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 2rdx_1_G DATA FIRST_RESID 0 DATA SEQUENCE SLRITRIRLY KTDLPYVDGX XXXXXXXXXT VARASVVVID TDAGLQGCGE DATA SEQUENCE FTPCGENYMI AHSEGVDAFA RLAAPQLLGQ DPRQVARMER LMDHLVQGHG DATA SEQUENCE YAKAPFDAAF WDILGQATGQ PVWMLLGGKL CDGAPMYRVA PQRSEAETRA DATA SEQUENCE ELARHRAAGY RQFQIKVGAD WQSDIDRIRA CLPLLEPGEK AMADANQGWR DATA SEQUENCE VDNAIRLARA TRDLDYILEQ PCRSYEECQQ VRRVADQPMK LDECVTGLHM DATA SEQUENCE AQRIVADRGA EICCLKISNL GGLSKARRTR DFLIDNRMPV VAEDSWGGEI DATA SEQUENCE ASAAVAHFAA STPEEFLINS TDLMNYNTRS TGLGGPTVHQ GRLYASDTPG DATA SEQUENCE LGVTPDFNSL GAPVADWALP 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.587 174.600 -0.021 0.000 1.055 0 S CA 0.000 58.185 58.200 -0.025 0.000 1.107 0 S CB 0.000 63.188 63.200 -0.020 0.000 0.593 1 L N 4.115 125.322 121.223 -0.027 0.000 2.518 1 L HA 0.765 5.105 4.340 -0.000 0.000 0.257 1 L C -1.266 175.590 176.870 -0.022 0.000 0.980 1 L CA -0.229 54.599 54.840 -0.019 0.000 0.837 1 L CB 2.114 44.163 42.059 -0.018 0.000 1.410 1 L HN 0.770 nan 8.230 nan 0.000 0.410 2 R N 3.416 123.912 120.500 -0.006 0.000 2.604 2 R HA 0.598 4.938 4.340 -0.000 0.000 0.281 2 R C -1.308 175.005 176.300 0.022 0.000 1.020 2 R CA -0.835 55.263 56.100 -0.004 0.000 0.899 2 R CB 2.070 32.369 30.300 -0.001 0.000 1.205 2 R HN 0.501 nan 8.270 nan 0.000 0.450 3 I N 2.228 122.816 120.570 0.031 0.000 2.517 3 I HA -0.015 4.155 4.170 -0.000 0.000 0.285 3 I C 1.417 177.577 176.117 0.071 0.000 1.106 3 I CA 0.493 61.839 61.300 0.076 0.000 1.402 3 I CB 1.165 39.231 38.000 0.109 0.000 1.399 3 I HN 0.817 nan 8.210 nan 0.000 0.535 4 T N 2.766 117.370 114.554 0.083 0.000 2.990 4 T HA 0.255 4.605 4.350 -0.000 0.000 0.249 4 T C 0.668 175.428 174.700 0.099 0.000 1.039 4 T CA -0.241 61.904 62.100 0.075 0.000 1.036 4 T CB 0.372 69.275 68.868 0.059 0.000 0.994 4 T HN 0.544 nan 8.240 nan 0.000 0.489 5 R N 0.019 120.595 120.500 0.127 0.000 2.561 5 R HA 0.656 4.996 4.340 -0.000 0.000 0.266 5 R C -2.179 174.241 176.300 0.201 0.000 1.091 5 R CA -0.718 55.476 56.100 0.157 0.000 0.927 5 R CB 1.668 32.041 30.300 0.123 0.000 1.240 5 R HN 0.246 nan 8.270 nan 0.000 0.449 6 I N 3.508 124.242 120.570 0.274 0.000 2.466 6 I HA 0.498 4.667 4.170 -0.000 0.000 0.289 6 I C -0.507 175.850 176.117 0.400 0.000 1.026 6 I CA -0.781 60.712 61.300 0.323 0.000 1.078 6 I CB 2.183 40.377 38.000 0.323 0.000 1.249 6 I HN 0.420 nan 8.210 nan 0.000 0.429 7 R N 4.793 125.455 120.500 0.270 0.000 2.621 7 R HA 0.652 4.992 4.340 -0.000 0.000 0.292 7 R C -1.494 174.853 176.300 0.079 0.000 0.969 7 R CA -0.977 55.197 56.100 0.122 0.000 0.887 7 R CB 2.819 33.128 30.300 0.015 0.000 1.180 7 R HN 0.360 nan 8.270 nan 0.000 0.450 8 L N 3.135 124.347 121.223 -0.018 0.000 2.307 8 L HA 0.480 4.820 4.340 -0.000 0.000 0.284 8 L C -1.599 175.157 176.870 -0.189 0.000 1.023 8 L CA -0.368 54.485 54.840 0.022 0.000 0.810 8 L CB 0.872 43.042 42.059 0.184 0.000 1.231 8 L HN 0.486 nan 8.230 nan 0.000 0.423 9 Y N 3.759 124.107 120.300 0.080 0.000 2.468 9 Y HA 0.631 5.181 4.550 -0.000 0.000 0.342 9 Y C -0.176 175.761 175.900 0.062 0.000 1.021 9 Y CA -0.713 57.429 58.100 0.069 0.000 1.079 9 Y CB 1.942 40.439 38.460 0.062 0.000 1.226 9 Y HN 0.369 nan 8.280 nan 0.000 0.460 10 K N 1.731 122.255 120.400 0.207 0.000 2.471 10 K HA 0.594 4.914 4.320 -0.000 0.000 0.252 10 K C -1.192 175.482 176.600 0.123 0.000 0.938 10 K CA -0.678 55.693 56.287 0.141 0.000 0.796 10 K CB 2.505 35.070 32.500 0.109 0.000 1.161 10 K HN 0.668 nan 8.250 nan 0.000 0.425 11 T N 1.037 115.648 114.554 0.095 0.000 2.894 11 T HA 0.215 4.565 4.350 -0.000 0.000 0.309 11 T C -1.669 173.068 174.700 0.062 0.000 1.208 11 T CA -0.711 61.433 62.100 0.074 0.000 1.016 11 T CB 1.387 70.292 68.868 0.061 0.000 1.192 11 T HN 0.356 nan 8.240 nan 0.000 0.491 12 D N 2.699 123.133 120.400 0.058 0.000 2.264 12 D HA 0.372 5.012 4.640 -0.000 0.000 0.250 12 D C -0.308 176.033 176.300 0.068 0.000 1.113 12 D CA 0.061 54.096 54.000 0.059 0.000 0.871 12 D CB 1.008 41.840 40.800 0.053 0.000 1.167 12 D HN 0.349 nan 8.370 nan 0.000 0.447 13 L N 4.771 126.051 121.223 0.094 0.000 2.356 13 L HA 0.318 4.657 4.340 -0.000 0.000 0.264 13 L C -2.351 174.627 176.870 0.180 0.000 1.029 13 L CA -1.846 53.071 54.840 0.128 0.000 0.897 13 L CB 1.499 43.651 42.059 0.156 0.000 1.256 13 L HN 0.022 nan 8.230 nan 0.000 0.444 14 P HA 0.046 nan 4.420 nan 0.000 0.279 14 P C -0.897 176.553 177.300 0.249 0.000 1.239 14 P CA -0.242 62.958 63.100 0.167 0.000 0.789 14 P CB 0.468 32.229 31.700 0.102 0.000 0.933 15 Y N 3.413 123.807 120.300 0.156 0.000 2.411 15 Y HA 0.038 4.588 4.550 -0.000 0.000 0.333 15 Y C 1.604 177.591 175.900 0.144 0.000 1.186 15 Y CA -0.353 57.874 58.100 0.212 0.000 1.381 15 Y CB 0.463 39.040 38.460 0.196 0.000 1.273 15 Y HN 0.233 nan 8.280 nan 0.000 0.546 16 V N 0.941 120.579 119.914 -0.459 0.000 2.392 16 V HA -0.210 3.910 4.120 -0.000 0.000 0.249 16 V C 0.751 176.617 176.094 -0.380 0.000 1.059 16 V CA 2.314 64.385 62.300 -0.382 0.000 1.051 16 V CB -0.483 31.146 31.823 -0.324 0.000 0.658 16 V HN 0.764 nan 8.190 nan 0.000 0.455 17 D N 0.676 120.687 120.400 -0.649 0.000 2.427 17 D HA 0.484 5.124 4.640 -0.000 0.000 0.224 17 D C 0.938 177.265 176.300 0.044 0.000 1.157 17 D CA 1.012 54.887 54.000 -0.207 0.000 0.828 17 D CB 0.359 41.113 40.800 -0.077 0.000 0.974 17 D HN 0.864 nan 8.370 nan 0.000 0.498 30 V N 2.346 122.271 119.914 0.017 0.000 2.623 30 V HA 0.891 5.011 4.120 -0.000 0.000 0.304 30 V C -0.157 175.935 176.094 -0.003 0.000 1.054 30 V CA -0.518 61.809 62.300 0.044 0.000 0.882 30 V CB 1.421 33.271 31.823 0.045 0.000 1.002 30 V HN 0.552 nan 8.190 nan 0.000 0.424 31 A N 4.886 127.725 122.820 0.031 0.000 2.312 31 A HA 0.851 5.171 4.320 -0.000 0.000 0.328 31 A C -0.195 177.408 177.584 0.033 0.000 1.158 31 A CA -0.679 51.350 52.037 -0.012 0.000 0.821 31 A CB 1.057 20.050 19.000 -0.012 0.000 1.170 31 A HN 0.615 nan 8.150 nan 0.000 0.490 32 R N 1.352 121.850 120.500 -0.003 0.000 2.198 32 R HA 0.516 4.856 4.340 -0.000 0.000 0.339 32 R C -0.096 176.203 176.300 -0.001 0.000 1.020 32 R CA -0.064 56.047 56.100 0.018 0.000 0.864 32 R CB 0.624 30.943 30.300 0.033 0.000 1.105 32 R HN 0.849 nan 8.270 nan 0.000 0.463 33 A N 2.486 125.322 122.820 0.026 0.000 2.340 33 A HA 0.479 4.799 4.320 -0.000 0.000 0.268 33 A C -0.381 177.236 177.584 0.055 0.000 1.100 33 A CA -0.186 51.860 52.037 0.016 0.000 0.803 33 A CB 0.717 19.735 19.000 0.030 0.000 1.043 33 A HN 0.628 nan 8.150 nan 0.000 0.488 34 S N 0.740 116.480 115.700 0.067 0.000 2.707 34 S HA 0.478 4.948 4.470 -0.000 0.000 0.312 34 S C -0.749 173.919 174.600 0.114 0.000 1.116 34 S CA -0.424 57.854 58.200 0.131 0.000 1.078 34 S CB 1.203 64.528 63.200 0.209 0.000 0.997 34 S HN 0.559 nan 8.310 nan 0.000 0.477 35 V N 4.041 124.028 119.914 0.122 0.000 2.435 35 V HA 0.519 4.639 4.120 -0.000 0.000 0.290 35 V C -0.268 175.894 176.094 0.113 0.000 1.030 35 V CA -0.612 61.741 62.300 0.089 0.000 0.881 35 V CB 1.856 33.708 31.823 0.047 0.000 0.983 35 V HN 0.626 nan 8.190 nan 0.000 0.445 36 V N 5.626 125.525 119.914 -0.025 0.000 2.417 36 V HA 0.501 4.621 4.120 -0.000 0.000 0.291 36 V C -0.283 175.789 176.094 -0.036 0.000 1.024 36 V CA -0.532 61.691 62.300 -0.128 0.000 0.861 36 V CB 1.921 33.386 31.823 -0.597 0.000 0.985 36 V HN 0.596 nan 8.190 nan 0.000 0.436 37 V N 6.659 126.641 119.914 0.114 0.000 2.409 37 V HA 0.532 4.652 4.120 -0.000 0.000 0.291 37 V C -0.347 175.839 176.094 0.152 0.000 1.020 37 V CA -0.384 62.016 62.300 0.166 0.000 0.848 37 V CB 1.732 33.772 31.823 0.360 0.000 0.990 37 V HN 0.695 nan 8.190 nan 0.000 0.430 38 I N 4.265 124.904 120.570 0.114 0.000 2.389 38 I HA 0.435 4.605 4.170 -0.000 0.000 0.288 38 I C -0.358 175.850 176.117 0.151 0.000 0.999 38 I CA -0.226 61.162 61.300 0.147 0.000 1.129 38 I CB 1.572 39.667 38.000 0.159 0.000 1.288 38 I HN 0.530 nan 8.210 nan 0.000 0.444 39 D N 4.299 124.789 120.400 0.150 0.000 2.217 39 D HA 0.496 5.136 4.640 -0.000 0.000 0.248 39 D C -0.183 176.183 176.300 0.109 0.000 1.008 39 D CA -0.030 54.043 54.000 0.122 0.000 0.914 39 D CB 2.341 43.207 40.800 0.109 0.000 1.182 39 D HN 0.534 nan 8.370 nan 0.000 0.451 40 T N -2.486 112.120 114.554 0.086 0.000 2.926 40 T HA 0.242 4.592 4.350 -0.000 0.000 0.289 40 T C 0.704 175.433 174.700 0.049 0.000 1.054 40 T CA -0.759 61.381 62.100 0.067 0.000 1.015 40 T CB 1.563 70.468 68.868 0.061 0.000 1.167 40 T HN 0.235 nan 8.240 nan 0.000 0.526 41 D N 0.093 120.515 120.400 0.036 0.000 2.348 41 D HA 0.065 4.705 4.640 -0.000 0.000 0.216 41 D C 1.609 177.923 176.300 0.022 0.000 0.970 41 D CA 0.720 54.736 54.000 0.026 0.000 0.889 41 D CB -0.495 40.316 40.800 0.018 0.000 0.912 41 D HN 0.665 nan 8.370 nan 0.000 0.524 42 A N -0.245 122.589 122.820 0.023 0.000 2.308 42 A HA 0.560 4.880 4.320 -0.000 0.000 0.217 42 A C 1.869 179.468 177.584 0.026 0.000 1.216 42 A CA 0.438 52.487 52.037 0.020 0.000 0.864 42 A CB -0.378 18.632 19.000 0.016 0.000 0.902 42 A HN 0.473 nan 8.150 nan 0.000 0.499 43 G N -0.833 107.988 108.800 0.034 0.000 2.143 43 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.249 43 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.249 43 G C 0.042 174.969 174.900 0.046 0.000 0.981 43 G CA 0.261 45.384 45.100 0.039 0.000 0.665 43 G HN 0.443 nan 8.290 nan 0.000 0.528 44 L N 0.591 121.843 121.223 0.048 0.000 2.319 44 L HA 0.460 4.800 4.340 -0.000 0.000 0.280 44 L C 0.710 177.624 176.870 0.073 0.000 1.099 44 L CA -0.138 54.734 54.840 0.054 0.000 0.828 44 L CB 1.393 43.481 42.059 0.048 0.000 1.150 44 L HN 0.310 nan 8.230 nan 0.000 0.442 45 Q N 2.171 122.018 119.800 0.079 0.000 2.316 45 Q HA 0.587 4.927 4.340 -0.000 0.000 0.264 45 Q C -0.530 175.522 176.000 0.086 0.000 0.987 45 Q CA -0.584 55.277 55.803 0.098 0.000 0.852 45 Q CB 2.124 30.934 28.738 0.119 0.000 1.287 45 Q HN 0.763 nan 8.270 nan 0.000 0.448 46 G N 1.506 110.359 108.800 0.089 0.000 2.448 46 G HA2 0.622 4.582 3.960 -0.000 0.000 0.324 46 G HA3 0.622 4.582 3.960 -0.000 0.000 0.324 46 G C -0.805 174.112 174.900 0.029 0.000 1.203 46 G CA -0.498 44.640 45.100 0.063 0.000 0.954 46 G HN 0.847 nan 8.290 nan 0.000 0.480 47 C N 0.009 119.307 119.300 -0.002 0.000 2.889 47 C HA 1.070 5.530 4.460 -0.000 0.000 0.307 47 C C 0.387 175.345 174.990 -0.053 0.000 1.251 47 C CA -0.358 58.636 59.018 -0.039 0.000 1.593 47 C CB 1.354 29.056 27.740 -0.063 0.000 2.104 47 C HN 1.260 nan 8.230 nan 0.000 0.476 48 G N 0.545 109.299 108.800 -0.076 0.000 2.704 48 G HA2 0.656 4.615 3.960 -0.000 0.000 0.293 48 G HA3 0.656 4.615 3.960 -0.000 0.000 0.293 48 G C -2.238 172.644 174.900 -0.031 0.000 1.421 48 G CA -0.271 44.795 45.100 -0.056 0.000 0.870 48 G HN 1.078 nan 8.290 nan 0.000 0.492 49 E N -0.046 120.168 120.200 0.023 0.000 2.292 49 E HA 0.579 4.928 4.350 -0.000 0.000 0.272 49 E C -2.020 174.686 176.600 0.177 0.000 0.881 49 E CA -0.807 55.634 56.400 0.067 0.000 0.754 49 E CB 2.420 32.139 29.700 0.032 0.000 1.201 49 E HN 0.306 nan 8.360 nan 0.000 0.425 50 F N 2.806 122.787 119.950 0.051 0.000 2.493 50 F HA 0.523 5.050 4.527 -0.000 0.000 0.329 50 F C -1.347 174.523 175.800 0.117 0.000 1.126 50 F CA -0.298 57.758 58.000 0.093 0.000 0.937 50 F CB 2.033 41.108 39.000 0.125 0.000 1.146 50 F HN 0.230 nan 8.300 nan 0.000 0.442 51 T N 7.958 122.130 114.554 -0.638 0.000 2.949 51 T HA 0.387 4.737 4.350 -0.000 0.000 0.300 51 T C -2.940 171.382 174.700 -0.630 0.000 0.988 51 T CA -1.200 60.565 62.100 -0.560 0.000 0.993 51 T CB 1.859 70.671 68.868 -0.093 0.000 0.984 51 T HN 0.332 nan 8.240 nan 0.000 0.442 52 P HA 0.282 nan 4.420 nan 0.000 0.277 52 P C -0.388 176.750 177.300 -0.269 0.000 1.240 52 P CA -0.595 62.310 63.100 -0.325 0.000 0.798 52 P CB 0.821 32.417 31.700 -0.173 0.000 0.979 53 C N 3.370 122.452 119.300 -0.363 0.000 2.125 53 C HA 0.679 5.139 4.460 -0.000 0.000 0.355 53 C C 0.536 175.166 174.990 -0.599 0.000 1.047 53 C CA 0.929 59.501 59.018 -0.743 0.000 1.501 53 C CB -2.141 24.982 27.740 -1.028 0.000 1.783 53 C HN 0.899 nan 8.230 nan 0.000 0.455 54 G N 5.494 114.062 108.800 -0.387 0.000 2.879 54 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.686 54 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.686 54 G C 0.207 175.070 174.900 -0.061 0.000 1.115 54 G CA -0.296 44.682 45.100 -0.203 0.000 0.770 54 G HN 0.641 nan 8.290 nan 0.000 0.601 55 E N 1.186 121.371 120.200 -0.025 0.000 2.274 55 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 55 E C 1.952 178.583 176.600 0.052 0.000 0.996 55 E CA 1.351 57.773 56.400 0.036 0.000 0.840 55 E CB -0.001 29.716 29.700 0.027 0.000 0.772 55 E HN 0.725 nan 8.360 nan 0.000 0.491 56 N N -0.368 118.355 118.700 0.038 