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 1a05_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKKIAIFAGD GIGPEIVAAA RQVLDAVDQA AHLGLRCTEG LVGGAALDAS DATA SEQUENCE DDPLPAASLQ LAMAADAVIL GAVGGPRWDA YPPAKRPEQG LLRLRKGLDL DATA SEQUENCE YANLRPAQIF PQLLDASPLR PELVRDVDIL VVRELTGDIY FGQPRGLEVI DATA SEQUENCE DGKRRGFNTM VYDEDEIRRI AHVAFRAAQG RRKQLCSVDK ANVLETTRLW DATA SEQUENCE REVVTEVARD YPDVRLSHMY VDNAAMQLIR APAQFDVLLT GNMFGDILSD DATA SEQUENCE EASQLTGSIG MLPSASLGEG RAMYEPIHGS APDIAGQDKA NPLATILSVA DATA SEQUENCE MMLRHSLNAE PWAQRVEAAV QRVLDQGLRT ADIAAPGTPV IGTKAMGAAV DATA SEQUENCE VNALNLK 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.300 176.300 -0.000 0.000 1.140 1 M CA 0.000 55.298 55.300 -0.003 0.000 0.988 1 M CB 0.000 32.598 32.600 -0.004 0.000 1.302 2 K N 3.421 123.818 120.400 -0.004 0.000 2.206 2 K HA 0.580 4.900 4.320 -0.001 0.000 0.264 2 K C -0.873 175.725 176.600 -0.004 0.000 0.967 2 K CA -0.644 55.643 56.287 0.000 0.000 0.844 2 K CB 1.628 34.128 32.500 -0.000 0.000 1.099 2 K HN 0.505 nan 8.250 nan 0.000 0.441 3 K N 2.217 122.619 120.400 0.004 0.000 2.211 3 K HA 0.474 4.794 4.320 -0.001 0.000 0.275 3 K C -0.131 176.472 176.600 0.005 0.000 1.024 3 K CA -0.106 56.181 56.287 -0.001 0.000 0.887 3 K CB 0.824 33.327 32.500 0.004 0.000 1.084 3 K HN 0.419 nan 8.250 nan 0.000 0.463 4 I N 2.404 122.967 120.570 -0.012 0.000 2.389 4 I HA 0.400 4.570 4.170 -0.001 0.000 0.288 4 I C -0.415 175.673 176.117 -0.049 0.000 0.999 4 I CA -1.001 60.293 61.300 -0.010 0.000 1.129 4 I CB 1.974 39.962 38.000 -0.021 0.000 1.288 4 I HN 0.581 nan 8.210 nan 0.000 0.444 5 A N 7.964 130.758 122.820 -0.045 0.000 2.301 5 A HA 0.782 5.102 4.320 -0.001 0.000 0.298 5 A C -0.454 176.958 177.584 -0.287 0.000 1.185 5 A CA -0.352 51.574 52.037 -0.185 0.000 0.830 5 A CB 0.389 19.347 19.000 -0.070 0.000 1.112 5 A HN 0.690 nan 8.150 nan 0.000 0.508 6 I N 1.872 122.146 120.570 -0.494 0.000 2.406 6 I HA 0.380 4.549 4.170 -0.001 0.000 0.290 6 I C -1.336 174.404 176.117 -0.629 0.000 0.999 6 I CA -0.184 60.890 61.300 -0.378 0.000 1.124 6 I CB 1.551 39.437 38.000 -0.191 0.000 1.289 6 I HN 0.579 nan 8.210 nan 0.000 0.441 7 F N 4.826 124.778 119.950 0.003 0.000 2.686 7 F HA 0.396 4.923 4.527 -0.000 0.000 0.365 7 F C 1.134 176.929 175.800 -0.007 0.000 1.196 7 F CA -0.512 57.482 58.000 -0.009 0.000 1.198 7 F CB 1.255 40.245 39.000 -0.017 0.000 1.454 7 F HN 0.560 nan 8.300 nan 0.000 0.539 8 A N 1.655 124.535 122.820 0.101 0.000 1.892 8 A HA 0.264 4.584 4.320 -0.001 0.000 0.218 8 A C 1.921 179.551 177.584 0.077 0.000 1.188 8 A CA 1.891 53.972 52.037 0.074 0.000 0.631 8 A CB -1.082 17.944 19.000 0.044 0.000 0.822 8 A HN 1.239 nan 8.150 nan 0.000 0.447 9 G N -1.212 107.628 108.800 0.068 0.000 2.481 9 G HA2 -0.099 3.860 3.960 -0.001 0.000 0.230 9 G HA3 -0.099 3.860 3.960 -0.001 0.000 0.230 9 G C -0.860 174.047 174.900 0.012 0.000 1.210 9 G CA 0.119 45.231 45.100 0.019 0.000 0.936 9 G HN 0.579 nan 8.290 nan 0.000 0.583 10 D N 1.135 121.540 120.400 0.008 0.000 2.326 10 D HA 0.575 5.214 4.640 -0.001 0.000 0.248 10 D C 1.277 177.654 176.300 0.127 0.000 1.001 10 D CA 1.080 55.128 54.000 0.081 0.000 0.961 10 D CB 0.767 41.600 40.800 0.055 0.000 1.183 10 D HN 1.825 nan 8.370 nan 0.000 0.502 11 G N 1.030 109.934 108.800 0.173 0.000 2.629 11 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.313 11 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.313 11 G C 1.032 175.987 174.900 0.092 0.000 1.217 11 G CA 0.699 45.876 45.100 0.130 0.000 0.994 11 G HN 0.729 nan 8.290 nan 0.000 0.549 12 I N 0.445 121.064 120.570 0.081 0.000 3.564 12 I HA 0.409 4.578 4.170 -0.001 0.000 0.294 12 I C 2.245 178.414 176.117 0.087 0.000 1.289 12 I CA 1.303 62.642 61.300 0.065 0.000 1.325 12 I CB -0.654 37.367 38.000 0.036 0.000 1.039 12 I HN 0.606 nan 8.210 nan 0.000 0.474 13 G N 2.707 111.566 108.800 0.098 0.000 2.514 13 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.217 13 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.217 13 G C -0.445 174.499 174.900 0.074 0.000 1.198 13 G CA 1.120 46.277 45.100 0.095 0.000 0.780 13 G HN 0.376 nan 8.290 nan 0.000 0.565 14 P HA -0.101 nan 4.420 nan 0.000 0.215 14 P C 1.878 179.202 177.300 0.041 0.000 1.157 14 P CA 1.814 64.942 63.100 0.048 0.000 0.874 14 P CB -0.123 31.605 31.700 0.048 0.000 0.790 15 E N 0.298 120.523 120.200 0.042 0.000 2.107 15 E HA -0.129 4.220 4.350 -0.001 0.000 0.191 15 E C 2.008 178.630 176.600 0.036 0.000 0.982 15 E CA 1.131 57.551 56.400 0.033 0.000 0.809 15 E CB -1.110 28.606 29.700 0.027 0.000 0.756 15 E HN 0.310 nan 8.360 nan 0.000 0.459 16 I N -0.740 119.862 120.570 0.054 0.000 2.546 16 I HA -0.097 4.072 4.170 -0.001 0.000 0.255 16 I C 2.129 178.280 176.117 0.057 0.000 1.163 16 I CA 0.501 61.840 61.300 0.066 0.000 1.457 16 I CB -0.154 37.916 38.000 0.117 0.000 1.092 16 I HN -0.099 nan 8.210 nan 0.000 0.434 17 V N 1.910 121.854 119.914 0.051 0.000 2.488 17 V HA -0.100 4.019 4.120 -0.001 0.000 0.246 17 V C 3.110 179.216 176.094 0.019 0.000 1.046 17 V CA 1.732 64.054 62.300 0.036 0.000 1.053 17 V CB -0.690 31.154 31.823 0.035 0.000 0.679 17 V HN 0.561 nan 8.190 nan 0.000 0.458 18 A N 0.313 123.144 122.820 0.017 0.000 1.877 18 A HA -0.159 4.161 4.320 -0.001 0.000 0.216 18 A C 2.442 180.029 177.584 0.006 0.000 1.186 18 A CA 2.214 54.255 52.037 0.007 0.000 0.620 18 A CB -0.871 18.134 19.000 0.009 0.000 0.822 18 A HN 0.554 nan 8.150 nan 0.000 0.443 19 A N -0.238 122.589 122.820 0.012 0.000 1.908 19 A HA 0.127 4.446 4.320 -0.001 0.000 0.218 19 A C 2.486 180.075 177.584 0.008 0.000 1.181 19 A CA 2.255 54.298 52.037 0.010 0.000 0.627 19 A CB -1.001 18.007 19.000 0.014 0.000 0.818 19 A HN 1.127 nan 8.150 nan 0.000 0.445 20 A N -0.958 121.870 122.820 0.014 0.000 2.014 20 A HA -0.065 4.255 4.320 -0.001 0.000 0.218 20 A C 2.198 179.780 177.584 -0.004 0.000 1.163 20 A CA 1.401 53.445 52.037 0.011 0.000 0.652 20 A CB -0.406 18.607 19.000 0.021 0.000 0.808 20 A HN 0.518 nan 8.150 nan 0.000 0.449 21 R N -0.514 119.982 120.500 -0.007 0.000 2.115 21 R HA -0.112 4.228 4.340 -0.001 0.000 0.230 21 R C 2.303 178.588 176.300 -0.025 0.000 1.111 21 R CA 1.366 57.454 56.100 -0.020 0.000 0.976 21 R CB -0.196 30.092 30.300 -0.020 0.000 0.870 21 R HN 0.700 nan 8.270 nan 0.000 0.445 22 Q N -0.448 119.342 119.800 -0.017 0.000 2.030 22 Q HA -0.173 4.167 4.340 -0.001 0.000 0.204 22 Q C 2.114 178.100 176.000 -0.024 0.000 0.986 22 Q CA 1.945 57.736 55.803 -0.019 0.000 0.843 22 Q CB -0.078 28.654 28.738 -0.011 0.000 0.904 22 Q HN 0.190 nan 8.270 nan 0.000 0.420 23 V N 1.412 121.317 119.914 -0.016 0.000 2.332 23 V HA -0.270 3.850 4.120 -0.001 0.000 0.248 23 V C 2.220 178.295 176.094 -0.033 0.000 1.055 23 V CA 1.475 63.767 62.300 -0.013 0.000 1.038 23 V CB -0.612 31.212 31.823 0.002 0.000 0.651 23 V HN 0.418 nan 8.190 nan 0.000 0.450 24 L N -0.028 121.171 121.223 -0.041 0.000 1.994 24 L HA -0.202 4.137 4.340 -0.001 0.000 0.208 24 L C 2.402 179.217 176.870 -0.092 0.000 1.071 24 L CA 2.238 57.039 54.840 -0.065 0.000 0.745 24 L CB -0.665 41.359 42.059 -0.058 0.000 0.892 24 L HN 0.379 nan 8.230 nan 0.000 0.431 25 D N 0.090 120.444 120.400 -0.077 0.000 2.182 25 D HA -0.156 4.484 4.640 -0.001 0.000 0.201 25 D C 2.127 178.360 176.300 -0.111 0.000 0.986 25 D CA 1.340 55.288 54.000 -0.087 0.000 0.847 25 D CB 0.040 40.803 40.800 -0.062 0.000 0.942 25 D HN 0.449 nan 8.370 nan 0.000 0.467 26 A N 0.466 123.228 122.820 -0.097 0.000 1.873 26 A HA -0.111 4.209 4.320 -0.001 0.000 0.215 26 A C 2.515 179.985 177.584 -0.190 0.000 1.186 26 A CA 1.063 53.037 52.037 -0.105 0.000 0.616 26 A CB -0.701 18.269 19.000 -0.051 0.000 0.823 26 A HN 0.144 nan 8.150 nan 0.000 0.442 27 V N 0.647 120.436 119.914 -0.208 0.000 2.427 27 V HA -0.235 3.884 4.120 -0.001 0.000 0.248 27 V C 2.332 178.091 176.094 -0.558 0.000 1.051 27 V CA 2.424 64.481 62.300 -0.406 0.000 1.048 27 V CB -0.773 30.907 31.823 -0.238 0.000 0.666 27 V HN 0.728 nan 8.190 nan 0.000 0.456 28 D N -0.656 119.533 120.400 -0.352 0.000 2.097 28 D HA -0.198 4.441 4.640 -0.001 0.000 0.195 28 D C 2.251 178.333 176.300 -0.363 0.000 0.989 28 D CA 1.334 55.145 54.000 -0.314 0.000 0.827 28 D CB -0.031 40.656 40.800 -0.189 0.000 0.966 28 D HN 0.275 nan 8.370 nan 0.000 0.456 29 Q N -0.010 119.596 119.800 -0.323 0.000 2.050 29 Q HA -0.069 4.271 4.340 -0.001 0.000 0.202 29 Q C 2.262 177.897 176.000 -0.608 0.000 0.980 29 Q CA 1.476 