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 3ipl_1_C DATA FIRST_RESID 1 DATA SEQUENCE LDFWLYKQAQ QNGHHIAITD GQESYTYQNL YCEASLLAKR LKAYQQSRVG DATA SEQUENCE LYIDNSIQSI ILIHACWLAN IEIAMINTRL TPNEMTNQMR SIDVQLIFCT DATA SEQUENCE LPLELRGFQI VSLDDIEXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXLNTSFNL DDIASIMFTS GTTGPQKAVP QTFRNHYASA IGCKESLGFD DATA SEQUENCE RDTNWLSVLP IYHISGLSVL LRAVIEGFTV RIVDKFNAEQ ILTMIKNERI DATA SEQUENCE THISLVPQTL NWLMQQGLHE PYNLQKILLG GAKLSATMIE TALQYNLPIY DATA SEQUENCE NSFGMTETCS QFLTATPEML HARPDTVGMP SANVDVKIKN PNKEGHGELM DATA SEQUENCE IKGANVMNGY LYPTDLTGTF ENGYFNTGDI AEIDHEGYVM IYD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.823 176.870 -0.078 0.000 1.165 1 L CA 0.000 54.787 54.840 -0.088 0.000 0.813 1 L CB 0.000 42.020 42.059 -0.064 0.000 0.961 2 D N 0.884 121.260 120.400 -0.041 0.000 2.264 2 D HA 0.362 5.003 4.640 0.000 0.000 0.249 2 D C -0.525 175.612 176.300 -0.271 0.000 1.070 2 D CA -0.087 53.876 54.000 -0.062 0.000 0.912 2 D CB 1.066 41.923 40.800 0.095 0.000 1.193 2 D HN -0.225 nan 8.370 nan 0.000 0.427 3 F N 1.578 121.353 119.950 -0.292 0.000 2.607 3 F HA -0.085 4.442 4.527 0.000 0.000 0.374 3 F C 1.434 176.987 175.800 -0.412 0.000 1.104 3 F CA -0.157 57.455 58.000 -0.648 0.000 1.296 3 F CB 0.365 39.218 39.000 -0.244 0.000 1.085 3 F HN 0.460 nan 8.300 nan 0.000 0.584 4 W N 2.656 123.711 121.300 -0.410 0.000 2.338 4 W HA -0.205 4.455 4.660 0.000 0.000 0.304 4 W C 2.083 178.522 176.519 -0.134 0.000 1.212 4 W CA 0.755 57.958 57.345 -0.238 0.000 1.264 4 W CB -1.086 28.252 29.460 -0.203 0.000 1.142 4 W HN 0.454 nan 8.180 nan 0.000 0.512 5 L N -0.379 120.966 121.223 0.204 0.000 2.056 5 L HA -0.205 4.135 4.340 0.000 0.000 0.207 5 L C 2.421 179.258 176.870 -0.055 0.000 1.078 5 L CA 1.778 56.691 54.840 0.121 0.000 0.749 5 L CB -1.616 40.565 42.059 0.204 0.000 0.901 5 L HN 0.013 nan 8.230 nan 0.000 0.433 6 Y N 0.672 120.839 120.300 -0.222 0.000 2.097 6 Y HA -0.313 4.237 4.550 0.000 0.000 0.282 6 Y C 2.724 178.405 175.900 -0.366 0.000 1.152 6 Y CA 2.478 60.218 58.100 -0.601 0.000 1.136 6 Y CB -0.315 37.939 38.460 -0.343 0.000 0.975 6 Y HN 0.243 nan 8.280 nan 0.000 0.498 7 K N -0.436 119.843 120.400 -0.203 0.000 2.074 7 K HA -0.265 4.055 4.320 0.000 0.000 0.209 7 K C 1.947 178.359 176.600 -0.313 0.000 1.048 7 K CA 1.938 58.091 56.287 -0.224 0.000 0.926 7 K CB -0.090 32.383 32.500 -0.046 0.000 0.713 7 K HN 0.370 nan 8.250 nan 0.000 0.444 8 Q N -0.400 119.201 119.800 -0.331 0.000 2.230 8 Q HA -0.015 4.325 4.340 0.000 0.000 0.202 8 Q C 1.984 177.789 176.000 -0.325 0.000 0.963 8 Q CA 1.228 56.767 55.803 -0.440 0.000 0.866 8 Q CB -0.088 28.151 28.738 -0.832 0.000 0.931 8 Q HN 0.426 nan 8.270 nan 0.000 0.452 9 A N 0.748 123.366 122.820 -0.335 0.000 1.969 9 A HA -0.172 4.148 4.320 0.000 0.000 0.218 9 A C 2.032 179.415 177.584 -0.335 0.000 1.169 9 A CA 1.044 52.911 52.037 -0.284 0.000 0.635 9 A CB -0.078 18.687 19.000 -0.392 0.000 0.810 9 A HN 0.179 nan 8.150 nan 0.000 0.445 10 Q N -0.218 119.308 119.800 -0.457 0.000 2.008 10 Q HA -0.129 4.211 4.340 0.000 0.000 0.196 10 Q C 1.990 177.855 176.000 -0.224 0.000 0.973 10 Q CA 1.840 57.418 55.803 -0.375 0.000 0.826 10 Q CB -0.477 27.982 28.738 -0.465 0.000 0.894 10 Q HN 0.999 nan 8.270 nan 0.000 0.439 11 Q N -0.747 118.931 119.800 -0.203 0.000 2.219 11 Q HA 0.178 4.518 4.340 0.000 0.000 0.209 11 Q C 0.121 176.063 176.000 -0.096 0.000 0.854 11 Q CA 0.188 55.916 55.803 -0.126 0.000 0.960 11 Q CB 0.416 29.089 28.738 -0.109 0.000 1.116 11 Q HN 0.027 nan 8.270 nan 0.000 0.500 12 N N -0.509 118.124 118.700 -0.113 0.000 2.330 12 N HA 0.143 4.883 4.740 0.000 0.000 0.249 12 N C 0.767 176.291 175.510 0.024 0.000 1.413 12 N CA 0.527 53.552 53.050 -0.043 0.000 0.817 12 N CB 0.637 39.036 38.487 -0.147 0.000 1.362 12 N HN 0.260 nan 8.380 nan 0.000 0.499 13 G N -0.667 108.083 108.800 -0.084 0.000 2.450 13 G HA2 -0.256 3.704 3.960 0.000 0.000 0.220 13 G HA3 -0.256 3.704 3.960 0.000 0.000 0.220 13 G C 0.954 175.775 174.900 -0.131 0.000 1.130 13 G CA 1.079 46.089 45.100 -0.150 0.000 0.760 13 G HN 0.526 nan 8.290 nan 0.000 0.557 14 H N -1.787 117.353 119.070 0.116 0.000 2.563 14 H HA 0.175 4.731 4.556 0.000 0.000 0.264 14 H C 0.972 176.375 175.328 0.126 0.000 0.957 14 H CA -0.240 55.865 56.048 0.095 0.000 1.173 14 H CB 0.158 29.954 29.762 0.057 0.000 1.420 14 H HN 0.268 nan 8.280 nan 0.000 0.551 15 H N 1.662 120.855 119.070 0.204 0.000 2.815 15 H HA -0.034 4.522 4.556 0.000 0.000 0.350 15 H C 0.124 175.551 175.328 0.166 0.000 1.080 15 H CA -0.178 55.995 56.048 0.208 0.000 1.433 15 H CB 0.518 30.438 29.762 0.263 0.000 1.432 15 H HN 0.116 nan 8.280 nan 0.000 0.592 16 I N 4.347 124.914 120.570 -0.006 0.000 2.533 16 I HA -0.049 4.121 4.170 0.000 0.000 0.284 16 I C 1.389 177.516 176.117 0.018 0.000 1.109 16 I CA 0.234 61.539 61.300 0.008 0.000 1.412 16 I CB 0.287 38.261 38.000 -0.044 0.000 1.396 16 I HN 0.644 nan 8.210 nan 0.000 0.543 17 A N 8.176 130.809 122.820 -0.311 0.000 1.887 17 A HA 0.305 4.625 4.320 0.000 0.000 0.210 17 A C 0.805 178.238 177.584 -0.251 0.000 1.221 17 A CA 0.749 52.341 52.037 -0.741 0.000 0.635 17 A CB 0.157 18.491 19.000 -1.109 0.000 0.881 17 A HN 0.710 nan 8.150 nan 0.000 0.456 18 I N -3.637 116.861 120.570 -0.120 0.000 2.722 18 I HA 0.660 4.830 4.170 0.000 0.000 0.295 18 I C -0.748 175.390 176.117 0.035 0.000 1.161 18 I CA -0.613 60.667 61.300 -0.033 0.000 1.032 18 I CB 2.268 40.218 38.000 -0.082 0.000 1.244 18 I HN -0.039 nan 8.210 nan 0.000 0.421 19 T N 1.664 116.244 114.554 0.044 0.000 2.903 19 T HA 0.436 4.786 4.350 0.000 0.000 0.299 19 T C -0.853 173.872 174.700 0.042 0.000 1.093 19 T CA -0.309 61.824 62.100 0.056 0.000 1.002 19 T CB 1.698 70.596 68.868 0.049 0.000 1.127 19 T HN 0.919 nan 8.240 nan 0.000 0.488 20 D N 1.030 121.455 120.400 0.041 0.000 2.563 20 D HA 0.339 4.979 4.640 0.000 0.000 0.237 20 D C 1.260 177.572 176.300 0.019 0.000 1.282 20 D CA 0.588 54.603 54.000 0.025 0.000 0.816 20 D CB -0.074 40.736 40.800 0.017 0.000 1.066 20 D HN 0.973 nan 8.370 nan 0.000 0.501 21 G N 1.546 110.358 108.800 0.020 0.000 4.365 21 G HA2 -0.455 3.505 3.960 0.000 0.000 0.214 21 G HA3 -0.455 3.505 3.960 0.000 0.000 0.214 21 G C 1.199 176.104 174.900 0.009 0.000 1.450 21 G CA 0.395 45.500 45.100 0.009 0.000 0.937 21 G HN 0.388 nan 8.290 nan 0.000 0.625 22 Q N 1.419 121.226 119.800 0.011 0.000 2.119 22 Q HA 0.190 4.530 4.340 0.000 0.000 0.201 22 Q C 1.170 177.181 176.000 0.018 0.000 0.972 22 Q CA 1.713 57.522 55.803 0.010 0.000 0.847 22 Q CB -0.039 28.705 28.738 0.010 0.000 0.903 22 Q HN 0.850 nan 8.270 nan 0.000 0.433 23 E N -0.575 119.647 120.200 0.038 0.000 2.393 23 E HA 0.566 4.916 4.350 0.000 0.000 0.273 23 E C -1.182 175.471 176.600 0.089 0.000 0.918 23 E CA -0.961 55.471 56.400 0.053 0.000 0.773 23 E CB 1.936 31.683 29.700 0.078 0.000 1.275 23 E HN -0.002 nan 8.360 nan 0.000 0.451 24 S N 0.651 116.394 115.700 0.073 0.000 2.569 24 S HA 0.582 5.052 4.470 0.000 0.000 0.280 24 S C -1.495 173.158 174.600 0.089 0.000 1.111 24 S CA -0.763 57.502 58.200 0.108 0.000 0.887 24 S CB 0.828 64.051 63.200 0.038 0.000 1.095 24 S HN 0.565 nan 8.310 nan 0.000 0.476 25 Y N 1.169 121.435 120.300 -0.057 0.000 2.391 25 Y HA 0.497 5.047 4.550 0.000 0.000 0.341 25 Y C 1.036 176.875 175.900 -0.102 0.000 0.965 25 Y CA -0.671 57.387 58.100 -0.070 0.000 1.067 25 Y CB 2.384 40.792 38.460 -0.086 0.000 1.199 25 Y HN 0.987 nan 8.280 nan 0.000 0.450 26 T N -1.531 113.041 114.554 0.029 0.000 2.788 26 T HA 0.100 4.450 4.350 0.000 0.000 0.287 26 T C 0.734 175.442 174.700 0.013 0.000 1.007 26 T CA -0.124 61.992 62.100 0.026 0.000 1.005 26 T CB 0.550 69.456 68.868 0.064 0.000 1.012 26 T HN 0.644 nan 8.240 nan 0.000 0.530 27 Y N 0.076 120.425 120.300 0.082 0.000 2.293 27 Y HA -0.080 4.470 4.550 0.000 0.000 0.291 27 Y C 3.027 178.948 175.900 0.035 0.000 1.137 27 Y CA 1.374 59.498 58.100 0.039 0.000 1.202 27 Y CB -0.149 38.311 38.460 -0.000 0.000 0.990 27 Y HN 0.667 nan 8.280 nan 0.000 0.537 28 Q N 0.836 120.727 119.800 0.152 0.000 2.079 28 Q HA -0.162 4.178 4.340 0.000 0.000 0.200 28 Q C 1.338 177.413 176.000 0.125 0.000 0.974 28 Q CA 2.071 57.934 55.803 0.102 0.000 0.840 28 Q CB -0.466 28.268 28.738 -0.006 0.000 0.898 28 Q HN 0.516 nan 8.270 nan 0.000 0.430 29 N N -0.387 118.368 118.700 0.092 0.000 2.104 29 N HA -0.143 4.597 4.740 0.000 0.000 0.190 29 N C 1.676 177.306 175.510 0.199 0.000 1.024 29 N CA 1.176 54.279 53.050 0.089 0.000 0.853 29 N CB -0.163 38.314 38.487 -0.017 0.000 1.008 29 N HN 0.212 nan 8.380 nan 0.000 0.424 30 L N -0.003 121.348 121.223 0.214 0.000 1.994 30 L HA -0.214 4.126 4.340 0.000 0.000 0.208 30 L C 2.248 179.170 176.870 0.088 0.000 1.071 30 L CA 1.451 56.370 54.840 0.133 0.000 0.745 30 L CB -0.381 41.672 42.059 -0.011 0.000 0.892 30 L HN 0.305 nan 8.230 nan 0.000 0.431 31 Y N -0.396 119.918 120.300 0.022 0.000 2.128 31 Y HA -0.364 4.186 4.550 0.000 0.000 0.284 31 Y C 2.790 178.701 175.900 0.018 0.000 1.154 31 Y CA 1.945 60.053 58.100 0.013 0.000 1.149 31 Y CB -0.526 37.956 38.460 0.036 0.000 0.976 31 Y HN 0.280 nan 8.280 nan 0.000 0.505 32 C N 0.663 119.949 119.300 -0.023 0.000 2.359 32 C HA -0.277 4.183 4.460 0.000 0.000 0.279 32 C C 2.743 177.653 174.990 -0.132 0.000 1.191 32 C CA 2.132 61.096 59.018 -0.090 0.000 1.764 32 C CB -1.115 26.636 27.740 0.019 0.000 2.026 32 C HN 0.722 nan 8.230 nan 0.000 0.442 33 E N -0.278 119.898 120.200 -0.039 0.000 2.077 33 E HA -0.155 4.195 4.350 0.000 0.000 0.193 33 E C 2.160 178.706 176.600 -0.090 0.000 0.989 33 E CA 1.245 57.630 56.400 -0.026 0.000 0.800 33 E CB -0.198 29.550 29.700 0.080 0.000 0.746 33 E HN 0.638 nan 8.360 nan 0.000 0.452 34 A N 0.088 122.838 122.820 -0.118 0.000 1.933 34 A HA -0.150 4.170 4.320 0.000 0.000 0.218 34 A C 2.321 179.774 177.584 -0.218 0.000 1.175 34 A CA 1.638 53.589 52.037 -0.143 0.000 0.628 34 A CB -0.468 18.479 19.000 -0.088 0.000 0.814 34 A HN 0.203 nan 8.150 nan 0.000 0.444 35 S N -0.455 115.029 115.700 -0.359 0.000 2.368 35 S HA -0.110 4.360 4.470 0.000 0.000 0.225 35 S C 1.792 176.258 174.600 -0.222 0.000 1.030 35 S CA 1.440 59.405 58.200 -0.390 0.000 0.999 35 S CB -0.352 62.481 63.200 -0.612 0.000 0.844 35 S HN 0.379 nan 8.310 nan 0.000 0.459 36 L N 0.946 122.063 121.223 -0.176 0.000 2.046 36 L HA -0.023 4.317 4.340 0.000 0.000 0.208 36 L C 2.120 178.933 176.870 -0.096 0.000 1.077 36 L CA 1.259 56.034 54.840 -0.109 0.000 0.747 36 L CB -0.875 41.137 42.059 -0.079 0.000 0.896 36 L HN 0.291 nan 8.230 nan 0.000 0.432 37 L N -0.635 120.521 121.223 -0.112 0.000 2.109 37 L HA -0.020 4.320 4.340 0.000 0.000 0.207 37 L C 2.475 179.269 176.870 -0.127 0.000 1.086 37 L CA 1.829 56.598 54.840 -0.119 0.000 0.760 37 L CB -0.975 41.001 42.059 -0.138 0.000 0.910 37 L HN 0.181 nan 8.230 nan 0.000 0.437 38 A N -0.554 122.188 122.820 -0.131 0.000 1.940 38 A HA -0.261 4.059 4.320 0.000 0.000 0.219 38 A C 2.458 180.005 177.584 -0.062 0.000 1.176 38 A CA 1.956 53.928 52.037 -0.109 0.000 0.631 38 A CB -0.619 18.302 19.000 -0.132 0.000 0.814 38 A HN 0.491 nan 8.150 nan 0.000 0.446 39 K N -0.740 119.623 120.400 -0.061 0.000 2.057 39 K HA -0.160 4.160 4.320 0.000 0.000 0.206 39 K C 2.234 178.833 176.600 -0.001 0.000 1.050 39 K CA 1.446 57.715 56.287 -0.029 0.000 0.935 39 K CB -0.122 32.355 32.500 -0.037 0.000 0.715 39 K HN 0.296 nan 8.250 nan 0.000 0.439 40 R N 0.650 121.145 120.500 -0.008 0.000 2.092 40 R HA 0.021 4.361 4.340 0.000 0.000 0.231 40 R C 2.236 178.609 176.300 0.121 0.000 1.119 40 R CA 0.914 57.036 56.100 0.036 0.000 0.970 40 R CB -0.244 30.065 30.300 0.015 0.000 0.864 40 R HN 0.219 nan 8.270 nan 0.000 0.440 41 L N -0.102 121.137 121.223 0.027 0.000 2.056 41 L HA -0.120 4.220 4.340 0.000 0.000 0.207 41 L C 2.141 179.143 176.870 0.219 0.000 1.078 41 L CA 1.064 55.918 54.840 0.024 0.000 0.749 41 L CB -0.341 41.600 42.059 -0.197 0.000 0.901 41 L HN 0.058 nan 8.230 nan 0.000 0.433 42 K N 0.882 121.362 120.400 0.134 0.000 2.147 42 K HA -0.106 4.214 4.320 0.000 0.000 0.205 42 K C 1.943 178.633 176.600 0.151 0.000 1.049 42 K CA 1.318 57.687 56.287 0.136 0.000 0.936 42 K CB -0.350 32.196 32.500 0.077 0.000 0.722 42 K HN 0.236 nan 8.250 nan 0.000 0.446 43 A N -0.733 122.168 122.820 0.134 0.000 2.125 43 A HA -0.138 4.182 4.320 0.000 0.000 0.219 43 A C 1.630 179.215 177.584 0.002 0.000 1.156 43 A CA 1.164 53.224 52.037 0.037 0.000 0.671 43 A CB -0.719 18.255 19.000 -0.044 0.000 0.794 43 A HN 0.435 nan 