 1.307 316 F CB -0.134 38.922 39.000 0.092 0.000 1.019 316 F HN 0.010 nan 8.300 nan 0.000 0.489 317 I N -0.803 119.870 120.570 0.171 0.000 2.179 317 I HA -0.295 3.875 4.170 0.000 0.000 0.242 317 I C 2.385 178.563 176.117 0.103 0.000 1.088 317 I CA 0.876 62.242 61.300 0.111 0.000 1.357 317 I CB -0.467 37.546 38.000 0.022 0.000 1.051 317 I HN 0.115 nan 8.210 nan 0.000 0.409 318 L N 1.321 122.569 121.223 0.042 0.000 2.012 318 L HA -0.137 4.204 4.340 0.000 0.000 0.210 318 L C 2.371 179.208 176.870 -0.054 0.000 1.073 318 L CA 2.375 57.248 54.840 0.055 0.000 0.748 318 L CB -1.356 40.718 42.059 0.025 0.000 0.891 318 L HN 0.215 nan 8.230 nan 0.000 0.431 319 G N -1.112 107.553 108.800 -0.226 0.000 2.476 319 G HA2 -0.274 3.687 3.960 0.000 0.000 0.218 319 G HA3 -0.274 3.687 3.960 0.000 0.000 0.218 319 G C 1.522 176.423 174.900 0.002 0.000 1.164 319 G CA 0.701 45.493 45.100 -0.513 0.000 0.768 319 G HN 0.629 nan 8.290 nan 0.000 0.560 320 G N 0.686 109.632 108.800 0.243 0.000 2.432 320 G HA2 -0.120 3.840 3.960 0.000 0.000 0.219 320 G HA3 -0.120 3.840 3.960 0.000 0.000 0.219 320 G C 1.754 176.756 174.900 0.171 0.000 1.135 320 G CA 0.738 46.036 45.100 0.330 0.000 0.767 320 G HN 0.458 nan 8.290 nan 0.000 0.550 321 I N 0.677 121.316 120.570 0.115 0.000 2.113 321 I HA -0.148 4.022 4.170 0.000 0.000 0.238 321 I C 2.425 178.594 176.117 0.088 0.000 1.070 321 I CA 1.008 62.359 61.300 0.084 0.000 1.332 321 I CB -0.247 37.799 38.000 0.076 0.000 1.044 321 I HN 0.159 nan 8.210 nan 0.000 0.402 322 L N -0.790 120.488 121.223 0.091 0.000 2.465 322 L HA -0.004 4.337 4.340 0.000 0.000 0.224 322 L C 1.757 178.739 176.870 0.187 0.000 1.145 322 L CA 1.494 56.415 54.840 0.134 0.000 0.834 322 L CB -0.928 41.231 42.059 0.166 0.000 0.944 322 L HN 0.173 nan 8.230 nan 0.000 0.451 323 L N -0.708 120.605 121.223 0.150 0.000 2.664 323 L HA 0.251 4.592 4.340 0.000 0.000 0.233 323 L C 0.336 177.284 176.870 0.130 0.000 1.113 323 L CA -0.150 54.785 54.840 0.158 0.000 0.896 323 L CB -0.143 42.036 42.059 0.200 0.000 1.163 323 L HN 0.322 nan 8.230 nan 0.000 0.497 324 N N 1.677 120.443 118.700 0.111 0.000 2.725 324 N HA -0.164 4.576 4.740 0.000 0.000 0.251 324 N C -0.422 175.118 175.510 0.049 0.000 1.031 324 N CA 0.839 53.932 53.050 0.072 0.000 0.720 324 N CB -0.652 37.868 38.487 0.055 0.000 0.930 324 N HN 0.380 nan 8.380 nan 0.000 0.543 325 E N 0.649 120.887 120.200 0.063 0.000 2.141 325 E HA 0.124 4.474 4.350 0.000 0.000 0.259 325 E C 0.989 177.563 176.600 -0.043 0.000 0.883 325 E CA -0.454 55.914 56.400 -0.053 0.000 0.744 325 E CB 1.658 31.231 29.700 -0.212 0.000 1.150 325 E HN 0.208 nan 8.360 nan 0.000 0.420 326 Q N 3.615 123.387 119.800 -0.046 0.000 2.170 326 Q HA -0.199 4.142 4.340 0.000 0.000 0.203 326 Q C 1.716 177.706 176.000 -0.017 0.000 0.976 326 Q CA 1.854 57.650 55.803 -0.012 0.000 0.858 326 Q CB 0.080 28.808 28.738 -0.017 0.000 0.907 326 Q HN 0.481 nan 8.270 nan 0.000 0.433 327 K N -1.356 118.971 120.400 -0.121 0.000 2.103 327 K HA -0.221 4.100 4.320 0.000 0.000 0.207 327 K C 1.769 178.402 176.600 0.055 0.000 1.048 327 K CA 1.762 57.978 56.287 -0.118 0.000 0.930 327 K CB -0.753 31.577 32.500 -0.284 0.000 0.716 327 K HN 0.378 nan 8.250 nan 0.000 0.444 328 Y N 1.178 121.579 120.300 0.169 0.000 2.263 328 Y HA -0.033 4.518 4.550 0.000 0.000 0.292 328 Y C 2.408 178.486 175.900 0.297 0.000 1.130 328 Y CA 0.293 58.585 58.100 0.320 0.000 1.179 328 Y CB -0.098 38.575 38.460 0.353 0.000 0.998 328 Y HN -0.067 nan 8.280 nan 0.000 0.532 329 I N -0.039 120.718 120.570 0.311 0.000 2.252 329 I HA -0.278 3.893 4.170 0.000 0.000 0.245 329 I C 1.731 177.911 176.117 0.106 0.000 1.102 329 I CA 1.144 62.547 61.300 0.172 0.000 1.385 329 I CB -0.334 37.724 38.000 0.096 0.000 1.064 329 I HN 0.218 nan 8.210 nan 0.000 0.414 330 D N 0.747 121.209 120.400 0.104 0.000 2.097 330 D HA -0.225 4.415 4.640 0.000 0.000 0.195 330 D C 1.981 178.315 176.300 0.058 0.000 0.989 330 D CA 1.398 55.437 54.000 0.064 0.000 0.827 330 D CB -0.447 40.388 40.800 0.057 0.000 0.966 330 D HN 0.259 nan 8.370 nan 0.000 0.456 331 F N 1.564 121.483 119.950 -0.053 0.000 2.095 331 F HA -0.147 4.380 4.527 0.000 0.000 0.298 331 F C 2.324 177.984 175.800 -0.235 0.000 1.104 331 F CA 2.013 59.906 58.000 -0.178 0.000 1.232 331 F CB -0.316 38.529 39.000 -0.258 0.000 0.987 331 F HN -0.019 nan 8.300 nan 0.000 0.475 332 G N 0.677 109.428 108.800 -0.083 0.000 2.440 332 G HA2 -0.268 3.692 3.960 0.000 0.000 0.218 332 G HA3 -0.268 3.692 3.960 0.000 0.000 0.218 332 G C 1.716 176.456 174.900 -0.266 0.000 1.154 332 G CA 1.276 46.265 45.100 -0.185 0.000 0.767 332 G HN 0.487 nan 8.290 nan 0.000 0.552 333 I N 0.255 120.711 120.570 -0.191 0.000 2.286 333 I HA -0.172 3.998 4.170 0.000 0.000 0.248 333 I C 2.792 178.836 176.117 -0.121 0.000 1.115 333 I CA 1.247 62.439 61.300 -0.179 0.000 1.392 333 I CB -0.165 37.808 38.000 -0.046 0.000 1.065 333 I HN 0.144 nan 8.210 nan 0.000 0.418 334 K N 0.639 120.917 120.400 -0.204 0.000 2.097 334 K HA -0.102 4.219 4.320 0.000 0.000 0.205 334 K C 2.081 178.499 176.600 -0.303 0.000 1.050 334 K CA 1.161 57.305 56.287 -0.239 0.000 0.938 334 K CB -0.086 32.227 32.500 -0.313 0.000 0.718 334 K HN 0.311 nan 8.250 nan 0.000 0.442 335 L N 0.254 121.218 121.223 -0.432 0.000 2.072 335 L HA -0.107 4.234 4.340 0.000 0.000 0.205 335 L C 2.608 179.473 176.870 -0.010 0.000 1.079 335 L CA 0.896 55.574 54.840 -0.271 0.000 0.752 335 L CB -0.619 41.162 42.059 -0.463 0.000 0.906 335 L HN 0.170 nan 8.230 nan 0.000 0.436 336 A N 0.699 123.455 122.820 -0.107 0.000 1.865 336 A HA -0.251 4.070 4.320 0.000 0.000 0.217 336 A C 2.566 180.257 177.584 0.179 0.000 1.191 336 A CA 2.380 54.400 52.037 -0.028 0.000 0.623 336 A CB -0.819 18.032 19.000 -0.247 0.000 0.826 336 A HN 0.524 nan 8.150 nan 0.000 0.444 337 S N -0.588 115.242 115.700 0.217 0.000 2.368 337 S HA -0.127 4.344 4.470 0.000 0.000 0.224 337 S C 2.085 176.779 174.600 0.157 0.000 1.029 337 S CA 1.603 59.971 58.200 0.280 0.000 0.988 337 S CB -0.782 62.555 63.200 0.229 0.000 0.838 337 S HN 0.435 nan 8.310 nan 0.000 0.462 338 S N 1.047 116.743 115.700 -0.008 0.000 2.359 338 S HA -0.040 4.431 4.470 0.000 0.000 0.224 338 S C 1.638 176.212 174.600 -0.044 0.000 1.035 338 S CA 1.516 59.591 58.200 -0.208 0.000 