57.079 55.803 -0.334 0.000 0.840 29 Q CB -0.744 27.879 28.738 -0.192 0.000 0.898 29 Q HN 0.404 nan 8.270 nan 0.000 0.424 30 A N 0.883 123.380 122.820 -0.539 0.000 1.858 30 A HA -0.082 4.237 4.320 -0.001 0.000 0.216 30 A C 2.218 179.376 177.584 -0.709 0.000 1.190 30 A CA 2.137 53.859 52.037 -0.525 0.000 0.617 30 A CB -0.668 18.108 19.000 -0.374 0.000 0.827 30 A HN 0.367 nan 8.150 nan 0.000 0.443 31 A N -2.658 119.595 122.820 -0.945 0.000 2.123 31 A HA 0.150 4.470 4.320 -0.001 0.000 0.214 31 A C 0.674 178.051 177.584 -0.346 0.000 1.152 31 A CA 0.753 52.358 52.037 -0.719 0.000 0.728 31 A CB -0.446 17.796 19.000 -1.263 0.000 0.814 31 A HN 0.680 nan 8.150 nan 0.000 0.464 32 H N -1.576 117.353 119.070 -0.233 0.000 2.827 32 H HA -0.123 4.433 4.556 -0.001 0.000 0.330 32 H C 0.670 175.924 175.328 -0.123 0.000 1.236 32 H CA 0.907 56.873 56.048 -0.137 0.000 1.165 32 H CB -1.939 27.776 29.762 -0.079 0.000 1.532 32 H HN 0.499 nan 8.280 nan 0.000 0.434 33 L N -0.367 120.791 121.223 -0.109 0.000 2.240 33 L HA 0.023 4.362 4.340 -0.001 0.000 0.211 33 L C 2.035 178.880 176.870 -0.042 0.000 1.106 33 L CA 1.126 55.915 54.840 -0.084 0.000 0.793 33 L CB 0.133 42.111 42.059 -0.134 0.000 0.927 33 L HN 0.699 nan 8.230 nan 0.000 0.446 34 G N 1.113 109.891 108.800 -0.036 0.000 2.221 34 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.265 34 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.265 34 G C 0.171 175.053 174.900 -0.030 0.000 1.041 34 G CA -0.106 44.982 45.100 -0.021 0.000 0.807 34 G HN 0.231 nan 8.290 nan 0.000 0.502 35 L N -0.530 120.665 121.223 -0.046 0.000 2.461 35 L HA 0.415 4.755 4.340 -0.001 0.000 0.272 35 L C 1.215 178.063 176.870 -0.038 0.000 1.197 35 L CA -0.244 54.570 54.840 -0.043 0.000 0.836 35 L CB 0.706 42.730 42.059 -0.059 0.000 1.105 35 L HN 0.253 nan 8.230 nan 0.000 0.477 36 R N 2.159 122.640 120.500 -0.032 0.000 2.393 36 R HA 0.475 4.815 4.340 -0.001 0.000 0.315 36 R C -1.617 174.660 176.300 -0.038 0.000 0.952 36 R CA -0.492 55.589 56.100 -0.032 0.000 0.842 36 R CB 1.286 31.572 30.300 -0.024 0.000 1.163 36 R HN 0.707 nan 8.270 nan 0.000 0.450 37 C N 2.764 122.036 119.300 -0.047 0.000 2.355 37 C HA 0.649 5.108 4.460 -0.001 0.000 0.332 37 C C 0.155 175.101 174.990 -0.073 0.000 1.255 37 C CA -0.532 58.449 59.018 -0.061 0.000 1.792 37 C CB 1.342 29.043 27.740 -0.064 0.000 2.300 37 C HN 0.830 nan 8.230 nan 0.000 0.515 38 T N -0.302 114.191 114.554 -0.102 0.000 2.893 38 T HA 0.585 4.935 4.350 -0.001 0.000 0.293 38 T C -1.115 173.463 174.700 -0.204 0.000 1.027 38 T CA -0.607 61.420 62.100 -0.121 0.000 0.988 38 T CB 1.484 70.291 68.868 -0.102 0.000 1.043 38 T HN 0.694 nan 8.240 nan 0.000 0.461 39 E N 0.570 120.658 120.200 -0.187 0.000 2.179 39 E HA 0.599 4.949 4.350 -0.001 0.000 0.275 39 E C -0.212 176.235 176.600 -0.254 0.000 0.945 39 E CA -1.042 55.209 56.400 -0.247 0.000 0.792 39 E CB 1.880 31.497 29.700 -0.140 0.000 1.125 39 E HN 0.900 nan 8.360 nan 0.000 0.397 40 G N 2.164 110.712 108.800 -0.421 0.000 2.574 40 G HA2 0.544 4.504 3.960 -0.001 0.000 0.299 40 G HA3 0.544 4.504 3.960 -0.001 0.000 0.299 40 G C -0.963 174.056 174.900 0.199 0.000 1.298 40 G CA -0.713 44.320 45.100 -0.112 0.000 0.952 40 G HN 0.332 nan 8.290 nan 0.000 0.477 41 L N 0.533 121.906 121.223 0.250 0.000 2.334 41 L HA 0.724 5.063 4.340 -0.001 0.000 0.277 41 L C -0.057 176.914 176.870 0.168 0.000 1.075 41 L CA -0.796 54.154 54.840 0.183 0.000 0.804 41 L CB 1.563 43.662 42.059 0.066 0.000 1.174 41 L HN 0.323 nan 8.230 nan 0.000 0.438 42 V N 2.030 121.979 119.914 0.058 0.000 3.147 42 V HA 0.836 4.956 4.120 -0.001 0.000 0.306 42 V C 0.397 176.382 176.094 -0.182 0.000 1.209 42 V CA 0.528 62.765 62.300 -0.106 0.000 1.023 42 V CB 1.746 33.470 31.823 -0.166 0.000 1.059 42 V HN 0.984 nan 8.190 nan 0.000 0.435 43 G N 3.856 112.501 108.800 -0.258 0.000 2.556 43 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.283 43 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.283 43 G C 1.085 175.606 174.900 -0.632 0.000 1.177 43 G CA 0.486 45.357 45.100 -0.382 0.000 0.978 43 G HN 2.124 nan 8.290 nan 0.000 0.554 44 G N -0.098 108.078 108.800 -1.039 0.000 2.448 44 G HA2 0.326 4.286 3.960 -0.001 0.000 0.218 44 G HA3 0.326 4.286 3.960 -0.001 0.000 0.218 44 G C 2.061 176.472 174.900 -0.815 0.000 1.135 44 G CA 2.540 46.482 45.100 -1.931 0.000 0.784 44 G HN 1.812 nan 8.290 nan 0.000 0.543 45 A N 1.074 123.653 122.820 -0.401 0.000 1.969 45 A HA 0.352 4.671 4.320 -0.001 0.000 0.218 45 A C 2.730 180.256 177.584 -0.096 0.000 1.169 45 A CA 1.979 53.953 52.037 -0.105 0.000 0.635 45 A CB -0.534 18.442 19.000 -0.040 0.000 0.810 45 A HN 0.629 nan 8.150 nan 0.000 0.445 46 A N -0.429 122.289 122.820 -0.170 0.000 1.929 46 A HA 0.092 4.411 4.320 -0.001 0.000 0.216 46 A C 2.124 179.628 177.584 -0.133 0.000 1.176 46 A CA 1.182 53.147 52.037 -0.121 0.000 0.628 46 A CB -0.469 18.450 19.000 -0.135 0.000 0.816 46 A HN 0.445 nan 8.150 nan 0.000 0.444 47 L N -0.436 120.630 121.223 -0.261 0.000 2.056 47 L HA -0.176 4.163 4.340 -0.001 0.000 0.207 47 L C 1.929 178.802 176.870 0.005 0.000 1.078 47 L CA 1.354 56.050 54.840 -0.240 0.000 0.749 47 L CB -0.558 41.125 42.059 -0.626 0.000 0.901 47 L HN 0.300 nan 8.230 nan 0.000 0.433 48 D N -0.046 120.396 120.400 0.071 0.000 2.178 48 D HA -0.147 4.492 4.640 -0.001 0.000 0.201 48 D C 1.989 178.358 176.300 0.116 0.000 0.980 48 D CA 1.514 55.624 54.000 0.184 0.000 0.842 48 D CB 0.155 41.089 40.800 0.223 0.000 0.948 48 D HN 0.361 nan 8.370 nan 0.000 0.472 49 A N -0.700 122.158 122.820 0.064 0.000 2.035 49 A HA 0.164 4.484 4.320 -0.001 0.000 0.208 49 A C 1.914 179.525 177.584 0.045 0.000 1.206 49 A CA 0.361 52.430 52.037 0.053 0.000 0.773 49 A CB 0.564 19.587 19.000 0.038 0.000 0.878 49 A HN 0.077 nan 8.150 nan 0.000 0.469 50 S N -1.127 114.592 115.700 0.031 0.000 2.733 50 S HA 0.212 4.681 4.470 -0.001 0.000 0.247 50 S C -0.077 174.547 174.600 0.039 0.000 1.043 50 S CA 0.224 58.441 58.200 0.029 0.000 1.066 50 S CB 0.205 63.412 63.200 0.011 0.000 1.045 50 S HN 0.563 nan 8.310 nan 0.000 0.586 51 D N 2.171 122.608 120.400 0.062 0.000 2.751 51 D HA -0.168 4.472 4.640 -0.001 0.000 0.233 51 D C -0.807 175.523 176.300 0.050 0.000 1.149 51 D CA 1.067 55.137 54.000 0.118 0.000 0.682 51 D CB -0.480 40.416 40.800 0.159 0.000 1.068 51 D HN 0.397 nan 8.370 nan 0.000 0.429 52 D N -1.988 118.389 120.400 -0.038 0.000 2.937 52 D HA 0.115 4.754 4.640 -0.001 0.000 0.215 52 D C -2.244 173.976 176.300 -0.134 0.000 1.274 52 D CA -1.330 52.632 54.000 -0.064 0.000 0.869 52 D CB 1.804 42.586 40.800 -0.030 0.000 1.675 52 D HN -0.148 nan 8.370 nan 0.000 0.538 53 P HA 0.048 nan 4.420 nan 0.000 0.230 53 P C 0.500 177.692 177.300 -0.180 0.000 1.158 53 P CA 0.219 63.188 63.100 -0.218 0.000 0.769 53 P CB 1.042 32.613 31.700 -0.215 0.000 0.807 54 L N -0.683 120.459 121.223 -0.135 0.000 2.422 54 L HA 0.391 4.730 4.340 -0.001 0.000 0.263 54 L C -3.020 173.799 176.870 -0.085 0.000 1.372 54 L CA -1.462 53.296 54.840 -0.137 0.000 0.857 54 L CB 1.815 43.781 42.059 -0.154 0.000 1.024 54 L HN -0.244 nan 8.230 nan 0.000 0.507 55 P HA 0.080 nan 4.420 nan 0.000 0.269 55 P C 0.762 178.054 177.300 -0.013 0.000 1.217 55 P CA 0.340 63.427 63.100 -0.022 0.000 0.783 55 P CB 0.924 32.623 31.700 -0.002 0.000 0.898 56 A N 2.607 125.426 122.820 -0.003 0.000 1.940 56 A HA -0.213 4.106 4.320 -0.001 0.000 0.219 56 A C 2.115 179.710 177.584 0.018 0.000 1.176 56 A CA 2.286 54.325 52.037 0.003 0.000 0.631 56 A CB -1.663 17.340 19.000 0.006 0.000 0.814 56 A HN 0.571 nan 8.150 nan 0.000 0.446 57 A N -0.721 122.116 122.820 0.029 0.000 1.930 57 A HA -0.034 4.285 4.320 -0.001 0.000 0.217 57 A C 2.431 180.066 177.584 0.084 0.000 1.175 57 A CA 1.969 54.035 52.037 0.047 0.000 0.627 57 A CB -0.771 18.254 19.000 0.043 0.000 0.815 57 A HN 0.461 nan 8.150 nan 0.000 0.443 58 S N -0.237 115.522 115.700 0.098 0.000 2.368 58 S HA -0.080 4.390 4.470 -0.001 0.000 0.224 58 S C 1.861 176.542 174.600 0.135 0.000 1.029 58 S CA 1.105 59.426 58.200 0.201 0.000 0.988 58 S CB -0.334 62.939 63.200 0.120 0.000 0.838 58 S HN 0.501 nan 8.310 nan 0.000 0.462 59 L N 2.537 123.772 121.223 0.020 0.000 2.056 59 L HA -0.151 4.189 4.340 -0.001 0.000 0.207 59 L C 2.537 179.432 176.870 0.042 0.000 1.078 59 L CA 2.033 56.867 54.840 -0.010 0.000 0.749 59 L CB -1.170 40.870 42.059 -0.032 0.000 0.901 59 L HN 0.527 nan 8.230 nan 0.000 0.433 60 Q N -0.756 