8.150 nan 0.000 0.459 44 Y N -1.309 119.053 120.300 0.103 0.000 2.519 44 Y HA 0.029 4.579 4.550 0.000 0.000 0.287 44 Y C 0.998 176.949 175.900 0.085 0.000 1.128 44 Y CA 0.945 59.113 58.100 0.114 0.000 1.282 44 Y CB -0.072 38.508 38.460 0.198 0.000 1.027 44 Y HN 0.426 nan 8.280 nan 0.000 0.551 45 Q N 0.709 120.636 119.800 0.212 0.000 2.453 45 Q HA -0.231 4.110 4.340 0.000 0.000 0.294 45 Q C -0.893 175.187 176.000 0.134 0.000 1.295 45 Q CA 0.259 56.145 55.803 0.138 0.000 0.853 45 Q CB -1.102 27.687 28.738 0.084 0.000 1.193 45 Q HN 0.422 nan 8.270 nan 0.000 0.461 46 Q N -0.505 119.394 119.800 0.164 0.000 2.333 46 Q HA 0.254 4.594 4.340 0.000 0.000 0.265 46 Q C 0.962 177.040 176.000 0.129 0.000 0.989 46 Q CA 0.274 56.149 55.803 0.121 0.000 0.842 46 Q CB 1.787 30.578 28.738 0.089 0.000 1.262 46 Q HN 0.325 nan 8.270 nan 0.000 0.451 47 S N 1.988 117.753 115.700 0.108 0.000 2.489 47 S HA 0.034 4.504 4.470 0.000 0.000 0.228 47 S C 0.705 175.380 174.600 0.125 0.000 0.995 47 S CA 0.263 58.533 58.200 0.117 0.000 0.934 47 S CB 0.472 63.729 63.200 0.095 0.000 0.771 47 S HN 0.531 nan 8.310 nan 0.000 0.522 48 R N 0.642 121.205 120.500 0.105 0.000 2.510 48 R HA 0.534 4.874 4.340 0.000 0.000 0.287 48 R C -1.488 174.852 176.300 0.067 0.000 1.084 48 R CA -0.536 55.624 56.100 0.099 0.000 0.934 48 R CB 2.040 32.392 30.300 0.086 0.000 1.201 48 R HN 0.220 nan 8.270 nan 0.000 0.431 49 V N 0.464 120.416 119.914 0.063 0.000 3.074 49 V HA 0.889 5.009 4.120 0.000 0.000 0.314 49 V C -0.038 176.050 176.094 -0.009 0.000 1.117 49 V CA -0.619 61.668 62.300 -0.023 0.000 1.014 49 V CB 1.867 33.630 31.823 -0.101 0.000 1.057 49 V HN 0.769 nan 8.190 nan 0.000 0.438 50 G N 1.359 110.111 108.800 -0.080 0.000 2.420 50 G HA2 0.610 4.570 3.960 0.000 0.000 0.284 50 G HA3 0.610 4.570 3.960 0.000 0.000 0.284 50 G C -1.346 173.535 174.900 -0.033 0.000 1.177 50 G CA -0.508 44.557 45.100 -0.058 0.000 0.841 50 G HN 0.717 nan 8.290 nan 0.000 0.527 51 L N 1.207 122.443 121.223 0.020 0.000 2.376 51 L HA 0.345 4.685 4.340 0.000 0.000 0.275 51 L C -1.247 175.667 176.870 0.075 0.000 0.987 51 L CA -0.978 53.895 54.840 0.055 0.000 0.828 51 L CB 1.810 43.889 42.059 0.033 0.000 1.249 51 L HN 0.570 nan 8.230 nan 0.000 0.409 52 Y N 5.944 126.209 120.300 -0.057 0.000 2.717 52 Y HA 0.664 5.215 4.550 0.000 0.000 0.329 52 Y C -0.177 175.702 175.900 -0.035 0.000 1.017 52 Y CA -0.760 57.297 58.100 -0.072 0.000 1.275 52 Y CB 0.345 38.748 38.460 -0.096 0.000 1.109 52 Y HN 0.491 nan 8.280 nan 0.000 0.511 53 I N 1.385 121.826 120.570 -0.215 0.000 3.322 53 I HA 0.725 4.895 4.170 0.000 0.000 0.313 53 I C -1.160 174.862 176.117 -0.159 0.000 1.129 53 I CA -1.137 60.078 61.300 -0.142 0.000 0.963 53 I CB 2.457 40.411 38.000 -0.078 0.000 1.273 53 I HN 0.300 nan 8.210 nan 0.000 0.473 54 D N 0.503 120.844 120.400 -0.098 0.000 2.714 54 D HA 0.256 4.896 4.640 0.000 0.000 0.278 54 D C -1.026 175.238 176.300 -0.060 0.000 1.102 54 D CA -0.735 53.226 54.000 -0.066 0.000 1.108 54 D CB 0.489 41.253 40.800 -0.060 0.000 1.444 54 D HN 0.453 nan 8.370 nan 0.000 0.568 55 N N -0.346 118.325 118.700 -0.050 0.000 2.739 55 N HA 0.319 5.059 4.740 0.000 0.000 0.266 55 N C -0.909 174.574 175.510 -0.044 0.000 1.168 55 N CA -0.040 52.980 53.050 -0.051 0.000 1.055 55 N CB -0.179 38.287 38.487 -0.035 0.000 1.393 55 N HN 0.469 nan 8.380 nan 0.000 0.514 56 S N -0.056 115.608 115.700 -0.060 0.000 2.618 56 S HA 0.460 4.930 4.470 0.000 0.000 0.277 56 S C 1.080 175.627 174.600 -0.089 0.000 1.138 56 S CA -0.842 57.323 58.200 -0.059 0.000 0.844 56 S CB 1.071 64.241 63.200 -0.051 0.000 1.127 56 S HN -0.011 nan 8.310 nan 0.000 0.474 57 I N 1.212 121.723 120.570 -0.097 0.000 2.118 57 I HA -0.202 3.968 4.170 0.000 0.000 0.241 57 I C 2.637 178.629 176.117 -0.209 0.000 1.070 57 I CA 1.740 62.935 61.300 -0.175 0.000 1.327 57 I CB -1.409 36.482 38.000 -0.181 0.000 1.034 57 I HN 0.718 nan 8.210 nan 0.000 0.405 58 Q N 0.039 119.749 119.800 -0.150 0.000 2.181 58 Q HA -0.174 4.166 4.340 0.000 0.000 0.205 58 Q C 2.394 178.315 176.000 -0.132 0.000 0.980 58 Q CA 1.827 57.550 55.803 -0.134 0.000 0.862 58 Q CB -0.578 28.112 28.738 -0.079 0.000 0.905 58 Q HN 0.531 nan 8.270 nan 0.000 0.429 59 S N 0.096 115.724 115.700 -0.121 0.000 2.406 59 S HA -0.051 4.419 4.470 0.000 0.000 0.228 59 S C 1.956 176.455 174.600 -0.168 0.000 1.020 59 S CA 0.432 58.556 58.200 -0.127 0.000 0.965 59 S CB -0.045 63.091 63.200 -0.105 0.000 0.798 59 S HN 0.318 nan 8.310 nan 0.000 0.488 60 I N 1.630 122.102 120.570 -0.163 0.000 2.353 60 I HA -0.089 4.081 4.170 0.000 0.000 0.248 60 I C 2.119 178.170 176.117 -0.110 0.000 1.119 60 I CA 0.585 61.791 61.300 -0.158 0.000 1.417 60 I CB -0.312 37.624 38.000 -0.106 0.000 1.078 60 I HN 0.298 nan 8.210 nan 0.000 0.421 61 I N 0.607 121.087 120.570 -0.151 0.000 2.118 61 I HA -0.308 3.863 4.170 0.000 0.000 0.241 61 I C 2.636 178.670 176.117 -0.138 0.000 1.070 61 I CA 1.696 62.913 61.300 -0.139 0.000 1.327 61 I CB -1.245 36.645 38.000 -0.185 0.000 1.034 61 I HN 0.283 nan 8.210 nan 0.000 0.405 62 L N 1.023 122.140 121.223 -0.177 0.000 2.042 62 L HA -0.150 4.190 4.340 0.000 0.000 0.210 62 L C 2.404 179.107 176.870 -0.279 0.000 1.076 62 L CA 1.664 56.376 54.840 -0.212 0.000 0.749 62 L CB -0.590 41.361 42.059 -0.181 0.000 0.893 62 L HN 0.086 nan 8.230 nan 0.000 0.432 63 I N -1.280 119.071 120.570 -0.365 0.000 2.142 63 I HA -0.323 3.847 4.170 0.000 0.000 0.240 63 I C 2.480 178.107 176.117 -0.816 0.000 1.078 63 I CA 1.245 62.141 61.300 -0.674 0.000 1.343 63 I CB -0.548 36.983 38.000 -0.782 0.000 1.046 63 I HN 0.369 nan 8.210 nan 0.000 0.405 64 H N 0.447 119.271 119.070 -0.411 0.000 2.353 64 H HA -0.069 4.487 4.556 0.000 0.000 0.300 64 H C 2.318 177.596 175.328 -0.083 0.000 1.090 64 H CA 1.579 57.547 56.048 -0.134 0.000 1.327 64 H CB -0.195 29.558 29.762 -0.015 0.000 1.383 64 H HN 0.363 nan 8.280 nan 0.000 0.508 65 A N 0.307 123.102 122.820 -0.043 0.000 1.933 65 A HA -0.171 4.149 4.320 0.000 0.000 0.218 65 A C 2.840 180.377 177.584 -0.078 0.000 1.175 65 A CA 1.470 53.449 52.037 -0.095 0.000 0.628 65 A CB -1.090 17.819 19.000 -0.153 0.000 0.814 65 A HN 0.485 nan 8.150 nan 0.000 0.444 66 C N -2.318 116.908 119.300 -0.124 0.000 2.429 66 C HA -0.135 4.325 4.460 0.000 0.000 0.277 66 C C 2.445 177.554 174.990 0.199 0.000 1.262 66 C CA 0.465 59.466 59.018 -0.029 0.000 1.733 66 C CB -1.475 26.194 27.740 -0.118 0.000 2.010 66 C HN 0.823 nan 8.230 nan 0.000 0.483 67 W N 0.797 122.193 121.300 0.160 0.000 2.381 67 W HA 0.067 4.727 4.660 0.000 0.000 0.301 67 W C 2.232 178.856 176.519 0.175 0.000 1.205 67 W CA 0.550 58.084 57.345 0.315 0.000 1.285 67 W CB -1.426 28.299 29.460 0.442 0.000 1.133 67 W HN 0.308 nan 8.180 nan 0.000 0.521 68 L N 0.137 121.412 121.223 0.086 0.000 2.265 68 L HA -0.101 4.239 4.340 0.000 0.000 0.215 68 L C 2.195 178.970 176.870 -0.159 0.000 1.117 68 L CA 1.268 55.828 54.840 -0.466 0.000 0.782 68 L CB -0.970 40.823 42.059 -0.444 0.000 0.914 68 L HN -0.126 nan 8.230 nan 0.000 0.441 69 A N -0.825 122.019 122.820 0.040 0.000 2.345 69 A HA 0.087 4.407 4.320 0.000 0.000 0.225 69 A C 0.680 178.371 177.584 0.177 0.000 1.243 69 A CA -0.102 51.986 52.037 0.085 0.000 0.875 69 A CB -0.516 18.517 19.000 0.055 0.000 0.929 69 A HN 0.585 nan 8.150 nan 0.000 0.502 70 N N -0.811 118.055 118.700 0.277 0.000 2.735 70 N HA -0.143 4.597 4.740 0.000 0.000 0.248 70 N C -0.762 174.909 175.510 0.270 0.000 1.083 70 N CA 0.627 53.857 53.050 0.299 0.000 0.703 70 N CB -1.193 37.426 38.487 0.221 0.000 1.005 70 N HN 0.595 nan 8.380 nan 0.000 0.550 71 I N 0.887 121.638 120.570 0.301 0.000 2.354 71 I HA 0.166 4.336 4.170 0.000 0.000 0.292 71 I C 0.515 176.825 176.117 0.322 0.000 0.989 71 I CA -0.614 60.844 61.300 0.263 0.000 1.188 71 I CB 1.203 39.338 38.000 0.225 0.000 1.342 71 I HN 0.052 nan 8.210 nan 0.000 0.457 72 E N 6.836 127.186 120.200 0.250 0.000 2.316 72 E HA 0.305 4.655 4.350 0.000 0.000 0.275 72 E C -0.485 176.231 176.600 0.192 0.000 1.029 72 E CA -0.328 56.209 56.400 0.229 0.000 0.871 72 E CB 1.204 30.994 29.700 0.150 0.000 1.022 72 E HN 0.486 nan 8.360 nan 0.000 0.418 73 I N -0.936 119.756 120.570 0.204 0.000 2.359 73 I HA 0.610 4.780 4.170 0.000 0.000 0.294 73 I C -0.405 175.782 176.117 0.115 0.000 0.987 73 I CA -1.034 60.346 61.300 0.133 0.000 1.225 73 I CB 1.598 39.637 38.000 0.066 0.000 1.366 73 I HN 0.346 nan 8.210 nan 0.000 0.466 74 A N 8.074 130.952 122.820 0.096 0.000 2.252 74 A HA 0.618 4.938 4.320 0.000 0.000 0.309 74 A C 0.010 177.658 177.584 0.107 0.000 1.285 74 A CA -0.675 51.430 52.037 0.115 0.000 0.900 74 A CB 0.647 19.729 19.000 0.137 0.000 1.157 74 A HN 0.752 nan 8.150 nan 0.000 0.536 75 M N 3.207 122.882 119.600 0.126 0.000 2.146 75 M HA 0.286 4.766 4.480 0.000 0.000 0.352 75 M C -0.382 175.970 176.300 0.087 0.000 1.343 75 M CA -0.011 55.351 55.300 0.103 0.000 1.115 75 M CB 0.130 32.805 32.600 0.126 0.000 1.657 75 M HN 0.507 nan 8.290 nan 0.000 0.471 76 I N 3.843 124.413 120.570 -0.001 0.000 2.315 76 I HA 0.133 4.303 4.170 0.000 0.000 0.291 76 I C 0.776 176.673 176.117 -0.367 0.000 1.006 76 I CA -0.631 60.613 61.300 -0.093 0.000 1.265 76 I CB 0.739 38.739 38.000 0.001 0.000 1.387 76 I HN 0.547 nan 8.210 nan 0.000 0.475 77 N N 4.509 122.919 118.700 -0.483 0.000 2.414 77 N HA -0.032 4.708 4.740 0.000 0.000 0.268 77 N C 0.959 176.053 175.510 -0.693 0.000 1.286 77 N CA 0.606 53.090 53.050 -0.945 0.000 0.896 77 N CB 0.906 39.114 38.487 -0.465 0.000 1.093 77 N HN 0.564 nan 8.380 nan 0.000 0.480 78 T N 3.630 117.607 114.554 -0.963 0.000 2.962 78 T HA -0.007 4.343 4.350 0.000 0.000 0.270 78 T C 1.430 176.031 174.700 -0.166 0.000 1.088 78 T CA 0.891 62.732 62.100 -0.431 0.000 1.127 78 T CB 0.121 68.744 68.868 -0.408 0.000 0.883 78 T HN 0.399 nan 8.240 nan 0.000 0.493 79 R N 0.381 120.772 120.500 -0.182 0.000 2.310 79 R HA 0.237 4.577 4.340 0.000 0.000 0.202 79 R C 0.024 176.298 176.300 -0.042 0.000 0.933 79 R CA -0.089 55.984 56.100 -0.045 0.000 1.054 79 R CB -0.500 29.816 30.300 0.026 0.000 0.985 79 R HN 0.286 nan 8.270 nan 0.000 0.489 80 L N 1.136 122.308 121.223 -0.085 0.000 2.436 80 L HA 0.088 4.428 4.340 0.000 0.000 0.265 80 L C 1.060 177.898 176.870 -0.054 0.000 1.168 80 L CA 0.232 55.029 54.840 -0.073 0.000 0.815 80 L CB 0.866 42.853 42.059 -0.120 0.000 1.109 80 L HN 0.112 nan 8.230 nan 0.000 0.462 81 T N -0.126 114.398 114.554 -0.050 0.000 2.860 81 T HA 0.222 4.572 4.350 0.000 0.000 0.299 81 T C -1.860 172.799 174.700 -0.068 0.000 1.045 81 T CA -1.349 60.725 62.100 -0.045 0.000 1.071 81 T CB 0.535 69.383 68.868 -0.032 0.000 0.985 81 T HN 0.458 nan 8.240 nan 0.000 0.537 82 P HA -0.124 nan 4.420 nan 0.000 0.217 82 P C 1.064 178.326 177.300 -0.064 0.000 1.151 82 P CA 1.294 64.347 63.100 -0.078 0.000 0.849 82 P CB -0.163 31.503 31.700 -0.057 0.000 0.787 83 N N -0.738 117.934 118.700 -0.046 0.000 2.084 83 N HA -0.147 4.593 4.740 0.000 0.000 0.190 83 N C 1.709 177.185 175.510 -0.057 0.000 1.030 83 N CA 1.093 54.122 53.050 -0.036 0.000 0.849 83 N CB -0.372 38.100 38.487 -0.025 0.000 1.012 83 N HN 0.271 nan 8.380 nan 0.000 0.423 84 E N 0.518 120.672 120.200 -0.078 0.000 2.047 84 E HA -0.122 4.228 4.350 0.000 0.000 0.191 84 E C 1.987 178.476 176.600 -0.186 0.000 0.987 84 E CA 0.875 57.206 56.400 -0.115 0.000 0.799 84 E CB -0.042 29.595 29.700 -0.105 0.000 0.752 84 E HN 0.333 nan 8.360 nan 0.000 0.449 85 M N 0.494 119.980 119.600 -0.190 0.000 2.089 85 M HA -0.222 4.258 4.480 0.000 0.000 0.257 85 M C 2.407 178.547 176.300 -0.267 0.000 1.071 85 M CA 1.712 56.859 55.300 -0.256 0.000 1.096 85 M CB -0.621 31.828 32.600 -0.252 0.000 1.330 85 M HN 0.159 nan 8.290 nan 0.000 0.403 86 T N 0.446 114.909 114.554 -0.150 0.000 2.674 86 T HA -0.110 4.241 4.350 0.000 0.000 0.265 86 T C 1.559 176.283 174.700 0.039 0.000 1.039 86 T CA 1.444 63.563 62.100 0.032 0.000 1.150 86 T CB -0.465 68.485 68.868 0.137 0.000 0.864 86 T HN 0.362 nan 8.240 nan 0.000 0.427 87 N N 1.241 119.915 118.700 -0.044 0.000 2.166 87 N HA -0.083 4.657 4.740 0.000 0.000 0.186 87 N C 2.077 177.497 175.510 -0.150 0.000 1.019 87 N CA 1.035 54.044 53.050 -0.067 0.000 0.856 87 N CB -0.258 38.194 38.487 -0.059 0.000 0.993 87 N HN 0.547 nan 8.380 nan 0.000 0.426 88 Q N -0.110 119.526 119.800 -0.274 0.000 2.016 88 Q HA 0.022 4.362 4.340 0.000 0.000 0.200 88 Q C 2.029 177.903 176.000 -0.210 0.000 0.978 88 Q CA 0.953 56.450 55.803 -0.511 0.000 0.833 88 Q CB -0.020 28.077 28.738 -1.068 0.000 0.895 88 Q HN 0.276 