0.000 2.270 56 N HA -0.095 4.645 4.740 -0.000 0.000 0.198 56 N C 1.232 176.776 175.510 0.056 0.000 1.117 56 N CA -0.040 53.029 53.050 0.032 0.000 0.845 56 N CB -0.478 38.014 38.487 0.007 0.000 0.980 56 N HN 0.130 nan 8.380 nan 0.000 0.486 57 Y N 1.761 122.026 120.300 -0.057 0.000 2.206 57 Y HA 0.177 4.727 4.550 -0.000 0.000 0.292 57 Y C 1.032 176.906 175.900 -0.043 0.000 1.123 57 Y CA 0.856 58.919 58.100 -0.062 0.000 1.142 57 Y CB 0.217 38.631 38.460 -0.077 0.000 1.006 57 Y HN 0.125 nan 8.280 nan 0.000 0.518 58 M N -1.498 118.090 119.600 -0.021 0.000 2.846 58 M HA 0.358 4.838 4.480 -0.000 0.000 0.282 58 M C -0.756 175.496 176.300 -0.080 0.000 1.266 58 M CA -1.002 54.234 55.300 -0.106 0.000 0.766 58 M CB 1.562 34.118 32.600 -0.073 0.000 1.739 58 M HN -0.190 nan 8.290 nan 0.000 0.442 59 I N 1.783 122.290 120.570 -0.105 0.000 2.366 59 I HA 0.453 4.623 4.170 -0.000 0.000 0.302 59 I C -0.250 175.675 176.117 -0.320 0.000 1.194 59 I CA 0.120 61.341 61.300 -0.132 0.000 1.667 59 I CB -0.912 37.035 38.000 -0.088 0.000 1.501 59 I HN 0.674 nan 8.210 nan 0.000 0.776 60 A N 4.275 126.829 122.820 -0.443 0.000 2.573 60 A HA 0.697 5.017 4.320 -0.000 0.000 0.299 60 A C -1.076 176.282 177.584 -0.377 0.000 1.060 60 A CA -0.712 50.703 52.037 -1.037 0.000 0.736 60 A CB 0.925 19.585 19.000 -0.567 0.000 1.280 60 A HN 0.740 nan 8.150 nan 0.000 0.401 61 H N -1.098 117.748 119.070 -0.373 0.000 3.008 61 H HA 0.721 5.276 4.556 -0.000 0.000 0.354 61 H C 0.805 176.341 175.328 0.346 0.000 1.252 61 H CA -0.178 55.911 56.048 0.068 0.000 1.117 61 H CB 1.058 30.846 29.762 0.043 0.000 1.857 61 H HN 0.682 nan 8.280 nan 0.000 0.547 62 S N -0.353 115.581 115.700 0.390 0.000 2.428 62 S HA -0.113 4.356 4.470 -0.000 0.000 0.230 62 S C 1.025 175.840 174.600 0.359 0.000 1.014 62 S CA 0.909 59.300 58.200 0.318 0.000 0.957 62 S CB -0.208 63.080 63.200 0.147 0.000 0.784 62 S HN 0.666 nan 8.310 nan 0.000 0.499 63 E N 1.294 121.771 120.200 0.463 0.000 2.435 63 E HA 0.114 4.463 4.350 -0.000 0.000 0.195 63 E C 1.956 178.781 176.600 0.375 0.000 1.029 63 E CA 0.638 57.276 56.400 0.396 0.000 0.865 63 E CB -0.468 29.452 29.700 0.367 0.000 0.833 63 E HN 0.694 nan 8.360 nan 0.000 0.510 64 G N 0.860 109.824 108.800 0.274 0.000 2.534 64 G HA2 -0.115 3.844 3.960 -0.000 0.000 0.217 64 G HA3 -0.115 3.844 3.960 -0.000 0.000 0.217 64 G C 1.688 176.700 174.900 0.186 0.000 1.128 64 G CA 0.282 45.492 45.100 0.184 0.000 0.784 64 G HN 0.133 nan 8.290 nan 0.000 0.542 65 V N 1.107 121.179 119.914 0.263 0.000 2.379 65 V HA -0.115 4.005 4.120 -0.000 0.000 0.245 65 V C 2.478 178.755 176.094 0.305 0.000 1.044 65 V CA 2.046 64.512 62.300 0.278 0.000 1.036 65 V CB -0.471 31.542 31.823 0.318 0.000 0.664 65 V HN 0.249 nan 8.190 nan 0.000 0.453 66 D N 0.994 121.557 120.400 0.271 0.000 2.103 66 D HA -0.185 4.455 4.640 -0.000 0.000 0.190 66 D C 2.240 178.678 176.300 0.229 0.000 0.997 66 D CA 1.851 56.005 54.000 0.258 0.000 0.833 66 D CB -0.451 40.480 40.800 0.218 0.000 0.961 66 D HN 0.402 nan 8.370 nan 0.000 0.447 67 A N 0.168 123.111 122.820 0.206 0.000 1.892 67 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 67 A C 2.122 179.765 177.584 0.098 0.000 1.188 67 A CA 1.530 53.658 52.037 0.152 0.000 0.631 67 A CB -1.146 17.957 19.000 0.170 0.000 0.822 67 A HN 0.329 nan 8.150 nan 0.000 0.447 68 F N 0.896 120.832 119.950 -0.024 0.000 2.134 68 F HA -0.012 4.515 4.527 -0.000 0.000 0.299 68 F C 2.490 178.225 175.800 -0.109 0.000 1.097 68 F CA 1.083 59.015 58.000 -0.114 0.000 1.264 68 F CB -0.545 38.364 39.000 -0.152 0.000 1.001 68 F HN 0.244 nan 8.300 nan 0.000 0.479 69 A N 0.700 123.455 122.820 -0.108 0.000 1.933 69 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 69 A C 2.347 179.684 177.584 -0.413 0.000 1.175 69 A CA 1.557 53.449 52.037 -0.242 0.000 0.628 69 A CB -0.719 18.382 19.000 0.168 0.000 0.814 69 A HN 0.445 nan 8.150 nan 0.000 0.444 70 R N -1.244 119.237 120.500 -0.032 0.000 2.152 70 R HA -0.005 4.335 4.340 -0.000 0.000 0.232 70 R C 1.978 178.226 176.300 -0.086 0.000 1.117 70 R CA 1.253 57.427 56.100 0.123 0.000 0.981 70 R CB -0.316 30.097 30.300 0.188 0.000 0.870 70 R HN 0.569 nan 8.270 nan 0.000 0.451 71 L N -0.718 120.356 121.223 -0.248 0.000 2.221 71 L HA 0.086 4.426 4.340 -0.000 0.000 0.202 71 L C 2.134 178.738 176.870 -0.443 0.000 1.074 71 L CA 0.804 55.472 54.840 -0.287 0.000 0.795 71 L CB -0.008 41.896 42.059 -0.259 0.000 0.960 71 L HN 0.088 nan 8.230 nan 0.000 0.458 72 A N -0.884 121.487 122.820 -0.749 0.000 1.956 72 A HA 0.166 4.486 4.320 -0.000 0.000 0.212 72 A C 2.305 179.471 177.584 -0.697 0.000 1.188 72 A CA 0.847 52.383 52.037 -0.836 0.000 0.675 72 A CB -0.599 17.496 19.000 -1.508 0.000 0.845 72 A HN 0.404 nan 8.150 nan 0.000 0.455 73 A N 0.785 123.098 122.820 -0.846 0.000 1.940 73 A HA -0.037 4.283 4.320 -0.000 0.000 0.219 73 A C 0.091 177.333 177.584 -0.570 0.000 1.176 73 A CA 1.916 53.469 52.037 -0.806 0.000 0.631 73 A CB -1.635 16.488 19.000 -1.462 0.000 0.814 73 A HN 0.432 nan 8.150 nan 0.000 0.446 74 P HA -0.155 nan 4.420 nan 0.000 0.218 74 P C 1.322 178.530 177.300 -0.153 0.000 1.148 74 P CA 1.093 64.071 63.100 -0.204 0.000 0.822 74 P CB -0.036 31.594 31.700 -0.116 0.000 0.784 75 Q N -1.256 118.422 119.800 -0.203 0.000 2.389 75 Q HA 0.094 4.434 4.340 -0.000 0.000 0.204 75 Q C 1.914 177.830 176.000 -0.141 0.000 0.944 75 Q CA 0.770 56.481 55.803 -0.152 0.000 0.908 75 Q CB -0.230 28.410 28.738 -0.162 0.000 1.002 75 Q HN 0.389 nan 8.270 nan 0.000 0.493 76 L N 0.103 121.228 121.223 -0.164 0.000 2.529 76 L HA 0.128 4.468 4.340 -0.000 0.000 0.223 76 L C 0.639 177.489 176.870 -0.034 0.000 1.113 76 L CA -0.080 54.702 54.840 -0.098 0.000 0.861 76 L CB 0.152 42.171 42.059 -0.067 0.000 1.012 76 L HN 0.064 nan 8.230 nan 0.000 0.461 77 L N 0.249 121.453 121.223 -0.032 0.000 2.453 77 L HA 0.172 4.512 4.340 -0.000 0.000 0.272 77 L C 1.401 178.266 176.870 -0.008 0.000 1.182 77 L CA 0.761 55.607 54.840 0.010 0.000 0.858 77 L CB 0.361 42.438 42.059 0.029 0.000 1.120 77 L HN 0.325 nan 8.230 nan 0.000 0.474 78 G N 1.827 110.628 108.800 0.001 0.000 2.241 78 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.244 78 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.244 78 G C 0.273 175.151 174.900 -0.037 0.000 0.998 78 G CA -0.216 44.875 45.100 -0.014 0.000 0.621 78 G HN 0.543 nan 8.290 nan 0.000 0.519 79 Q N 0.625 120.392 119.800 -0.055 0.000 2.317 79 Q HA 0.544 4.883 4.340 -0.000 0.000 0.229 79 Q C -0.299 175.636 176.000 -0.109 0.000 0.984 79 Q CA -0.133 55.611 55.803 -0.097 0.000 0.911 79 Q CB 0.903 29.558 28.738 -0.138 0.000 1.217 79 Q HN 0.243 nan 8.270 nan 0.000 0.501 80 D N 1.540 121.855 120.400 -0.141 0.000 2.380 80 D HA 0.170 4.810 4.640 -0.000 0.000 0.230 80 D C -1.870 174.298 176.300 -0.220 0.000 1.154 80 D CA -2.093 51.825 54.000 -0.137 0.000 0.859 80 D CB 1.081 41.812 40.800 -0.115 0.000 1.045 80 D HN 0.240 nan 8.370 nan 0.000 0.495 81 P HA -0.069 nan 4.420 nan 0.000 0.223 81 P C 1.112 178.288 177.300 -0.206 0.000 1.151 81 P CA 0.503 63.435 63.100 -0.279 0.000 0.787 81 P CB 0.474 32.217 31.700 0.073 0.000 0.788 82 R N -0.056 120.361 120.500 -0.139 0.000 2.152 82 R HA -0.061 4.279 4.340 -0.000 0.000 0.232 82 R C 1.364 177.537 176.300 -0.213 0.000 1.117 82 R CA 0.912 56.928 56.100 -0.139 0.000 0.981 82 R CB -0.643 29.598 30.300 -0.098 0.000 0.870 82 R HN 0.412 nan 8.270 nan 0.000 0.451 83 Q N 1.134 120.796 119.800 -0.230 0.000 2.678 83 Q HA 0.043 4.383 4.340 -0.000 0.000 0.222 83 Q C 1.187 177.005 176.000 -0.304 0.000 1.281 83 Q CA -0.226 55.433 55.803 -0.239 0.000 0.994 83 Q CB 1.044 29.668 28.738 -0.191 0.000 1.452 83 Q HN 0.237 nan 8.270 nan 0.000 0.570 84 V N -1.048 118.643 119.914 -0.371 0.000 2.469 84 V HA -0.245 3.875 4.120 -0.000 0.000 0.251 84 V C 1.790 177.744 176.094 -0.232 0.000 1.064 84 V CA 2.047 64.107 62.300 -0.401 0.000 1.066 84 V CB -0.581 30.725 31.823 -0.862 0.000 0.667 84 V HN 0.601 nan 8.190 nan 0.000 0.461 85 A N 0.261 122.966 122.820 -0.192 0.000 1.975 85 A HA 0.037 4.357 4.320 -0.000 0.000 0.215 85 A C 2.478 180.001 177.584 -0.100 0.000 1.170 85 A CA 1.171 53.148 52.037 -0.099 0.000 0.656 85 A CB -0.550 18.410 19.000 -0.068 0.000 0.821 85 A HN 0.550 nan 8.150 nan 0.000 0.449 86 R N -0.893 119.523 120.500 -0.140 0.000 2.081 86 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 86 R C 1.857 178.060 176.300 -0.162 0.000 1.131 86 R CA 1.746 57.761 56.100 -0.142 0.000 0.960 86 R CB -0.255 29.950 30.300 -0.157 0.000 0.856 86 R HN 0.359 nan 8.270 nan 0.000 0.436 87 M N 0.748 120.206 119.600 -0.236 0.000 2.117 87 M HA -0.144 4.336 4.480 -0.000 0.000 0.262 87 M C 2.062 178.318 176.300 -0.073 0.000 1.065 87 M CA 1.530 56.665 55.300 -0.276 0.000 1.114 87 M CB -1.050 31.144 32.600 -0.677 0.000 1.361 87 M HN 0.287 nan 8.290 nan 0.000 0.408 88 E N 0.658 120.841 120.200 -0.028 0.000 2.038 88 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 88 E C 2.128 178.731 176.600 0.005 0.000 1.000 88 E CA 1.500 57.915 56.400 0.024 0.000 0.803 88 E CB 0.027 29.744 29.700 0.028 0.000 0.750 88 E HN 0.449 nan 8.360 nan 0.000 0.448 89 R N -0.096 120.393 120.500 -0.019 0.000 2.148 89 R HA -0.112 4.228 4.340 -0.000 0.000 0.227 89 R C 2.498 178.802 176.300 0.006 0.000 1.103 89 R CA 0.802 56.897 56.100 -0.009 0.000 0.983 89 R CB -0.288 29.994 30.300 -0.029 0.000 0.874 89 R HN 0.247 nan 8.270 nan 0.000 0.451 90 L N 0.862 122.069 121.223 -0.026 0.000 2.005 90 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 90 L C 2.129 179.024 176.870 0.042 0.000 1.072 90 L CA 1.739 56.568 54.840 -0.018 0.000 0.744 90 L CB -0.339 41.672 42.059 -0.079 0.000 0.895 90 L HN 0.109 nan 8.230 nan 0.000 0.433 91 M N -0.809 118.818 119.600 0.046 0.000 2.108 91 M HA -0.220 4.260 4.480 -0.000 0.000 0.261 91 M C 1.588 177.943 176.300 0.091 0.000 1.066 91 M CA 1.818 57.187 55.300 0.116 0.000 1.107 91 M CB -0.638 32.050 32.600 0.147 0.000 1.356 91 M HN 0.222 nan 8.290 nan 0.000 0.406 92 D N -1.109 119.319 120.400 0.046 0.000 2.310 92 D HA -0.140 4.500 4.640 -0.000 0.000 0.212 92 D C 1.819 178.154 176.300 0.058 0.000 0.965 92 D CA 0.957 54.975 54.000 0.029 0.000 0.879 92 D CB -0.398 40.410 40.800 0.013 0.000 0.921 92 D HN 0.460 nan 8.370 nan 0.000 0.510 93 H N 0.227 119.290 119.070 -0.012 0.000 2.497 93 H HA 0.114 4.670 4.556 -0.000 0.000 0.282 93 H C 2.041 177.359 175.328 -0.017 0.000 1.003 93 H CA 0.319 56.356 56.048 -0.017 0.000 1.307 93 H CB 0.293 30.038 29.762 -0.029 0.000 1.437 93 H HN 0.105 nan 8.280 nan 0.000 0.544 94 L N 0.846 122.088 121.223 0.032 0.000 1.988 94 L HA -0.044 4.296 4.340 -0.000 0.000 0.207 94 L C 1.098 177.939 176.870 -0.047 0.000 1.071 94 L CA 1.096 55.919 54.840 -0.029 0.000 0.744 94 L CB -0.005 42.039 42.059 -0.025 0.000 0.893 94 L HN 0.109 nan 8.230 nan 0.000 0.433 95 V N -2.516 117.419 119.914 0.035 0.000 2.876 95 V HA 0.401 4.521 4.120 -0.000 0.000 0.312 95 V C -0.879 175.220 176.094 0.009 0.000 1.085 95 V CA -0.888 61.413 62.300 0.002 0.000 0.945 95 V CB 1.936 33.749 31.823 -0.015 0.000 1.017 95 V HN 0.160 nan 8.190 nan 0.000 0.428 96 Q N 2.665 122.481 119.800 0.026 0.000 2.259 96 Q HA 0.603 4.943 4.340 -0.000 0.000 0.249 96 Q C 0.863 176.944 176.000 0.136 0.000 0.914 96 Q CA 0.392 56.223 55.803 0.048 0.000 0.904 96 Q CB 1.531 30.289 28.738 0.034 0.000 1.213 96 Q HN 1.687 nan 8.270 nan 0.000 0.428 97 G N 1.242 110.071 108.800 0.049 0.000 2.547 97 G HA2 -0.384 3.575 3.960 -0.000 0.000 0.271 97 G HA3 -0.384 3.575 3.960 -0.000 0.000 0.271 97 G C -0.457 174.446 174.900 0.005 0.000 1.209 97 G CA 0.279 45.381 45.100 0.004 0.000 0.959 97 G HN 0.996 nan 8.290 nan 0.000 0.563 98 H N -1.041 117.940 119.070 -0.148 0.000 2.692 98 H HA -0.132 4.424 4.556 -0.000 0.000 0.316 98 H C 1.719 176.679 175.328 -0.613 0.000 1.176 98 H CA 1.782 57.617 56.048 -0.355 0.000 1.142 98 H CB -1.605 27.924 29.762 -0.387 0.000 1.475 98 H HN 1.523 nan 8.280 nan 0.000 0.423 99 G N -0.078 108.553 108.800 -0.280 0.000 2.421 99 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.217 99 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.217 99 G C 1.415 176.105 174.900 -0.350 0.000 1.143 99 G CA 0.721 45.651 45.100 -0.284 0.000 0.784 99 G HN 0.750 nan 8.290 nan 0.000 0.541 100 Y N 0.356 120.423 120.300 -0.388 0.000 2.241 100 Y HA 0.099 4.649 4.550 -0.000 0.000 0.286 100 Y C 2.624 178.124 175.900 -0.666 0.000 1.166 100 Y CA 0.881 58.576 58.100 -0.675 0.000 1.203 100 Y CB -0.655 37.236 38.460 -0.949 0.000 0.977 100 Y HN 0.180 nan 8.280 nan 0.000 0.529 101 A N 0.638 122.807 122.820 -1.085 0.000 2.030 101 A HA 0.035 4.355 4.320 -0.000 0.000 0.215 101 A C 2.087 179.452 177.584 -0.364 0.000 1.164 101 A CA 0.785 52.422 52.037 -0.666 0.000 0.697 101 A CB -0.334 18.191 19.000 -0.792 0.000 0.827 101 A HN 0.472 nan 8.150 nan 0.000 0.457 102 K N -0.011 120.023 120.400 -0.610 0.000 2.296 102 K HA 0.147 4.467 4.320 -0.000 0.000 0.200 102 K C 2.146 178.744 176.600 -0.003 0.000 1.048 102 K CA 0.693 56.746 56.287 -0.390 0.000 0.966 102 K CB -0.178 32.010 32.500 -0.521 0.000 0.754 102 K HN 0.400 nan 8.250 nan 0.000 0.466 103 A N 2.284 125.054 122.820 -0.084 0.000 1.917 103 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 103 A C -0.558 177.052 177.584 0.044 0.000 1.182 103 A CA 1.368 53.397 52.037 -0.013 0.000 0.633 103 A CB -1.387 17.580 19.000 -0.054 0.000 0.819 103 A HN 0.155 nan 8.150 nan 0.000 0.448 104 P HA -0.079 nan 4.420 nan 0.000 0.218 104 P C 1.019 178.219 177.300 -0.167 0.000 1.149 104 P CA 0.853 63.933 63.100 -0.034 0.000 0.817 104 P CB -0.167 31.495 31.700 -0.062 0.000 0.785 105 F N 0.271 120.124 119.950 -0.161 0.000 2.084 105 F HA -0.166 4.361 4.527 -0.000 0.000 0.296 105 F C 2.270 177.604 175.800 -0.777 0.000 1.111 105 F CA 1.769 59.483 58.000 -0.477 0.000 1.224 105 F CB -1.296 37.564 39.000 -0.234 0.000 0.991 105 F HN -0.068 nan 8.300 nan 0.000 0.471 106 D N 0.206 120.598 120.400 -0.013 0.000 2.133 106 D HA -0.243 4.397 4.640 -0.000 0.000 0.192 106 D C 2.161 178.612 176.300 0.251 0.000 1.001 106 D CA 1.628 55.755 54.000 0.212 0.000 0.844 106 D CB -0.298 40.652 40.800 0.250 0.000 0.944 106 D HN 0.178 nan 8.370 nan 0.000 0.447 107 A N 0.270 123.167 122.820 0.129 0.000 1.902 107 A HA 0.050 4.370 4.320 -0.000 0.000 0.217 107 A C 2.388 180.037 177.584 0.107 0.000 1.181 107 A CA 2.277 54.400 52.037 0.143 0.000 0.623 107 A CB -1.064 17.963 19.000 0.045 0.000 0.818 107 A HN 0.342 nan 8.150 nan 0.000 0.443 108 A N -0.937 121.842 122.820 -0.068 0.000 1.933 108 A HA 0.038 4.358 4.320 -0.000 0.000 0.218 108 A C 1.870 179.472 177.584 0.029 0.000 1.175 108 A CA 1.544 53.526 52.037 -0.093 0.000 0.628 108 A CB -0.706 18.144 19.000 -0.249 0.000 0.814 108 A HN 0.441 nan 8.150 nan 0.000 0.444 109 F N -1.885 118.131 119.950 0.111 0.000 2.146 109 F HA -0.102 4.425 4.527 -0.000 0.000 0.298 109 F C 2.066 177.854 175.800 -0.019 0.000 1.096 109 F CA 0.154 58.167 58.000 0.021 0.000 1.275 109 F CB -1.303 37.676 39.000 -0.035 0.000 1.008 109 F HN 0.363 nan 8.300 nan 0.000 0.480 110 W N 0.686 122.081 121.300 0.160 0.000 2.363 110 W HA -0.197 4.463 4.660 -0.000 0.000 0.296 110 W C 2.372 178.891 176.519 0.001 0.000 1.212 110 W CA 1.436 58.815 57.345 0.056 0.000 1.260 110 W CB -0.498 28.973 29.460 0.018 0.000 1.131 110 W HN -0.030 nan 8.180 nan 0.000 0.530 111 D N 0.255 120.788 120.400 0.222 0.000 2.117 111 D HA -0.175 4.465 4.640 -0.000 0.000 0.197 111 D C 1.872 178.223 176.300 0.087 0.000 0.987 111 D CA 1.521 55.584 54.000 0.105 0.000 0.829 111 D CB -0.320 40.524 40.800 0.073 0.000 0.961 111 D HN 0.109 nan 8.370 nan 0.000 0.460 112 I N -0.036 120.598 120.570 0.107 0.000 2.202 112 I HA -0.200 3.970 4.170 -0.000 0.000 0.242 112 I C 2.367 178.512 176.117 0.047 0.000 1.091 112 I CA 0.481 61.832 61.300 0.084 0.000 1.368 112 I CB -0.222 37.849 38.000 0.119 0.000 1.058 112 I HN 0.094 nan 8.210 nan 0.000 0.410 113 L N 1.101 122.343 121.223 0.032 0.000 2.079 113 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 113 L C 2.253 179.129 176.870 0.010 0.000 1.081 113 L CA 2.240 57.071 54.840 -0.014 0.000 0.752 113 L CB -1.149 40.853 42.059 -0.094 0.000 0.896 113 L HN 0.206 nan 8.230 nan 0.000 0.433 114 G N -1.625 107.198 108.800 0.039 0.000 2.408 114 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 114 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 114 G C 1.466 176.361 174.900 -0.008 0.000 1.150 114 G CA 0.686 45.791 45.100 0.007 0.000 0.776 114 G HN 0.543 nan 8.290 nan 0.000 0.542 115 Q N 0.044 119.850 119.800 0.009 0.000 2.083 115 Q HA 0.115 4.455 4.340 -0.000 0.000 0.198 115 Q C 2.988 178.991 176.000 0.005 0.000 0.969 115 Q CA 1.068 56.877 55.803 0.010 0.000 0.838 115 Q CB -0.193 28.559 28.738 0.024 0.000 0.900 115 Q HN 0.457 nan 8.270 nan 0.000 0.436 116 A N 0.813 123.635 122.820 0.004 0.000 1.969 116 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 116 A C 2.181 179.760 177.584 -0.009 0.000 1.169 116 A CA 1.810 53.845 52.037 -0.002 0.000 0.635 116 A CB -0.647 18.349 19.000 -0.007 0.000 0.810 116 A HN 0.499 nan 8.150 nan 0.000 0.445 117 T N -4.445 110.101 114.554 -0.014 0.000 3.065 117 T HA 0.391 4.741 4.350 -0.000 0.000 0.252 117 T C 1.365 176.051 174.700 -0.023 0.000 1.099 117 T CA 1.006 63.095 62.100 -0.018 0.000 1.063 117 T CB -0.002 68.853 68.868 -0.021 0.000 0.948 117 T HN 1.661 nan 8.240 nan 0.000 0.506 118 G N 1.202 109.989 108.800 -0.023 0.000 2.176 118 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.252 118 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.252 118 G C -0.326 174.544 174.900 -0.051 0.000 1.024 118 G CA -0.153 44.931 45.100 -0.026 0.000 0.755 118 G HN 0.616 nan 8.290 nan 0.000 0.507 119 Q N -0.441 119.314 119.800 -0.075 0.000 2.397 119 Q HA 0.516 4.856 4.340 -0.000 0.000 0.275 119 Q C -2.516 173.366 176.000 -0.197 0.000 1.090 119 Q CA -1.863 53.850 55.803 -0.150 0.000 0.809 119 Q CB 2.969 31.616 28.738 -0.151 0.000 1.362 119 Q HN 0.268 nan 8.270 nan 0.000 0.431 120 P HA 0.071 nan 4.420 nan 0.000 0.272 120 P C 0.726 177.769 177.300 -0.428 0.000 1.230 120 P CA -0.193 62.689 63.100 -0.362 0.000 0.788 120 P CB 0.987 32.376 31.700 -0.518 0.000 0.949 121 V N 1.535 121.164 119.914 -0.474 0.000 2.490 121 V HA -0.202 3.917 4.120 -0.000 0.000 0.250 121 V C 2.353 178.397 176.094 -0.085 0.000 1.061 121 V CA 1.996 64.090 62.300 -0.343 0.000 1.064 121 V CB -1.461 30.019 31.823 -0.572 0.000 0.670 121 V HN 0.725 nan 8.190 nan 0.000 0.461 122 W N -0.592 120.836 121.300 0.214 0.000 2.374 122 W HA -0.261 4.399 4.660 -0.000 0.000 0.288 122 W C 2.127 178.717 176.519 0.119 0.000 1.218 122 W CA 1.416 58.876 57.345 0.191 0.000 1.245 122 W CB -0.984 28.608 29.460 0.221 0.000 1.126 122 W HN 0.321 nan 8.180 nan 0.000 0.545 123 M N 1.985 121.437 119.600 -0.248 0.000 2.175 123 M HA -0.037 4.443 4.480 -0.000 0.000 0.264 123 M C 2.024 178.344 176.300 0.033 0.000 1.063 123 M CA 1.780 56.979 55.300 -0.168 0.000 1.119 123 M CB -0.861 31.431 32.600 -0.512 0.000 1.377 123 M HN 0.015 nan 8.290 nan 0.000 0.415 124 L N -0.757 120.494 121.223 0.047 0.000 2.478 124 L HA -0.059 4.281 4.340 -0.000 0.000 0.223 124 L C 1.112 178.135 176.870 0.254 0.000 1.140 124 L CA -0.119 54.835 54.840 0.190 0.000 0.842 124 L CB -0.455 41.794 42.059 0.316 0.000 0.953 124 L HN 0.243 nan 8.230 nan 0.000 0.452 125 L N -0.626 120.693 121.223 0.160 0.000 2.607 125 L HA 0.284 4.624 4.340 -0.000 0.000 0.228 125 L C 1.468 178.435 176.870 0.161 0.000 1.123 125 L CA 0.889 55.803 54.840 0.123 0.000 0.890 125 L CB -0.308 41.785 42.059 0.058 0.000 1.103 125 L HN 0.315 nan 8.230 nan 0.000 0.468 126 G N -1.973 106.936 108.800 0.182 0.000 2.296 126 G HA2 0.138 4.098 3.960 -0.000 0.000 0.188 126 G HA3 0.138 4.098 3.960 -0.000 0.000 0.188 126 G C 0.630 175.651 174.900 0.203 0.000 1.000 126 G CA -0.267 44.932 45.100 0.165 0.000 0.672 126 G HN 0.849 nan 8.290 nan 0.000 0.483 127 G N -0.770 108.221 108.800 0.318 0.000 2.343 127 G HA2 0.402 4.362 3.960 -0.000 0.000 0.465 127 G HA3 0.402 4.362 3.960 -0.000 0.000 0.465 127 G C -0.766 174.349 174.900 0.357 0.000 1.282 127 G CA 0.149 45.515 45.100 0.443 0.000 0.996 127 G HN 0.893 nan 8.290 nan 0.000 0.521 128 K N 0.342 120.782 120.400 0.066 0.000 2.231 128 K HA 0.513 4.832 4.320 -0.000 0.000 0.275 128 K C 0.492 176.986 176.600 -0.177 0.000 1.105 128 K CA -0.648 55.411 56.287 -0.380 0.000 0.931 128 K CB 0.192 32.130 32.500 -0.938 0.000 1.296 128 K HN 0.230 nan 8.250 nan 0.000 0.446 129 L N 3.122 124.276 121.223 -0.115 0.000 2.585 129 L HA 0.189 4.529 4.340 -0.000 0.000 0.226 129 L C -0.025 176.785 176.870 -0.101 0.000 1.113 129 L CA 0.357 55.157 54.840 -0.068 0.000 0.876 129 L CB 0.460 42.508 42.059 -0.019 0.000 1.072 129 L HN 0.609 nan 8.230 nan 0.000 0.468 130 C N -0.309 118.896 119.300 -0.159 0.000 2.505 130 C HA 0.398 4.858 4.460 -0.000 0.000 0.342 130 C C -0.568 174.284 174.990 -0.229 0.000 1.121 130 C CA -1.036 57.879 59.018 -0.171 0.000 1.306 130 C CB 0.387 28.026 27.740 -0.167 0.000 1.897 130 C HN 0.185 nan 8.230 nan 0.000 0.446 131 D N 3.096 123.385 120.400 -0.185 0.000 2.468 131 D HA 0.501 5.141 4.640 -0.000 0.000 0.218 131 D C 0.523 176.685 176.300 -0.231 0.000 1.155 131 D CA 1.591 55.499 54.000 -0.152 0.000 0.924 131 D CB 0.322 41.094 40.800 -0.047 0.000 1.029 131 D HN 1.315 nan 8.370 nan 0.000 0.515 132 G N 2.573 111.022 108.800 -0.584 0.000 3.269 132 G HA2 0.159 4.119 3.960 -0.000 0.000 0.668 132 G HA3 0.159 4.119 3.960 -0.000 0.000 0.668 132 G C 0.064 174.651 174.900 -0.523 0.000 1.100 132 G CA -0.454 44.002 45.100 -1.074 0.000 0.940 132 G HN 0.654 nan 8.290 nan 0.000 0.438 133 A N 4.828 127.388 122.820 -0.432 0.000 2.450 133 A HA 0.750 5.070 4.320 -0.000 0.000 0.255 133 A C -1.201 176.265 177.584 -0.196 0.000 1.096 133 A CA -0.859 51.029 52.037 -0.247 0.000 0.778 133 A CB 0.233 19.122 19.000 -0.186 0.000 1.031 133 A HN 0.530 nan 8.150 nan 0.000 0.494 134 P HA 0.231 nan 4.420 nan 0.000 0.269 134 P C -0.291 176.992 177.300 -0.028 0.000 1.215 134 P CA 0.379 63.426 63.100 -0.089 0.000 0.780 134 P CB 0.459 32.122 31.700 -0.062 0.000 0.898 135 M N 1.873 121.480 119.600 0.011 0.000 2.716 135 M HA 0.493 4.973 4.480 -0.000 0.000 0.307 135 M C -0.604 175.789 176.300 0.156 0.000 1.223 135 M CA -0.829 54.519 55.300 0.080 0.000 0.871 135 M CB 1.795 34.469 32.600 0.124 0.000 1.739 135 M HN 0.365 nan 8.290 nan 0.000 0.475 136 Y N -1.435 118.883 120.300 0.029 0.000 2.587 136 Y HA 0.872 5.422 4.550 -0.000 0.000 0.337 136 Y C -1.098 174.683 175.900 -0.198 0.000 1.065 136 Y CA -1.328 56.718 58.100 -0.090 0.000 1.126 136 Y CB 1.093 39.519 38.460 -0.057 0.000 1.279 136 Y HN 0.405 nan 8.280 nan 0.000 0.489 137 R N 1.888 122.304 120.500 -0.140 0.000 2.562 137 R HA 0.502 4.842 4.340 -0.000 0.000 0.298 137 R C -0.611 175.817 176.300 0.212 0.000 0.961 137 R CA -1.038 54.924 56.100 -0.229 0.000 0.881 137 R CB 1.807 31.672 30.300 -0.725 0.000 1.159 137 R HN 0.882 nan 8.270 nan 0.000 0.450 138 V N 0.472 120.517 119.914 0.218 0.000 3.319 138 V HA 0.669 4.789 4.120 -0.000 0.000 0.303 138 V C 1.002 177.227 176.094 0.218 0.000 1.094 138 V CA 0.113 62.581 62.300 0.281 0.000 1.106 138 V CB 0.546 32.536 31.823 0.278 0.000 1.099 138 V HN 1.095 nan 8.190 nan 0.000 0.476 139 A N 2.310 125.238 122.820 0.180 0.000 5.949 139 A HA -0.094 4.226 4.320 -0.000 0.000 0.275 139 A C -2.185 175.458 177.584 0.098 0.000 2.055 139 A CA 0.730 52.844 52.037 0.128 0.000 0.713 139 A CB -3.247 15.831 19.000 0.129 0.000 1.146 139 A HN 1.238 nan 8.150 nan 0.000 0.370 140 P HA 0.495 nan 4.420 nan 0.000 0.282 140 P C -0.924 176.396 177.300 0.033 0.000 1.249 140 P CA -0.099 63.035 63.100 0.056 0.000 0.806 140 P CB 1.027 32.746 31.700 0.032 0.000 0.984 141 Q N 2.725 122.548 119.800 0.039 0.000 2.721 141 Q HA 0.254 4.594 4.340 -0.000 0.000 0.257 141 Q C -0.035 175.975 176.000 0.017 0.000 1.070 141 Q CA -0.370 55.449 55.803 0.026 0.000 0.910 141 Q CB 0.212 28.971 28.738 0.035 0.000 1.163 141 Q HN 0.492 nan 8.270 nan 0.000 0.501 142 R N -1.196 119.308 120.500 0.006 0.000 3.712 142 R HA 0.456 4.796 4.340 -0.000 0.000 0.250 142 R C -0.471 175.825 176.300 -0.008 0.000 1.123 142 R CA -0.791 55.309 56.100 0.000 0.000 0.904 142 R CB 0.189 30.490 30.300 0.002 0.000 1.585 142 R HN 0.142 nan 8.270 nan 0.000 0.418 143 S N -0.332 115.361 115.700 -0.011 0.000 2.584 143 S HA -0.033 4.437 4.470 -0.000 0.000 0.270 143 S C 0.939 175.527 174.600 -0.019 0.000 1.346 143 S CA -0.234 57.958 58.200 -0.014 0.000 1.018 143 S CB 0.823 64.015 63.200 -0.014 0.000 0.899 143 S HN 0.617 nan 8.310 nan 0.000 0.542 144 E N 1.963 122.151 120.200 -0.020 0.000 2.077 144 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 144 E C 1.963 178.548 176.600 -0.025 0.000 0.989 144 E CA 1.362 57.748 56.400 -0.023 0.000 0.800 144 E CB -0.387 29.301 29.700 -0.020 0.000 0.746 144 E HN 0.751 nan 8.360 nan 0.000 0.452 145 A N 0.789 123.596 122.820 -0.022 0.000 2.067 145 A HA -0.094 4.225 4.320 -0.000 0.000 0.217 145 A C 1.854 179.422 177.584 -0.026 0.000 1.156 145 A CA 0.848 52.872 52.037 -0.022 0.000 0.683 145 A CB -0.166 18.823 19.000 -0.018 0.000 0.808 145 A HN 0.220 nan 8.150 nan 0.000 0.455 146 E N -0.453 119.732 120.200 -0.026 0.000 2.170 146 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 146 E C 2.152 178.730 176.600 -0.037 0.000 0.981 146 E CA 1.372 57.755 