119.074 119.800 0.050 0.000 2.167 60 Q HA -0.240 4.100 4.340 -0.001 0.000 0.202 60 Q C 2.185 178.229 176.000 0.074 0.000 0.970 60 Q CA 1.403 57.236 55.803 0.050 0.000 0.855 60 Q CB -0.708 28.052 28.738 0.036 0.000 0.911 60 Q HN 0.418 nan 8.270 nan 0.000 0.438 61 L N 1.518 122.810 121.223 0.115 0.000 2.017 61 L HA -0.083 4.257 4.340 -0.001 0.000 0.208 61 L C 2.455 179.420 176.870 0.158 0.000 1.073 61 L CA 2.271 57.186 54.840 0.125 0.000 0.745 61 L CB -0.958 41.192 42.059 0.153 0.000 0.894 61 L HN 0.282 nan 8.230 nan 0.000 0.432 62 A N -0.880 122.095 122.820 0.259 0.000 1.933 62 A HA -0.192 4.128 4.320 -0.001 0.000 0.218 62 A C 2.219 179.872 177.584 0.116 0.000 1.175 62 A CA 1.990 54.173 52.037 0.243 0.000 0.628 62 A CB -0.533 18.589 19.000 0.203 0.000 0.814 62 A HN 0.502 nan 8.150 nan 0.000 0.444 63 M N -0.502 119.144 119.600 0.077 0.000 2.159 63 M HA -0.096 4.383 4.480 -0.001 0.000 0.263 63 M C 2.355 178.682 176.300 0.045 0.000 1.063 63 M CA 1.582 56.909 55.300 0.046 0.000 1.110 63 M CB -1.243 31.375 32.600 0.030 0.000 1.374 63 M HN 0.485 nan 8.290 nan 0.000 0.411 64 A N -0.096 122.754 122.820 0.050 0.000 2.167 64 A HA 0.371 4.690 4.320 -0.001 0.000 0.214 64 A C 1.257 178.864 177.584 0.038 0.000 1.151 64 A CA 0.729 52.788 52.037 0.038 0.000 0.735 64 A CB -0.498 18.522 19.000 0.033 0.000 0.802 64 A HN 0.393 nan 8.150 nan 0.000 0.467 65 A N -0.552 122.299 122.820 0.052 0.000 2.264 65 A HA 0.487 4.807 4.320 -0.001 0.000 0.304 65 A C 0.474 178.091 177.584 0.055 0.000 1.100 65 A CA -0.128 51.938 52.037 0.050 0.000 0.839 65 A CB 0.488 19.525 19.000 0.062 0.000 1.121 65 A HN 0.267 nan 8.150 nan 0.000 0.496 66 D N -0.209 120.224 120.400 0.054 0.000 2.262 66 D HA 0.266 4.906 4.640 -0.001 0.000 0.212 66 D C 0.587 176.946 176.300 0.097 0.000 0.964 66 D CA 1.564 55.602 54.000 0.063 0.000 0.875 66 D CB 0.318 41.148 40.800 0.051 0.000 0.996 66 D HN 0.627 nan 8.370 nan 0.000 0.497 67 A N 0.725 123.613 122.820 0.112 0.000 2.414 67 A HA 0.567 4.886 4.320 -0.001 0.000 0.306 67 A C -0.888 176.802 177.584 0.176 0.000 1.054 67 A CA -0.509 51.643 52.037 0.192 0.000 0.724 67 A CB 2.162 21.286 19.000 0.205 0.000 1.267 67 A HN -0.082 nan 8.150 nan 0.000 0.418 68 V N 2.778 122.827 119.914 0.225 0.000 2.495 68 V HA 0.496 4.616 4.120 -0.001 0.000 0.298 68 V C -0.467 175.780 176.094 0.256 0.000 1.031 68 V CA -0.256 62.175 62.300 0.218 0.000 0.871 68 V CB 1.530 33.483 31.823 0.218 0.000 0.988 68 V HN 0.741 nan 8.190 nan 0.000 0.432 69 I N 5.364 126.057 120.570 0.204 0.000 2.406 69 I HA 0.545 4.715 4.170 -0.001 0.000 0.290 69 I C -0.768 175.459 176.117 0.184 0.000 0.999 69 I CA -0.515 60.894 61.300 0.181 0.000 1.124 69 I CB 1.892 39.951 38.000 0.099 0.000 1.289 69 I HN 0.441 nan 8.210 nan 0.000 0.441 70 L N 5.098 126.417 121.223 0.160 0.000 2.385 70 L HA 0.654 4.994 4.340 -0.001 0.000 0.273 70 L C 0.666 177.590 176.870 0.089 0.000 0.990 70 L CA -0.159 54.769 54.840 0.147 0.000 0.821 70 L CB 1.930 44.056 42.059 0.112 0.000 1.279 70 L HN 0.687 nan 8.230 nan 0.000 0.412 71 G N 3.088 111.940 108.800 0.086 0.000 2.624 71 G HA2 0.503 4.462 3.960 -0.001 0.000 0.216 71 G HA3 0.503 4.462 3.960 -0.001 0.000 0.216 71 G C 0.018 174.953 174.900 0.057 0.000 1.274 71 G CA 0.658 45.800 45.100 0.071 0.000 0.856 71 G HN 0.888 nan 8.290 nan 0.000 0.555 72 A N -1.633 121.223 122.820 0.060 0.000 2.608 72 A HA 0.618 4.938 4.320 -0.001 0.000 0.292 72 A C -1.258 176.339 177.584 0.022 0.000 1.066 72 A CA 0.056 52.124 52.037 0.052 0.000 0.676 72 A CB 1.262 20.325 19.000 0.106 0.000 1.277 72 A HN 1.571 nan 8.150 nan 0.000 0.413 73 V N -1.456 118.459 119.914 0.002 0.000 2.841 73 V HA 1.030 5.150 4.120 -0.001 0.000 0.310 73 V C 0.115 176.201 176.094 -0.013 0.000 1.090 73 V CA -0.005 62.263 62.300 -0.054 0.000 0.930 73 V CB 0.933 32.697 31.823 -0.098 0.000 1.014 73 V HN 2.873 nan 8.190 nan 0.000 0.425 74 G N 0.595 109.383 108.800 -0.020 0.000 2.428 74 G HA2 0.626 4.586 3.960 -0.001 0.000 0.681 74 G HA3 0.626 4.586 3.960 -0.001 0.000 0.681 74 G C -0.238 174.853 174.900 0.319 0.000 1.340 74 G CA -0.092 45.073 45.100 0.109 0.000 0.915 74 G HN 2.839 nan 8.290 nan 0.000 0.645 75 G N 0.386 109.416 108.800 0.384 0.000 2.322 75 G HA2 0.682 4.642 3.960 -0.001 0.000 0.289 75 G HA3 0.682 4.642 3.960 -0.001 0.000 0.289 75 G C -1.624 173.405 174.900 0.216 0.000 1.687 75 G CA 0.477 45.784 45.100 0.344 0.000 0.944 75 G HN 0.886 nan 8.290 nan 0.000 0.718 76 P HA -0.064 nan 4.420 nan 0.000 0.228 76 P C 1.440 178.653 177.300 -0.146 0.000 1.151 76 P CA 0.436 63.525 63.100 -0.018 0.000 0.770 76 P CB 0.294 31.976 31.700 -0.030 0.000 0.786 77 R N -0.954 119.288 120.500 -0.430 0.000 2.193 77 R HA -0.055 4.285 4.340 -0.001 0.000 0.229 77 R C 1.665 177.543 176.300 -0.704 0.000 1.110 77 R CA 1.026 56.669 56.100 -0.761 0.000 0.988 77 R CB -0.763 28.680 30.300 -1.428 0.000 0.871 77 R HN 0.407 nan 8.270 nan 0.000 0.458 78 W N -0.126 121.235 121.300 0.101 0.000 2.966 78 W HA 0.224 4.884 4.660 -0.001 0.000 0.406 78 W C -0.103 176.542 176.519 0.211 0.000 1.027 78 W CA -0.755 56.702 57.345 0.186 0.000 1.930 78 W CB 0.282 29.715 29.460 -0.045 0.000 1.144 78 W HN 0.074 nan 8.180 nan 0.000 0.626 79 D N 1.109 121.642 120.400 0.221 0.000 2.219 79 D HA -0.081 4.558 4.640 -0.001 0.000 0.205 79 D C 2.300 178.684 176.300 0.140 0.000 0.970 79 D CA 1.057 55.150 54.000 0.154 0.000 0.851 79 D CB -0.198 40.645 40.800 0.071 0.000 0.943 79 D HN -0.002 nan 8.370 nan 0.000 0.488 80 A N -0.444 122.448 122.820 0.120 0.000 2.216 80 A HA -0.093 4.227 4.320 -0.001 0.000 0.214 80 A C 0.333 177.905 177.584 -0.021 0.000 1.160 80 A CA 0.408 52.455 52.037 0.016 0.000 0.725 80 A CB -0.551 18.411 19.000 -0.062 0.000 0.784 80 A HN 0.151 nan 8.150 nan 0.000 0.472 81 Y N -0.163 120.181 120.300 0.074 0.000 2.307 81 Y HA 0.387 4.936 4.550 -0.001 0.000 0.324 81 Y C -1.999 173.927 175.900 0.044 0.000 1.238 81 Y CA -2.288 55.857 58.100 0.075 0.000 1.280 81 Y CB 0.342 38.876 38.460 0.122 0.000 1.248 81 Y HN 0.046 nan 8.280 nan 0.000 0.508 82 P HA 0.036 nan 4.420 nan 0.000 0.269 82 P C -2.114 175.242 177.300 0.093 0.000 1.215 82 P CA -0.907 62.252 63.100 0.098 0.000 0.780 82 P CB 0.429 32.176 31.700 0.077 0.000 0.898 83 P HA -0.230 nan 4.420 nan 0.000 0.216 83 P C 1.076 178.375 177.300 -0.003 0.000 1.150 83 P CA 1.933 65.040 63.100 0.012 0.000 0.843 83 P CB -0.306 31.384 31.700 -0.018 0.000 0.787 84 A N -0.841 121.980 122.820 0.002 0.000 2.119 84 A HA -0.109 4.210 4.320 -0.001 0.000 0.217 84 A C 1.813 179.394 177.584 -0.005 0.000 1.153 84 A CA 1.244 53.275 52.037 -0.010 0.000 0.692 84 A CB -0.692 18.305 19.000 -0.005 0.000 0.799 84 A HN 0.173 nan 8.150 nan 0.000 0.458 85 K N -0.327 120.088 120.400 0.025 0.000 2.373 85 K HA 0.128 4.448 4.320 -0.001 0.000 0.202 85 K C -0.238 176.324 176.600 -0.063 0.000 1.025 85 K CA -0.384 55.907 56.287 0.008 0.000 1.115 85 K CB 0.427 32.997 32.500 0.118 0.000 0.858 85 K HN 0.213 nan 8.250 nan 0.000 0.525 86 R N 0.893 121.373 120.500 -0.033 0.000 2.643 86 R HA 0.042 4.382 4.340 -0.001 0.000 0.270 86 R C -1.896 174.322 176.300 -0.136 0.000 1.061 86 R CA -1.993 54.077 56.100 -0.050 0.000 1.107 86 R CB -0.344 29.954 30.300 -0.003 0.000 0.999 86 R HN -0.111 nan 8.270 nan 0.000 0.460 87 P HA -0.234 nan 4.420 nan 0.000 0.217 87 P C 0.937 178.133 177.300 -0.173 0.000 1.158 87 P CA 1.571 64.507 63.100 -0.274 0.000 0.887 87 P CB 0.201 31.712 31.700 -0.315 0.000 0.792 88 E N -0.658 119.480 120.200 -0.104 0.000 2.409 88 E HA -0.184 4.165 4.350 -0.001 0.000 0.198 88 E C 1.573 178.130 176.600 -0.072 0.000 1.024 88 E CA 0.916 57.271 56.400 -0.074 0.000 0.861 88 E CB -0.907 28.765 29.700 -0.046 0.000 0.788 88 E HN 0.334 nan 8.360 nan 0.000 0.521 89 Q N 0.728 120.478 119.800 -0.084 0.000 2.167 89 Q HA -0.022 4.318 4.340 -0.001 0.000 0.202 89 Q C 2.251 178.213 176.000 -0.063 0.000 0.970 89 Q CA 1.538 57.301 55.803 -0.066 0.000 0.855 89 Q CB -0.627 28.070 28.738 -0.068 0.000 0.911 89 Q HN 0.531 nan 8.270 nan 0.000 0.438 90 G N 1.128 109.864 108.800 -0.107 0.000 2.418 90 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.217 90 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.217 90 G C 1.497 176.322 174.900 -0.124 0.000 1.158 90 G CA 0.751 45.771 45.100 -0.134 0.000 0.771 90 G HN 0.336 nan 8.290 nan 0.000 0.545 91 L N 0.420 121.585 121.223 -0.098 0.000 2.046 91 L HA 0.120 4.459 4.340 -0.001 0.000 0.208 91 L C 2.613 179.483 176.870 -0.000 0.000 1.077 91 L CA 1.403 56.203 54.840 -0.066 0.000 0.747 91 L CB -0.436 41.598 42.059 -0.041 0.000 0.896 91 L HN 0.199 nan 8.230 nan 0.000 0.432 92 L N -0.868 120.384 121.223 0.048 0.000 2.093 92 L HA -0.138 4.202 4.340 -0.001 0.000 0.208 92 L C 2.736 179.725 176.870 0.198 0.000 1.085 92 L CA 1.052 56.005 54.840 0.189 0.000 0.755 92 L CB -0.468 41.682 42.059 0.152 0.000 0.904 92 L HN 0.230 nan 8.230 nan 0.000 0.435 93 R N -0.301 120.242 120.500 0.072 0.000 2.148 93 R HA -0.050 4.289 4.340 -0.001 0.000 0.223 93 R C 2.247 178.522 176.300 -0.041 0.000 1.088 93 R CA 0.856 56.968 56.100 0.021 0.000 0.985 93 R CB -0.172 30.117 30.300 -0.017 0.000 0.880 93 R HN 0.345 nan 8.270 nan 0.000 0.451 94 L N 0.182 121.361 121.223 -0.073 0.000 2.005 94 L HA -0.157 4.182 4.340 -0.001 0.000 0.207 94 L C 2.571 179.399 176.870 -0.070 0.000 1.072 94 L CA 1.442 56.216 54.840 -0.109 0.000 0.744 94 L CB -0.352 41.605 42.059 -0.170 0.000 0.895 94 L HN 0.120 nan 8.230 nan 0.000 0.433 95 R N 0.016 120.494 120.500 -0.036 0.000 2.094 95 R HA -0.240 4.100 4.340 -0.001 0.000 0.239 95 R C 2.342 178.590 176.300 -0.088 0.000 1.137 95 R CA 1.732 57.814 56.100 -0.030 0.000 0.943 95 R CB -0.355 29.976 30.300 0.051 0.000 0.850 95 R HN 0.061 nan 8.270 nan 0.000 0.433 96 K N 0.163 120.475 120.400 -0.147 0.000 2.057 96 K HA -0.059 4.261 4.320 -0.001 0.000 0.206 96 K C 1.998 178.490 176.600 -0.179 0.000 1.050 96 K CA 1.740 57.832 56.287 -0.325 0.000 0.935 96 K CB -0.758 31.433 32.500 -0.516 0.000 0.715 96 K HN 0.248 nan 8.250 nan 0.000 0.439 97 G N -0.055 108.680 108.800 -0.108 0.000 2.422 97 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.218 97 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.218 97 G C 1.083 175.951 174.900 -0.053 0.000 1.146 97 G CA 0.819 45.876 45.100 -0.072 0.000 0.769 97 G HN 0.261 nan 8.290 nan 0.000 0.547 98 L N 0.159 121.352 121.223 -0.050 0.000 2.591 98 L HA 0.262 4.602 4.340 -0.001 0.000 0.228 98 L C 0.771 177.631 176.870 -0.017 0.000 1.133 98 L CA 0.259 55.083 54.840 -0.028 0.000 0.880 98 L CB -0.172 41.871 42.059 -0.026 0.000 1.033 98 L HN 0.220 nan 8.230 nan 0.000 0.450 99 D N 0.236 120.617 120.400 -0.031 0.000 2.689 99 D HA -0.235 4.404 4.640 -0.001 0.000 0.237 99 D C -0.160 176.188 176.300 0.080 0.000 1.148 99 D CA 0.501 54.508 54.000 0.012 0.000 0.656 99 D CB -0.870 39.952 40.800 0.036 0.000 1.050 99 D HN 0.193 nan 8.370 nan 0.000 0.426 100 L N 1.586 122.805 121.223 -0.007 0.000 2.399 100 L HA 0.138 4.478 4.340 -0.001 0.000 0.257 100 L C 1.535 178.370 176.870 -0.059 0.000 1.236 100 L CA -0.620 54.169 54.840 -0.084 0.000 1.144 100 L CB -0.579 41.411 42.059 -0.116 0.000 1.379 100 L HN 0.282 nan 8.230 nan 0.000 0.414 101 Y N 0.409 120.684 120.300 -0.042 0.000 2.516 101 Y HA 0.313 4.863 4.550 -0.001 0.000 0.291 101 Y C 1.042 176.940 175.900 -0.004 0.000 1.131 101 Y CA -0.211 57.882 58.100 -0.011 0.000 1.281 101 Y CB -0.016 38.447 38.460 0.006 0.000 1.013 101 Y HN 0.361 nan 8.280 nan 0.000 0.554 102 A N 2.257 124.787 122.820 -0.484 0.000 2.412 102 A HA 0.206 4.526 4.320 -0.001 0.000 0.334 102 A C -0.616 176.835 177.584 -0.221 0.000 1.419 102 A CA -0.686 51.164 52.037 -0.312 0.000 0.930 102 A CB -0.489 18.232 19.000 -0.466 0.000 1.149 102 A HN 0.529 nan 8.150 nan 0.000 0.515 103 N N 3.342 121.972 118.700 -0.117 0.000 2.419 103 N HA 0.389 5.128 4.740 -0.001 0.000 0.264 103 N C -1.121 174.331 175.510 -0.097 0.000 1.031 103 N CA -0.167 52.816 53.050 -0.112 0.000 0.951 103 N CB 0.586 39.032 38.487 -0.069 0.000 1.101 103 N HN 0.573 nan 8.380 nan 0.000 0.488 104 L N 4.451 125.603 121.223 -0.119 0.000 2.298 104 L HA 0.470 4.810 4.340 -0.001 0.000 0.284 104 L C 0.175 177.015 176.870 -0.050 0.000 1.013 104 L CA -0.581 54.205 54.840 -0.090 0.000 0.824 104 L CB 1.387 43.368 42.059 -0.131 0.000 1.221 104 L HN 0.356 nan 8.230 nan 0.000 0.418 105 R N 4.471 124.951 120.500 -0.033 0.000 2.363 105 R HA 0.328 4.668 4.340 -0.001 0.000 0.297 105 R C -2.596 173.699 176.300 -0.009 0.000 1.208 105 R CA -1.631 54.459 56.100 -0.016 0.000 1.121 105 R CB 1.605 31.892 30.300 -0.021 0.000 1.124 105 R HN 0.325 nan 8.270 nan 0.000 0.561 106 P HA 0.130 nan 4.420 nan 0.000 0.276 106 P C -0.981 176.321 177.300 0.004 0.000 1.235 106 P CA -0.260 62.844 63.100 0.007 0.000 0.772 106 P CB 1.644 33.358 31.700 0.023 0.000 0.871 107 A N 3.098 125.913 122.820 -0.009 0.000 2.323 107 A HA 0.560 4.880 4.320 -0.001 0.000 0.305 107 A C -0.366 177.206 177.584 -0.020 0.000 1.275 107 A CA -0.342 51.690 52.037 -0.008 0.000 0.804 107 A CB 0.835 19.827 19.000 -0.013 0.000 1.152 107 A HN 0.501 nan 8.150 nan 0.000 0.487 108 Q N 1.816 121.593 119.800 -0.039 0.000 2.462 108 Q HA 0.714 5.054 4.340 -0.001 0.000 0.285 108 Q C -1.906 174.041 176.000 -0.088 0.000 1.035 108 Q CA -0.415 55.341 55.803 -0.079 0.000 0.799 108 Q CB 1.413 30.069 28.738 -0.137 0.000 1.452 108 Q HN 0.638 nan 8.270 nan 0.000 0.404 109 I N 2.564 123.085 120.570 -0.081 0.000 2.412 109 I HA 0.382 4.552 4.170 -0.001 0.000 0.296 109 I C -0.484 175.587 176.117 -0.076 0.000 0.987 109 I CA -0.849 60.440 61.300 -0.018 0.000 1.180 109 I CB 0.991 39.007 38.000 0.027 0.000 1.340 109 I HN 0.566 nan 8.210 nan 0.000 0.455 110 F N 7.181 127.142 119.950 0.019 0.000 2.467 110 F HA 0.199 4.725 4.527 -0.001 0.000 0.362 110 F C -1.031 174.777 175.800 0.014 0.000 1.090 110 F CA -1.392 56.618 58.000 0.017 0.000 1.202 110 F CB 0.511 39.522 39.000 0.017 0.000 1.113 110 F HN 0.382 nan 8.300 nan 0.000 0.541 111 P HA -0.254 nan 4.420 nan 0.000 0.219 111 P C 0.681 178.037 177.300 0.094 0.000 1.144 111 P CA 1.513 64.668 63.100 0.091 0.000 0.806 111 P CB 0.134 31.873 31.700 0.065 0.000 0.771 112 Q N -0.884 118.991 119.800 0.125 0.000 2.392 112 Q HA 0.103 4.442 4.340 -0.001 0.000 0.203 112 Q C 1.585 177.628 176.000 0.072 0.000 0.917 112 Q CA 0.467 56.318 55.803 0.080 0.000 0.939 112 Q CB -0.306 28.469 28.738 0.062 0.000 1.063 112 Q HN 0.353 nan 8.270 nan 0.000 0.516 113 L N 0.419 121.707 121.223 0.109 0.000 2.959 113 L HA 0.259 4.598 4.340 -0.001 0.000 0.259 113 L C 1.720 178.640 176.870 0.083 0.000 1.185 113 L CA -0.127 54.768 54.840 0.092 0.000 0.998 113 L CB 0.155 42.288 42.059 0.124 0.000 1.337 113 L HN 0.074 nan 8.230 nan 0.000 0.555 114 L N 0.529 121.797 121.223 0.074 0.000 2.127 114 L HA -0.257 4.082 4.340 -0.001 0.000 0.211 114 L C 1.859 178.753 176.870 0.041 0.000 1.089 114 L CA 1.781 56.654 54.840 0.055 0.000 0.757 114 L CB 0.050 42.135 42.059 0.044 0.000 0.899 114 L HN 0.374 nan 8.230 nan 0.000 0.434 115 D N -0.792 119.629 120.400 0.036 0.000 2.310 115 D HA -0.144 4.496 4.640 -0.001 0.000 0.212 115 D C 1.971 178.287 176.300 0.027 0.000 0.965 115 D CA 0.892 54.908 54.000 0.028 0.000 0.879 115 D CB 0.225 41.038 40.800 0.023 0.000 0.921 115 D HN 0.385 nan 8.370 nan 0.000 0.510 116 A N -0.436 122.404 122.820 0.033 0.000 2.167 116 A HA 0.059 4.379 4.320 -0.001 0.000 0.214 116 A C 1.333 178.936 177.584 0.032 0.000 1.151 116 A CA 0.170 52.226 52.037 0.031 0.000 0.735 116 A CB -0.195 18.827 19.000 0.037 0.000 0.802 116 A HN 0.215 nan 8.150 nan 0.000 0.467 117 S N 0.196 115.916 115.700 0.033 0.000 2.531 117 S HA 0.304 4.773 4.470 -0.001 0.000 0.279 117 S C -1.450 173.164 174.600 0.024 0.000 1.305 117 S CA -1.095 57.123 58.200 0.030 0.000 1.058 117 S CB 0.781 63.999 63.200 0.031 0.000 0.899 117 S HN 0.180 nan 8.310 nan 0.000 0.493 118 P HA 0.106 nan 4.420 nan 0.000 0.225 118 P C -0.250 177.060 177.300 0.017 0.000 1.156 118 P CA 0.616 63.727 63.100 0.018 0.000 0.787 118 P CB 0.123 31.833 31.700 0.017 0.000 0.802 119 L N -0.641 120.593 121.223 0.019 0.000 2.439 119 L HA 0.297 4.637 4.340 -0.001 0.000 0.259 119 L C 0.836 177.716 176.870 0.017 0.000 1.129 119 L CA -1.066 53.785 54.840 0.018 0.000 0.803 119 L CB 0.388 42.459 42.059 0.021 0.000 1.161 119 L HN -0.215 nan 8.230 nan 0.000 0.462 120 R N 1.222 121.731 120.500 0.015 0.000 2.537 120 R HA 0.043 4.383 4.340 -0.001 0.000 0.280 120 R C -1.591 174.717 176.300 0.014 0.000 1.058 120 R CA -1.119 54.989 56.100 0.014 0.000 1.057 120 R CB 0.000 30.307 30.300 0.011 0.000 0.973 120 R HN 0.355 nan 8.270 nan 0.000 0.438 121 P HA -0.333 nan 4.420 nan 0.000 0.218 121 P C 0.907 178.215 177.300 0.013 0.000 1.165 121 P CA 1.554 64.663 63.100 0.015 0.000 0.922 121 P CB 0.120 31.828 31.700 0.013 0.000 0.794 122 E N -0.217 119.989 120.200 0.010 0.000 2.209 122 E HA -0.174 4.176 4.350 -0.001 0.000 0.196 122 