nan 8.270 nan 0.000 0.427 89 M N 0.256 119.763 119.600 -0.154 0.000 2.117 89 M HA -0.141 4.339 4.480 0.000 0.000 0.262 89 M C 1.947 178.319 176.300 0.120 0.000 1.065 89 M CA 1.493 56.792 55.300 -0.003 0.000 1.114 89 M CB -0.879 31.603 32.600 -0.196 0.000 1.361 89 M HN 0.158 nan 8.290 nan 0.000 0.408 90 R N 0.281 120.861 120.500 0.135 0.000 2.105 90 R HA -0.104 4.236 4.340 0.000 0.000 0.239 90 R C 2.309 178.582 176.300 -0.045 0.000 1.135 90 R CA 1.907 58.048 56.100 0.069 0.000 0.967 90 R CB -0.880 29.441 30.300 0.035 0.000 0.861 90 R HN 0.556 nan 8.270 nan 0.000 0.442 91 S N 1.164 116.764 115.700 -0.165 0.000 2.453 91 S HA -0.045 4.425 4.470 0.000 0.000 0.231 91 S C 1.777 176.253 174.600 -0.206 0.000 1.005 91 S CA 0.822 58.764 58.200 -0.430 0.000 0.949 91 S CB -0.189 62.339 63.200 -1.120 0.000 0.774 91 S HN 0.428 nan 8.310 nan 0.000 0.510 92 I N -1.220 119.349 120.570 -0.002 0.000 3.914 92 I HA 0.302 4.472 4.170 0.000 0.000 0.333 92 I C -0.762 175.396 176.117 0.067 0.000 1.449 92 I CA 0.223 61.563 61.300 0.067 0.000 1.135 92 I CB -1.019 37.047 38.000 0.109 0.000 1.073 92 I HN -0.015 nan 8.210 nan 0.000 0.401 93 D N 2.001 122.431 120.400 0.052 0.000 2.800 93 D HA -0.140 4.500 4.640 0.000 0.000 0.232 93 D C 0.353 176.696 176.300 0.072 0.000 1.137 93 D CA 0.994 55.026 54.000 0.052 0.000 0.718 93 D CB -1.252 39.574 40.800 0.043 0.000 1.084 93 D HN 0.515 nan 8.370 nan 0.000 0.432 94 V N -1.733 118.246 119.914 0.108 0.000 2.617 94 V HA 0.491 4.611 4.120 0.000 0.000 0.298 94 V C 0.777 176.994 176.094 0.205 0.000 1.048 94 V CA -0.083 62.286 62.300 0.115 0.000 0.964 94 V CB 2.320 34.188 31.823 0.075 0.000 1.004 94 V HN 0.071 nan 8.190 nan 0.000 0.466 95 Q N 2.201 122.089 119.800 0.147 0.000 2.215 95 Q HA 0.348 4.688 4.340 0.000 0.000 0.257 95 Q C -0.555 175.534 176.000 0.148 0.000 0.792 95 Q CA -0.060 55.836 55.803 0.156 0.000 0.958 95 Q CB 1.375 30.121 28.738 0.012 0.000 1.158 95 Q HN 0.778 nan 8.270 nan 0.000 0.490 96 L N 1.370 122.595 121.223 0.003 0.000 2.341 96 L HA 0.561 4.901 4.340 0.000 0.000 0.278 96 L C -1.250 175.420 176.870 -0.334 0.000 1.005 96 L CA -0.400 54.332 54.840 -0.180 0.000 0.818 96 L CB 1.344 43.233 42.059 -0.283 0.000 1.259 96 L HN -0.053 nan 8.230 nan 0.000 0.418 97 I N 5.469 125.820 120.570 -0.365 0.000 2.418 97 I HA 0.357 4.527 4.170 0.000 0.000 0.287 97 I C -0.886 174.999 176.117 -0.386 0.000 1.008 97 I CA -0.283 60.807 61.300 -0.351 0.000 1.104 97 I CB 1.263 39.120 38.000 -0.238 0.000 1.264 97 I HN 0.441 nan 8.210 nan 0.000 0.438 98 F N 5.513 125.405 119.950 -0.097 0.000 2.396 98 F HA 0.466 4.993 4.527 0.000 0.000 0.343 98 F C 0.659 176.435 175.800 -0.040 0.000 1.104 98 F CA -0.627 57.313 58.000 -0.101 0.000 1.161 98 F CB 1.000 39.921 39.000 -0.132 0.000 1.146 98 F HN 0.491 nan 8.300 nan 0.000 0.522 99 C N 0.105 119.507 119.300 0.169 0.000 2.712 99 C HA 0.663 5.123 4.460 0.000 0.000 0.308 99 C C 0.789 175.835 174.990 0.093 0.000 1.201 99 C CA -0.257 58.847 59.018 0.144 0.000 1.554 99 C CB 0.974 28.813 27.740 0.166 0.000 2.117 99 C HN 0.980 nan 8.230 nan 0.000 0.480 100 T N -0.579 114.014 114.554 0.066 0.000 3.054 100 T HA 0.304 4.654 4.350 0.000 0.000 0.255 100 T C 0.171 174.893 174.700 0.036 0.000 1.035 100 T CA 0.196 62.311 62.100 0.024 0.000 0.941 100 T CB -0.398 68.458 68.868 -0.019 0.000 1.026 100 T HN 1.290 nan 8.240 nan 0.000 0.533 101 L N -1.832 119.443 121.223 0.086 0.000 2.455 101 L HA 0.746 5.086 4.340 0.000 0.000 0.264 101 L C -3.170 173.819 176.870 0.198 0.000 0.968 101 L CA -2.676 52.228 54.840 0.107 0.000 0.827 101 L CB 1.544 43.634 42.059 0.052 0.000 1.317 101 L HN -0.356 nan 8.230 nan 0.000 0.407 102 P HA -0.053 nan 4.420 nan 0.000 0.252 102 P C -1.023 176.304 177.300 0.044 0.000 1.126 102 P CA 0.677 63.822 63.100 0.074 0.000 0.777 102 P CB 0.142 31.874 31.700 0.053 0.000 0.711 103 L N 2.962 124.141 121.223 -0.073 0.000 2.436 103 L HA 0.516 4.856 4.340 0.000 0.000 0.268 103 L C -0.675 176.085 176.870 -0.184 0.000 0.974 103 L CA -0.485 54.191 54.840 -0.273 0.000 0.826 103 L CB 2.339 44.010 42.059 -0.647 0.000 1.291 103 L HN 0.197 nan 8.230 nan 0.000 0.406 104 E N 4.398 124.495 120.200 -0.172 0.000 2.191 104 E HA 0.602 4.952 4.350 0.000 0.000 0.263 104 E C -2.062 174.468 176.600 -0.117 0.000 0.881 104 E CA -0.726 55.610 56.400 -0.107 0.000 0.757 104 E CB 1.728 31.389 29.700 -0.064 0.000 1.147 104 E HN 0.643 nan 8.360 nan 0.000 0.414 105 L N 4.414 125.593 121.223 -0.073 0.000 2.562 105 L HA 0.381 4.721 4.340 0.000 0.000 0.266 105 L C -1.007 175.922 176.870 0.097 0.000 0.949 105 L CA -0.272 54.557 54.840 -0.019 0.000 0.879 105 L CB 1.644 43.639 42.059 -0.107 0.000 1.278 105 L HN 0.525 nan 8.230 nan 0.000 0.404 106 R N 3.105 123.652 120.500 0.079 0.000 2.489 106 R HA 0.498 4.838 4.340 0.000 0.000 0.287 106 R C 0.835 177.154 176.300 0.031 0.000 1.053 106 R CA 0.851 56.979 56.100 0.046 0.000 1.036 106 R CB 0.553 30.856 30.300 0.006 0.000 0.966 106 R HN 0.987 nan 8.270 nan 0.000 0.432 107 G N 2.428 111.178 108.800 -0.085 0.000 2.141 107 G HA2 -0.252 3.709 3.960 0.000 0.000 0.231 107 G HA3 -0.252 3.709 3.960 0.000 0.000 0.231 107 G C -0.374 174.154 174.900 -0.620 0.000 0.984 107 G CA -0.528 44.375 45.100 -0.328 0.000 0.660 107 G HN 0.509 nan 8.290 nan 0.000 0.525 108 F N -0.038 119.871 119.950 -0.069 0.000 2.569 108 F HA 0.534 5.061 4.527 0.000 0.000 0.312 108 F C 0.228 175.979 175.800 -0.082 0.000 1.109 108 F CA -0.872 57.078 58.000 -0.083 0.000 0.919 108 F CB 1.990 40.926 39.000 -0.106 0.000 1.211 108 F HN 0.043 nan 8.300 nan 0.000 0.446 109 Q N 3.762 123.616 119.800 0.090 0.000 2.293 109 Q HA 0.481 4.821 4.340 0.000 0.000 0.263 109 Q C -1.194 174.797 176.000 -0.015 0.000 1.002 109 Q CA -0.039 55.782 55.803 0.030 0.000 0.910 109 Q CB 0.688 29.438 28.738 0.021 0.000 1.185 109 Q HN 0.645 nan 8.270 nan 0.000 0.401 110 I N 4.633 125.194 120.570 -0.015 0.000 2.382 110 I HA 0.292 4.462 4.170 0.000 0.000 0.286 110 I C -0.909 175.198 176.117 -0.016 0.000 1.002 110 I CA -0.777 60.493 61.300 -0.051 0.000 1.135 110 I CB 1.845 39.815 38.000 -0.050 0.000 1.288 110 I HN 0.329 nan 8.210 nan 0.000 0.448 111 V N 5.107 125.007 119.914 -0.024 0.000 2.495 111 V HA 0.425 4.545 4.120 0.000 0.000 0.298 111 V C 0.230 176.390 176.094 0.111 0.000 1.031 111 V CA -0.651 61.693 62.300 0.073 0.000 0.871 111 V CB 1.796 33.690 31.823 0.118 0.000 0.988 111 V HN 0.820 nan 8.190 nan 0.000 0.432 112 S N 4.127 119.880 115.700 0.089 0.000 2.610 112 S HA 0.404 4.874 4.470 0.000 0.000 0.273 112 S C 0.771 175.410 174.600 0.066 0.000 1.274 112 S CA -0.505 57.742 58.200 0.077 0.000 1.023 112 S CB 1.393 64.625 63.200 0.053 0.000 0.962 112 S HN 0.599 nan 8.310 nan 0.000 0.523 113 L N 1.261 122.506 121.223 0.035 0.000 2.191 113 L HA -0.015 4.325 4.340 0.000 0.000 0.212 113 L C 1.776 178.646 176.870 -0.000 0.000 1.103 113 L CA 1.792 56.625 54.840 -0.012 0.000 0.769 113 L CB -0.702 41.335 42.059 -0.036 0.000 0.908 113 L HN 0.869 nan 8.230 nan 0.000 0.438 114 D N -0.728 119.682 120.400 0.017 0.000 2.219 114 D HA -0.147 4.493 4.640 0.000 0.000 0.205 114 D C 1.441 177.757 176.300 0.028 0.000 0.970 114 D CA 0.976 54.987 54.000 0.019 0.000 0.851 114 D CB 0.113 40.926 40.800 0.022 0.000 0.943 114 D HN 0.419 nan 8.370 nan 0.000 0.488 115 D N -0.998 119.428 120.400 0.043 0.000 2.301 115 D HA 0.083 4.723 4.640 0.000 0.000 0.206 115 D C 2.067 178.410 176.300 0.072 0.000 0.979 115 D CA 0.078 54.113 54.000 0.060 0.000 0.874 115 D CB 0.112 40.959 40.800 0.079 0.000 0.968 115 D HN 0.282 nan 8.370 nan 0.000 0.510 116 I N 0.743 121.353 120.570 0.067 0.000 2.252 116 I HA -0.136 4.034 4.170 0.000 0.000 0.245 116 I C 0.978 177.118 176.117 0.038 0.000 1.102 116 I CA 1.042 62.386 61.300 0.073 0.000 1.385 116 I CB 0.066 38.074 38.000 0.015 0.000 1.064 116 I HN -0.079 nan 8.210 nan 0.000 0.414 155 N N 1.875 120.586 118.700 0.020 0.000 2.936 155 N HA 0.449 5.190 4.740 0.000 0.000 0.243 155 N C -1.159 174.386 175.510 0.059 0.000 1.149 155 N CA 0.157 53.227 53.050 0.033 0.000 0.914 155 N CB 1.361 39.861 38.487 0.021 0.000 1.179 155 N HN 0.847 nan 8.380 nan 0.000 0.502 156 T N -2.628 111.987 114.554 0.102 0.000 2.883 156 T HA 0.539 4.889 4.350 0.000 0.000 0.301 156 T C -0.479 174.368 174.700 0.245 0.000 1.158 156 T CA -0.741 61.461 62.100 0.170 0.000 1.007 156 T CB 2.307 71.308 68.868 0.221 0.000 1.186 156 T HN 0.001 nan 8.240 nan 0.000 0.499 157 S N 0.132 115.930 115.700 0.163 0.000 2.542 157 S HA 0.701 5.171 4.470 0.000 0.000 0.293 157 S C -1.524 172.875 174.600 -0.335 0.000 1.089 157 S CA -0.880 57.293 58.200 -0.045 0.000 0.961 157 S CB 0.963 64.107 63.200 -0.093 0.000 1.062 157 S HN 0.681 nan 8.310 nan 0.000 0.483 158 F N 4.180 123.530 119.950 -0.999 0.000 2.411 158 F HA 0.608 5.135 4.527 0.000 0.000 0.350 158 F C -0.097 175.264 175.800 -0.732 0.000 1.114 158 F CA -0.359 56.873 58.000 -1.280 0.000 1.135 158 F CB 0.653 38.566 39.000 -1.812 0.000 1.120 158 F HN 0.606 nan 8.300 nan 0.000 0.495 159 N N 5.645 123.540 118.700 -1.342 0.000 2.310 159 N HA 0.260 5.000 4.740 0.000 0.000 0.292 159 N C -0.080 174.773 175.510 -1.095 0.000 1.049 159 N CA -0.679 51.778 53.050 -0.988 0.000 0.849 159 N CB 1.555 39.748 38.487 -0.491 0.000 1.532 159 N HN 0.745 nan 8.380 nan 0.000 0.479 160 L N 1.080 121.784 121.223 -0.865 0.000 2.275 160 L HA 0.015 4.355 4.340 0.000 0.000 0.215 160 L C 0.556 177.303 176.870 -0.204 0.000 1.119 160 L CA 0.857 55.379 54.840 -0.530 0.000 0.790 160 L CB 0.006 41.866 42.059 -0.331 0.000 0.919 160 L HN 0.615 nan 8.230 nan 0.000 0.443 161 D N -0.377 119.899 120.400 -0.207 0.000 2.350 161 D HA -0.007 4.634 4.640 0.000 0.000 0.213 161 D C 0.129 176.390 176.300 -0.064 0.000 1.031 161 D CA 0.293 54.226 54.000 -0.112 0.000 0.861 161 D CB 0.105 40.834 40.800 -0.118 0.000 0.926 161 D HN 0.499 nan 8.370 nan 0.000 0.520 162 D N -0.179 120.201 120.400 -0.033 0.000 2.277 162 D HA 0.235 4.875 4.640 0.000 0.000 0.250 162 D C 0.329 176.677 176.300 0.081 0.000 1.032 162 D CA -0.645 53.374 54.000 0.033 0.000 0.947 162 D CB 1.227 42.052 40.800 0.041 0.000 1.159 162 D HN -0.101 nan 8.370 nan 0.000 0.460 163 I N 1.113 121.702 120.570 0.032 0.000 2.598 163 I HA 0.151 4.321 4.170 0.000 0.000 0.284 163 I C 1.225 177.291 176.117 -0.086 0.000 1.140 163 I CA -0.165 61.111 61.300 -0.040 0.000 1.420 163 I CB 0.984 38.981 38.000 -0.006 0.000 1.387 163 I HN 0.654 nan 8.210 nan 0.000 0.553 164 A N 5.089 127.666 122.820 -0.404 0.000 1.887 164 A HA 0.109 4.429 4.320 0.000 0.000 0.212 164 A C 0.846 178.495 177.584 0.107 0.000 1.198 164 A CA 1.056 52.684 52.037 -0.680 0.000 0.628 164 A CB -0.011 18.099 19.000 -1.483 0.000 0.847 164 A HN 0.726 nan 8.150 nan 0.000 0.449 165 S N -1.627 114.128 115.700 0.091 0.000 2.537 165 S HA 0.711 5.182 4.470 0.000 0.000 0.270 165 S C -1.117 173.530 174.600 0.079 0.000 1.142 165 S CA -0.628 57.684 58.200 0.186 0.000 0.870 165 S CB 1.120 64.498 63.200 0.296 0.000 1.112 165 S HN 0.231 nan 8.310 nan 0.000 0.466 166 I N 1.950 122.556 120.570 0.060 0.000 2.436 166 I HA 0.506 4.676 4.170 0.000 0.000 0.289 166 I C -0.438 175.662 176.117 -0.028 0.000 1.010 166 I CA -0.484 60.798 61.300 -0.030 0.000 1.098 166 I CB 1.783 39.744 38.000 -0.065 0.000 1.266 166 I HN 0.526 nan 8.210 nan 0.000 0.434 167 M N 5.175 124.731 119.600 -0.074 0.000 2.535 167 M HA 0.543 5.023 4.480 0.000 0.000 0.314 167 M C -1.291 174.961 176.300 -0.081 0.000 1.153 167 M CA -0.531 54.784 55.300 0.026 0.000 0.924 167 M CB 2.399 35.072 32.600 0.120 0.000 1.710 167 M HN 0.296 nan 8.290 nan 0.000 0.451 168 F N 0.502 120.535 119.950 0.139 0.000 2.422 168 F HA 0.411 4.938 4.527 0.000 0.000 0.333 168 F C 1.059 176.964 175.800 0.175 0.000 1.095 168 F CA -0.455 57.632 58.000 0.145 0.000 1.038 168 F CB 1.583 40.645 39.000 0.103 0.000 1.156 168 F HN 0.499 nan 8.300 nan 0.000 0.483 169 T N -1.693 113.060 114.554 0.332 0.000 2.813 169 T HA 0.100 4.450 4.350 0.000 0.000 0.297 169 T C 1.258 176.103 174.700 0.241 0.000 1.036 169 T CA -0.151 62.099 62.100 0.250 0.000 1.044 169 T CB 1.029 70.014 68.868 0.195 0.000 0.993 169 T HN 0.673 nan 8.240 nan 0.000 0.535 170 S N -0.011 115.796 115.700 0.179 0.000 2.423 170 S HA 0.159 4.629 4.470 0.000 0.000 0.231 170 S C 1.879 176.546 174.600 0.112 0.000 1.014 170 S CA 0.319 58.608 58.200 0.148 0.000 0.965 170 S CB -1.340 61.926 63.200 0.111 0.000 0.785 170 S HN 2.168 nan 8.310 nan 0.000 0.495 171 G N 1.459 110.322 108.800 0.106 0.000 2.314 171 G HA2 -0.289 3.671 3.960 0.000 