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_C 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 PFSIR 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 3.959 3.960 -0.001 0.000 0.244 9 G C 0.000 175.014 174.900 0.189 0.000 0.946 9 G CA 0.000 45.223 45.100 0.205 0.000 0.502 10 S N 0.836 116.648 115.700 0.186 0.000 2.638 10 S HA 0.881 5.351 4.470 -0.001 0.000 0.274 10 S C -3.257 171.407 174.600 0.107 0.000 1.157 10 S CA -1.372 56.906 58.200 0.130 0.000 0.826 10 S CB 1.990 65.228 63.200 0.063 0.000 1.139 10 S HN 0.482 nan 8.310 nan 0.000 0.474 11 P HA 0.287 nan 4.420 nan 0.000 0.268 11 P C -1.052 176.255 177.300 0.012 0.000 1.208 11 P CA -0.053 63.073 63.100 0.044 0.000 0.777 11 P CB 0.135 31.851 31.700 0.026 0.000 0.875 12 N N 2.167 120.872 118.700 0.008 0.000 2.626 12 N HA 0.181 4.920 4.740 -0.001 0.000 0.249 12 N C -1.596 173.844 175.510 -0.117 0.000 1.021 12 N CA -1.986 51.013 53.050 -0.085 0.000 0.886 12 N CB 1.111 39.496 38.487 -0.171 0.000 1.149 12 N HN 0.214 nan 8.380 nan 0.000 0.517 13 P HA -0.167 nan 4.420 nan 0.000 0.216 13 P C 1.020 178.266 177.300 -0.091 0.000 1.150 13 P CA 1.443 64.507 63.100 -0.060 0.000 0.837 13 P CB 0.293 31.972 31.700 -0.035 0.000 0.786 14 T N 0.346 114.804 114.554 -0.161 0.000 2.674 14 T HA -0.099 4.251 4.350 -0.001 0.000 0.265 14 T C 2.054 176.588 174.700 -0.276 0.000 1.039 14 T CA 1.338 63.327 62.100 -0.186 0.000 1.150 14 T CB -0.460 68.271 68.868 -0.228 0.000 0.864 14 T HN 0.210 nan 8.240 nan 0.000 0.427 15 R N 0.913 121.069 120.500 -0.572 0.000 2.092 15 R HA 0.096 4.435 4.340 -0.001 0.000 0.231 15 R C 2.830 178.949 176.300 -0.302 0.000 1.119 15 R CA 1.116 56.672 56.100 -0.906 0.000 0.970 15 R CB -0.450 28.669 30.300 -1.969 0.000 0.864 15 R HN 0.356 nan 8.270 nan 0.000 0.440 16 A N 1.409 124.149 122.820 -0.134 0.000 1.877 16 A HA -0.126 4.194 4.320 -0.001 0.000 0.216 16 A C 2.387 180.114 177.584 0.238 0.000 1.186 16 A CA 1.722 53.831 52.037 0.121 0.000 0.620 16 A CB -0.705 18.302 19.000 0.012 0.000 0.822 16 A HN 0.386 nan 8.150 nan 0.000 0.443 17 A N -0.259 122.641 122.820 0.133 0.000 1.972 17 A HA 0.164 4.483 4.320 -0.001 0.000 0.219 17 A C 2.465 180.156 177.584 0.178 0.000 1.169 17 A CA 2.036 54.163 52.037 0.151 0.000 0.635 17 A CB -0.919 18.134 19.000 0.089 0.000 0.810 17 A HN 1.041 nan 8.150 nan 0.000 0.446 18 A N -0.458 122.473 122.820 0.186 0.000 1.877 18 A HA -0.017 4.303 4.320 -0.001 0.000 0.216 18 A C 2.188 179.936 177.584 0.274 0.000 1.186 18 A CA 1.815 54.007 52.037 0.258 0.000 0.620 18 A CB -0.936 18.309 19.000 0.409 0.000 0.822 18 A HN 0.436 nan 8.150 nan 0.000 0.443 19 V N 0.297 120.402 119.914 0.318 0.000 2.490 19 V HA -0.214 3.905 4.120 -0.001 0.000 0.250 19 V C 2.505 178.730 176.094 0.218 0.000 1.061 19 V CA 1.996 64.469 62.300 0.289 0.000 1.064 19 V CB -0.621 31.445 31.823 0.405 0.000 0.670 19 V HN 0.411 nan 8.190 nan 0.000 0.461 20 K N 0.439 120.972 120.400 0.223 0.000 2.057 20 K HA -0.092 4.228 4.320 -0.001 0.000 0.207 20 K C 2.294 179.008 176.600 0.190 0.000 1.049 20 K CA 1.589 57.946 56.287 0.116 0.000 0.931 20 K CB -0.535 32.032 32.500 0.112 0.000 0.714 20 K HN 0.482 nan 8.250 nan 0.000 0.440 21 A N 1.017 123.961 122.820 0.206 0.000 1.930 21 A HA -0.058 4.261 4.320 -0.001 0.000 0.217 21 A C 2.332 180.081 177.584 0.274 0.000 1.175 21 A CA 1.842 54.013 52.037 0.224 0.000 0.627 21 A CB -0.439 18.684 19.000 0.204 0.000 0.815 21 A HN 0.311 nan 8.150 nan 0.000 0.443 22 A N -1.300 121.681 122.820 0.268 0.000 1.930 22 A HA -0.022 4.297 4.320 -0.001 0.000 0.217 22 A C 2.026 179.771 177.584 0.268 0.000 1.175 22 A CA 1.503 53.713 52.037 0.288 0.000 0.627 22 A CB -0.658 18.407 19.000 0.108 0.000 0.815 22 A HN 0.622 nan 8.150 nan 0.000 0.443 23 F N 0.358 120.343 119.950 0.058 0.000 2.146 23 F HA -0.147 4.380 4.527 -0.001 0.000 0.298 23 F C 2.438 178.388 175.800 0.251 0.000 1.096 23 F CA 2.106 60.143 58.000 0.061 0.000 1.275 23 F CB -0.210 38.763 39.000 -0.045 0.000 1.008 23 F HN 0.300 nan 8.300 nan 0.000 0.480 24 Q N 0.318 120.376 119.800 0.431 0.000 2.020 24 Q HA -0.160 4.180 4.340 -0.001 0.000 0.202 24 Q C 2.106 178.317 176.000 0.353 0.000 0.982 24 Q CA 2.921 58.954 55.803 0.383 0.000 0.838 24 Q CB -0.987 27.924 28.738 0.289 0.000 0.899 24 Q HN 0.388 nan 8.270 nan 0.000 0.423 25 T N -0.037 114.711 114.554 0.323 0.000 2.652 25 T HA -0.159 4.190 4.350 -0.001 0.000 0.267 25 T C 2.002 176.905 174.700 0.338 0.000 1.039 25 T CA 1.603 63.888 62.100 0.309 0.000 1.153 25 T CB -0.568 68.500 68.868 0.332 0.000 0.863 25 T HN 0.284 nan 8.240 nan 0.000 0.428 26 S N 0.285 116.211 115.700 0.377 0.000 2.365 26 S HA -0.135 4.335 4.470 -0.001 0.000 0.225 26 S C 1.608 176.501 174.600 0.488 0.000 1.039 26 S CA 1.165 59.584 58.200 0.365 0.000 1.033 26 S CB -0.500 62.755 63.200 0.092 0.000 0.887 26 S HN 0.648 nan 8.310 nan 0.000 0.447 27 W N 2.713 124.182 121.300 0.282 0.000 2.358 27 W HA -0.117 4.543 4.660 -0.001 0.000 0.303 27 W C 1.591 178.278 176.519 0.280 0.000 1.208 27 W CA 1.349 58.857 57.345 0.272 0.000 1.274 27 W CB -0.784 28.709 29.460 0.054 0.000 1.138 27 W HN 0.397 nan 8.180 nan 0.000 0.515 28 N N 0.510 119.347 118.700 0.227 0.000 2.149 28 N HA -0.176 4.563 4.740 -0.001 0.000 0.188 28 N C 2.063 177.613 175.510 0.067 0.000 1.019 28 N CA 1.560 54.685 53.050 0.124 0.000 0.857 28 N CB -0.478 38.128 38.487 0.198 0.000 0.997 28 N HN 0.088 nan 8.380 nan 0.000 0.426 29 A N 0.937 123.871 122.820 0.190 0.000 1.845 29 A HA -0.215 4.104 4.320 -0.001 0.000 0.215 29 A C 2.021 179.790 177.584 0.308 0.000 1.195 29 A CA 1.228 53.453 52.037 0.313 0.000 0.616 29 A CB -1.191 18.007 19.000 0.330 0.000 0.832 29 A HN 0.514 nan 8.150 nan 0.000 0.443 30 Y N -0.473 119.893 120.300 0.111 0.000 2.128 30 Y HA -0.314 4.235 4.550 -0.001 0.000 0.284 30 Y C 2.472 178.274 175.900 -0.163 0.000 1.154 30 Y CA 2.420 60.528 58.100 0.013 0.000 1.149 30 Y CB -0.515 37.912 38.460 -0.054 0.000 0.976 30 Y HN 0.591 nan 8.280 nan 0.000 0.505 31 H N -1.690 116.884 119.070 -0.828 0.000 2.353 31 H HA -0.222 4.334 4.556 -0.001 0.000 0.300 31 H C 2.113 177.134 175.328 -0.511 0.000 1.090 31 H CA 1.503 56.981 56.048 -0.950 0.000 1.327 31 H CB -0.267 28.836 29.762 -1.099 0.000 1.383 31 H HN 0.463 nan 8.280 nan 0.000 0.508 32 H N -0.538 118.208 119.070 -0.540 0.000 2.470 32 H HA -0.068 4.487 4.556 -0.001 0.000 0.289 32 H C 1.066 175.940 175.328 -0.756 0.000 1.033 32 H CA 1.322 56.947 56.048 -0.706 0.000 1.331 32 H CB 0.074 29.354 29.762 -0.803 0.000 1.414 32 H HN 0.371 nan 8.280 nan 0.000 0.545 33 F N -1.533 118.433 119.950 0.026 0.000 2.680 33 F HA 0.312 4.839 4.527 -0.001 0.000 0.290 33 F C 2.336 178.141 175.800 0.010 0.000 1.114 33 F CA 0.466 58.505 58.000 0.063 0.000 1.333 33 F CB 0.425 39.495 39.000 0.116 0.000 1.091 33 F HN 0.163 nan 8.300 nan 0.000 0.606 34 A N -0.287 122.544 122.820 0.019 0.000 1.988 34 A HA 0.172 4.492 4.320 -0.001 0.000 0.201 34 A C 0.376 177.728 177.584 -0.386 0.000 1.410 34 A CA -0.309 51.657 52.037 -0.118 0.000 0.832 34 A CB -0.905 18.187 19.000 0.154 0.000 0.981 34 A HN 0.133 nan 8.150 nan 0.000 0.492 35 F N 2.924 122.298 119.950 -0.960 0.000 2.623 35 F HA 0.094 4.620 4.527 -0.001 0.000 0.381 35 F C -1.217 174.272 175.800 -0.519 0.000 1.081 35 F CA -0.569 56.913 58.000 -0.863 0.000 1.293 35 F CB 0.845 39.306 39.000 -0.897 0.000 1.006 35 F HN 0.110 nan 8.300 nan 0.000 0.578 36 P HA -0.017 nan 4.420 nan 0.000 0.256 36 P C -0.307 176.575 177.300 -0.696 0.000 1.384 36 P CA 0.311 62.483 63.100 -1.547 0.000 0.879 36 P CB -0.183 30.541 31.700 -1.627 0.000 1.403 37 H N 0.802 119.585 119.070 -0.478 0.000 2.745 37 H HA 0.023 4.579 4.556 -0.001 0.000 0.373 37 H C 1.072 176.431 175.328 0.051 0.000 1.226 37 H CA 0.244 56.118 56.048 -0.291 0.000 1.435 37 H CB 0.914 30.281 29.762 -0.657 0.000 1.461 37 H HN 0.008 nan 8.280 nan 0.000 0.616 38 D N 0.666 121.206 120.400 0.233 0.000 2.088 38 D HA -0.097 4.543 4.640 -0.001 0.000 0.191 38 D C 0.122 176.583 176.300 0.267 0.000 0.992 38 D CA 1.574 55.727 54.000 0.254 0.000 0.831 38 D CB 0.234 41.160 40.800 0.210 0.000 0.973 38 D HN 0.560 nan 8.370 nan 0.000 0.447 39 D N -0.496 120.075 120.400 0.286 0.000 2.477 39 D HA 0.400 5.040 4.640 -0.001 0.000 0.234 39 D C -0.666 175.857 176.300 0.372 0.000 1.048 39 D CA -0.666 53.505 54.000 0.285 0.000 0.959 39 D CB 2.631 43.561 40.800 0.216 0.000 1.408 39 D HN -0.084 nan 8.370 nan 0.000 0.496 40 L N 0.064 121.532 121.223 0.407 0.000 2.334 40 L HA 0.338 4.677 4.340 -0.001 0.000 0.273 40 L C -0.959 176.156 176.870 0.407 0.000 1.013 40 L CA -0.323 54.752 54.840 0.391 0.000 0.816 40 L CB 1.452 43.786 42.059 0.457 0.000 1.278 40 L HN 0.359 nan 8.230 nan 0.000 0.431 41 H N 5.622 124.748 119.070 0.094 0.000 2.683 41 H HA 0.265 4.820 4.556 -0.001 0.000 0.270 41 H C -1.810 173.491 175.328 -0.045 0.000 1.201 41 H CA -1.819 54.227 56.048 -0.003 0.000 1.277 41 H CB 0.969 30.703 29.762 -0.047 0.000 1.400 41 H HN 0.573 nan 8.280 nan 0.000 0.504 42 P HA -0.188 nan 4.420 nan 0.000 0.218 42 P C 1.317 178.556 177.300 -0.102 0.000 1.146 42 P CA 0.940 64.024 63.100 -0.027 0.000 0.813 42 P CB 0.511 32.199 31.700 -0.021 0.000 0.778 43 V N 0.868 120.732 119.914 -0.083 0.000 2.446 43 V HA -0.098 4.021 4.120 -0.001 0.000 0.244 43 V C 2.597 178.621 176.094 -0.117 0.000 1.039 43 V CA 2.305 64.544 62.300 -0.102 0.000 1.045 43 V CB -1.316 30.455 31.823 -0.086 0.000 0.681 43 V HN 0.297 nan 8.190 nan 0.000 0.459 44 S N -1.392 114.251 115.700 -0.096 0.000 2.556 44 S HA 0.102 4.571 4.470 -0.001 0.000 0.216 44 S C 0.745 175.241 174.600 -0.173 0.000 0.970 44 S CA 0.299 58.432 58.200 -0.111 0.000 0.912 44 S CB -0.726 62.434 63.200 -0.066 0.000 0.790 44 S HN 0.653 nan 8.310 nan 0.000 0.504 45 N N 1.557 120.120 118.700 -0.229 0.000 2.708 45 N HA -0.192 4.547 4.740 -0.001 0.000 0.249 45 N C 0.116 175.524 175.510 -0.169 0.000 1.097 45 N CA 0.480 53.298 53.050 -0.386 0.000 0.710 45 N CB -1.132 36.844 38.487 -0.851 0.000 1.032 45 N HN 0.790 nan 8.380 nan 0.000 0.551 46 S N -0.382 115.241 115.700 -0.130 0.000 2.690 46 S HA 0.852 5.322 4.470 -0.001 0.000 0.285 46 S C -0.165 174.252 174.600 -0.305 0.000 1.135 46 S CA -0.601 57.427 58.200 -0.286 0.000 1.020 46 S CB 1.365 64.356 63.200 -0.348 0.000 1.159 46 S HN 0.327 nan 8.310 nan 0.000 0.534 47 F N -1.481 118.172 119.950 -0.496 0.000 2.923 47 F HA 0.883 5.409 4.527 -0.001 0.000 0.323 47 F C -1.608 173.826 175.800 -0.609 0.000 1.189 47 F CA -1.028 56.644 58.000 -0.547 0.000 0.930 47 F CB 0.369 39.217 39.000 -0.254 0.000 1.414 47 F HN 0.789 nan 8.300 nan 0.000 0.496 48 D N -2.452 118.010 120.400 0.104 0.000 2.615 48 D HA 0.367 5.007 4.640 -0.001 0.000 0.267 48 D C -1.932 174.517 176.300 0.248 0.000 1.236 48 D CA -0.608 53.475 54.000 0.137 0.000 0.839 48 D CB 1.977 42.861 40.800 0.140 0.000 1.380 48 D HN 0.487 nan 8.370 nan 0.000 0.433 49 D N -0.087 120.424 120.400 0.185 0.000 2.861 49 D HA 0.086 4.725 4.640 -0.001 0.000 0.357 49 D C 0.114 176.461 176.300 0.078 0.000 1.250 49 D CA 0.006 54.093 54.000 0.143 0.000 0.802 49 D CB 0.795 41.672 40.800 0.128 0.000 1.141 49 D HN 0.687 nan 8.370 nan 0.000 0.489 50 E N -0.511 119.748 120.200 0.097 0.000 2.511 50 E HA -0.053 4.296 4.350 -0.001 0.000 0.196 50 E C 1.090 177.735 176.600 0.075 0.000 1.066 50 E CA 0.249 56.693 56.400 0.073 0.000 0.871 50 E CB 0.304 30.055 29.700 0.085 0.000 0.863 50 E HN -0.169 nan 8.360 nan 0.000 0.520 51 R N 1.053 121.614 120.500 0.102 0.000 2.700 51 R HA 0.190 4.529 4.340 -0.001 0.000 0.377 51 R C -0.512 175.843 176.300 0.092 0.000 1.130 51 R CA -0.268 55.945 56.100 0.188 0.000 1.055 51 R CB -0.626 29.841 30.300 0.279 0.000 1.387 51 R HN 0.148 nan 8.270 nan 0.000 0.580 52 N N -0.414 118.186 118.700 -0.167 0.000 2.800 52 N HA -0.183 4.557 4.740 -0.001 0.000 0.250 52 N C 0.341 175.422 175.510 -0.715 0.000 1.078 52 N CA 1.207 53.910 53.050 -0.578 0.000 0.804 52 N CB -1.191 36.587 38.487 -1.181 0.000 1.135 52 N HN 0.557 nan 8.380 nan 0.000 0.565 53 G N -0.986 107.643 108.800 -0.286 0.000 2.249 53 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.273 53 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.273 53 G C 0.494 175.290 174.900 -0.172 0.000 1.036 53 G CA 0.573 45.552 45.100 -0.202 0.000 0.824 53 G HN 0.507 nan 8.290 nan 0.000 0.504 54 W N -0.139 121.202 121.300 0.069 0.000 3.278 54 W HA 0.445 5.105 4.660 -0.001 0.000 0.308 54 W C 1.451 178.112 176.519 0.236 0.000 1.253 54 W CA 0.277 57.603 57.345 -0.032 0.000 1.759 54 W CB -0.184 29.070 29.460 -0.345 0.000 1.093 54 W HN 1.376 nan 8.180 nan 0.000 0.648 55 G N 1.446 110.525 108.800 0.466 0.000 2.452 55 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.275 55 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.275 55 G C 1.059 176.264 174.900 0.507 0.000 1.131 55 G CA 0.484 45.834 45.100 0.415 0.000 1.031 55 G HN 0.163 nan 8.290 nan 0.000 0.511 56 S N -0.501 115.457 115.700 0.430 0.000 2.365 56 S HA -0.167 4.303 4.470 -0.001 0.000 0.225 56 S C 2.412 177.026 174.600 0.024 0.000 1.039 56 S CA 2.213 60.487 58.200 0.122 0.000 1.033 56 S CB -0.420 62.764 63.200 -0.026 0.000 0.887 56 S HN 0.911 nan 8.310 nan 0.000 0.447 57 S N 2.315 117.957 115.700 -0.097 0.000 2.387 57 S HA -0.010 4.460 4.470 -0.001 0.000 0.230 57 S C 2.305 176.682 174.600 -0.371 0.000 1.035 57 S CA 1.179 59.110 58.200 -0.448 0.000 1.014 57 S CB -0.902 61.590 63.200 -1.179 0.000 0.836 57 S HN 0.808 nan 8.310 nan 0.000 0.466 58 A N 1.137 123.962 122.820 0.008 0.000 1.873 58 A HA 0.019 4.339 4.320 -0.001 0.000 0.215 58 A C 2.049 179.789 177.584 0.258 0.000 1.186 58 A CA 1.123 53.367 52.037 0.345 0.000 0.616 58 A CB -0.565 18.816 19.000 0.635 0.000 0.823 58 A HN 0.502 nan 8.150 nan 0.000 0.442 59 I N -0.732 120.002 120.570 0.274 0.000 2.500 59 I HA -0.140 4.029 4.170 -0.001 0.000 0.252 59 I C 1.807 177.992 176.117 0.113 0.000 1.142 59 I CA 1.191 62.626 61.300 0.225 0.000 1.451 59 I CB -0.263 37.943 38.000 0.344 0.000 1.093 59 I HN 0.203 nan 8.210 nan 0.000 0.430 60 D N 0.765 121.233 120.400 0.114 0.000 2.183 60 D HA -0.075 4.565 4.640 -0.001 0.000 0.203 60 D C 2.092 178.563 176.300 0.285 0.000 0.969 60 D CA 1.174 55.309 54.000 0.225 0.000 0.842 60 D CB -0.015 40.892 40.800 0.178 0.000 0.957 60 D HN 0.291 nan 8.370 nan 0.000 0.484 61 G N -0.184 108.725 108.800 0.180 0.000 2.939 61 G HA2 -0.059 3.900 3.960 -0.001 0.000 0.210 61 G HA3 -0.059 3.900 3.960 -0.001 0.000 0.210 61 G C 1.415 176.431 174.900 0.194 0.000 1.160 61 G CA -0.018 45.252 45.100 0.283 0.000 0.770 61 G HN 0.202 nan 8.290 nan 0.000 0.543 62 L N 2.421 123.698 121.223 0.090 0.000 1.978 62 L HA -0.170 4.169 4.340 -0.001 0.000 0.218 62 L C 2.470 179.306 176.870 -0.056 0.000 1.075 62 L CA 2.926 57.765 54.840 -0.001 0.000 0.767 62 L CB -0.564 41.510 42.059 0.025 0.000 0.890 62 L HN 0.379 nan 8.230 nan 0.000 0.434 63 D N -2.714 117.670 120.400 -0.026 0.000 2.178 63 D HA -0.169 4.471 4.640 -0.001 0.000 0.202 63 D C 1.805 177.983 176.300 -0.204 0.000 0.974 63 D CA 1.710 55.650 54.000 -0.101 0.000 0.841 63 D CB -1.035 39.757 40.800 -0.015 0.000 0.953 63 D HN 0.376 nan 8.370 nan 0.000 0.478 64 T N 0.268 114.729 114.554 -0.155 0.000 2.788 64 T HA -0.041 4.308 4.350 -0.001 0.000 0.268 64 T C 2.081 176.407 174.700 -0.624 0.000 1.044 64 T CA 1.830 63.721 62.100 -0.348 0.000 1.139 64 T CB -0.463 68.269 68.868 -0.227 0.000 0.867 64 T HN 0.415 nan 8.240 nan 0.000 0.454 65 A N 0.919 123.434 122.820 -0.509 0.000 1.930 65 A HA 0.027 4.347 4.320 -0.001 0.000 0.217 65 A C 2.259 179.600 177.584 -0.405 0.000 1.175 65 A CA 0.987 52.708 52.037 -0.526 0.000 0.627 65 A CB -0.675 18.153 19.000 -0.287 0.000 0.815 65 A HN 0.520 nan 8.150 nan 0.000 0.443 66 I N -0.298 120.059 120.570 -0.356 0.000 2.142 66 I HA -0.260 3.909 4.170 -0.001 0.000 0.240 66 I C 2.320 178.135 176.117 -0.504 0.000 1.078 66 I CA 1.219 62.301 61.300 -0.362 0.000 1.343 66 I CB -0.376 37.390 38.000 -0.389 0.000 1.046 66 I HN 0.280 nan 8.210 nan 0.000 0.405 67 L N -0.223 120.624 121.223 -0.628 0.000 2.131 67 L HA -0.219 4.121 4.340 -0.001 0.000 0.210 67 L C 2.477 179.205 176.870 -0.237 0.000 1.092 67 L CA 1.398 55.913 54.840 -0.542 0.000 0.759 67 L CB -0.409 41.419 42.059 -0.384 0.000 0.903 67 L HN 0.323 nan 8.230 nan 0.000 0.435 68 M N -0.978 118.341 119.600 -0.468 0.000 2.558 68 M HA 0.110 4.589 4.480 -0.001 0.000 0.255 68 M C 1.246 177.422 176.300 -0.207 0.000 1.113 68 M CA 0.872 55.847 55.300 -0.541 0.000 1.097 68 M CB 0.125 32.205 32.600 -0.866 0.000 1.426 68 M HN 0.395 nan 8.290 nan 0.000 0.488 69 G N 1.255 109.971 108.800 -0.140 0.000 2.165 69 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.226 69 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.226 69 G C -0.735 174.118 174.900 -0.079 0.000 1.035 69 G CA -0.355 44.722 45.100 -0.039 0.000 0.744 69 G HN 0.416 nan 8.290 nan 0.000 0.501 70 D N 0.763 121.072 120.400 -0.151 0.000 2.517 70 D HA 0.553 5.193 4.640 -0.001 0.000 0.220 70 D C 1.615 177.837 176.300 -0.130 0.000 1.158 70 D CA 0.532 54.448 54.000 -0.139 0.000 0.992 70 D CB 0.576 41.264 40.800 -0.188 0.000 1.058 70 D HN 0.443 nan 8.370 nan 0.000 0.516 