1.018 338 S CB -0.680 62.194 63.200 -0.543 0.000 0.876 338 S HN 0.643 nan 8.310 nan 0.000 0.448 339 Y N 0.056 120.409 120.300 0.089 0.000 2.352 339 Y HA -0.018 4.532 4.550 0.000 0.000 0.292 339 Y C 1.970 177.912 175.900 0.070 0.000 1.136 339 Y CA 0.660 58.823 58.100 0.105 0.000 1.227 339 Y CB -0.367 38.134 38.460 0.069 0.000 0.991 339 Y HN 0.306 nan 8.280 nan 0.000 0.545 340 F N -0.035 119.981 119.950 0.108 0.000 2.325 340 F HA 0.049 4.576 4.527 0.000 0.000 0.299 340 F C 2.267 178.121 175.800 0.090 0.000 1.090 340 F CA 1.192 59.232 58.000 0.066 0.000 1.392 340 F CB -0.613 38.417 39.000 0.049 0.000 1.053 340 F HN -0.049 nan 8.300 nan 0.000 0.521 341 G N -0.964 107.823 108.800 -0.021 0.000 2.462 341 G HA2 -0.250 3.710 3.960 0.000 0.000 0.220 341 G HA3 -0.250 3.710 3.960 0.000 0.000 0.220 341 G C 1.684 176.510 174.900 -0.123 0.000 1.121 341 G CA 1.338 46.389 45.100 -0.081 0.000 0.758 341 G HN 0.364 nan 8.290 nan 0.000 0.559 342 T N -0.533 113.861 114.554 -0.268 0.000 2.915 342 T HA -0.023 4.328 4.350 0.000 0.000 0.269 342 T C 1.889 176.492 174.700 -0.162 0.000 1.071 342 T CA 0.792 62.580 62.100 -0.520 0.000 1.132 342 T CB -0.161 68.157 68.868 -0.916 0.000 0.878 342 T HN 0.364 nan 8.240 nan 0.000 0.479 343 Y N 1.580 121.661 120.300 -0.366 0.000 2.177 343 Y HA -0.048 4.502 4.550 0.000 0.000 0.291 343 Y C 3.022 178.735 175.900 -0.312 0.000 1.117 343 Y CA 1.487 59.375 58.100 -0.353 0.000 1.114 343 Y CB -0.772 37.357 38.460 -0.552 0.000 1.017 343 Y HN 0.237 nan 8.280 nan 0.000 0.505 344 T N -1.896 112.466 114.554 -0.320 0.000 3.051 344 T HA -0.155 4.196 4.350 0.000 0.000 0.269 344 T C 1.371 176.067 174.700 -0.006 0.000 1.127 344 T CA 1.172 63.179 62.100 -0.154 0.000 1.107 344 T CB -0.247 68.532 68.868 -0.150 0.000 0.898 344 T HN 0.360 nan 8.240 nan 0.000 0.517 345 Q N 1.620 121.459 119.800 0.066 0.000 2.360 345 Q HA 0.130 4.471 4.340 0.000 0.000 0.202 345 Q C 0.658 176.835 176.000 0.295 0.000 0.915 345 Q CA 0.259 56.163 55.803 0.167 0.000 0.943 345 Q CB 0.346 29.196 28.738 0.188 0.000 1.064 345 Q HN 0.743 nan 8.270 nan 0.000 0.511 346 T N -4.367 110.304 114.554 0.195 0.000 2.943 346 T HA 0.570 4.921 4.350 0.000 0.000 0.284 346 T C 1.156 175.885 174.700 0.048 0.000 1.015 346 T CA -0.235 61.935 62.100 0.117 0.000 1.042 346 T CB 1.750 70.639 68.868 0.035 0.000 1.055 346 T HN 0.024 nan 8.240 nan 0.000 0.500 347 A N 1.810 124.638 122.820 0.012 0.000 1.892 347 A HA -0.094 4.227 4.320 0.000 0.000 0.218 347 A C 2.527 180.109 177.584 -0.002 0.000 1.188 347 A CA 2.357 54.398 52.037 0.007 0.000 0.631 347 A CB -1.507 17.486 19.000 -0.011 0.000 0.822 347 A HN 1.257 nan 8.150 nan 0.000 0.447 348 S N -1.881 113.805 115.700 -0.023 0.000 2.515 348 S HA 0.313 4.784 4.470 0.000 0.000 0.231 348 S C 1.544 176.122 174.600 -0.037 0.000 0.987 348 S CA 1.180 59.361 58.200 -0.032 0.000 0.936 348 S CB -0.507 62.661 63.200 -0.053 0.000 0.766 348 S HN 2.036 nan 8.310 nan 0.000 0.528 349 G N 0.781 109.559 108.800 -0.037 0.000 2.148 349 G HA2 -0.235 3.726 3.960 0.000 0.000 0.254 349 G HA3 -0.235 3.726 3.960 0.000 0.000 0.254 349 G C -0.054 174.801 174.900 -0.075 0.000 0.981 349 G CA 0.427 45.516 45.100 -0.020 0.000 0.670 349 G HN 0.604 nan 8.290 nan 0.000 0.528 350 I N 0.559 120.978 120.570 -0.253 0.000 2.530 350 I HA 0.605 4.775 4.170 0.000 0.000 0.297 350 I C 1.057 176.679 176.117 -0.824 0.000 1.011 350 I CA -0.758 60.138 61.300 -0.673 0.000 1.107 350 I CB 1.994 39.639 38.000 -0.591 0.000 1.285 350 I HN 0.110 nan 8.210 nan 0.000 0.436 351 G N 4.840 112.711 108.800 -1.549 0.000 2.476 351 G HA2 0.491 4.452 3.960 0.000 0.000 0.269 351 G HA3 0.491 4.452 3.960 0.000 0.000 0.269 351 G C -2.608 172.151 174.900 -0.235 0.000 1.195 351 G CA -0.928 43.759 45.100 -0.688 0.000 0.843 351 G HN 0.324 nan 8.290 nan 0.000 0.545 352 P HA 0.209 nan 4.420 nan 0.000 0.278 352 P C 0.410 177.770 177.300 0.099 0.000 1.258 352 P CA -0.412 62.711 63.100 0.038 0.000 0.811 352 P CB 2.016 33.777 31.700 0.102 0.000 1.063 353 E N 0.285 120.434 120.200 -0.085 0.000 2.072 353 E HA -0.013 4.337 4.350 0.000 0.000 0.191 353 E C 1.021 177.623 176.600 0.003 0.000 0.985 353 E CA 1.209 57.536 56.400 -0.121 0.000 0.801 353 E CB -0.459 28.883 29.700 -0.596 0.000 0.750 353 E HN 0.690 nan 8.360 nan 0.000 0.452 354 G N -0.066 108.722 108.800 -0.020 0.000 2.620 354 G HA2 0.517 4.477 3.960 0.000 0.000 0.301 354 G HA3 0.517 4.477 3.960 0.000 0.000 0.301 354 G C -1.141 173.814 174.900 0.091 0.000 1.347 354 G CA -0.606 44.483 45.100 -0.018 0.000 0.971 354 G HN 0.073 nan 8.290 nan 0.000 0.488 355 F N -0.508 119.406 119.950 -0.059 0.000 2.685 355 F HA 0.933 5.461 4.527 0.000 0.000 0.315 355 F C -0.351 175.333 175.800 -0.194 0.000 1.126 355 F CA -1.449 56.505 58.000 -0.077 0.000 0.950 355 F CB 1.460 40.408 39.000 -0.087 0.000 1.360 355 F HN 0.921 nan 8.300 nan 0.000 0.469 356 A N 0.501 123.171 122.820 -0.249 0.000 2.593 356 A HA 0.916 5.236 4.320 0.000 0.000 0.290 356 A C -2.062 175.070 177.584 -0.754 0.000 1.126 356 A CA -0.403 51.225 52.037 -0.681 0.000 0.695 356 A CB 1.236 19.638 19.000 -0.998 0.000 1.290 356 A HN 1.544 nan 8.150 nan 0.000 0.414 357 W N -1.432 119.419 121.300 -0.749 0.000 2.874 357 W HA 0.682 5.342 4.660 0.000 0.000 0.403 357 W C -2.079 174.412 176.519 -0.046 0.000 1.144 357 W CA -1.027 56.125 57.345 -0.323 0.000 1.175 357 W CB 0.595 30.239 29.460 0.306 0.000 1.483 357 W HN 0.501 nan 8.180 nan 0.000 0.591 358 V N 1.952 122.090 119.914 0.373 0.000 2.398 358 V HA 0.164 4.284 4.120 0.000 0.000 0.286 358 V C -0.523 175.828 176.094 0.428 0.000 1.026 358 V CA -0.364 62.105 62.300 0.281 0.000 0.868 358 V CB 0.958 32.990 31.823 0.348 0.000 0.982 358 V HN 0.546 nan 8.190 nan 0.000 0.443 359 D N 3.364 123.913 120.400 0.250 0.000 2.434 359 D HA 0.020 4.660 4.640 0.000 0.000 0.252 359 D C 1.509 177.985 176.300 0.294 0.000 1.185 359 D CA 0.733 54.935 54.000 0.337 0.000 0.886 359 D CB 1.233 42.161 40.800 0.214 0.000 1.148 359 D HN 0.680 nan 8.370 nan 0.000 0.483 360 S N 2.051 117.942 115.700 0.318 0.000 2.440 360 S HA -0.167 4.304 4.470 0.000 0.000 0.238 360 S C 1.556 176.257 174.600 0.168 0.000 1.010 360 S CA 0.994 59.332 58.200 0.229 0.000 0.972 360 S CB -0.133 63.192 63.200 0.207 0.000 0.774 360 S HN 0.367 nan 8.310 nan 0.000 0.501 