56.400 -0.028 0.000 0.830 146 E CB -0.157 29.530 29.700 -0.021 0.000 0.775 146 E HN 0.813 nan 8.360 nan 0.000 0.470 147 T N -0.446 114.086 114.554 -0.038 0.000 2.857 147 T HA -0.095 4.255 4.350 -0.000 0.000 0.266 147 T C 1.976 176.634 174.700 -0.070 0.000 1.048 147 T CA 0.695 62.764 62.100 -0.051 0.000 1.139 147 T CB -0.105 68.733 68.868 -0.050 0.000 0.874 147 T HN -0.029 nan 8.240 nan 0.000 0.455 148 R N 1.091 121.557 120.500 -0.056 0.000 2.092 148 R HA 0.163 4.503 4.340 -0.000 0.000 0.231 148 R C 2.733 179.002 176.300 -0.051 0.000 1.119 148 R CA 1.245 57.313 56.100 -0.053 0.000 0.970 148 R CB -0.594 29.684 30.300 -0.036 0.000 0.864 148 R HN 0.511 nan 8.270 nan 0.000 0.440 149 A N 0.119 122.909 122.820 -0.049 0.000 1.929 149 A HA -0.150 4.169 4.320 -0.000 0.000 0.216 149 A C 1.950 179.488 177.584 -0.078 0.000 1.176 149 A CA 1.314 53.320 52.037 -0.051 0.000 0.628 149 A CB -0.347 18.627 19.000 -0.044 0.000 0.816 149 A HN 0.439 nan 8.150 nan 0.000 0.444 150 E N -0.244 119.898 120.200 -0.097 0.000 2.112 150 E HA -0.048 4.302 4.350 -0.000 0.000 0.190 150 E C 1.861 178.345 176.600 -0.192 0.000 0.979 150 E CA 0.527 56.828 56.400 -0.166 0.000 0.814 150 E CB -0.111 29.517 29.700 -0.119 0.000 0.762 150 E HN 0.621 nan 8.360 nan 0.000 0.460 151 L N 0.254 121.410 121.223 -0.112 0.000 2.141 151 L HA -0.092 4.248 4.340 -0.000 0.000 0.209 151 L C 2.542 179.425 176.870 0.023 0.000 1.094 151 L CA 0.857 55.636 54.840 -0.102 0.000 0.763 151 L CB -0.330 41.562 42.059 -0.278 0.000 0.908 151 L HN 0.175 nan 8.230 nan 0.000 0.437 152 A N -0.089 122.725 122.820 -0.010 0.000 2.015 152 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 152 A C 2.385 179.989 177.584 0.034 0.000 1.163 152 A CA 1.072 53.124 52.037 0.026 0.000 0.646 152 A CB -0.334 18.666 19.000 0.000 0.000 0.806 152 A HN 0.299 nan 8.150 nan 0.000 0.448 153 R N -1.375 119.106 120.500 -0.032 0.000 2.090 153 R HA -0.061 4.279 4.340 -0.000 0.000 0.228 153 R C 2.002 178.332 176.300 0.050 0.000 1.110 153 R CA 1.257 57.326 56.100 -0.052 0.000 0.973 153 R CB -0.370 29.828 30.300 -0.170 0.000 0.869 153 R HN 0.599 nan 8.270 nan 0.000 0.440 154 H N 0.059 119.237 119.070 0.181 0.000 2.395 154 H HA -0.030 4.526 4.556 -0.000 0.000 0.299 154 H C 2.048 177.610 175.328 0.391 0.000 1.070 154 H CA 1.110 57.358 56.048 0.334 0.000 1.356 154 H CB -0.065 29.931 29.762 0.390 0.000 1.401 154 H HN 0.126 nan 8.280 nan 0.000 0.524 155 R N 0.604 121.354 120.500 0.418 0.000 2.066 155 R HA -0.058 4.282 4.340 -0.000 0.000 0.232 155 R C 2.375 178.773 176.300 0.164 0.000 1.131 155 R CA 1.162 57.442 56.100 0.301 0.000 0.955 155 R CB -0.114 30.331 30.300 0.243 0.000 0.851 155 R HN 0.244 nan 8.270 nan 0.000 0.432 156 A N 0.414 123.310 122.820 0.126 0.000 1.972 156 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 156 A C 2.075 179.686 177.584 0.045 0.000 1.169 156 A CA 1.623 53.699 52.037 0.065 0.000 0.635 156 A CB -0.470 18.558 19.000 0.047 0.000 0.810 156 A HN 0.498 nan 8.150 nan 0.000 0.446 157 A N -2.161 120.715 122.820 0.093 0.000 2.251 157 A HA 0.437 4.757 4.320 -0.000 0.000 0.209 157 A C 1.626 179.124 177.584 -0.143 0.000 1.187 157 A CA 1.165 53.228 52.037 0.042 0.000 0.823 157 A CB -0.683 18.430 19.000 0.189 0.000 0.846 157 A HN 1.786 nan 8.150 nan 0.000 0.486 158 G N -2.405 106.316 108.800 -0.131 0.000 2.184 158 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.206 158 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.206 158 G C -0.083 174.611 174.900 -0.344 0.000 0.995 158 G CA -0.093 44.841 45.100 -0.278 0.000 0.651 158 G HN 0.387 nan 8.290 nan 0.000 0.511 159 Y N 0.561 120.857 120.300 -0.006 0.000 2.304 159 Y HA 0.693 5.242 4.550 -0.000 0.000 0.328 159 Y C 1.534 177.332 175.900 -0.170 0.000 1.123 159 Y CA -0.579 57.453 58.100 -0.114 0.000 1.218 159 Y CB 0.991 39.370 38.460 -0.135 0.000 1.207 159 Y HN -0.052 nan 8.280 nan 0.000 0.495 160 R N 0.885 121.286 120.500 -0.165 0.000 2.531 160 R HA 0.171 4.511 4.340 -0.000 0.000 0.316 160 R C -0.670 175.403 176.300 -0.379 0.000 0.955 160 R CA -0.026 55.969 56.100 -0.175 0.000 1.120 160 R CB 0.659 30.931 30.300 -0.047 0.000 1.361 160 R HN 0.761 nan 8.270 nan 0.000 0.534 161 Q N 0.131 119.584 119.800 -0.579 0.000 2.342 161 Q HA 0.576 4.916 4.340 -0.000 0.000 0.267 161 Q C -1.196 174.377 176.000 -0.711 0.000 1.038 161 Q CA -0.488 55.062 55.803 -0.422 0.000 0.832 161 Q CB 2.362 31.041 28.738 -0.098 0.000 1.323 161 Q HN -0.126 nan 8.270 nan 0.000 0.448 162 F N 0.519 120.547 119.950 0.130 0.000 2.581 162 F HA 0.269 4.796 4.527 -0.000 0.000 0.311 162 F C -0.276 175.570 175.800 0.077 0.000 1.113 162 F CA -0.839 57.233 58.000 0.120 0.000 0.935 162 F CB 2.116 41.173 39.000 0.096 0.000 1.232 162 F HN 0.354 nan 8.300 nan 0.000 0.445 163 Q N 4.135 124.093 119.800 0.264 0.000 2.398 163 Q HA 0.499 4.839 4.340 -0.000 0.000 0.251 163 Q C -0.996 175.081 176.000 0.129 0.000 0.999 163 Q CA -0.502 55.360 55.803 0.099 0.000 0.874 163 Q CB 0.906 29.621 28.738 -0.038 0.000 1.215 163 Q HN 0.697 nan 8.270 nan 0.000 0.470 164 I N 3.860 124.491 120.570 0.103 0.000 2.436 164 I HA 0.094 4.263 4.170 -0.000 0.000 0.289 164 I C 0.146 176.299 176.117 0.059 0.000 1.083 164 I CA -0.156 61.192 61.300 0.080 0.000 1.372 164 I CB 0.424 38.460 38.000 0.061 0.000 1.408 164 I HN 0.303 nan 8.210 nan 0.000 0.516 165 K N 6.767 127.198 120.400 0.052 0.000 2.310 165 K HA 0.405 4.724 4.320 -0.000 0.000 0.290 165 K C -0.434 176.179 176.600 0.022 0.000 1.077 165 K CA -0.222 56.079 56.287 0.023 0.000 0.922 165 K CB 0.558 33.071 32.500 0.021 0.000 1.057 165 K HN 0.523 nan 8.250 nan 0.000 0.479 166 V N -0.141 119.771 119.914 -0.003 0.000 3.084 166 V HA 0.893 5.013 4.120 -0.000 0.000 0.311 166 V C 0.671 176.691 176.094 -0.123 0.000 1.311 166 V CA -0.326 61.995 62.300 0.034 0.000 1.062 166 V CB 1.257 33.208 31.823 0.213 0.000 1.113 166 V HN 0.717 nan 8.190 nan 0.000 0.468 167 G N -1.208 107.520 108.800 -0.121 0.000 2.184 167 G HA2 0.063 4.022 3.960 -0.000 0.000 0.206 167 G HA3 0.063 4.022 3.960 -0.000 0.000 0.206 167 G C 0.594 175.413 174.900 -0.135 0.000 0.995 167 G CA 0.570 45.367 45.100 -0.506 0.000 0.651 167 G HN 1.902 nan 8.290 nan 0.000 0.511 168 A N -0.635 122.221 122.820 0.060 0.000 2.288 168 A HA 0.596 4.916 4.320 -0.000 0.000 0.216 168 A C 0.616 178.298 177.584 0.163 0.000 1.199 168 A CA 1.529 53.615 52.037 0.083 0.000 0.891 168 A CB 0.445 19.466 19.000 0.035 0.000 0.923 168 A HN 0.783 nan 8.150 nan 0.000 0.500 169 D N -0.817 119.732 120.400 0.249 0.000 2.296 169 D HA 0.087 4.727 4.640 -0.000 0.000 0.224 169 D C 0.788 177.187 176.300 0.165 0.000 1.324 169 D CA -0.547 53.560 54.000 0.177 0.000 0.940 169 D CB -0.275 40.536 40.800 0.018 0.000 1.492 169 D HN 0.281 nan 8.370 nan 0.000 0.531 170 W N 3.419 124.826 121.300 0.178 0.000 2.313 170 W HA -0.236 4.423 4.660 -0.000 0.000 0.293 170 W C 1.205 177.655 176.519 -0.114 0.000 1.216 170 W CA 1.186 58.456 57.345 -0.124 0.000 1.223 170 W CB -0.687 28.519 29.460 -0.424 0.000 1.138 170 W HN 0.500 nan 8.180 nan 0.000 0.535 171 Q N 1.487 120.618 119.800 -1.115 0.000 2.083 171 Q HA -0.168 4.172 4.340 -0.000 0.000 0.198 171 Q C 2.628 178.341 176.000 -0.477 0.000 0.969 171 Q CA 2.731 57.831 55.803 -1.171 0.000 0.838 171 Q CB -0.257 27.649 28.738 -1.387 0.000 0.900 171 Q HN 0.347 nan 8.270 nan 0.000 0.436 172 S N -0.180 115.331 115.700 -0.314 0.000 2.461 172 S HA -0.071 4.399 4.470 -0.000 0.000 0.228 172 S C 1.160 175.719 174.600 -0.070 0.000 1.005 172 S CA 0.853 58.961 58.200 -0.155 0.000 0.942 172 S CB -0.017 63.119 63.200 -0.107 0.000 0.776 172 S HN 0.296 nan 8.310 nan 0.000 0.514 173 D N 2.052 122.443 120.400 -0.015 0.000 2.144 173 D HA 0.059 4.699 4.640 -0.000 0.000 0.200 173 D C 1.796 178.106 176.300 0.017 0.000 0.978 173 D CA 0.805 54.862 54.000 0.095 0.000 0.833 173 D CB -0.360 40.644 40.800 0.341 0.000 0.961 173 D HN 0.436 nan 8.370 nan 0.000 0.470 174 I N 1.208 121.748 120.570 -0.050 0.000 2.208 174 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 174 I C 1.806 177.880 176.117 -0.071 0.000 1.097 174 I CA 1.116 62.376 61.300 -0.067 0.000 1.363 174 I CB -0.063 37.901 38.000 -0.061 0.000 1.051 174 I HN -0.117 nan 8.210 nan 0.000 0.413 175 D N 0.567 120.921 120.400 -0.076 0.000 2.097 175 D HA -0.143 4.497 4.640 -0.000 0.000 0.195 175 D C 2.328 178.597 176.300 -0.051 0.000 0.989 175 D CA 1.141 55.102 54.000 -0.064 0.000 0.827 175 D CB -0.251 40.506 40.800 -0.071 0.000 0.966 175 D HN 0.241 nan 8.370 nan 0.000 0.456 176 R N 0.117 120.593 120.500 -0.039 0.000 2.091 176 R HA -0.065 4.275 4.340 -0.000 0.000 0.238 176 R C 2.515 178.786 176.300 -0.049 0.000 1.136 176 R CA 0.845 56.929 56.100 -0.027 0.000 0.959 176 R CB -0.271 30.031 30.300 0.003 0.000 0.856 176 R HN 0.238 nan 8.270 nan 0.000 0.437 177 I N 0.035 120.554 120.570 -0.084 0.000 2.252 177 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 177 I C 2.329 178.366 176.117 -0.133 0.000 1.102 177 I CA 1.250 62.450 61.300 -0.167 0.000 1.385 177 I CB -0.186 37.611 38.000 -0.338 0.000 1.064 177 I HN 0.087 nan 8.210 nan 0.000 0.414 178 R N 0.512 120.954 120.500 -0.097 0.000 2.189 178 R HA -0.048 4.292 4.340 -0.000 0.000 0.223 178 R C 2.181 178.456 176.300 -0.042 0.000 1.092 178 R CA 1.176 57.240 56.100 -0.060 0.000 0.989 178 R CB -0.187 30.086 30.300 -0.046 0.000 0.876 178 R HN 0.378 nan 8.270 nan 0.000 0.457 179 A N -0.324 122.470 122.820 -0.044 0.000 1.997 179 A HA -0.077 4.243 4.320 -0.000 0.000 0.212 179 A C 2.173 179.736 177.584 -0.034 0.000 1.178 179 A CA 0.549 52.566 52.037 -0.034 0.000 0.698 179 A CB -0.415 18.566 19.000 -0.033 0.000 0.842 179 A HN 0.464 nan 8.150 nan 0.000 0.458 180 C N -0.475 118.802 119.300 -0.038 0.000 2.505 180 C HA 0.166 4.625 4.460 -0.000 0.000 0.279 180 C C 2.507 177.482 174.990 -0.026 0.000 1.316 180 C CA 0.873 59.868 59.018 -0.038 0.000 1.720 180 C CB -1.431 26.289 27.740 -0.033 0.000 2.050 180 C HN 0.550 nan 8.230 nan 0.000 0.493 181 L N 1.936 123.151 121.223 -0.014 0.000 2.042 181 L HA -0.041 4.299 4.340 -0.000 0.000 0.210 181 L C -0.275 176.609 176.870 0.023 0.000 1.076 181 L CA 1.746 56.598 54.840 0.020 0.000 0.749 181 L CB -1.881 40.196 42.059 0.030 0.000 0.893 181 L HN 0.367 nan 8.230 nan 0.000 0.432 182 P HA -0.064 nan 4.420 nan 0.000 0.242 182 P C 1.054 178.356 177.300 0.002 0.000 1.197 182 P CA 0.706 63.812 63.100 0.011 0.000 0.765 182 P CB 0.287 31.990 31.700 0.005 0.000 0.936 183 L N -0.831 120.385 121.223 -0.011 0.000 2.640 183 L HA 0.217 4.557 4.340 -0.000 0.000 0.230 183 L C 0.790 177.642 176.870 -0.031 0.000 1.123 183 L CA 0.195 55.018 54.840 -0.027 0.000 0.900 183 L CB -0.713 41.316 42.059 -0.051 0.000 1.146 183 L HN -0.054 nan 8.230 nan 0.000 0.484 184 L N -3.903 117.322 121.223 0.003 0.000 2.341 184 L HA 0.655 4.995 4.340 -0.000 0.000 0.267 184 L C 0.067 176.984 176.870 0.078 0.000 1.009 184 L CA -0.812 54.055 54.840 0.045 0.000 0.819 184 L CB 0.793 42.904 42.059 0.086 0.000 1.323 184 L HN -0.201 nan 8.230 nan 0.000 0.425 185 E N 1.043 121.305 120.200 0.103 0.000 2.392 185 E HA 0.170 4.520 4.350 -0.000 0.000 0.256 185 E C -1.849 174.803 176.600 0.086 0.000 1.145 185 E CA -1.510 54.941 56.400 0.086 0.000 0.929 185 E CB 0.240 29.993 29.700 0.089 0.000 0.998 185 E HN 0.512 nan 8.360 nan 0.000 0.442 186 P HA -0.047 nan 4.420 nan 0.000 0.222 186 P C 0.989 178.323 177.300 0.057 0.000 1.147 186 P CA 1.049 64.183 63.100 0.057 0.000 0.790 186 P CB 0.129 31.854 31.700 0.041 0.000 0.780 187 G N -0.779 108.057 108.800 0.060 0.000 3.181 187 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.219 187 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.219 187 G C 0.158 175.095 174.900 0.062 0.000 1.182 187 G CA -0.017 45.113 45.100 0.050 0.000 0.791 187 G HN 0.262 nan 8.290 nan 0.000 0.537 188 E N 0.389 120.646 120.200 0.095 0.000 2.238 188 E HA 0.390 4.740 4.350 -0.000 0.000 0.267 188 E C -0.566 176.114 176.600 0.134 0.000 0.887 188 E CA -0.829 55.649 56.400 0.130 0.000 0.769 188 E CB 1.771 31.617 29.700 0.244 0.000 1.187 188 E HN -0.091 nan 8.360 nan 0.000 0.416 189 K N 1.025 121.489 120.400 0.107 0.000 2.138 189 K HA 0.679 4.999 4.320 -0.000 0.000 0.263 189 K C -0.907 175.794 176.600 0.168 0.000 0.965 189 K CA -0.747 55.604 56.287 0.106 0.000 0.868 189 K CB 1.950 34.478 32.500 0.047 0.000 1.083 189 K HN 0.522 nan 8.250 nan 0.000 0.443 190 A N 4.181 127.112 122.820 0.185 0.000 2.343 190 A HA 0.580 4.900 4.320 -0.000 0.000 0.308 190 A C -0.276 177.424 177.584 0.192 0.000 1.092 190 A CA -0.917 51.246 52.037 0.210 0.000 0.751 190 A CB 0.718 19.851 19.000 0.222 0.000 1.203 190 A HN 0.724 nan 8.150 nan 0.000 0.452 191 M N 2.378 