71 A N 2.786 125.560 122.820 -0.077 0.000 1.892 71 A HA -0.250 4.070 4.320 -0.001 0.000 0.218 71 A C 1.892 179.429 177.584 -0.079 0.000 1.188 71 A CA 1.773 53.774 52.037 -0.061 0.000 0.631 71 A CB -0.169 18.814 19.000 -0.028 0.000 0.822 71 A HN 0.513 nan 8.150 nan 0.000 0.447 72 D N 0.175 120.530 120.400 -0.075 0.000 2.117 72 D HA -0.151 4.488 4.640 -0.001 0.000 0.198 72 D C 1.903 178.107 176.300 -0.160 0.000 0.982 72 D CA 1.452 55.407 54.000 -0.076 0.000 0.828 72 D CB -0.696 40.085 40.800 -0.032 0.000 0.967 72 D HN 0.530 nan 8.370 nan 0.000 0.464 73 I N 0.694 121.105 120.570 -0.265 0.000 2.226 73 I HA -0.233 3.937 4.170 -0.001 0.000 0.245 73 I C 2.657 178.496 176.117 -0.462 0.000 1.100 73 I CA 0.672 61.633 61.300 -0.564 0.000 1.374 73 I CB -0.103 37.438 38.000 -0.765 0.000 1.057 73 I HN -0.080 nan 8.210 nan 0.000 0.413 74 V N 1.070 120.814 119.914 -0.284 0.000 2.343 74 V HA -0.253 3.867 4.120 -0.001 0.000 0.247 74 V C 2.156 178.184 176.094 -0.110 0.000 1.051 74 V CA 1.821 64.009 62.300 -0.187 0.000 1.036 74 V CB -0.784 30.960 31.823 -0.131 0.000 0.654 74 V HN 0.460 nan 8.190 nan 0.000 0.451 75 N N 0.566 119.212 118.700 -0.089 0.000 2.188 75 N HA -0.138 4.602 4.740 -0.001 0.000 0.184 75 N C 2.096 177.596 175.510 -0.015 0.000 1.018 75 N CA 2.057 55.087 53.050 -0.035 0.000 0.858 75 N CB -0.464 38.010 38.487 -0.022 0.000 0.989 75 N HN 0.719 nan 8.380 nan 0.000 0.426 76 T N -0.507 114.010 114.554 -0.062 0.000 2.788 76 T HA -0.001 4.348 4.350 -0.001 0.000 0.268 76 T C 2.137 176.861 174.700 0.040 0.000 1.044 76 T CA 0.707 62.785 62.100 -0.038 0.000 1.139 76 T CB -0.445 68.331 68.868 -0.153 0.000 0.867 76 T HN 0.110 nan 8.240 nan 0.000 0.454 77 I N 0.791 121.366 120.570 0.008 0.000 2.286 77 I HA -0.016 4.153 4.170 -0.001 0.000 0.245 77 I C 2.591 178.842 176.117 0.222 0.000 1.104 77 I CA 1.018 62.419 61.300 0.168 0.000 1.397 77 I CB -0.388 37.653 38.000 0.068 0.000 1.072 77 I HN 0.188 nan 8.210 nan 0.000 0.417 78 L N 0.164 121.454 121.223 0.112 0.000 2.131 78 L HA -0.218 4.122 4.340 -0.001 0.000 0.210 78 L C 2.604 179.547 176.870 0.122 0.000 1.092 78 L CA 1.090 55.992 54.840 0.104 0.000 0.759 78 L CB -0.530 41.563 42.059 0.056 0.000 0.903 78 L HN 0.336 nan 8.230 nan 0.000 0.435 79 Q N -1.222 118.661 119.800 0.137 0.000 2.364 79 Q HA -0.204 4.136 4.340 -0.001 0.000 0.207 79 Q C 1.772 177.898 176.000 0.209 0.000 0.970 79 Q CA 1.381 57.269 55.803 0.142 0.000 0.888 79 Q CB -0.031 28.786 28.738 0.131 0.000 0.951 79 Q HN 0.620 nan 8.270 nan 0.000 0.469 80 Y N -0.122 120.269 120.300 0.151 0.000 2.441 80 Y HA -0.055 4.495 4.550 -0.001 0.000 0.288 80 Y C 2.037 178.004 175.900 0.112 0.000 1.118 80 Y CA 0.290 58.497 58.100 0.178 0.000 1.215 80 Y CB 0.122 38.805 38.460 0.372 0.000 1.118 80 Y HN -0.203 nan 8.280 nan 0.000 0.547 81 V N 2.217 122.142 119.914 0.019 0.000 2.277 81 V HA -0.318 3.801 4.120 -0.001 0.000 0.253 81 V C -0.494 175.494 176.094 -0.176 0.000 1.067 81 V CA 2.650 64.903 62.300 -0.078 0.000 1.047 81 V CB -1.990 29.876 31.823 0.071 0.000 0.649 81 V HN 0.345 nan 8.190 nan 0.000 0.447 82 P HA -0.140 nan 4.420 nan 0.000 0.222 82 P C 1.676 178.872 177.300 -0.173 0.000 1.147 82 P CA 1.200 64.238 63.100 -0.103 0.000 0.790 82 P CB -0.070 31.602 31.700 -0.046 0.000 0.780 83 Q N -0.797 118.845 119.800 -0.264 0.000 2.230 83 Q HA 0.004 4.344 4.340 -0.001 0.000 0.202 83 Q C 0.731 176.505 176.000 -0.377 0.000 0.963 83 Q CA 0.265 55.901 55.803 -0.278 0.000 0.866 83 Q CB -0.332 28.263 28.738 -0.239 0.000 0.931 83 Q HN 0.304 nan 8.270 nan 0.000 0.452 84 I N 2.317 122.535 120.570 -0.587 0.000 2.775 84 I HA -0.102 4.067 4.170 -0.001 0.000 0.290 84 I C 0.361 176.148 176.117 -0.549 0.000 1.203 84 I CA -0.020 60.885 61.300 -0.658 0.000 1.433 84 I CB 0.095 37.486 38.000 -1.015 0.000 1.354 84 I HN 0.034 nan 8.210 nan 0.000 0.579 85 N N 6.011 124.468 118.700 -0.404 0.000 2.816 85 N HA 0.229 4.968 4.740 -0.001 0.000 0.236 85 N C -0.017 175.395 175.510 -0.164 0.000 1.076 85 N CA -0.354 52.570 53.050 -0.210 0.000 0.902 85 N CB 0.231 38.684 38.487 -0.056 0.000 1.149 85 N HN 0.332 nan 8.380 nan 0.000 0.506 86 F N 0.226 120.063 119.950 -0.188 0.000 2.802 86 F HA 0.029 4.555 4.527 -0.001 0.000 0.300 86 F C 2.298 178.050 175.800 -0.081 0.000 1.168 86 F CA 0.557 58.354 58.000 -0.338 0.000 1.433 86 F CB -0.246 38.426 39.000 -0.547 0.000 1.115 86 F HN 0.454 nan 8.300 nan 0.000 0.582 87 T N -3.826 110.784 114.554 0.093 0.000 3.100 87 T HA 0.131 4.480 4.350 -0.001 0.000 0.253 87 T C 0.825 175.590 174.700 0.109 0.000 1.118 87 T CA 0.840 62.921 62.100 -0.032 0.000 1.058 87 T CB -0.455 68.388 68.868 -0.042 0.000 0.953 87 T HN 0.241 nan 8.240 nan 0.000 0.515 88 T N -0.829 113.941 114.554 0.359 0.000 2.626 88 T HA 0.629 4.979 4.350 -0.001 0.000 0.299 88 T C -1.071 173.941 174.700 0.520 0.000 1.181 88 T CA -0.276 62.081 62.100 0.428 0.000 1.053 88 T CB 1.606 70.606 68.868 0.220 0.000 1.566 88 T HN 0.388 nan 8.240 nan 0.000 0.486 89 T N -1.968 112.757 114.554 0.285 0.000 2.912 89 T HA 0.748 5.098 4.350 -0.001 0.000 0.299 89 T C 1.372 176.082 174.700 0.016 0.000 1.052 89 T CA -0.316 61.829 62.100 0.075 0.000 0.996 89 T CB 1.498 70.341 68.868 -0.042 0.000 1.070 89 T HN 1.109 nan 8.240 nan 0.000 0.465 90 A N 2.277 125.058 122.820 -0.065 0.000 1.873 90 A HA 0.152 4.472 4.320 -0.001 0.000 0.218 90 A C 1.175 178.748 177.584 -0.018 0.000 1.193 90 A CA 1.266 53.279 52.037 -0.040 0.000 0.629 90 A CB -0.850 18.109 19.000 -0.069 0.000 0.826 90 A HN 0.843 nan 8.150 nan 0.000 0.447 91 V N 0.778 120.670 119.914 -0.035 0.000 2.455 91 V HA 0.452 4.572 4.120 -0.001 0.000 0.273 91 V C 0.821 176.929 176.094 0.023 0.000 1.045 91 V CA -0.535 61.761 62.300 -0.008 0.000 0.976 91 V CB 0.208 32.020 31.823 -0.018 0.000 0.993 91 V HN 0.579 nan 8.190 nan 0.000 0.475 92 A N 4.270 127.110 122.820 0.033 0.000 2.498 92 A HA 0.257 4.577 4.320 -0.001 0.000 0.239 92 A C 0.989 178.609 177.584 0.061 0.000 1.068 92 A CA 0.345 52.411 52.037 0.049 0.000 0.766 92 A CB -0.738 18.280 19.000 0.030 0.000 1.003 92 A HN 1.143 nan 8.150 nan 0.000 0.497 93 N N -0.720 118.032 118.700 0.088 0.000 2.708 93 N HA -0.206 4.533 4.740 -0.001 0.000 0.249 93 N C 0.000 175.671 175.510 0.268 0.000 1.097 93 N CA 1.300 54.407 53.050 0.095 0.000 0.710 93 N CB -1.011 37.441 38.487 -0.058 0.000 1.032 93 N HN 0.884 nan 8.380 nan 0.000 0.551 94 Q N 0.612 120.556 119.800 0.240 0.000 2.286 94 Q HA 0.376 4.716 4.340 -0.001 0.000 0.257 94 Q C 0.636 176.723 176.000 0.146 0.000 0.941 94 Q CA -0.216 55.684 55.803 0.163 0.000 0.912 94 Q CB 0.729 29.471 28.738 0.007 0.000 1.192 94 Q HN 0.349 nan 8.270 nan 0.000 0.410 95 G N 1.960 110.784 108.800 0.040 0.000 2.441 95 G HA2 0.198 4.157 3.960 -0.001 0.000 0.243 95 G HA3 0.198 4.157 3.960 -0.001 0.000 0.243 95 G C -0.769 173.930 174.900 -0.335 0.000 1.281 95 G CA -0.316 44.564 45.100 -0.368 0.000 0.854 95 G HN 0.465 nan 8.290 nan 0.000 0.560 96 S N 0.556 115.980 115.700 -0.460 0.000 2.659 96 S HA 0.469 4.938 4.470 -0.001 0.000 0.312 96 S C 0.065 174.564 174.600 -0.168 0.000 1.114 96 S CA -0.574 57.465 58.200 -0.269 0.000 1.063 96 S CB 1.243 64.231 63.200 -0.352 0.000 0.996 96 S HN 0.776 nan 8.310 nan 0.000 0.478 97 S N 4.505 120.183 115.700 -0.036 0.000 2.455 97 S HA 0.215 4.685 4.470 -0.001 0.000 0.278 97 S C 1.441 176.097 174.600 0.094 0.000 1.216 97 S CA -0.721 57.500 58.200 0.034 0.000 1.055 97 S CB 0.173 63.433 63.200 0.100 0.000 0.939 97 S HN 0.644 nan 8.310 nan 0.000 0.494 98 V N 6.761 126.720 119.914 0.074 0.000 2.287 98 V HA -0.135 3.985 4.120 -0.001 0.000 0.248 98 V C 1.852 178.064 176.094 0.196 0.000 1.053 98 V CA 2.268 64.637 62.300 0.114 0.000 1.027 98 V CB -1.191 30.643 31.823 0.018 0.000 0.646 98 V HN 0.947 nan 8.190 nan 0.000 0.447 99 F N 1.534 121.515 119.950 0.052 0.000 2.046 99 F HA -0.171 4.355 4.527 -0.001 0.000 0.297 99 F C 2.549 178.416 175.800 0.112 0.000 1.123 99 F CA 2.090 60.130 58.000 0.066 0.000 1.199 99 F CB -0.429 38.581 39.000 0.017 0.000 0.972 99 F HN 0.112 nan 8.300 nan 0.000 0.474 100 E N -0.150 120.032 120.200 -0.030 0.000 2.110 100 E HA -0.161 4.189 4.350 -0.001 0.000 0.193 100 E C 2.244 178.846 176.600 0.004 0.000 0.988 100 E CA 1.817 58.149 56.400 -0.114 0.000 0.804 100 E CB -0.898 28.858 29.700 0.094 0.000 0.745 100 E HN 0.452 nan 8.360 nan 0.000 0.458 101 T N 1.119 115.766 114.554 0.155 0.000 2.857 101 T HA -0.111 4.238 4.350 -0.001 0.000 0.266 101 T C 1.761 176.601 174.700 0.234 0.000 1.048 101 T CA 1.308 63.605 62.100 0.329 0.000 1.139 101 T CB -0.235 68.852 68.868 0.365 0.000 0.874 101 T HN 0.161 nan 8.240 nan 0.000 0.455 102 N N 1.825 120.626 118.700 0.168 0.000 2.039 102 N HA -0.080 4.660 4.740 -0.001 0.000 0.193 102 N C 1.924 177.523 175.510 0.149 0.000 1.044 102 N CA 1.655 54.828 53.050 0.205 0.000 0.847 102 N CB -0.423 38.253 38.487 0.315 0.000 1.030 102 N HN 0.567 nan 8.380 nan 0.000 0.422 103 I N -2.321 118.260 120.570 0.017 0.000 2.361 103 I HA -0.123 4.046 4.170 -0.001 0.000 0.251 103 I C 2.045 178.249 176.117 0.145 0.000 1.133 103 I CA 1.064 62.396 61.300 0.053 0.000 1.413 103 I CB -0.235 37.657 38.000 -0.181 0.000 1.073 103 I HN 0.084 nan 8.210 nan 0.000 0.424 104 R N 0.102 120.631 120.500 0.047 0.000 2.048 104 R HA 0.074 4.414 4.340 -0.001 0.000 0.221 104 R C 2.289 178.566 176.300 -0.038 0.000 1.174 104 R CA 1.541 57.654 56.100 0.021 0.000 0.971 104 R CB -0.647 29.541 30.300 -0.186 0.000 0.863 104 R HN 0.311 nan 8.270 nan 0.000 0.439 105 Y N 0.534 120.888 120.300 0.090 0.000 2.130 105 Y HA -0.177 4.372 4.550 -0.001 0.000 0.287 105 Y C 2.287 178.111 175.900 -0.127 0.000 1.124 105 Y CA 0.675 58.771 58.100 -0.006 0.000 1.118 105 Y CB -0.283 38.146 38.460 -0.052 0.000 0.994 105 Y HN 0.012 nan 8.280 nan 0.000 0.497 106 L N 0.244 121.485 121.223 0.030 0.000 2.017 106 L HA -0.099 4.241 4.340 -0.001 0.000 0.208 106 L C 2.392 179.255 176.870 -0.012 0.000 1.073 106 L CA 2.245 57.021 54.840 -0.106 0.000 0.745 106 L CB -1.253 40.723 42.059 -0.138 0.000 0.894 106 L HN 0.242 nan 8.230 nan 0.000 0.432 107 G N -1.306 107.594 108.800 0.167 0.000 2.418 107 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.217 107 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.217 107 G C 1.518 176.474 174.900 0.095 0.000 1.158 107 G CA 0.624 45.980 45.100 0.426 0.000 0.771 107 G HN 0.600 nan 8.290 nan 0.000 0.545 108 G N 0.701 109.302 108.800 -0.331 0.000 2.421 108 G HA2 -0.119 3.841 3.960 -0.001 0.000 0.216 108 G HA3 -0.119 3.841 3.960 -0.001 0.000 0.216 108 G C 1.694 176.475 174.900 -0.198 0.000 1.171 108 G CA 0.872 45.568 45.100 -0.673 0.000 0.775 108 G HN 0.299 nan 8.290 nan 0.000 0.543 109 L N 0.435 121.607 121.223 -0.086 0.000 2.046 109 L HA 0.084 4.423 4.340 -0.001 0.000 0.208 109 L C 2.934 179.785 176.870 -0.031 0.000 1.077 109 L CA 1.070 55.881 54.840 -0.050 0.000 0.747 109 L CB -0.886 41.105 42.059 -0.112 0.000 0.896 109 L HN 0.195 nan 8.230 nan 0.000 0.432 110 L N -1.182 119.995 121.223 -0.076 0.000 2.056 110 L HA -0.181 4.159 4.340 -0.001 0.000 0.207 110 L C 2.650 179.577 176.870 0.095 0.000 1.078 110 L CA 1.327 56.095 54.840 -0.120 0.000 0.749 110 L CB -0.775 40.979 42.059 -0.510 0.000 0.901 110 L HN 0.402 nan 8.230 nan 0.000 0.433 111 S N 0.485 116.372 115.700 0.312 0.000 2.356 111 S HA -0.200 4.269 4.470 -0.001 0.000 0.223 111 S C 2.211 176.919 174.600 0.181 0.000 1.032 111 S CA 0.944 59.384 58.200 0.399 0.000 1.005 111 S CB -0.592 62.817 63.200 0.349 0.000 0.867 111 S HN 0.343 nan 8.310 nan 0.000 0.449 112 A N 0.707 123.583 122.820 0.095 0.000 1.902 112 A HA -0.031 4.289 4.320 -0.001 0.000 0.217 112 A C 2.074 179.710 177.584 0.087 0.000 1.181 112 A CA 1.607 53.673 52.037 0.048 0.000 0.623 112 A CB -1.277 17.742 19.000 0.031 0.000 0.818 112 A HN 0.660 nan 8.150 nan 0.000 0.443 113 Y N 1.160 121.462 120.300 0.003 0.000 2.089 113 Y HA -0.238 4.312 4.550 -0.001 0.000 0.282 113 Y C 2.023 177.947 175.900 0.039 0.000 1.139 113 Y CA 2.143 60.242 58.100 -0.001 0.000 1.123 113 Y CB -0.353 38.080 38.460 -0.045 0.000 0.980 113 Y HN 0.349 nan 8.280 nan 0.000 0.493 114 D N 0.144 120.595 120.400 0.085 0.000 2.133 114 D HA -0.208 4.431 4.640 -0.001 0.000 0.195 114 D C 2.334 178.702 176.300 0.112 0.000 0.997 114 D CA 1.761 55.808 54.000 0.077 0.000 0.840 114 D CB -0.433 40.519 40.800 0.254 0.000 0.947 114 D HN 0.411 nan 8.370 nan 0.000 0.452 115 L N 0.084 121.380 121.223 0.122 0.000 2.005 115 L HA -0.113 4.226 4.340 -0.001 0.000 0.207 115 L C 2.527 179.457 176.870 0.099 0.000 1.072 115 L CA 0.692 55.598 54.840 0.110 0.000 0.744 115 L CB -0.382 41.642 42.059 -0.059 0.000 0.895 115 L HN 0.017 nan 8.230 nan 0.000 0.433 116 L N -0.662 120.566 121.223 0.008 0.000 2.362 116 L HA -0.108 4.231 4.340 -0.001 0.000 0.219 116 L C 2.522 179.348 176.870 -0.075 0.000 1.134 116 L CA 0.500 55.334 54.840 -0.010 0.000 0.807 116 L CB -0.367 41.675 42.059 -0.029 0.000 0.927 116 L HN 0.247 nan 8.230 nan 0.000 0.447 117 R N -0.532 119.871 120.500 -0.163 0.000 2.237 117 R HA 0.188 4.527 4.340 -0.001 0.000 0.195 117 R C 1.293 177.546 176.300 -0.078 0.000 0.956 117 R CA 0.754 56.729 56.100 -0.208 0.000 1.029 117 R CB 0.048 30.073 30.300 -0.459 0.000 0.972 117 R HN 0.316 nan 8.270 nan 0.000 0.493 118 G N 1.426 110.233 108.800 0.012 0.000 3.374 118 G HA2 0.066 4.025 3.960 -0.001 0.000 0.200 118 G HA3 0.066 4.025 3.960 -0.001 0.000 0.200 118 G C -1.602 173.349 174.900 0.086 0.000 1.801 118 G CA -0.188 44.961 45.100 0.082 0.000 0.842 118 G HN 0.005 nan 8.290 nan 0.000 0.688 119 P HA 0.028 nan 4.420 nan 0.000 0.231 119 P C -0.132 177.024 177.300 -0.240 0.000 1.158 119 P CA 0.964 64.054 63.100 -0.017 0.000 0.763 119 P CB 0.010 31.732 31.700 0.037 0.000 0.805 120 F N -0.341 119.585 119.950 -0.041 0.000 2.791 120 F HA 0.126 4.652 4.527 -0.001 0.000 0.316 120 F C 2.038 177.808 175.800 -0.050 0.000 1.134 120 F CA -0.114 57.854 58.000 -0.054 0.000 1.222 120 F CB -0.201 38.754 39.000 -0.074 0.000 1.034 120 F HN -0.159 nan 8.300 nan 0.000 0.516 121 S N -0.504 115.230 115.700 0.057 0.000 2.392 121 S HA -0.299 4.171 4.470 -0.001 0.000 0.232 121 S C 2.357 176.967 174.600 0.017 0.000 1.041 121 S CA 1.708 59.920 58.200 0.020 0.000 1.026 121 S CB -1.011 62.181 63.200 -0.013 0.000 0.845 121 S HN 0.472 nan 8.310 nan 0.000 0.465 122 S N 2.438 118.141 115.700 0.004 0.000 2.402 122 S HA -0.082 4.388 4.470 -0.001 0.000 0.233 122 S C 1.643 176.255 174.600 0.019 0.000 1.030 122 S CA 1.333 59.533 58.200 0.000 0.000 1.003 122 S CB -0.861 62.325 63.200 -0.022 0.000 0.813 122 S HN 0.411 nan 8.310 nan 0.000 0.477 123 L N 1.284 122.536 121.223 0.048 0.000 2.465 123 L HA 0.365 4.705 4.340 -0.001 0.000 0.224 123 L C 1.151 178.029 176.870 0.013 0.000 1.145 123 L CA 0.965 55.827 54.840 0.035 0.000 0.834 123 L CB -0.798 41.292 42.059 0.052 0.000 0.944 123 L HN 0.536 nan 8.230 nan 0.000 0.451 124 A N -1.946 120.883 122.820 0.014 0.000 2.359 124 A HA 0.561 4.881 4.320 -0.001 0.000 0.303 124 A C 0.798 178.386 177.584 0.007 0.000 1.066 124 A CA 0.098 52.140 52.037 0.008 0.000 0.730 124 A CB 0.771 19.776 19.000 0.009 0.000 1.211 124 A HN 0.198 nan 8.150 nan 0.000 0.439 125 T N -0.502 114.056 114.554 0.007 0.000 2.988 125 T HA 0.069 4.419 4.350 -0.001 0.000 0.240 125 T C 0.809 175.515 174.700 0.009 0.000 1.014 125 T CA 0.334 62.437 62.100 0.006 0.000 1.155 125 T CB -0.471 68.400 68.868 0.006 0.000 0.872 125 T HN 0.485 nan 8.240 nan 0.000 0.440 126 N N 2.565 121.273 118.700 0.013 0.000 2.418 126 N HA -0.010 4.729 4.740 -0.001 0.000 0.277 126 N C 0.818 176.341 175.510 0.021 0.000 1.317 126 N CA 0.091 53.152 53.050 0.017 0.000 0.922 126 N CB 0.795 39.295 38.487 0.021 0.000 1.194 126 N HN 0.339 nan 8.380 nan 0.000 0.485 127 Q N 1.263 121.075 119.800 0.020 0.000 2.378 127 Q HA -0.058 4.282 4.340 -0.001 0.000 0.205 127 Q C 1.664 177.687 176.000 0.039 0.000 0.954 127 Q CA 0.969 56.788 55.803 0.027 0.000 0.901 127 Q CB -0.159 28.591 28.738 0.020 0.000 0.981 127 Q HN 0.775 nan 8.270 nan 0.000 0.483 128 T N -2.183 112.390 114.554 0.031 0.000 2.951 128 T HA 0.024 4.374 4.350 -0.001 0.000 0.268 128 T C 1.983 176.704 174.700 0.035 0.000 1.073 128 T CA 0.411 62.528 62.100 0.029 0.000 1.134 128 T CB -0.195 68.684 68.868 0.019 0.000 0.884 128 T HN 0.123 nan 8.240 nan 0.000 0.479 129 L N 0.661 121.907 121.223 0.037 0.000 2.072 129 L HA 0.029 4.368 4.340 -0.001 0.000 0.205 129 L C 2.920 179.828 176.870 0.063 0.000 1.079 129 L CA 0.649 55.514 54.840 0.043 0.000 0.752 129 L CB -0.585 41.499 42.059 0.042 0.000 0.906 129 L HN 0.156 nan 8.230 nan 0.000 0.436 130 V N 0.270 120.228 119.914 0.073 0.000 2.407 130 V HA -0.252 3.867 4.120 -0.001 0.000 0.248 130 V C 2.104 178.326 176.094 0.213 0.000 1.055 130 V CA 1.681 64.052 62.300 0.117 0.000 1.049 130 V CB -0.657 31.206 31.823 0.067 0.000 0.662 130 V HN 0.501 nan 8.190 nan 0.000 0.455 131 N N -0.170 118.623 118.700 0.155 0.000 2.396 131 N HA -0.073 4.667 4.740 -0.001 0.000 0.180 131 N C 2.019 177.541 175.510 0.019 0.000 1.028 131 N CA 1.211 54.342 53.050 0.135 0.000 0.893 131 N CB -0.171 38.365 38.487 0.082 0.000 0.967 131 N HN 0.353 nan 8.380 nan 