361 V N 2.245 122.261 119.914 0.170 0.000 2.391 361 V HA -0.025 4.095 4.120 0.000 0.000 0.237 361 V C 3.030 179.193 176.094 0.114 0.000 1.046 361 V CA 1.703 64.080 62.300 0.127 0.000 1.053 361 V CB -1.133 30.763 31.823 0.123 0.000 0.704 361 V HN 0.755 nan 8.190 nan 0.000 0.475 362 T N -1.539 113.088 114.554 0.121 0.000 3.055 362 T HA 0.133 4.483 4.350 0.000 0.000 0.265 362 T C 1.528 176.288 174.700 0.099 0.000 1.111 362 T CA 0.939 63.101 62.100 0.104 0.000 1.118 362 T CB -0.056 68.875 68.868 0.105 0.000 0.909 362 T HN 1.171 nan 8.240 nan 0.000 0.501 363 G N 1.390 110.262 108.800 0.119 0.000 2.221 363 G HA2 0.026 3.987 3.960 0.000 0.000 0.265 363 G HA3 0.026 3.987 3.960 0.000 0.000 0.265 363 G C 0.146 175.102 174.900 0.093 0.000 1.041 363 G CA 0.007 45.177 45.100 0.117 0.000 0.807 363 G HN 1.170 nan 8.290 nan 0.000 0.502 364 A N -1.361 121.506 122.820 0.079 0.000 2.282 364 A HA 0.979 5.300 4.320 0.000 0.000 0.319 364 A C 1.562 179.148 177.584 0.002 0.000 1.121 364 A CA 0.749 52.811 52.037 0.042 0.000 0.836 364 A CB 1.272 20.294 19.000 0.036 0.000 1.146 364 A HN 2.212 nan 8.150 nan 0.000 0.494 365 G N -0.880 107.914 108.800 -0.009 0.000 2.205 365 G HA2 0.342 4.302 3.960 0.000 0.000 0.180 365 G HA3 0.342 4.302 3.960 0.000 0.000 0.180 365 G C 1.601 176.557 174.900 0.092 0.000 1.004 365 G CA 0.680 45.765 45.100 -0.026 0.000 0.670 365 G HN 2.900 nan 8.290 nan 0.000 0.496 366 G N -0.531 108.310 108.800 0.068 0.000 2.514 366 G HA2 0.297 4.257 3.960 0.000 0.000 0.265 366 G HA3 0.297 4.257 3.960 0.000 0.000 0.265 366 G C 0.346 175.263 174.900 0.028 0.000 1.150 366 G CA 1.542 46.670 45.100 0.047 0.000 0.959 366 G HN 2.502 nan 8.290 nan 0.000 0.556 367 S N -0.174 115.469 115.700 -0.095 0.000 2.579 367 S HA 0.770 5.240 4.470 0.000 0.000 0.272 367 S C -3.263 170.853 174.600 -0.808 0.000 1.141 367 S CA -0.578 57.441 58.200 -0.301 0.000 0.843 367 S CB 2.280 65.370 63.200 -0.184 0.000 1.122 367 S HN 0.717 nan 8.310 nan 0.000 0.468 368 P HA 0.306 nan 4.420 nan 0.000 0.269 368 P C -2.438 174.369 177.300 -0.821 0.000 1.209 368 P CA -0.839 61.298 63.100 -1.605 0.000 0.776 368 P CB -0.359 30.823 31.700 -0.863 0.000 0.876 369 P HA -0.019 nan 4.420 nan 0.000 0.271 369 P C 0.826 177.988 177.300 -0.229 0.000 1.218 369 P CA -0.005 62.885 63.100 -0.351 0.000 0.780 369 P CB 0.709 32.260 31.700 -0.248 0.000 0.901 370 S N 2.034 117.645 115.700 -0.149 0.000 2.389 370 S HA -0.245 4.225 4.470 0.000 0.000 0.231 370 S C 1.854 176.417 174.600 -0.062 0.000 1.052 370 S CA 2.001 60.145 58.200 -0.092 0.000 1.053 370 S CB -1.735 61.425 63.200 -0.066 0.000 0.886 370 S HN 0.638 nan 8.310 nan 0.000 0.456 371 S N 0.781 116.445 115.700 -0.059 0.000 2.507 371 S HA 0.021 4.491 4.470 0.000 0.000 0.235 371 S C 1.543 176.130 174.600 -0.022 0.000 0.988 371 S CA 0.603 58.782 58.200 -0.036 0.000 0.944 371 S CB -0.414 62.765 63.200 -0.036 0.000 0.762 371 S HN 0.750 nan 8.310 nan 0.000 0.526 372 Q N 0.124 119.906 119.800 -0.029 0.000 2.171 372 Q HA 0.309 4.650 4.340 0.000 0.000 0.218 372 Q C 1.531 177.597 176.000 0.110 0.000 0.822 372 Q CA 0.102 55.934 55.803 0.049 0.000 0.987 372 Q CB 0.440 29.211 28.738 0.055 0.000 1.144 372 Q HN 0.547 nan 8.270 nan 0.000 0.494 373 S N 0.798 116.514 115.700 0.027 0.000 2.359 373 S HA -0.189 4.281 4.470 0.000 0.000 0.223 373 S C 1.885 176.559 174.600 0.122 0.000 1.039 373 S CA 1.983 60.211 58.200 0.047 0.000 1.042 373 S CB -0.318 62.883 63.200 0.002 0.000 0.915 373 S HN 0.620 nan 8.310 nan 0.000 0.439 374 G N -0.065 108.796 108.800 0.100 0.000 2.418 374 G HA2 -0.176 3.784 3.960 0.000 0.000 0.217 374 G HA3 -0.176 3.784 3.960 0.000 0.000 0.217 374 G C 1.298 176.264 174.900 0.111 0.000 1.158 374 G CA 0.822 45.975 45.100 0.088 0.000 0.771 374 G HN 0.577 nan 8.290 nan 0.000 0.545 375 F N 0.219 120.176 119.950 0.011 0.000 2.095 375 F HA -0.169 4.358 4.527 0.000 0.000 0.298 375 F C 2.343 178.142 175.800 -0.002 0.000 1.104 375 F CA 1.779 59.767 58.000 -0.021 0.000 1.232 375 F CB -0.211 38.764 39.000 -0.042 0.000 0.987 375 F HN 0.201 nan 8.300 nan 0.000 0.475 376 Y N 0.617 120.954 120.300 0.062 0.000 2.333 376 Y HA -0.185 4.365 4.550 0.000 0.000 0.290 376 Y C 2.429 178.318 175.900 -0.018 0.000 1.144 376 Y CA 1.616 59.749 58.100 0.056 0.000 1.228 376 Y CB -0.830 37.801 38.460 0.284 0.000 0.985 376 Y HN 0.051 nan 8.280 nan 0.000 0.542 377 S N -1.044 114.567 115.700 -0.149 0.000 2.428 377 S HA -0.130 4.341 4.470 0.000 0.000 0.230 377 S C 2.051 176.497 174.600 -0.257 0.000 1.014 377 S CA 1.260 59.335 58.200 -0.208 0.000 0.957 377 S CB -0.339 62.824 63.200 -0.061 0.000 0.784 377 S HN 0.699 nan 8.310 nan 0.000 0.499 378 S N 0.282 115.805 115.700 -0.294 0.000 2.539 378 S HA 0.417 4.887 4.470 0.000 0.000 0.226 378 S C 1.775 176.158 174.600 -0.363 0.000 1.054 378 S CA 0.300 58.335 58.200 -0.276 0.000 0.910 378 S CB -0.044 63.029 63.200 -0.211 0.000 0.818 378 S HN 0.366 nan 8.310 nan 0.000 0.490 379 A N 1.416 123.876 122.820 -0.601 0.000 1.935 379 A HA 0.571 4.892 4.320 0.000 0.000 0.214 379 A C 1.909 179.328 177.584 -0.275 0.000 1.178 379 A CA 0.942 52.591 52.037 -0.647 0.000 0.640 379 A CB -1.088 16.926 19.000 -1.643 0.000 0.825 379 A HN 1.600 nan 8.150 nan 0.000 0.447 380 G N -2.149 106.461 108.800 -0.318 0.000 2.141 380 G HA2 -0.116 3.844 3.960 0.000 0.000 0.231 380 G HA3 -0.116 3.844 3.960 0.000 0.000 0.231 380 G C 0.084 175.264 174.900 0.467 0.000 0.984 380 G CA 0.474 45.517 45.100 -0.095 0.000 0.660 380 G HN 1.809 nan 8.290 nan 0.000 0.525 381 F N -3.027 117.186 119.950 0.438 0.000 2.858 381 F HA 0.702 5.229 4.527 0.000 0.000 0.319 381 F C -1.282 175.004 175.800 0.811 0.000 1.166 381 F CA -1.854 56.526 58.000 0.634 0.000 0.899 381 F CB 0.264 39.385 39.000 0.201 0.000 1.332 381 F HN 0.636 nan 8.300 nan 0.000 0.461 382 W N 1.189 122.832 121.300 0.572 0.000 3.138 382 W HA 0.788 5.448 4.660 0.000 0.000 0.331 382 W C -2.235 174.543 176.519 0.433 0.000 1.166 382 W CA -1.850 55.702 57.345 0.345 0.000 1.212 382 W CB 0.633 30.225 29.460 0.220 0.000 1.399 382 W HN 0.474 nan 8.180 nan 0.000 0.514 383 V N 3.275 123.478 119.914 0.482 0.000 2.637 383 V HA 0.193 4.314 4.120 0.000 0.000 0.296 383 V C 1.043 177.338 176.094 0.335 0.000 1.046 383 V CA 0.963 63.480 62.300 0.362 0.000 1.066 383 V CB 1.014 