E C 2.021 178.627 176.600 0.009 0.000 0.993 122 E CA 1.202 57.607 56.400 0.008 0.000 0.819 122 E CB -1.321 28.382 29.700 0.006 0.000 0.745 122 E HN 0.312 nan 8.360 nan 0.000 0.477 123 L N 1.046 122.277 121.223 0.012 0.000 2.007 123 L HA -0.090 4.249 4.340 -0.001 0.000 0.205 123 L C 2.542 179.423 176.870 0.019 0.000 1.073 123 L CA 1.418 56.267 54.840 0.016 0.000 0.744 123 L CB -0.360 41.710 42.059 0.019 0.000 0.898 123 L HN 0.096 nan 8.230 nan 0.000 0.435 124 V N -3.614 116.312 119.914 0.021 0.000 3.620 124 V HA 0.065 4.184 4.120 -0.001 0.000 0.286 124 V C 2.081 178.184 176.094 0.016 0.000 1.288 124 V CA 0.286 62.599 62.300 0.022 0.000 1.178 124 V CB -0.680 31.158 31.823 0.024 0.000 0.986 124 V HN 0.313 nan 8.190 nan 0.000 0.431 125 R N 1.246 121.754 120.500 0.013 0.000 2.117 125 R HA -0.099 4.240 4.340 -0.001 0.000 0.243 125 R C 0.840 177.142 176.300 0.002 0.000 1.143 125 R CA 1.922 58.027 56.100 0.009 0.000 0.968 125 R CB -0.101 30.203 30.300 0.007 0.000 0.863 125 R HN 0.651 nan 8.270 nan 0.000 0.444 126 D N -0.097 120.305 120.400 0.002 0.000 2.623 126 D HA 0.032 4.672 4.640 -0.001 0.000 0.252 126 D C -0.529 175.771 176.300 0.000 0.000 1.294 126 D CA -0.100 53.897 54.000 -0.004 0.000 0.824 126 D CB 0.765 41.562 40.800 -0.005 0.000 1.070 126 D HN -0.070 nan 8.370 nan 0.000 0.487 127 V N 1.906 121.825 119.914 0.007 0.000 2.434 127 V HA 0.030 4.150 4.120 -0.001 0.000 0.281 127 V C -0.527 175.568 176.094 0.002 0.000 1.005 127 V CA 0.739 63.051 62.300 0.019 0.000 1.089 127 V CB 0.612 32.451 31.823 0.027 0.000 0.978 127 V HN 0.041 nan 8.190 nan 0.000 0.474 128 D N 6.900 127.307 120.400 0.011 0.000 2.346 128 D HA 0.407 5.047 4.640 -0.001 0.000 0.255 128 D C -0.731 175.580 176.300 0.018 0.000 1.276 128 D CA -0.219 53.778 54.000 -0.004 0.000 0.941 128 D CB 0.829 41.619 40.800 -0.015 0.000 1.199 128 D HN 0.525 nan 8.370 nan 0.000 0.537 129 I N 2.027 122.605 120.570 0.013 0.000 2.646 129 I HA 0.430 4.599 4.170 -0.001 0.000 0.299 129 I C -0.802 175.311 176.117 -0.006 0.000 1.036 129 I CA -1.266 60.045 61.300 0.019 0.000 1.074 129 I CB 2.587 40.592 38.000 0.008 0.000 1.258 129 I HN 0.174 nan 8.210 nan 0.000 0.430 130 L N 6.421 127.639 121.223 -0.008 0.000 2.345 130 L HA 0.501 4.841 4.340 -0.001 0.000 0.274 130 L C -0.915 175.935 176.870 -0.034 0.000 0.999 130 L CA -0.411 54.419 54.840 -0.016 0.000 0.849 130 L CB 1.484 43.538 42.059 -0.007 0.000 1.220 130 L HN 0.297 nan 8.230 nan 0.000 0.422 131 V N 6.004 125.892 119.914 -0.044 0.000 2.408 131 V HA 0.300 4.419 4.120 -0.001 0.000 0.267 131 V C -0.014 176.058 176.094 -0.037 0.000 1.047 131 V CA -0.458 61.811 62.300 -0.052 0.000 0.937 131 V CB 1.295 33.080 31.823 -0.063 0.000 0.999 131 V HN 0.489 nan 8.190 nan 0.000 0.472 132 V N 6.759 126.657 119.914 -0.025 0.000 2.294 132 V HA 0.407 4.526 4.120 -0.001 0.000 0.272 132 V C 0.343 176.453 176.094 0.027 0.000 1.027 132 V CA -0.531 61.762 62.300 -0.011 0.000 0.823 132 V CB 0.908 32.722 31.823 -0.015 0.000 1.030 132 V HN 0.872 nan 8.190 nan 0.000 0.457 133 R N 3.676 124.185 120.500 0.014 0.000 2.346 133 R HA 0.362 4.702 4.340 -0.001 0.000 0.311 133 R C -0.122 176.220 176.300 0.070 0.000 0.983 133 R CA -0.596 55.521 56.100 0.028 0.000 0.880 133 R CB 1.255 31.542 30.300 -0.022 0.000 1.100 133 R HN 0.629 nan 8.270 nan 0.000 0.453 134 E N 4.224 124.515 120.200 0.152 0.000 2.344 134 E HA -0.021 4.329 4.350 -0.001 0.000 0.270 134 E C -0.252 176.432 176.600 0.141 0.000 1.021 134 E CA 0.052 56.593 56.400 0.235 0.000 0.887 134 E CB 1.255 31.201 29.700 0.410 0.000 0.997 134 E HN 0.597 nan 8.360 nan 0.000 0.429 135 L N 3.886 125.197 121.223 0.147 0.000 2.672 135 L HA 0.055 4.394 4.340 -0.001 0.000 0.236 135 L C 1.750 178.730 176.870 0.182 0.000 1.092 135 L CA 1.001 55.897 54.840 0.094 0.000 0.887 135 L CB 0.262 42.346 42.059 0.041 0.000 1.168 135 L HN 0.647 nan 8.230 nan 0.000 0.502 136 T N -4.151 110.505 114.554 0.171 0.000 3.054 136 T HA 0.480 4.829 4.350 -0.001 0.000 0.255 136 T C 0.852 175.575 174.700 0.039 0.000 1.035 136 T CA 0.268 62.362 62.100 -0.010 0.000 0.941 136 T CB 0.362 69.176 68.868 -0.090 0.000 1.026 136 T HN 0.181 nan 8.240 nan 0.000 0.533 137 G N 0.081 109.027 108.800 0.243 0.000 3.211 137 G HA2 0.610 4.570 3.960 -0.001 0.000 0.167 137 G HA3 0.610 4.570 3.960 -0.001 0.000 0.167 137 G C -0.881 174.006 174.900 -0.022 0.000 1.212 137 G CA 0.059 45.239 45.100 0.134 0.000 0.928 137 G HN 0.291 nan 8.290 nan 0.000 0.607 138 D N -2.170 117.834 120.400 -0.661 0.000 4.199 138 D HA -0.225 4.414 4.640 -0.001 0.000 0.291 138 D C 1.277 177.444 176.300 -0.221 0.000 2.213 138 D CA 0.735 54.341 54.000 -0.657 0.000 1.174 138 D CB -0.777 39.818 40.800 -0.341 0.000 1.012 138 D HN 0.539 nan 8.370 nan 0.000 1.213 139 I N 0.331 120.819 120.570 -0.137 0.000 2.567 139 I HA -0.265 3.904 4.170 -0.001 0.000 0.257 139 I C 1.841 177.929 176.117 -0.048 0.000 1.184 139 I CA 0.969 62.230 61.300 -0.065 0.000 1.451 139 I CB -0.150 37.818 38.000 -0.053 0.000 1.089 139 I HN 0.392 nan 8.210 nan 0.000 0.441 140 Y N 0.259 120.404 120.300 -0.258 0.000 2.224 140 Y HA -0.198 4.351 4.550 -0.001 0.000 0.289 140 Y C 1.514 176.984 175.900 -0.716 0.000 1.146 140 Y CA 1.917 59.731 58.100 -0.476 0.000 1.182 140 Y CB -0.257 37.895 38.460 -0.514 0.000 0.983 140 Y HN 0.190 nan 8.280 nan 0.000 0.524 141 F N -1.612 118.372 119.950 0.056 0.000 2.746 141 F HA 0.377 4.904 4.527 -0.001 0.000 0.320 141 F C 1.376 177.155 175.800 -0.036 0.000 1.097 141 F CA -0.476 57.524 58.000 -0.001 0.000 1.195 141 F CB -0.282 38.725 39.000 0.010 0.000 1.056 141 F HN -0.227 nan 8.300 nan 0.000 0.562 142 G N 1.029 109.858 108.800 0.049 0.000 2.491 142 G HA2 0.384 4.344 3.960 -0.001 0.000 0.238 142 G HA3 0.384 4.344 3.960 -0.001 0.000 0.238 142 G C -0.317 174.594 174.900 0.018 0.000 1.277 142 G CA -0.106 45.003 45.100 0.015 0.000 0.851 142 G HN 0.024 nan 8.290 nan 0.000 0.573 143 Q N 0.902 120.723 119.800 0.034 0.000 2.394 143 Q HA 0.387 4.727 4.340 -0.001 0.000 0.273 143 Q C -2.198 173.844 176.000 0.070 0.000 1.089 143 Q CA -1.428 54.404 55.803 0.048 0.000 0.812 143 Q CB 2.797 31.563 28.738 0.047 0.000 1.353 143 Q HN 0.501 nan 8.270 nan 0.000 0.438 144 P HA 0.410 nan 4.420 nan 0.000 0.277 144 P C -0.765 176.637 177.300 0.171 0.000 1.271 144 P CA -0.340 62.864 63.100 0.173 0.000 0.795 144 P CB 1.263 33.119 31.700 0.261 0.000 1.101 145 R N -1.800 118.694 120.500 -0.009 0.000 2.728 145 R HA 0.742 5.081 4.340 -0.001 0.000 0.274 145 R C -0.739 175.039 176.300 -0.871 0.000 1.030 145 R CA -0.645 55.160 56.100 -0.491 0.000 0.876 145 R CB 0.805 30.940 30.300 -0.274 0.000 1.259 145 R HN 0.795 nan 8.270 nan 0.000 0.468 146 G N 0.111 108.221 108.800 -1.151 0.000 2.347 146 G HA2 0.251 4.211 3.960 -0.001 0.000 0.341 146 G HA3 0.251 4.211 3.960 -0.001 0.000 0.341 146 G C -2.215 172.318 174.900 -0.611 0.000 1.287 146 G CA -0.893 43.772 45.100 -0.724 0.000 0.984 146 G HN 0.384 nan 8.290 nan 0.000 0.526 147 L N 1.271 122.376 121.223 -0.197 0.000 2.329 147 L HA 0.777 5.116 4.340 -0.001 0.000 0.279 147 L C 0.289 177.223 176.870 0.106 0.000 1.014 147 L CA -0.451 54.378 54.840 -0.019 0.000 0.814 147 L CB 1.747 43.788 42.059 -0.031 0.000 1.257 147 L HN 0.946 nan 8.230 nan 0.000 0.424 148 E N 1.705 122.009 120.200 0.173 0.000 2.433 148 E HA 0.688 5.037 4.350 -0.001 0.000 0.278 148 E C -1.736 174.914 176.600 0.084 0.000 0.976 148 E CA -1.004 55.482 56.400 0.143 0.000 0.793 148 E CB 2.136 31.954 29.700 0.197 0.000 1.311 148 E HN 0.116 nan 8.360 nan 0.000 0.460 149 V N 2.427 122.373 119.914 0.053 0.000 2.334 149 V HA 0.310 4.430 4.120 -0.001 0.000 0.281 149 V C -0.671 175.434 176.094 0.019 0.000 1.016 149 V CA -0.716 61.603 62.300 0.031 0.000 0.832 149 V CB 0.936 32.772 31.823 0.023 0.000 0.999 149 V HN 0.575 nan 8.190 nan 0.000 0.439 150 I N 3.897 124.474 120.570 0.012 0.000 2.330 150 I HA 0.415 4.584 4.170 -0.001 0.000 0.289 150 I C 0.421 176.537 176.117 -0.002 0.000 1.001 150 I CA -0.237 61.062 61.300 -0.002 0.000 1.193 150 I CB 1.101 39.092 38.000 -0.015 0.000 1.345 150 I HN 0.642 nan 8.210 nan 0.000 0.461 151 D N 5.553 125.951 120.400 -0.003 0.000 2.689 151 D HA -0.187 4.452 4.640 -0.001 0.000 0.237 151 D C 1.277 177.578 176.300 0.000 0.000 1.148 151 D CA 1.403 55.402 54.000 -0.003 0.000 0.656 151 D CB -0.746 40.051 40.800 -0.005 0.000 1.050 151 D HN 1.134 nan 8.370 nan 0.000 0.426 152 G N -0.721 108.081 108.800 0.003 0.000 2.168 152 