0.000 0.292 171 G HA3 -0.289 3.671 3.960 0.000 0.000 0.292 171 G C 0.604 175.538 174.900 0.057 0.000 1.059 171 G CA 0.862 46.009 45.100 0.078 0.000 0.982 171 G HN 0.952 nan 8.290 nan 0.000 0.505 172 T N -3.963 110.625 114.554 0.057 0.000 2.937 172 T HA -0.004 4.346 4.350 0.000 0.000 0.260 172 T C 2.314 177.037 174.700 0.037 0.000 1.051 172 T CA 2.084 64.212 62.100 0.046 0.000 1.141 172 T CB -0.215 68.682 68.868 0.049 0.000 0.879 172 T HN 0.356 nan 8.240 nan 0.000 0.459 173 T N 0.926 115.502 114.554 0.037 0.000 2.770 173 T HA 0.390 4.740 4.350 0.000 0.000 0.258 173 T C 1.557 176.267 174.700 0.017 0.000 1.039 173 T CA 0.897 63.013 62.100 0.027 0.000 1.143 173 T CB -0.601 68.284 68.868 0.028 0.000 0.866 173 T HN 0.639 nan 8.240 nan 0.000 0.428 174 G N 1.686 110.493 108.800 0.012 0.000 3.359 174 G HA2 0.557 4.517 3.960 0.000 0.000 0.187 174 G HA3 0.557 4.517 3.960 0.000 0.000 0.187 174 G C -2.465 172.440 174.900 0.009 0.000 1.294 174 G CA -0.569 44.531 45.100 0.001 0.000 0.769 174 G HN 0.286 nan 8.290 nan 0.000 0.733 175 P HA 0.375 nan 4.420 nan 0.000 0.278 175 P C -1.206 176.129 177.300 0.058 0.000 1.258 175 P CA -0.368 62.748 63.100 0.026 0.000 0.811 175 P CB 1.112 32.806 31.700 -0.009 0.000 1.063 176 Q N 0.709 120.587 119.800 0.130 0.000 2.369 176 Q HA 0.188 4.528 4.340 0.000 0.000 0.247 176 Q C -0.391 175.823 176.000 0.356 0.000 1.083 176 Q CA 0.053 55.986 55.803 0.216 0.000 0.905 176 Q CB 0.167 29.007 28.738 0.170 0.000 1.305 176 Q HN 0.170 nan 8.270 nan 0.000 0.465 177 K N 1.415 121.937 120.400 0.205 0.000 2.249 177 K HA 0.406 4.726 4.320 0.000 0.000 0.280 177 K C -0.590 176.100 176.600 0.150 0.000 1.033 177 K CA -0.118 56.210 56.287 0.068 0.000 0.946 177 K CB 1.159 33.427 32.500 -0.387 0.000 1.005 177 K HN 0.568 nan 8.250 nan 0.000 0.469 178 A N 2.741 125.604 122.820 0.071 0.000 2.276 178 A HA 0.412 4.732 4.320 0.000 0.000 0.300 178 A C -0.730 176.852 177.584 -0.002 0.000 1.235 178 A CA -0.644 51.200 52.037 -0.321 0.000 0.867 178 A CB 0.446 19.258 19.000 -0.313 0.000 1.137 178 A HN 0.449 nan 8.150 nan 0.000 0.527 179 V N 6.247 126.100 119.914 -0.101 0.000 2.334 179 V HA 0.372 4.492 4.120 0.000 0.000 0.281 179 V C -2.242 173.786 176.094 -0.110 0.000 1.016 179 V CA -1.537 60.730 62.300 -0.055 0.000 0.832 179 V CB 1.538 33.334 31.823 -0.044 0.000 0.999 179 V HN 0.833 nan 8.190 nan 0.000 0.439 180 P HA 0.348 nan 4.420 nan 0.000 0.286 180 P C -1.130 176.081 177.300 -0.149 0.000 1.269 180 P CA -0.501 62.539 63.100 -0.100 0.000 0.787 180 P CB 0.898 32.555 31.700 -0.072 0.000 0.920 181 Q N 1.121 120.823 119.800 -0.163 0.000 2.339 181 Q HA 0.350 4.690 4.340 0.000 0.000 0.268 181 Q C 0.200 175.998 176.000 -0.336 0.000 1.027 181 Q CA -0.593 55.023 55.803 -0.312 0.000 0.759 181 Q CB 1.473 29.975 28.738 -0.393 0.000 1.244 181 Q HN 0.452 nan 8.270 nan 0.000 0.464 182 T N -1.807 112.571 114.554 -0.293 0.000 2.882 182 T HA 0.266 4.616 4.350 0.000 0.000 0.287 182 T C 0.780 175.369 174.700 -0.184 0.000 1.014 182 T CA -0.497 61.479 62.100 -0.206 0.000 1.049 182 T CB 0.440 69.247 68.868 -0.100 0.000 1.001 182 T HN 0.419 nan 8.240 nan 0.000 0.525 183 F N 0.078 120.023 119.950 -0.007 0.000 2.236 183 F HA -0.018 4.509 4.527 0.000 0.000 0.302 183 F C 2.770 178.736 175.800 0.276 0.000 1.073 183 F CA 1.318 59.403 58.000 0.142 0.000 1.336 183 F CB -0.466 38.472 39.000 -0.103 0.000 1.040 183 F HN 0.531 nan 8.300 nan 0.000 0.507 184 R N 0.913 121.561 120.500 0.248 0.000 2.062 184 R HA -0.112 4.228 4.340 0.000 0.000 0.229 184 R C 1.745 178.154 176.300 0.183 0.000 1.128 184 R CA 1.999 58.227 56.100 0.213 0.000 0.960 184 R CB -0.701 29.637 30.300 0.064 0.000 0.855 184 R HN 0.268 nan 8.270 nan 0.000 0.432 185 N N -0.660 118.051 118.700 0.018 0.000 2.037 185 N HA -0.231 4.509 4.740 0.000 0.000 0.196 185 N C 1.620 177.114 175.510 -0.026 0.000 1.034 185 N CA 1.614 54.614 53.050 -0.085 0.000 0.861 185 N CB -0.256 38.067 38.487 -0.273 0.000 1.039 185 N HN 0.327 nan 8.380 nan 0.000 0.427 186 H N -0.934 118.197 119.070 0.102 0.000 2.389 186 H HA -0.110 4.446 4.556 0.000 0.000 0.299 186 H C 1.733 177.150 175.328 0.149 0.000 1.081 186 H CA 1.028 57.139 56.048 0.104 0.000 1.345 186 H CB -0.417 29.407 29.762 0.104 0.000 1.393 186 H HN 0.403 nan 8.280 nan 0.000 0.520 187 Y N 1.255 121.724 120.300 0.281 0.000 2.184 187 Y HA -0.063 4.487 4.550 0.000 0.000 0.290 187 Y C 2.651 178.618 175.900 0.111 0.000 1.129 187 Y CA 1.335 59.545 58.100 0.182 0.000 1.144 187 Y CB -0.371 38.308 38.460 0.366 0.000 0.995 187 Y HN 0.116 nan 8.280 nan 0.000 0.513 188 A N -0.890 121.997 122.820 0.112 0.000 1.940 188 A HA -0.225 4.095 4.320 0.000 0.000 0.219 188 A C 2.486 180.048 177.584 -0.036 0.000 1.176 188 A CA 2.013 54.048 52.037 -0.003 0.000 0.631 188 A CB -1.395 17.643 19.000 0.063 0.000 0.814 188 A HN 0.505 nan 8.150 nan 0.000 0.446 189 S N -0.738 114.974 115.700 0.020 0.000 2.382 189 S HA -0.005 4.465 4.470 0.000 0.000 0.228 189 S C 2.140 176.771 174.600 0.051 0.000 1.027 189 S CA 1.479 59.710 58.200 0.052 0.000 0.991 189 S CB -0.405 62.845 63.200 0.083 0.000 0.823 189 S HN 0.786 nan 8.310 nan 0.000 0.469 190 A N 1.961 124.784 122.820 0.005 0.000 1.897 190 A HA 0.060 4.380 4.320 0.000 0.000 0.215 190 A C 2.139 179.773 177.584 0.084 0.000 1.181 190 A CA 1.327 53.408 52.037 0.073 0.000 0.620 190 A CB -0.840 18.145 19.000 -0.025 0.000 0.821 190 A HN 0.787 nan 8.150 nan 0.000 0.443 191 I N -2.593 117.875 120.570 -0.170 0.000 2.394 191 I HA 0.011 4.181 4.170 0.000 0.000 0.251 191 I C 2.077 178.132 176.117 -0.104 0.000 1.136 191 I CA 1.509 62.684 61.300 -0.207 0.000 1.425 191 I CB -0.778 36.986 38.000 -0.393 0.000 1.079 191 I HN 0.139 nan 8.210 nan 0.000 0.425 192 G N 0.333 109.107 108.800 -0.044 0.000 2.421 192 G HA2 -0.244 3.716 3.960 0.000 0.000 0.217 192 G HA3 -0.244 3.716 3.960 0.000 0.000 0.217 192 G C 1.760 176.689 174.900 0.047 0.000 1.143 192 G CA 0.763 45.868 45.100 0.010 0.000 0.784 192 G HN 0.572 nan 8.290 nan 0.000 0.541 193 C N 0.096 119.460 119.300 0.107 0.000 2.450 193 C HA 0.214 4.674 4.460 0.000 0.000 0.279 193 C C 2.625 177.677 174.990 0.103 0.000 1.335 193 C CA 1.236 60.377 59.018 0.205 0.000 1.749 193 C CB -0.644 27.317 27.740 0.367 0.000 1.963 193 C HN 0.421 nan 8.230 nan 0.000 0.501 194 K N 0.434 120.734 120.400 -0.167 0.000 2.147 194 K HA -0.156 4.164 4.320 0.000 0.000 0.205 194 K C 2.253 178.642 176.600 -0.351 0.000 1.049 194 K CA 1.294 57.140 56.287 -0.736 0.000 0.936 194 K CB -0.294 31.757 32.500 -0.749 0.000 0.722 194 K HN 0.597 nan 8.250 nan 0.000 0.446 195 E N 0.475 120.574 120.200 -0.168 0.000 2.016 195 E HA -0.131 4.219 4.350 0.000 0.000 0.190 195 E C 1.906 178.481 176.600 -0.042 0.000 0.985 195 E CA 1.696 58.042 56.400 -0.090 0.000 0.802 195 E CB -0.099 29.572 29.700 -0.048 0.000 0.762 195 E HN 0.314 nan 8.360 nan 0.000 0.448 196 S N 0.026 115.728 115.700 0.003 0.000 2.395 196 S HA -0.089 4.381 4.470 0.000 0.000 0.225 196 S C 2.019 176.658 174.600 0.064 0.000 1.027 196 S CA 0.916 59.149 58.200 0.054 0.000 0.965 196 S CB -0.063 63.187 63.200 0.083 0.000 0.812 196 S HN 0.242 nan 8.310 nan 0.000 0.482 197 L N 1.301 122.533 121.223 0.014 0.000 2.379 197 L HA 0.558 4.898 4.340 0.000 0.000 0.190 197 L C 0.813 177.606 176.870 -0.129 0.000 1.111 197 L CA 1.694 56.460 54.840 -0.123 0.000 0.820 197 L CB -0.233 41.794 42.059 -0.053 0.000 1.046 197 L HN 0.644 nan 8.230 nan 0.000 0.485 198 G N -0.701 108.056 108.800 -0.071 0.000 3.233 198 G HA2 0.138 4.098 3.960 0.000 0.000 0.686 198 G HA3 0.138 4.098 3.960 0.000 0.000 0.686 198 G C -0.789 174.150 174.900 0.066 0.000 1.153 198 G CA -0.314 44.705 45.100 -0.135 0.000 0.853 198 G HN 0.772 nan 8.290 nan 0.000 0.582 199 F N -0.202 119.760 119.950 0.021 0.000 2.741 199 F HA 0.851 5.378 4.527 0.000 0.000 0.313 199 F C -0.465 175.319 175.800 -0.027 0.000 1.153 199 F CA -1.176 56.765 58.000 -0.099 0.000 0.931 199 F CB 0.938 39.757 39.000 -0.302 0.000 1.335 199 F HN 0.572 nan 8.300 nan 0.000 0.460 200 D N -0.969 119.547 120.400 0.194 0.000 2.867 200 D HA 0.408 5.048 4.640 0.000 0.000 0.308 200 D C 0.161 176.619 176.300 0.263 0.000 1.202 200 D CA -0.968 53.133 54.000 0.168 0.000 1.035 200 D CB 1.142 41.995 40.800 0.088 0.000 1.427 200 D HN 0.598 nan 8.370 nan 0.000 0.570 201 R N -0.185 120.423 120.500 0.180 0.000 2.189 201 R HA -0.004 4.336 4.340 0.000 0.000 0.218 201 R C 0.117 176.557 176.300 0.234 0.000 1.074 201 R CA 0.952 57.139 56.100 0.145 0.000 0.991 201 R CB 0.116 30.427 30.300 0.019 0.000 0.883 201 R HN 0.352 nan 8.270 nan 0.000 0.457 202 D N -0.316 120.211 120.400 0.213 0.000 2.350 202 D HA -0.002 4.638 4.640 0.000 0.000 0.213 202 D C -0.080 176.315 176.300 0.159 0.000 1.031 202 D CA 0.439 54.574 54.000 0.225 0.000 0.861 202 D CB 0.354 41.243 40.800 0.149 0.000 0.926 202 D HN 0.019 nan 8.370 nan 0.000 0.520 203 T N 1.759 116.352 114.554 0.064 0.000 2.908 203 T HA -0.016 4.334 4.350 0.000 0.000 0.301 203 T C 0.379 175.061 174.700 -0.030 0.000 1.019 203 T CA 0.222 62.214 62.100 -0.181 0.000 1.152 203 T CB 0.371 68.751 68.868 -0.812 0.000 0.966 203 T HN -0.067 nan 8.240 nan 0.000 0.540 204 N N 2.767 121.473 118.700 0.009 0.000 2.564 204 N HA 0.168 4.908 4.740 0.000 0.000 0.248 204 N C -1.574 174.008 175.510 0.121 0.000 0.986 204 N CA -0.664 52.457 53.050 0.119 0.000 0.921 204 N CB 0.529 39.081 38.487 0.108 0.000 1.136 204 N HN 0.592 nan 8.380 nan 0.000 0.509 205 W N 6.126 127.424 121.300 -0.004 0.000 2.291 205 W HA 0.382 5.042 4.660 0.000 0.000 0.312 205 W C -0.851 175.712 176.519 0.074 0.000 1.061 205 W CA -0.987 56.364 57.345 0.011 0.000 1.296 205 W CB 0.436 29.872 29.460 -0.040 0.000 1.223 205 W HN 0.363 nan 8.180 nan 0.000 0.421 206 L N 5.863 127.319 121.223 0.389 0.000 2.361 206 L HA 0.199 4.539 4.340 0.000 0.000 0.278 206 L C 0.200 177.288 176.870 0.363 0.000 1.113 206 L CA 0.484 55.497 54.840 0.288 0.000 0.849 206 L CB 0.842 43.006 42.059 0.174 0.000 1.155 206 L HN 0.304 nan 8.230 nan 0.000 0.452 207 S N 3.798 119.633 115.700 0.225 0.000 2.640 207 S HA 0.345 4.815 4.470 0.000 0.000 0.320 207 S C 0.088 174.747 174.600 0.098 0.000 1.097 207 S CA -0.604 57.683 58.200 0.146 0.000 1.092 207 S CB 1.746 64.962 63.200 0.027 0.000 0.988 207 S HN 0.610 nan 8.310 nan 0.000 0.470 208 V N 6.296 126.281 119.914 0.119 0.000 3.539 208 V HA 0.460 4.580 4.120 0.000 0.000 0.262 208 V C 0.381 176.523 176.094 0.080 0.000 1.381 208 V CA 0.111 62.482 62.300 0.119 0.000 1.060 208 V CB -0.057 31.894 31.823 0.213 0.000 0.842 208 V HN 0.808 nan 8.190 nan 0.000 0.445 209 L N 2.354 123.609 121.223 0.054 0.000 2.499 209 L HA 0.195 4.535 4.340 0.000 0.000 0.281 209 L C -1.958 174.855 176.870 -0.095 0.000 1.234 209 L CA -1.245 53.591 54.840 -0.007 0.000 0.839 209 L CB -0.358 41.698 42.059 -0.004 0.000 1.104 209 L HN 0.144 nan 8.230 nan 0.000 0.500 210 P HA -0.043 nan 4.420 nan 0.000 0.262 210 P C 0.760 177.808 177.300 -0.420 0.000 1.182 210 P CA 0.386 63.187 63.100 -0.499 0.000 0.761 210 P CB 0.516 31.605 31.700 -1.019 0.000 0.795 211 I N 3.804 124.172 120.570 -0.337 0.000 2.361 211 I HA -0.282 3.888 4.170 0.000 0.000 0.251 211 I C 1.546 177.573 176.117 -0.150 0.000 1.133 211 I CA 1.337 62.520 61.300 -0.194 0.000 1.413 211 I CB -0.099 37.824 38.000 -0.129 0.000 1.073 211 I HN 0.428 nan 8.210 nan 0.000 0.424 212 Y N -1.698 118.543 120.300 -0.097 0.000 2.583 212 Y HA 0.155 4.705 4.550 0.000 0.000 0.293 212 Y C 0.849 176.667 175.900 -0.137 0.000 1.157 212 Y CA -0.185 57.832 58.100 -0.137 0.000 1.315 212 Y CB -1.157 37.175 38.460 -0.213 0.000 1.021 212 Y HN 0.177 nan 8.280 nan 0.000 0.536 213 H N -0.856 118.170 119.070 -0.073 0.000 2.651 213 H HA 0.258 4.814 4.556 0.000 0.000 0.353 213 H C 0.399 175.717 175.328 -0.016 0.000 1.178 213 H CA -0.864 55.189 56.048 0.009 0.000 1.224 213 H CB 1.989 31.728 29.762 -0.039 0.000 1.702 213 H HN 0.031 nan 8.280 nan 0.000 0.550 214 I N 0.587 121.261 120.570 0.174 0.000 2.361 214 I HA -0.217 3.953 4.170 0.000 0.000 0.251 214 I C 1.716 177.849 176.117 0.028 0.000 1.133 214 I CA 1.477 62.832 61.300 0.092 0.000 1.413 214 I CB -0.317 37.733 38.000 0.085 0.000 1.073 214 I HN 0.487 nan 8.210 nan 0.000 0.424 215 S N 0.172 115.878 115.700 0.009 0.000 2.423 215 S HA -0.042 4.428 4.470 0.000 0.000 0.231 215 S C 1.955 176.522 174.600 -0.055 0.000 1.014 215 S CA 1.009 59.198 58.200 -0.018 0.000 0.965 215 S CB -0.674 62.520 63.200 -0.009 0.000 0.785 215 S HN 0.669 nan 8.310 nan 0.000 0.495 216 G N 1.072 109.836 108.800 -0.061 