122.058 119.600 0.132 0.000 2.149 191 M HA 0.696 5.176 4.480 -0.000 0.000 0.342 191 M C -0.204 176.177 176.300 0.135 0.000 1.068 191 M CA -0.457 54.914 55.300 0.119 0.000 0.991 191 M CB 1.292 33.894 32.600 0.002 0.000 1.596 191 M HN 0.660 nan 8.290 nan 0.000 0.439 192 A N 2.905 125.869 122.820 0.240 0.000 2.527 192 A HA 0.319 4.639 4.320 -0.000 0.000 0.313 192 A C -0.578 177.092 177.584 0.143 0.000 1.410 192 A CA -0.349 51.811 52.037 0.206 0.000 1.060 192 A CB -0.201 18.976 19.000 0.294 0.000 1.137 192 A HN 0.792 nan 8.150 nan 0.000 0.542 193 D N 3.051 123.470 120.400 0.032 0.000 2.347 193 D HA 0.490 5.130 4.640 -0.000 0.000 0.235 193 D C 0.873 177.072 176.300 -0.168 0.000 1.149 193 D CA 0.328 54.297 54.000 -0.051 0.000 0.850 193 D CB 1.529 42.299 40.800 -0.049 0.000 1.061 193 D HN 0.394 nan 8.370 nan 0.000 0.487 194 A N 3.819 126.425 122.820 -0.356 0.000 2.178 194 A HA 0.054 4.374 4.320 -0.000 0.000 0.211 194 A C 0.794 178.110 177.584 -0.447 0.000 1.157 194 A CA 0.041 51.647 52.037 -0.718 0.000 0.780 194 A CB -0.586 17.465 19.000 -1.580 0.000 0.828 194 A HN 0.836 nan 8.150 nan 0.000 0.476 195 N N -0.172 118.378 118.700 -0.250 0.000 2.696 195 N HA -0.243 4.497 4.740 -0.000 0.000 0.256 195 N C -0.279 175.117 175.510 -0.190 0.000 1.031 195 N CA 0.658 53.622 53.050 -0.143 0.000 0.730 195 N CB -1.321 37.158 38.487 -0.013 0.000 0.894 195 N HN 0.653 nan 8.380 nan 0.000 0.544 196 Q N -3.859 115.816 119.800 -0.208 0.000 2.481 196 Q HA -0.259 4.081 4.340 -0.000 0.000 0.258 196 Q C 1.324 177.227 176.000 -0.161 0.000 0.961 196 Q CA 0.914 56.619 55.803 -0.163 0.000 1.121 196 Q CB -1.719 26.929 28.738 -0.151 0.000 1.503 196 Q HN 0.766 nan 8.270 nan 0.000 0.544 197 G N -0.873 107.753 108.800 -0.289 0.000 2.453 197 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.215 197 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.215 197 G C 0.112 174.955 174.900 -0.096 0.000 1.147 197 G CA -0.056 44.888 45.100 -0.260 0.000 0.802 197 G HN 0.227 nan 8.290 nan 0.000 0.535 198 W N 0.840 122.163 121.300 0.039 0.000 2.303 198 W HA 0.587 5.247 4.660 -0.000 0.000 0.334 198 W C 0.642 177.160 176.519 -0.002 0.000 1.197 198 W CA -1.568 55.800 57.345 0.039 0.000 1.262 198 W CB 0.482 29.971 29.460 0.048 0.000 1.153 198 W HN -0.125 nan 8.180 nan 0.000 0.596 199 R N 0.730 121.362 120.500 0.220 0.000 2.582 199 R HA 0.178 4.518 4.340 -0.000 0.000 0.271 199 R C 1.069 177.390 176.300 0.035 0.000 1.078 199 R CA -0.292 55.857 56.100 0.082 0.000 1.127 199 R CB 1.341 31.660 30.300 0.032 0.000 1.038 199 R HN 0.419 nan 8.270 nan 0.000 0.500 200 V N 3.038 122.953 119.914 0.002 0.000 2.392 200 V HA -0.257 3.862 4.120 -0.000 0.000 0.249 200 V C 1.519 177.559 176.094 -0.089 0.000 1.059 200 V CA 2.593 64.880 62.300 -0.022 0.000 1.051 200 V CB -0.425 31.382 31.823 -0.026 0.000 0.658 200 V HN 0.981 nan 8.190 nan 0.000 0.455 201 D N -0.762 119.558 120.400 -0.132 0.000 2.117 201 D HA -0.200 4.440 4.640 -0.000 0.000 0.198 201 D C 1.721 177.807 176.300 -0.358 0.000 0.982 201 D CA 1.522 55.399 54.000 -0.205 0.000 0.828 201 D CB -0.848 39.838 40.800 -0.190 0.000 0.967 201 D HN 0.439 nan 8.370 nan 0.000 0.464 202 N N 1.135 119.562 118.700 -0.456 0.000 2.216 202 N HA -0.000 4.740 4.740 -0.000 0.000 0.183 202 N C 1.931 177.054 175.510 -0.646 0.000 1.017 202 N CA 1.463 54.000 53.050 -0.855 0.000 0.861 202 N CB -0.418 37.538 38.487 -0.887 0.000 0.986 202 N HN 0.345 nan 8.380 nan 0.000 0.428 203 A N 0.922 123.538 122.820 -0.340 0.000 1.972 203 A HA -0.031 4.289 4.320 -0.000 0.000 0.219 203 A C 2.288 179.729 177.584 -0.238 0.000 1.169 203 A CA 0.810 52.685 52.037 -0.271 0.000 0.635 203 A CB -0.532 18.532 19.000 0.105 0.000 0.810 203 A HN 0.191 nan 8.150 nan 0.000 0.446 204 I N -0.989 119.456 120.570 -0.207 0.000 2.353 204 I HA -0.207 3.963 4.170 -0.000 0.000 0.248 204 I C 2.708 178.714 176.117 -0.185 0.000 1.119 204 I CA 0.908 62.112 61.300 -0.160 0.000 1.417 204 I CB -0.215 37.705 38.000 -0.133 0.000 1.078 204 I HN 0.268 nan 8.210 nan 0.000 0.421 205 R N 0.299 120.620 120.500 -0.298 0.000 2.091 205 R HA -0.202 4.138 4.340 -0.000 0.000 0.238 205 R C 2.345 178.572 176.300 -0.122 0.000 1.136 205 R CA 1.493 57.431 56.100 -0.270 0.000 0.959 205 R CB -0.632 29.311 30.300 -0.595 0.000 0.856 205 R HN 0.322 nan 8.270 nan 0.000 0.437 206 L N 0.600 121.717 121.223 -0.177 0.000 2.017 206 L HA -0.147 4.192 4.340 -0.000 0.000 0.208 206 L C 2.425 179.261 176.870 -0.056 0.000 1.073 206 L CA 1.808 56.574 54.840 -0.124 0.000 0.745 206 L CB -0.366 41.426 42.059 -0.446 0.000 0.894 206 L HN 0.151 nan 8.230 nan 0.000 0.432 207 A N -0.262 122.519 122.820 -0.065 0.000 1.902 207 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 207 A C 2.358 179.955 177.584 0.022 0.000 1.181 207 A CA 1.735 53.782 52.037 0.017 0.000 0.623 207 A CB -0.575 18.420 19.000 -0.008 0.000 0.818 207 A HN 0.501 nan 8.150 nan 0.000 0.443 208 R N -0.709 119.784 120.500 -0.012 0.000 2.115 208 R HA -0.031 4.308 4.340 -0.000 0.000 0.230 208 R C 2.307 178.618 176.300 0.019 0.000 1.111 208 R CA 1.080 57.178 56.100 -0.003 0.000 0.976 208 R CB -0.346 29.940 30.300 -0.023 0.000 0.870 208 R HN 0.508 nan 8.270 nan 0.000 0.445 209 A N 0.490 123.327 122.820 0.027 0.000 2.067 209 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 209 A C 1.706 179.317 177.584 0.045 0.000 1.156 209 A CA 1.466 53.526 52.037 0.038 0.000 0.683 209 A CB -0.097 18.935 19.000 0.053 0.000 0.808 209 A HN 0.405 nan 8.150 nan 0.000 0.455 210 T N -2.753 111.845 114.554 0.074 0.000 3.228 210 T HA 0.200 4.550 4.350 -0.000 0.000 0.278 210 T C 1.174 175.977 174.700 0.173 0.000 1.014 210 T CA 0.144 62.319 62.100 0.125 0.000 0.904 210 T CB -0.193 68.772 68.868 0.161 0.000 1.110 210 T HN 0.619 nan 8.240 nan 0.000 0.541 211 R N 1.910 122.469 120.500 0.097 0.000 2.237 211 R HA -0.035 4.305 4.340 -0.000 0.000 0.219 211 R C 1.110 177.448 176.300 0.063 0.000 1.080 211 R CA 1.552 57.692 56.100 0.067 0.000 0.995 211 R CB -0.614 29.705 30.300 0.032 0.000 0.875 211 R HN 0.472 nan 8.270 nan 0.000 0.462 212 D N 0.801 121.243 120.400 0.071 0.000 2.336 212 D HA 0.047 4.687 4.640 -0.000 0.000 0.228 212 D C 0.039 176.389 176.300 0.083 0.000 1.120 212 D CA 0.015 54.050 54.000 0.060 0.000 0.839 212 D CB 0.168 40.994 40.800 0.044 0.000 0.932 212 D HN 0.269 nan 8.370 nan 0.000 0.509 213 L N 0.473 121.777 121.223 0.136 0.000 2.362 213 L HA 0.307 4.647 4.340 -0.000 0.000 0.271 213 L C -0.661 176.342 176.870 0.222 0.000 1.002 213 L CA -1.098 53.860 54.840 0.196 0.000 0.818 213 L CB 2.383 44.594 42.059 0.254 0.000 1.298 213 L HN -0.250 nan 8.230 nan 0.000 0.420 214 D N 2.563 123.075 120.400 0.187 0.000 2.396 214 D HA 0.406 5.046 4.640 -0.000 0.000 0.225 214 D C -1.208 175.236 176.300 0.241 0.000 1.121 214 D CA 0.160 54.240 54.000 0.134 0.000 0.853 214 D CB 0.270 41.121 40.800 0.086 0.000 1.043 214 D HN 0.329 nan 8.370 nan 0.000 0.500 215 Y N 0.934 121.263 120.300 0.050 0.000 2.670 215 Y HA 0.551 5.100 4.550 -0.000 0.000 0.334 215 Y C -1.335 174.598 175.900 0.056 0.000 1.185 215 Y CA -1.464 56.672 58.100 0.059 0.000 1.053 215 Y CB 0.749 39.252 38.460 0.071 0.000 1.298 215 Y HN 0.048 nan 8.280 nan 0.000 0.459 216 I N 2.951 123.572 120.570 0.086 0.000 2.331 216 I HA 0.249 4.419 4.170 -0.000 0.000 0.292 216 I C -0.910 175.238 176.117 0.052 0.000 0.998 216 I CA -0.731 60.562 61.300 -0.012 0.000 1.267 216 I CB 1.468 39.492 38.000 0.040 0.000 1.386 216 I HN 0.503 nan 8.210 nan 0.000 0.476 217 L N 7.732 128.914 121.223 -0.068 0.000 2.295 217 L HA 0.322 4.662 4.340 -0.000 0.000 0.288 217 L C -0.046 176.888 176.870 0.107 0.000 1.079 217 L CA 0.282 55.175 54.840 0.089 0.000 0.830 217 L CB 0.420 42.485 42.059 0.010 0.000 1.200 217 L HN 0.571 nan 8.230 nan 0.000 0.438 218 E N 3.477 123.758 120.200 0.135 0.000 2.151 218 E HA 0.209 4.559 4.350 -0.000 0.000 0.275 218 E C -0.391 176.220 176.600 0.018 0.000 0.936 218 E CA -0.807 55.627 56.400 0.057 0.000 0.777 218 E CB 0.965 30.681 29.700 0.026 0.000 1.108 218 E HN 0.565 nan 8.360 nan 0.000 0.401 219 Q N 4.278 124.086 119.800 0.013 0.000 2.402 219 Q HA -0.169 4.170 4.340 -0.000 0.000 0.370 219 Q C -1.859 174.112 176.000 -0.047 0.000 1.334 219 Q CA 0.632 56.426 55.803 -0.015 0.000 1.151 219 Q CB -0.145 28.563 28.738 -0.050 0.000 1.324 219 Q HN 0.497 nan 8.270 nan 0.000 0.332 220 P HA -0.089 nan 4.420 nan 0.000 0.218 220 P C -0.025 177.332 177.300 0.094 0.000 1.149 220 P CA 0.916 64.111 63.100 0.158 0.000 0.817 220 P CB 0.344 32.289 31.700 0.408 0.000 0.785 221 C N -1.851 117.481 119.300 0.054 0.000 3.108 221 C HA 0.402 4.862 4.460 -0.000 0.000 0.321 221 C C 2.125 177.108 174.990 -0.012 0.000 1.357 221 C CA -0.745 58.295 59.018 0.037 0.000 1.562 221 C CB 2.062 29.838 27.740 0.060 0.000 2.003 221 C HN 0.095 nan 8.230 nan 0.000 0.460 222 R N 0.955 121.446 120.500 -0.016 0.000 2.064 222 R HA -0.044 4.296 4.340 -0.000 0.000 0.228 222 R C 1.030 177.324 176.300 -0.010 0.000 1.144 222 R CA 1.847 57.927 56.100 -0.034 0.000 0.932 222 R CB -0.363 29.918 30.300 -0.032 0.000 0.833 222 R HN 0.903 nan 8.270 nan 0.000 0.429 223 S N -1.243 114.463 115.700 0.010 0.000 2.632 223 S HA -0.008 4.461 4.470 -0.000 0.000 0.271 223 S C 0.701 175.348 174.600 0.077 0.000 1.260 223 S CA -0.729 57.497 58.200 0.044 0.000 1.010 223 S CB 0.900 64.122 63.200 0.037 0.000 0.965 223 S HN 0.362 nan 8.310 nan 0.000 0.534 224 Y N 1.713 122.007 120.300 -0.010 0.000 2.165 224 Y HA -0.142 4.408 4.550 -0.000 0.000 0.286 224 Y C 1.997 177.899 175.900 0.003 0.000 1.155 224 Y CA 2.310 60.410 58.100 -0.001 0.000 1.164 224 Y CB -0.565 37.897 38.460 0.002 0.000 0.978 224 Y HN 0.843 nan 8.280 nan 0.000 0.513 225 E N 0.113 120.278 120.200 -0.058 0.000 2.072 225 E HA -0.150 4.199 4.350 -0.000 0.000 0.190 225 E C 2.103 178.622 176.600 -0.135 0.000 0.982 225 E CA 1.468 57.782 56.400 -0.142 0.000 0.803 225 E CB -0.172 29.516 29.700 -0.020 0.000 0.755 225 E HN 0.584 nan 8.360 nan 0.000 0.453 226 E N -0.160 119.997 120.200 -0.071 0.000 2.085 226 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 226 E C 2.023 178.584 176.600 -0.066 0.000 0.994 226 E CA 1.259 57.629 56.400 -0.051 0.000 0.801 226 E CB -0.160 29.532 29.700 -0.013 0.000 0.743 226 E HN 0.292 nan 8.360 nan 0.000 0.453 227 C N 0.961 120.209 119.300 -0.086 0.000 2.429 227 C HA -0.111 4.349 4.460 -0.000 0.000 0.277 227 C C 2.567 177.468 174.990 -0.148 0.000 1.262 227 C CA 0.436 59.404 59.018 -0.083 0.000 1.733 227 C CB -0.646 27.060 27.740 -0.056 0.000 2.010 227 C HN 0.455 nan 8.230 nan 0.000 0.483 228 Q N 0.330 119.955 119.800 -0.292 0.000 2.167 228 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 228 Q C 2.068 177.978 176.000 -0.151 0.000 0.970 228 Q CA 1.231 56.870 55.803 -0.274 0.000 0.855 228 Q CB -0.631 27.854 28.738 -0.421 0.000 0.911 228 Q HN 0.767 nan 8.270 nan 0.000 0.438 229 Q N 0.199 119.923 119.800 -0.126 0.000 2.119 229 Q HA -0.096 4.244 4.340 -0.000 0.000 0.201 229 Q C 1.992 177.954 176.000 -0.063 0.000 0.972 229 Q CA 1.021 56.775 55.803 -0.081 0.000 0.847 229 Q CB 0.303 29.001 28.738 -0.068 0.000 0.903 229 Q HN 0.179 nan 8.270 nan 0.000 0.433 230 V N 0.712 120.594 119.914 -0.053 0.000 2.358 230 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 230 V C 2.404 178.477 176.094 -0.035 0.000 1.047 230 V CA 2.051 64.332 62.300 -0.031 0.000 1.035 230 V CB -0.629 31.201 31.823 0.011 0.000 0.658 230 V HN 0.365 nan 8.190 nan 0.000 0.452 231 R N 0.196 120.668 120.500 -0.046 0.000 2.159 231 R HA -0.188 4.151 4.340 -0.000 0.000 0.237 231 R C 2.475 178.750 176.300 -0.042 0.000 1.131 231 R CA 1.493 57.566 56.100 -0.044 0.000 0.982 231 R CB -0.321 29.944 30.300 -0.058 0.000 0.868 231 R HN 0.412 nan 8.270 nan 0.000 0.453 232 R N -0.142 120.329 120.500 -0.048 0.000 2.117 232 R HA -0.136 4.204 4.340 -0.000 0.000 0.243 232 R C 1.604 177.884 176.300 -0.034 0.000 1.143 232 R CA 1.840 57.916 56.100 -0.040 0.000 0.968 232 R CB 0.040 30.314 30.300 -0.043 0.000 0.863 232 R HN 0.191 nan 8.270 nan 0.000 0.444 233 V N 0.147 120.039 119.914 -0.036 0.000 2.672 233 V HA 0.192 4.312 4.120 -0.000 0.000 0.242 233 V C 0.805 176.882 176.094 -0.029 0.000 1.059 233 V CA 0.808 63.089 62.300 -0.033 0.000 1.081 233 V CB 0.189 31.988 31.823 -0.040 0.000 0.752 233 V HN 0.368 nan 8.190 nan 0.000 0.472 234 A N 0.302 123.104 122.820 -0.031 0.000 2.366 234 A HA 0.281 4.601 4.320 -0.000 0.000 0.272 234 A C 0.530 178.090 177.584 -0.041 0.000 1.135 234 A CA -0.094 51.924 52.037 -0.033 0.000 0.804 234 A CB 0.142 19.125 19.000 -0.028 0.000 1.064 234 A HN 0.347 nan 8.150 nan 0.000 0.499 235 D N 0.905 121.277 120.400 -0.047 0.000 2.346 235 D HA 0.075 4.715 4.640 -0.000 0.000 0.206 235 D C 0.303 176.557 176.300 -0.076 0.000 1.001 235 D CA 0.689 54.660 54.000 -0.048 0.000 0.871 235 D CB 0.089 40.869 40.800 -0.034 0.000 0.943 235 D HN 0.672 nan 8.370 nan 0.000 0.518 236 Q N 1.276 120.999 119.800 -0.130 0.000 2.349 236 Q HA 0.139 4.479 4.340 -0.000 0.000 0.287 236 Q C -2.282 173.626 176.000 -0.153 0.000 1.044 236 Q CA -0.661 55.009 55.803 -0.221 0.000 0.918 236 Q CB 0.140 28.593 28.738 -0.474 0.000 1.242 236 Q HN 0.011 nan 8.270 nan 0.000 0.405 237 P HA -0.080 nan 4.420 nan 0.000 0.263 237 P C -0.949 176.313 177.300 -0.063 0.000 1.195 237 P CA 0.474 63.532 63.100 -0.069 0.000 0.762 237 P CB 0.437 32.108 31.700 -0.047 0.000 0.799 238 M N 3.644 123.228 119.600 -0.027 0.000 2.363 238 M HA 0.310 4.790 4.480 -0.000 0.000 0.343 238 M C -0.117 176.195 176.300 0.020 0.000 1.165 238 M CA -0.522 54.776 55.300 -0.003 0.000 1.046 238 M CB 1.085 33.690 32.600 0.008 0.000 1.648 238 M HN 0.106 nan 8.290 nan 0.000 0.452 239 K N 5.367 125.784 120.400 0.029 0.000 2.413 239 K HA 0.553 4.873 4.320 -0.000 0.000 0.257 239 K C -1.912 174.714 176.600 0.043 0.000 0.946 239 K CA -0.550 55.757 56.287 0.034 0.000 0.823 239 K CB 1.226 33.739 32.500 0.022 0.000 1.109 239 K HN 0.747 nan 8.250 nan 0.000 0.427 240 L N 3.820 125.077 121.223 0.056 0.000 2.309 240 L HA 0.329 4.669 4.340 -0.000 0.000 0.282 240 L C 0.209 177.108 176.870 0.048 0.000 1.036 240 L CA -0.355 54.525 54.840 0.066 0.000 0.806 240 L CB 1.483 43.609 42.059 0.111 0.000 1.220 240 L HN 0.856 nan 8.230 nan 0.000 0.429 241 D N 0.430 120.848 120.400 0.030 0.000 2.973 241 D HA -0.004 4.636 4.640 -0.000 0.000 0.187 241 D C 1.246 177.545 176.300 -0.001 0.000 1.467 241 D CA 0.184 54.197 54.000 0.023 0.000 1.515 241 D CB 0.343 41.153 40.800 0.016 0.000 1.182 241 D HN 0.485 nan 8.370 nan 0.000 0.213 242 E N 0.039 120.203 120.200 -0.059 0.000 2.265 242 E HA -0.073 4.277 4.350 -0.000 0.000 0.196 242 E C 2.062 178.615 176.600 -0.078 0.000 0.996 242 E CA 0.963 57.291 56.400 -0.120 0.000 0.832 242 E CB -0.301 29.222 29.700 -0.294 0.000 0.756 242 E HN 0.467 nan 8.360 nan 0.000 0.491 243 C N -1.221 118.058 119.300 -0.036 0.000 2.539 243 C HA 0.189 4.648 4.460 -0.000 0.000 0.268 243 C C 1.032 176.011 174.990 -0.017 0.000 1.395 243 C CA -0.773 58.240 59.018 -0.009 0.000 1.757 243 C CB -0.776 26.995 27.740 0.052 0.000 1.851 243 C HN -0.059 nan 8.230 nan 0.000 0.545 244 V N 3.613 123.522 119.914 -0.009 0.000 2.287 244 V HA 0.179 4.299 4.120 -0.000 0.000 0.246 244 V C 1.489 177.572 176.094 -0.017 0.000 1.165 244 V CA 1.324 63.616 62.300 -0.013 0.000 1.088 244 V CB -0.644 31.190 31.823 0.018 0.000 1.242 244 V HN 0.754 nan 8.190 nan 0.000 0.497 245 T N -0.195 114.336 114.554 -0.039 0.000 3.054 245 T HA 0.567 4.917 4.350 -0.000 0.000 0.255 245 T C 0.733 175.396 174.700 -0.063 0.000 1.035 245 T CA 0.359 62.433 62.100 -0.043 0.000 0.941 245 T CB 0.706 69.546 68.868 -0.046 0.000 1.026 245 T HN 0.967 nan 8.240 nan 0.000 0.533 246 G N 0.553 109.306 108.800 -0.078 0.000 2.317 246 G HA2 0.360 4.320 3.960 -0.000 0.000 0.293 246 G HA3 0.360 4.320 3.960 -0.000 0.000 0.293 246 G C -0.314 174.485 174.900 -0.169 0.000 1.287 246 G CA -0.302 44.720 45.100 -0.131 0.000 0.850 246 G HN 0.119 nan 8.290 nan 0.000 0.515 247 L N -0.093 120.955 121.223 -0.292 0.000 2.093 247 L HA 0.128 4.468 4.340 -0.000 0.000 0.208 247 L C 2.470 179.153 176.870 -0.312 0.000 1.085 247 L CA 2.177 56.801 54.840 -0.359 0.000 0.755 247 L CB -0.542 41.243 42.059 -0.456 0.000 0.904 247 L HN 0.635 nan 8.230 nan 0.000 0.435 248 H N -1.803 117.163 119.070 -0.173 0.000 2.495 248 H HA -0.063 4.493 4.556 -0.000 0.000 0.287 248 H C 2.011 177.251 175.328 -0.145 0.000 1.033 248 H CA 1.546 57.501 56.048 -0.155 0.000 1.307 248 H CB -0.234 29.459 29.762 -0.115 0.000 1.401 248 H HN 0.350 nan 8.280 nan 0.000 0.555 249 M N 0.683 120.252 119.600 -0.051 0.000 2.193 249 M HA 0.140 4.620 4.480 -0.000 0.000 0.265 249 M C 2.404 178.628 176.300 -0.128 0.000 1.071 249 M CA 1.291 56.511 55.300 -0.133 0.000 1.140 249 M CB -0.364 32.155 32.600 -0.136 0.000 1.369 249 M HN 0.137 nan 8.290 nan 0.000 0.423 250 A N -0.215 122.570 122.820 -0.058 0.000 1.948 250 A HA -0.272 4.048 4.320 -0.000 0.000 0.220 250 A C 2.073 179.782 177.584 0.208 0.000 1.177 250 A CA 2.156 54.236 52.037 0.072 0.000 0.636 250 A CB -0.898 18.182 19.000 0.134 0.000 0.815 250 A HN 0.714 nan 8.150 nan 0.000 0.449 251 Q N -1.306 118.528 119.800 0.057 0.000 2.050 251 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 251 Q C 2.421 178.483 176.000 0.102 0.000 0.980 251 Q CA 1.671 57.547 55.803 0.122 0.000 0.840 251 Q CB -0.166 28.542 28.738 -0.049 0.000 0.898 251 Q HN 0.687 nan 8.270 nan 0.000 0.424 252 R N 0.445 120.941 120.500 -0.006 0.000 2.092 252 R HA -0.093 4.247 4.340 -0.000 0.000 0.231 252 R C 2.100 178.375 176.300 -0.042 0.000 1.119 252 R CA 0.956 57.028 56.100 -0.047 0.000 0.970 252 R CB -0.086 30.124 30.300 -0.150 0.000 0.864 252 R HN 0.231 nan 8.270 nan 0.000 0.440 253 I N -0.130 120.380 120.570 -0.101 0.000 2.179 253 I HA -0.267 3.903 4.170 -0.000 0.000 0.242 253 I C 2.146 178.312 176.117 0.082 0.000 1.088 253 I CA 1.015 62.317 61.300 0.003 0.000 1.357 253 I CB -0.132 37.862 38.000 -0.009 0.000 1.051 253 I HN 0.021 nan 8.210 nan 0.000 0.409 254 V N 0.905 120.870 119.914 0.085 0.000 2.343 254 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 254 V C 2.685 178.816 176.094 0.062 0.000 1.051 254 V CA 1.974 64.309 62.300 0.059 0.000 1.036 254 V CB -0.956 30.894 31.823 0.045 0.000 0.654 254 V HN 0.500 nan 8.190 nan 0.000 0.451 255 A N -0.261 122.609 122.820 0.084 0.000 1.933 255 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 255 A C 1.881 179.507 177.584 0.071 0.000 1.175 255 A CA 2.027 54.107 52.037 0.071 0.000 0.628 255 A CB -0.469 18.574 19.000 0.071 0.000 0.814 255 A HN 0.555 nan 8.150 nan 0.000 0.444 256 D N -1.065 119.394 120.400 0.098 0.000 2.348 256 D HA 0.025 4.665 4.640 -0.000 0.000 0.211 256 D C 0.045 176.396 176.300 0.086 0.000 0.998 256 D CA 0.140 54.206 54.000 0.110 0.000 0.873 256 D CB -0.051 40.867 40.800 0.196 0.000 0.925 256 D HN 0.097 nan 8.370 nan 0.000 0.524 257 R N 0.086 120.630 120.500 0.074 0.000 3.251 257 R HA -0.149 4.191 4.340 -0.000 0.000 0.249 257 R C 1.001 177.345 176.300 0.073 0.000 0.949 257 R CA 0.662 56.796 56.100 0.056 0.000 0.645 257 R CB -2.802 27.517 30.300 0.032 0.000 1.065 257 R HN 0.276 nan 8.270 nan 0.000 0.452 258 G N -1.110 107.766 108.800 0.126 0.000 3.233 258 G HA2 0.435 4.395 3.960 -0.000 0.000 0.227 258 G HA3 0.435 4.395 3.960 -0.000 0.000 0.227 258 G C 0.235 175.217 174.900 0.136 0.000 1.175 258 G CA 0.613 45.807 45.100 0.158 0.000 0.781 258 G HN 0.650 nan 8.290 nan 0.000 0.542 259 A N -0.714 122.165 122.820 0.097 0.000 2.612 259 A HA 0.683 5.003 4.320 -0.000 0.000 0.293 259 A C -0.100 177.512 177.584 0.046 0.000 1.075 259 A CA -0.466 51.615 52.037 0.073 0.000 0.680 259 A CB 0.997 20.052 19.000 0.092 0.000 1.279 259 A HN -0.043 nan 8.150 nan 0.000 0.411 260 E N -0.151 120.069 120.200 0.034 0.000 2.415 260 E HA 0.362 4.712 4.350 -0.000 0.000 0.197 260 E C -0.412 176.210 176.600 0.036 0.000 1.007 260 E CA 0.901 57.319 56.400 0.029 0.000 0.890 260 E CB 0.299 30.008 29.700 0.015 0.000 0.891 260 E HN 0.574 nan 8.360 nan 0.000 0.496 261 I N -0.443 120.149 120.570 0.036 0.000 2.692 261 I HA 0.262 4.432 4.170 -0.000 0.000 0.293 261 I C -1.159 174.983 176.117 0.041 0.000 1.200 261 I CA -0.786 60.536 61.300 0.038 0.000 1.036 261 I CB 2.281 40.300 38.000 0.031 0.000 1.258 261 I HN -0.190 nan 8.210 nan 0.000 0.421 262 C N 4.373 123.697 119.300 0.041 0.000 2.298 262 C HA 0.417 4.877 4.460 -0.000 0.000 0.323 262 C C 0.357 175.380 174.990 0.055 0.000 1.284 262 C CA -0.754 58.293 59.018 0.048 0.000 1.577 262 C CB 0.606 28.375 27.740 0.048 0.000 2.249 262 C HN 0.863 nan 8.230 nan 0.000 0.497 263 C N 6.200 125.536 119.300 0.060 0.000 2.415 263 C HA 0.582 5.042 4.460 -0.000 0.000 0.369 263 C C -0.096 174.958 174.990 0.106 0.000 1.279 263 C CA -0.324 58.740 59.018 0.077 0.000 1.886 263 C CB -1.367 26.414 27.740 0.068 0.000 2.468 263 C HN 0.833 nan 8.230 nan 0.000 0.553 264 L N 7.394 128.709 121.223 0.153 0.000 2.301 264 L HA 0.414 4.754 4.340 -0.000 0.000 0.278 264 L C 0.033 177.059 176.870 0.259 0.000 1.022 264 L CA -0.098 54.873 54.840 0.218 0.000 0.854 264 L CB 0.428 42.680 42.059 0.320 0.000 1.226 264 L HN 0.625 nan 8.230 nan 0.000 0.429 265 K N 3.371 123.873 120.400 0.170 0.000 2.234 265 K HA 0.351 4.670 4.320 -0.000 0.000 0.277 265 K C 1.018 177.665 176.600 0.079 0.000 1.038 265 K CA -0.435 55.947 56.287 0.158 0.000 0.888 265 K CB 2.310 34.914 32.500 0.174 0.000 1.091 265 K HN 0.527 nan 8.250 nan 0.000 0.467 266 I N 1.413 121.995 120.570 0.021 0.000 2.151 266 I HA -0.395 3.775 4.170 -0.000 0.000 0.243 266 I C 2.330 178.419 176.117 -0.046 0.000 1.080 266 I CA 1.904 63.129 61.300 -0.124 0.000 1.339 266 I CB -0.238 37.654 38.000 -0.180 0.000 1.039 266 I HN 0.660 nan 8.210 nan 0.000 0.409 267 S N 0.058 115.791 115.700 0.056 0.000 2.461 267 S HA -0.107 4.363 4.470 -0.000 0.000 0.228 267 S C 1.729 176.330 174.600 0.003 0.000 1.005 267 S CA 0.970 59.194 58.200 0.039 0.000 0.942 267 S CB -0.403 62.913 63.200 0.194 0.000 0.776 267 S HN 0.393 nan 8.310 nan 0.000 0.514 268 N N 1.635 120.366 118.700 0.052 0.000 2.331 268 N HA 0.142 4.882 4.740 -0.000 0.000 0.180 268 N C 1.324 176.827 175.510 -0.011 0.000 1.019 268 N CA 0.883 53.950 53.050 0.029 0.000 0.881 268 N CB -0.531 37.991 38.487 0.058 0.000 0.972 268 N HN 0.488 nan 8.380 nan 0.000 0.435 269 L N -1.264 119.946 121.223 -0.022 0.000 2.591 269 L HA 0.266 4.606 4.340 -0.000 0.000 0.228 269 L C 1.117 177.945 176.870 -0.071 0.000 1.133 269 L CA 0.473 55.284 54.840 -0.048 0.000 0.880 269 L CB -0.104 41.926 42.059 -0.049 0.000 1.033 269 L HN 0.308 nan 8.230 nan 0.000 0.450 270 G N -0.460 108.295 108.800 -0.075 0.000 2.134 270 G HA2 0.018 3.978 3.960 -0.000 0.000 0.209 270 G HA3 0.018 3.978 3.960 -0.000 0.000 0.209 270 G C 0.469 175.319 174.900 -0.083 0.000 0.993 270 G CA -0.168 44.873 45.100 -0.097 0.000 0.669 270 G HN 0.830 nan 8.290 nan 0.000 0.519 271 G N -2.047 106.706 108.800 -0.077 0.000 2.440 271 G HA2 0.257 4.217 3.960 -0.000 0.000 0.684 271 G HA3 0.257 4.217 3.960 -0.000 0.000 0.684 271 G C 0.380 175.217 174.900 -0.105 0.000 1.309 271 G CA -0.051 45.017 45.100 -0.053 0.000 0.931 271 G HN 1.450 nan 8.290 nan 0.000 0.612 272 L N 0.800 121.953 121.223 -0.117 0.000 2.131 272 L HA 0.063 4.403 4.340 -0.000 0.000 0.210 272 L C 2.800 179.575 176.870 -0.158 0.000 1.092 272 L CA 3.252 57.915 54.840 -0.295 0.000 0.759 272 L CB -0.730 41.078 42.059 -0.419 0.000 0.903 272 L HN 0.697 nan 8.230 nan 0.000 0.435 273 S N -0.530 115.271 115.700 0.168 0.000 2.348 273 S HA -0.190 4.280 4.470 -0.000 0.000 0.221 273 S C 1.921 176.592 174.600 0.117 0.000 1.033 273 S CA 1.596 59.980 58.200 0.306 0.000 1.010 273 S CB -0.171 63.245 63.200 0.361 0.000 0.891 273 S HN 0.469 nan 8.310 nan 0.000 0.442 274 K N 1.074 121.496 120.400 0.037 0.000 2.103 274 K HA 0.131 4.451 4.320 -0.000 0.000 0.204 274 K C 2.364 178.946 176.600 -0.030 0.000 1.052 274 K CA 0.893 57.174 56.287 -0.009 0.000 0.945 274 K CB -0.248 32.226 32.500 -0.044 0.000 0.722 274 K HN 0.302 nan 8.250 nan 0.000 0.443 275 A N 1.976 124.731 122.820 -0.109 0.000 1.902 275 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 275 A C 2.124 179.723 177.584 0.026 0.000 1.181 275 A CA 1.285 53.215 52.037 -0.178 0.000 0.623 275 A CB -0.431 18.216 19.000 -0.588 0.000 0.818 275 A HN 0.142 nan 8.150 nan 0.000 0.443 276 R N 0.046 120.559 120.500 0.021 0.000 2.081 276 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 276 R C 2.201 178.612 176.300 0.185 0.000 1.131 276 R CA 1.619 57.853 56.100 0.223 0.000 0.960 276 R CB -0.421 29.934 30.300 0.092 0.000 0.856 276 R HN 0.566 nan 8.270 nan 0.000 0.436 277 R N -0.491 120.083 120.500 0.122 0.000 2.075 277 R HA -0.045 4.295 4.340 -0.000 0.000 0.232 277 R C 2.292 178.667 176.300 0.124 0.000 1.126 277 R CA 1.910 58.075 56.100 0.108 0.000 0.963 277 R CB -0.398 29.940 30.300 0.063 0.000 0.858 277 R HN 0.273 nan 8.270 nan 0.000 0.435 278 T N 0.832 115.448 114.554 0.104 0.000 2.746 278 T HA -0.157 4.193 4.350 -0.000 0.000 0.267 278 T C 1.792 176.612 174.700 0.201 0.000 1.039 278 T CA 1.147 63.327 62.100 0.134 0.000 1.142 278 T CB -0.159 68.756 68.868 0.078 0.000 0.866 278 T HN 0.284 nan 8.240 nan 0.000 0.444 279 R N 0.987 121.613 120.500 0.210 0.000 2.073 279 R HA -0.146 4.194 4.340 -0.000 0.000 0.234 279 R C 1.827 178.175 176.300 0.080 0.000 1.134 279 R CA 1.873 58.063 56.100 0.150 0.000 