0.000 0.440 132 S N 1.063 116.778 115.700 0.024 0.000 2.419 132 S HA 0.059 4.528 4.470 -0.001 0.000 0.233 132 S C 2.005 176.583 174.600 -0.036 0.000 1.016 132 S CA 0.393 58.586 58.200 -0.012 0.000 0.974 132 S CB -0.047 63.155 63.200 0.003 0.000 0.786 132 S HN 0.261 nan 8.310 nan 0.000 0.492 133 L N 0.485 121.705 121.223 -0.005 0.000 1.970 133 L HA -0.154 4.185 4.340 -0.001 0.000 0.212 133 L C 2.407 179.156 176.870 -0.202 0.000 1.071 133 L CA 1.154 55.975 54.840 -0.033 0.000 0.751 133 L CB -0.662 41.453 42.059 0.094 0.000 0.889 133 L HN 0.312 nan 8.230 nan 0.000 0.432 134 L N 0.303 121.286 121.223 -0.401 0.000 2.046 134 L HA -0.212 4.128 4.340 -0.001 0.000 0.208 134 L C 3.095 179.742 176.870 -0.372 0.000 1.077 134 L CA 2.434 56.925 54.840 -0.583 0.000 0.747 134 L CB -0.918 40.543 42.059 -0.996 0.000 0.896 134 L HN 0.172 nan 8.230 nan 0.000 0.432 135 R N -0.729 119.615 120.500 -0.259 0.000 2.083 135 R HA -0.181 4.158 4.340 -0.001 0.000 0.237 135 R C 2.076 178.266 176.300 -0.184 0.000 1.137 135 R CA 1.931 57.921 56.100 -0.183 0.000 0.951 135 R CB -1.625 28.607 30.300 -0.113 0.000 0.851 135 R HN 0.646 nan 8.270 nan 0.000 0.434 136 Q N -0.348 119.358 119.800 -0.156 0.000 2.119 136 Q HA 0.006 4.346 4.340 -0.001 0.000 0.201 136 Q C 2.558 178.338 176.000 -0.366 0.000 0.972 136 Q CA 1.590 57.314 55.803 -0.132 0.000 0.847 136 Q CB -0.449 28.311 28.738 0.038 0.000 0.903 136 Q HN 0.685 nan 8.270 nan 0.000 0.433 137 A N 1.137 123.717 122.820 -0.400 0.000 1.883 137 A HA -0.272 4.047 4.320 -0.001 0.000 0.217 137 A C 2.081 179.335 177.584 -0.550 0.000 1.186 137 A CA 1.886 53.618 52.037 -0.509 0.000 0.624 137 A CB -0.675 18.055 19.000 -0.450 0.000 0.822 137 A HN 0.440 nan 8.150 nan 0.000 0.444 138 Q N -0.920 118.598 119.800 -0.470 0.000 2.119 138 Q HA -0.143 4.197 4.340 -0.001 0.000 0.201 138 Q C 1.933 177.723 176.000 -0.349 0.000 0.972 138 Q CA 1.960 57.480 55.803 -0.471 0.000 0.847 138 Q CB -0.277 28.280 28.738 -0.302 0.000 0.903 138 Q HN 0.598 nan 8.270 nan 0.000 0.433 139 T N 1.570 115.957 114.554 -0.280 0.000 2.777 139 T HA -0.122 4.228 4.350 -0.001 0.000 0.266 139 T C 1.713 176.259 174.700 -0.257 0.000 1.040 139 T CA 0.991 62.968 62.100 -0.204 0.000 1.141 139 T CB -0.208 68.582 68.868 -0.129 0.000 0.868 139 T HN 0.290 nan 8.240 nan 0.000 0.444 140 L N 0.679 121.662 121.223 -0.400 0.000 2.017 140 L HA -0.117 4.223 4.340 -0.001 0.000 0.208 140 L C 2.832 179.553 176.870 -0.248 0.000 1.073 140 L CA 1.632 56.218 54.840 -0.423 0.000 0.745 140 L CB -0.667 40.897 42.059 -0.825 0.000 0.894 140 L HN 0.292 nan 8.230 nan 0.000 0.432 141 A N -0.050 122.532 122.820 -0.396 0.000 1.902 141 A HA -0.244 4.076 4.320 -0.001 0.000 0.217 141 A C 1.831 179.392 177.584 -0.038 0.000 1.181 141 A CA 1.850 53.637 52.037 -0.416 0.000 0.623 141 A CB -0.683 17.674 19.000 -1.072 0.000 0.818 141 A HN 0.542 nan 8.150 nan 0.000 0.443 142 N N 0.006 118.676 118.700 -0.049 0.000 2.348 142 N HA -0.108 4.632 4.740 -0.001 0.000 0.185 142 N C 1.593 177.123 175.510 0.033 0.000 1.019 142 N CA 1.332 54.428 53.050 0.076 0.000 0.880 142 N CB -0.386 38.110 38.487 0.016 0.000 0.965 142 N HN 0.546 nan 8.380 nan 0.000 0.437 143 G N -0.307 108.447 108.800 -0.077 0.000 2.559 143 G HA2 -0.017 3.943 3.960 -0.001 0.000 0.209 143 G HA3 -0.017 3.943 3.960 -0.001 0.000 0.209 143 G C 1.475 176.530 174.900 0.257 0.000 1.151 143 G CA -0.098 44.865 45.100 -0.228 0.000 0.824 143 G HN 0.085 nan 8.290 nan 0.000 0.543 144 L N 1.901 123.375 121.223 0.418 0.000 2.046 144 L HA -0.036 4.303 4.340 -0.001 0.000 0.208 144 L C 2.873 180.033 176.870 0.483 0.000 1.077 144 L CA 2.033 57.182 54.840 0.516 0.000 0.747 144 L CB -0.611 41.779 42.059 0.551 0.000 0.896 144 L HN 0.470 nan 8.230 nan 0.000 0.432 145 K N -1.181 119.615 120.400 0.659 0.000 2.293 145 K HA -0.208 4.111 4.320 -0.001 0.000 0.204 145 K C 1.907 178.743 176.600 0.393 0.000 1.045 145 K CA 1.560 58.257 56.287 0.683 0.000 0.933 145 K CB -1.185 31.717 32.500 0.670 0.000 0.736 145 K HN 0.203 nan 8.250 nan 0.000 0.463 146 V N 1.246 121.325 119.914 0.276 0.000 2.688 146 V HA -0.217 3.903 4.120 -0.001 0.000 0.256 146 V C 2.376 178.532 176.094 0.102 0.000 1.084 146 V CA 1.843 64.259 62.300 0.193 0.000 1.103 146 V CB -0.631 31.311 31.823 0.197 0.000 0.688 146 V HN 0.547 nan 8.190 nan 0.000 0.480 147 A N -0.665 122.144 122.820 -0.019 0.000 2.019 147 A HA -0.130 4.189 4.320 -0.001 0.000 0.219 147 A C 1.780 179.183 177.584 -0.301 0.000 1.164 147 A CA 1.841 53.742 52.037 -0.227 0.000 0.644 147 A CB -0.738 18.002 19.000 -0.435 0.000 0.805 147 A HN 0.643 nan 8.150 nan 0.000 0.449 148 F N 0.438 120.394 119.950 0.011 0.000 2.811 148 F HA 0.019 4.545 4.527 -0.001 0.000 0.301 148 F C 1.994 177.809 175.800 0.024 0.000 1.151 148 F CA 0.925 58.921 58.000 -0.006 0.000 1.412 148 F CB -0.164 38.817 39.000 -0.030 0.000 1.113 148 F HN 0.225 nan 8.300 nan 0.000 0.579 149 T N -2.013 112.639 114.554 0.164 0.000 3.509 149 T HA 0.029 4.379 4.350 -0.001 0.000 0.250 149 T C 0.767 175.515 174.700 0.081 0.000 1.076 149 T CA 0.023 62.197 62.100 0.123 0.000 0.966 149 T CB -1.503 67.431 68.868 0.109 0.000 1.046 149 T HN 0.185 nan 8.240 nan 0.000 0.591 150 T N -1.195 113.402 114.554 0.071 0.000 2.788 150 T HA 0.361 4.710 4.350 -0.001 0.000 0.280 150 T C -1.694 173.027 174.700 0.036 0.000 0.984 150 T CA -1.649 60.471 62.100 0.032 0.000 0.972 150 T CB 0.720 69.586 68.868 -0.003 0.000 1.039 150 T HN -0.125 nan 8.240 nan 0.000 0.530 151 P HA -0.002 nan 4.420 nan 0.000 0.222 151 P C 1.408 178.720 177.300 0.020 0.000 1.147 151 P CA 0.877 63.986 63.100 0.014 0.000 0.790 151 P CB 0.051 31.748 31.700 -0.004 0.000 0.780 152 S N -3.329 112.364 115.700 -0.011 0.000 2.520 152 S HA 0.387 4.857 4.470 -0.001 0.000 0.219 152 S C 1.670 176.337 174.600 0.112 0.000 1.028 152 S CA 0.532 58.723 58.200 -0.015 0.000 0.921 152 S CB -0.244 62.778 63.200 -0.297 0.000 0.844 152 S HN 0.232 nan 8.310 nan 0.000 0.495 153 G N 0.842 109.707 108.800 0.109 0.000 2.234 153 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.235 153 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.235 153 G C 0.081 175.129 174.900 0.245 0.000 0.997 153 G CA -0.109 45.115 45.100 0.206 0.000 0.623 153 G HN 0.720 nan 8.290 nan 0.000 0.514 154 V N 4.443 124.409 119.914 0.086 0.000 2.540 154 V HA 0.308 4.427 4.120 -0.001 0.000 0.297 154 V C -0.891 175.218 176.094 0.025 0.000 1.024 154 V CA -0.429 61.893 62.300 0.036 0.000 1.105 154 V CB 0.895 32.612 31.823 -0.176 0.000 0.938 154 V HN 0.351 nan 8.190 nan 0.000 0.482 155 P HA 0.002 nan 4.420 nan 0.000 0.265 155 P C -0.609 176.562 177.300 -0.214 0.000 1.193 155 P CA -0.101 62.821 63.100 -0.297 0.000 0.765 155 P CB 0.688 32.095 31.700 -0.488 0.000 0.823 156 D N 4.598 124.865 120.400 -0.222 0.000 2.312 156 D HA 0.081 4.720 4.640 -0.001 0.000 0.252 156 D C -1.070 175.147 176.300 -0.137 0.000 1.150 156 D CA -2.263 51.658 54.000 -0.131 0.000 0.870 156 D CB 1.016 41.766 40.800 -0.082 0.000 1.153 156 D HN 0.212 nan 8.370 nan 0.000 0.457 157 P HA -0.083 nan 4.420 nan 0.000 0.221 157 P C -0.065 177.192 177.300 -0.072 0.000 1.145 157 P CA 0.729 63.789 63.100 -0.068 0.000 0.795 157 P CB 0.342 32.015 31.700 -0.045 0.000 0.775 158 T N 0.395 114.888 114.554 -0.102 0.000 2.886 158 T HA 0.492 4.842 4.350 -0.001 0.000 0.292 158 T C -0.217 174.328 174.700 -0.258 0.000 1.012 158 T CA -0.574 61.409 62.100 -0.194 0.000 0.982 158 T CB 2.415 71.158 68.868 -0.207 0.000 1.018 158 T HN -0.093 nan 8.240 nan 0.000 0.451 159 V N -0.291 119.382 119.914 -0.401 0.000 3.156 159 V HA 0.959 5.079 4.120 -0.001 0.000 0.311 159 V C -1.739 173.951 176.094 -0.673 0.000 1.208 159 V CA -1.260 60.861 62.300 -0.298 0.000 1.063 159 V CB 1.766 33.587 31.823 -0.004 0.000 1.098 159 V HN 0.756 nan 8.190 nan 0.000 0.452 160 F N -0.746 119.252 119.950 0.080 0.000 2.599 160 F HA 0.697 5.224 4.527 -0.001 0.000 0.311 160 F C 0.336 176.364 175.800 0.380 0.000 1.076 160 F CA -0.663 57.386 58.000 0.081 0.000 0.937 160 F CB 2.111 41.163 39.000 0.086 0.000 1.282 160 F HN 0.435 nan 8.300 nan 0.000 0.460 161 F N -0.913 119.209 119.950 0.287 0.000 2.619 161 F HA 0.170 4.696 4.527 -0.001 0.000 0.281 161 F C 0.710 176.614 175.800 0.173 0.000 1.065 161 F CA -0.296 57.835 58.000 0.219 0.000 1.304 161 F CB 0.547 39.693 39.000 0.244 0.000 1.059 161 F HN 0.358 nan 8.300 nan 0.000 0.648 162 N N 1.580 120.497 118.700 0.362 0.000 2.424 162 N HA 0.233 4.973 4.740 -0.001 0.000 0.271 162 N C -2.340 173.267 175.510 0.161 0.000 0.985 162 N CA -2.309 50.869 53.050 0.214 0.000 0.921 162 N CB 1.852 40.440 38.487 0.168 0.000 1.149 162 N HN -0.165 nan 8.380 nan 0.000 0.492 163 P HA 0.049 nan 4.420 nan 0.000 0.221 163 P C -0.249 177.111 177.300 0.101 0.000 1.155 163 P CA 0.990 64.141 63.100 0.086 0.000 0.812 163 P CB 0.257 31.983 31.700 0.044 0.000 0.801 164 T N -4.380 110.246 114.554 0.120 0.000 2.901 164 T HA 0.500 4.849 4.350 -0.001 0.000 0.293 164 T C -0.522 174.300 174.700 0.202 0.000 1.084 164 T CA -0.924 61.251 62.100 0.124 0.000 1.008 164 T CB 1.237 70.154 68.868 0.081 0.000 1.170 164 T HN -0.339 nan 8.240 nan 0.000 0.509 165 V N 3.023 123.044 119.914 0.179 0.000 2.455 165 V HA 0.594 4.713 4.120 -0.001 0.000 0.273 165 V C 0.520 176.752 176.094 0.230 0.000 1.045 165 V CA -0.243 62.206 62.300 0.249 0.000 0.976 165 V CB -0.330 31.567 31.823 0.123 0.000 0.993 165 V HN 1.058 nan 8.190 nan 0.000 0.475 166 R N 4.263 124.947 120.500 0.308 0.000 2.733 166 R HA 0.695 5.034 4.340 -0.001 0.000 0.272 166 R C -1.106 175.385 176.300 0.318 0.000 1.029 166 R CA -1.241 55.014 56.100 0.257 0.000 0.888 166 R CB 1.853 32.273 30.300 0.200 0.000 1.251 166 R HN 0.619 nan 8.270 nan 0.000 0.464 167 R N -0.269 120.371 120.500 0.234 0.000 2.691 167 R HA 0.397 4.736 4.340 -0.001 0.000 0.259 167 R C 0.485 176.943 176.300 0.263 0.000 1.048 167 R CA -0.390 55.825 56.100 0.192 0.000 1.086 167 R CB 1.394 31.749 30.300 0.092 0.000 1.166 167 R HN 0.840 nan 8.270 nan 0.000 0.526 168 S N -0.236 115.600 115.700 0.227 0.000 2.406 168 S HA 0.046 4.515 4.470 -0.001 0.000 0.228 168 S C 1.483 176.165 174.600 0.136 0.000 1.020 168 S CA 0.536 58.903 58.200 0.278 0.000 0.965 168 S CB -0.393 62.919 63.200 0.188 0.000 0.798 168 S HN 1.170 nan 8.310 nan 0.000 0.488 169 G N 1.014 109.860 108.800 0.076 0.000 2.141 169 G HA2 -0.015 3.944 3.960 -0.001 0.000 0.231 169 G HA3 -0.015 3.944 3.960 -0.001 0.000 0.231 169 G C 0.253 175.160 174.900 0.013 0.000 0.984 169 G CA 0.024 45.147 45.100 0.038 0.000 0.660 169 G HN 1.299 nan 8.290 nan 0.000 0.525 170 A N 0.155 122.979 122.820 0.007 0.000 2.555 170 A HA 0.620 4.939 4.320 -0.001 0.000 0.233 170 A C 1.733 179.293 177.584 -0.039 0.000 1.060 170 A CA 1.512 53.539 52.037 -0.018 0.000 0.759 170 A CB 0.439 19.424 19.000 -0.025 0.000 0.995 170 A HN 1.474 nan 8.150 nan 0.000 0.506 171 S N 0.282 115.950 115.700 -0.053 0.000 2.428 171 S HA 0.078 4.547 4.470 -0.001 0.000 0.230 171 S C 0.856 175.406 174.600 -0.084 0.000 1.014 171 S CA 1.280 59.439 58.200 -0.067 0.000 0.957 171 S CB -0.518 62.637 63.200 -0.075 0.000 0.784 171 S HN 1.881 nan 8.310 nan 0.000 0.499 172 S N -0.315 115.334 115.700 -0.086 0.000 2.672 172 S HA 0.658 5.127 4.470 -0.001 0.000 0.271 172 S C -1.320 173.251 174.600 -0.048 0.000 1.171 172 S CA -0.948 57.202 58.200 -0.082 0.000 0.817 172 S CB 1.438 64.586 63.200 -0.087 0.000 1.150 172 S HN 0.285 nan 8.310 nan 0.000 0.478 173 N N 0.003 118.689 118.700 -0.024 0.000 2.610 173 N HA 0.500 5.239 4.740 -0.001 0.000 0.264 173 N C -1.903 173.611 175.510 0.007 0.000 1.348 173 N CA -0.565 52.478 53.050 -0.012 0.000 0.819 173 N CB 1.994 40.429 38.487 -0.086 0.000 1.521 173 N HN 0.972 nan 8.380 nan 0.000 0.497 174 N N -0.815 117.843 118.700 -0.069 0.000 2.492 174 N HA 0.263 5.002 4.740 -0.001 0.000 0.289 174 N C 0.885 176.204 175.510 -0.319 0.000 1.133 174 N CA -0.695 52.196 53.050 -0.264 0.000 0.961 174 N CB 1.085 39.344 38.487 -0.379 0.000 1.186 174 N HN 0.148 nan 8.380 nan 0.000 0.493 175 V N 0.540 120.220 119.914 -0.389 0.000 2.380 175 V HA -0.308 3.812 4.120 -0.001 0.000 0.251 175 V C 2.305 178.213 176.094 -0.310 0.000 1.063 175 V CA 2.465 64.522 62.300 -0.406 0.000 1.055 175 V CB -1.456 30.052 31.823 -0.524 0.000 0.657 175 V HN 0.910 nan 8.190 nan 0.000 0.455 176 A N -0.456 122.164 122.820 -0.333 0.000 1.897 176 A HA -0.183 4.137 4.320 -0.001 0.000 0.215 176 A C 2.170 179.493 177.584 -0.435 0.000 1.181 176 A CA 1.518 53.351 52.037 -0.340 0.000 0.620 176 A CB -0.405 18.334 19.000 -0.434 0.000 0.821 176 A HN 0.602 nan 8.150 nan 0.000 0.443 177 E N -0.495 119.381 120.200 -0.541 0.000 2.268 177 E HA -0.060 4.289 4.350 -0.001 0.000 0.195 177 E C 1.638 178.179 176.600 -0.098 0.000 0.995 177 E CA 0.809 56.957 56.400 -0.419 0.000 0.836 177 E CB -0.157 29.342 29.700 -0.335 0.000 0.763 177 E HN 0.716 nan 8.360 nan 0.000 0.491 178 I N -0.189 120.309 120.570 -0.121 0.000 2.494 178 I HA -0.020 4.149 4.170 -0.001 0.000 0.250 178 I C 2.179 178.330 176.117 0.056 0.000 1.112 178 I CA 0.685 61.962 61.300 -0.038 0.000 1.438 178 I CB 0.073 38.018 38.000 -0.092 0.000 1.111 178 I HN 0.033 nan 8.210 nan 0.000 0.431 179 G N -0.318 108.524 108.800 0.070 0.000 3.233 179 G HA2 0.018 3.977 3.960 -0.001 0.000 0.227 179 G HA3 0.018 3.977 3.960 -0.001 0.000 0.227 179 G C 0.735 175.688 174.900 0.089 0.000 1.175 179 G CA 0.014 45.256 45.100 0.237 0.000 0.781 179 G HN 0.248 nan 8.290 nan 0.000 0.542 180 S N 0.084 115.786 115.700 0.003 0.000 2.581 180 S HA 0.308 4.777 4.470 -0.001 0.000 0.245 180 S C 0.689 175.371 174.600 0.137 0.000 1.115 180 S CA -0.311 57.752 58.200 -0.229 0.000 1.093 180 S CB 0.507 63.676 63.200 -0.053 0.000 0.853 180 S HN 0.119 nan 8.310 nan 0.000 0.479 181 L N 0.607 121.986 121.223 0.260 0.000 2.730 181 L HA 0.184 4.524 4.340 -0.001 0.000 0.236 181 L C 2.227 179.338 176.870 0.401 0.000 1.061 181 L CA 0.623 55.660 54.840 0.329 0.000 0.898 181 L CB -0.857 41.275 42.059 0.122 0.000 1.270 181 L HN 0.316 nan 8.230 nan 0.000 0.500 182 V N -2.014 118.107 119.914 0.345 0.000 2.278 182 V HA -0.329 3.790 4.120 -0.001 0.000 0.251 182 V C 2.238 178.424 176.094 0.153 0.000 1.062 182 V CA 2.019 64.475 62.300 0.260 0.000 1.038 182 V CB -1.086 30.887 31.823 0.250 0.000 0.646 182 V HN 0.377 nan 8.190 nan 0.000 0.447 183 L N -0.229 121.089 121.223 0.158 0.000 1.989 183 L HA -0.209 4.130 4.340 -0.001 0.000 0.211 183 L C 2.937 179.832 176.870 0.042 0.000 1.071 183 L CA 2.500 57.283 54.840 -0.094 0.000 0.749 183 L CB -0.335 41.574 42.059 -0.250 0.000 0.890 183 L HN 0.377 nan 8.230 nan 0.000 0.431 184 E N -0.725 119.662 120.200 0.311 0.000 2.038 184 E HA -0.256 4.094 4.350 -0.001 0.000 0.195 184 E C 1.712 178.333 176.600 0.036 0.000 1.000 184 E CA 1.989 58.517 56.400 0.213 0.000 0.803 184 E CB -0.365 29.543 29.700 0.346 0.000 0.750 184 E HN 0.480 nan 8.360 nan 0.000 0.448 185 W N 0.601 121.911 121.300 0.018 0.000 2.388 185 W HA -0.056 4.603 4.660 -0.001 0.000 0.294 185 W C 2.400 178.927 176.519 0.014 0.000 1.212 185 W CA 1.397 58.757 57.345 0.026 0.000 1.271 185 W CB -0.923 28.611 29.460 0.122 0.000 1.126 185 W HN 0.024 nan 8.180 nan 0.000 0.535 186 T N -0.059 114.591 114.554 0.160 0.000 2.777 186 T HA -0.201 4.149 4.350 -0.001 0.000 0.266 186 T C 1.842 176.531 174.700 -0.018 0.000 1.040 186 T CA 1.660 63.803 62.100 0.072 0.000 1.141 186 T CB -0.229 68.609 68.868 -0.050 0.000 0.868 186 T HN -0.106 nan 8.240 nan 0.000 0.444 187 R N 1.046 121.423 120.500 -0.206 0.000 2.091 187 R HA -0.003 4.336 4.340 -0.001 0.000 0.238 187 R C 2.151 178.366 176.300 -0.143 0.000 1.136 187 R CA 1.163 57.145 56.100 -0.196 0.000 0.959 187 R CB -1.104 28.928 30.300 -0.446 0.000 0.856 187 R HN 0.304 nan 8.270 nan 0.000 0.437 188 L N 0.049 121.148 121.223 -0.206 0.000 2.046 188 L HA -0.068 4.271 4.340 -0.001 0.000 0.208 188 L C 1.992 178.839 176.870 -0.038 0.000 1.077 188 L CA 1.959 56.649 54.840 -0.251 0.000 0.747 188 L CB -0.824 40.927 42.059 -0.513 0.000 0.896 188 L HN 0.168 nan 8.230 nan 0.000 0.432 189 S N -0.386 115.383 115.700 0.115 0.000 2.382 189 S HA -0.171 4.299 4.470 -0.001 0.000 0.228 189 S C 1.515 176.177 174.600 0.104 0.000 1.027 189 S CA 1.357 59.671 58.200 0.190 0.000 0.991 189 S CB -0.411 62.904 63.200 0.192 0.000 0.823 189 S HN 0.544 nan 8.310 nan 0.000 0.469 190 D N 1.366 121.822 120.400 0.094 0.000 2.144 190 D HA 0.018 4.658 4.640 -0.001 0.000 0.200 190 D C 1.782 178.111 176.300 0.048 0.000 0.978 190 D CA 0.722 54.774 54.000 0.087 0.000 0.833 190 D CB -0.285 40.602 40.800 0.144 0.000 0.961 190 D HN 0.313 nan 8.370 nan 0.000 0.470 191 L N 0.393 121.625 121.223 0.016 0.000 2.240 191 L HA -0.043 4.297 4.340 -0.001 0.000 0.211 191 L C 2.325 179.178 176.870 -0.027 0.000 1.106 191 L CA 1.339 56.175 54.840 -0.006 0.000 0.793 191 L CB -0.344 41.674 42.059 -0.069 0.000 0.927 191 L HN 0.157 nan 8.230 nan 0.000 0.446 192 T N -4.918 109.626 114.554 -0.017 0.000 3.040 192 T HA 0.217 4.567 4.350 -0.001 0.000 0.252 192 T C 1.526 176.239 174.700 0.023 0.000 1.064 192 T CA 0.593 62.692 62.100 -0.002 0.000 1.110 192 T CB 0.705 69.603 68.868 0.050 0.000 0.921 192 T HN 