32.947 31.823 0.183 0.000 0.968 383 V HN 0.865 nan 8.190 nan 0.000 0.483 384 T N 0.349 115.039 114.554 0.227 0.000 2.959 384 T HA 0.466 4.816 4.350 0.000 0.000 0.254 384 T C 0.424 175.190 174.700 0.110 0.000 1.003 384 T CA 0.499 62.708 62.100 0.181 0.000 0.950 384 T CB 0.562 69.499 68.868 0.115 0.000 1.090 384 T HN 0.931 nan 8.240 nan 0.000 0.503 385 A N 2.774 125.626 122.820 0.053 0.000 2.651 385 A HA 0.650 4.970 4.320 0.000 0.000 0.290 385 A C -2.146 175.355 177.584 -0.139 0.000 1.185 385 A CA -1.391 50.612 52.037 -0.058 0.000 0.746 385 A CB 1.316 20.188 19.000 -0.213 0.000 1.213 385 A HN 0.057 nan 8.150 nan 0.000 0.429 386 P HA -0.115 nan 4.420 nan 0.000 0.222 386 P C 0.358 177.686 177.300 0.046 0.000 1.147 386 P CA 1.071 64.192 63.100 0.034 0.000 0.790 386 P CB -0.363 31.389 31.700 0.086 0.000 0.780 387 Y N -0.461 119.883 120.300 0.073 0.000 2.314 387 Y HA 0.465 5.015 4.550 0.000 0.000 0.334 387 Y C -0.230 175.747 175.900 0.129 0.000 1.266 387 Y CA -1.542 56.604 58.100 0.077 0.000 1.391 387 Y CB -0.031 38.454 38.460 0.042 0.000 1.306 387 Y HN -0.139 nan 8.280 nan 0.000 0.558 388 Y N 4.677 125.049 120.300 0.119 0.000 2.386 388 Y HA 0.449 4.999 4.550 0.000 0.000 0.334 388 Y C -0.415 175.543 175.900 0.097 0.000 1.002 388 Y CA -1.600 56.513 58.100 0.021 0.000 1.068 388 Y CB 1.448 39.879 38.460 -0.049 0.000 1.203 388 Y HN 0.764 nan 8.280 nan 0.000 0.443 389 I N 5.092 125.382 120.570 -0.467 0.000 3.517 389 I HA 0.322 4.492 4.170 0.000 0.000 0.346 389 I C -0.524 175.369 176.117 -0.374 0.000 1.510 389 I CA -0.466 60.658 61.300 -0.294 0.000 1.090 389 I CB 0.021 38.041 38.000 0.033 0.000 1.506 389 I HN 0.816 nan 8.210 nan 0.000 0.477 390 L N 0.123 120.728 121.223 -1.030 0.000 3.730 390 L HA -0.183 4.158 4.340 0.000 0.000 0.410 390 L C 0.271 177.248 176.870 0.179 0.000 1.234 390 L CA 0.531 55.161 54.840 -0.349 0.000 0.911 390 L CB -1.790 40.217 42.059 -0.086 0.000 1.942 390 L HN 0.615 nan 8.230 nan 0.000 0.860 391 R N 1.391 121.784 120.500 -0.178 0.000 2.582 391 R HA 0.223 4.563 4.340 0.000 0.000 0.271 391 R C -1.090 175.476 176.300 0.443 0.000 1.078 391 R CA -0.929 55.202 56.100 0.050 0.000 1.127 391 R CB 0.734 30.880 30.300 -0.257 0.000 1.038 391 R HN 0.029 nan 8.270 nan 0.000 0.500 392 P HA 0.051 nan 4.420 nan 0.000 0.226 392 P C 0.114 177.640 177.300 0.377 0.000 1.160 392 P CA 0.498 63.850 63.100 0.420 0.000 0.837 392 P CB 0.453 32.368 31.700 0.358 0.000 0.860 393 E N 0.557 120.957 120.200 0.334 0.000 2.240 393 E HA -0.234 4.117 4.350 0.000 0.000 0.236 393 E C 2.050 178.675 176.600 0.042 0.000 1.085 393 E CA 3.034 59.541 56.400 0.178 0.000 0.979 393 E CB -1.838 27.962 29.700 0.166 0.000 0.845 393 E HN 0.239 nan 8.360 nan 0.000 0.483 394 T N 0.463 115.003 114.554 -0.023 0.000 2.708 394 T HA -0.098 4.252 4.350 0.000 0.000 0.266 394 T C 1.965 176.656 174.700 -0.015 0.000 1.037 394 T CA 1.299 63.359 62.100 -0.066 0.000 1.146 394 T CB -0.319 68.461 68.868 -0.146 0.000 0.865 394 T HN 0.057 nan 8.240 nan 0.000 0.435 395 L N 0.728 121.997 121.223 0.077 0.000 2.083 395 L HA -0.112 4.228 4.340 0.000 0.000 0.209 395 L C 2.813 179.690 176.870 0.011 0.000 1.083 395 L CA 1.415 56.303 54.840 0.080 0.000 0.752 395 L CB -0.495 41.676 42.059 0.186 0.000 0.899 395 L HN 0.383 nan 8.230 nan 0.000 0.433 396 E N -0.083 120.063 120.200 -0.089 0.000 2.038 396 E HA -0.224 4.126 4.350 0.000 0.000 0.195 396 E C 2.206 178.730 176.600 -0.127 0.000 1.000 396 E CA 1.740 57.856 56.400 -0.474 0.000 0.803 396 E CB 0.065 29.432 29.700 -0.556 0.000 0.750 396 E HN 0.356 nan 8.360 nan 0.000 0.448 397 S N 0.612 116.263 115.700 -0.081 0.000 2.383 397 S HA -0.081 4.389 4.470 0.000 0.000 0.227 397 S C 1.966 176.508 174.600 -0.095 0.000 1.026 397 S CA 0.822 58.972 58.200 -0.084 0.000 0.981 397 S CB -0.187 62.920 63.200 -0.155 0.000 0.818 397 S HN 0.277 nan 8.310 nan 0.000 0.472 398 L N -0.052 121.130 121.223 -0.068 0.000 2.131 398 L HA -0.143 4.198 4.340 0.000 0.000 0.210 398 L C 2.279 179.119 176.870 -0.051 0.000 1.092 398 L CA 1.459 56.259 54.840 -0.066 0.000 0.759 398 L CB -0.538 41.531 42.059 0.016 0.000 0.903 398 L HN 0.404 nan 8.230 nan 0.000 0.435 399 Y N -0.442 119.781 120.300 -0.129 0.000 2.145 399 Y HA -0.327 4.223 4.550 0.000 0.000 0.286 399 Y C 2.456 178.262 175.900 -0.156 0.000 1.145 399 Y CA 1.640 59.655 58.100 -0.142 0.000 1.148 399 Y CB -0.374 37.963 38.460 -0.205 0.000 0.981 399 Y HN -0.002 nan 8.280 nan 0.000 0.507 400 Y N 0.116 120.205 120.300 -0.351 0.000 2.274 400 Y HA -0.207 4.343 4.550 0.000 0.000 0.290 400 Y C 2.640 178.262 175.900 -0.464 0.000 1.145 400 Y CA 1.307 59.156 58.100 -0.419 0.000 1.203 400 Y CB -0.845 37.475 38.460 -0.234 0.000 0.984 400 Y HN 0.307 nan 8.280 nan 0.000 0.533 401 A N -0.852 121.715 122.820 -0.421 0.000 1.902 401 A HA -0.261 4.060 4.320 0.000 0.000 0.217 401 A C 2.068 179.198 177.584 -0.757 0.000 1.181 401 A CA 1.701 53.224 52.037 -0.857 0.000 0.623 401 A CB -1.273 16.698 19.000 -1.715 0.000 0.818 401 A HN 0.637 nan 8.150 nan 0.000 0.443 402 Y N 0.091 120.067 120.300 -0.541 0.000 2.263 402 Y HA -0.140 4.410 4.550 0.000 0.000 0.292 402 Y C 2.397 178.156 175.900 -0.234 0.000 1.130 402 Y CA 1.520 59.503 58.100 -0.194 0.000 1.179 402 Y CB 0.015 38.434 38.460 -0.068 0.000 0.998 402 Y HN 0.136 nan 8.280 nan 0.000 0.532 403 R N -0.234 119.963 120.500 -0.506 0.000 2.152 403 R HA -0.103 4.237 4.340 0.000 0.000 0.232 403 R C 2.158 178.236 176.300 -0.370 0.000 1.117 403 R CA 1.152 56.934 56.100 -0.529 0.000 0.981 403 R CB -1.118 28.799 30.300 -0.638 0.000 0.870 403 R HN 0.420 nan 8.270 nan 0.000 0.451 404 V N 0.072 119.802 119.914 -0.306 0.000 3.307 404 V HA -0.028 4.092 4.120 0.000 0.000 0.253 404 V C 1.230 177.227 176.094 -0.162 0.000 1.149 404 V CA 1.463 63.649 62.300 -0.189 0.000 1.112 404 V CB 0.287 32.032 31.823 -0.130 0.000 0.777 404 V HN 0.256 nan 8.190 nan 0.000 0.464 405 T N -0.880 113.563 114.554 -0.186 0.000 3.038 405 T HA 0.297 4.647 4.350 0.000 0.000 0.244 405 T C 1.426 176.063 174.700 -0.105 0.000 1.016 405 T CA 0.785 62.845 62.100 -0.066 0.000 1.098 405 T CB 0.419 69.356 68.868 0.117 0.000 0.954 405 T HN 0.789 nan 8.240 nan 0.000 0.469 406 G N 2.324 110.947 108.800 -0.295 0.000 2.162 406 G HA2 -0.229 3.731 3.960 0.000 0.000 0.260 406 G HA3 -0.229 3.731 3.960 0.000 0.000 0.260 406 G C -0.127 174.757 174.900 -0.026 0.000 0.976 406 G CA 0.229 45.078 45.100 -0.419 0.000 0.655 406 G HN 0.559 nan 8.290 nan 0.000 0.533 407 D N 0.864 121.376 120.400 0.188 0.000 2.343 407 D HA 0.456 5.096 4.640 0.000 0.000 0.255 407 D C 1.890 178.402 176.300 0.353 0.000 1.187 407 D CA 0.513 54.653 54.000 0.234 0.000 0.875 407 D CB 0.941 41.849 40.800 0.181 0.000 1.136 407 D HN 0.325 nan 8.370 nan 0.000 0.469 408 S N 4.114 119.944 115.700 0.217 0.000 2.465 408 S HA -0.217 4.254 4.470 0.000 0.000 0.241 408 S C 1.708 176.306 174.600 -0.003 0.000 1.000 408 S CA 0.670 58.950 58.200 0.132 0.000 0.964 408 S CB -0.169 63.067 63.200 0.060 0.000 0.763 408 S HN 0.568 nan 8.310 nan 0.000 0.512 409 K N 0.671 120.995 120.400 -0.126 0.000 2.113 409 K HA -0.160 4.161 4.320 0.000 0.000 0.208 409 K C 1.481 177.843 176.600 -0.397 0.000 1.047 409 K CA 1.687 57.774 56.287 -0.333 0.000 0.928 409 K CB -0.429 31.734 32.500 -0.561 0.000 0.716 409 K HN 0.686 nan 8.250 nan 0.000 0.446 410 W N 1.264 122.553 121.300 -0.019 0.000 2.425 410 W HA -0.062 4.598 4.660 0.000 0.000 0.277 410 W C 2.328 178.763 176.519 -0.141 0.000 1.231 410 W CA 0.354 57.652 57.345 -0.078 0.000 1.248 410 W CB 0.009 29.488 29.460 0.030 0.000 1.117 410 W HN 0.248 nan 8.180 nan 0.000 0.568 411 Q N -0.021 119.778 119.800 -0.002 0.000 2.187 411 Q HA -0.144 4.197 4.340 0.000 0.000 0.199 411 Q C 1.517 177.642 176.000 0.209 0.000 0.957 411 Q CA 1.178 56.964 55.803 -0.028 0.000 0.857 411 Q CB -0.170 28.492 28.738 -0.126 0.000 0.929 411 Q HN 0.200 nan 8.270 nan 0.000 0.453 412 D N 0.459 120.910 120.400 0.085 0.000 2.097 412 D HA -0.124 4.516 4.640 0.000 0.000 0.197 412 D C 1.759 178.123 176.300 0.106 0.000 0.984 412 D CA 0.894 54.963 54.000 0.116 0.000 0.826 412 D CB 0.002 40.805 40.800 0.005 0.000 0.973 412 D HN 0.086 nan 8.370 nan 0.000 0.460 413 L N 1.032 122.189 121.223 -0.111 0.000 2.017 413 L HA -0.056 4.284 4.340 0.000 0.000 0.208 413 L C 2.430 179.201 176.870 -0.164 0.000 1.073 413 L CA 1.315 55.913 54.840 -0.404 0.000 0.745 413 L CB -1.158 40.346 42.059 -0.926 0.000 0.894 413 L HN -0.049 nan 8.230 nan 0.000 0.432 414 A N -1.319 121.496 122.820 -0.008 0.000 1.940 414 A HA -0.285 4.036 4.320 0.000 0.000 0.219 414 A C 2.294 180.093 177.584 0.358 0.000 1.176 414 A CA 1.652 53.759 52.037 0.116 0.000 0.631 414 A CB -1.199 17.802 19.000 0.002 0.000 0.814 414 A HN 0.685 nan 8.150 nan 0.000 0.446 415 W N 0.713 122.207 121.300 0.323 0.000 2.388 415 W HA -0.126 4.535 4.660 0.000 0.000 0.294 415 W C 1.677 178.325 176.519 0.216 0.000 1.212 415 W CA 1.569 59.110 57.345 0.327 0.000 1.271 415 W CB -0.032 29.544 29.460 0.193 0.000 1.126 415 W HN 0.530 nan 8.180 nan 0.000 0.535 416 E N 0.266 120.567 120.200 0.170 0.000 2.150 416 E HA -0.159 4.191 4.350 0.000 0.000 0.193 416 E C 2.374 179.051 176.600 0.128 0.000 0.985 416 E CA 1.210 57.675 56.400 0.108 0.000 0.814 416 E CB -0.220 29.652 29.700 0.287 0.000 0.752 416 E HN 0.231 nan 8.360 nan 0.000 0.466 417 A N 1.508 124.465 122.820 0.228 0.000 1.854 417 A HA -0.105 4.215 4.320 0.000 0.000 0.214 417 A C 2.118 179.802 177.584 0.166 0.000 1.192 417 A CA 0.605 52.797 52.037 0.258 0.000 0.611 417 A CB -0.554 18.555 19.000 0.181 0.000 0.832 417 A HN 0.238 nan 8.150 nan 0.000 0.442 418 L N 1.106 122.392 121.223 0.105 0.000 2.079 418 L HA -0.164 4.176 4.340 0.000 0.000 0.210 418 L C 2.587 179.401 176.870 -0.094 0.000 1.081 418 L CA 2.926 57.809 54.840 0.072 0.000 0.752 418 L CB -0.936 41.200 42.059 0.128 0.000 0.896 418 L HN 0.585 nan 8.230 nan 0.000 0.433 419 S N -0.400 115.089 115.700 -0.350 0.000 2.395 419 S HA -0.028 4.442 4.470 0.000 0.000 0.225 419 S C 2.188 176.725 174.600 -0.105 0.000 1.027 419 S CA 0.710 58.690 58.200 -0.366 0.000 0.965 419 S CB -0.498 62.321 63.200 -0.634 0.000 0.812 419 S HN 0.455 nan 8.310 nan 0.000 0.482 420 A N 1.968 124.764 122.820 -0.040 0.000 1.933 420 A HA 0.135 4.455 4.320 0.000 0.000 0.218 420 A C 2.193 179.801 177.584 0.041 0.000 1.175 420 A CA 1.318 53.366 52.037 0.018 0.000 0.628 420 A CB -0.790 18.244 19.000 0.057 0.000 0.814 420 A HN 0.585 nan 8.150 nan 0.000 0.444 421 I N -0.706 119.915 120.570 0.084 0.000 2.202 421 I HA -0.223 3.947 4.170 0.000 0.000 0.242 421 I C 2.539 178.765 176.117 0.181 0.000 1.091 421 I CA 1.404 62.785 61.300 0.135 0.000 1.368 421 I CB -0.443 37.713 38.000 0.259 0.000 1.058 421 I HN 0.412 nan 8.210 nan 0.000 0.410 422 E N 0.943 121.259 120.200 0.193 0.000 2.031 422 E HA -0.245 4.105 4.350 0.000 0.000 0.193 422 E C 1.763 178.503 176.600 0.234 0.000 0.994 422 E CA 1.657 58.258 56.400 0.337 0.000 0.800 422 E CB -0.121 29.749 29.700 0.283 0.000 0.752 422 E HN 0.423 nan 8.360 nan 0.000 0.447 423 D N 0.163 120.634 120.400 0.119 0.000 2.133 423 D HA -0.182 4.459 4.640 0.000 0.000 0.195 423 D C 1.634 177.967 176.300 0.056 0.000 0.997 423 D CA 1.610 55.652 54.000 0.070 0.000 0.840 423 D CB -0.112 40.710 40.800 0.037 0.000 0.947 423 D HN 0.215 nan 8.370 nan 0.000 0.452 424 A N -0.572 122.285 122.820 0.063 0.000 1.901 424 A HA -0.014 4.306 4.320 0.000 0.000 0.210 424 A C 2.177 179.793 177.584 0.053 0.000 1.208 424 A CA 0.573 52.637 52.037 0.045 0.000 0.644 424 A CB -0.427 18.591 19.000 0.031 0.000 0.863 424 A HN 0.365 nan 8.150 nan 0.000 0.454 425 C N 0.144 119.506 119.300 0.102 0.000 2.500 425 C HA 0.183 4.643 4.460 0.000 0.000 0.273 425 C C 1.268 176.272 174.990 0.024 0.000 1.428 425 C CA -0.481 58.590 59.018 0.089 0.000 1.766 425 C CB -1.364 26.446 27.740 0.118 0.000 1.817 425 C HN 0.329 nan 8.230 nan 0.000 0.543 426 R N 2.326 122.821 120.500 -0.009 0.000 2.457 426 R HA 0.404 4.744 4.340 0.000 0.000 0.335 426 R C -0.307 175.853 176.300 -0.235 0.000 1.003 426 R CA 0.224 56.126 56.100 -0.329 0.000 1.003 426 R CB -0.540 29.625 30.300 -0.225 0.000 0.950 426 R HN 0.516 nan 8.270 nan 0.000 0.428 427 A N 2.438 125.093 122.820 -0.274 0.000 2.520 427 A HA 0.642 4.962 4.320 0.000 0.000 0.298 427 A C 0.384 177.862 177.584 -0.177 0.000 1.051 427 A CA -0.027 51.906 52.037 -0.174 0.000 0.690 427 A CB 1.345 20.271 19.000 -0.123 0.000 1.281 427 A HN 0.844 nan 8.150 nan 0.000 0.402 428 G N 1.294 110.008 108.800 -0.143 0.000 2.611 428 G HA2 -0.196 3.764 3.960 0.000 0.000 0.301 428 G HA3 -0.196 3.764 