0.952 279 R CB -0.355 30.049 30.300 0.173 0.000 0.850 279 R HN 0.265 nan 8.270 nan 0.000 0.433 280 D N -0.038 120.431 120.400 0.114 0.000 2.117 280 D HA -0.183 4.457 4.640 -0.000 0.000 0.197 280 D C 1.564 177.907 176.300 0.072 0.000 0.987 280 D CA 1.056 55.103 54.000 0.078 0.000 0.829 280 D CB -0.370 40.494 40.800 0.107 0.000 0.961 280 D HN 0.217 nan 8.370 nan 0.000 0.460 281 F N 1.128 121.070 119.950 -0.013 0.000 2.102 281 F HA -0.115 4.412 4.527 -0.000 0.000 0.298 281 F C 2.046 177.810 175.800 -0.061 0.000 1.105 281 F CA 1.175 59.158 58.000 -0.028 0.000 1.239 281 F CB -0.270 38.720 39.000 -0.016 0.000 0.991 281 F HN -0.111 nan 8.300 nan 0.000 0.474 282 L N -0.400 120.751 121.223 -0.120 0.000 2.156 282 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 282 L C 2.390 179.045 176.870 -0.359 0.000 1.095 282 L CA 0.253 54.938 54.840 -0.259 0.000 0.770 282 L CB -0.637 41.382 42.059 -0.066 0.000 0.914 282 L HN 0.140 nan 8.230 nan 0.000 0.439 283 I N 0.120 120.503 120.570 -0.312 0.000 2.179 283 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 283 I C 2.071 177.909 176.117 -0.465 0.000 1.088 283 I CA 1.512 62.536 61.300 -0.461 0.000 1.357 283 I CB -1.084 36.768 38.000 -0.246 0.000 1.051 283 I HN 0.274 nan 8.210 nan 0.000 0.409 284 D N 0.668 120.886 120.400 -0.304 0.000 2.263 284 D HA -0.133 4.507 4.640 -0.000 0.000 0.208 284 D C 1.485 177.604 176.300 -0.301 0.000 0.971 284 D CA 0.786 54.638 54.000 -0.245 0.000 0.867 284 D CB -0.247 40.455 40.800 -0.164 0.000 0.929 284 D HN 0.381 nan 8.370 nan 0.000 0.492 285 N N 0.434 118.883 118.700 -0.418 0.000 2.270 285 N HA 0.063 4.803 4.740 -0.000 0.000 0.198 285 N C -0.257 175.066 175.510 -0.311 0.000 1.117 285 N CA -0.036 52.792 53.050 -0.370 0.000 0.845 285 N CB 0.555 38.746 38.487 -0.492 0.000 0.980 285 N HN 0.129 nan 8.380 nan 0.000 0.486 286 R N -0.247 119.985 120.500 -0.447 0.000 3.422 286 R HA -0.188 4.152 4.340 -0.000 0.000 0.267 286 R C -0.358 175.744 176.300 -0.331 0.000 1.074 286 R CA 0.305 56.088 56.100 -0.529 0.000 0.718 286 R CB -1.945 28.308 30.300 -0.078 0.000 1.157 286 R HN 0.166 nan 8.270 nan 0.000 0.440 287 M N 1.154 120.513 119.600 -0.402 0.000 2.129 287 M HA 0.393 4.873 4.480 -0.000 0.000 0.348 287 M C -2.356 173.876 176.300 -0.115 0.000 1.116 287 M CA -2.266 52.933 55.300 -0.168 0.000 1.022 287 M CB 1.136 33.653 32.600 -0.139 0.000 1.599 287 M HN -0.227 nan 8.290 nan 0.000 0.449 288 P HA 0.201 nan 4.420 nan 0.000 0.269 288 P C -1.385 175.954 177.300 0.066 0.000 1.209 288 P CA -0.361 62.848 63.100 0.182 0.000 0.776 288 P CB 0.425 32.223 31.700 0.164 0.000 0.876 289 V N 0.371 120.318 119.914 0.055 0.000 3.007 289 V HA 0.641 4.761 4.120 -0.000 0.000 0.311 289 V C -0.746 175.353 176.094 0.008 0.000 1.120 289 V CA -1.009 61.301 62.300 0.017 0.000 0.980 289 V CB 2.230 34.041 31.823 -0.020 0.000 1.033 289 V HN 0.146 nan 8.190 nan 0.000 0.429 290 V N 2.399 122.326 119.914 0.021 0.000 2.435 290 V HA 0.822 4.942 4.120 -0.000 0.000 0.290 290 V C 0.578 176.694 176.094 0.037 0.000 1.030 290 V CA 0.108 62.426 62.300 0.030 0.000 0.881 290 V CB 1.541 33.398 31.823 0.057 0.000 0.983 290 V HN 1.375 nan 8.190 nan 0.000 0.445 291 A N 5.359 128.176 122.820 -0.005 0.000 2.256 291 A HA 0.817 5.137 4.320 -0.000 0.000 0.317 291 A C 0.022 177.717 177.584 0.185 0.000 1.318 291 A CA -0.387 51.651 52.037 0.003 0.000 0.894 291 A CB 0.338 19.112 19.000 -0.377 0.000 1.165 291 A HN 0.985 nan 8.150 nan 0.000 0.525 292 E N 1.460 121.841 120.200 0.301 0.000 2.233 292 E HA 0.703 5.053 4.350 -0.000 0.000 0.223 292 E C -1.465 175.273 176.600 0.230 0.000 1.048 292 E CA -0.783 55.763 56.400 0.243 0.000 0.883 292 E CB 0.775 30.601 29.700 0.208 0.000 1.925 292 E HN 0.342 nan 8.360 nan 0.000 0.460 293 D N -1.416 119.098 120.400 0.190 0.000 2.759 293 D HA 0.265 4.905 4.640 -0.000 0.000 0.321 293 D C 0.433 176.862 176.300 0.216 0.000 1.267 293 D CA 0.331 54.443 54.000 0.186 0.000 0.933 293 D CB 1.841 42.736 40.800 0.158 0.000 1.431 293 D HN 0.390 nan 8.370 nan 0.000 0.504 294 S N -0.419 115.432 115.700 0.252 0.000 2.345 294 S HA 0.051 4.521 4.470 -0.000 0.000 0.220 294 S C 0.911 175.697 174.600 0.310 0.000 1.031 294 S CA 0.435 58.793 58.200 0.263 0.000 0.996 294 S CB 0.374 63.748 63.200 0.292 0.000 0.882 294 S HN 0.607 nan 8.310 nan 0.000 0.445 295 W N -0.348 120.925 121.300 -0.043 0.000 2.926 295 W HA 0.440 5.100 4.660 -0.000 0.000 0.361 295 W C -0.702 175.791 176.519 -0.043 0.000 1.195 295 W CA -0.230 57.067 57.345 -0.079 0.000 1.177 295 W CB 0.929 30.293 29.460 -0.160 0.000 1.453 295 W HN 0.702 nan 8.180 nan 0.000 0.571 296 G N 0.347 108.970 108.800 -0.294 0.000 2.359 296 G HA2 0.372 4.332 3.960 -0.000 0.000 0.303 296 G HA3 0.372 4.332 3.960 -0.000 0.000 0.303 296 G C -0.761 174.020 174.900 -0.198 0.000 1.293 296 G CA -0.181 44.830 45.100 -0.149 0.000 0.964 296 G HN 0.998 nan 8.290 nan 0.000 0.531 297 G N -1.262 107.478 108.800 -0.100 0.000 2.773 297 G HA2 0.528 4.488 3.960 -0.000 0.000 0.186 297 G HA3 0.528 4.488 3.960 -0.000 0.000 0.186 297 G C 0.730 175.590 174.900 -0.067 0.000 1.411 297 G CA 0.770 45.816 45.100 -0.089 0.000 1.054 297 G HN 0.695 nan 8.290 nan 0.000 0.579 298 E N -0.639 119.527 120.200 -0.058 0.000 2.153 298 E HA -0.049 4.301 4.350 -0.000 0.000 0.194 298 E C 2.346 178.933 176.600 -0.022 0.000 0.988 298 E CA 0.721 57.096 56.400 -0.041 0.000 0.811 298 E CB -0.086 29.586 29.700 -0.047 0.000 0.746 298 E HN 0.464 nan 8.360 nan 0.000 0.466 299 I N 0.218 120.769 120.570 -0.031 0.000 2.333 299 I HA -0.160 4.010 4.170 -0.000 0.000 0.246 299 I C 2.266 178.391 176.117 0.014 0.000 1.106 299 I CA 0.868 62.159 61.300 -0.015 0.000 1.411 299 I CB -0.263 37.713 38.000 -0.040 0.000 1.082 299 I HN 0.087 nan 8.210 nan 0.000 0.420 300 A N 0.315 123.142 122.820 0.011 0.000 1.930 300 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 300 A C 2.464 180.072 177.584 0.040 0.000 1.175 300 A CA 1.891 53.949 52.037 0.035 0.000 0.627 300 A CB -0.583 18.438 19.000 0.035 0.000 0.815 300 A HN 0.366 nan 8.150 nan 0.000 0.443 301 S N 0.044 115.755 115.700 0.018 0.000 2.402 301 S HA 0.043 4.512 4.470 -0.000 0.000 0.229 301 S C 2.224 176.858 174.600 0.057 0.000 1.021 301 S CA 0.936 59.149 58.200 0.023 0.000 0.974 301 S CB -0.341 62.851 63.200 -0.013 0.000 0.800 301 S HN 0.766 nan 8.310 nan 0.000 0.484 302 A N 1.718 124.582 122.820 0.074 0.000 1.930 302 A HA 0.151 4.471 4.320 -0.000 0.000 0.217 302 A C 2.349 180.079 177.584 0.243 0.000 1.175 302 A CA 1.574 53.698 52.037 0.145 0.000 0.627 302 A CB -1.014 18.070 19.000 0.142 0.000 0.815 302 A HN 0.503 nan 8.150 nan 0.000 0.443 303 A N -0.504 122.410 122.820 0.156 0.000 1.877 303 A HA 0.005 4.324 4.320 -0.000 0.000 0.216 303 A C 2.227 179.910 177.584 0.165 0.000 1.186 303 A CA 1.730 53.843 52.037 0.127 0.000 0.620 303 A CB -1.005 18.020 19.000 0.041 0.000 0.822 303 A HN 0.372 nan 8.150 nan 0.000 0.443 304 V N -0.053 119.951 119.914 0.150 0.000 2.287 304 V HA -0.306 3.814 4.120 -0.000 0.000 0.248 304 V C 3.068 179.271 176.094 0.182 0.000 1.053 304 V CA 2.192 64.609 62.300 0.196 0.000 1.027 304 V CB -1.233 30.672 31.823 0.136 0.000 0.646 304 V HN 0.628 nan 8.190 nan 0.000 0.447 305 A N -1.159 121.722 122.820 0.101 0.000 1.930 305 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 305 A C 1.968 179.549 177.584 -0.005 0.000 1.175 305 A CA 2.053 54.092 52.037 0.004 0.000 0.627 305 A CB -0.779 18.187 19.000 -0.058 0.000 0.815 305 A HN 0.718 nan 8.150 nan 0.000 0.443 306 H N -2.509 116.650 119.070 0.148 0.000 2.357 306 H HA -0.048 4.508 4.556 -0.000 0.000 0.301 306 H C 1.744 177.184 175.328 0.187 0.000 1.082 306 H CA 1.809 57.978 56.048 0.203 0.000 1.342 306 H CB -0.204 29.660 29.762 0.171 0.000 1.389 306 H HN 0.521 nan 8.280 nan 0.000 0.511 307 F N 1.257 121.267 119.950 0.101 0.000 2.126 307 F HA -0.196 4.331 4.527 -0.000 0.000 0.299 307 F C 2.375 178.184 175.800 0.015 0.000 1.096 307 F CA 1.228 59.240 58.000 0.021 0.000 1.255 307 F CB -0.689 38.311 39.000 0.000 0.000 0.997 307 F HN 0.140 nan 8.300 nan 0.000 0.479 308 A N -0.099 122.682 122.820 -0.064 0.000 1.929 308 A HA 0.125 4.445 4.320 -0.000 0.000 0.216 308 A C 2.375 179.861 177.584 -0.163 0.000 1.176 308 A CA 1.307 53.230 52.037 -0.190 0.000 0.628 308 A CB -1.391 17.535 19.000 -0.124 0.000 0.816 308 A HN 0.419 nan 8.150 nan 0.000 0.444 309 A N 0.346 123.096 122.820 -0.116 0.000 2.015 309 A HA -0.019 4.301 4.320 -0.000 0.000 0.219 309 A C 2.224 179.738 177.584 -0.116 0.000 1.163 309 A CA 1.886 53.813 52.037 -0.182 0.000 0.646 309 A CB -0.661 18.170 19.000 -0.282 0.000 0.806 309 A HN 0.899 nan 8.150 nan 0.000 0.448 310 S N -1.107 114.591 115.700 -0.003 0.000 2.575 310 S HA 0.111 4.581 4.470 -0.000 0.000 0.215 310 S C 0.430 175.015 174.600 -0.025 0.000 0.966 310 S CA 0.226 58.454 58.200 0.047 0.000 0.911 310 S CB -0.400 62.885 63.200 0.142 0.000 0.780 310 S HN 0.299 nan 8.310 nan 0.000 0.514 311 T N 4.783 119.273 114.554 -0.107 0.000 2.771 311 T HA 0.409 4.759 4.350 -0.000 0.000 0.291 311 T C -2.851 171.814 174.700 -0.057 0.000 0.954 311 T CA -1.506 60.524 62.100 -0.116 0.000 1.045 311 T CB 1.089 69.827 68.868 -0.217 0.000 0.917 311 T HN 0.033 nan 8.240 nan 0.000 0.484 312 P HA -0.017 nan 4.420 nan 0.000 0.260 312 P C 0.917 178.222 177.300 0.008 0.000 1.172 312 P CA 0.214 63.337 63.100 0.038 0.000 0.760 312 P CB 0.505 32.297 31.700 0.154 0.000 0.773 313 E N 4.114 124.288 120.200 -0.044 0.000 2.097 313 E HA -0.294 4.056 4.350 -0.000 0.000 0.196 313 E C 1.366 177.908 176.600 -0.097 0.000 1.000 313 E CA 1.723 58.076 56.400 -0.077 0.000 0.804 313 E CB 0.069 29.717 29.700 -0.087 0.000 0.740 313 E HN 0.626 nan 8.360 nan 0.000 0.454 314 E N -1.004 119.113 120.200 -0.140 0.000 2.268 314 E HA -0.155 4.195 4.350 -0.000 0.000 0.195 314 E C 1.131 177.474 176.600 -0.429 0.000 0.995 314 E CA 0.926 57.146 56.400 -0.299 0.000 0.836 314 E CB -0.170 29.290 29.700 -0.400 0.000 0.763 314 E HN 0.308 nan 8.360 nan 0.000 0.491 315 F N 0.257 120.172 119.950 -0.058 0.000 2.682 315 F HA 0.298 4.825 4.527 -0.000 0.000 0.308 315 F C 0.183 175.942 175.800 -0.068 0.000 1.093 315 F CA -0.688 57.277 58.000 -0.058 0.000 1.244 315 F CB 0.806 39.771 39.000 -0.058 0.000 1.052 315 F HN 0.013 nan 8.300 nan 0.000 0.573 316 L N 1.207 122.462 121.223 0.054 0.000 2.260 316 L HA 0.328 4.668 4.340 -0.000 0.000 0.289 316 L C 0.843 177.704 176.870 -0.015 0.000 1.057 316 L CA 0.043 54.880 54.840 -0.005 0.000 0.811 316 L CB 0.206 42.229 42.059 -0.060 0.000 1.184 316 L HN -0.021 nan 8.230 nan 0.000 0.429 317 I N 3.260 123.830 120.570 0.001 0.000 2.235 317 I HA 0.022 4.192 4.170 -0.000 0.000 0.241 317 I C 0.486 176.606 176.117 0.006 0.000 1.085 317 I CA 0.823 62.126 61.300 0.004 0.000 1.378 317 I CB -1.077 36.933 38.000 0.016 0.000 1.076 317 I HN 0.865 nan 8.210 nan 0.000 0.415 318 N N -1.508 117.205 118.700 0.022 0.000 3.116 318 N HA 0.313 5.053 4.740 -0.000 0.000 0.244 318 N C -0.732 174.811 175.510 0.056 0.000 1.485 318 N CA -0.647 52.435 53.050 0.053 0.000 0.884 318 N CB 1.824 40.398 38.487 0.145 0.000 1.415 318 N HN -0.085 nan 8.380 nan 0.000 0.524 319 S N -1.510 114.228 115.700 0.064 0.000 2.900 319 S HA 0.828 5.298 4.470 -0.000 0.000 0.320 319 S C -1.561 173.096 174.600 0.095 0.000 1.130 319 S CA -0.348 57.897 58.200 0.074 0.000 0.863 319 S CB 1.265 64.468 63.200 0.005 0.000 1.295 319 S HN 0.865 nan 8.310 nan 0.000 0.596 320 T N 1.023 115.617 114.554 0.066 0.000 2.956 320 T HA 0.402 4.752 4.350 -0.000 0.000 0.312 320 T C -2.110 172.591 174.700 0.001 0.000 1.151 320 T CA -0.639 61.464 62.100 0.006 0.000 1.024 320 T CB 1.054 69.958 68.868 0.061 0.000 1.140 320 T HN 0.665 nan 8.240 nan 0.000 0.473 321 D N 5.724 126.102 120.400 -0.037 0.000 2.558 321 D HA 0.119 4.758 4.640 -0.000 0.000 0.221 321 D C 1.559 177.829 176.300 -0.050 0.000 1.143 321 D CA -0.381 53.583 54.000 -0.060 0.000 1.010 321 D CB 0.029 40.763 40.800 -0.110 0.000 1.068 321 D HN 0.490 nan 8.370 nan 0.000 0.511 322 L N 0.810 122.016 121.223 -0.028 0.000 2.079 322 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 322 L C 2.619 179.379 176.870 -0.185 0.000 1.081 322 L CA 1.111 55.891 54.840 -0.100 0.000 0.752 322 L CB -0.554 41.408 42.059 -0.161 0.000 0.896 322 L HN 0.358 nan 8.230 nan 0.000 0.433 323 M N -1.030 118.481 119.600 -0.148 0.000 2.358 323 M HA -0.131 4.349 4.480 -0.000 0.000 0.264 323 M C 1.060 177.264 176.300 -0.161 0.000 1.064 323 M CA 1.726 56.939 55.300 -0.145 0.000 1.093 323 M CB -1.322 31.220 32.600 -0.097 0.000 1.401 323 M HN 0.191 nan 8.290 nan 0.000 0.440 324 N N 0.137 118.702 118.700 -0.225 0.000 2.461 324 N HA 0.046 4.786 4.740 -0.000 0.000 0.188 