0.369 nan 8.240 nan 0.000 0.480 193 G N 1.588 110.408 108.800 0.035 0.000 2.176 193 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.253 193 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.253 193 G C -0.047 174.860 174.900 0.013 0.000 0.979 193 G CA -0.004 45.110 45.100 0.022 0.000 0.641 193 G HN 0.746 nan 8.290 nan 0.000 0.530 194 N N 0.900 119.614 118.700 0.024 0.000 2.485 194 N HA 0.483 5.222 4.740 -0.001 0.000 0.243 194 N C -1.181 174.286 175.510 -0.071 0.000 0.987 194 N CA -2.066 50.951 53.050 -0.054 0.000 0.940 194 N CB 1.815 40.230 38.487 -0.120 0.000 1.122 194 N HN -0.013 nan 8.380 nan 0.000 0.509 195 P HA -0.133 nan 4.420 nan 0.000 0.222 195 P C 1.287 178.550 177.300 -0.062 0.000 1.147 195 P CA 0.871 63.956 63.100 -0.026 0.000 0.790 195 P CB 0.431 32.119 31.700 -0.020 0.000 0.780 196 Q N -0.610 119.077 119.800 -0.189 0.000 2.047 196 Q HA -0.262 4.077 4.340 -0.001 0.000 0.211 196 Q C 1.818 177.759 176.000 -0.099 0.000 1.005 196 Q CA 1.999 57.674 55.803 -0.214 0.000 0.866 196 Q CB -0.758 27.761 28.738 -0.366 0.000 0.938 196 Q HN 0.273 nan 8.270 nan 0.000 0.414 197 Y N -0.164 120.229 120.300 0.156 0.000 2.040 197 Y HA -0.314 4.235 4.550 -0.001 0.000 0.275 197 Y C 2.551 178.638 175.900 0.312 0.000 1.171 197 Y CA 0.832 59.147 58.100 0.359 0.000 1.123 197 Y CB -0.609 37.963 38.460 0.187 0.000 0.963 197 Y HN 0.319 nan 8.280 nan 0.000 0.493 198 A N -0.175 122.850 122.820 0.342 0.000 1.972 198 A HA -0.274 4.045 4.320 -0.001 0.000 0.219 198 A C 2.066 179.730 177.584 0.132 0.000 1.169 198 A CA 1.914 54.099 52.037 0.246 0.000 0.635 198 A CB -0.713 18.416 19.000 0.213 0.000 0.810 198 A HN 0.581 nan 8.150 nan 0.000 0.446 199 Q N -0.539 119.299 119.800 0.063 0.000 2.046 199 Q HA -0.040 4.300 4.340 -0.001 0.000 0.200 199 Q C 2.074 178.006 176.000 -0.114 0.000 0.975 199 Q CA 1.448 57.249 55.803 -0.004 0.000 0.836 199 Q CB -0.268 28.459 28.738 -0.019 0.000 0.896 199 Q HN 0.705 nan 8.270 nan 0.000 0.428 200 L N -0.167 120.905 121.223 -0.252 0.000 2.017 200 L HA -0.201 4.139 4.340 -0.001 0.000 0.208 200 L C 2.493 178.766 176.870 -0.994 0.000 1.073 200 L CA 1.125 55.560 54.840 -0.675 0.000 0.745 200 L CB -0.671 40.810 42.059 -0.963 0.000 0.894 200 L HN 0.238 nan 8.230 nan 0.000 0.432 201 A N -0.343 121.989 122.820 -0.813 0.000 1.877 201 A HA -0.240 4.080 4.320 -0.001 0.000 0.216 201 A C 2.207 179.756 177.584 -0.058 0.000 1.186 201 A CA 1.557 53.329 52.037 -0.441 0.000 0.620 201 A CB -0.520 18.371 19.000 -0.183 0.000 0.822 201 A HN 0.497 nan 8.150 nan 0.000 0.443 202 Q N -0.802 119.020 119.800 0.037 0.000 2.291 202 Q HA -0.120 4.220 4.340 -0.001 0.000 0.205 202 Q C 2.038 178.118 176.000 0.133 0.000 0.970 202 Q CA 1.411 57.327 55.803 0.188 0.000 0.876 202 Q CB -0.115 28.779 28.738 0.261 0.000 0.935 202 Q HN 0.729 nan 8.270 nan 0.000 0.455 203 K N 0.267 120.688 120.400 0.034 0.000 2.167 203 K HA -0.073 4.247 4.320 -0.001 0.000 0.203 203 K C 1.958 178.642 176.600 0.141 0.000 1.052 203 K CA 1.115 57.427 56.287 0.042 0.000 0.956 203 K CB -0.099 32.410 32.500 0.014 0.000 0.735 203 K HN 0.233 nan 8.250 nan 0.000 0.451 204 G N 0.695 109.596 108.800 0.169 0.000 2.403 204 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.216 204 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.216 204 G C 1.329 176.389 174.900 0.267 0.000 1.154 204 G CA 0.748 46.023 45.100 0.291 0.000 0.784 204 G HN 0.419 nan 8.290 nan 0.000 0.538 205 E N 1.468 121.792 120.200 0.207 0.000 2.106 205 E HA -0.141 4.209 4.350 -0.001 0.000 0.192 205 E C 2.661 179.351 176.600 0.149 0.000 0.984 205 E CA 1.503 58.022 56.400 0.198 0.000 0.806 205 E CB -0.274 29.572 29.700 0.244 0.000 0.750 205 E HN 0.424 nan 8.360 nan 0.000 0.458 206 S N -0.543 115.219 115.700 0.102 0.000 2.392 206 S HA -0.268 4.202 4.470 -0.001 0.000 0.232 206 S C 1.834 176.422 174.600 -0.019 0.000 1.041 206 S CA 1.380 59.583 58.200 0.006 0.000 1.026 206 S CB -0.941 62.191 63.200 -0.112 0.000 0.845 206 S HN 0.454 nan 8.310 nan 0.000 0.465 207 Y N 1.019 121.367 120.300 0.081 0.000 2.403 207 Y HA 0.112 4.661 4.550 -0.001 0.000 0.291 207 Y C 1.974 177.961 175.900 0.145 0.000 1.143 207 Y CA 0.473 58.621 58.100 0.081 0.000 1.257 207 Y CB -0.318 38.147 38.460 0.009 0.000 0.984 207 Y HN 0.263 nan 8.280 nan 0.000 0.550 208 L N -1.127 120.239 121.223 0.237 0.000 2.375 208 L HA -0.022 4.317 4.340 -0.001 0.000 0.215 208 L C 1.762 178.741 176.870 0.182 0.000 1.108 208 L CA 1.123 56.083 54.840 0.201 0.000 0.830 208 L CB -0.710 41.340 42.059 -0.014 0.000 0.959 208 L HN 0.235 nan 8.230 nan 0.000 0.457 209 L N -1.206 120.103 121.223 0.143 0.000 2.446 209 L HA 0.084 4.423 4.340 -0.001 0.000 0.219 209 L C 0.689 177.629 176.870 0.117 0.000 1.116 209 L CA 0.376 55.266 54.840 0.084 0.000 0.844 209 L CB -0.127 41.946 42.059 0.024 0.000 0.970 209 L HN 0.252 nan 8.230 nan 0.000 0.457 210 N N 0.505 119.286 118.700 0.135 0.000 2.687 210 N HA 0.183 4.922 4.740 -0.001 0.000 0.275 210 N C -2.606 172.985 175.510 0.135 0.000 1.789 210 N CA -1.585 51.536 53.050 0.120 0.000 0.806 210 N CB 0.804 39.358 38.487 0.110 0.000 1.256 210 N HN -0.104 nan 8.380 nan 0.000 0.500 211 P HA 0.042 nan 4.420 nan 0.000 0.264 211 P C -0.703 176.669 177.300 0.120 0.000 1.183 211 P CA 0.534 63.700 63.100 0.110 0.000 0.763 211 P CB 1.091 32.563 31.700 -0.379 0.000 0.807 212 K N 1.220 121.774 120.400 0.256 0.000 2.482 212 K HA 0.638 4.957 4.320 -0.001 0.000 0.257 212 K C 0.342 177.066 176.600 0.205 0.000 0.969 212 K CA -0.394 55.998 56.287 0.175 0.000 0.842 212 K CB 2.257 34.853 32.500 0.160 0.000 1.359 212 K HN 0.734 nan 8.250 nan 0.000 0.441 213 G N 0.613 109.486 108.800 0.123 0.000 2.709 213 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.228 213 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.228 213 G C -0.700 174.252 174.900 0.087 0.000 1.215 213 G CA -0.550 44.615 45.100 0.109 0.000 1.003 213 G HN 0.486 nan 8.290 nan 0.000 0.584 214 S N 4.407 120.175 115.700 0.113 0.000 2.544 214 S HA 0.417 4.887 4.470 -0.001 0.000 0.290 214 S C -1.601 173.010 174.600 0.018 0.000 1.276 214 S CA 0.263 58.505 58.200 0.071 0.000 1.075 214 S CB 0.877 64.140 63.200 0.105 0.000 0.849 214 S HN 0.674 nan 8.310 nan 0.000 0.494 215 P HA 0.010 nan 4.420 nan 0.000 0.266 215 P C -0.186 177.047 177.300 -0.112 0.000 1.195 215 P CA -0.175 62.885 63.100 -0.068 0.000 0.768 215 P CB 0.442 32.102 31.700 -0.067 0.000 0.838 216 E N 1.712 121.823 120.200 -0.149 0.000 2.415 216 E HA 0.124 4.474 4.350 -0.001 0.000 0.263 216 E C 1.336 177.825 176.600 -0.185 0.000 0.995 216 E CA -0.234 56.061 56.400 -0.174 0.000 0.915 216 E CB 0.577 30.183 29.700 -0.156 0.000 0.951 216 E HN 0.453 nan 8.360 nan 0.000 0.449 217 A N 6.306 129.018 122.820 -0.181 0.000 1.877 217 A HA -0.098 4.222 4.320 -0.001 0.000 0.216 217 A C 0.180 177.411 177.584 -0.588 0.000 1.186 217 A CA 1.023 52.838 52.037 -0.370 0.000 0.620 217 A CB -0.006 18.848 19.000 -0.244 0.000 0.822 217 A HN 0.704 nan 8.150 nan 0.000 0.443 218 W N -2.601 118.556 121.300 -0.239 0.000 3.118 218 W HA 0.395 5.054 4.660 -0.001 0.000 0.328 218 W C -3.022 173.400 176.519 -0.160 0.000 1.239 218 W CA -2.722 54.490 57.345 -0.221 0.000 1.176 218 W CB 0.523 29.809 29.460 -0.289 0.000 1.433 218 W HN -0.143 nan 8.180 nan 0.000 0.562 219 P HA 0.084 nan 4.420 nan 0.000 0.258 219 P C 0.754 178.074 177.300 0.033 0.000 1.172 219 P CA 2.575 65.711 63.100 0.060 0.000 0.762 219 P CB 0.114 31.853 31.700 0.064 0.000 0.764 220 G N 2.838 111.650 108.800 0.022 0.000 2.234 220 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.260 220 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.260 220 G C 0.038 175.005 174.900 0.110 0.000 0.987 220 G CA -0.253 44.874 45.100 0.046 0.000 0.625 220 G HN 0.497 nan 8.290 nan 0.000 0.532 221 L N 2.555 123.805 121.223 0.045 0.000 2.315 221 L HA 0.504 4.844 4.340 -0.001 0.000 0.278 221 L C 1.341 178.270 176.870 0.099 0.000 1.088 221 L CA -0.860 54.022 54.840 0.070 0.000 0.899 221 L CB 0.247 42.132 42.059 -0.291 0.000 1.277 221 L HN 0.427 nan 8.230 nan 0.000 0.431 222 I N -1.041 119.615 120.570 0.144 0.000 3.156 222 I HA 0.648 4.817 4.170 -0.001 0.000 0.306 222 I C 1.002 177.124 176.117 0.009 0.000 1.048 222 I CA -0.538 60.661 61.300 -0.169 0.000 1.207 222 I CB 0.587 38.306 38.000 -0.467 0.000 1.456 222 I HN 0.373 nan 8.210 nan 0.000 0.616 223 G N 0.799 109.531 108.800 -0.114 0.000 2.621 223 G HA2 0.359 4.318 3.960 -0.001 0.000 0.271 223 G HA3 0.359 4.318 3.960 -0.001 0.000 0.271 223 G C 0.394 175.384 174.900 0.150 0.000 1.236 223 G CA -0.097 45.111 45.100 0.180 0.000 0.958 223 G HN 0.775 nan 8.290 nan 0.000 0.512 224 T N -0.569 113.959 114.554 -0.043 0.000 2.953 224 T HA 0.177 4.526 4.350 -0.001 0.000 0.247 224 T C 0.203 174.563 174.700 -0.566 0.000 1.029 224 T CA 0.669 62.537 62.100 -0.387 0.000 1.144 224 T CB -0.112 68.377 68.868 -0.631 0.000 0.870 224 T HN 0.232 nan 8.240 nan 0.000 0.446 225 F N 1.215 121.111 119.950 -0.090 0.000 2.422 225 F HA 0.605 5.131 4.527 -0.001 0.000 0.333 225 F C -0.251 175.371 175.800 -0.296 0.000 1.095 225 F CA -1.074 56.821 58.000 -0.174 0.000 1.038 225 F CB 1.308 40.235 39.000 -0.122 0.000 1.156 225 F HN -0.230 nan 8.300 nan 0.000 0.483 226 V N 1.855 121.656 119.914 -0.189 0.000 2.604 226 V HA 0.352 4.471 4.120 -0.001 0.000 0.305 226 V C -0.245 175.712 176.094 -0.228 0.000 1.043 226 V CA -0.975 61.091 62.300 -0.389 0.000 0.888 226 V CB 1.984 33.447 31.823 -0.600 0.000 0.995 226 V HN 0.817 nan 8.190 nan 0.000 0.429 227 S N 2.481 118.050 115.700 -0.219 0.000 2.564 227 S HA 0.107 4.576 4.470 -0.001 0.000 0.278 227 S C 1.282 175.759 174.600 -0.204 0.000 1.333 227 S CA 0.360 58.459 58.200 -0.168 0.000 1.048 227 S CB 1.223 64.343 63.200 -0.134 0.000 0.900 227 S HN 1.057 nan 8.310 nan 0.000 0.505 228 T N 0.874 115.335 114.554 -0.156 0.000 3.081 228 T HA 0.007 4.357 4.350 -0.001 0.000 0.255 228 T C 1.828 176.443 174.700 -0.141 0.000 1.113 228 T CA 0.702 62.710 62.100 -0.154 0.000 1.082 228 T CB -0.505 68.300 68.868 -0.104 0.000 0.939 228 T HN 0.727 nan 8.240 nan 0.000 0.506 229 S N 2.959 118.585 115.700 -0.123 0.000 2.406 229 S HA -0.052 4.418 4.470 -0.001 0.000 0.224 229 S C 1.608 176.141 174.600 -0.111 0.000 1.030 229 S CA 0.846 58.991 58.200 -0.091 0.000 0.958 229 S CB -0.466 62.696 63.200 -0.063 0.000 0.811 229 S HN 0.710 nan 8.310 nan 0.000 0.489 230 N N -0.484 118.122 118.700 -0.157 0.000 2.143 230 N HA 0.294 5.034 4.740 -0.001 0.000 0.229 230 N C 0.949 176.258 175.510 -0.336 0.000 1.294 230 N CA 0.257 53.210 53.050 -0.162 0.000 0.883 230 N CB -0.057 38.394 38.487 -0.061 0.000 1.148 230 N HN 0.550 nan 8.380 nan 0.000 0.511 231 G N 0.435 108.938 108.800 -0.496 0.000 2.203 231 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.263 231 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.263 231 G C 0.138 174.841 174.900 -0.328 0.000 1.012 231 G CA 0.911 45.585 45.100 -0.709 0.000 0.749 231 G HN 0.864 nan 8.290 nan 0.000 0.512 232 T N -1.926 112.518 114.554 -0.183 0.000 2.922 232 T HA 0.674 5.023 4.350 -0.001 0.000 0.285 232 T C 0.228 174.860 174.700 -0.113 0.000 1.005 232 T CA -0.854 61.224 62.100 -0.037 0.000 1.061 232 T CB 1.516 70.400 68.868 0.026 0.000 1.007 232 T HN 0.222 nan 8.240 nan 0.000 0.502 233 F N 1.424 121.364 119.950 -0.016 0.000 2.484 233 F HA 0.261 4.788 4.527 -0.001 0.000 0.360 233 F C 1.777 177.577 175.800 -0.001 0.000 1.101 233 F CA -0.186 57.804 58.000 -0.017 0.000 1.251 233 F CB 0.951 39.938 39.000 -0.022 0.000 1.132 233 F HN 0.663 nan 8.300 nan 0.000 0.570 234 Q N 1.154 121.034 119.800 0.134 0.000 2.247 234 Q HA 0.173 4.513 4.340 -0.001 0.000 0.211 234 Q C -0.907 175.170 176.000 0.128 0.000 0.861 234 Q CA -0.054 55.810 55.803 0.101 0.000 0.949 234 Q CB 0.290 29.060 28.738 0.053 0.000 1.115 234 Q HN 0.823 nan 8.270 nan 0.000 0.507 235 D N -2.804 117.701 120.400 0.175 0.000 2.671 235 D HA 0.183 4.822 4.640 -0.001 0.000 0.273 235 D C -0.673 175.701 176.300 0.124 0.000 1.264 235 D CA -0.736 53.343 54.000 0.133 0.000 0.788 235 D CB 0.748 41.634 40.800 0.144 0.000 1.324 235 D HN -0.230 nan 8.370 nan 0.000 0.424 236 S N -0.304 115.442 115.700 0.077 0.000 2.624 236 S HA 0.414 4.883 4.470 -0.001 0.000 0.246 236 S C -0.535 174.139 174.600 0.123 0.000 1.072 236 S CA -0.528 57.716 58.200 0.072 0.000 1.045 236 S CB 0.103 63.311 63.200 0.014 0.000 0.851 236 S HN 0.424 nan 8.310 nan 0.000 0.480 237 S N 1.130 116.860 115.700 0.049 0.000 2.593 237 S HA 0.917 5.387 4.470 -0.001 0.000 0.297 237 S C 0.397 174.804 174.600 -0.322 0.000 1.112 237 S CA -0.557 57.582 58.200 -0.101 0.000 1.043 237 S CB 1.805 64.956 63.200 -0.082 0.000 1.054 237 S HN 0.627 nan 8.310 nan 0.000 0.516 238 G N 0.509 108.773 108.800 -0.894 0.000 2.430 238 G HA2 0.643 4.603 3.960 -0.001 0.000 0.300 238 G HA3 0.643 4.603 3.960 -0.001 0.000 0.300 238 G C -1.110 173.247 174.900 -0.905 0.000 1.330 238 G CA 0.038 44.641 45.100 -0.827 0.000 0.813 238 G HN 1.259 nan 8.290 nan 0.000 0.487 239 S N -2.558 113.013 115.700 -0.215 0.000 2.671 239 S HA 0.431 4.901 4.470 -0.001 0.000 0.270 239 S C -1.552 173.242 174.600 0.323 0.000 1.166 239 S CA -0.471 57.827 58.200 0.163 0.000 0.868 239 S CB 0.534 63.798 63.200 0.107 0.000 1.190 239 S HN 0.962 nan 8.310 nan 0.000 0.494 240 W N 1.898 123.393 121.300 0.325 0.000 3.194 240 W HA 0.579 5.239 4.660 -0.001 0.000 0.408 240 W C 0.848 177.583 176.519 0.361 0.000 1.072 240 W CA -0.100 57.502 57.345 0.428 0.000 1.953 240 W CB 0.136 29.817 29.460 0.369 0.000 1.091 240 W HN 0.644 nan 8.180 nan 0.000 0.699 241 S N -0.730 115.174 115.700 0.341 0.000 2.694 241 S HA 0.676 5.146 4.470 -0.001 0.000 0.286 241 S C 0.636 175.285 174.600 0.082 0.000 1.080 241 S CA -0.636 57.691 58.200 0.212 0.000 0.953 241 S CB -0.235 63.052 63.200 0.145 0.000 1.313 241 S HN 0.025 nan 8.310 nan 0.000 0.555 242 G N -0.063 108.760 108.800 0.038 0.000 2.368 242 G HA2 0.331 4.290 3.960 -0.001 0.000 0.233 242 G HA3 0.331 4.290 3.960 -0.001 0.000 0.233 242 G C 0.286 175.127 174.900 -0.098 0.000 1.267 242 G CA 0.101 45.186 45.100 -0.026 0.000 0.873 242 G HN 0.851 nan 8.290 nan 0.000 0.539 243 L N -0.400 120.716 121.223 -0.178 0.000 4.610 243 L HA -0.245 4.094 4.340 -0.001 0.000 0.397 243 L C 1.592 178.279 176.870 -0.305 0.000 0.806 243 L CA 1.608 56.282 54.840 -0.277 0.000 2.169 243 L CB -1.343 40.536 42.059 -0.300 0.000 1.402 243 L HN 0.700 nan 8.230 nan 0.000 0.603 244 M N -1.044 118.424 119.600 -0.220 0.000 1.999 244 M HA 0.021 4.500 4.480 -0.001 0.000 0.312 244 M C 1.325 177.534 176.300 -0.153 0.000 0.982 244 M CA 0.966 56.133 55.300 -0.222 0.000 1.125 244 M CB 0.238 32.719 32.600 -0.199 0.000 2.053 244 M HN 0.237 nan 8.290 nan 0.000 0.703 245 D N 1.491 121.861 120.400 -0.051 0.000 2.269 245 D HA -0.272 4.368 4.640 -0.001 0.000 0.191 245 D C 1.485 177.725 176.300 -0.100 0.000 1.007 245 D CA 2.837 56.853 54.000 0.027 0.000 0.855 245 D CB -1.413 39.337 40.800 -0.084 0.000 0.979 245 D HN 0.506 nan 8.370 nan 0.000 0.452 246 S N -0.913 114.654 115.700 -0.223 0.000 2.493 246 S HA -0.138 4.331 4.470 -0.001 0.000 0.243 246 S C 1.892 176.396 174.600 -0.160 0.000 0.991 246 S CA 0.695 58.770 58.200 -0.208 0.000 0.957 246 S CB -1.129 61.952 63.200 -0.199 0.000 0.756 246 S HN 0.453 nan 8.310 nan 0.000 0.521 247 F N 1.755 121.550 119.950 -0.258 0.000 2.060 247 F HA -0.036 4.491 4.527 -0.001 0.000 0.295 247 F C 2.134 177.876 175.800 -0.097 0.000 1.120 247 F CA 1.164 59.011 58.000 -0.256 0.000 1.205 247 F CB -0.517 38.219 39.000 -0.439 0.000 0.986 247 F HN 0.119 nan 8.300 nan 0.000 0.470 248 Y N 0.663 120.728 120.300 -0.392 0.000 2.207 248 Y HA -0.266 4.284 4.550 -0.001 0.000 0.287 248 Y C 2.671 178.597 175.900 0.044 0.000 1.156 248 Y CA 1.447 59.319 58.100 -0.381 0.000 1.182 248 Y CB -0.654 37.454 38.460 -0.587 0.000 0.979 248 Y HN 0.280 nan 8.280 nan 0.000 0.521 249 E N -0.046 120.375 120.200 0.368 0.000 2.058 249 E HA -0.264 4.085 4.350 -0.001 0.000 0.194 249 E C 1.498 178.334 176.600 0.393 0.000 0.997 249 E CA 1.512 58.218 56.400 0.509 0.000 0.801 249 E CB -0.330 29.672 29.700 0.504 0.000 0.746 249 E HN 0.490 nan 8.360 nan 0.000 0.450 250 Y N 0.633 120.964 120.300 0.050 0.000 2.616 250 Y HA -0.035 4.515 4.550 -0.001 0.000 0.296 250 Y C 1.957 177.878 175.900 0.035 0.000 1.154 250 Y CA 0.393 58.515 58.100 0.036 0.000 1.325 250 Y CB -0.141 38.350 38.460 0.051 0.000 1.007 250 Y HN 0.130 nan 8.280 nan 0.000 0.542 251 L N -0.188 121.116 121.223 0.136 0.000 2.005 251 L HA -0.214 4.126 4.340 -0.001 0.000 0.207 251 L C 2.244 179.162 176.870 0.080 0.000 1.072 251 L CA 1.150 56.079 54.840 0.148 0.000 0.744 251 L CB -0.553 41.599 42.059 0.155 0.000 0.895 251 L HN 0.194 nan 8.230 nan 0.000 0.433 252 I N -2.316 118.138 120.570 -0.194 0.000 2.876 252 I HA -0.124 4.045 4.170 -0.001 0.000 0.264 252 I C 1.990 178.055 176.117 -0.087 0.000 1.204 252 I CA 1.253 62.349 61.300 -0.338 0.000 1.485 252 I CB -1.048 36.405 38.000 -0.911 0.000 1.103 252 I HN 0.244 nan 8.210 nan 0.000 0.446 253 K N 0.325 120.689 120.400 -0.060 0.000 2.155 253 K HA 0.006 4.326 4.320 -0.001 0.000 0.203 253 K C 2.065 178.633 