0.000 2.441 216 G HA2 0.011 3.971 3.960 0.000 0.000 0.212 216 G HA3 0.011 3.971 3.960 0.000 0.000 0.212 216 G C 1.305 176.133 174.900 -0.120 0.000 1.164 216 G CA 0.157 45.198 45.100 -0.099 0.000 0.811 216 G HN 0.391 nan 8.290 nan 0.000 0.535 217 L N 2.011 123.186 121.223 -0.079 0.000 2.056 217 L HA -0.018 4.322 4.340 0.000 0.000 0.207 217 L C 3.162 179.965 176.870 -0.113 0.000 1.078 217 L CA 2.345 57.143 54.840 -0.070 0.000 0.749 217 L CB -0.575 41.482 42.059 -0.003 0.000 0.901 217 L HN 0.331 nan 8.230 nan 0.000 0.433 218 S N -1.610 114.024 115.700 -0.110 0.000 2.387 218 S HA -0.225 4.245 4.470 0.000 0.000 0.230 218 S C 1.953 176.373 174.600 -0.300 0.000 1.035 218 S CA 1.563 59.673 58.200 -0.150 0.000 1.014 218 S CB -1.419 61.734 63.200 -0.078 0.000 0.836 218 S HN 0.266 nan 8.310 nan 0.000 0.466 219 V N 2.485 122.154 119.914 -0.407 0.000 2.287 219 V HA -0.170 3.950 4.120 0.000 0.000 0.248 219 V C 2.597 178.443 176.094 -0.412 0.000 1.053 219 V CA 2.044 63.956 62.300 -0.647 0.000 1.027 219 V CB -0.919 30.468 31.823 -0.727 0.000 0.646 219 V HN 0.504 nan 8.190 nan 0.000 0.447 220 L N -1.057 120.018 121.223 -0.245 0.000 2.083 220 L HA -0.194 4.146 4.340 0.000 0.000 0.209 220 L C 2.371 179.191 176.870 -0.084 0.000 1.083 220 L CA 1.392 56.156 54.840 -0.127 0.000 0.752 220 L CB -0.534 41.480 42.059 -0.074 0.000 0.899 220 L HN 0.312 nan 8.230 nan 0.000 0.433 221 L N -0.767 120.383 121.223 -0.122 0.000 2.023 221 L HA -0.122 4.218 4.340 0.000 0.000 0.205 221 L C 2.795 179.496 176.870 -0.281 0.000 1.073 221 L CA 1.130 55.896 54.840 -0.124 0.000 0.745 221 L CB -0.416 41.537 42.059 -0.176 0.000 0.900 221 L HN 0.065 nan 8.230 nan 0.000 0.435 222 R N -0.052 120.241 120.500 -0.345 0.000 2.113 222 R HA -0.251 4.089 4.340 0.000 0.000 0.244 222 R C 2.364 178.224 176.300 -0.733 0.000 1.142 222 R CA 1.620 57.467 56.100 -0.421 0.000 0.953 222 R CB -0.775 29.207 30.300 -0.530 0.000 0.860 222 R HN 0.423 nan 8.270 nan 0.000 0.438 223 A N 0.315 122.499 122.820 -1.060 0.000 1.873 223 A HA -0.178 4.142 4.320 0.000 0.000 0.218 223 A C 2.329 179.520 177.584 -0.654 0.000 1.193 223 A CA 1.893 53.021 52.037 -1.516 0.000 0.629 223 A CB -0.833 17.714 19.000 -0.756 0.000 0.826 223 A HN 0.236 nan 8.150 nan 0.000 0.447 224 V N -0.444 119.311 119.914 -0.265 0.000 2.719 224 V HA -0.111 4.009 4.120 0.000 0.000 0.252 224 V C 2.222 178.153 176.094 -0.273 0.000 1.065 224 V CA 1.661 63.915 62.300 -0.077 0.000 1.086 224 V CB -0.362 31.630 31.823 0.282 0.000 0.700 224 V HN 0.553 nan 8.190 nan 0.000 0.467 225 I N -0.123 120.182 120.570 -0.441 0.000 2.286 225 I HA -0.130 4.040 4.170 0.000 0.000 0.245 225 I C 2.420 178.356 176.117 -0.302 0.000 1.104 225 I CA 1.659 62.600 61.300 -0.599 0.000 1.397 225 I CB -0.086 37.506 38.000 -0.681 0.000 1.072 225 I HN 0.305 nan 8.210 nan 0.000 0.417 226 E N 0.603 120.682 120.200 -0.202 0.000 2.250 226 E HA 0.058 4.408 4.350 0.000 0.000 0.192 226 E C 1.292 177.837 176.600 -0.092 0.000 0.986 226 E CA 0.864 57.261 56.400 -0.005 0.000 0.849 226 E CB 0.302 30.232 29.700 0.384 0.000 0.797 226 E HN 0.347 nan 8.360 nan 0.000 0.482 227 G N 0.011 108.651 108.800 -0.268 0.000 2.131 227 G HA2 -0.234 3.726 3.960 0.000 0.000 0.201 227 G HA3 -0.234 3.726 3.960 0.000 0.000 0.201 227 G C 0.133 174.960 174.900 -0.121 0.000 1.000 227 G CA 0.132 45.012 45.100 -0.366 0.000 0.680 227 G HN 0.329 nan 8.290 nan 0.000 0.514 228 F N -0.002 119.994 119.950 0.078 0.000 2.377 228 F HA 0.888 5.415 4.527 0.000 0.000 0.335 228 F C 0.465 176.448 175.800 0.304 0.000 1.099 228 F CA -0.751 57.351 58.000 0.169 0.000 1.072 228 F CB 0.618 39.697 39.000 0.132 0.000 1.417 228 F HN 0.002 nan 8.300 nan 0.000 0.495 229 T N 1.609 116.597 114.554 0.723 0.000 2.795 229 T HA 0.451 4.801 4.350 0.000 0.000 0.282 229 T C -0.859 174.114 174.700 0.456 0.000 0.980 229 T CA -0.579 61.783 62.100 0.437 0.000 1.012 229 T CB 1.366 70.426 68.868 0.320 0.000 0.936 229 T HN 0.690 nan 8.240 nan 0.000 0.457 230 V N 4.517 124.583 119.914 0.254 0.000 2.370 230 V HA 0.686 4.806 4.120 0.000 0.000 0.283 230 V C -0.257 175.920 176.094 0.138 0.000 1.023 230 V CA -1.058 61.375 62.300 0.221 0.000 0.857 230 V CB 1.164 33.063 31.823 0.127 0.000 0.985 230 V HN 0.761 nan 8.190 nan 0.000 0.443 231 R N 5.932 126.526 120.500 0.156 0.000 2.205 231 R HA 0.466 4.806 4.340 0.000 0.000 0.342 231 R C -0.818 175.534 176.300 0.086 0.000 1.058 231 R CA -0.360 55.802 56.100 0.103 0.000 0.904 231 R CB 0.512 30.871 30.300 0.098 0.000 1.089 231 R HN 0.798 nan 8.270 nan 0.000 0.471 232 I N 5.268 125.867 120.570 0.048 0.000 2.395 232 I HA 0.257 4.427 4.170 0.000 0.000 0.289 232 I C -1.002 175.130 176.117 0.025 0.000 1.023 232 I CA -0.237 61.079 61.300 0.027 0.000 1.350 232 I CB 1.273 39.268 38.000 -0.007 0.000 1.409 232 I HN 0.442 nan 8.210 nan 0.000 0.507 233 V N 7.858 127.791 119.914 0.032 0.000 2.487 233 V HA 0.262 4.382 4.120 0.000 0.000 0.298 233 V C 0.514 176.623 176.094 0.024 0.000 1.028 233 V CA -0.576 61.740 62.300 0.028 0.000 0.860 233 V CB 1.406 33.255 31.823 0.044 0.000 0.991 233 V HN 0.769 nan 8.190 nan 0.000 0.427 234 D N 3.189 123.597 120.400 0.013 0.000 2.084 234 D HA -0.069 4.571 4.640 0.000 0.000 0.194 234 D C 0.789 177.109 176.300 0.033 0.000 0.990 234 D CA 1.628 55.635 54.000 0.012 0.000 0.826 234 D CB 0.369 41.172 40.800 0.005 0.000 0.971 234 D HN 0.728 nan 8.370 nan 0.000 0.453 235 K N -1.505 118.923 120.400 0.045 0.000 2.482 235 K HA 0.230 4.550 4.320 0.000 0.000 0.257 235 K C -1.107 175.562 176.600 0.115 0.000 0.969 235 K CA -0.948 55.392 56.287 0.088 0.000 0.842 235 K CB 1.031 33.575 32.500 0.074 0.000 1.359 235 K HN -0.068 nan 8.250 nan 0.000 0.441 236 F N 2.800 122.785 119.950 0.059 0.000 2.502 236 F HA 0.170 4.697 4.527 0.000 0.000 0.371 236 F C -0.228 175.611 175.800 0.065 0.000 1.083 236 F CA 0.276 58.326 58.000 0.083 0.000 1.174 236 F CB 0.373 39.457 39.000 0.139 0.000 1.096 236 F HN 0.612 nan 8.300 nan 0.000 0.545 237 N N 4.788 123.145 118.700 -0.573 0.000 2.410 237 N HA 0.339 5.080 4.740 0.000 0.000 0.287 237 N C 0.099 175.168 175.510 -0.735 0.000 1.044 237 N CA 0.066 52.827 53.050 -0.482 0.000 0.881 237 N CB 1.983 40.333 38.487 -0.229 0.000 1.405 237 N HN 0.715 nan 8.380 nan 0.000 0.490 238 A N 3.052 125.505 122.820 -0.611 0.000 2.014 238 A HA -0.082 4.238 4.320 0.000 0.000 0.218 238 A C 1.748 179.215 177.584 -0.195 0.000 1.163 238 A CA 1.088 52.891 52.037 -0.391 0.000 0.652 238 A CB -0.206 18.828 19.000 0.056 0.000 0.808 238 A HN 0.847 nan 8.150 nan 0.000 0.449 239 E N -0.269 119.829 120.200 -0.170 0.000 2.046 239 E HA -0.195 4.155 4.350 0.000 0.000 0.190 239 E C 2.142 178.665 176.600 -0.128 0.000 0.982 239 E CA 1.095 57.424 56.400 -0.118 0.000 0.800 239 E CB -0.117 29.525 29.700 -0.097 0.000 0.756 239 E HN 0.751 nan 8.360 nan 0.000 0.449 240 Q N 0.207 119.917 119.800 -0.150 0.000 2.124 240 Q HA -0.124 4.216 4.340 0.000 0.000 0.202 240 Q C 2.257 178.181 176.000 -0.128 0.000 0.977 240 Q CA 1.233 56.959 55.803 -0.128 0.000 0.850 240 Q CB -0.015 28.651 28.738 -0.120 0.000 0.901 240 Q HN 0.377 nan 8.270 nan 0.000 0.429 241 I N 0.417 120.884 120.570 -0.171 0.000 2.315 241 I HA -0.252 3.918 4.170 0.000 0.000 0.248 241 I C 2.219 178.286 176.117 -0.083 0.000 1.117 241 I CA 0.724 61.950 61.300 -0.124 0.000 1.404 241 I CB -0.133 37.767 38.000 -0.167 0.000 1.071 241 I HN 0.284 nan 8.210 nan 0.000 0.419 242 L N 0.387 121.555 121.223 -0.092 0.000 2.046 242 L HA -0.228 4.112 4.340 0.000 0.000 0.208 242 L C 2.567 179.343 176.870 -0.157 0.000 1.077 242 L CA 1.855 56.639 54.840 -0.094 0.000 0.747 242 L CB -0.505 41.508 42.059 -0.076 0.000 0.896 242 L HN 0.291 nan 8.230 nan 0.000 0.432 243 T N -0.025 114.447 114.554 -0.137 0.000 2.720 243 T HA -0.269 4.081 4.350 0.000 0.000 0.268 243 T C 1.873 176.492 174.700 -0.136 0.000 1.037 243 T CA 1.810 63.825 62.100 -0.142 0.000 1.144 243 T CB -0.216 68.589 68.868 -0.106 0.000 0.864 243 T HN 0.283 nan 8.240 nan 0.000 0.444 244 M N 0.321 119.860 119.600 -0.101 0.000 2.065 244 M HA -0.060 4.420 4.480 0.000 0.000 0.259 244 M C 2.292 178.542 176.300 -0.083 0.000 1.069 244 M CA 1.779 57.037 55.300 -0.071 0.000 1.110 244 M CB -0.693 31.884 32.600 -0.038 0.000 1.328 244 M HN 0.198 nan 8.290 nan 0.000 0.405 245 I N 0.008 120.518 120.570 -0.099 0.000 2.208 245 I HA -0.331 3.839 4.170 0.000 0.000 0.245 245 I C 2.370 178.346 176.117 -0.236 0.000 1.097 245 I CA 1.520 62.756 61.300 -0.106 0.000 1.363 245 I CB -0.430 37.535 38.000 -0.059 0.000 1.051 245 I HN 0.286 nan 8.210 nan 0.000 0.413 246 K N 0.318 120.460 120.400 -0.429 0.000 2.057 246 K HA -0.119 4.202 4.320 0.000 0.000 0.206 246 K C 1.739 178.191 176.600 -0.248 0.000 1.050 246 K CA 1.442 57.380 56.287 -0.581 0.000 0.935 246 K CB -0.105 32.037 32.500 -0.596 0.000 0.715 246 K HN 0.291 nan 8.250 nan 0.000 0.439 247 N N 0.437 119.040 118.700 -0.162 0.000 2.439 247 N HA -0.029 4.711 4.740 0.000 0.000 0.176 247 N C 0.668 176.147 175.510 -0.050 0.000 1.029 247 N CA 0.764 53.761 53.050 -0.089 0.000 0.886 247 N CB 0.399 38.839 38.487 -0.078 0.000 1.057 247 N HN 0.190 nan 8.380 nan 0.000 0.437 248 E N 0.870 121.044 120.200 -0.044 0.000 2.444 248 E HA 0.210 4.561 4.350 0.000 0.000 0.191 248 E C -0.410 176.192 176.600 0.003 0.000 1.041 248 E CA -0.160 56.231 56.400 -0.015 0.000 0.883 248 E CB 0.284 29.979 29.700 -0.008 0.000 1.024 248 E HN 0.151 nan 8.360 nan 0.000 0.470 249 R N 0.818 121.320 120.500 0.002 0.000 3.531 249 R HA -0.166 4.174 4.340 0.000 0.000 0.280 249 R C -0.218 176.103 176.300 0.035 0.000 1.130 249 R CA 0.297 56.410 56.100 0.023 0.000 0.757 249 R CB -1.896 28.419 30.300 0.026 0.000 1.218 249 R HN 0.186 nan 8.270 nan 0.000 0.454 250 I N 1.466 122.053 120.570 0.029 0.000 2.668 250 I HA -0.070 4.100 4.170 0.000 0.000 0.285 250 I C 2.225 178.357 176.117 0.025 0.000 1.168 250 I CA 1.283 62.604 61.300 0.036 0.000 1.424 250 I CB 0.634 38.652 38.000 0.030 0.000 1.377 250 I HN 0.318 nan 8.210 nan 0.000 0.560 251 T N 2.678 117.249 114.554 0.028 0.000 3.034 251 T HA 0.131 4.481 4.350 0.000 0.000 0.248 251 T C 0.520 175.137 174.700 -0.138 0.000 1.040 251 T CA 0.286 62.394 62.100 0.013 0.000 1.107 251 T CB 0.109 69.054 68.868 0.128 0.000 0.932 251 T HN 0.550 nan 8.240 nan 0.000 0.474 252 H N -0.317 118.529 119.070 -0.373 0.000 2.768 252 H HA 0.817 5.373 4.556 0.000 0.000 0.371 252 H C -1.332 173.641 175.328 -0.593 0.000 1.151 252 H CA -1.112 54.493 56.048 -0.738 0.000 1.165 252 H CB 2.134 30.965 29.762 -1.550 0.000 1.722 252 H HN 0.288 nan 8.280 nan 0.000 0.543 253 I N 0.732 121.061 120.570 -0.402 0.000 2.722 253 I HA 0.344 4.514 4.170 0.000 0.000 0.292 253 I C -1.091 175.103 176.117 0.129 0.000 1.267 253 I CA -0.226 61.062 61.300 -0.020 0.000 1.036 253 I CB 1.596 39.623 38.000 0.044 0.000 1.281 253 I HN 0.482 nan 8.210 nan 0.000 0.423 254 S N 7.187 123.106 115.700 0.367 0.000 2.433 254 S HA 0.754 5.224 4.470 0.000 0.000 0.310 254 S C -0.635 174.071 174.600 0.175 0.000 1.097 254 S CA -0.465 57.919 58.200 0.306 0.000 1.103 254 S CB 0.937 64.364 63.200 0.380 0.000 0.992 254 S HN 0.371 nan 8.310 nan 0.000 0.469 255 L N 2.238 123.523 121.223 0.103 0.000 2.322 255 L HA 0.717 5.057 4.340 0.000 0.000 0.252 255 L C -0.513 176.341 176.870 -0.027 0.000 1.055 255 L CA -1.313 53.546 54.840 0.032 0.000 0.849 255 L CB 1.652 43.733 42.059 0.036 0.000 1.446 255 L HN 0.435 nan 8.230 nan 0.000 0.416 256 V N -2.706 117.141 119.914 -0.112 0.000 2.850 256 V HA 0.469 4.589 4.120 0.000 0.000 0.315 256 V C -2.201 173.790 176.094 -0.173 0.000 1.064 256 V CA -1.606 60.614 62.300 -0.135 0.000 0.979 256 V CB 1.181 32.904 31.823 -0.167 0.000 1.039 256 V HN 0.536 nan 8.190 nan 0.000 0.452 257 P HA -0.240 nan 4.420 nan 0.000 0.217 257 P C 1.725 178.862 177.300 -0.272 0.000 1.158 257 P CA 2.023 65.028 63.100 -0.159 0.000 0.887 257 P CB 0.139 31.762 31.700 -0.127 0.000 0.792 258 Q N -0.850 118.705 119.800 -0.408 0.000 2.061 258 Q HA -0.173 4.167 4.340 0.000 0.000 0.204 258 Q C 2.003 177.402 176.000 -1.000 0.000 0.984 258 Q CA 2.724 58.074 55.803 -0.755 0.000 0.846 258 Q CB -0.535 27.698 28.738 -0.842 0.000 0.902 258 Q HN 0.336 nan 8.270 nan 0.000 0.421 259 T N -0.577 113.534 114.554 -0.738 0.000 2.867 259 T HA -0.145 4.205 4.350 0.000 0.000 0.268 259 T C 1.778 176.427 174.700 -0.085 0.000 1.057 259 T CA 0.998 62.753 62.100 -0.576 0.000 1.136 259 T CB -0.366 67.962 68.868 -0.900 0.000 0.874 259 T HN 0.251 nan 8.240 nan 0.000 0.466 260 L N 2.262 123.430 121.223 -0.093 0.000 