3.960 0.000 0.000 0.301 428 G C 1.448 176.259 174.900 -0.149 0.000 1.233 428 G CA 1.471 46.484 45.100 -0.145 0.000 0.993 428 G HN 2.305 nan 8.290 nan 0.000 0.553 429 S N -0.004 115.597 115.700 -0.165 0.000 2.489 429 S HA 0.534 5.004 4.470 0.000 0.000 0.228 429 S C 1.320 175.894 174.600 -0.044 0.000 0.995 429 S CA 1.797 59.935 58.200 -0.104 0.000 0.934 429 S CB 0.001 63.094 63.200 -0.177 0.000 0.771 429 S HN 2.271 nan 8.310 nan 0.000 0.522 430 A N -0.197 122.562 122.820 -0.102 0.000 2.588 430 A HA 0.728 5.048 4.320 0.000 0.000 0.172 430 A C -1.496 175.841 177.584 -0.412 0.000 1.149 430 A CA -0.640 51.330 52.037 -0.111 0.000 1.987 430 A CB 0.050 19.140 19.000 0.151 0.000 2.500 430 A HN 0.302 nan 8.150 nan 0.000 0.982 431 Y N -0.308 119.898 120.300 -0.156 0.000 2.536 431 Y HA 0.761 5.311 4.550 0.000 0.000 0.347 431 Y C 0.376 176.066 175.900 -0.351 0.000 1.000 431 Y CA -0.174 57.734 58.100 -0.319 0.000 1.051 431 Y CB 2.206 40.283 38.460 -0.638 0.000 1.259 431 Y HN 0.659 nan 8.280 nan 0.000 0.468 432 S N 0.100 115.704 115.700 -0.159 0.000 2.579 432 S HA 0.620 5.090 4.470 0.000 0.000 0.272 432 S C -1.165 173.355 174.600 -0.134 0.000 1.141 432 S CA -0.758 57.348 58.200 -0.156 0.000 0.843 432 S CB 0.953 64.085 63.200 -0.113 0.000 1.122 432 S HN 0.587 nan 8.310 nan 0.000 0.468 433 S N 1.804 117.426 115.700 -0.129 0.000 2.568 433 S HA 0.374 4.845 4.470 0.000 0.000 0.282 433 S C -0.200 174.389 174.600 -0.018 0.000 1.338 433 S CA -0.143 58.002 58.200 -0.090 0.000 1.045 433 S CB 0.105 63.254 63.200 -0.084 0.000 0.873 433 S HN 0.554 nan 8.310 nan 0.000 0.516 434 I N 2.135 122.744 120.570 0.066 0.000 2.607 434 I HA 0.314 4.484 4.170 0.000 0.000 0.305 434 I C 1.124 177.311 176.117 0.116 0.000 0.995 434 I CA -0.341 61.015 61.300 0.092 0.000 1.148 434 I CB 1.488 39.576 38.000 0.146 0.000 1.323 434 I HN 0.519 nan 8.210 nan 0.000 0.461 435 N N 1.814 120.561 118.700 0.078 0.000 2.197 435 N HA -0.030 4.710 4.740 0.000 0.000 0.184 435 N C -0.253 175.335 175.510 0.129 0.000 1.030 435 N CA 0.969 54.074 53.050 0.091 0.000 0.851 435 N CB 0.122 38.630 38.487 0.035 0.000 1.003 435 N HN 0.516 nan 8.380 nan 0.000 0.430 436 D N 0.271 120.720 120.400 0.081 0.000 2.505 436 D HA 0.148 4.788 4.640 0.000 0.000 0.250 436 D C 0.319 176.638 176.300 0.033 0.000 1.164 436 D CA -0.340 53.697 54.000 0.062 0.000 0.870 436 D CB 2.064 42.884 40.800 0.033 0.000 1.160 436 D HN -0.274 nan 8.370 nan 0.000 0.549 437 V N 3.380 123.309 119.914 0.024 0.000 3.041 437 V HA -0.099 4.021 4.120 0.000 0.000 0.260 437 V C 1.800 177.867 176.094 -0.045 0.000 1.105 437 V CA 1.647 63.934 62.300 -0.021 0.000 1.125 437 V CB -0.073 31.719 31.823 -0.050 0.000 0.730 437 V HN 0.635 nan 8.190 nan 0.000 0.479 438 T N 0.005 114.530 114.554 -0.049 0.000 3.035 438 T HA -0.009 4.341 4.350 0.000 0.000 0.268 438 T C 0.757 175.416 174.700 -0.067 0.000 1.109 438 T CA 0.610 62.653 62.100 -0.094 0.000 1.119 438 T CB -0.137 68.655 68.868 -0.127 0.000 0.900 438 T HN 0.556 nan 8.240 nan 0.000 0.503 439 Q N -0.049 119.729 119.800 -0.037 0.000 2.257 439 Q HA 0.603 4.944 4.340 0.000 0.000 0.255 439 Q C 1.290 177.280 176.000 -0.017 0.000 0.920 439 Q CA -0.471 55.318 55.803 -0.024 0.000 0.927 439 Q CB 1.501 30.231 28.738 -0.014 0.000 1.229 439 Q HN 0.205 nan 8.270 nan 0.000 0.433 440 A N 3.250 126.063 122.820 -0.012 0.000 1.958 440 A HA -0.255 4.066 4.320 0.000 0.000 0.221 440 A C 1.514 179.096 177.584 -0.003 0.000 1.178 440 A CA 2.163 54.197 52.037 -0.005 0.000 0.642 440 A CB -0.463 18.538 19.000 0.001 0.000 0.816 440 A HN 0.905 nan 8.150 nan 0.000 0.453 441 N N -1.676 117.023 118.700 -0.002 0.000 2.412 441 N HA 0.201 4.941 4.740 0.000 0.000 0.184 441 N C 1.101 176.613 175.510 0.003 0.000 1.101 441 N CA 1.477 54.527 53.050 0.000 0.000 0.881 441 N CB 0.014 38.500 38.487 -0.002 0.000 0.969 441 N HN 0.855 nan 8.380 nan 0.000 0.459 442 G N -0.479 108.323 108.800 0.003 0.000 2.213 442 G HA2 -0.161 3.799 3.960 0.000 0.000 0.226 442 G HA3 -0.161 3.799 3.960 0.000 0.000 0.226 442 G C 0.839 175.750 174.900 0.019 0.000 0.992 442 G CA 0.241 45.349 45.100 0.014 0.000 0.632 442 G HN 1.226 nan 8.290 nan 0.000 0.511 443 G N -0.616 108.189 108.800 0.008 0.000 2.148 443 G HA2 0.456 4.417 3.960 0.000 0.000 0.254 443 G HA3 0.456 4.417 3.960 0.000 0.000 0.254 443 G C 1.592 176.494 174.900 0.003 0.000 0.981 443 G CA 0.877 45.982 45.100 0.008 0.000 0.670 443 G HN 2.934 nan 8.290 nan 0.000 0.528 444 G N -1.505 107.294 108.800 -0.002 0.000 2.784 444 G HA2 0.519 4.479 3.960 0.000 0.000 0.686 444 G HA3 0.519 4.479 3.960 0.000 0.000 0.686 444 G C 0.048 174.938 174.900 -0.016 0.000 1.156 444 G CA 0.725 45.817 45.100 -0.014 0.000 0.757 444 G HN 2.185 nan 8.290 nan 0.000 0.642 445 A N 1.105 123.906 122.820 -0.033 0.000 2.401 445 A HA 0.753 5.074 4.320 0.000 0.000 0.259 445 A C 1.476 179.023 177.584 -0.063 0.000 1.103 445 A CA 0.787 52.797 52.037 -0.045 0.000 0.789 445 A CB 0.561 19.523 19.000 -0.063 0.000 1.035 445 A HN 2.273 nan 8.150 nan 0.000 0.491 446 S N 1.029 116.685 115.700 -0.073 0.000 2.634 446 S HA 0.200 4.670 4.470 0.000 0.000 0.221 446 S C 0.153 174.665 174.600 -0.148 0.000 0.952 446 S CA 0.532 58.671 58.200 -0.103 0.000 0.930 446 S CB -0.364 62.773 63.200 -0.103 0.000 0.780 446 S HN 0.957 nan 8.310 nan 0.000 0.498 447 D N 0.982 121.300 120.400 -0.136 0.000 2.956 447 D HA -0.165 4.475 4.640 0.000 0.000 0.240 447 D C -1.011 175.146 176.300 -0.240 0.000 1.141 447 D CA 1.102 55.005 54.000 -0.161 0.000 0.820 447 D CB -1.457 39.240 40.800 -0.172 0.000 0.988 447 D HN 0.625 nan 8.370 nan 0.000 0.417 448 D N 1.232 121.541 120.400 -0.151 0.000 2.812 448 D HA 0.361 5.002 4.640 0.000 0.000 0.210 448 D C -1.259 175.002 176.300 -0.065 0.000 1.260 448 D CA -0.480 53.455 54.000 -0.108 0.000 0.817 448 D CB 0.776 41.474 40.800 -0.171 0.000 1.694 448 D HN 0.193 nan 8.370 nan 0.000 0.530 449 M N 3.352 122.965 119.600 0.021 0.000 1.998 449 M HA 0.313 4.793 4.480 0.000 0.000 0.289 449 M C -0.721 175.573 176.300 -0.010 0.000 0.886 449 M CA -0.552 54.725 55.300 -0.037 0.000 0.853 449 M CB 0.795 33.419 32.600 0.041 0.000 1.462 449 M HN 0.165 nan 8.290 nan 0.000 0.375 450 E N 1.249 121.325 120.200 -0.206 0.000 2.436 450 E HA -0.019 4.331 4.350 0.000 0.000 0.262 450 E C 1.044 177.466 