176.600 -0.054 0.000 1.052 253 K CA 1.013 57.268 56.287 -0.054 0.000 0.948 253 K CB -0.083 32.334 32.500 -0.138 0.000 0.728 253 K HN 0.217 nan 8.250 nan 0.000 0.448 254 M N -0.320 119.228 119.600 -0.086 0.000 2.175 254 M HA -0.133 4.347 4.480 -0.001 0.000 0.264 254 M C 2.021 178.341 176.300 0.035 0.000 1.063 254 M CA 1.393 56.547 55.300 -0.244 0.000 1.119 254 M CB -0.819 31.445 32.600 -0.561 0.000 1.377 254 M HN 0.111 nan 8.290 nan 0.000 0.415 255 Y N 1.139 121.444 120.300 0.008 0.000 2.181 255 Y HA -0.223 4.326 4.550 -0.001 0.000 0.288 255 Y C 2.198 178.130 175.900 0.053 0.000 1.146 255 Y CA 1.468 59.611 58.100 0.071 0.000 1.164 255 Y CB -0.396 38.070 38.460 0.010 0.000 0.982 255 Y HN 0.155 nan 8.280 nan 0.000 0.515 256 L N -0.653 120.572 121.223 0.003 0.000 2.093 256 L HA -0.157 4.183 4.340 -0.001 0.000 0.208 256 L C 2.101 178.938 176.870 -0.055 0.000 1.085 256 L CA 1.805 56.604 54.840 -0.069 0.000 0.755 256 L CB -1.449 40.620 42.059 0.016 0.000 0.904 256 L HN 0.352 nan 8.230 nan 0.000 0.435 257 Y N 0.329 120.580 120.300 -0.081 0.000 2.165 257 Y HA -0.133 4.417 4.550 -0.001 0.000 0.286 257 Y C 0.440 176.340 175.900 -0.000 0.000 1.155 257 Y CA 1.710 59.781 58.100 -0.049 0.000 1.164 257 Y CB 0.210 38.620 38.460 -0.082 0.000 0.978 257 Y HN 0.399 nan 8.280 nan 0.000 0.513 258 D N -2.174 118.271 120.400 0.074 0.000 2.312 258 D HA 0.173 4.812 4.640 -0.001 0.000 0.229 258 D C -2.491 173.798 176.300 -0.018 0.000 1.337 258 D CA -1.591 52.409 54.000 -0.000 0.000 0.964 258 D CB 1.306 42.174 40.800 0.113 0.000 1.456 258 D HN -0.105 nan 8.370 nan 0.000 0.547 259 P HA -0.112 nan 4.420 nan 0.000 0.219 259 P C 1.452 178.716 177.300 -0.060 0.000 1.146 259 P CA 0.588 63.407 63.100 -0.468 0.000 0.808 259 P CB 0.614 31.958 31.700 -0.594 0.000 0.779 260 V N 0.222 120.091 119.914 -0.075 0.000 2.283 260 V HA -0.115 4.004 4.120 -0.001 0.000 0.239 260 V C 2.496 178.533 176.094 -0.095 0.000 1.035 260 V CA 2.075 64.347 62.300 -0.047 0.000 1.018 260 V CB -1.777 30.000 31.823 -0.076 0.000 0.658 260 V HN 0.049 nan 8.190 nan 0.000 0.459 261 A N -0.635 122.039 122.820 -0.243 0.000 2.024 261 A HA -0.113 4.206 4.320 -0.001 0.000 0.220 261 A C 1.502 178.636 177.584 -0.751 0.000 1.164 261 A CA 1.689 53.397 52.037 -0.549 0.000 0.643 261 A CB -0.590 17.918 19.000 -0.819 0.000 0.806 261 A HN 0.578 nan 8.150 nan 0.000 0.451 262 F N -1.548 118.415 119.950 0.023 0.000 2.879 262 F HA 0.488 5.014 4.527 -0.001 0.000 0.354 262 F C 1.612 177.572 175.800 0.266 0.000 1.291 262 F CA 0.031 58.036 58.000 0.008 0.000 1.238 262 F CB 0.228 39.066 39.000 -0.270 0.000 1.005 262 F HN 0.169 nan 8.300 nan 0.000 0.508 263 A N -0.579 122.464 122.820 0.372 0.000 1.968 263 A HA -0.184 4.136 4.320 -0.001 0.000 0.217 263 A C 2.146 179.957 177.584 0.379 0.000 1.169 263 A CA 1.383 53.665 52.037 0.408 0.000 0.638 263 A CB -0.826 18.348 19.000 0.288 0.000 0.812 263 A HN 0.631 nan 8.150 nan 0.000 0.446 264 H N -2.156 117.103 119.070 0.315 0.000 2.423 264 H HA -0.139 4.417 4.556 -0.001 0.000 0.297 264 H C 1.747 177.291 175.328 0.360 0.000 1.075 264 H CA 1.638 57.861 56.048 0.293 0.000 1.342 264 H CB -0.036 29.892 29.762 0.276 0.000 1.395 264 H HN 0.692 nan 8.280 nan 0.000 0.530 265 Y N 0.955 121.372 120.300 0.194 0.000 2.181 265 Y HA -0.212 4.338 4.550 -0.001 0.000 0.288 265 Y C 2.928 178.872 175.900 0.074 0.000 1.146 265 Y CA 1.073 59.246 58.100 0.121 0.000 1.164 265 Y CB 0.065 38.653 38.460 0.213 0.000 0.982 265 Y HN 0.111 nan 8.280 nan 0.000 0.515 266 K N 0.566 121.110 120.400 0.241 0.000 2.063 266 K HA -0.229 4.091 4.320 -0.001 0.000 0.208 266 K C 1.233 177.863 176.600 0.049 0.000 1.048 266 K CA 2.078 58.356 56.287 -0.015 0.000 0.928 266 K CB -0.227 31.987 32.500 -0.477 0.000 0.713 266 K HN 0.250 nan 8.250 nan 0.000 0.442 267 D N 0.411 120.845 120.400 0.056 0.000 2.117 267 D HA -0.130 4.509 4.640 -0.001 0.000 0.197 267 D C 2.074 178.390 176.300 0.026 0.000 0.987 267 D CA 0.840 54.871 54.000 0.051 0.000 0.829 267 D CB -0.038 40.816 40.800 0.091 0.000 0.961 267 D HN 0.136 nan 8.370 nan 0.000 0.460 268 R N -0.399 120.085 120.500 -0.028 0.000 2.120 268 R HA -0.121 4.219 4.340 -0.001 0.000 0.234 268 R C 2.134 178.461 176.300 0.045 0.000 1.123 268 R CA 0.477 56.567 56.100 -0.017 0.000 0.975 268 R CB -1.048 29.213 30.300 -0.066 0.000 0.866 268 R HN 0.380 nan 8.270 nan 0.000 0.446 269 W N 1.158 122.400 121.300 -0.096 0.000 2.379 269 W HA -0.172 4.488 4.660 -0.001 0.000 0.307 269 W C 1.932 178.344 176.519 -0.179 0.000 1.200 269 W CA 1.201 58.465 57.345 -0.135 0.000 1.297 269 W CB -0.251 29.111 29.460 -0.163 0.000 1.140 269 W HN -0.213 nan 8.180 nan 0.000 0.507 270 V N 1.316 121.244 119.914 0.023 0.000 2.324 270 V HA -0.357 3.763 4.120 -0.001 0.000 0.250 270 V C 2.307 178.291 176.094 -0.184 0.000 1.060 270 V CA 2.089 64.333 62.300 -0.093 0.000 1.042 270 V CB -1.138 30.743 31.823 0.097 0.000 0.650 270 V HN 0.255 nan 8.190 nan 0.000 0.450 271 L N 0.186 121.340 121.223 -0.114 0.000 2.056 271 L HA -0.059 4.280 4.340 -0.001 0.000 0.207 271 L C 2.676 179.440 176.870 -0.177 0.000 1.078 271 L CA 1.719 56.503 54.840 -0.092 0.000 0.749 271 L CB -1.168 40.873 42.059 -0.030 0.000 0.901 271 L HN 0.462 nan 8.230 nan 0.000 0.433 272 G N -0.377 108.259 108.800 -0.274 0.000 2.433 272 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.216 272 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.216 272 G C 1.771 176.414 174.900 -0.429 0.000 1.186 272 G CA 0.858 45.721 45.100 -0.396 0.000 0.779 272 G HN 0.459 nan 8.290 nan 0.000 0.543 273 A N 1.051 123.411 122.820 -0.766 0.000 1.877 273 A HA -0.078 4.242 4.320 -0.001 0.000 0.216 273 A C 2.120 179.544 177.584 -0.267 0.000 1.186 273 A CA 2.171 53.751 52.037 -0.762 0.000 0.620 273 A CB -0.498 17.434 19.000 -1.779 0.000 0.822 273 A HN 0.296 nan 8.150 nan 0.000 0.443 274 D N -0.206 120.069 120.400 -0.209 0.000 2.117 274 D HA -0.072 4.567 4.640 -0.001 0.000 0.197 274 D C 2.283 178.467 176.300 -0.194 0.000 0.987 274 D CA 1.554 55.480 54.000 -0.124 0.000 0.829 274 D CB -0.389 40.373 40.800 -0.064 0.000 0.961 274 D HN 0.366 nan 8.370 nan 0.000 0.460 275 S N 0.040 115.640 115.700 -0.167 0.000 2.382 275 S HA -0.147 4.322 4.470 -0.001 0.000 0.228 275 S C 2.227 176.690 174.600 -0.229 0.000 1.027 275 S CA 1.781 59.882 58.200 -0.164 0.000 0.991 275 S CB -0.363 62.780 63.200 -0.095 0.000 0.823 275 S HN 0.541 nan 8.310 nan 0.000 0.469 276 T N 1.015 115.475 114.554 -0.156 0.000 2.777 276 T HA 0.053 4.403 4.350 -0.001 0.000 0.266 276 T C 1.750 176.278 174.700 -0.287 0.000 1.040 276 T CA 0.927 62.968 62.100 -0.098 0.000 1.141 276 T CB -0.696 68.253 68.868 0.134 0.000 0.868 276 T HN 0.351 nan 8.240 nan 0.000 0.444 277 I N 1.686 121.964 120.570 -0.487 0.000 2.264 277 I HA -0.032 4.137 4.170 -0.001 0.000 0.248 277 I C 2.937 178.763 176.117 -0.486 0.000 1.111 277 I CA 1.474 62.309 61.300 -0.775 0.000 1.382 277 I CB -0.660 36.816 38.000 -0.874 0.000 1.060 277 I HN 0.494 nan 8.210 nan 0.000 0.418 278 G N -1.065 107.441 108.800 -0.491 0.000 2.494 278 G HA2 -0.110 3.849 3.960 -0.001 0.000 0.216 278 G HA3 -0.110 3.849 3.960 -0.001 0.000 0.216 278 G C 1.133 175.499 174.900 -0.889 0.000 1.140 278 G CA 0.403 45.115 45.100 -0.646 0.000 0.801 278 G HN 0.459 nan 8.290 nan 0.000 0.536 279 H N -1.422 117.366 119.070 -0.470 0.000 3.266 279 H HA 0.343 4.898 4.556 -0.001 0.000 0.246 279 H C 2.144 177.288 175.328 -0.307 0.000 0.998 279 H CA -0.264 55.446 56.048 -0.563 0.000 1.152 279 H CB 0.457 29.381 29.762 -1.396 0.000 1.466 279 H HN 0.137 nan 8.280 nan 0.000 0.481 280 L N 0.377 121.539 121.223 -0.102 0.000 2.307 280 L HA 0.221 4.560 4.340 -0.001 0.000 0.211 280 L C 1.237 178.165 176.870 0.096 0.000 1.099 280 L CA 0.143 55.032 54.840 0.080 0.000 0.816 280 L CB -0.127 42.044 42.059 0.185 0.000 0.952 280 L HN 0.181 nan 8.230 nan 0.000 0.455 281 G N 0.476 109.284 108.800 0.013 0.000 2.272 281 G HA2 0.189 4.148 3.960 -0.001 0.000 0.247 281 G HA3 0.189 4.148 3.960 -0.001 0.000 0.247 281 G C -0.311 174.545 174.900 -0.073 0.000 1.272 281 G CA 0.262 45.368 45.100 0.010 0.000 0.921 281 G HN 0.112 nan 8.290 nan 0.000 0.495 282 S N 1.707 117.354 115.700 -0.088 0.000 2.540 282 S HA 0.522 4.991 4.470 -0.001 0.000 0.275 282 S C -0.978 173.492 174.600 -0.218 0.000 1.123 282 S CA -0.944 57.252 58.200 -0.007 0.000 0.907 282 S CB 0.993 64.475 63.200 0.471 0.000 1.081 282 S HN 0.630 nan 8.310 nan 0.000 0.476 283 H N 2.636 121.751 119.070 0.075 0.000 2.459 283 H HA 0.416 4.971 4.556 -0.001 0.000 0.332 283 H C -2.653 172.719 175.328 0.073 0.000 1.094 283 H CA -1.805 54.205 56.048 -0.063 0.000 1.224 283 H CB 1.265 30.999 29.762 -0.046 0.000 1.449 283 H HN 0.366 nan 8.280 nan 0.000 0.484 284 P HA -0.065 nan 4.420 nan 0.000 0.268 284 P C 0.987 178.462 177.300 0.291 0.000 1.205 284 P CA 0.167 63.462 63.100 0.325 0.000 0.771 284 P CB 0.810 32.632 31.700 0.203 0.000 0.858 285 S N 1.090 117.037 115.700 0.412 0.000 2.399 285 S HA -0.155 4.314 4.470 -0.001 0.000 0.231 285 S C 1.435 176.102 174.600 0.111 0.000 1.022 285 S CA 1.925 60.287 58.200 0.269 0.000 0.983 285 S CB -1.447 61.958 63.200 0.341 0.000 0.803 285 S HN 0.571 nan 8.310 nan 0.000 0.480 286 T N -2.340 112.210 114.554 -0.007 0.000 3.069 286 T HA 0.404 4.753 4.350 -0.001 0.000 0.252 286 T C 0.704 175.305 174.700 -0.165 0.000 1.053 286 T CA -0.349 61.652 62.100 -0.164 0.000 0.964 286 T CB -0.019 68.595 68.868 -0.424 0.000 1.005 286 T HN 0.253 nan 8.240 nan 0.000 0.532 287 R N 0.827 121.261 120.500 -0.110 0.000 2.655 287 R HA 0.420 4.760 4.340 -0.001 0.000 0.261 287 R C 0.698 176.926 176.300 -0.121 0.000 1.624 287 R CA -0.335 55.688 56.100 -0.127 0.000 1.655 287 R CB -0.133 30.086 30.300 -0.134 0.000 1.356 287 R HN 0.115 nan 8.270 nan 0.000 0.684 288 K N 0.077 120.406 120.400 -0.118 0.000 2.360 288 K HA -0.136 4.184 4.320 -0.001 0.000 0.201 288 K C 0.621 177.035 176.600 -0.311 0.000 1.046 288 K CA 1.514 57.691 56.287 -0.183 0.000 0.945 288 K CB 0.284 32.682 32.500 -0.169 0.000 0.750 288 K HN 0.516 nan 8.250 nan 0.000 0.464 289 D N 0.267 120.528 120.400 -0.230 0.000 2.363 289 D HA -0.084 4.555 4.640 -0.001 0.000 0.220 289 D C 0.320 176.477 176.300 -0.238 0.000 0.994 289 D CA 0.273 54.137 54.000 -0.226 0.000 0.890 289 D CB 0.098 40.798 40.800 -0.166 0.000 0.906 289 D HN -0.029 nan 8.370 nan 0.000 0.530 290 L N 0.719 121.776 121.223 -0.277 0.000 2.343 290 L HA 0.384 4.723 4.340 -0.001 0.000 0.275 290 L C 0.004 176.602 176.870 -0.454 0.000 1.056 290 L CA -0.161 54.400 54.840 -0.464 0.000 0.804 290 L CB 2.042 43.707 42.059 -0.655 0.000 1.203 290 L HN -0.214 nan 8.230 nan 0.000 0.440 291 T N 3.196 117.339 114.554 -0.685 0.000 2.890 291 T HA 0.632 4.981 4.350 -0.001 0.000 0.295 291 T C -0.907 173.319 174.700 -0.790 0.000 0.993 291 T CA -0.234 61.512 62.100 -0.589 0.000 0.979 291 T CB 0.479 69.121 68.868 -0.376 0.000 0.967 291 T HN 0.044 nan 8.240 nan 0.000 0.441 292 F N 1.469 121.137 119.950 -0.471 0.000 2.598 292 F HA 0.633 5.159 4.527 -0.001 0.000 0.327 292 F C -0.146 175.601 175.800 -0.089 0.000 1.057 292 F CA -1.777 55.949 58.000 -0.457 0.000 0.957 292 F CB 1.194 39.560 39.000 -1.057 0.000 1.278 292 F HN 0.264 nan 8.300 nan 0.000 0.484 293 L N 1.693 123.156 121.223 0.401 0.000 2.275 293 L HA 0.443 4.783 4.340 -0.001 0.000 0.288 293 L C -0.032 177.134 176.870 0.494 0.000 1.046 293 L CA -0.385 54.663 54.840 0.348 0.000 0.805 293 L CB 1.247 43.433 42.059 0.213 0.000 1.193 293 L HN 0.556 nan 8.230 nan 0.000 0.426 294 S N 0.982 116.953 115.700 0.452 0.000 2.652 294 S HA 0.396 4.865 4.470 -0.001 0.000 0.270 294 S C 0.164 174.959 174.600 0.325 0.000 1.243 294 S CA -0.810 57.611 58.200 0.368 0.000 0.999 294 S CB 1.606 64.984 63.200 0.297 0.000 0.973 294 S HN 0.740 nan 8.310 nan 0.000 0.544 295 S N 0.719 116.540 115.700 0.201 0.000 2.672 295 S HA 0.695 5.164 4.470 -0.001 0.000 0.276 295 S C -0.918 173.818 174.600 0.226 0.000 1.207 295 S CA -0.756 57.538 58.200 0.155 0.000 1.002 295 S CB 0.327 63.533 63.200 0.011 0.000 0.998 295 S HN 0.726 nan 8.310 nan 0.000 0.542 296 Y N -1.290 119.121 120.300 0.185 0.000 2.477 296 Y HA 0.737 5.287 4.550 -0.001 0.000 0.347 296 Y C -1.414 174.556 175.900 0.117 0.000 0.981 296 Y CA -1.361 56.861 58.100 0.204 0.000 1.033 296 Y CB 0.948 39.620 38.460 0.354 0.000 1.245 296 Y HN 0.660 nan 8.280 nan 0.000 0.455 297 N N 2.469 121.304 118.700 0.224 0.000 2.623 297 N HA 0.529 5.268 4.740 -0.001 0.000 0.256 297 N C 0.254 175.813 175.510 0.081 0.000 1.045 297 N CA 0.092 53.205 53.050 0.104 0.000 0.863 297 N CB 1.723 40.239 38.487 0.048 0.000 1.182 297 N HN 1.260 nan 8.380 nan 0.000 0.523 298 G N 1.383 110.226 108.800 0.071 0.000 2.550 298 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.277 298 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.277 298 G C -0.135 174.571 174.900 -0.324 0.000 1.190 298 G CA -0.294 44.740 45.100 -0.110 0.000 0.971 298 G HN 0.544 nan 8.290 nan 0.000 0.559 299 Q N 0.945 120.459 119.800 -0.477 0.000 2.579 299 Q HA 0.508 4.848 4.340 -0.001 0.000 0.344 299 Q C -0.372 175.540 176.000 -0.147 0.000 0.997 299 Q CA 0.154 55.471 55.803 -0.810 0.000 0.991 299 Q CB 0.413 28.666 28.738 -0.809 0.000 1.279 299 Q HN 0.340 nan 8.270 nan 0.000 0.420 300 S N 0.506 116.239 115.700 0.055 0.000 2.547 300 S HA 0.464 4.934 4.470 -0.001 0.000 0.281 300 S C -0.264 174.501 174.600 0.275 0.000 1.118 300 S CA -0.708 57.595 58.200 0.171 0.000 0.947 300 S CB 1.826 65.078 63.200 0.086 0.000 1.053 300 S HN 0.382 nan 8.310 nan 0.000 0.482 301 T N -0.494 114.221 114.554 0.268 0.000 2.888 301 T HA 0.742 5.092 4.350 -0.001 0.000 0.284 301 T C -0.349 174.424 174.700 0.122 0.000 1.017 301 T CA -0.798 61.453 62.100 0.253 0.000 1.022 301 T CB 1.669 70.701 68.868 0.272 0.000 1.013 301 T HN 0.358 nan 8.240 nan 0.000 0.465 302 S N 2.371 118.110 115.700 0.066 0.000 2.498 302 S HA 0.508 4.977 4.470 -0.001 0.000 0.317 302 S C -2.698 171.767 174.600 -0.225 0.000 1.090 302 S CA -1.779 56.384 58.200 -0.062 0.000 1.089 302 S CB 0.787 63.950 63.200 -0.061 0.000 0.997 302 S HN 0.532 nan 8.310 nan 0.000 0.470 303 P HA 0.136 nan 4.420 nan 0.000 0.235 303 P C -0.953 175.355 177.300 -1.653 0.000 1.720 303 P CA 0.101 62.465 63.100 -1.226 0.000 1.003 303 P CB -0.714 30.255 31.700 -1.218 0.000 1.968 304 N N -0.902 117.220 118.700 -0.963 0.000 2.242 304 N HA 0.543 5.282 4.740 -0.001 0.000 0.292 304 N C -1.141 174.182 175.510 -0.312 0.000 1.125 304 N CA -0.614 52.038 53.050 -0.663 0.000 0.783 304 N CB 2.175 40.434 38.487 -0.381 0.000 1.558 304 N HN -0.076 nan 8.380 nan 0.000 0.472 305 S N 0.000 115.455 115.700 -0.409 0.000 3.003 305 S HA 0.923 5.392 4.470 -0.001 0.000 0.313 305 S C -0.959 173.276 174.600 -0.609 0.000 1.230 305 S CA 0.080 58.069 58.200 -0.352 0.000 0.977 305 S CB 0.976 64.085 63.200 -0.152 0.000 1.340 305 S HN 1.183 nan 8.310 nan 0.000 0.608 306 G N -0.514 108.087 108.800 -0.333 0.000 2.428 306 G HA2 0.335 4.295 3.960 -0.001 0.000 0.304 306 G HA3 0.335 4.295 3.960 -0.001 0.000 0.304 306 G C -0.406 174.678 174.900 0.307 0.000 1.303 306 G CA 0.027 45.099 45.100 -0.047 0.000 0.825 306 G HN 0.796 nan 8.290 nan 0.000 0.484 307 H N -0.716 118.499 119.070 0.242 0.000 2.423 307 H HA 0.160 4.716 4.556 -0.001 0.000 0.297 307 H C 2.530 177.987 175.328 0.216 0.000 1.075 307 H CA 1.649 57.866 56.048 0.283 0.000 1.342 307 H CB 0.062 29.982 29.762 0.262 0.000 1.395 307 H HN 0.218 nan 8.280 nan 0.000 0.530 308 L N -0.493 120.921 121.223 0.318 0.000 2.056 308 L HA -0.103 4.236 4.340 -0.001 0.000 0.207 308 L C 2.655 179.706 176.870 0.302 0.000 1.078 308 L CA 0.908 55.895 54.840 0.246 0.000 0.749 308 L CB -0.434 41.721 42.059 0.159 0.000 0.901 308 L HN 0.358 nan 8.230 nan 0.000 0.433 309 A N -1.205 121.776 122.820 0.269 0.000 2.172 309 A HA -0.168 4.151 4.320 -0.001 0.000 0.216 309 A C 2.425 179.980 177.584 -0.049 0.000 1.154 309 A CA 1.398 53.610 52.037 0.292 0.000 0.701 309 A CB -0.488 18.664 19.000 0.253 0.000 0.789 309 A HN 0.356 nan 8.150 nan 0.000 0.465 310 S N -0.390 115.215 115.700 -0.158 0.000 2.465 310 S HA -0.166 4.304 4.470 -0.001 0.000 0.241 310 S C 1.586 176.050 174.600 -0.227 0.000 1.000 310 S CA 1.538 59.459 58.200 -0.465 0.000 0.964 310 S CB -0.706 62.400 63.200 -0.158 0.000 0.763 310 S HN 0.871 nan 8.310 nan 0.000 0.512 311 F N 1.321 121.199 119.950 -0.120 0.000 2.407 311 F HA 0.303 4.830 4.527 -0.001 0.000 0.299 311 F C 2.015 177.790 175.800 -0.042 0.000 1.097 311 F CA 0.510 58.480 58.000 -0.052 0.000 1.422 311 F CB -1.277 37.754 39.000 0.051 0.000 1.067 311 F HN 0.098 nan 8.300 nan 0.000 0.539 312 G N 1.152 109.317 108.800 -1.059 0.000 2.547 312 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.221 312 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.221 312 G C 1.938 176.559 174.900 -0.464 0.000 1.140 312 G CA 1.102 45.643 45.100 -0.933 0.000 0.760 312 G HN 0.675 nan 8.290 nan 0.000 0.583 313 G N 0.813 109.362 108.800 -0.419 0.000 2.491 313 G HA2 -0.020 3.940 3.960 -0.001 0.000 0.218 313 G HA3 -0.020 3.940 3.960 -0.001 0.000 0.218 313 G C 1.820 176.585 174.900 -0.225 0.000 1.180 313 G CA 1.471 