1.994 260 L HA -0.022 4.318 4.340 0.000 0.000 0.208 260 L C 2.327 179.236 176.870 0.065 0.000 1.071 260 L CA 2.032 56.891 54.840 0.032 0.000 0.745 260 L CB -1.173 40.889 42.059 0.004 0.000 0.892 260 L HN 0.380 nan 8.230 nan 0.000 0.431 261 N N -1.247 117.432 118.700 -0.035 0.000 2.094 261 N HA -0.271 4.469 4.740 0.000 0.000 0.191 261 N C 1.703 177.326 175.510 0.188 0.000 1.023 261 N CA 1.731 54.790 53.050 0.015 0.000 0.857 261 N CB -0.243 38.183 38.487 -0.101 0.000 1.013 261 N HN 0.475 nan 8.380 nan 0.000 0.426 262 W N 1.287 122.656 121.300 0.116 0.000 2.436 262 W HA 0.056 4.716 4.660 0.000 0.000 0.284 262 W C 2.117 178.749 176.519 0.189 0.000 1.225 262 W CA 0.051 57.494 57.345 0.165 0.000 1.271 262 W CB -0.881 28.718 29.460 0.233 0.000 1.114 262 W HN 0.143 nan 8.180 nan 0.000 0.559 263 L N -0.421 121.057 121.223 0.425 0.000 2.056 263 L HA -0.212 4.128 4.340 0.000 0.000 0.207 263 L C 2.458 179.459 176.870 0.218 0.000 1.078 263 L CA 1.136 56.151 54.840 0.292 0.000 0.749 263 L CB -0.714 41.509 42.059 0.272 0.000 0.901 263 L HN -0.123 nan 8.230 nan 0.000 0.433 264 M N -0.964 118.769 119.600 0.221 0.000 2.159 264 M HA -0.242 4.238 4.480 0.000 0.000 0.263 264 M C 2.219 178.688 176.300 0.282 0.000 1.063 264 M CA 1.689 57.127 55.300 0.229 0.000 1.110 264 M CB -0.503 32.222 32.600 0.208 0.000 1.374 264 M HN 0.303 nan 8.290 nan 0.000 0.411 265 Q N 0.001 119.953 119.800 0.253 0.000 2.170 265 Q HA -0.162 4.178 4.340 0.000 0.000 0.203 265 Q C 2.033 178.130 176.000 0.163 0.000 0.976 265 Q CA 0.976 56.915 55.803 0.228 0.000 0.858 265 Q CB -0.094 28.779 28.738 0.224 0.000 0.907 265 Q HN 0.514 nan 8.270 nan 0.000 0.433 266 Q N -0.962 118.916 119.800 0.131 0.000 2.369 266 Q HA -0.023 4.317 4.340 0.000 0.000 0.206 266 Q C 0.907 176.884 176.000 -0.038 0.000 0.963 266 Q CA 1.174 57.003 55.803 0.044 0.000 0.894 266 Q CB 0.742 29.503 28.738 0.038 0.000 0.965 266 Q HN 0.572 nan 8.270 nan 0.000 0.475 267 G N 0.998 109.754 108.800 -0.073 0.000 2.145 267 G HA2 -0.192 3.769 3.960 0.000 0.000 0.145 267 G HA3 -0.192 3.769 3.960 0.000 0.000 0.145 267 G C -0.443 174.323 174.900 -0.223 0.000 1.017 267 G CA -0.132 44.712 45.100 -0.427 0.000 0.682 267 G HN 0.241 nan 8.290 nan 0.000 0.504 268 L N 1.328 122.582 121.223 0.053 0.000 2.448 268 L HA 0.528 4.868 4.340 0.000 0.000 0.278 268 L C 0.925 177.834 176.870 0.064 0.000 1.201 268 L CA 0.086 55.006 54.840 0.134 0.000 1.036 268 L CB -0.989 41.159 42.059 0.149 0.000 1.325 268 L HN 0.368 nan 8.230 nan 0.000 0.441 269 H N 2.943 121.797 119.070 -0.359 0.000 2.893 269 H HA 0.243 4.799 4.556 0.000 0.000 0.270 269 H C -0.272 174.725 175.328 -0.551 0.000 1.095 269 H CA 0.055 55.536 56.048 -0.945 0.000 1.186 269 H CB 1.026 30.309 29.762 -0.797 0.000 1.562 269 H HN 0.665 nan 8.280 nan 0.000 0.536 270 E N -0.053 119.992 120.200 -0.258 0.000 2.392 270 E HA 0.197 4.547 4.350 0.000 0.000 0.279 270 E C -2.703 173.689 176.600 -0.346 0.000 0.964 270 E CA -2.107 54.112 56.400 -0.302 0.000 0.777 270 E CB 2.225 31.666 29.700 -0.432 0.000 1.249 270 E HN -0.245 nan 8.360 nan 0.000 0.449 271 P HA -0.186 nan 4.420 nan 0.000 0.216 271 P C -0.317 176.975 177.300 -0.013 0.000 1.154 271 P CA 1.735 64.784 63.100 -0.085 0.000 0.865 271 P CB -0.268 31.394 31.700 -0.062 0.000 0.789 272 Y N -2.838 117.458 120.300 -0.006 0.000 2.865 272 Y HA -0.338 4.212 4.550 0.000 0.000 0.468 272 Y C 1.320 177.214 175.900 -0.010 0.000 1.176 272 Y CA 1.820 59.914 58.100 -0.010 0.000 2.599 272 Y CB -2.350 36.101 38.460 -0.014 0.000 1.207 272 Y HN -0.008 nan 8.280 nan 0.000 0.627 273 N N 0.459 119.264 118.700 0.175 0.000 2.268 273 N HA 0.313 5.053 4.740 0.000 0.000 0.204 273 N C -0.895 174.635 175.510 0.033 0.000 1.124 273 N CA -0.173 52.923 53.050 0.077 0.000 0.838 273 N CB 0.042 38.568 38.487 0.065 0.000 0.994 273 N HN 0.130 nan 8.380 nan 0.000 0.489 274 L N 1.217 122.458 121.223 0.031 0.000 2.410 274 L HA 0.044 4.384 4.340 0.000 0.000 0.273 274 L C 1.244 178.064 176.870 -0.084 0.000 1.152 274 L CA 0.331 55.146 54.840 -0.041 0.000 0.855 274 L CB 0.923 42.969 42.059 -0.022 0.000 1.129 274 L HN 0.203 nan 8.230 nan 0.000 0.463 275 Q N 2.046 121.732 119.800 -0.190 0.000 2.423 275 Q HA 0.194 4.534 4.340 0.000 0.000 0.231 275 Q C -0.432 175.390 176.000 -0.296 0.000 0.894 275 Q CA 0.460 56.140 55.803 -0.205 0.000 0.938 275 Q CB 0.833 29.455 28.738 -0.194 0.000 1.079 275 Q HN 0.414 nan 8.270 nan 0.000 0.552 276 K N 0.958 121.022 120.400 -0.560 0.000 2.535 276 K HA 0.435 4.756 4.320 0.000 0.000 0.250 276 K C -1.226 175.142 176.600 -0.387 0.000 0.948 276 K CA -0.271 55.688 56.287 -0.546 0.000 0.796 276 K CB 2.337 34.256 32.500 -0.969 0.000 1.216 276 K HN -0.002 nan 8.250 nan 0.000 0.432 277 I N 3.621 124.128 120.570 -0.104 0.000 2.371 277 I HA 0.190 4.360 4.170 0.000 0.000 0.282 277 I C -0.439 175.703 176.117 0.043 0.000 1.031 277 I CA -0.973 60.306 61.300 -0.035 0.000 1.180 277 I CB 1.063 39.081 38.000 0.030 0.000 1.336 277 I HN 0.288 nan 8.210 nan 0.000 0.467 278 L N 8.448 129.679 121.223 0.014 0.000 2.265 278 L HA 0.553 4.893 4.340 0.000 0.000 0.288 278 L C -0.799 176.134 176.870 0.106 0.000 1.058 278 L CA 0.142 55.038 54.840 0.093 0.000 0.809 278 L CB 0.585 42.729 42.059 0.142 0.000 1.179 278 L HN 0.426 nan 8.230 nan 0.000 0.429 279 L N 4.888 126.169 121.223 0.096 0.000 2.333 279 L HA 1.009 5.349 4.340 0.000 0.000 0.269 279 L C 0.276 177.174 176.870 0.047 0.000 1.010 279 L CA -0.583 54.289 54.840 0.054 0.000 0.818 279 L CB 1.935 44.013 42.059 0.031 0.000 1.306 279 L HN 0.744 nan 8.230 nan 0.000 0.430 280 G N -1.122 107.687 108.800 0.016 0.000 2.523 280 G HA2 0.499 4.459 3.960 0.000 0.000 0.291 280 G HA3 0.499 4.459 3.960 0.000 0.000 0.291 280 G C 0.044 174.932 174.900 -0.020 0.000 1.450 280 G CA 0.254 45.357 45.100 0.005 0.000 0.790 280 G HN 0.913 nan 8.290 nan 0.000 0.496 281 G N -1.326 107.465 108.800 -0.014 0.000 2.284 281 G HA2 0.315 4.275 3.960 0.000 0.000 0.230 281 G HA3 0.315 4.275 3.960 0.000 0.000 0.230 281 G C 0.611 175.507 174.900 -0.007 0.000 1.021 281 G CA 1.268 46.352 45.100 -0.026 0.000 0.619 281 G HN 2.383 nan 8.290 nan 0.000 0.510 282 A N -0.483 122.329 122.820 -0.014 0.000 2.527 282 A HA 0.818 5.138 4.320 0.000 0.000 0.293 282 A C -0.102 177.470 177.584 -0.020 0.000 1.117 282 A CA 0.212 52.236 52.037 -0.023 0.000 0.723 282 A CB 1.186 20.150 19.000 -0.060 0.000 1.313 282 A HN 0.583 nan 8.150 nan 0.000 0.411 283 K N -0.163 120.223 120.400 -0.024 0.000 2.436 283 K HA 0.330 4.651 4.320 0.000 0.000 0.275 283 K C -1.142 175.432 176.600 -0.044 0.000 0.999 283 K CA 0.013 56.281 56.287 -0.031 0.000 0.980 283 K CB 0.295 32.781 32.500 -0.025 0.000 0.919 283 K HN 0.495 nan 8.250 nan 0.000 0.484 284 L N 4.015 125.210 121.223 -0.047 0.000 2.319 284 L HA 0.286 4.626 4.340 0.000 0.000 0.281 284 L C -0.703 176.134 176.870 -0.055 0.000 1.005 284 L CA -0.007 54.801 54.840 -0.052 0.000 0.828 284 L CB 1.274 43.304 42.059 -0.048 0.000 1.227 284 L HN 0.709 nan 8.230 nan 0.000 0.415 285 S N 3.559 119.226 115.700 -0.054 0.000 2.565 285 S HA 0.501 4.971 4.470 0.000 0.000 0.276 285 S C 1.369 175.932 174.600 -0.062 0.000 1.326 285 S CA -0.095 58.074 58.200 -0.052 0.000 1.045 285 S CB 1.451 64.624 63.200 -0.045 0.000 0.918 285 S HN 0.904 nan 8.310 nan 0.000 0.505 286 A N 3.060 125.839 122.820 -0.068 0.000 1.978 286 A HA -0.046 4.274 4.320 0.000 0.000 0.220 286 A C 2.163 179.694 177.584 -0.087 0.000 1.170 286 A CA 2.080 54.065 52.037 -0.087 0.000 0.636 286 A CB -1.696 17.251 19.000 -0.088 0.000 0.810 286 A HN 0.919 nan 8.150 nan 0.000 0.448 287 T N -0.685 113.827 114.554 -0.069 0.000 2.812 287 T HA -0.092 4.258 4.350 0.000 0.000 0.264 287 T C 1.932 176.595 174.700 -0.061 0.000 1.042 287 T CA 1.436 63.497 62.100 -0.064 0.000 1.140 287 T CB -0.230 68.609 68.868 -0.047 0.000 0.870 287 T HN 0.477 nan 8.240 nan 0.000 0.445 288 M N 0.414 119.984 119.600 -0.051 0.000 2.175 288 M HA 0.015 4.495 4.480 0.000 0.000 0.264 288 M C 2.021 178.296 176.300 -0.042 0.000 1.063 288 M CA 1.413 56.691 55.300 -0.037 0.000 1.119 288 M CB -0.290 32.288 32.600 -0.036 0.000 1.377 288 M HN 0.209 nan 8.290 nan 0.000 0.415 289 I N 0.356 120.890 120.570 -0.060 0.000 2.099 289 I HA -0.326 3.844 4.170 0.000 0.000 0.239 289 I C 2.277 178.347 176.117 -0.077 0.000 1.066 289 I CA 1.320 62.579 61.300 -0.068 0.000 1.324 289 I CB -0.544 37.402 38.000 -0.090 0.000 1.037 289 I HN 0.261 nan 8.210 nan 0.000 0.401 290 E N 0.390 120.528 120.200 -0.104 0.000 2.160 290 E HA -0.172 4.179 4.350 0.000 0.000 0.195 290 E C 2.232 178.756 176.600 -0.128 0.000 0.991 290 E CA 1.691 58.020 56.400 -0.119 0.000 0.810 290 E CB -0.671 28.949 29.700 -0.134 0.000 0.742 290 E HN 0.505 nan 8.360 nan 0.000 0.466 291 T N 1.096 115.580 114.554 -0.118 0.000 2.777 291 T HA -0.060 4.290 4.350 0.000 0.000 0.266 291 T C 1.966 176.602 174.700 -0.108 0.000 1.040 291 T CA 1.449 63.452 62.100 -0.161 0.000 1.141 291 T CB -0.174 68.647 68.868 -0.079 0.000 0.868 291 T HN 0.285 nan 8.240 nan 0.000 0.444 292 A N 1.405 124.221 122.820 -0.007 0.000 1.873 292 A HA 0.089 4.410 4.320 0.000 0.000 0.215 292 A C 2.313 179.921 177.584 0.040 0.000 1.186 292 A CA 1.004 53.081 52.037 0.066 0.000 0.616 292 A CB -0.832 18.194 19.000 0.043 0.000 0.823 292 A HN 0.448 nan 8.150 nan 0.000 0.442 293 L N -0.998 120.217 121.223 -0.013 0.000 2.083 293 L HA -0.230 4.111 4.340 0.000 0.000 0.209 293 L C 2.703 179.558 176.870 -0.024 0.000 1.083 293 L CA 1.501 56.336 54.840 -0.008 0.000 0.752 293 L CB -0.557 41.509 42.059 0.011 0.000 0.899 293 L HN 0.492 nan 8.230 nan 0.000 0.433 294 Q N -1.429 118.313 119.800 -0.097 0.000 2.435 294 Q HA -0.112 4.228 4.340 0.000 0.000 0.207 294 Q C 1.191 177.107 176.000 -0.141 0.000 0.956 294 Q CA 0.698 56.411 55.803 -0.149 0.000 0.917 294 Q CB 0.238 28.836 28.738 -0.234 0.000 0.997 294 Q HN 0.434 nan 8.270 nan 0.000 0.497 295 Y N 0.614 120.885 120.300 -0.048 0.000 2.461 295 Y HA 0.079 4.629 4.550 0.000 0.000 0.277 295 Y C 0.178 176.053 175.900 -0.042 0.000 1.182 295 Y CA -0.465 57.606 58.100 -0.048 0.000 1.276 295 Y CB 0.089 38.520 38.460 -0.050 0.000 1.087 295 Y HN 0.120 nan 8.280 nan 0.000 0.519 296 N N -0.043 118.714 118.700 0.094 0.000 2.735 296 N HA -0.224 4.516 4.740 0.000 0.000 0.248 296 N C -0.786 174.747 175.510 0.037 0.000 1.083 296 N CA 0.580 53.654 53.050 0.040 0.000 0.703 296 N CB -1.753 36.744 38.487 0.017 0.000 1.005 296 N HN 0.334 nan 8.380 nan 0.000 0.550 297 L N 1.391 122.652 121.223 0.063 0.000 2.319 297 L HA 0.252 4.592 4.340 0.000 0.000 0.280 297 L C -1.433 175.454 176.870 0.029 0.000 1.099 297 L CA -1.426 53.446 54.840 0.053 0.000 0.828 297 L CB 0.638 42.748 42.059 0.085 0.000 1.150 297 L HN -0.183 nan 8.230 nan 0.000 0.442 298 P HA 0.121 nan 4.420 nan 0.000 0.237 298 P C -0.395 176.968 177.300 0.105 0.000 1.788 298 P CA -0.185 62.944 63.100 0.049 0.000 1.061 298 P CB -0.539 31.203 31.700 0.070 0.000 1.967 299 I N -0.503 120.076 120.570 0.015 0.000 2.395 299 I HA 0.427 4.597 4.170 0.000 0.000 0.289 299 I C -0.690 175.412 176.117 -0.026 0.000 1.023 299 I CA -0.810 60.517 61.300 0.045 0.000 1.350 299 I CB 0.327 38.334 38.000 0.012 0.000 1.409 299 I HN -0.000 nan 8.210 nan 0.000 0.507 300 Y N 4.369 124.657 120.300 -0.020 0.000 2.350 300 Y HA 0.431 4.981 4.550 0.000 0.000 0.338 300 Y C 0.092 175.995 175.900 0.004 0.000 0.961 300 Y CA -0.671 57.427 58.100 -0.005 0.000 1.100 300 Y CB 1.712 40.172 38.460 -0.000 0.000 1.179 300 Y HN 0.656 nan 8.280 nan 0.000 0.454 301 N N 1.390 120.161 118.700 0.119 0.000 2.489 301 N HA 0.627 5.367 4.740 0.000 0.000 0.284 301 N C -1.082 174.488 175.510 0.100 0.000 1.158 301 N CA -0.285 52.813 53.050 0.080 0.000 0.965 301 N CB 1.331 39.831 38.487 0.022 0.000 1.195 301 N HN 0.656 nan 8.380 nan 0.000 0.506 302 S N 0.321 116.067 115.700 0.077 0.000 2.596 302 S HA 0.658 5.128 4.470 0.000 0.000 0.270 302 S C -1.623 173.025 174.600 0.080 0.000 1.155 302 S CA -0.884 57.356 58.200 0.068 0.000 0.827 302 S CB 0.947 64.189 63.200 0.070 0.000 1.130 302 S HN 0.384 nan 8.310 nan 0.000 0.467 303 F N 0.417 120.260 119.950 -0.179 0.000 2.561 303 F HA 0.812 5.339 4.527 0.000 0.000 0.313 303 F C -0.006 175.595 175.800 -0.330 0.000 1.126 303 F CA 0.475 58.329 58.000 -0.243 0.000 0.918 303 F CB 1.739 40.548 39.000 -0.318 0.000 1.199 303 F HN 1.204 nan 8.300 nan 0.000 0.444 304 G N 5.805 114.115 108.800 -0.817 0.000 2.623 304 G HA2 0.629 4.589 3.960 0.000 0.000 0.290 304 G HA3 0.629 4.589 3.960 0.000 0.000 0.290 304 G C -1.805 