324 N C 0.579 175.843 175.510 -0.409 0.000 1.134 324 N CA 0.540 53.406 53.050 -0.306 0.000 0.878 324 N CB -0.348 37.925 38.487 -0.357 0.000 0.972 324 N HN 0.572 nan 8.380 nan 0.000 0.456 325 Y N -0.085 120.099 120.300 -0.193 0.000 2.462 325 Y HA 0.214 4.764 4.550 -0.000 0.000 0.261 325 Y C 0.281 176.185 175.900 0.006 0.000 1.146 325 Y CA -0.221 57.823 58.100 -0.094 0.000 1.283 325 Y CB 0.391 38.736 38.460 -0.192 0.000 1.090 325 Y HN -0.039 nan 8.280 nan 0.000 0.526 326 N N -0.751 117.974 118.700 0.042 0.000 2.335 326 N HA 0.141 4.881 4.740 -0.000 0.000 0.304 326 N C 0.731 176.245 175.510 0.006 0.000 1.135 326 N CA 0.237 53.332 53.050 0.076 0.000 0.817 326 N CB 1.556 40.077 38.487 0.058 0.000 1.294 326 N HN 0.012 nan 8.380 nan 0.000 0.497 327 T N -2.356 112.212 114.554 0.023 0.000 3.081 327 T HA 0.186 4.536 4.350 -0.000 0.000 0.255 327 T C 0.742 175.441 174.700 -0.000 0.000 1.113 327 T CA 0.426 62.524 62.100 -0.003 0.000 1.082 327 T CB 0.496 69.364 68.868 0.000 0.000 0.939 327 T HN 0.297 nan 8.240 nan 0.000 0.506 328 R N 0.518 121.025 120.500 0.012 0.000 2.873 328 R HA 0.746 5.086 4.340 -0.000 0.000 0.264 328 R C -0.845 175.449 176.300 -0.010 0.000 1.026 328 R CA -0.701 55.403 56.100 0.005 0.000 1.002 328 R CB 1.862 32.174 30.300 0.021 0.000 1.174 328 R HN 0.065 nan 8.270 nan 0.000 0.488 329 S N -0.488 115.199 115.700 -0.021 0.000 2.568 329 S HA 0.258 4.728 4.470 -0.000 0.000 0.302 329 S C 0.664 175.232 174.600 -0.054 0.000 1.082 329 S CA -0.712 57.463 58.200 -0.042 0.000 1.009 329 S CB 1.953 65.123 63.200 -0.050 0.000 1.069 329 S HN 0.787 nan 8.310 nan 0.000 0.500 330 T N -1.496 113.014 114.554 -0.072 0.000 2.969 330 T HA 0.436 4.786 4.350 -0.000 0.000 0.250 330 T C 0.697 175.302 174.700 -0.158 0.000 1.021 330 T CA 0.198 62.239 62.100 -0.099 0.000 1.003 330 T CB 0.203 69.029 68.868 -0.071 0.000 1.040 330 T HN 0.731 nan 8.240 nan 0.000 0.492 331 G N 0.999 109.720 108.800 -0.132 0.000 2.690 331 G HA2 0.595 4.555 3.960 -0.000 0.000 0.291 331 G HA3 0.595 4.555 3.960 -0.000 0.000 0.291 331 G C -1.965 172.868 174.900 -0.111 0.000 1.403 331 G CA -0.791 44.218 45.100 -0.151 0.000 0.864 331 G HN 0.148 nan 8.290 nan 0.000 0.480 332 L N 1.547 122.704 121.223 -0.110 0.000 2.272 332 L HA 0.733 5.073 4.340 -0.000 0.000 0.289 332 L C 1.147 177.995 176.870 -0.036 0.000 1.032 332 L CA 0.993 55.794 54.840 -0.065 0.000 0.810 332 L CB 0.186 42.210 42.059 -0.057 0.000 1.205 332 L HN 1.474 nan 8.230 nan 0.000 0.422 333 G N 2.775 111.561 108.800 -0.022 0.000 2.578 333 G HA2 0.342 4.301 3.960 -0.000 0.000 0.232 333 G HA3 0.342 4.301 3.960 -0.000 0.000 0.232 333 G C 0.234 175.135 174.900 0.001 0.000 1.176 333 G CA -0.222 44.877 45.100 -0.003 0.000 0.968 333 G HN 1.654 nan 8.290 nan 0.000 0.583 334 G N -0.305 108.509 108.800 0.023 0.000 2.627 334 G HA2 0.385 4.345 3.960 -0.000 0.000 0.214 334 G HA3 0.385 4.345 3.960 -0.000 0.000 0.214 334 G C -2.193 172.728 174.900 0.035 0.000 1.331 334 G CA 0.801 45.921 45.100 0.033 0.000 0.891 334 G HN 1.548 nan 8.290 nan 0.000 0.539 335 P HA 0.531 nan 4.420 nan 0.000 0.276 335 P C 0.074 177.391 177.300 0.029 0.000 1.261 335 P CA 0.509 63.623 63.100 0.024 0.000 0.800 335 P CB 1.191 32.896 31.700 0.008 0.000 1.066 336 T N -3.127 111.463 114.554 0.060 0.000 2.916 336 T HA 0.593 4.943 4.350 -0.000 0.000 0.292 336 T C -0.595 174.182 174.700 0.129 0.000 1.064 336 T CA -0.774 61.367 62.100 0.069 0.000 1.011 336 T CB 0.971 69.870 68.868 0.052 0.000 1.152 336 T HN 0.134 nan 8.240 nan 0.000 0.510 337 V N 1.945 121.927 119.914 0.113 0.000 2.448 337 V HA 0.595 4.715 4.120 -0.000 0.000 0.295 337 V C -0.942 175.267 176.094 0.190 0.000 1.025 337 V CA -0.693 61.696 62.300 0.148 0.000 0.859 337 V CB 1.050 32.913 31.823 0.067 0.000 0.988 337 V HN 1.153 nan 8.190 nan 0.000 0.431 338 H N 3.438 122.604 119.070 0.161 0.000 2.924 338 H HA 0.421 4.977 4.556 -0.000 0.000 0.333 338 H C -0.085 175.284 175.328 0.068 0.000 0.979 338 H CA -0.351 55.735 56.048 0.063 0.000 1.326 338 H CB 1.124 30.833 29.762 -0.089 0.000 1.600 338 H HN 0.687 nan 8.280 nan 0.000 0.520 339 Q N 3.888 123.414 119.800 -0.458 0.000 2.453 339 Q HA -0.215 4.124 4.340 -0.000 0.000 0.294 339 Q C 0.876 176.650 176.000 -0.376 0.000 1.295 339 Q CA 1.127 56.668 55.803 -0.436 0.000 0.853 339 Q CB -1.440 26.976 28.738 -0.537 0.000 1.193 339 Q HN 1.304 nan 8.270 nan 0.000 0.461 340 G N -0.545 107.980 108.800 -0.459 0.000 2.143 340 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.248 340 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.248 340 G C -0.076 174.618 174.900 -0.344 0.000 0.991 340 G CA 0.436 45.054 45.100 -0.804 0.000 0.689 340 G HN 0.334 nan 8.290 nan 0.000 0.522 341 R N -0.833 119.574 120.500 -0.155 0.000 2.750 341 R HA 0.649 4.989 4.340 -0.000 0.000 0.281 341 R C -0.394 175.804 176.300 -0.171 0.000 0.972 341 R CA -0.964 55.028 56.100 -0.179 0.000 0.912 341 R CB 1.784 31.942 30.300 -0.236 0.000 1.187 341 R HN 0.139 nan 8.270 nan 0.000 0.464 342 L N 3.728 124.786 121.223 -0.275 0.000 2.264 342 L HA 0.408 4.748 4.340 -0.000 0.000 0.289 342 L C -1.287 175.360 176.870 -0.372 0.000 1.044 342 L CA -0.443 54.285 54.840 -0.187 0.000 0.807 342 L CB 0.500 42.485 42.059 -0.123 0.000 1.192 342 L HN 0.629 nan 8.230 nan 0.000 0.425 343 Y N 3.198 123.462 120.300 -0.061 0.000 2.335 343 Y HA 0.484 5.034 4.550 -0.000 0.000 0.338 343 Y C 0.748 176.584 175.900 -0.106 0.000 0.977 343 Y CA -0.560 57.486 58.100 -0.091 0.000 1.114 343 Y CB 1.758 40.173 38.460 -0.076 0.000 1.182 343 Y HN 0.674 nan 8.280 nan 0.000 0.463 344 A N 2.137 124.930 122.820 -0.045 0.000 2.386 344 A HA 0.458 4.778 4.320 -0.000 0.000 0.246 344 A C 0.195 177.776 177.584 -0.006 0.000 1.089 344 A CA -0.474 51.467 52.037 -0.160 0.000 0.790 344 A CB 0.065 18.873 19.000 -0.320 0.000 1.042 344 A HN 0.724 nan 8.150 nan 0.000 0.497 345 S N -0.161 115.537 115.700 -0.003 0.000 2.603 345 S HA 0.273 4.742 4.470 -0.000 0.000 0.268 345 S C -0.106 174.716 174.600 0.370 0.000 1.317 345 S CA -0.357 57.945 58.200 0.171 0.000 1.012 345 S CB 0.660 63.973 63.200 0.189 0.000 0.926 345 S HN 0.661 nan 8.310 nan 0.000 0.539 346 D N 0.711 121.298 120.400 0.311 0.000 2.433 346 D HA 0.103 4.743 4.640 -0.000 0.000 0.211 346 D C 0.523 176.917 176.300 0.156 0.000 1.114 346 D CA 0.206 54.424 54.000 0.363 0.000 0.837 346 D CB 0.316 41.333 40.800 0.362 0.000 0.984 346 D HN 0.623 nan 8.370 nan 0.000 0.505 347 T N -0.936 113.695 114.554 0.128 0.000 2.913 347 T HA 0.469 4.819 4.350 -0.000 0.000 0.287 347 T C -2.707 172.016 174.700 0.038 0.000 1.008 347 T CA -1.927 60.213 62.100 0.067 0.000 1.067 347 T CB 1.726 70.633 68.868 0.066 0.000 0.996 347 T HN -0.298 nan 8.240 nan 0.000 0.513 348 P HA 0.357 nan 4.420 nan 0.000 0.266 348 P C 1.050 178.344 177.300 -0.009 0.000 1.193 348 P CA 1.356 64.443 63.100 -0.022 0.000 0.770 348 P CB -0.087 31.605 31.700 -0.013 0.000 0.836 349 G N 1.352 110.129 108.800 -0.038 0.000 2.525 349 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.248 349 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.248 349 G C 0.567 175.412 174.900 -0.091 0.000 1.238 349 G CA -0.057 45.025 45.100 -0.031 0.000 0.926 349 G HN 0.483 nan 8.290 nan 0.000 0.574 350 L N 1.782 122.983 121.223 -0.037 0.000 2.418 350 L HA 0.354 4.694 4.340 -0.000 0.000 0.218 350 L C 2.332 179.314 176.870 0.187 0.000 1.125 350 L CA 1.252 56.084 54.840 -0.013 0.000 0.835 350 L CB -0.359 41.718 42.059 0.030 0.000 0.953 350 L HN 2.165 nan 8.230 nan 0.000 0.454 351 G N 0.606 109.479 108.800 0.122 0.000 2.160 351 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.244 351 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.244 351 G C -0.257 174.695 174.900 0.085 0.000 1.022 351 G CA 0.311 45.487 45.100 0.127 0.000 0.741 351 G HN 0.193 nan 8.290 nan 0.000 0.508 352 V N 0.340 120.287 119.914 0.055 0.000 2.851 352 V HA 0.875 4.994 4.120 -0.000 0.000 0.307 352 V C 0.179 176.265 176.094 -0.013 0.000 1.129 352 V CA 0.532 62.842 62.300 0.017 0.000 0.932 352 V CB 2.401 34.234 31.823 0.017 0.000 1.024 352 V HN 1.216 nan 8.190 nan 0.000 0.426 353 T N 4.325 118.851 114.554 -0.046 0.000 2.942 353 T HA 0.786 5.136 4.350 -0.000 0.000 0.289 353 T C -3.059 171.512 174.700 -0.216 0.000 1.044 353 T CA -2.419 59.631 62.100 -0.083 0.000 1.023 353 T CB 2.076 70.927 68.868 -0.029 0.000 1.123 353 T HN 0.482 nan 8.240 nan 0.000 0.512 354 P HA 0.273 nan 4.420 nan 0.000 0.275 354 P C -0.833 175.984 177.300 -0.806 0.000 1.227 354 P CA -0.217 62.441 63.100 -0.737 0.000 0.781 354 P CB 0.307 31.260 31.700 -1.245 0.000 0.906 355 D N 2.277 122.347 120.400 -0.549 0.000 2.494 355 D HA 0.119 4.758 4.640 -0.000 0.000 0.217 355 D C 0.320 176.411 176.300 -0.349 0.000 1.153 355 D CA -0.229 53.568 54.000 -0.339 0.000 0.954 355 D CB -0.456 40.235 40.800 -0.183 0.000 1.034 355 D HN 0.125 nan 8.370 nan 0.000 0.518 356 F N 1.653 121.521 119.950 -0.138 0.000 2.234 356 F HA -0.038 4.489 4.527 -0.000 0.000 0.299 356 F C 2.126 177.888 175.800 -0.064 0.000 1.087 356 F CA 0.646 58.557 58.000 -0.149 0.000 1.340 356 F CB -0.503 38.434 39.000 -0.105 0.000 1.031 356 F HN 0.400 nan 8.300 nan 0.000 0.500 357 N N -0.418 118.352 118.700 0.117 0.000 2.120 357 N HA -0.163 4.577 4.740 -0.000 0.000 0.188 357 N C 1.817 177.353 175.510 0.043 0.000 1.024 357 N CA 1.418 54.511 53.050 0.072 0.000 0.852 357 N CB -0.171 38.346 38.487 0.049 0.000 1.003 357 N HN 0.151 nan 8.380 nan 0.000 0.424 358 S N 0.727 116.431 115.700 0.006 0.000 2.414 358 S HA 0.093 4.563 4.470 -0.000 0.000 0.227 358 S C 1.967 176.576 174.600 0.015 0.000 1.022 358 S CA 0.415 58.615 58.200 0.000 0.000 0.958 358 S CB 0.038 63.222 63.200 -0.028 0.000 0.797 358 S HN 0.219 nan 8.310 nan 0.000 0.493 359 L N 0.853 122.072 121.223 -0.006 0.000 2.156 359 L HA 0.150 4.490 4.340 -0.000 0.000 0.208 359 L C 1.535 178.508 176.870 0.171 0.000 1.095 359 L CA 0.605 55.466 54.840 0.035 0.000 0.770 359 L CB -0.940 41.023 42.059 -0.159 0.000 0.914 359 L HN 0.527 nan 8.230 nan 0.000 0.439 360 G N -0.598 108.306 108.800 0.174 0.000 2.615 360 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.218 360 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.218 360 G C -0.223 174.844 174.900 0.278 0.000 1.339 360 G CA -0.502 44.710 45.100 0.186 0.000 0.884 360 G HN 0.480 nan 8.290 nan 0.000 0.559 361 A N 1.594 124.521 122.820 0.179 0.000 2.425 361 A HA 0.670 4.990 4.320 -0.000 0.000 0.249 361 A C -1.138 176.488 177.584 0.070 0.000 1.084 361 A CA -0.015 52.102 52.037 0.133 0.000 0.781 361 A CB -0.126 18.903 19.000 0.049 0.000 1.019 361 A HN 0.864 nan 8.150 nan 0.000 0.490 362 P HA 0.110 nan 4.420 nan 0.000 0.271 362 P C 1.027 178.178 177.300 -0.248 0.000 1.216 362 P CA -0.060 62.746 63.100 -0.490 0.000 0.776 362 P CB 0.811 32.070 31.700 -0.735 0.000 0.881 363 V N -0.233 119.562 119.914 -0.199 0.000 3.041 363 V HA 0.302 4.422 4.120 -0.000 0.000 0.260 363 V C 0.696 176.680 176.094 -0.183 0.000 1.105 363 V CA 1.212 63.441 62.300 -0.119 0.000 1.125 363 V CB -1.122 30.681 31.823 -0.034 0.000 0.730 363 V HN 0.704 nan 8.190 nan 0.000 0.479 364 A N -0.384 122.265 122.820 -0.284 0.000 2.589 364 A HA 0.717 5.037 4.320 -0.000 0.000 0.296 364 A C -1.898 175.319 177.584 -0.613 0.000 1.062 364 A CA -0.236 51.491 52.037 -0.516 0.000 0.686 364 A CB 1.990 20.652 19.000 -0.563 0.000 1.282 364 A HN 0.253 nan 8.150 nan 0.000 0.404 365 D N 1.037 120.943 120.400 -0.823 0.000 2.890 365 D HA 0.482 5.122 4.640 -0.000 0.000 0.233 365 D C -1.584 174.400 176.300 -0.525 0.000 1.306 365 D CA 0.099 53.822 54.000 -0.462 0.000 0.929 365 D CB 0.930 41.573 40.800 -0.262 0.000 1.512 365 D HN 0.496 nan 8.370 nan 0.000 0.568 366 W N 2.841 124.143 121.300 0.004 0.000 2.656 366 W HA 0.757 5.417 4.660 -0.000 0.000 0.327 366 W C -0.475 176.056 176.519 0.021 0.000 1.041 366 W CA -1.100 56.253 57.345 0.013 0.000 1.229 366 W CB 2.039 31.512 29.460 0.023 0.000 1.397 366 W HN 0.466 nan 8.180 nan 0.000 0.479 367 A N 3.291 126.236 122.820 0.208 0.000 2.515 367 A HA 0.702 5.021 4.320 -0.000 0.000 0.298 367 A C -1.130 176.516 177.584 0.104 0.000 1.059 367 A CA -0.828 51.290 52.037 0.134 0.000 0.698 367 A CB 1.463 20.510 19.000 0.078 0.000 1.289 367 A HN 0.665 nan 8.150 nan 0.000 0.404 368 L N 3.021 124.294 121.223 0.082 0.000 2.461 368 L HA 0.247 4.587 4.340 -0.000 0.000 0.272 368 L C -1.023 175.872 176.870 0.041 0.000 1.197 368 L CA -1.049 53.824 54.840 0.056 0.000 0.836 368 L CB 0.287 42.373 42.059 0.044 0.000 1.105 368 L HN 0.694 nan 8.230 nan 0.000 0.477 369 P HA 0.000 nan 4.420 nan 0.000 0.216 369 P CA 0.000 63.113 63.100 0.022 0.000 0.800 369 P CB 0.000 31.711 31.700 0.018 0.000 0.726