46.397 45.100 -0.290 0.000 0.774 313 G HN 0.687 nan 8.290 nan 0.000 0.562 314 G N 0.586 109.196 108.800 -0.316 0.000 2.422 314 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.218 314 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.218 314 G C 1.707 176.239 174.900 -0.612 0.000 1.146 314 G CA 1.187 45.970 45.100 -0.528 0.000 0.769 314 G HN 0.514 nan 8.290 nan 0.000 0.547 315 N N -0.230 118.244 118.700 -0.376 0.000 2.166 315 N HA -0.047 4.693 4.740 -0.001 0.000 0.186 315 N C 1.806 177.294 175.510 -0.037 0.000 1.019 315 N CA 0.904 53.852 53.050 -0.171 0.000 0.856 315 N CB -0.279 38.224 38.487 0.027 0.000 0.993 315 N HN 0.291 nan 8.380 nan 0.000 0.426 316 F N 0.492 120.424 119.950 -0.029 0.000 2.186 316 F HA 0.052 4.578 4.527 -0.001 0.000 0.299 316 F C 2.012 177.872 175.800 0.100 0.000 1.090 316 F CA 0.750 58.842 58.000 0.153 0.000 1.307 316 F CB -0.219 38.850 39.000 0.115 0.000 1.019 316 F HN 0.071 nan 8.300 nan 0.000 0.489 317 I N -0.582 120.071 120.570 0.139 0.000 2.286 317 I HA -0.309 3.860 4.170 -0.001 0.000 0.248 317 I C 2.473 178.624 176.117 0.058 0.000 1.115 317 I CA 1.102 62.446 61.300 0.073 0.000 1.392 317 I CB -0.390 37.604 38.000 -0.011 0.000 1.065 317 I HN 0.158 nan 8.210 nan 0.000 0.418 318 L N 0.402 121.608 121.223 -0.029 0.000 2.093 318 L HA -0.133 4.207 4.340 -0.001 0.000 0.208 318 L C 2.475 179.276 176.870 -0.116 0.000 1.085 318 L CA 1.693 56.525 54.840 -0.013 0.000 0.755 318 L CB -0.669 41.348 42.059 -0.070 0.000 0.904 318 L HN 0.288 nan 8.230 nan 0.000 0.435 319 G N -1.027 107.607 108.800 -0.276 0.000 2.402 319 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.216 319 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.216 319 G C 1.470 176.343 174.900 -0.045 0.000 1.162 319 G CA 0.606 45.375 45.100 -0.552 0.000 0.777 319 G HN 0.526 nan 8.290 nan 0.000 0.539 320 G N 0.980 109.895 108.800 0.192 0.000 2.418 320 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.217 320 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.217 320 G C 1.772 176.764 174.900 0.155 0.000 1.158 320 G CA 0.806 46.084 45.100 0.297 0.000 0.771 320 G HN 0.438 nan 8.290 nan 0.000 0.545 321 I N 0.332 120.959 120.570 0.094 0.000 2.179 321 I HA -0.110 4.059 4.170 -0.001 0.000 0.242 321 I C 2.623 178.784 176.117 0.075 0.000 1.088 321 I CA 0.781 62.124 61.300 0.071 0.000 1.357 321 I CB -0.160 37.877 38.000 0.063 0.000 1.051 321 I HN 0.112 nan 8.210 nan 0.000 0.409 322 L N -0.053 121.209 121.223 0.066 0.000 2.275 322 L HA -0.143 4.196 4.340 -0.001 0.000 0.215 322 L C 1.933 178.904 176.870 0.169 0.000 1.119 322 L CA 0.983 55.893 54.840 0.117 0.000 0.790 322 L CB -0.233 41.908 42.059 0.137 0.000 0.919 322 L HN 0.308 nan 8.230 nan 0.000 0.443 323 L N -1.362 119.937 121.223 0.127 0.000 2.766 323 L HA 0.173 4.513 4.340 -0.001 0.000 0.242 323 L C 0.361 177.312 176.870 0.135 0.000 1.136 323 L CA -0.168 54.760 54.840 0.146 0.000 0.933 323 L CB 0.066 42.232 42.059 0.178 0.000 1.241 323 L HN 0.260 nan 8.230 nan 0.000 0.522 324 N N 1.988 120.757 118.700 0.115 0.000 2.738 324 N HA -0.157 4.583 4.740 -0.001 0.000 0.249 324 N C -0.463 175.091 175.510 0.074 0.000 1.047 324 N CA 0.826 53.926 53.050 0.082 0.000 0.707 324 N CB -0.378 38.148 38.487 0.064 0.000 0.937 324 N HN 0.380 nan 8.380 nan 0.000 0.545 325 E N 0.738 121.001 120.200 0.105 0.000 2.149 325 E HA 0.106 4.455 4.350 -0.001 0.000 0.255 325 E C 0.901 177.516 176.600 0.025 0.000 0.888 325 E CA -0.446 55.975 56.400 0.035 0.000 0.742 325 E CB 1.614 31.320 29.700 0.010 0.000 1.164 325 E HN 0.244 nan 8.360 nan 0.000 0.422 326 Q N 2.825 122.621 119.800 -0.006 0.000 2.181 326 Q HA -0.207 4.132 4.340 -0.001 0.000 0.205 326 Q C 1.754 177.751 176.000 -0.005 0.000 0.980 326 Q CA 1.703 57.510 55.803 0.007 0.000 0.862 326 Q CB 0.119 28.854 28.738 -0.005 0.000 0.905 326 Q HN 0.261 nan 8.270 nan 0.000 0.429 327 K N -0.623 119.716 120.400 -0.101 0.000 2.034 327 K HA -0.219 4.101 4.320 -0.001 0.000 0.214 327 K C 1.743 178.332 176.600 -0.018 0.000 1.051 327 K CA 2.130 58.327 56.287 -0.151 0.000 0.931 327 K CB -0.654 31.628 32.500 -0.365 0.000 0.715 327 K HN 0.482 nan 8.250 nan 0.000 0.446 328 Y N 0.028 120.426 120.300 0.164 0.000 2.224 328 Y HA -0.133 4.417 4.550 -0.001 0.000 0.289 328 Y C 2.151 178.216 175.900 0.275 0.000 1.146 328 Y CA 0.944 59.230 58.100 0.311 0.000 1.182 328 Y CB -0.131 38.548 38.460 0.364 0.000 0.983 328 Y HN 0.030 nan 8.280 nan 0.000 0.524 329 I N -0.062 120.682 120.570 0.290 0.000 2.252 329 I HA -0.287 3.882 4.170 -0.001 0.000 0.245 329 I C 1.684 177.857 176.117 0.094 0.000 1.102 329 I CA 1.225 62.620 61.300 0.158 0.000 1.385 329 I CB -0.381 37.670 38.000 0.085 0.000 1.064 329 I HN 0.239 nan 8.210 nan 0.000 0.414 330 D N 0.680 121.136 120.400 0.092 0.000 2.117 330 D HA -0.208 4.431 4.640 -0.001 0.000 0.197 330 D C 1.960 178.290 176.300 0.050 0.000 0.987 330 D CA 1.332 55.365 54.000 0.056 0.000 0.829 330 D CB -0.360 40.468 40.800 0.047 0.000 0.961 330 D HN 0.278 nan 8.370 nan 0.000 0.460 331 F N 1.363 121.271 119.950 -0.070 0.000 2.146 331 F HA -0.045 4.482 4.527 -0.001 0.000 0.298 331 F C 2.282 177.928 175.800 -0.256 0.000 1.096 331 F CA 1.663 59.547 58.000 -0.194 0.000 1.275 331 F CB -0.151 38.684 39.000 -0.276 0.000 1.008 331 F HN -0.035 nan 8.300 nan 0.000 0.480 332 G N 0.884 109.645 108.800 -0.065 0.000 2.422 332 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.218 332 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.218 332 G C 1.602 176.359 174.900 -0.238 0.000 1.146 332 G CA 0.983 45.990 45.100 -0.155 0.000 0.769 332 G HN 0.315 nan 8.290 nan 0.000 0.547 333 I N 1.078 121.539 120.570 -0.181 0.000 2.179 333 I HA -0.124 4.046 4.170 -0.001 0.000 0.242 333 I C 2.613 178.673 176.117 -0.095 0.000 1.088 333 I CA 1.315 62.510 61.300 -0.174 0.000 1.357 333 I CB -0.972 37.000 38.000 -0.046 0.000 1.051 333 I HN 0.215 nan 8.210 nan 0.000 0.409 334 K N 0.148 120.446 120.400 -0.169 0.000 2.103 334 K HA -0.180 4.139 4.320 -0.001 0.000 0.207 334 K C 2.019 178.464 176.600 -0.257 0.000 1.048 334 K CA 1.103 57.265 56.287 -0.207 0.000 0.930 334 K CB -0.212 32.104 32.500 -0.308 0.000 0.716 334 K HN 0.102 nan 8.250 nan 0.000 0.444 335 L N 0.474 121.466 121.223 -0.386 0.000 2.156 335 L HA -0.070 4.269 4.340 -0.001 0.000 0.208 335 L C 2.248 179.124 176.870 0.010 0.000 1.095 335 L CA 1.464 56.160 54.840 -0.240 0.000 0.770 335 L CB -0.780 40.997 42.059 -0.471 0.000 0.914 335 L HN 0.131 nan 8.230 nan 0.000 0.439 336 A N -0.952 121.827 122.820 -0.068 0.000 1.898 336 A HA -0.172 4.147 4.320 -0.001 0.000 0.216 336 A C 2.479 180.198 177.584 0.226 0.000 1.181 336 A CA 1.845 53.894 52.037 0.019 0.000 0.620 336 A CB -0.703 18.194 19.000 -0.172 0.000 0.819 336 A HN 0.515 nan 8.150 nan 0.000 0.442 337 S N -0.529 115.323 115.700 0.254 0.000 2.395 337 S HA -0.080 4.389 4.470 -0.001 0.000 0.225 337 S C 2.044 176.751 174.600 0.178 0.000 1.027 337 S CA 1.293 59.668 58.200 0.292 0.000 0.965 337 S CB -0.598 62.737 63.200 0.225 0.000 0.812 337 S HN 0.417 nan 8.310 nan 0.000 0.482 338 S N 1.231 116.942 115.700 0.019 0.000 2.356 338 S HA -0.039 4.430 4.470 -0.001 0.000 0.223 338 S C 1.620 176.235 174.600 0.026 0.000 1.032 338 S CA 1.458 59.549 58.200 -0.182 0.000 1.005 338 S CB -0.667 62.210 63.200 -0.538 0.000 0.867 338 S HN 0.617 nan 8.310 nan 0.000 0.449 339 Y N 0.243 120.643 120.300 0.165 0.000 2.352 339 Y HA -0.014 4.536 4.550 -0.001 0.000 0.292 339 Y C 2.011 177.976 175.900 0.109 0.000 1.136 339 Y CA 0.675 58.883 58.100 0.179 0.000 1.227 339 Y CB -0.420 38.114 38.460 0.123 0.000 0.991 339 Y HN 0.312 nan 8.280 nan 0.000 0.545 340 F N 0.126 120.156 119.950 0.135 0.000 2.365 340 F HA 0.032 4.559 4.527 -0.001 0.000 0.300 340 F C 2.174 178.038 175.800 0.108 0.000 1.090 340 F CA 1.115 59.155 58.000 0.066 0.000 1.408 340 F CB -0.595 38.429 39.000 0.039 0.000 1.060 340 F HN -0.049 nan 8.300 nan 0.000 0.534 341 G N -0.706 108.064 108.800 -0.051 0.000 2.448 341 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.219 341 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.219 341 G C 1.578 176.403 174.900 -0.126 0.000 1.127 341 G CA 1.245 46.276 45.100 -0.114 0.000 0.766 341 G HN 0.464 nan 8.290 nan 0.000 0.552 342 T N -3.639 110.753 114.554 -0.269 0.000 3.148 342 T HA 0.145 4.495 4.350 -0.001 0.000 0.253 342 T C 1.767 176.365 174.700 -0.170 0.000 1.134 342 T CA 0.305 62.108 62.100 -0.494 0.000 1.051 342 T CB -0.240 67.863 68.868 -1.275 0.000 0.959 342 T HN 0.353 nan 8.240 nan 0.000 0.525 343 Y N 0.828 120.923 120.300 -0.341 0.000 2.284 343 Y HA 0.190 4.739 4.550 -0.001 0.000 0.293 343 Y C 3.007 178.708 175.900 -0.331 0.000 1.140 343 Y CA 1.038 58.941 58.100 -0.329 0.000 1.153 343 Y CB -0.036 38.150 38.460 -0.456 0.000 1.114 343 Y HN 0.214 nan 8.280 nan 0.000 0.521 344 T N -0.189 114.134 114.554 -0.386 0.000 3.163 344 T HA -0.086 4.264 4.350 -0.001 0.000 0.260 344 T C 1.063 175.729 174.700 -0.057 0.000 1.156 344 T CA 1.032 62.990 62.100 -0.236 0.000 1.072 344 T CB -0.150 68.535 68.868 -0.306 0.000 0.937 344 T HN 0.414 nan 8.240 nan 0.000 0.528 345 Q N 0.798 120.610 119.800 0.021 0.000 2.217 345 Q HA 0.153 4.493 4.340 -0.001 0.000 0.217 345 Q C 0.636 176.787 176.000 0.251 0.000 0.844 345 Q CA -0.066 55.812 55.803 0.124 0.000 0.957 345 Q CB 0.998 29.823 28.738 0.144 0.000 1.127 345 Q HN 0.556 nan 8.270 nan 0.000 0.503 346 T N -3.426 111.230 114.554 0.170 0.000 2.918 346 T HA 0.532 4.881 4.350 -0.001 0.000 0.283 346 T C 1.206 175.935 174.700 0.050 0.000 1.001 346 T CA -0.128 62.042 62.100 0.116 0.000 1.041 346 T CB 1.751 70.634 68.868 0.025 0.000 1.028 346 T HN 0.050 nan 8.240 nan 0.000 0.511 347 A N 1.360 124.191 122.820 0.017 0.000 2.024 347 A HA -0.032 4.288 4.320 -0.001 0.000 0.220 347 A C 2.465 180.047 177.584 -0.003 0.000 1.164 347 A CA 1.918 53.962 52.037 0.010 0.000 0.643 347 A CB -1.205 17.791 19.000 -0.007 0.000 0.806 347 A HN 1.149 nan 8.150 nan 0.000 0.451 348 S N -2.726 112.959 115.700 -0.024 0.000 2.503 348 S HA 0.390 4.859 4.470 -0.001 0.000 0.217 348 S C 1.453 176.028 174.600 -0.041 0.000 0.999 348 S CA 1.102 59.282 58.200 -0.034 0.000 0.914 348 S CB -0.056 63.111 63.200 -0.054 0.000 0.782 348 S HN 1.902 nan 8.310 nan 0.000 0.520 349 G N 0.980 109.753 108.800 -0.046 0.000 2.141 349 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.242 349 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.242 349 G C -0.080 174.761 174.900 -0.100 0.000 0.982 349 G CA 0.294 45.377 45.100 -0.029 0.000 0.662 349 G HN 0.587 nan 8.290 nan 0.000 0.527 350 I N 0.588 120.987 120.570 -0.285 0.000 2.603 350 I HA 0.624 4.793 4.170 -0.001 0.000 0.300 350 I C 1.054 176.696 176.117 -0.792 0.000 1.017 350 I CA -0.799 60.069 61.300 -0.719 0.000 1.098 350 I CB 1.989 39.619 38.000 -0.616 0.000 1.279 350 I HN 0.109 nan 8.210 nan 0.000 0.437 351 G N 4.286 112.260 108.800 -1.375 0.000 2.476 351 G HA2 0.505 4.464 3.960 -0.001 0.000 0.269 351 G HA3 0.505 4.464 3.960 -0.001 0.000 0.269 351 G C -2.646 172.183 174.900 -0.117 0.000 1.195 351 G CA -0.996 43.766 45.100 -0.563 0.000 0.843 351 G HN 0.330 nan 8.290 nan 0.000 0.545 352 P HA 0.196 nan 4.420 nan 0.000 0.279 352 P C 0.432 177.827 177.300 0.158 0.000 1.252 352 P CA -0.416 62.730 63.100 0.077 0.000 0.811 352 P CB 2.144 33.909 31.700 0.108 0.000 1.035 353 E N 0.748 120.927 120.200 -0.036 0.000 2.110 353 E HA -0.033 4.316 4.350 -0.001 0.000 0.193 353 E C 0.947 177.561 176.600 0.023 0.000 0.988 353 E CA 1.147 57.505 56.400 -0.070 0.000 0.804 353 E CB -0.266 29.113 29.700 -0.536 0.000 0.745 353 E HN 0.701 nan 8.360 nan 0.000 0.458 354 G N -0.178 108.619 108.800 -0.005 0.000 2.667 354 G HA2 0.511 4.471 3.960 -0.001 0.000 0.298 354 G HA3 0.511 4.471 3.960 -0.001 0.000 0.298 354 G C -1.150 173.807 174.900 0.094 0.000 1.377 354 G CA -0.592 44.498 45.100 -0.017 0.000 0.964 354 G HN 0.078 nan 8.290 nan 0.000 0.493 355 F N -0.740 119.166 119.950 -0.074 0.000 2.779 355 F HA 0.936 5.462 4.527 -0.001 0.000 0.316 355 F C -0.355 175.321 175.800 -0.208 0.000 1.164 355 F CA -1.224 56.718 58.000 -0.097 0.000 0.924 355 F CB 1.264 40.196 39.000 -0.113 0.000 1.348 355 F HN 1.033 nan 8.300 nan 0.000 0.467 356 A N -0.037 122.639 122.820 -0.240 0.000 2.568 356 A HA 0.918 5.237 4.320 -0.001 0.000 0.291 356 A C -2.100 175.023 177.584 -0.769 0.000 1.159 356 A CA -0.263 51.358 52.037 -0.692 0.000 0.679 356 A CB 1.153 19.522 19.000 -1.052 0.000 1.285 356 A HN 1.650 nan 8.150 nan 0.000 0.428 357 W N -2.130 118.625 121.300 -0.908 0.000 2.803 357 W HA 0.670 5.329 4.660 -0.001 0.000 0.424 357 W C -2.141 174.346 176.519 -0.054 0.000 1.092 357 W CA -0.932 56.157 57.345 -0.427 0.000 1.184 357 W CB 0.537 30.152 29.460 0.258 0.000 1.470 357 W HN 0.531 nan 8.180 nan 0.000 0.598 358 V N 1.815 121.999 119.914 0.449 0.000 2.384 358 V HA 0.178 4.297 4.120 -0.001 0.000 0.287 358 V C -0.627 175.756 176.094 0.481 0.000 1.020 358 V CA -0.377 62.133 62.300 0.350 0.000 0.850 358 V CB 0.986 33.053 31.823 0.406 0.000 0.987 358 V HN 0.545 nan 8.190 nan 0.000 0.436 359 D N 3.183 123.761 120.400 0.297 0.000 2.434 359 D HA 0.028 4.668 4.640 -0.001 0.000 0.252 359 D C 1.500 177.981 176.300 0.302 0.000 1.185 359 D CA 0.733 54.949 54.000 0.360 0.000 0.886 359 D CB 1.200 42.138 40.800 0.229 0.000 1.148 359 D HN 0.693 nan 8.370 nan 0.000 0.483 360 S N 2.024 117.912 115.700 0.314 0.000 2.419 360 S HA -0.164 4.306 4.470 -0.001 0.000 0.233 360 S C 1.578 176.283 174.600 0.174 0.000 1.016 360 S CA 0.929 59.268 58.200 0.232 0.000 0.974 360 S CB -0.089 63.241 63.200 0.216 0.000 0.786 360 S HN 0.378 nan 8.310 nan 0.000 0.492 361 V N 1.454 121.471 119.914 0.171 0.000 2.403 361 V HA -0.028 4.091 4.120 -0.001 0.000 0.239 361 V C 2.783 178.948 176.094 0.119 0.000 1.041 361 V CA 1.847 64.225 62.300 0.130 0.000 1.051 361 V CB -1.140 30.755 31.823 0.121 0.000 0.704 361 V HN 0.523 nan 8.190 nan 0.000 0.472 362 T N -0.244 114.387 114.554 0.128 0.000 2.857 362 T HA 0.131 4.481 4.350 -0.001 0.000 0.266 362 T C 1.567 176.331 174.700 0.107 0.000 1.048 362 T CA 1.439 63.606 62.100 0.112 0.000 1.139 362 T CB -0.164 68.773 68.868 0.115 0.000 0.874 362 T HN 0.819 nan 8.240 nan 0.000 0.455 363 G N 1.447 110.324 108.800 0.128 0.000 2.176 363 G HA2 -0.109 3.850 3.960 -0.001 0.000 0.253 363 G HA3 -0.109 3.850 3.960 -0.001 0.000 0.253 363 G C 0.313 175.276 174.900 0.106 0.000 0.979 363 G CA -0.011 45.162 45.100 0.123 0.000 0.641 363 G HN 0.935 nan 8.290 nan 0.000 0.530 364 A N -0.335 122.541 122.820 0.092 0.000 2.531 364 A HA 0.613 4.933 4.320 -0.001 0.000 0.236 364 A C 2.055 179.660 177.584 0.035 0.000 1.062 364 A CA 2.277 54.348 52.037 0.056 0.000 0.760 364 A CB 0.005 19.031 19.000 0.043 0.000 0.995 364 A HN 2.414 nan 8.150 nan 0.000 0.501 365 G N 0.386 109.203 108.800 0.029 0.000 2.232 365 G HA2 0.139 4.098 3.960 -0.001 0.000 0.226 365 G HA3 0.139 4.098 3.960 -0.001 0.000 0.226 365 G C 1.691 176.658 174.900 0.111 0.000 0.996 365 G CA 0.904 46.042 45.100 0.063 0.000 0.626 365 G HN 2.783 nan 8.290 nan 0.000 0.509 366 G N -0.617 108.230 108.800 0.078 0.000 5.059 366 G HA2 -0.046 3.914 3.960 -0.001 0.000 0.336 366 G HA3 -0.046 3.914 3.960 -0.001 0.000 0.336 366 G C 0.464 175.385 174.900 0.034 0.000 1.364 366 G CA 1.592 46.721 45.100 0.049 0.000 1.020 366 G HN 2.161 nan 8.290 nan 0.000 0.807 367 S N 1.572 117.245 115.700 -0.045 0.000 2.565 367 S HA 0.682 5.152 4.470 -0.001 0.000 0.269 367 S C -2.946 171.322 174.600 -0.554 0.000 1.153 367 S CA -0.185 57.914 58.200 -0.168 0.000 0.835 367 S CB 2.941 66.066 63.200 -0.125 0.000 1.122 367 S HN 0.756 nan 8.310 nan 0.000 0.462 368 P HA 0.389 nan 4.420 nan 0.000 0.276 368 P C -2.830 173.916 177.300 -0.924 0.000 1.261 368 P CA -1.400 60.672 63.100 -1.715 0.000 0.800 368 P CB -0.775 30.233 31.700 -1.152 0.000 1.066 369 P HA -0.003 nan 4.420 nan 0.000 0.271 369 P C 1.156 178.289 177.300 -0.278 0.000 1.216 369 P CA 0.056 62.894 63.100 -0.436 0.000 0.776 369 P CB 0.604 32.101 31.700 -0.338 0.000 0.881 370 S N 2.909 118.506 115.700 -0.172 0.000 2.372 370 S HA -0.204 4.266 4.470 -0.001 0.000 0.227 370 S C 1.904 176.462 174.600 -0.070 0.000 1.044 370 S CA 2.322 60.461 58.200 -0.102 0.000 1.050 370 S CB -1.003 62.155 63.200 -0.070 0.000 0.901 370 S HN 0.673 nan 8.310 nan 0.000 0.447 371 S N 0.013 115.672 115.700 -0.068 0.000 2.465 371 S HA -0.044 4.425 4.470 -0.001 0.000 0.241 371 S C 1.370 175.960 174.600 -0.016 0.000 1.000 371 S CA 0.932 59.110 58.200 -0.037 0.000 0.964 371 S CB -0.369 62.809 63.200 -0.035 0.000 0.763 371 S HN 0.774 nan 8.310 nan 0.000 0.512 372 Q N 0.512 120.295 119.800 -0.028 0.000 2.118 372 Q HA 0.226 4.565 4.340 -0.001 0.000 0.219 372 Q C 1.567 177.638 176.000 0.118 0.000 0.794 372 Q CA 0.385 56.226 55.803 0.064 0.000 1.035 372 Q CB 0.738 29.531 28.738 0.091 0.000 1.177 372 Q HN 0.725 nan 8.270 nan 0.000 0.478 373 S N -0.239 115.485 115.700 0.040 0.000 2.370 373 S HA -0.170 4.299 4.470 -0.001 0.000 0.226 373 S C 1.909 176.592 174.600 0.140 0.000 1.033 373 S CA 1.409 59.659 58.200 0.083 0.000 1.011 373 S CB -0.611 62.604 63.200 0.024 0.000 0.852 