172.839 174.900 -0.426 0.000 1.437 304 G CA -1.051 43.797 45.100 -0.421 0.000 0.798 304 G HN 0.732 nan 8.290 nan 0.000 0.488 305 M N -0.926 118.617 119.600 -0.095 0.000 2.704 305 M HA 0.497 4.977 4.480 0.000 0.000 0.284 305 M C 0.858 177.149 176.300 -0.016 0.000 1.275 305 M CA -0.820 54.441 55.300 -0.065 0.000 0.811 305 M CB 1.022 33.641 32.600 0.032 0.000 1.741 305 M HN 0.365 nan 8.290 nan 0.000 0.458 306 T N 0.271 114.827 114.554 0.004 0.000 2.685 306 T HA -0.157 4.193 4.350 0.000 0.000 0.268 306 T C 1.311 175.975 174.700 -0.059 0.000 1.034 306 T CA 2.571 64.682 62.100 0.018 0.000 1.149 306 T CB -0.347 68.567 68.868 0.076 0.000 0.860 306 T HN 0.749 nan 8.240 nan 0.000 0.449 307 E N 0.730 120.853 120.200 -0.128 0.000 2.268 307 E HA -0.050 4.300 4.350 0.000 0.000 0.195 307 E C 2.209 178.576 176.600 -0.388 0.000 0.995 307 E CA 1.302 57.474 56.400 -0.379 0.000 0.836 307 E CB -0.165 29.091 29.700 -0.740 0.000 0.763 307 E HN 0.685 nan 8.360 nan 0.000 0.491 308 T N -3.665 110.769 114.554 -0.200 0.000 3.134 308 T HA 0.153 4.503 4.350 0.000 0.000 0.260 308 T C 0.683 175.362 174.700 -0.036 0.000 1.027 308 T CA -0.162 61.861 62.100 -0.127 0.000 0.913 308 T CB -0.646 68.203 68.868 -0.032 0.000 1.046 308 T HN 0.176 nan 8.240 nan 0.000 0.553 309 C N 2.502 121.771 119.300 -0.051 0.000 4.350 309 C HA 0.002 4.462 4.460 0.000 0.000 0.302 309 C C 1.183 176.214 174.990 0.068 0.000 1.390 309 C CA 0.807 59.825 59.018 -0.000 0.000 2.016 309 C CB -3.237 24.461 27.740 -0.069 0.000 1.271 309 C HN 1.773 nan 8.230 nan 0.000 0.760 310 S N -2.490 113.245 115.700 0.057 0.000 4.113 310 S HA -0.100 4.370 4.470 0.000 0.000 0.639 310 S C -0.586 174.070 174.600 0.094 0.000 1.357 310 S CA 0.392 58.624 58.200 0.054 0.000 1.548 310 S CB -0.601 62.632 63.200 0.054 0.000 0.328 310 S HN 2.076 nan 8.310 nan 0.000 1.756 311 Q N 2.161 122.004 119.800 0.071 0.000 2.364 311 Q HA 0.430 4.770 4.340 0.000 0.000 0.267 311 Q C 0.615 176.721 176.000 0.177 0.000 0.999 311 Q CA 0.295 56.127 55.803 0.050 0.000 0.886 311 Q CB 0.140 28.886 28.738 0.012 0.000 1.243 311 Q HN 1.458 nan 8.270 nan 0.000 0.415 312 F N 0.616 120.626 119.950 0.100 0.000 2.767 312 F HA 0.427 4.955 4.527 0.000 0.000 0.323 312 F C -0.451 175.431 175.800 0.137 0.000 1.091 312 F CA -0.741 57.326 58.000 0.112 0.000 1.192 312 F CB 0.477 39.545 39.000 0.114 0.000 1.056 312 F HN 0.229 nan 8.300 nan 0.000 0.571 313 L N 1.503 122.566 121.223 -0.267 0.000 2.346 313 L HA 0.739 5.079 4.340 0.000 0.000 0.276 313 L C -0.619 176.246 176.870 -0.010 0.000 1.006 313 L CA -0.570 54.200 54.840 -0.118 0.000 0.817 313 L CB 2.197 44.128 42.059 -0.214 0.000 1.272 313 L HN -0.052 nan 8.230 nan 0.000 0.421 314 T N 1.634 116.223 114.554 0.058 0.000 2.971 314 T HA 0.654 5.004 4.350 0.000 0.000 0.304 314 T C -0.839 173.940 174.700 0.132 0.000 1.038 314 T CA -0.557 61.613 62.100 0.117 0.000 1.007 314 T CB 1.953 70.917 68.868 0.159 0.000 1.055 314 T HN 0.632 nan 8.240 nan 0.000 0.451 315 A N 2.644 125.542 122.820 0.129 0.000 2.318 315 A HA 0.786 5.106 4.320 0.000 0.000 0.324 315 A C 0.601 178.179 177.584 -0.010 0.000 1.170 315 A CA -0.755 51.328 52.037 0.075 0.000 0.810 315 A CB 0.490 19.507 19.000 0.029 0.000 1.198 315 A HN 0.855 nan 8.150 nan 0.000 0.484 316 T N 0.527 115.013 114.554 -0.114 0.000 2.849 316 T HA 0.445 4.795 4.350 0.000 0.000 0.284 316 T C -1.867 172.568 174.700 -0.441 0.000 1.004 316 T CA -1.487 60.309 62.100 -0.505 0.000 1.021 316 T CB 0.764 69.492 68.868 -0.234 0.000 1.013 316 T HN 0.254 nan 8.240 nan 0.000 0.527 317 P HA -0.128 nan 4.420 nan 0.000 0.217 317 P C 1.563 178.786 177.300 -0.127 0.000 1.151 317 P CA 0.967 63.900 63.100 -0.278 0.000 0.849 317 P CB 0.092 31.646 31.700 -0.244 0.000 0.787 318 E N -1.304 118.823 120.200 -0.121 0.000 2.152 318 E HA -0.050 4.300 4.350 0.000 0.000 0.192 318 E C 1.965 178.564 176.600 -0.001 0.000 0.983 318 E CA 0.952 57.321 56.400 -0.052 0.000 0.818 318 E CB -0.521 29.142 29.700 -0.062 0.000 0.758 318 E HN 0.307 nan 8.360 nan 0.000 0.467 319 M N -0.142 119.453 119.600 -0.007 0.000 2.132 319 M HA -0.112 4.368 4.480 0.000 0.000 0.263 319 M C 2.274 178.518 176.300 -0.093 0.000 1.065 319 M CA 1.094 56.412 55.300 0.030 0.000 1.122 319 M CB -0.187 32.491 32.600 0.130 0.000 1.365 319 M HN 0.057 nan 8.290 nan 0.000 0.411 320 L N -1.275 119.897 121.223 -0.085 0.000 2.217 320 L HA -0.210 4.130 4.340 0.000 0.000 0.211 320 L C 2.703 179.520 176.870 -0.089 0.000 1.107 320 L CA 0.785 55.564 54.840 -0.103 0.000 0.783 320 L CB -0.918 41.082 42.059 -0.098 0.000 0.919 320 L HN 0.411 nan 8.230 nan 0.000 0.442 321 H N 0.518 119.514 119.070 -0.124 0.000 2.299 321 H HA -0.127 4.429 4.556 0.000 0.000 0.302 321 H C 2.121 177.380 175.328 -0.116 0.000 1.078 321 H CA 1.806 57.790 56.048 -0.106 0.000 1.323 321 H CB 0.331 30.041 29.762 -0.087 0.000 1.381 321 H HN 0.304 nan 8.280 nan 0.000 0.498 322 A N 1.568 124.422 122.820 0.056 0.000 1.873 322 A HA -0.051 4.270 4.320 0.000 0.000 0.215 322 A C 1.019 178.488 177.584 -0.193 0.000 1.186 322 A CA 0.936 52.951 52.037 -0.037 0.000 0.616 322 A CB 0.081 19.056 19.000 -0.041 0.000 0.823 322 A HN 0.220 nan 8.150 nan 0.000 0.442 323 R N -0.948 119.359 120.500 -0.322 0.000 2.422 323 R HA 0.321 4.661 4.340 0.000 0.000 0.307 323 R C -2.728 173.426 176.300 -0.243 0.000 1.004 323 R CA -1.846 54.051 56.100 -0.338 0.000 0.882 323 R CB 1.086 31.045 30.300 -0.568 0.000 1.164 323 R HN 0.155 nan 8.270 nan 0.000 0.489 324 P HA -0.014 nan 4.420 nan 0.000 0.229 324 P C 0.335 177.561 177.300 -0.123 0.000 1.160 324 P CA 0.702 63.716 63.100 -0.144 0.000 0.777 324 P CB 0.459 32.080 31.700 -0.131 0.000 0.814 325 D N -1.625 118.698 120.400 -0.128 0.000 2.339 325 D HA 0.021 4.661 4.640 0.000 0.000 0.217 325 D C 0.552 176.769 176.300 -0.139 0.000 1.050 325 D CA 0.592 54.526 54.000 -0.110 0.000 0.856 325 D CB 0.073 40.830 40.800 -0.072 0.000 0.922 325 D HN 0.088 nan 8.370 nan 0.000 0.518 326 T N -0.211 114.249 114.554 -0.157 0.000 2.904 326 T HA 0.164 4.514 4.350 0.000 0.000 0.290 326 T C 0.974 175.617 174.700 -0.094 0.000 1.018 326 T CA -0.235 61.783 62.100 -0.137 0.000 1.075 326 T CB 1.935 70.707 68.868 -0.159 0.000 0.986 326 T HN -0.244 nan 8.240 nan 0.000 0.523 327 V N 2.963 122.826 119.914 -0.084 0.000 3.661 327 V HA 0.514 4.635 4.120 0.000 0.000 0.271 327 V C 0.996 177.086 176.094 -0.006 0.000 1.315 327 V CA 1.354 63.620 62.300 -0.057 0.000 1.072 327 V CB -0.412 31.341 31.823 -0.118 0.000 0.830 327 V HN 1.278 nan 8.190 nan 0.000 0.443 328 G N 0.006 108.823 108.800 0.027 0.000 2.318 328 G HA2 -0.030 3.930 3.960 0.000 0.000 0.367 328 G HA3 -0.030 3.930 3.960 0.000 0.000 0.367 328 G C -0.811 174.141 174.900 0.087 0.000 1.260 328 G CA -0.305 44.849 45.100 0.090 0.000 1.055 328 G HN 0.124 nan 8.290 nan 0.000 0.484 329 M N 2.172 121.815 119.600 0.072 0.000 2.578 329 M HA 0.498 4.978 4.480 0.000 0.000 0.321 329 M C -2.086 174.253 176.300 0.065 0.000 1.182 329 M CA -1.856 53.468 55.300 0.040 0.000 0.965 329 M CB 2.437 35.034 32.600 -0.005 0.000 1.694 329 M HN 0.459 nan 8.290 nan 0.000 0.461 330 P HA 0.104 nan 4.420 nan 0.000 0.272 330 P C -0.873 176.498 177.300 0.118 0.000 1.223 330 P CA -0.326 62.863 63.100 0.149 0.000 0.784 330 P CB 0.444 32.253 31.700 0.183 0.000 0.923 331 S N 0.744 116.528 115.700 0.141 0.000 2.596 331 S HA 0.271 4.741 4.470 0.000 0.000 0.260 331 S C 1.604 176.251 174.600 0.078 0.000 1.336 331 S CA -0.025 58.235 58.200 0.101 0.000 0.993 331 S CB 0.034 63.299 63.200 0.108 0.000 0.923 331 S HN 0.557 nan 8.310 nan 0.000 0.567 332 A N 1.299 124.149 122.820 0.050 0.000 2.019 332 A HA -0.091 4.229 4.320 0.000 0.000 0.219 332 A C 1.538 179.142 177.584 0.034 0.000 1.164 332 A CA 1.415 53.473 52.037 0.035 0.000 0.644 332 A CB -0.971 18.040 19.000 0.019 0.000 0.805 332 A HN 0.937 nan 8.150 nan 0.000 0.449 333 N N -0.689 118.031 118.700 0.034 0.000 2.380 333 N HA 0.272 5.012 4.740 0.000 0.000 0.255 333 N C -0.797 174.728 175.510 0.024 0.000 1.158 333 N CA -0.075 52.989 53.050 0.024 0.000 0.878 333 N CB 0.341 38.836 38.487 0.015 0.000 1.138 333 N HN 0.077 nan 8.380 nan 0.000 0.509 334 V N 0.041 119.980 119.914 0.043 0.000 2.808 334 V HA 0.288 4.408 4.120 0.000 0.000 0.308 334 V C -1.374 174.753 176.094 0.056 0.000 1.099 334 V CA -0.860 61.467 62.300 0.044 0.000 0.920 334 V CB 2.578 34.473 31.823 0.121 0.000 1.014 334 V HN 0.157 nan 8.190 nan 0.000 0.425 335 D N 3.421 123.831 120.400 0.017 0.000 2.381 335 D HA 0.505 5.145 4.640 0.000 0.000 0.235 335 D C -0.845 175.572 176.300 0.195 0.000 1.068 335 D CA -0.056 53.998 54.000 0.090 0.000 0.832 335 D CB 2.493 43.328 40.800 0.060 0.000 1.101 335 D HN 0.199 nan 8.370 nan 0.000 0.515 336 V N 3.292 123.350 119.914 0.240 0.000 2.555 336 V HA 0.464 4.584 4.120 0.000 0.000 0.302 336 V C 0.099 176.327 176.094 0.224 0.000 1.038 336 V CA -0.518 61.942 62.300 0.267 0.000 0.887 336 V CB 2.114 34.099 31.823 0.271 0.000 0.991 336 V HN 0.541 nan 8.190 nan 0.000 0.434 337 K N 3.448 123.955 120.400 0.179 0.000 2.522 337 K HA 0.723 5.043 4.320 0.000 0.000 0.275 337 K C -1.922 174.696 176.600 0.030 0.000 1.006 337 K CA -0.981 55.340 56.287 0.057 0.000 0.890 337 K CB 2.235 34.698 32.500 -0.063 0.000 1.475 337 K HN 0.319 nan 8.250 nan 0.000 0.441 338 I N 1.708 122.283 120.570 0.008 0.000 2.339 338 I HA 0.270 4.440 4.170 0.000 0.000 0.290 338 I C -0.416 175.690 176.117 -0.019 0.000 0.994 338 I CA -0.395 60.911 61.300 0.009 0.000 1.191 338 I CB 1.564 39.583 38.000 0.031 0.000 1.343 338 I HN 0.483 nan 8.210 nan 0.000 0.458 339 K N 6.048 126.432 120.400 -0.026 0.000 2.201 339 K HA 0.249 4.569 4.320 0.000 0.000 0.278 339 K C -0.495 176.096 176.600 -0.014 0.000 1.027 339 K CA -0.262 56.001 56.287 -0.040 0.000 0.909 339 K CB 0.555 33.023 32.500 -0.053 0.000 1.062 339 K HN 0.583 nan 8.250 nan 0.000 0.465 340 N N 2.386 121.078 118.700 -0.014 0.000 2.614 340 N HA -0.141 4.599 4.740 0.000 0.000 0.276 340 N C -2.698 172.822 175.510 0.015 0.000 1.119 340 N CA 0.325 53.374 53.050 -0.002 0.000 0.742 340 N CB -1.047 37.438 38.487 -0.003 0.000 0.900 340 N HN 0.438 nan 8.380 nan 0.000 0.549 341 P HA 0.160 nan 4.420 nan 0.000 0.280 341 P C 0.447 177.766 177.300 0.032 0.000 1.244 341 P CA -0.471 62.655 63.100 0.043 0.000 0.784 341 P CB 0.647 32.373 31.700 0.044 0.000 0.913 342 N N 2.687 121.409 118.700 0.038 0.000 2.386 342 N HA 0.070 4.810 4.740 0.000 0.000 0.291 342 N C 0.982 176.484 175.510 -0.013 0.000 1.309 342 N CA 0.088 53.137 53.050 -0.002 0.000 0.948 342 N CB -0.184 38.283 38.487 -0.033 0.000 1.083 342 N HN -0.021 nan 8.380 nan 0.000 0.527 343 K N -0.305 120.067 120.400 -0.046 0.000 2.063 343 K HA -0.103 4.217 4.320 0.000 0.000 0.208 343 K C 1.576 178.152 176.600 -0.039 0.000 1.048 343 K CA 1.753 58.012 56.287 -0.046 0.000 0.928 343 K CB -0.231 32.230 32.500 -0.065 0.000 0.713 343 K HN 0.636 nan 8.250 nan 0.000 0.442 344 E N -1.765 118.388 120.200 -0.079 0.000 2.478 344 E HA 0.139 4.490 4.350 0.000 0.000 0.194 344 E C 0.680 177.355 176.600 0.124 0.000 1.045 344 E CA 0.505 56.884 56.400 -0.035 0.000 0.868 344 E CB 0.569 30.138 29.700 -0.218 0.000 0.885 344 E HN 0.412 nan 8.360 nan 0.000 0.505 345 G N 1.285 110.161 108.800 0.126 0.000 2.144 345 G HA2 -0.218 3.742 3.960 0.000 0.000 0.218 345 G HA3 -0.218 3.742 3.960 0.000 0.000 0.218 345 G C -0.459 174.588 174.900 0.245 0.000 0.988 345 G CA -0.420 44.778 45.100 0.164 0.000 0.659 345 G HN 0.261 nan 8.290 nan 0.000 0.522 346 H N 0.678 119.767 119.070 0.031 0.000 2.767 346 H HA 0.569 5.125 4.556 0.000 0.000 0.316 346 H C 0.882 176.233 175.328 0.038 0.000 1.059 346 H CA 0.877 56.958 56.048 0.054 0.000 1.461 346 H CB 1.255 31.015 29.762 -0.004 0.000 1.475 346 H HN 0.725 nan 8.280 nan 0.000 0.531 347 G N 1.551 110.430 108.800 0.132 0.000 2.663 347 G HA2 0.338 4.298 3.960 0.000 0.000 0.299 347 G HA3 0.338 4.298 3.960 0.000 0.000 0.299 347 G C -1.191 173.736 174.900 0.045 0.000 1.372 347 G CA -1.092 44.053 45.100 0.074 0.000 0.781 347 G HN 0.599 nan 8.290 nan 0.000 0.491 348 E N 0.090 120.303 120.200 0.021 0.000 2.259 348 E HA 0.344 4.694 4.350 0.000 0.000 0.281 348 E C -0.680 175.923 176.600 0.006 0.000 1.037 348 E CA -0.690 55.714 56.400 0.005 0.000 0.854 348 E CB 2.161 31.852 29.700 -0.016 0.000 1.051 348 E HN 0.294 nan 8.360 nan 0.000 0.409 349 L N 4.344 125.578 121.223 0.019 0.000 2.418 349 L HA 0.146 4.486 4.340 0.000 0.000 0.274 349 L C -0.678 176.237 176.870 0.075 0.000 1.135 349 L CA 0.365 55.242 54.840 0.062 0.000 0.870 