176.600 -0.296 0.000 1.063 450 E CA 0.582 56.723 56.400 -0.431 0.000 0.944 450 E CB 1.020 29.998 29.700 -1.203 0.000 0.950 450 E HN 0.832 nan 8.360 nan 0.000 0.444 451 S N 2.344 117.929 115.700 -0.193 0.000 2.383 451 S HA -0.236 4.234 4.470 0.000 0.000 0.229 451 S C 1.758 176.448 174.600 0.150 0.000 1.030 451 S CA 1.578 59.807 58.200 0.048 0.000 1.002 451 S CB -0.649 62.555 63.200 0.007 0.000 0.829 451 S HN 0.560 nan 8.310 nan 0.000 0.467 452 F N 0.361 120.437 119.950 0.209 0.000 2.583 452 F HA 0.173 4.700 4.527 0.000 0.000 0.297 452 F C 2.063 177.985 175.800 0.205 0.000 1.131 452 F CA -0.489 57.608 58.000 0.163 0.000 1.467 452 F CB -1.268 37.802 39.000 0.118 0.000 1.097 452 F HN 0.390 nan 8.300 nan 0.000 0.586 453 W N 0.468 121.828 121.300 0.101 0.000 2.436 453 W HA -0.124 4.536 4.660 0.000 0.000 0.284 453 W C 0.883 177.378 176.519 -0.041 0.000 1.225 453 W CA 0.989 58.349 57.345 0.026 0.000 1.271 453 W CB -0.528 28.823 29.460 -0.183 0.000 1.114 453 W HN 0.115 nan 8.180 nan 0.000 0.559 454 F N 1.084 121.016 119.950 -0.030 0.000 2.219 454 F HA 0.051 4.579 4.527 0.000 0.000 0.294 454 F C 2.761 178.600 175.800 0.064 0.000 1.086 454 F CA 1.983 59.947 58.000 -0.059 0.000 1.330 454 F CB -1.026 37.971 39.000 -0.004 0.000 1.047 454 F HN -0.126 nan 8.300 nan 0.000 0.495 455 A N -0.761 122.210 122.820 0.252 0.000 2.021 455 A HA 0.011 4.331 4.320 0.000 0.000 0.216 455 A C 1.854 179.395 177.584 -0.073 0.000 1.163 455 A CA 1.194 53.294 52.037 0.104 0.000 0.676 455 A CB -0.213 18.832 19.000 0.076 0.000 0.818 455 A HN 0.372 nan 8.150 nan 0.000 0.453 456 E N -1.058 119.143 120.200 0.000 0.000 2.476 456 E HA 0.235 4.586 4.350 0.000 0.000 0.193 456 E C 2.304 178.908 176.600 0.008 0.000 0.966 456 E CA 0.472 56.838 56.400 -0.057 0.000 1.114 456 E CB -0.201 29.578 29.700 0.133 0.000 1.151 456 E HN 0.383 nan 8.360 nan 0.000 0.487 457 A N 1.849 124.742 122.820 0.121 0.000 1.865 457 A HA -0.168 4.152 4.320 0.000 0.000 0.217 457 A C 2.225 179.740 177.584 -0.115 0.000 1.191 457 A CA 1.394 53.500 52.037 0.115 0.000 0.623 457 A CB -0.819 18.342 19.000 0.270 0.000 0.826 457 A HN 0.116 nan 8.150 nan 0.000 0.444 458 L N -1.178 119.820 121.223 -0.376 0.000 2.217 458 L HA -0.109 4.231 4.340 0.000 0.000 0.211 458 L C 2.481 179.273 176.870 -0.131 0.000 1.107 458 L CA 1.486 56.130 54.840 -0.326 0.000 0.783 458 L CB -0.306 41.501 42.059 -0.421 0.000 0.919 458 L HN 0.407 nan 8.230 nan 0.000 0.442 459 K N 0.139 120.429 120.400 -0.183 0.000 1.973 459 K HA -0.207 4.114 4.320 0.000 0.000 0.212 459 K C 2.056 178.507 176.600 -0.248 0.000 1.047 459 K CA 1.890 58.029 56.287 -0.246 0.000 0.937 459 K CB -0.488 31.763 32.500 -0.415 0.000 0.721 459 K HN 0.026 nan 8.250 nan 0.000 0.440 460 Y N 0.477 120.645 120.300 -0.220 0.000 2.274 460 Y HA -0.060 4.490 4.550 0.000 0.000 0.290 460 Y C 2.236 177.989 175.900 -0.245 0.000 1.145 460 Y CA 1.021 58.888 58.100 -0.388 0.000 1.203 460 Y CB -0.880 37.403 38.460 -0.294 0.000 0.984 460 Y HN 0.250 nan 8.280 nan 0.000 0.533 461 A N -0.856 121.994 122.820 0.051 0.000 1.898 461 A HA -0.219 4.101 4.320 0.000 0.000 0.216 461 A C 2.117 179.760 177.584 0.097 0.000 1.181 461 A CA 1.477 53.561 52.037 0.079 0.000 0.620 461 A CB -1.270 17.831 19.000 0.167 0.000 0.819 461 A HN 0.564 nan 8.150 nan 0.000 0.442 462 Y N 0.114 120.421 120.300 0.012 0.000 2.133 462 Y HA -0.165 4.385 4.550 0.000 0.000 0.287 462 Y C 1.927 177.839 175.900 0.021 0.000 1.134 462 Y CA 1.757 59.895 58.100 0.064 0.000 1.133 462 Y CB -0.284 38.155 38.460 -0.035 0.000 0.987 462 Y HN 0.189 nan 8.280 nan 0.000 0.502 463 L N 0.625 121.762 121.223 -0.143 0.000 2.081 463 L HA -0.267 4.074 4.340 0.000 0.000 0.212 463 L C 2.458 179.291 176.870 -0.061 0.000 1.080 463 L CA 1.730 56.466 54.840 -0.174 0.000 0.754 463 L CB -1.015 40.916 42.059 -0.213 0.000 0.893 463 L HN 0.455 nan 8.230 nan 0.000 0.433 464 I N -1.782 118.725 120.570 -0.104 0.000 2.700 464 I HA -0.300 3.870 4.170 0.000 0.000 0.261 464 I C 1.417 177.258 176.117 -0.461 0.000 1.219 464 I CA 0.946 62.146 61.300 -0.167 0.000 1.463 464 I CB 0.051 37.827 38.000 -0.373 0.000 1.092 464 I HN 0.136 nan 8.210 nan 0.000 0.452 465 F N 0.197 120.066 119.950 -0.134 0.000 2.712 465 F HA 0.403 4.930 4.527 0.000 0.000 0.297 465 F C 1.593 177.244 175.800 -0.249 0.000 1.114 465 F CA -0.032 57.849 58.000 -0.197 0.000 1.305 465 F CB -1.024 37.876 39.000 -0.166 0.000 1.086 465 F HN -0.105 nan 8.300 nan 0.000 0.599 466 A N 0.817 123.477 122.820 -0.266 0.000 2.307 466 A HA 0.345 4.665 4.320 0.000 0.000 0.271 466 A C 0.321 177.846 177.584 -0.097 0.000 1.188 466 A CA -0.343 51.472 52.037 -0.371 0.000 0.810 466 A CB -0.136 18.390 19.000 -0.790 0.000 1.123 466 A HN 0.272 nan 8.150 nan 0.000 0.509 467 E N -0.664 119.511 120.200 -0.041 0.000 2.312 467 E HA 0.512 4.863 4.350 0.000 0.000 0.259 467 E C 0.437 177.069 176.600 0.053 0.000 1.122 467 E CA -0.039 56.377 56.400 0.025 0.000 0.922 467 E CB -0.382 29.341 29.700 0.038 0.000 1.109 467 E HN 0.835 nan 8.360 nan 0.000 0.442 468 E N -0.023 120.210 120.200 0.055 0.000 2.418 468 E HA 0.415 4.766 4.350 0.000 0.000 0.261 468 E C 0.158 176.795 176.600 0.061 0.000 1.070 468 E CA 0.274 56.710 56.400 0.060 0.000 0.931 468 E CB 0.518 30.242 29.700 0.040 0.000 0.954 468 E HN 0.593 nan 8.360 nan 0.000 0.439 469 S N -0.545 115.199 115.700 0.073 0.000 2.643 469 S HA 0.290 4.760 4.470 0.000 0.000 0.266 469 S C -0.180 174.470 174.600 0.083 0.000 1.130 469 S CA 0.063 58.300 58.200 0.062 0.000 0.817 469 S CB 1.209 64.486 63.200 0.128 0.000 1.107 469 S HN 0.532 nan 8.310 nan 0.000 0.471 470 D N 0.776 121.222 120.400 0.077 0.000 2.219 470 D HA -0.002 4.639 4.640 0.000 0.000 0.205 470 D C 1.747 178.186 176.300 0.231 0.000 0.970 470 D CA 1.242 55.353 54.000 0.186 0.000 0.851 470 D CB -0.008 40.970 40.800 0.296 0.000 0.943 470 D HN 0.286 nan 8.370 nan 0.000 0.488 471 V N 0.699 120.624 119.914 0.019 0.000 3.129 471 V HA -0.053 4.067 4.120 0.000 0.000 0.259 471 V C 1.012 177.203 176.094 0.162 0.000 1.116 471 V CA 0.510 62.735 62.300 -0.125 0.000 1.127 471 V CB -0.341 31.292 31.823 -0.316 0.000 0.742 471 V HN 0.164 nan 8.190 nan 0.000 0.474 472 Q N 0.799 120.729 119.800 0.216 0.000 2.337 472 Q HA 0.202 4.543 4.340 0.000 0.000 0.270 472 Q C -0.193 175.958 176.000 