373 S HN 0.463 nan 8.310 nan 0.000 0.457 374 G N 0.878 109.741 108.800 0.105 0.000 2.433 374 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.216 374 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.216 374 G C 1.221 176.180 174.900 0.098 0.000 1.186 374 G CA 0.781 45.931 45.100 0.084 0.000 0.779 374 G HN 0.528 nan 8.290 nan 0.000 0.543 375 F N 0.100 120.055 119.950 0.009 0.000 2.126 375 F HA -0.127 4.400 4.527 -0.001 0.000 0.299 375 F C 2.340 178.126 175.800 -0.023 0.000 1.096 375 F CA 1.721 59.703 58.000 -0.031 0.000 1.255 375 F CB -0.178 38.793 39.000 -0.047 0.000 0.997 375 F HN 0.205 nan 8.300 nan 0.000 0.479 376 Y N 1.261 121.581 120.300 0.033 0.000 2.181 376 Y HA -0.197 4.353 4.550 -0.001 0.000 0.288 376 Y C 2.819 178.689 175.900 -0.051 0.000 1.146 376 Y CA 1.530 59.643 58.100 0.021 0.000 1.164 376 Y CB -1.067 37.551 38.460 0.263 0.000 0.982 376 Y HN 0.191 nan 8.280 nan 0.000 0.515 377 S N -1.002 114.608 115.700 -0.151 0.000 2.420 377 S HA -0.206 4.263 4.470 -0.001 0.000 0.237 377 S C 1.905 176.332 174.600 -0.289 0.000 1.023 377 S CA 1.603 59.666 58.200 -0.229 0.000 0.991 377 S CB -0.962 62.194 63.200 -0.073 0.000 0.792 377 S HN 0.597 nan 8.310 nan 0.000 0.488 378 S N 0.407 115.912 115.700 -0.325 0.000 2.539 378 S HA 0.579 5.048 4.470 -0.001 0.000 0.226 378 S C 1.841 176.199 174.600 -0.403 0.000 1.054 378 S CA 0.142 58.153 58.200 -0.315 0.000 0.910 378 S CB -0.261 62.785 63.200 -0.257 0.000 0.818 378 S HN 0.659 nan 8.310 nan 0.000 0.490 379 A N 1.342 123.782 122.820 -0.632 0.000 1.984 379 A HA 0.596 4.915 4.320 -0.001 0.000 0.214 379 A C 1.844 179.258 177.584 -0.283 0.000 1.173 379 A CA 0.779 52.426 52.037 -0.651 0.000 0.673 379 A CB -0.962 17.115 19.000 -1.538 0.000 0.830 379 A HN 1.570 nan 8.150 nan 0.000 0.453 380 G N -1.827 106.790 108.800 -0.305 0.000 2.132 380 G HA2 -0.103 3.856 3.960 -0.001 0.000 0.234 380 G HA3 -0.103 3.856 3.960 -0.001 0.000 0.234 380 G C 0.040 175.283 174.900 0.571 0.000 0.989 380 G CA 0.456 45.536 45.100 -0.033 0.000 0.676 380 G HN 1.841 nan 8.290 nan 0.000 0.522 381 F N -3.226 117.065 119.950 0.569 0.000 2.842 381 F HA 0.679 5.205 4.527 -0.001 0.000 0.319 381 F C -1.120 175.155 175.800 0.791 0.000 1.159 381 F CA -1.997 56.388 58.000 0.642 0.000 0.902 381 F CB 0.174 39.294 39.000 0.200 0.000 1.311 381 F HN 0.599 nan 8.300 nan 0.000 0.453 382 W N 1.119 122.794 121.300 0.624 0.000 2.950 382 W HA 0.831 5.491 4.660 -0.001 0.000 0.340 382 W C -2.273 174.534 176.519 0.481 0.000 1.139 382 W CA -1.848 55.730 57.345 0.389 0.000 1.188 382 W CB 0.903 30.486 29.460 0.205 0.000 1.426 382 W HN 0.444 nan 8.180 nan 0.000 0.531 383 V N 2.833 123.054 119.914 0.513 0.000 2.461 383 V HA 0.250 4.369 4.120 -0.001 0.000 0.275 383 V C 0.949 177.230 176.094 0.311 0.000 1.047 383 V CA 0.386 62.903 62.300 0.361 0.000 0.955 383 V CB 0.988 32.925 31.823 0.191 0.000 0.988 383 V HN 0.856 nan 8.190 nan 0.000 0.471 384 T N 0.717 115.403 114.554 0.220 0.000 2.990 384 T HA 0.439 4.789 4.350 -0.001 0.000 0.249 384 T C 0.502 175.255 174.700 0.090 0.000 1.039 384 T CA 0.516 62.718 62.100 0.170 0.000 1.036 384 T CB 0.516 69.456 68.868 0.121 0.000 0.994 384 T HN 0.883 nan 8.240 nan 0.000 0.489 385 A N 2.627 125.464 122.820 0.029 0.000 2.499 385 A HA 0.662 4.982 4.320 -0.001 0.000 0.280 385 A C -2.335 175.151 177.584 -0.164 0.000 1.135 385 A CA -1.409 50.567 52.037 -0.101 0.000 0.744 385 A CB 1.508 20.360 19.000 -0.246 0.000 1.213 385 A HN 0.072 nan 8.150 nan 0.000 0.434 386 P HA -0.007 nan 4.420 nan 0.000 0.235 386 P C 0.289 177.594 177.300 0.008 0.000 1.177 386 P CA 0.639 63.732 63.100 -0.013 0.000 0.785 386 P CB -0.280 31.446 31.700 0.044 0.000 0.885 387 Y N 0.031 120.378 120.300 0.078 0.000 2.330 387 Y HA 0.432 4.981 4.550 -0.001 0.000 0.341 387 Y C -0.396 175.583 175.900 0.132 0.000 1.278 387 Y CA -1.498 56.649 58.100 0.078 0.000 1.453 387 Y CB -0.214 38.270 38.460 0.040 0.000 1.342 387 Y HN -0.134 nan 8.280 nan 0.000 0.590 388 Y N 3.672 124.096 120.300 0.206 0.000 2.361 388 Y HA 0.415 4.965 4.550 -0.001 0.000 0.328 388 Y C -0.520 175.448 175.900 0.115 0.000 1.044 388 Y CA -1.509 56.644 58.100 0.087 0.000 1.085 388 Y CB 1.325 39.782 38.460 -0.004 0.000 1.194 388 Y HN 0.756 nan 8.280 nan 0.000 0.438 389 I N 5.043 125.305 120.570 -0.513 0.000 3.517 389 I HA 0.317 4.487 4.170 -0.001 0.000 0.346 389 I C -0.410 175.464 176.117 -0.406 0.000 1.510 389 I CA -0.464 60.634 61.300 -0.337 0.000 1.090 389 I CB -0.032 37.957 38.000 -0.017 0.000 1.506 389 I HN 0.808 nan 8.210 nan 0.000 0.477 390 L N -0.013 120.571 121.223 -1.065 0.000 3.717 390 L HA -0.198 4.141 4.340 -0.001 0.000 0.411 390 L C 0.381 177.356 176.870 0.175 0.000 1.233 390 L CA 0.554 55.198 54.840 -0.325 0.000 0.917 390 L CB -1.852 40.141 42.059 -0.110 0.000 1.902 390 L HN 0.608 nan 8.230 nan 0.000 0.894 391 R N 1.551 121.937 120.500 -0.189 0.000 2.641 391 R HA 0.193 4.533 4.340 -0.001 0.000 0.269 391 R C -1.103 175.424 176.300 0.379 0.000 1.074 391 R CA -0.790 55.296 56.100 -0.023 0.000 1.133 391 R CB 0.583 30.719 30.300 -0.274 0.000 1.029 391 R HN 0.036 nan 8.270 nan 0.000 0.488 392 P HA 0.038 nan 4.420 nan 0.000 0.268 392 P C -0.007 177.502 177.300 0.350 0.000 1.248 392 P CA 0.285 63.622 63.100 0.394 0.000 0.851 392 P CB 0.537 32.452 31.700 0.358 0.000 1.238 393 E N 0.845 121.260 120.200 0.359 0.000 2.132 393 E HA -0.200 4.149 4.350 -0.001 0.000 0.218 393 E C 1.714 178.394 176.600 0.134 0.000 1.058 393 E CA 1.954 58.512 56.400 0.263 0.000 0.882 393 E CB -1.986 27.920 29.700 0.343 0.000 0.774 393 E HN 0.248 nan 8.360 nan 0.000 0.467 394 T N 1.823 116.446 114.554 0.115 0.000 2.821 394 T HA -0.020 4.330 4.350 -0.001 0.000 0.267 394 T C 2.164 176.860 174.700 -0.008 0.000 1.046 394 T CA 0.738 62.825 62.100 -0.022 0.000 1.139 394 T CB -0.207 68.528 68.868 -0.222 0.000 0.871 394 T HN 0.070 nan 8.240 nan 0.000 0.454 395 L N 0.697 121.967 121.223 0.078 0.000 2.141 395 L HA -0.051 4.289 4.340 -0.001 0.000 0.209 395 L C 2.736 179.612 176.870 0.010 0.000 1.094 395 L CA 1.209 56.098 54.840 0.081 0.000 0.763 395 L CB -0.402 41.770 42.059 0.189 0.000 0.908 395 L HN 0.346 nan 8.230 nan 0.000 0.437 396 E N -0.159 119.983 120.200 -0.095 0.000 2.047 396 E HA -0.188 4.162 4.350 -0.001 0.000 0.191 396 E C 2.220 178.771 176.600 -0.081 0.000 0.987 396 E CA 1.450 57.586 56.400 -0.441 0.000 0.799 396 E CB 0.143 29.556 29.700 -0.477 0.000 0.752 396 E HN 0.325 nan 8.360 nan 0.000 0.449 397 S N 0.562 116.237 115.700 -0.042 0.000 2.383 397 S HA -0.054 4.416 4.470 -0.001 0.000 0.227 397 S C 1.938 176.500 174.600 -0.064 0.000 1.026 397 S CA 0.608 58.780 58.200 -0.047 0.000 0.981 397 S CB -0.123 63.010 63.200 -0.112 0.000 0.818 397 S HN 0.259 nan 8.310 nan 0.000 0.472 398 L N -0.062 121.140 121.223 -0.035 0.000 2.083 398 L HA -0.135 4.204 4.340 -0.001 0.000 0.209 398 L C 2.287 179.142 176.870 -0.026 0.000 1.083 398 L CA 1.503 56.331 54.840 -0.019 0.000 0.752 398 L CB -0.584 41.489 42.059 0.024 0.000 0.899 398 L HN 0.388 nan 8.230 nan 0.000 0.433 399 Y N -0.318 119.916 120.300 -0.109 0.000 2.145 399 Y HA -0.339 4.211 4.550 -0.001 0.000 0.286 399 Y C 2.489 178.305 175.900 -0.139 0.000 1.145 399 Y CA 1.702 59.724 58.100 -0.131 0.000 1.148 399 Y CB -0.413 37.922 38.460 -0.208 0.000 0.981 399 Y HN -0.006 nan 8.280 nan 0.000 0.507 400 Y N 0.018 120.105 120.300 -0.355 0.000 2.224 400 Y HA -0.205 4.344 4.550 -0.001 0.000 0.289 400 Y C 2.669 178.295 175.900 -0.457 0.000 1.146 400 Y CA 1.371 59.227 58.100 -0.407 0.000 1.182 400 Y CB -0.867 37.461 38.460 -0.221 0.000 0.983 400 Y HN 0.296 nan 8.280 nan 0.000 0.524 401 A N -0.776 121.806 122.820 -0.396 0.000 1.902 401 A HA -0.272 4.048 4.320 -0.001 0.000 0.217 401 A C 2.069 179.160 177.584 -0.820 0.000 1.181 401 A CA 1.798 53.327 52.037 -0.848 0.000 0.623 401 A CB -1.298 16.731 19.000 -1.617 0.000 0.818 401 A HN 0.649 nan 8.150 nan 0.000 0.443 402 Y N -0.099 119.847 120.300 -0.591 0.000 2.220 402 Y HA -0.127 4.423 4.550 -0.001 0.000 0.291 402 Y C 2.521 178.259 175.900 -0.270 0.000 1.129 402 Y CA 1.566 59.513 58.100 -0.254 0.000 1.161 402 Y CB -0.078 38.324 38.460 -0.097 0.000 0.997 402 Y HN 0.118 nan 8.280 nan 0.000 0.522 403 R N -0.160 120.030 120.500 -0.517 0.000 2.105 403 R HA -0.153 4.186 4.340 -0.001 0.000 0.239 403 R C 2.259 178.324 176.300 -0.392 0.000 1.135 403 R CA 1.394 57.170 56.100 -0.540 0.000 0.967 403 R CB -1.048 28.865 30.300 -0.645 0.000 0.861 403 R HN 0.415 nan 8.270 nan 0.000 0.442 404 V N 0.877 120.597 119.914 -0.324 0.000 3.052 404 V HA -0.096 4.023 4.120 -0.001 0.000 0.254 404 V C 1.941 177.923 176.094 -0.187 0.000 1.100 404 V CA 2.045 64.221 62.300 -0.208 0.000 1.112 404 V CB 0.025 31.761 31.823 -0.147 0.000 0.738 404 V HN 0.539 nan 8.190 nan 0.000 0.469 405 T N -4.338 110.081 114.554 -0.225 0.000 3.000 405 T HA 0.275 4.625 4.350 -0.001 0.000 0.248 405 T C 1.657 176.274 174.700 -0.138 0.000 1.034 405 T CA 0.924 62.960 62.100 -0.106 0.000 1.060 405 T CB 0.490 69.387 68.868 0.048 0.000 0.983 405 T HN 1.176 nan 8.240 nan 0.000 0.482 406 G N 2.020 110.607 108.800 -0.355 0.000 2.168 406 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.257 406 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.257 406 G C -0.238 174.599 174.900 -0.105 0.000 0.997 406 G CA 0.285 45.114 45.100 -0.452 0.000 0.708 406 G HN 0.794 nan 8.290 nan 0.000 0.520 407 D N 0.191 120.660 120.400 0.115 0.000 2.316 407 D HA 0.496 5.135 4.640 -0.001 0.000 0.245 407 D C 1.439 177.972 176.300 0.388 0.000 1.171 407 D CA 0.443 54.592 54.000 0.247 0.000 0.856 407 D CB 0.995 41.948 40.800 0.255 0.000 1.090 407 D HN 0.006 nan 8.370 nan 0.000 0.476 408 S N 4.024 119.881 115.700 0.263 0.000 2.441 408 S HA -0.247 4.222 4.470 -0.001 0.000 0.242 408 S C 1.703 176.336 174.600 0.055 0.000 1.018 408 S CA 1.575 59.886 58.200 0.185 0.000 0.988 408 S CB -0.228 63.025 63.200 0.089 0.000 0.778 408 S HN 0.616 nan 8.310 nan 0.000 0.498 409 K N -0.339 120.030 120.400 -0.051 0.000 2.020 409 K HA -0.189 4.131 4.320 -0.001 0.000 0.212 409 K C 1.641 178.050 176.600 -0.318 0.000 1.050 409 K CA 1.989 58.112 56.287 -0.274 0.000 0.929 409 K CB -0.489 31.693 32.500 -0.530 0.000 0.714 409 K HN 0.597 nan 8.250 nan 0.000 0.443 410 W N 1.453 122.756 121.300 0.005 0.000 2.392 410 W HA -0.095 4.565 4.660 -0.001 0.000 0.279 410 W C 2.352 178.798 176.519 -0.122 0.000 1.225 410 W CA 0.681 57.991 57.345 -0.058 0.000 1.233 410 W CB -0.141 29.340 29.460 0.034 0.000 1.122 410 W HN 0.297 nan 8.180 nan 0.000 0.561 411 Q N 0.092 119.898 119.800 0.010 0.000 2.119 411 Q HA -0.166 4.174 4.340 -0.001 0.000 0.201 411 Q C 1.593 177.711 176.000 0.197 0.000 0.972 411 Q CA 1.406 57.172 55.803 -0.061 0.000 0.847 411 Q CB -0.269 28.367 28.738 -0.169 0.000 0.903 411 Q HN 0.272 nan 8.270 nan 0.000 0.433 412 D N 0.361 120.818 120.400 0.094 0.000 2.149 412 D HA -0.111 4.529 4.640 -0.001 0.000 0.201 412 D C 1.806 178.176 176.300 0.117 0.000 0.972 412 D CA 0.730 54.812 54.000 0.137 0.000 0.835 412 D CB 0.038 40.860 40.800 0.036 0.000 0.966 412 D HN 0.107 nan 8.370 nan 0.000 0.476 413 L N 1.201 122.371 121.223 -0.090 0.000 2.046 413 L HA -0.077 4.263 4.340 -0.001 0.000 0.208 413 L C 2.423 179.166 176.870 -0.211 0.000 1.077 413 L CA 1.289 55.900 54.840 -0.381 0.000 0.747 413 L CB -0.919 40.676 42.059 -0.774 0.000 0.896 413 L HN -0.053 nan 8.230 nan 0.000 0.432 414 A N -1.567 121.240 122.820 -0.021 0.000 1.969 414 A HA -0.268 4.052 4.320 -0.001 0.000 0.218 414 A C 2.275 180.073 177.584 0.356 0.000 1.169 414 A CA 1.394 53.498 52.037 0.111 0.000 0.635 414 A CB -1.123 17.901 19.000 0.040 0.000 0.810 414 A HN 0.686 nan 8.150 nan 0.000 0.445 415 W N 0.945 122.420 121.300 0.292 0.000 2.381 415 W HA -0.163 4.497 4.660 -0.001 0.000 0.301 415 W C 1.754 178.388 176.519 0.191 0.000 1.205 415 W CA 1.697 59.208 57.345 0.277 0.000 1.285 415 W CB -0.087 29.452 29.460 0.131 0.000 1.133 415 W HN 0.539 nan 8.180 nan 0.000 0.521 416 E N 0.453 120.758 120.200 0.174 0.000 2.085 416 E HA -0.212 4.138 4.350 -0.001 0.000 0.194 416 E C 2.389 179.070 176.600 0.135 0.000 0.994 416 E CA 1.463 57.933 56.400 0.117 0.000 0.801 416 E CB -0.477 29.401 29.700 0.297 0.000 0.743 416 E HN 0.245 nan 8.360 nan 0.000 0.453 417 A N 1.885 124.853 122.820 0.247 0.000 1.858 417 A HA -0.166 4.154 4.320 -0.001 0.000 0.216 417 A C 2.186 179.883 177.584 0.188 0.000 1.190 417 A CA 0.988 53.195 52.037 0.285 0.000 0.617 417 A CB -0.653 18.452 19.000 0.176 0.000 0.827 417 A HN 0.253 nan 8.150 nan 0.000 0.443 418 L N 0.122 121.408 121.223 0.105 0.000 2.046 418 L HA -0.125 4.214 4.340 -0.001 0.000 0.208 418 L C 2.337 179.148 176.870 -0.099 0.000 1.077 418 L CA 2.650 57.524 54.840 0.057 0.000 0.747 418 L CB -1.092 41.016 42.059 0.081 0.000 0.896 418 L HN 0.387 nan 8.230 nan 0.000 0.432 419 S N 0.436 115.926 115.700 -0.349 0.000 2.356 419 S HA -0.106 4.363 4.470 -0.001 0.000 0.223 419 S C 2.150 176.689 174.600 -0.101 0.000 1.032 419 S CA 1.184 59.169 58.200 -0.359 0.000 1.005 419 S CB -0.361 62.509 63.200 -0.549 0.000 0.867 419 S HN 0.656 nan 8.310 nan 0.000 0.449 420 A N 1.624 124.425 122.820 -0.032 0.000 1.883 420 A HA -0.073 4.246 4.320 -0.001 0.000 0.217 420 A C 2.090 179.693 177.584 0.032 0.000 1.186 420 A CA 1.322 53.371 52.037 0.020 0.000 0.624 420 A CB -0.788 18.250 19.000 0.064 0.000 0.822 420 A HN 0.482 nan 8.150 nan 0.000 0.444 421 I N -0.741 119.872 120.570 0.073 0.000 2.226 421 I HA -0.255 3.915 4.170 -0.001 0.000 0.245 421 I C 2.596 178.810 176.117 0.162 0.000 1.100 421 I CA 1.565 62.927 61.300 0.104 0.000 1.374 421 I CB -0.468 37.671 38.000 0.232 0.000 1.057 421 I HN 0.448 nan 8.210 nan 0.000 0.413 422 E N 0.868 121.173 120.200 0.175 0.000 2.038 422 E HA -0.246 4.103 4.350 -0.001 0.000 0.195 422 E C 1.769 178.509 176.600 0.232 0.000 1.000 422 E CA 1.647 58.219 56.400 0.286 0.000 0.803 422 E CB -0.054 29.773 29.700 0.212 0.000 0.750 422 E HN 0.463 nan 8.360 nan 0.000 0.448 423 D N 0.043 120.512 120.400 0.114 0.000 2.123 423 D HA -0.150 4.490 4.640 -0.001 0.000 0.196 423 D C 1.670 178.004 176.300 0.056 0.000 0.992 423 D CA 1.393 55.436 54.000 0.071 0.000 0.833 423 D CB -0.199 40.623 40.800 0.037 0.000 0.954 423 D HN 0.189 nan 8.370 nan 0.000 0.455 424 A N -0.194 122.659 122.820 0.055 0.000 1.943 424 A HA -0.032 4.288 4.320 -0.001 0.000 0.213 424 A C 2.252 179.864 177.584 0.047 0.000 1.181 424 A CA 0.576 52.635 52.037 0.036 0.000 0.653 424 A CB -0.402 18.608 19.000 0.016 0.000 0.833 424 A HN 0.339 nan 8.150 nan 0.000 0.451 425 C N -0.574 118.781 119.300 0.092 0.000 2.539 425 C HA 0.227 4.686 4.460 -0.001 0.000 0.268 425 C C 1.321 176.339 174.990 0.048 0.000 1.395 425 C CA -0.407 58.663 59.018 0.087 0.000 1.757 425 C CB -1.524 26.279 27.740 0.105 0.000 1.851 425 C HN 0.506 nan 8.230 nan 0.000 0.545 426 R N 2.160 122.680 120.500 0.033 0.000 2.473 426 R HA 0.386 4.725 4.340 -0.001 0.000 0.315 426 R C -0.438 175.737 176.300 -0.208 0.000 0.972 426 R CA 0.575 56.517 56.100 -0.263 0.000 1.047 426 R CB -0.286 29.909 30.300 -0.175 0.000 0.932 426 R HN 0.457 nan 8.270 nan 0.000 0.411 427 A N 3.489 126.150 122.820 -0.265 0.000 2.547 427 A HA 0.650 4.970 4.320 -0.001 0.000 0.297 427 A C 0.377 177.862 177.584 -0.165 0.000 1.056 427 A CA -0.270 51.668 52.037 -0.166 0.000 0.688 427 A CB 1.141 20.070 19.000 -0.117 0.000 1.282 427 A HN 1.072 nan 8.150 nan 0.000 0.400 428 G N 1.378 110.101 108.800 -0.129 0.000 2.611 428 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.301 428 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.301 428 G C 1.350 176.180 174.900 -0.117 0.000 1.233 428 G CA 1.440 46.466 45.100 -0.123 0.000 0.993 428 G HN 2.308 nan 8.290 nan 0.000 0.553 429 S N 0.310 115.949 115.700 -0.103 0.000 2.603 429 S HA 0.630 5.099 4.470 -0.001 0.000 0.220 429 S C 1.083 175.686 174.600 0.004 0.000 0.967 429 S CA 1.397 59.583 58.200 -0.024 0.000 0.920 429 S CB 0.139 63.360 63.200 0.035 0.000 0.773 429 S HN 2.245 nan 8.310 nan 0.000 0.529 430 A N 0.017 122.791 122.820 -0.076 0.000 3.117 430 A HA 0.722 5.042 4.320 -0.001 0.000 0.158 430 A C -1.689 175.644 177.584 -0.418 0.000 1.138 430 A CA -0.654 51.329 52.037 -0.090 0.000 2.059 430 A CB 0.136 19.238 19.000 0.170 0.000 2.607 430 A HN 0.300 nan 8.150 nan 0.000 1.059 431 Y N -0.334 119.907 120.300 -0.097 0.000 2.545 431 Y HA 0.772 5.321 4.550 -0.001 0.000 0.348 431 Y C 0.368 176.073 175.900 -0.325 0.000 1.002 431 Y CA -0.226 57.719 58.100 -0.258 0.000 1.039 431 Y CB 2.250 40.409 38.460 -0.502 0.000 1.271 431 Y HN 0.673 nan 8.280 nan 0.000 0.467 432 S N 0.191 115.802 115.700 -0.149 0.000 2.627 432 S HA 0.693 5.162 4.470 -0.001 0.000 0.283 432 S C -0.967 173.546 174.600 -0.145 0.000 1.127 432 S CA -0.690 57.413 58.200 -0.161 0.000 0.863 432 S CB 1.005 64.134 63.200 -0.118 0.000 1.121 432 S HN 0.595 nan 8.310 nan 0.000 0.479 433 S N 1.534 117.148 115.700 -0.144 0.000 2.589 433 S HA 0.500 4.969 4.470 -0.001 0.000 0.265 433 S C 0.143 174.730 174.600 -0.023 0.000 1.342 433 S CA -0.386 57.754 58.200 -0.099 0.000 1.005 433 S CB -0.066 63.064 63.200 -0.117 0.000 0.909 433 S HN 0.669 nan 