349 L CB 0.389 42.498 42.059 0.083 0.000 1.154 349 L HN 0.590 nan 8.230 nan 0.000 0.462 350 M N 7.054 126.715 119.600 0.102 0.000 2.364 350 M HA 0.455 4.935 4.480 0.000 0.000 0.334 350 M C -0.719 175.740 176.300 0.265 0.000 1.107 350 M CA -0.354 55.037 55.300 0.152 0.000 0.988 350 M CB 1.780 34.441 32.600 0.102 0.000 1.673 350 M HN 0.548 nan 8.290 nan 0.000 0.441 351 I N 2.775 123.478 120.570 0.223 0.000 2.569 351 I HA 0.468 4.638 4.170 0.000 0.000 0.290 351 I C -1.445 174.638 176.117 -0.056 0.000 1.088 351 I CA -0.399 60.918 61.300 0.029 0.000 1.047 351 I CB 2.231 39.953 38.000 -0.462 0.000 1.237 351 I HN 0.742 nan 8.210 nan 0.000 0.421 352 K N 5.789 126.021 120.400 -0.279 0.000 2.471 352 K HA 0.782 5.102 4.320 0.000 0.000 0.252 352 K C -0.957 175.489 176.600 -0.257 0.000 0.938 352 K CA -0.422 55.609 56.287 -0.426 0.000 0.796 352 K CB 2.167 34.014 32.500 -1.089 0.000 1.161 352 K HN 0.879 nan 8.250 nan 0.000 0.425 353 G N 1.048 109.743 108.800 -0.175 0.000 2.356 353 G HA2 0.396 4.357 3.960 0.000 0.000 0.294 353 G HA3 0.396 4.357 3.960 0.000 0.000 0.294 353 G C -0.368 174.479 174.900 -0.088 0.000 1.423 353 G CA -0.217 44.817 45.100 -0.110 0.000 0.806 353 G HN 0.518 nan 8.290 nan 0.000 0.527 354 A N -0.116 122.673 122.820 -0.052 0.000 2.209 354 A HA 0.068 4.388 4.320 0.000 0.000 0.212 354 A C 1.866 179.428 177.584 -0.037 0.000 1.158 354 A CA 1.744 53.758 52.037 -0.037 0.000 0.742 354 A CB -0.488 18.517 19.000 0.008 0.000 0.790 354 A HN 0.825 nan 8.150 nan 0.000 0.472 355 N N -0.177 118.496 118.700 -0.045 0.000 2.424 355 N HA 0.004 4.744 4.740 0.000 0.000 0.178 355 N C 0.143 175.583 175.510 -0.116 0.000 1.060 355 N CA 0.350 53.368 53.050 -0.054 0.000 0.901 355 N CB -0.402 38.078 38.487 -0.011 0.000 0.979 355 N HN 0.154 nan 8.380 nan 0.000 0.451 356 V N 3.557 123.391 119.914 -0.134 0.000 2.572 356 V HA 0.064 4.184 4.120 0.000 0.000 0.291 356 V C 1.199 177.185 176.094 -0.179 0.000 1.039 356 V CA -0.592 61.596 62.300 -0.187 0.000 1.055 356 V CB 0.414 32.166 31.823 -0.118 0.000 0.969 356 V HN 0.351 nan 8.190 nan 0.000 0.482 357 M N 3.998 123.447 119.600 -0.252 0.000 2.243 357 M HA 0.143 4.623 4.480 0.000 0.000 0.309 357 M C 0.848 177.080 176.300 -0.115 0.000 1.050 357 M CA 0.567 55.736 55.300 -0.218 0.000 1.139 357 M CB 0.062 32.475 32.600 -0.311 0.000 1.457 357 M HN 0.439 nan 8.290 nan 0.000 0.440 358 N N 0.660 119.286 118.700 -0.123 0.000 2.457 358 N HA 0.216 4.956 4.740 0.000 0.000 0.180 358 N C 0.484 175.960 175.510 -0.058 0.000 1.050 358 N CA 0.968 53.940 53.050 -0.131 0.000 0.906 358 N CB 0.182 38.600 38.487 -0.115 0.000 0.968 358 N HN 0.914 nan 8.380 nan 0.000 0.445 359 G N -0.631 108.188 108.800 0.032 0.000 2.312 359 G HA2 0.036 3.996 3.960 0.000 0.000 0.347 359 G HA3 0.036 3.996 3.960 0.000 0.000 0.347 359 G C -1.648 173.227 174.900 -0.041 0.000 1.564 359 G CA -1.042 44.136 45.100 0.130 0.000 0.981 359 G HN 0.000 nan 8.290 nan 0.000 0.678 360 Y N 0.454 120.812 120.300 0.096 0.000 2.497 360 Y HA 0.301 4.851 4.550 0.000 0.000 0.334 360 Y C 1.797 177.726 175.900 0.048 0.000 1.199 360 Y CA -0.342 57.782 58.100 0.040 0.000 1.425 360 Y CB 0.737 39.218 38.460 0.035 0.000 1.291 360 Y HN 0.400 nan 8.280 nan 0.000 0.562 361 L N 2.250 123.593 121.223 0.199 0.000 2.109 361 L HA -0.067 4.273 4.340 0.000 0.000 0.207 361 L C -0.231 176.787 176.870 0.246 0.000 1.086 361 L CA 1.158 56.096 54.840 0.163 0.000 0.760 361 L CB -0.695 41.426 42.059 0.103 0.000 0.910 361 L HN 0.706 nan 8.230 nan 0.000 0.437 362 Y N -1.188 119.179 120.300 0.111 0.000 2.480 362 Y HA 0.446 4.996 4.550 0.000 0.000 0.329 362 Y C -2.687 173.249 175.900 0.060 0.000 1.127 362 Y CA -2.255 55.902 58.100 0.096 0.000 1.037 362 Y CB 1.563 40.093 38.460 0.116 0.000 1.320 362 Y HN -0.182 nan 8.280 nan 0.000 0.446 363 P HA 0.355 nan 4.420 nan 0.000 0.297 363 P C -0.154 176.996 177.300 -0.249 0.000 1.303 363 P CA 0.015 62.620 63.100 -0.826 0.000 0.753 363 P CB 1.015 32.289 31.700 -0.710 0.000 1.281 364 T N -2.191 112.258 114.554 -0.176 0.000 2.990 364 T HA 0.020 4.370 4.350 0.000 0.000 0.249 364 T C 0.724 175.403 174.700 -0.035 0.000 1.039 364 T CA 0.509 62.587 62.100 -0.036 0.000 1.036 364 T CB -0.668 68.205 68.868 0.008 0.000 0.994 364 T HN 0.325 nan 8.240 nan 0.000 0.489 365 D N 1.275 121.626 120.400 -0.081 0.000 2.265 365 D HA -0.020 4.620 4.640 0.000 0.000 0.208 365 D C 0.350 176.629 176.300 -0.034 0.000 0.977 365 D CA 0.534 54.501 54.000 -0.055 0.000 0.871 365 D CB -0.371 40.382 40.800 -0.079 0.000 0.925 365 D HN 0.206 nan 8.370 nan 0.000 0.485 366 L N -0.121 121.079 121.223 -0.038 0.000 2.473 366 L HA 0.274 4.615 4.340 0.000 0.000 0.268 366 L C 0.671 177.556 176.870 0.025 0.000 1.215 366 L CA 0.741 55.571 54.840 -0.017 0.000 0.823 366 L CB 0.790 42.837 42.059 -0.020 0.000 1.099 366 L HN -0.132 nan 8.230 nan 0.000 0.483 367 T N 0.101 114.669 114.554 0.023 0.000 2.956 367 T HA 0.543 4.893 4.350 0.000 0.000 0.312 367 T C 0.071 174.786 174.700 0.024 0.000 1.151 367 T CA -0.096 62.024 62.100 0.034 0.000 1.024 367 T CB 1.065 69.945 68.868 0.022 0.000 1.140 367 T HN 1.021 nan 8.240 nan 0.000 0.473 368 G N 2.438 111.259 108.800 0.034 0.000 2.182 368 G HA2 -0.279 3.681 3.960 0.000 0.000 0.248 368 G HA3 -0.279 3.681 3.960 0.000 0.000 0.248 368 G C 0.810 175.687 174.900 -0.039 0.000 1.042 368 G CA 1.328 46.433 45.100 0.008 0.000 0.775 368 G HN 1.437 nan 8.290 nan 0.000 0.501 369 T N -3.075 111.463 114.554 -0.026 0.000 2.976 369 T HA 0.484 4.834 4.350 0.000 0.000 0.257 369 T C 0.737 175.197 174.700 -0.401 0.000 1.051 369 T CA 0.841 62.831 62.100 -0.184 0.000 1.141 369 T CB 0.169 69.014 68.868 -0.037 0.000 0.881 369 T HN 0.406 nan 8.240 nan 0.000 0.461 370 F N 1.143 121.153 119.950 0.099 0.000 2.532 370 F HA 0.674 5.201 4.527 0.000 0.000 0.321 370 F C -0.128 175.717 175.800 0.074 0.000 1.089 370 F CA -1.236 56.826 58.000 0.102 0.000 0.926 370 F CB 2.155 41.217 39.000 0.103 0.000 1.168 370 F HN 0.027 nan 8.300 nan 0.000 0.459 371 E N 2.300 122.677 120.200 0.296 0.000 2.316 371 E HA 0.250 4.601 4.350 0.000 0.000 0.254 371 E C -0.812 175.927 176.600 0.232 0.000 0.902 371 E CA -0.581 55.932 56.400 0.189 0.000 0.801 371 E CB 0.957 30.715 29.700 0.097 0.000 1.270 371 E HN 0.602 nan 8.360 nan 0.000 0.414 372 N N 2.265 121.076 118.700 0.186 0.000 2.725 372 N HA -0.255 4.485 4.740 0.000 0.000 0.249 372 N C 0.671 176.325 175.510 0.240 0.000 1.103 372 N CA 1.368 54.528 53.050 0.184 0.000 0.707 372 N CB -0.864 37.721 38.487 0.164 0.000 1.043 372 N HN 1.011 nan 8.380 nan 0.000 0.553 373 G N -1.904 107.007 108.800 0.186 0.000 2.213 373 G HA2 -0.342 3.618 3.960 0.000 0.000 0.236 373 G HA3 -0.342 3.618 3.960 0.000 0.000 0.236 373 G C -0.155 174.829 174.900 0.141 0.000 0.991 373 G CA 0.293 45.430 45.100 0.062 0.000 0.629 373 G HN 0.399 nan 8.290 nan 0.000 0.517 374 Y N 0.085 120.508 120.300 0.204 0.000 2.304 374 Y HA 0.610 5.160 4.550 0.000 0.000 0.328 374 Y C 0.441 176.536 175.900 0.325 0.000 1.123 374 Y CA -1.031 57.196 58.100 0.210 0.000 1.218 374 Y CB 0.811 39.331 38.460 0.101 0.000 1.207 374 Y HN 0.186 nan 8.280 nan 0.000 0.495 375 F N 4.369 124.444 119.950 0.207 0.000 2.404 375 F HA 0.320 4.847 4.527 0.000 0.000 0.345 375 F C -0.006 175.765 175.800 -0.048 0.000 1.110 375 F CA -0.927 57.025 58.000 -0.079 0.000 1.130 375 F CB 0.554 39.456 39.000 -0.163 0.000 1.129 375 F HN 0.422 nan 8.300 nan 0.000 0.500 376 N N 3.844 121.989 118.700 -0.925 0.000 2.415 376 N HA 0.030 4.770 4.740 0.000 0.000 0.246 376 N C 1.021 175.872 175.510 -1.098 0.000 1.078 376 N CA 0.510 53.130 53.050 -0.717 0.000 0.942 376 N CB 1.168 39.400 38.487 -0.424 0.000 1.140 376 N HN 0.867 nan 8.380 nan 0.000 0.501 377 T N 0.537 114.767 114.554 -0.541 0.000 2.915 377 T HA 0.017 4.367 4.350 0.000 0.000 0.269 377 T C 1.290 175.969 174.700 -0.035 0.000 1.071 377 T CA 0.976 62.995 62.100 -0.135 0.000 1.132 377 T CB -0.344 68.684 68.868 0.267 0.000 0.878 377 T HN 0.617 nan 8.240 nan 0.000 0.479 378 G N 1.119 109.869 108.800 -0.083 0.000 2.136 378 G HA2 -0.166 3.794 3.960 0.000 0.000 0.242 378 G HA3 -0.166 3.794 3.960 0.000 0.000 0.242 378 G C -0.464 174.460 174.900 0.041 0.000 0.989 378 G CA 0.116 45.203 45.100 -0.021 0.000 0.682 378 G HN 0.630 nan 8.290 nan 0.000 0.522 379 D N -0.360 120.073 120.400 0.055 0.000 2.350 379 D HA 0.571 5.211 4.640 0.000 0.000 0.245 379 D C 0.107 176.412 176.300 0.008 0.000 1.036 379 D CA -0.487 53.541 54.000 0.047 0.000 0.848 379 D CB 1.730 42.565 40.800 0.057 0.000 1.307 379 D HN 0.068 nan 8.370 nan 0.000 0.469 380 I N 1.689 122.268 120.570 0.015 0.000 2.342 380 I HA 0.427 4.597 4.170 0.000 0.000 0.291 380 I C 0.434 176.544 176.117 -0.012 0.000 1.010 380 I CA 0.133 61.457 61.300 0.041 0.000 1.308 380 I CB 1.255 39.322 38.000 0.110 0.000 1.400 380 I HN 0.354 nan 8.210 nan 0.000 0.488 381 A N 5.541 128.343 122.820 -0.030 0.000 2.564 381 A HA 0.919 5.239 4.320 0.000 0.000 0.288 381 A C -1.139 176.407 177.584 -0.063 0.000 1.164 381 A CA -0.607 51.348 52.037 -0.136 0.000 0.712 381 A CB 1.605 20.500 19.000 -0.174 0.000 1.303 381 A HN 0.695 nan 8.150 nan 0.000 0.418 382 E N -0.363 119.789 120.200 -0.081 0.000 2.383 382 E HA 0.721 5.071 4.350 0.000 0.000 0.275 382 E C -1.688 174.922 176.600 0.016 0.000 0.918 382 E CA -0.721 55.690 56.400 0.018 0.000 0.764 382 E CB 1.760 31.519 29.700 0.099 0.000 1.252 382 E HN 0.456 nan 8.360 nan 0.000 0.449 383 I N 2.799 123.402 120.570 0.055 0.000 2.382 383 I HA 0.236 4.406 4.170 0.000 0.000 0.285 383 I C -0.639 175.532 176.117 0.089 0.000 1.007 383 I CA -1.078 60.258 61.300 0.059 0.000 1.142 383 I CB 1.085 39.116 38.000 0.052 0.000 1.289 383 I HN 0.638 nan 8.210 nan 0.000 0.453 384 D N 4.618 125.078 120.400 0.102 0.000 2.371 384 D HA -0.061 4.579 4.640 0.000 0.000 0.242 384 D C 1.319 177.666 176.300 0.078 0.000 1.218 384 D CA -0.036 54.036 54.000 0.120 0.000 0.945 384 D CB 0.467 41.333 40.800 0.111 0.000 1.137 384 D HN 0.604 nan 8.370 nan 0.000 0.464 385 H N -1.023 118.080 119.070 0.055 0.000 2.561 385 H HA 0.017 4.573 4.556 0.000 0.000 0.278 385 H C 0.474 175.804 175.328 0.003 0.000 1.014 385 H CA 0.775 56.839 56.048 0.027 0.000 1.211 385 H CB -0.070 29.709 29.762 0.028 0.000 1.365 385 H HN 0.443 nan 8.280 nan 0.000 0.594 386 E N 0.457 120.472 120.200 -0.309 0.000 2.299 386 E HA 0.129 4.479 4.350 0.000 0.000 0.193 386 E C 1.673 178.071 176.600 -0.336 0.000 0.998 386 E CA 1.097 57.327 56.400 -0.282 0.000 0.851 386 E CB 0.203 29.768 29.700 -0.224 0.000 0.795 386 E HN 0.751 nan 8.360 nan 0.000 0.492 387 G N -1.005 107.648 108.800 -0.245 0.000 2.205 387 G HA2 -0.228 3.733 3.960 0.000 0.000 0.180 387 G HA3 -0.228 3.733 3.960 0.000 0.000 0.180 387 G C -0.431 174.354 174.900 -0.192 0.000 1.004 387 G CA -0.409 44.564 45.100 -0.212 0.000 0.670 387 G HN 0.132 nan 8.290 nan 0.000 0.496 388 Y N 0.659 120.937 120.300 -0.037 0.000 2.425 388 Y HA 0.479 5.029 4.550 0.000 0.000 0.331 388 Y C 0.898 176.768 175.900 -0.049 0.000 1.157 388 Y CA -0.417 57.656 58.100 -0.044 0.000 1.372 388 Y CB 1.327 39.754 38.460 -0.056 0.000 1.253 388 Y HN 0.038 nan 8.280 nan 0.000 0.536 389 V N 5.571 125.545 119.914 0.100 0.000 2.398 389 V HA 0.359 4.479 4.120 0.000 0.000 0.286 389 V C -0.254 175.770 176.094 -0.117 0.000 1.026 389 V CA -0.736 61.551 62.300 -0.021 0.000 0.868 389 V CB 1.038 32.833 31.823 -0.046 0.000 0.982 389 V HN 0.639 nan 8.190 nan 0.000 0.443 390 M N 5.832 125.304 119.600 -0.215 0.000 2.383 390 M HA 0.612 5.092 4.480 0.000 0.000 0.325 390 M C -0.758 175.093 176.300 -0.748 0.000 1.092 390 M CA 0.002 55.051 55.300 -0.418 0.000 0.961 390 M CB 1.877 34.267 32.600 -0.350 0.000 1.672 390 M HN 0.411 nan 8.290 nan 0.000 0.438 391 I N 3.047 123.137 120.570 -0.801 0.000 2.433 391 I HA 0.469 4.639 4.170 0.000 0.000 0.292 391 I C -1.129 174.522 176.117 -0.777 0.000 1.001 391 I CA -0.637 60.208 61.300 -0.759 0.000 1.119 391 I CB 1.320 38.947 38.000 -0.622 0.000 1.289 391 I HN 0.619 nan 8.210 nan 0.000 0.438 392 Y N 2.940 123.148 120.300 -0.154 0.000 2.730 392 Y HA 0.480 5.030 4.550 0.000 0.000 0.325 392 Y C -0.180 175.697 175.900 -0.038 0.000 1.132 392 Y CA -0.997 57.054 58.100 -0.082 0.000 1.206 392 Y CB 0.812 39.230 38.460 -0.070 0.000 1.390 392 Y HN 0.399 nan 8.280 nan 0.000 0.555 393 D N 0.000 120.512 120.400 0.187 0.000 6.856 393 D HA 0.000 4.640 4.640 0.000 0.000 0.175 393 D CA 0.000 54.065 54.000 0.109 0.000 0.868 393 D CB 0.000 40.850 40.800 0.084 0.000 0.688 393 D HN 0.000 nan 8.370 nan 0.000 0.683