0.253 0.000 1.002 472 Q CA 0.024 56.004 55.803 0.294 0.000 0.888 472 Q CB 1.705 30.563 28.738 0.200 0.000 1.222 472 Q HN 0.270 nan 8.270 nan 0.000 0.400 473 V N 3.370 123.441 119.914 0.261 0.000 2.529 473 V HA -0.100 4.020 4.120 0.000 0.000 0.292 473 V C 0.389 176.490 176.094 0.011 0.000 1.028 473 V CA 0.242 62.611 62.300 0.115 0.000 1.074 473 V CB 0.653 32.425 31.823 -0.085 0.000 0.958 473 V HN 0.638 nan 8.190 nan 0.000 0.481 474 Q N 3.379 123.205 119.800 0.043 0.000 2.278 474 Q HA 0.557 4.897 4.340 0.000 0.000 0.257 474 Q C 0.907 176.902 176.000 -0.009 0.000 0.928 474 Q CA 0.389 56.197 55.803 0.008 0.000 0.932 474 Q CB 1.563 30.320 28.738 0.031 0.000 1.221 474 Q HN 0.828 nan 8.270 nan 0.000 0.434 475 A N 2.877 125.670 122.820 -0.045 0.000 1.917 475 A HA -0.106 4.214 4.320 0.000 0.000 0.219 475 A C 0.440 178.019 177.584 -0.008 0.000 1.182 475 A CA 1.933 53.944 52.037 -0.043 0.000 0.633 475 A CB 0.139 19.097 19.000 -0.070 0.000 0.819 475 A HN 0.675 nan 8.150 nan 0.000 0.448 476 T N -1.555 112.996 114.554 -0.004 0.000 3.670 476 T HA 0.479 4.829 4.350 0.000 0.000 0.238 476 T C -0.300 174.404 174.700 0.006 0.000 0.793 476 T CA 0.163 62.268 62.100 0.008 0.000 1.523 476 T CB 0.343 69.215 68.868 0.007 0.000 0.854 476 T HN 1.091 nan 8.240 nan 0.000 0.591 477 G N 0.711 109.517 108.800 0.009 0.000 4.377 477 G HA2 0.516 4.476 3.960 0.000 0.000 0.251 477 G HA3 0.516 4.476 3.960 0.000 0.000 0.251 477 G C 0.416 175.318 174.900 0.004 0.000 2.912 477 G CA 0.371 45.474 45.100 0.004 0.000 0.606 477 G HN 0.937 nan 8.290 nan 0.000 0.282 478 G N 1.253 110.052 108.800 -0.001 0.000 2.349 478 G HA2 -0.273 3.688 3.960 0.000 0.000 0.223 478 G HA3 -0.273 3.688 3.960 0.000 0.000 0.223 478 G C -0.068 174.834 174.900 0.002 0.000 0.736 478 G CA -0.108 44.984 45.100 -0.013 0.000 1.073 478 G HN 0.639 nan 8.290 nan 0.000 0.308 479 N N 1.564 120.273 118.700 0.015 0.000 2.458 479 N HA 0.167 4.907 4.740 0.000 0.000 0.270 479 N C 1.227 176.740 175.510 0.005 0.000 1.102 479 N CA -0.381 52.700 53.050 0.051 0.000 0.967 479 N CB 1.190 39.732 38.487 0.092 0.000 1.078 479 N HN 0.375 nan 8.380 nan 0.000 0.471 480 K N 1.534 121.942 120.400 0.013 0.000 2.365 480 K HA 0.143 4.463 4.320 0.000 0.000 0.197 480 K C 0.023 176.353 176.600 -0.450 0.000 1.042 480 K CA 0.654 56.830 56.287 -0.185 0.000 0.987 480 K CB 0.204 32.615 32.500 -0.148 0.000 0.779 480 K HN 0.386 nan 8.250 nan 0.000 0.484 481 F N -1.068 118.890 119.950 0.013 0.000 2.640 481 F HA 0.449 4.976 4.527 0.000 0.000 0.324 481 F C -0.499 175.304 175.800 0.004 0.000 1.077 481 F CA -1.253 56.741 58.000 -0.011 0.000 0.965 481 F CB 1.905 40.838 39.000 -0.110 0.000 1.351 481 F HN -0.417 nan 8.300 nan 0.000 0.487 482 V N 2.352 122.377 119.914 0.185 0.000 2.655 482 V HA 0.474 4.594 4.120 0.000 0.000 0.301 482 V C -1.530 174.573 176.094 0.016 0.000 1.082 482 V CA -0.737 61.656 62.300 0.155 0.000 0.899 482 V CB 1.019 32.945 31.823 0.172 0.000 1.014 482 V HN 0.531 nan 8.190 nan 0.000 0.429 483 F N 7.041 127.062 119.950 0.118 0.000 2.495 483 F HA 0.372 4.900 4.527 0.000 0.000 0.365 483 F C 1.164 176.939 175.800 -0.042 0.000 1.090 483 F CA 0.125 58.142 58.000 0.029 0.000 1.235 483 F CB 0.584 39.700 39.000 0.193 0.000 1.119 483 F HN 0.779 nan 8.300 nan 0.000 0.562 484 N N 0.824 119.464 118.700 -0.100 0.000 2.322 484 N HA -0.020 4.720 4.740 0.000 0.000 0.270 484 N C 0.978 176.625 175.510 0.227 0.000 1.286 484 N CA 0.016 53.038 53.050 -0.048 0.000 0.948 484 N CB 0.210 38.539 38.487 -0.263 0.000 1.164 484 N HN 0.575 nan 8.380 nan 0.000 0.551 485 T N -1.259 113.541 114.554 0.409 0.000 2.977 485 T HA -0.147 4.203 4.350 0.000 0.000 0.271 485 T C 0.664 175.416 174.700 0.086 0.000 1.105 485 T CA 1.223 63.468 62.100 0.241 0.000 1.116 485 T CB -0.261 68.677 68.868 0.117 0.000 0.878 485 T HN 0.636 nan 8.240 nan 0.000 0.509 486 E N -0.127 120.072 120.200 -0.002 0.000 2.499 486 E HA 0.564 4.914 4.350 0.000 0.000 0.207 486 E C 0.741 177.108 176.600 -0.388 0.000 1.034 486 E CA 0.417 56.713 56.400 -0.173 0.000 1.098 486 E CB -0.474 29.092 29.700 -0.222 0.000 1.148 486 E HN 0.309 nan 8.360 nan 0.000 0.447 487 A N 0.796 123.556 122.820 -0.100 0.000 2.816 487 A HA -0.218 4.102 4.320 0.000 0.000 0.270 487 A C -0.483 177.088 177.584 -0.022 0.000 1.413 487 A CA 1.095 53.103 52.037 -0.047 0.000 0.866 487 A CB -2.282 16.448 19.000 -0.451 0.000 1.032 487 A HN 0.493 nan 8.150 nan 0.000 0.642 488 H N -0.575 118.476 119.070 -0.032 0.000 2.761 488 H HA 0.398 4.954 4.556 0.000 0.000 0.284 488 H C -2.785 172.244 175.328 -0.497 0.000 1.105 488 H CA -2.084 53.840 56.048 -0.207 0.000 1.352 488 H CB 0.412 30.062 29.762 -0.186 0.000 1.423 488 H HN 0.253 nan 8.280 nan 0.000 0.464 489 P HA 0.077 nan 4.420 nan 0.000 0.271 489 P C -0.410 176.909 177.300 0.032 0.000 1.233 489 P CA 0.516 63.348 63.100 -0.446 0.000 0.764 489 P CB 0.122 31.419 31.700 -0.673 0.000 0.825 490 F N 0.775 120.820 119.950 0.159 0.000 2.480 490 F HA 0.323 4.850 4.527 0.000 0.000 0.329 490 F C 1.053 177.001 175.800 0.246 0.000 1.091 490 F CA -1.113 57.010 58.000 0.205 0.000 0.972 490 F CB 1.552 40.596 39.000 0.073 0.000 1.150 490 F HN 0.196 nan 8.300 nan 0.000 0.467 491 S N 3.545 119.413 115.700 0.279 0.000 2.528 491 S HA 0.347 4.817 4.470 0.000 0.000 0.277 491 S C -0.181 174.382 174.600 -0.061 0.000 1.297 491 S CA -1.025 56.977 58.200 -0.329 0.000 1.052 491 S CB 0.481 63.472 63.200 -0.348 0.000 0.917 491 S HN 0.337 nan 8.310 nan 0.000 0.492 492 I N 2.092 122.535 120.570 -0.211 0.000 2.948 492 I HA 0.064 4.234 4.170 0.000 0.000 0.290 492 I C 1.304 177.191 176.117 -0.383 0.000 1.226 492 I CA 0.260 61.431 61.300 -0.216 0.000 1.413 492 I CB -0.172 37.688 38.000 -0.233 0.000 1.352 492 I HN 0.849 nan 8.210 nan 0.000 0.597 493 R N 3.145 123.142 120.500 -0.839 0.000 2.623 493 R HA 0.100 4.440 4.340 0.000 0.000 0.271 493 R C -0.050 176.059 176.300 -0.319 0.000 1.043 493 R CA 0.281 56.016 56.100 -0.608 0.000 1.083 493 R CB 0.538 30.367 30.300 -0.785 0.000 0.974 493 R HN 0.734 nan 8.270 nan 0.000 0.436 494 S N 0.000 115.583 115.700 -0.196 0.000 2.498 494 S HA 0.000 4.470 4.470 0.000 0.000 0.327 494 S CA 0.000 58.116 58.200 -0.140 0.000 1.107 494 S CB 0.000 63.139 63.200 -0.102 0.000 0.593 494 S HN 0.000 nan 8.310 nan 0.000 0.517