8.310 nan 0.000 0.555 434 I N -1.055 119.553 120.570 0.063 0.000 2.892 434 I HA 0.533 4.703 4.170 -0.001 0.000 0.306 434 I C 0.229 176.413 176.117 0.112 0.000 1.078 434 I CA -1.115 60.231 61.300 0.077 0.000 1.032 434 I CB 1.634 39.698 38.000 0.106 0.000 1.229 434 I HN 0.312 nan 8.210 nan 0.000 0.435 435 N N 1.044 119.791 118.700 0.079 0.000 2.251 435 N HA -0.013 4.726 4.740 -0.001 0.000 0.181 435 N C -0.330 175.260 175.510 0.134 0.000 1.019 435 N CA 1.140 54.251 53.050 0.102 0.000 0.862 435 N CB 0.120 38.635 38.487 0.047 0.000 0.992 435 N HN 0.660 nan 8.380 nan 0.000 0.429 436 D N 0.012 120.463 120.400 0.085 0.000 2.696 436 D HA 0.176 4.815 4.640 -0.001 0.000 0.251 436 D C 0.383 176.702 176.300 0.031 0.000 1.188 436 D CA -0.363 53.672 54.000 0.059 0.000 0.876 436 D CB 2.662 43.480 40.800 0.030 0.000 1.334 436 D HN -0.314 nan 8.370 nan 0.000 0.540 437 V N 2.879 122.804 119.914 0.018 0.000 2.788 437 V HA -0.111 4.009 4.120 -0.001 0.000 0.251 437 V C 2.102 178.166 176.094 -0.049 0.000 1.068 437 V CA 2.154 64.438 62.300 -0.027 0.000 1.090 437 V CB -0.020 31.776 31.823 -0.045 0.000 0.710 437 V HN 0.768 nan 8.190 nan 0.000 0.467 438 T N -1.719 112.801 114.554 -0.056 0.000 3.361 438 T HA 0.110 4.460 4.350 -0.001 0.000 0.251 438 T C 0.494 175.153 174.700 -0.069 0.000 1.131 438 T CA 0.141 62.179 62.100 -0.103 0.000 1.001 438 T CB -0.243 68.529 68.868 -0.161 0.000 1.003 438 T HN 0.480 nan 8.240 nan 0.000 0.558 439 Q N -0.466 119.311 119.800 -0.038 0.000 2.337 439 Q HA 0.652 4.991 4.340 -0.001 0.000 0.270 439 Q C 0.924 176.914 176.000 -0.016 0.000 1.043 439 Q CA -0.491 55.298 55.803 -0.023 0.000 0.794 439 Q CB 2.152 30.882 28.738 -0.013 0.000 1.281 439 Q HN 0.243 nan 8.270 nan 0.000 0.446 440 A N 3.004 125.818 122.820 -0.010 0.000 1.927 440 A HA -0.255 4.064 4.320 -0.001 0.000 0.220 440 A C 1.461 179.043 177.584 -0.003 0.000 1.185 440 A CA 2.407 54.441 52.037 -0.004 0.000 0.639 440 A CB -0.465 18.536 19.000 0.002 0.000 0.820 440 A HN 0.864 nan 8.150 nan 0.000 0.451 441 N N -1.348 117.350 118.700 -0.002 0.000 2.467 441 N HA 0.200 4.939 4.740 -0.001 0.000 0.184 441 N C 1.077 176.588 175.510 0.001 0.000 1.106 441 N CA 1.546 54.595 53.050 -0.000 0.000 0.892 441 N CB -0.169 38.317 38.487 -0.002 0.000 0.969 441 N HN 0.965 nan 8.380 nan 0.000 0.454 442 G N -0.884 107.916 108.800 0.000 0.000 2.195 442 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.224 442 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.224 442 G C 0.868 175.779 174.900 0.017 0.000 0.990 442 G CA 0.306 45.412 45.100 0.010 0.000 0.639 442 G HN 1.259 nan 8.290 nan 0.000 0.514 443 G N -0.802 108.003 108.800 0.008 0.000 2.184 443 G HA2 0.436 4.396 3.960 -0.001 0.000 0.264 443 G HA3 0.436 4.396 3.960 -0.001 0.000 0.264 443 G C 1.605 176.508 174.900 0.006 0.000 0.975 443 G CA 0.893 45.999 45.100 0.010 0.000 0.642 443 G HN 2.949 nan 8.290 nan 0.000 0.536 444 G N -1.500 107.301 108.800 0.001 0.000 2.697 444 G HA2 0.518 4.478 3.960 -0.001 0.000 0.686 444 G HA3 0.518 4.478 3.960 -0.001 0.000 0.686 444 G C 0.024 174.916 174.900 -0.013 0.000 1.179 444 G CA 0.727 45.820 45.100 -0.011 0.000 0.765 444 G HN 2.174 nan 8.290 nan 0.000 0.649 445 A N 0.628 123.429 122.820 -0.031 0.000 2.340 445 A HA 0.787 5.107 4.320 -0.001 0.000 0.268 445 A C 1.398 178.945 177.584 -0.062 0.000 1.100 445 A CA 0.745 52.755 52.037 -0.046 0.000 0.803 445 A CB 0.669 19.632 19.000 -0.062 0.000 1.043 445 A HN 2.254 nan 8.150 nan 0.000 0.488 446 S N 0.650 116.302 115.700 -0.080 0.000 2.572 446 S HA 0.247 4.716 4.470 -0.001 0.000 0.228 446 S C 0.046 174.553 174.600 -0.154 0.000 0.963 446 S CA 0.477 58.612 58.200 -0.109 0.000 0.939 446 S CB -0.359 62.770 63.200 -0.118 0.000 0.804 446 S HN 0.954 nan 8.310 nan 0.000 0.480 447 D N 1.082 121.397 120.400 -0.142 0.000 2.927 447 D HA -0.183 4.456 4.640 -0.001 0.000 0.236 447 D C -0.907 175.223 176.300 -0.283 0.000 1.163 447 D CA 1.221 55.122 54.000 -0.166 0.000 0.801 447 D CB -1.441 39.274 40.800 -0.141 0.000 0.975 447 D HN 0.676 nan 8.370 nan 0.000 0.413 448 D N 1.205 121.474 120.400 -0.219 0.000 2.787 448 D HA 0.351 4.991 4.640 -0.001 0.000 0.215 448 D C -1.284 174.936 176.300 -0.133 0.000 1.246 448 D CA -0.515 53.346 54.000 -0.230 0.000 0.798 448 D CB 0.762 41.382 40.800 -0.300 0.000 1.649 448 D HN 0.181 nan 8.370 nan 0.000 0.507 449 M N 3.284 122.860 119.600 -0.041 0.000 1.998 449 M HA 0.327 4.807 4.480 -0.001 0.000 0.289 449 M C -0.747 175.521 176.300 -0.053 0.000 0.886 449 M CA -0.564 54.690 55.300 -0.076 0.000 0.853 449 M CB 0.803 33.411 32.600 0.013 0.000 1.462 449 M HN 0.211 nan 8.290 nan 0.000 0.375 450 E N 1.248 121.308 120.200 -0.233 0.000 2.437 450 E HA -0.030 4.319 4.350 -0.001 0.000 0.263 450 E C 1.045 177.447 176.600 -0.330 0.000 1.030 450 E CA 0.570 56.700 56.400 -0.450 0.000 0.934 450 E CB 1.054 30.073 29.700 -1.136 0.000 0.943 450 E HN 0.827 nan 8.360 nan 0.000 0.444 451 S N 2.404 117.968 115.700 -0.227 0.000 2.400 451 S HA -0.222 4.247 4.470 -0.001 0.000 0.232 451 S C 1.672 176.361 174.600 0.148 0.000 1.025 451 S CA 1.443 59.673 58.200 0.050 0.000 0.993 451 S CB -0.573 62.634 63.200 0.012 0.000 0.808 451 S HN 0.540 nan 8.310 nan 0.000 0.478 452 F N -0.045 120.033 119.950 0.215 0.000 2.722 452 F HA 0.252 4.779 4.527 -0.001 0.000 0.298 452 F C 2.049 177.986 175.800 0.228 0.000 1.175 452 F CA -0.826 57.280 58.000 0.178 0.000 1.462 452 F CB -1.288 37.787 39.000 0.124 0.000 1.111 452 F HN 0.340 nan 8.300 nan 0.000 0.592 453 W N 0.633 122.009 121.300 0.127 0.000 2.418 453 W HA -0.168 4.492 4.660 -0.001 0.000 0.292 453 W C 1.061 177.572 176.519 -0.014 0.000 1.213 453 W CA 1.237 58.597 57.345 0.025 0.000 1.283 453 W CB -0.506 28.824 29.460 -0.217 0.000 1.119 453 W HN 0.108 nan 8.180 nan 0.000 0.542 454 F N 1.034 121.017 119.950 0.054 0.000 2.187 454 F HA -0.008 4.518 4.527 -0.001 0.000 0.295 454 F C 2.772 178.644 175.800 0.120 0.000 1.091 454 F CA 1.885 59.899 58.000 0.023 0.000 1.308 454 F CB -1.137 37.891 39.000 0.046 0.000 1.030 454 F HN -0.133 nan 8.300 nan 0.000 0.487 455 A N -0.475 122.524 122.820 0.297 0.000 1.970 455 A HA -0.044 4.276 4.320 -0.001 0.000 0.216 455 A C 1.850 179.388 177.584 -0.076 0.000 1.170 455 A CA 1.498 53.612 52.037 0.129 0.000 0.645 455 A CB -0.288 18.778 19.000 0.111 0.000 0.816 455 A HN 0.419 nan 8.150 nan 0.000 0.447 456 E N -1.123 119.070 120.200 -0.011 0.000 2.476 456 E HA 0.274 4.624 4.350 -0.001 0.000 0.193 456 E C 2.314 178.899 176.600 -0.026 0.000 0.966 456 E CA 0.386 56.725 56.400 -0.101 0.000 1.114 456 E CB -0.329 29.434 29.700 0.105 0.000 1.151 456 E HN 0.357 nan 8.360 nan 0.000 0.487 457 A N 2.192 125.082 122.820 0.117 0.000 1.869 457 A HA -0.203 4.117 4.320 -0.001 0.000 0.218 457 A C 2.277 179.793 177.584 -0.114 0.000 1.203 457 A CA 1.603 53.708 52.037 0.113 0.000 0.638 457 A CB -1.072 18.089 19.000 0.269 0.000 0.831 457 A HN 0.149 nan 8.150 nan 0.000 0.450 458 L N -0.910 120.082 121.223 -0.385 0.000 2.275 458 L HA -0.139 4.200 4.340 -0.001 0.000 0.215 458 L C 2.551 179.334 176.870 -0.145 0.000 1.119 458 L CA 1.596 56.243 54.840 -0.322 0.000 0.790 458 L CB -0.336 41.484 42.059 -0.397 0.000 0.919 458 L HN 0.508 nan 8.230 nan 0.000 0.443 459 K N -0.315 119.964 120.400 -0.201 0.000 2.021 459 K HA -0.154 4.166 4.320 -0.001 0.000 0.205 459 K C 2.246 178.675 176.600 -0.285 0.000 1.047 459 K CA 1.274 57.397 56.287 -0.273 0.000 0.943 459 K CB -0.139 32.099 32.500 -0.437 0.000 0.725 459 K HN 0.043 nan 8.250 nan 0.000 0.439 460 Y N 0.683 120.833 120.300 -0.249 0.000 2.242 460 Y HA -0.079 4.471 4.550 -0.001 0.000 0.291 460 Y C 2.333 178.085 175.900 -0.248 0.000 1.137 460 Y CA 1.040 58.894 58.100 -0.411 0.000 1.181 460 Y CB -0.714 37.558 38.460 -0.313 0.000 0.989 460 Y HN 0.214 nan 8.280 nan 0.000 0.527 461 A N -0.741 122.114 122.820 0.057 0.000 1.902 461 A HA -0.259 4.060 4.320 -0.001 0.000 0.217 461 A C 2.133 179.769 177.584 0.087 0.000 1.181 461 A CA 1.737 53.824 52.037 0.085 0.000 0.623 461 A CB -1.330 17.773 19.000 0.171 0.000 0.818 461 A HN 0.589 nan 8.150 nan 0.000 0.443 462 Y N -0.063 120.233 120.300 -0.008 0.000 2.133 462 Y HA -0.142 4.408 4.550 -0.001 0.000 0.287 462 Y C 1.919 177.807 175.900 -0.020 0.000 1.134 462 Y CA 1.653 59.777 58.100 0.039 0.000 1.133 462 Y CB -0.250 38.177 38.460 -0.055 0.000 0.987 462 Y HN 0.189 nan 8.280 nan 0.000 0.502 463 L N 0.600 121.744 121.223 -0.133 0.000 2.081 463 L HA -0.259 4.081 4.340 -0.001 0.000 0.212 463 L C 2.414 179.236 176.870 -0.081 0.000 1.080 463 L CA 1.603 56.340 54.840 -0.172 0.000 0.754 463 L CB -1.033 40.860 42.059 -0.277 0.000 0.893 463 L HN 0.453 nan 8.230 nan 0.000 0.433 464 I N -1.801 118.673 120.570 -0.160 0.000 2.756 464 I HA -0.280 3.890 4.170 -0.001 0.000 0.262 464 I C 1.293 177.035 176.117 -0.625 0.000 1.225 464 I CA 0.878 62.003 61.300 -0.292 0.000 1.472 464 I CB 0.063 37.777 38.000 -0.476 0.000 1.094 464 I HN 0.136 nan 8.210 nan 0.000 0.454 465 F N 0.197 120.051 119.950 -0.160 0.000 2.746 465 F HA 0.416 4.942 4.527 -0.001 0.000 0.313 465 F C 1.377 177.021 175.800 -0.261 0.000 1.095 465 F CA -0.181 57.691 58.000 -0.213 0.000 1.224 465 F CB -0.844 38.047 39.000 -0.181 0.000 1.060 465 F HN -0.119 nan 8.300 nan 0.000 0.584 466 A N 1.123 123.780 122.820 -0.272 0.000 2.310 466 A HA 0.308 4.628 4.320 -0.001 0.000 0.260 466 A C 0.629 178.159 177.584 -0.091 0.000 1.112 466 A CA -0.411 51.425 52.037 -0.334 0.000 0.804 466 A CB -0.108 18.524 19.000 -0.614 0.000 1.081 466 A HN 0.398 nan 8.150 nan 0.000 0.499 467 E N 0.509 120.685 120.200 -0.040 0.000 2.371 467 E HA 0.202 4.551 4.350 -0.001 0.000 0.257 467 E C -0.769 175.854 176.600 0.038 0.000 1.134 467 E CA -0.626 55.782 56.400 0.014 0.000 0.919 467 E CB 0.436 30.149 29.700 0.022 0.000 1.025 467 E HN 0.508 nan 8.360 nan 0.000 0.438 468 E N 0.719 120.944 120.200 0.042 0.000 2.398 468 E HA 0.142 4.492 4.350 -0.001 0.000 0.263 468 E C -0.317 176.308 176.600 0.042 0.000 1.046 468 E CA 0.210 56.639 56.400 0.048 0.000 0.908 468 E CB 1.223 30.943 29.700 0.033 0.000 0.963 468 E HN 0.618 nan 8.360 nan 0.000 0.431 469 S N 0.604 116.336 115.700 0.054 0.000 2.615 469 S HA 0.180 4.649 4.470 -0.001 0.000 0.268 469 S C -0.184 174.449 174.600 0.056 0.000 1.146 469 S CA -0.796 57.427 58.200 0.039 0.000 0.818 469 S CB 0.818 64.055 63.200 0.062 0.000 1.111 469 S HN 0.186 nan 8.310 nan 0.000 0.465 470 D N 0.851 121.283 120.400 0.054 0.000 2.310 470 D HA 0.012 4.651 4.640 -0.001 0.000 0.212 470 D C 1.823 178.193 176.300 0.116 0.000 0.965 470 D CA 0.951 55.027 54.000 0.127 0.000 0.879 470 D CB -0.258 40.677 40.800 0.225 0.000 0.921 470 D HN 0.381 nan 8.370 nan 0.000 0.510 471 V N 0.643 120.496 119.914 -0.102 0.000 2.871 471 V HA -0.098 4.021 4.120 -0.001 0.000 0.256 471 V C 1.153 177.264 176.094 0.029 0.000 1.082 471 V CA 0.661 62.781 62.300 -0.299 0.000 1.105 471 V CB -0.371 31.197 31.823 -0.426 0.000 0.713 471 V HN 0.183 nan 8.190 nan 0.000 0.473 472 Q N 0.606 120.489 119.800 0.137 0.000 2.364 472 Q HA 0.220 4.559 4.340 -0.001 0.000 0.267 472 Q C -0.177 175.960 176.000 0.227 0.000 0.999 472 Q CA -0.008 55.950 55.803 0.259 0.000 0.886 472 Q CB 1.644 30.494 28.738 0.186 0.000 1.243 472 Q HN 0.266 nan 8.270 nan 0.000 0.415 473 V N 3.731 123.801 119.914 0.260 0.000 2.585 473 V HA -0.067 4.053 4.120 -0.001 0.000 0.296 473 V C 0.435 176.544 176.094 0.026 0.000 1.035 473 V CA 0.064 62.441 62.300 0.128 0.000 1.084 473 V CB 0.608 32.421 31.823 -0.017 0.000 0.953 473 V HN 0.580 nan 8.190 nan 0.000 0.483 474 Q N 3.501 123.327 119.800 0.045 0.000 2.303 474 Q HA 0.446 4.786 4.340 -0.001 0.000 0.257 474 Q C 0.945 176.941 176.000 -0.007 0.000 0.941 474 Q CA -0.037 55.772 55.803 0.011 0.000 0.931 474 Q CB 1.641 30.396 28.738 0.029 0.000 1.215 474 Q HN 0.823 nan 8.270 nan 0.000 0.437 475 A N 2.554 125.348 122.820 -0.044 0.000 1.969 475 A HA -0.142 4.178 4.320 -0.001 0.000 0.218 475 A C 1.667 179.241 177.584 -0.017 0.000 1.169 475 A CA 2.153 54.163 52.037 -0.046 0.000 0.635 475 A CB 0.008 18.955 19.000 -0.089 0.000 0.810 475 A HN 0.797 nan 8.150 nan 0.000 0.445 476 T N -4.622 109.923 114.554 -0.014 0.000 3.057 476 T HA 0.388 4.738 4.350 -0.001 0.000 0.254 476 T C 1.259 175.960 174.700 0.003 0.000 0.965 476 T CA 0.680 62.778 62.100 -0.003 0.000 0.978 476 T CB -0.723 68.139 68.868 -0.009 0.000 1.169 476 T HN 0.489 nan 8.240 nan 0.000 0.489 477 G N 0.715 109.516 108.800 0.001 0.000 2.688 477 G HA2 0.460 4.420 3.960 -0.001 0.000 0.264 477 G HA3 0.460 4.420 3.960 -0.001 0.000 0.264 477 G C 0.274 175.179 174.900 0.009 0.000 1.267 477 G CA -0.274 44.829 45.100 0.004 0.000 0.960 477 G HN 0.645 nan 8.290 nan 0.000 0.538 478 G N -0.244 108.558 108.800 0.003 0.000 2.356 478 G HA2 0.409 4.369 3.960 -0.001 0.000 0.312 478 G HA3 0.409 4.369 3.960 -0.001 0.000 0.312 478 G C -0.170 174.733 174.900 0.005 0.000 1.096 478 G CA -0.555 44.543 45.100 -0.004 0.000 0.950 478 G HN 0.560 nan 8.290 nan 0.000 0.428 479 N N 0.815 119.527 118.700 0.020 0.000 2.454 479 N HA 0.388 5.127 4.740 -0.001 0.000 0.254 479 N C 1.223 176.734 175.510 0.002 0.000 1.228 479 N CA 0.573 53.652 53.050 0.049 0.000 0.900 479 N CB 0.970 39.504 38.487 0.080 0.000 1.089 479 N HN 0.607 nan 8.380 nan 0.000 0.449 480 K N 1.122 121.539 120.400 0.028 0.000 2.358 480 K HA 0.270 4.589 4.320 -0.001 0.000 0.200 480 K C -0.464 175.860 176.600 -0.460 0.000 1.030 480 K CA 0.370 56.562 56.287 -0.158 0.000 1.097 480 K CB -0.301 32.136 32.500 -0.105 0.000 0.862 480 K HN 0.489 nan 8.250 nan 0.000 0.534 481 F N -1.854 118.074 119.950 -0.037 0.000 2.629 481 F HA 0.659 5.185 4.527 -0.001 0.000 0.316 481 F C -0.502 175.244 175.800 -0.091 0.000 1.081 481 F CA -1.431 56.524 58.000 -0.076 0.000 0.954 481 F CB 2.592 41.494 39.000 -0.164 0.000 1.337 481 F HN -0.195 nan 8.300 nan 0.000 0.474 482 V N 2.844 122.790 119.914 0.054 0.000 2.655 482 V HA 0.504 4.623 4.120 -0.001 0.000 0.301 482 V C -1.464 174.558 176.094 -0.121 0.000 1.082 482 V CA -0.758 61.556 62.300 0.023 0.000 0.899 482 V CB 1.217 33.089 31.823 0.080 0.000 1.014 482 V HN 0.554 nan 8.190 nan 0.000 0.429 483 F N 6.972 126.962 119.950 0.065 0.000 2.443 483 F HA 0.393 4.920 4.527 -0.001 0.000 0.353 483 F C 1.151 176.882 175.800 -0.114 0.000 1.101 483 F CA 0.092 58.082 58.000 -0.016 0.000 1.226 483 F CB 0.732 39.832 39.000 0.167 0.000 1.140 483 F HN 0.777 nan 8.300 nan 0.000 0.557 484 N N 0.744 119.377 118.700 -0.112 0.000 2.366 484 N HA 0.002 4.741 4.740 -0.001 0.000 0.277 484 N C 0.888 176.524 175.510 0.209 0.000 1.275 484 N CA -0.098 52.903 53.050 -0.082 0.000 0.964 484 N CB 0.221 38.588 38.487 -0.200 0.000 1.167 484 N HN 0.568 nan 8.380 nan 0.000 0.568 485 T N -1.160 113.633 114.554 0.398 0.000 3.007 485 T HA -0.136 4.213 4.350 -0.001 0.000 0.270 485 T C 0.622 175.394 174.700 0.120 0.000 1.107 485 T CA 1.209 63.476 62.100 0.279 0.000 1.118 485 T CB -0.246 68.739 68.868 0.195 0.000 0.889 485 T HN 0.615 nan 8.240 nan 0.000 0.506 486 E N 0.136 120.360 120.200 0.040 0.000 2.499 486 E HA 0.560 4.909 4.350 -0.001 0.000 0.207 486 E C 0.660 177.020 176.600 -0.399 0.000 1.034 486 E CA 0.325 56.650 56.400 -0.125 0.000 1.098 486 E CB -0.535 29.104 29.700 -0.102 0.000 1.148 486 E HN 0.310 nan 8.360 nan 0.000 0.447 487 A N 1.165 123.907 122.820 -0.129 0.000 2.783 487 A HA -0.220 4.100 4.320 -0.001 0.000 0.292 487 A C -0.577 176.949 177.584 -0.098 0.000 1.495 487 A CA 1.042 52.998 52.037 -0.135 0.000 0.787 487 A CB -2.177 16.501 19.000 -0.536 0.000 1.017 487 A HN 0.472 nan 8.150 nan 0.000 0.516 488 H N -0.030 119.072 119.070 0.053 0.000 2.623 488 H HA 0.382 4.937 4.556 -0.001 0.000 0.299 488 H C -2.578 172.553 175.328 -0.329 0.000 1.052 488 H CA -1.838 54.168 56.048 -0.070 0.000 1.231 488 H CB 0.830 30.570 29.762 -0.037 0.000 1.389 488 H HN 0.403 nan 8.280 nan 0.000 0.469 489 P HA 0.100 nan 4.420 nan 0.000 0.271 489 P C -0.492 176.890 177.300 0.138 0.000 1.220 489 P CA 0.357 63.260 63.100 -0.328 0.000 0.768 489 P CB 0.506 31.865 31.700 -0.569 0.000 0.848 490 F N 0.285 120.316 119.950 0.135 0.000 2.522 490 F HA 0.255 4.782 4.527 -0.001 0.000 0.324 490 F C 1.033 176.876 175.800 0.071 0.000 1.077 490 F CA -1.232 56.862 58.000 0.157 0.000 0.944 490 F CB 1.862 40.927 39.000 0.109 0.000 1.175 490 F HN 0.142 nan 8.300 nan 0.000 0.468 491 S N 3.858 119.623 115.700 0.109 0.000 2.531 491 S HA 0.189 4.658 4.470 -0.001 0.000 0.279 491 S C 0.172 174.677 174.600 -0.158 0.000 1.305 491 S CA -0.818 57.128 58.200 -0.422 0.000 1.058 491 S CB 0.436 63.418 63.200 -0.363 0.000 0.899 491 S HN 0.393 nan 8.310 nan 0.000 0.493 492 I N 1.234 121.627 120.570 -0.294 0.000 3.194 492 I HA 0.297 4.467 4.170 -0.001 0.000 0.283 492 I C 0.775 176.558 176.117 -0.557 0.000 1.199 492 I CA -0.446 60.629 61.300 -0.375 0.000 1.328 492 I CB 0.010 37.821 38.000 -0.315 0.000 1.404 492 I HN 0.665 nan 8.210 nan 0.000 0.618 493 R N 0.000 119.901 120.500 -0.999 0.000 2.786 493 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 493 R CA 0.000 55.725 56.100 -0.625 0.000 0.921 493 R CB 0.000 29.911 30.300 -0.649 0.000 0.687 493 R HN 0.000 nan 8.270 nan 0.000 0.535