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.263 152 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.263 152 G C 0.180 175.083 174.900 0.006 0.000 0.977 152 G CA 0.697 45.800 45.100 0.004 0.000 0.659 152 G HN 0.340 nan 8.290 nan 0.000 0.533 153 K N 0.485 120.890 120.400 0.007 0.000 2.323 153 K HA 0.424 4.743 4.320 -0.001 0.000 0.259 153 K C 0.505 177.115 176.600 0.017 0.000 0.947 153 K CA -0.849 55.444 56.287 0.010 0.000 0.819 153 K CB 1.454 33.958 32.500 0.007 0.000 1.109 153 K HN 0.334 nan 8.250 nan 0.000 0.429 154 R N 1.707 122.219 120.500 0.020 0.000 2.489 154 R HA 0.127 4.466 4.340 -0.001 0.000 0.287 154 R C 0.370 176.696 176.300 0.043 0.000 1.053 154 R CA 0.244 56.362 56.100 0.031 0.000 1.036 154 R CB 0.550 30.864 30.300 0.023 0.000 0.966 154 R HN 0.379 nan 8.270 nan 0.000 0.432 155 R N 1.626 122.169 120.500 0.072 0.000 2.502 155 R HA 0.349 4.688 4.340 -0.001 0.000 0.300 155 R C -0.951 175.465 176.300 0.193 0.000 0.984 155 R CA -0.449 55.715 56.100 0.107 0.000 0.882 155 R CB 1.744 32.096 30.300 0.087 0.000 1.180 155 R HN 0.791 nan 8.270 nan 0.000 0.444 156 G N 3.659 112.552 108.800 0.155 0.000 2.388 156 G HA2 0.621 4.580 3.960 -0.001 0.000 0.330 156 G HA3 0.621 4.580 3.960 -0.001 0.000 0.330 156 G C -1.150 173.881 174.900 0.218 0.000 1.142 156 G CA -0.540 44.628 45.100 0.114 0.000 0.908 156 G HN 0.510 nan 8.290 nan 0.000 0.473 157 F N -0.672 119.262 119.950 -0.027 0.000 2.654 157 F HA 0.732 5.259 4.527 0.000 0.000 0.308 157 F C -1.150 174.629 175.800 -0.036 0.000 1.108 157 F CA -1.799 56.185 58.000 -0.027 0.000 0.957 157 F CB 1.392 40.379 39.000 -0.020 0.000 1.309 157 F HN 0.413 nan 8.300 nan 0.000 0.446 158 N N -0.427 118.297 118.700 0.040 0.000 2.277 158 N HA 0.621 5.360 4.740 -0.001 0.000 0.286 158 N C -1.783 173.754 175.510 0.045 0.000 1.140 158 N CA -0.914 52.111 53.050 -0.043 0.000 0.799 158 N CB 2.607 41.036 38.487 -0.096 0.000 1.596 158 N HN 0.736 nan 8.380 nan 0.000 0.473 159 T N 1.464 116.033 114.554 0.026 0.000 2.756 159 T HA 0.332 4.681 4.350 -0.001 0.000 0.290 159 T C -0.375 174.314 174.700 -0.019 0.000 0.985 159 T CA -0.370 61.748 62.100 0.031 0.000 0.955 159 T CB 0.454 69.353 68.868 0.052 0.000 0.930 159 T HN 0.331 nan 8.240 nan 0.000 0.451 160 M N 5.455 125.040 119.600 -0.025 0.000 2.108 160 M HA 0.685 5.164 4.480 -0.001 0.000 0.354 160 M C -1.181 175.081 176.300 -0.064 0.000 1.229 160 M CA -0.321 54.936 55.300 -0.071 0.000 1.081 160 M CB 0.472 33.037 32.600 -0.058 0.000 1.606 160 M HN 0.494 nan 8.290 nan 0.000 0.467 161 V N 6.138 125.967 119.914 -0.143 0.000 3.120 161 V HA 0.674 4.793 4.120 -0.001 0.000 0.303 161 V C -2.406 173.572 176.094 -0.193 0.000 1.238 161 V CA -0.352 61.899 62.300 -0.081 0.000 1.008 161 V CB 2.658 34.463 31.823 -0.029 0.000 1.064 161 V HN 0.892 nan 8.190 nan 0.000 0.434 162 Y N 3.163 123.510 120.300 0.078 0.000 2.480 162 Y HA 0.569 5.119 4.550 -0.001 0.000 0.329 162 Y C -0.573 175.364 175.900 0.060 0.000 1.127 162 Y CA -1.162 56.994 58.100 0.093 0.000 1.037 162 Y CB 1.845 40.408 38.460 0.171 0.000 1.320 162 Y HN 0.966 nan 8.280 nan 0.000 0.446 163 D N -0.442 120.098 120.400 0.233 0.000 2.384 163 D HA 0.258 4.897 4.640 -0.001 0.000 0.250 163 D C 0.787 177.122 176.300 0.059 0.000 1.029 163 D CA -0.659 53.409 54.000 0.112 0.000 0.990 163 D CB 0.817 41.657 40.800 0.066 0.000 1.175 163 D HN 0.660 nan 8.370 nan 0.000 0.532 164 E N -0.114 120.095 120.200 0.013 0.000 2.209 164 E HA -0.266 4.084 4.350 -0.001 0.000 0.196 164 E C 0.348 176.907 176.600 -0.068 0.000 0.993 164 E CA 1.079 57.456 56.400 -0.039 0.000 0.819 164 E CB -0.216 29.466 29.700 -0.031 0.000 0.745 164 E HN 0.378 nan 8.360 nan 0.000 0.477 165 D N 1.295 121.668 120.400 -0.044 0.000 2.162 165 D HA -0.086 4.553 4.640 -0.001 0.000 0.203 165 D C 1.714 177.952 176.300 -0.104 0.000 0.967 165 D CA 0.998 54.960 54.000 -0.063 0.000 0.840 165 D CB -0.073 40.698 40.800 -0.047 0.000 0.972 165 D HN 0.393 nan 8.370 nan 0.000 0.482 166 E N 0.242 120.400 120.200 -0.070 0.000 2.072 166 E HA -0.082 4.267 4.350 -0.001 0.000 0.191 166 E C 2.234 178.715 176.600 -0.199 0.000 0.985 166 E CA 0.521 56.877 56.400 -0.073 0.000 0.801 166 E CB 0.024 29.817 29.700 0.154 0.000 0.750 166 E HN 0.307 nan 8.360 nan 0.000 0.452 167 I N 0.694 121.085 120.570 -0.298 0.000 2.252 167 I HA -0.225 3.945 4.170 -0.001 0.000 0.245 167 I C 2.708 178.540 176.117 -0.474 0.000 1.102 167 I CA 0.865 61.796 61.300 -0.615 0.000 1.385 167 I CB -0.205 37.417 38.000 -0.630 0.000 1.064 167 I HN -0.000 nan 8.210 nan 0.000 0.414 168 R N 1.722 122.052 120.500 -0.284 0.000 2.081 168 R HA -0.188 4.151 4.340 -0.001 0.000 0.235 168 R C 2.615 178.856 176.300 -0.099 0.000 1.131 168 R CA 1.675 57.649 56.100 -0.210 0.000 0.960 168 R CB -0.157 30.085 30.300 -0.097 0.000 0.856 168 R HN 0.398 nan 8.270 nan 0.000 0.436 169 R N -0.081 120.380 120.500 -0.065 0.000 2.075 169 R HA -0.120 4.220 4.340 -0.001 0.000 0.232 169 R C 2.125 178.518 176.300 0.155 0.000 1.126 169 R CA 1.577 57.696 56.100 0.031 0.000 0.963 169 R CB -0.856 29.280 30.300 -0.273 0.000 0.858 169 R HN 0.239 nan 8.270 nan 0.000 0.435 170 I N 1.637 122.241 120.570 0.058 0.000 2.394 170 I HA -0.071 4.099 4.170 -0.001 0.000 0.251 170 I C 2.280 178.419 176.117 0.036 0.000 1.136 170 I CA 1.089 62.477 61.300 0.146 0.000 1.425 170 I CB -0.128 37.940 38.000 0.114 0.000 1.079 170 I HN 0.339 nan 8.210 nan 0.000 0.425 171 A N -0.423 122.342 122.820 -0.090 0.000 1.898 171 A HA -0.225 4.095 4.320 -0.001 0.000 0.216 171 A C 2.257 179.900 177.584 0.098 0.000 1.181 171 A CA 1.657 53.657 52.037 -0.061 0.000 0.620 171 A CB -1.006 17.902 19.000 -0.154 0.000 0.819 171 A HN 0.552 nan 8.150 nan 0.000 0.442 172 H N -0.505 118.646 119.070 0.135 0.000 2.353 172 H HA -0.093 4.463 4.556 -0.001 0.000 0.300 172 H C 2.338 177.732 175.328 0.111 0.000 1.090 172 H CA 1.761 57.906 56.048 0.162 0.000 1.327 172 H CB -0.494 29.374 29.762 0.177 0.000 1.383 172 H HN 0.276 nan 8.280 nan 0.000 0.508 173 V N 1.038 121.086 119.914 0.223 0.000 2.295 173 V HA -0.257 3.863 4.120 -0.001 0.000 0.246 173 V C 2.812 178.928 176.094 0.037 0.000 1.049 173 V CA 1.689 64.062 62.300 0.123 0.000 1.024 173 V CB -1.020 30.857 31.823 0.090 0.000 0.648 173 V HN 0.472 nan 8.190 nan 0.000 0.447 174 A N -0.903 121.905 122.820 -0.019 0.000 1.930 174 A HA -0.154 4.166 4.320 -0.001 0.000 0.217 174 A C 2.024 179.460 177.584 -0.246 0.000 1.175 174 A CA 1.660 53.615 52.037 -0.136 0.000 0.627 174 A CB -0.648 18.233 19.000 -0.197 0.000 0.815 174 A HN 0.471 nan 8.150 nan 0.000 0.443 175 F N -0.359 119.397 119.950 -0.324 0.000 2.206 175 F HA -0.020 4.507 4.527 -0.001 0.000 0.298 175 F C 2.522 178.057 175.800 -0.443 0.000 1.090 175 F CA 1.479 59.106 58.000 -0.621 0.000 1.323 175 F CB -0.188 37.906 39.000 -1.511 0.000 1.028 175 F HN 0.074 nan 8.300 nan 0.000 0.492 176 R N -0.265 120.214 120.500 -0.036 0.000 2.115 176 R HA -0.065 4.274 4.340 -0.001 0.000 0.230 176 R C 2.381 178.737 176.300 0.093 0.000 1.111 176 R CA 1.058 57.250 56.100 0.152 0.000 0.976 176 R CB -0.567 29.857 30.300 0.207 0.000 0.870 176 R HN 0.248 nan 8.270 nan 0.000 0.445 177 A N 0.871 123.713 122.820 0.036 0.000 1.930 177 A HA -0.057 4.263 4.320 -0.001 0.000 0.217 177 A C 2.301 179.893 177.584 0.013 0.000 1.175 177 A CA 1.521 53.575 52.037 0.028 0.000 0.627 177 A CB -0.578 18.422 19.000 -0.001 0.000 0.815 177 A HN 0.379 nan 8.150 nan 0.000 0.443 178 A N -0.646 122.159 122.820 -0.025 0.000 1.902 178 A HA -0.206 4.114 4.320 -0.001 0.000 0.217 178 A C 2.110 179.715 177.584 0.035 0.000 1.181 178 A CA 1.601 53.625 52.037 -0.022 0.000 0.623 178 A CB -0.585 18.364 19.000 -0.085 0.000 0.818 178 A HN 0.633 nan 8.150 nan 0.000 0.443 179 Q N -0.984 118.864 119.800 0.081 0.000 2.135 179 Q HA -0.134 4.206 4.340 -0.001 0.000 0.204 179 Q C 1.822 177.870 176.000 0.080 0.000 0.981 179 Q CA 1.196 57.068 55.803 0.114 0.000 0.856 179 Q CB -0.354 28.495 28.738 0.185 0.000 0.902 179 Q HN 0.671 nan 8.270 nan 0.000 0.425 180 G N -0.475 108.367 108.800 0.071 0.000 3.181 180 G HA2 0.066 4.026 3.960 -0.001 0.000 0.219 180 G HA3 0.066 4.026 3.960 -0.001 0.000 0.219 180 G C 0.636 175.559 174.900 0.039 0.000 1.182 180 G CA -0.202 44.932 45.100 0.056 0.000 0.791 180 G HN 0.064 nan 8.290 nan 0.000 0.537 181 R N -1.123 119.397 120.500 0.033 0.000 2.642 181 R HA 0.429 4.769 4.340 -0.001 0.000 0.103 181 R C 1.018 177.328 176.300 0.017 0.000 1.144 181 R CA -0.655 55.457 56.100 0.021 0.000 0.955 181 R CB 0.369 30.678 30.300 0.015 0.000 0.817 181 R HN -0.049 nan 8.270 nan 0.000 0.381 182 R N 1.047 121.553 120.500 0.011 0.000 2.468 182 R HA 0.213 4.553 4.340 -0.001 0.000 0.280 182 R C -0.469 175.838 176.300 0.010 0.000 0.963 182 R CA 0.098 56.203 56.100 0.008 0.000 1.083 182 R CB 0.406 30.706 30.300 0.001 0.000 1.200 182 R HN 0.348 nan 8.270 nan 0.000 0.541 183 K N 0.742 121.153 120.400 0.018 0.000 3.129 183 K HA -0.232 4.087 4.320 -0.001 0.000 0.273 183 K C -0.808 175.798 176.600 0.010 0.000 1.123 183 K CA 0.895 57.200 56.287 0.030 0.000 0.800 183 K CB -1.342 31.185 32.500 0.045 0.000 1.238 183 K HN 0.352 nan 8.250 nan 0.000 0.492 184 Q N 0.589 120.379 119.800 -0.017 0.000 2.310 184 Q HA 0.565 4.905 4.340 -0.001 0.000 0.270 184 Q C -1.302 174.653 176.000 -0.074 0.000 1.025 184 Q CA -0.924 54.856 55.803 -0.039 0.000 0.772 184 Q CB 1.975 30.691 28.738 -0.036 0.000 1.253 184 Q HN 0.180 nan 8.270 nan 0.000 0.450 185 L N 2.048 123.196 121.223 -0.124 0.000 2.362 185 L HA 0.599 4.939 4.340 -0.001 0.000 0.275 185 L C -1.698 175.081 176.870 -0.151 0.000 0.998 185 L CA -0.629 54.089 54.840 -0.203 0.000 0.820 185 L CB 1.928 43.698 42.059 -0.482 0.000 1.270 185 L HN 0.827 nan 8.230 nan 0.000 0.415 186 C N 3.606 122.869 119.300 -0.063 0.000 2.293 186 C HA 0.689 5.149 4.460 -0.001 0.000 0.323 186 C C 0.127 175.137 174.990 0.033 0.000 1.240 186 C CA -0.462 58.561 59.018 0.007 0.000 1.497 186 C CB 0.124 27.972 27.740 0.181 0.000 2.171 186 C HN 0.883 nan 8.230 nan 0.000 0.465 187 S N 4.668 120.397 115.700 0.048 0.000 2.465 187 S HA 0.613 5.082 4.470 -0.001 0.000 0.279 187 S C -0.402 174.344 174.600 0.242 0.000 1.201 187 S CA -0.339 57.994 58.200 0.223 0.000 1.053 187 S CB 0.507 63.942 63.200 0.392 0.000 0.953 187 S HN 0.698 nan 8.310 nan 0.000 0.488 188 V N 5.905 125.922 119.914 0.173 0.000 2.427 188 V HA 0.551 4.671 4.120 -0.001 0.000 0.286 188 V C -0.147 176.002 176.094 0.090 0.000 1.034 188 V CA -0.471 61.893 62.300 0.107 0.000 0.893 188 V CB 1.397 33.241 31.823 0.036 0.000 0.982 188 V HN 1.048 nan 8.190 nan 0.000 0.452 189 D N 3.557 124.058 120.400 0.168 0.000 2.921 189 D HA 0.530 5.170 4.640 -0.001 0.000 0.329 189 D C -0.609 175.888 176.300 0.329 0.000 1.293 189 D CA -0.846 53.314 54.000 0.267 0.000 0.964 189 D CB 1.449 42.380 40.800 0.218 0.000 1.435 189 D HN 0.238 nan 8.370 nan 0.000 0.548 190 K N -1.028 119.574 120.400 0.337 0.000 3.320 190 K HA 0.618 4.938 4.320 -0.001 0.000 0.194 190 K C 0.430 177.083 176.600 0.089 0.000 1.085 190 K CA 0.177 56.548 56.287 0.139 0.000 0.901 190 K CB 0.258 32.843 32.500 0.142 0.000 0.765 190 K HN 0.495 nan 8.250 nan 0.000 0.480 191 A N 0.854 123.808 122.820 0.223 0.000 2.084 191 A HA -0.214 4.106 4.320 -0.001 0.000 0.221 191 A C 1.380 179.012 177.584 0.079 0.000 1.161 191 A CA 1.962 54.111 52.037 0.187 0.000 0.653 191 A CB -0.623 18.531 19.000 0.257 0.000 0.802 191 A HN 0.674 nan 8.150 nan 0.000 0.457 192 N N -0.850 117.806 118.700 -0.073 0.000 2.398 192 N HA 0.069 4.808 4.740 -0.001 0.000 0.188 192 N C 0.689 176.141 175.510 -0.098 0.000 1.122 192 N CA 1.247 54.234 53.050 -0.105 0.000 0.866 192 N CB 0.192 38.557 38.487 -0.204 0.000 0.970 192 N HN 0.292 nan 8.380 nan 0.000 0.462 193 V N -0.959 118.910 119.914 -0.075 0.000 3.177 193 V HA 0.245 4.364 4.120 -0.001 0.000 0.219 193 V C -0.195 175.904 176.094 0.008 0.000 1.344 193 V CA -0.060 62.217 62.300 -0.039 0.000 1.324 193 V CB 0.199 31.989 31.823 -0.054 0.000 1.165 193 V HN 0.003 nan 8.190 nan 0.000 0.510 194 L N 1.672 122.916 121.223 0.035 0.000 2.259 194 L HA 0.427 4.766 4.340 -0.001 0.000 0.288 194 L C 1.182 178.097 176.870 0.074 0.000 1.051 194 L CA 0.126 55.003 54.840 0.061 0.000 0.824 194 L CB 0.548 42.661 42.059 0.090 0.000 1.206 194 L HN 0.185 nan 8.230 nan 0.000 0.429 195 E N 0.816 121.054 120.200 0.063 0.000 2.097 195 E HA -0.201 4.148 4.350 -0.001 0.000 0.196 195 E C 1.664 178.325 176.600 0.100 0.000 1.000 195 E CA 1.967 58.410 56.400 0.072 0.000 0.804 195 E CB -0.067 29.667 29.700 0.057 0.000 0.740 195 E HN 0.708 nan 8.360 nan 0.000 0.454 196 T N -0.052 114.566 114.554 0.106 0.000 2.665 196 T HA -0.225 4.125 4.350 -0.001 0.000 0.268 196 T C 2.075 176.902 174.700 0.213 0.000 1.035 196 T CA 2.044 64.238 62.100 0.156 0.000 1.151 196 T CB -0.785 68.167 68.868 0.139 0.000 0.862 196 T HN 0.502 nan 8.240 nan 0.000 0.438 197 T N -0.025 114.630 114.554 0.169 0.000 3.118 197 T HA 0.067 4.416 4.350 -0.001 0.000 0.260 197 T C 1.820 176.658 174.700 0.230 0.000 1.139 197 T CA 0.510 62.725 62.100 0.192 0.000 1.085 197 T CB -0.113 68.832 68.868 0.130 0.000 0.934 197 T HN 0.331 nan 8.240 nan 0.000 0.518 198 R N -0.302 120.302 120.500 0.173 0.000 2.100 198 R HA 0.218 4.557 4.340 -0.001 0.000 0.220 198 R C 2.252 178.629 176.300 0.127 0.000 1.091 198 R CA 0.521 56.703 56.100 0.137 0.000 0.986 198 R CB -0.323 30.035 30.300 0.097 0.000 0.888 198 R HN 0.385 nan 8.270 nan 0.000 0.444 199 L N 0.628 121.935 121.223 0.140 0.000 2.093 199 L HA -0.153 4.186 4.340 -0.001 0.000 0.208 199 L C 1.957 178.895 176.870 0.114 0.000 1.085 199 L CA 1.593 56.497 54.840 0.106 0.000 0.755 199 L CB -0.678 41.448 42.059 0.111 0.000 0.904 199 L HN 0.356 nan 8.230 nan 0.000 0.435 200 W N 1.067 122.363 121.300 -0.006 0.000 2.335 200 W HA -0.283 4.376 4.660 -0.001 0.000 0.311 200 W C 2.661 179.166 176.519 -0.024 0.000 1.213 200 W CA 2.311 59.629 57.345 -0.044 0.000 1.274 200 W CB -0.403 29.028 29.460 -0.048 0.000 1.148 200 W HN 0.286 nan 8.180 nan 0.000 0.498 201 R N 0.696 121.358 120.500 0.271 0.000 2.081 201 R HA -0.192 4.147 4.340 -0.001 0.000 0.235 201 R C 2.220 178.490 176.300 -0.049 0.000 1.131 201 R CA 2.190 58.318 56.100 0.046 0.000 0.960 201 R CB -0.501 29.737 30.300 -0.105 0.000 0.856 201 R HN 0.209 nan 8.270 nan 0.000 0.436 202 E N -0.386 119.806 120.200 -0.014 0.000 2.072 202 E HA -0.146 4.203 4.350 -0.001 0.000 0.191 202 E C 1.970 178.553 176.600 -0.028 0.000 0.985 202 E CA 1.508 57.898 56.400 -0.016 0.000 0.801 202 E CB 0.100 29.800 29.700 0.001 0.000 0.750 202 E HN 0.161 nan 8.360 nan 0.000 0.452 203 V N 0.741 120.614 119.914 -0.069 0.000 2.453 203 V HA -0.185 3.935 4.120 -0.001 0.000 0.247 203 V C 2.249 178.268 176.094 -0.125 0.000 1.048 203 V CA 1.074 63.304 62.300 -0.116 0.000 1.049 203 V CB -0.164 31.552 31.823 -0.178 0.000 0.672 203 V HN 0.132 nan 8.190 nan 0.000 0.457 204 V N 0.062 119.904 119.914 -0.120 0.000 2.427 204 V HA -0.237 3.882 4.120 -0.001 0.000 0.248 204 V C 2.542 178.731 176.094 0.158 0.000 1.051 204 V CA 2.500 64.811 62.300 0.019 0.000 1.048 204 V CB -0.876 30.990 31.823 0.071 0.000 0.666 204 V HN 0.612 nan 8.190 nan 0.000 0.456 205 T N -0.516 114.129 114.554 0.152 0.000 2.867 205 T HA -0.163 4.187 4.350 -0.001 0.000 0.268 205 T C 1.772 176.502 174.700 0.048 0.000 1.057 205 T CA 1.419 63.617 62.100 0.164 0.000 1.136 205 T CB -0.133 68.826 68.868 0.152 0.000 0.874 205 T HN 0.594 nan 8.240 nan 0.000 0.466 206 E N 0.473 120.670 120.200 -0.005 0.000 2.072 206 E HA -0.049 4.301 4.350 -0.001 0.000 0.190 206 E C 2.263 178.808 176.600 -0.091 0.000 0.982 206 E CA 0.739 57.114 56.400 -0.040 0.000 0.803 206 E CB -0.095 29.578 29.700 -0.046 0.000 0.755 206 E HN 0.223 nan 8.360 nan 0.000 0.453 207 V N 1.310 121.134 119.914 -0.150 0.000 2.759 207 V HA -0.190 3.929 4.120 -0.001 0.000 0.256 207 V C 2.181 178.010 176.094 -0.442 0.000 1.080 207 V CA 1.460 63.594 62.300 -0.277 0.000 1.101 207 V CB -0.565 31.018 31.823 -0.399 0.000 0.698 207 V HN 0.288 nan 8.190 nan 0.000 0.477 208 A N 0.373 122.955 122.820 -0.397 0.000 2.125 208 A HA -0.188 4.132 4.320 -0.001 0.000 0.219 208 A C 2.338 179.822 177.584 -0.166 0.000 1.156 208 A CA 1.344 53.143 52.037 -0.397 0.000 0.671 208 A CB -0.437 18.584 19.000 0.035 0.000 0.794 208 A HN 0.559 nan 8.150 nan 0.000 0.459 209 R N -0.279 120.147 120.500 -0.122 0.000 2.148 209 R HA -0.066 4.273 4.340 -0.001 0.000 0.227 209 R C 0.690 176.920 176.300 -0.117 0.000 1.103 209 R CA 1.207 57.260 56.100 -0.080 0.000 0.983 209 R CB -0.220 30.043 30.300 -0.062 0.000 0.874 209 R HN 0.371 nan 8.270 nan 0.000 0.451 210 D N -0.736 119.558 120.400 -0.178 0.000 2.347 210 D HA -0.056 4.583 4.640 -0.001 0.000 0.215 210 D C -0.324 175.624 176.300 -0.588 0.000 0.976 210 D CA 0.998 54.792 54.000 -0.344 0.000 0.884 210 D CB 0.250 40.830 40.800 -0.367 0.000 0.915 210 D HN 0.235 nan 8.370 nan 0.000 0.526 211 Y N -0.124 120.060 120.300 -0.193 0.000 2.658 211 Y HA 0.242 4.792 4.550 -0.001 0.000 0.362 211 Y C -1.647 174.235 175.900 -0.029 0.000 1.017 211 Y CA -1.966 56.081 58.100 -0.088 0.000 1.134 211 Y CB 1.284 39.702 38.460 -0.069 0.000 1.144 211 Y HN -0.101 nan 8.280 nan 0.000 0.655 212 P HA -0.161 nan 4.420 nan 0.000 0.225 212 P C 0.591 177.937 177.300 0.076 0.000 1.148 212 P CA 1.488 64.617 63.100 0.049 0.000 0.779 212 P CB 0.433 32.138 31.700 0.007 0.000 0.780 213 D N 0.253 120.714 120.400 0.103 0.000 2.355 213 D HA -0.016 4.623 4.640 -0.001 0.000 0.218 213 D C 0.900 177.272 176.300 0.121 0.000 1.004 213 D CA 0.171 54.230 54.000 0.098 0.000 0.880 213 D CB -0.505 40.349 40.800 0.090 0.000 0.911 213 D HN 0.139 nan 8.370 nan 0.000 0.528 214 V N -2.129 117.891 119.914 0.177 0.000 2.547 214 V HA 0.484 4.603 4.120 -0.001 0.000 0.299 214 V C 0.010 176.185 176.094 0.136 0.000 1.040 214 V CA -1.219 61.181 62.300 0.167 0.000 0.913 214 V CB 2.282 34.254 31.823 0.247 0.000 0.992 214 V HN -0.081 nan 8.190 nan 0.000 0.449 215 R N 3.708 124.248 120.500 0.067 0.000 2.196 215 R HA 0.455 4.794 4.340 -0.001 0.000 0.340 215 R C -1.106 175.194 176.300 -0.001 0.000 1.043 215 R CA -0.586 55.533 56.100 0.031 0.000 0.883 215 R CB 1.056 31.356 30.300 -0.000 0.000 1.078 215 R HN 0.866 nan 8.270 nan 0.000 0.462 216 L N 3.106 124.337 121.223 0.013 0.000 2.312 216 L HA 0.386 4.725 4.340 -0.001 0.000 0.281 216 L C -0.991 175.771 176.870 -0.179 0.000 1.070 216 L CA 0.442 55.238 54.840 -0.073 0.000 0.805 216 L CB 1.814 43.891 42.059 0.028 0.000 1.174 216 L HN 0.537 nan 8.230 nan 0.000 0.434 217 S N 3.039 118.575 115.700 -0.274 0.000 2.546 217 S HA 0.613 5.082 4.470 -0.001 0.000 0.274 217 S C -1.353 173.028 174.600 -0.365 0.000 1.121 217 S CA -0.653 57.386 58.200 -0.269 0.000 0.887 217 S CB 1.278 64.395 63.200 -0.139 0.000 1.094 217 S HN 0.619 nan 8.310 nan 0.000 0.474 218 H N 1.627 120.689 119.070 -0.015 0.000 2.492 218 H HA 0.643 5.199 4.556 -0.000 0.000 0.345 218 H C -0.580 174.686 175.328 -0.104 0.000 1.136 218 H CA -0.530 55.505 56.048 -0.022 0.000 1.202 218 H CB 1.753 31.504 29.762 -0.018 0.000 1.524 218 H HN 0.499 nan 8.280 nan 0.000 0.506 219 M N 2.166 121.782 119.600 0.027 0.000 2.470 219 M HA 0.268 4.748 4.480 -0.001 0.000 0.285 219 M C -1.615 174.654 176.300 -0.050 0.000 1.213 219 M CA -0.843 54.408 55.300 -0.081 0.000 0.901 219 M CB 2.168 34.790 32.600 0.036 0.000 1.718 219 M HN 0.344 nan 8.290 nan 0.000 0.469 220 Y N 1.938 122.256 120.300 0.030 0.000 2.346 220 Y HA 0.141 4.691 4.550 0.000 0.000 0.330 220 Y C 1.033 176.869 175.900 -0.106 0.000 1.178 220 Y CA -0.152 57.930 58.100 -0.030 0.000 1.331 220 Y CB 0.877 39.321 38.460 -0.026 0.000 1.253 220 Y HN 0.550 nan 8.280 nan 0.000 0.529 221 V N 2.636 122.501 119.914 -0.081 0.000 2.380 221 V HA -0.300 3.820 4.120 -0.001 0.000 0.251 221 V C 1.605 177.570 176.094 -0.215 0.000 1.063 221 V CA 2.745 64.844 62.300 -0.335 0.000 1.055 221 V CB -0.340 30.864 31.823 -1.031 0.000 0.657 221 V HN 0.987 nan 8.190 nan 0.000 0.455 222 D N -0.639 119.678 120.400 -0.138 0.000 2.097 222 D HA -0.241 4.399 4.640 -0.001 0.000 0.197 222 D C 2.037 178.325 176.300 -0.019 0.000 0.984 222 D CA 1.992 55.944 54.000 -0.081 0.000 0.826 222 D CB -1.206 39.558 40.800 -0.059 0.000 0.973 222 D HN 0.661 nan 8.370 nan 0.000 0.460 223 N N 0.670 119.391 118.700 0.035 0.000 2.166 223 N HA -0.151 4.589 4.740 -0.001 0.000 0.186 223 N C 1.888 177.433 175.510 0.059 0.000 1.019 223 N CA 1.215 54.298 53.050 0.056 0.000 0.856 223 N CB -0.081 38.457 38.487 0.085 0.000 0.993 223 N HN 0.205 nan 8.380 nan 0.000 0.426 224 A N 0.775 123.624 122.820 0.048 0.000 2.019 224 A HA 0.010 4.330 4.320 -0.001 0.000 0.219 224 A C 2.255 179.843 177.584 0.006 0.000 1.164 224 A CA 1.532 53.610 52.037 0.069 0.000 0.644 224 A CB -0.685 18.312 19.000 -0.005 0.000 0.805 224 A HN 0.494 nan 8.150 nan 0.000 0.449 225 A N -0.765 122.037 122.820 -0.031 0.000 2.015 225 A HA 0.007 4.327 4.320 -0.001 0.000 0.219 225 A C 2.160 179.744 177.584 -0.000 0.000 1.163 225 A CA 1.540 53.553 52.037 -0.040 0.000 0.646 225 A CB -0.430 18.536 19.000 -0.055 0.000 0.806 225 A HN 0.551 nan 8.150 nan 0.000 0.448 226 M N -1.390 118.225 119.600 0.026 0.000 2.325 226 M HA -0.067 4.413 4.480 -0.001 0.000 0.265 226 M C 2.150 178.494 176.300 0.073 0.000 1.094 226 M CA 0.740 56.063 55.300 0.038 0.000 1.161 226 M CB -0.262 32.358 32.600 0.033 0.000 1.358 226 M HN 0.264 nan 8.290 nan 0.000 0.446 227 Q N 0.826 120.701 119.800 0.126 0.000 2.167 227 Q HA -0.033 4.307 4.340 -0.001 0.000 0.202 227 Q C 2.099 178.288 176.000 0.315 0.000 0.970 227 Q CA 1.297 57.223 55.803 0.205 0.000 0.855 227 Q CB -0.556 28.349 28.738 0.277 0.000 0.911 227 Q HN 0.551 nan 8.270 nan 0.000 0.438 228 L N -0.106 121.264 121.223 0.245 0.000 2.131 228 L HA -0.168 4.171 4.340 -0.001 0.000 0.210 228 L C 2.174 179.105 176.870 0.101 0.000 1.092 228 L CA 0.944 55.864 54.840 0.133 0.000 0.759 228 L CB -0.245 41.766 42.059 -0.081 0.000 0.903 228 L HN 0.181 nan 8.230 nan 0.000 0.435 229 I N -1.537 119.077 120.570 0.073 0.000 2.494 229 I HA -0.147 4.022 4.170 -0.001 0.000 0.250 229 I C 2.697 178.844 176.117 0.051 0.000 1.112 229 I CA 0.492 61.821 61.300 0.048 0.000 1.438 229 I CB -0.262 37.755 38.000 0.029 0.000 1.111 229 I HN 0.136 nan 8.210 nan 0.000 0.431 230 R N 1.679 122.213 120.500 0.056 0.000 2.075 230 R HA -0.005 4.335 4.340 -0.001 0.000 0.232 230 R C 0.494 176.815 176.300 0.035 0.000 1.126 230 R CA 1.511 57.635 56.100 0.039 0.000 0.963 230 R CB 0.139 30.458 30.300 0.032 0.000 0.858 230 R HN 0.330 nan 8.270 nan 0.000 0.435 231 A N 0.361 123.213 122.820 0.053 0.000 3.277 231 A HA 0.292 4.611 4.320 -0.001 0.000 0.281 231 A C -2.180 175.444 177.584 0.067 0.000 1.179 231 A CA -1.016 51.037 52.037 0.026 0.000 0.879 231 A CB 1.120 20.104 19.000 -0.028 0.000 1.374 231 A HN 0.129 nan 8.150 nan 0.000 0.590 232 P HA -0.205 nan 4.420 nan 0.000 0.217 232 P C 1.421 178.831 177.300 0.183 0.000 1.148 232 P CA 1.841 65.075 63.100 0.224 0.000 0.828 232 P CB 0.191 31.967 31.700 0.127 0.000 0.783 233 A N 0.661 123.521 122.820 0.067 0.000 2.216 233 A HA -0.173 4.147 4.320 -0.001 0.000 0.214 233 A C 2.262 179.829 177.584 -0.028 0.000 1.160 233 A CA 1.124 53.177 52.037 0.026 0.000 0.725 233 A CB -1.202 17.800 19.000 0.003 0.000 0.784 233 A HN 0.438 nan 8.150 nan 0.000 0.472 234 Q N -1.671 118.060 119.800 -0.116 0.000 2.378 234 Q HA 0.076 4.415 4.340 -0.001 0.000 0.205 234 Q C -0.383 175.391 176.000 -0.377 0.000 0.954 234 Q CA 0.209 55.839 55.803 -0.289 0.000 0.901 234 Q CB -0.232 28.232 28.738 -0.458 0.000 0.981 234 Q HN 0.477 nan 8.270 nan 0.000 0.483 235 F N 1.144 121.076 119.950 -0.031 0.000 2.385 235 F HA 0.256 4.782 4.527 -0.001 0.000 0.336 235 F C 0.742 176.520 175.800 -0.037 0.000 1.100 235 F CA -0.785 57.193 58.000 -0.036 0.000 1.116 235 F CB 1.450 40.430 39.000 -0.034 0.000 1.166 235 F HN -0.020 nan 8.300 nan 0.000 0.511 236 D N 0.690 121.180 120.400 0.151 0.000 3.061 236 D HA 0.158 4.797 4.640 -0.001 0.000 0.243 236 D C -0.742 175.592 176.300 0.057 0.000 1.572 236 D CA 0.618 54.658 54.000 0.066 0.000 1.269 236 D CB 0.273 41.084 40.800 0.017 0.000 1.023 236 D HN 0.094 nan 8.370 nan 0.000 0.280 237 V N 2.254 122.182 119.914 0.024 0.000 2.398 237 V HA 0.424 4.543 4.120 -0.001 0.000 0.286 237 V C -0.222 175.871 176.094 -0.002 0.000 1.026 237 V CA -0.720 61.571 62.300 -0.016 0.000 0.868 237 V CB 1.521 33.297 31.823 -0.077 0.000 0.982 237 V HN 0.305 nan 8.190 nan 0.000 0.443 238 L N 6.156 127.369 121.223 -0.017 0.000 2.316 238 L HA 0.610 4.950 4.340 -0.001 0.000 0.280 238 L C -0.935 175.923 176.870 -0.021 0.000 1.006 238 L CA -0.671 54.156 54.840 -0.023 0.000 0.836 238 L CB 1.343 43.323 42.059 -0.132 0.000 1.221 238 L HN 0.617 nan 8.230 nan 0.000 0.418 239 L N 5.310 126.542 121.223 0.014 0.000 2.289 239 L HA 0.746 5.086 4.340 -0.001 0.000 0.285 239 L C -0.316 176.661 176.870 0.180 0.000 1.049 239 L CA 0.650 55.547 54.840 0.094 0.000 0.804 239 L CB 1.745 43.851 42.059 0.077 0.000 1.195 239 L HN 0.682 nan 8.230 nan 0.000 0.428 240 T N 2.210 116.865 114.554 0.168 0.000 2.718 240 T HA 0.613 4.963 4.350 -0.001 0.000 0.306 240 T C -0.131 174.399 174.700 -0.283 0.000 1.485 240 T CA -0.085 61.957 62.100 -0.096 0.000 0.997 240 T CB 0.608 69.443 68.868 -0.055 0.000 1.504 240 T HN 0.953 nan 8.240 nan 0.000 0.497 241 G N 1.205 109.541 108.800 -0.774 0.000 2.611 241 G HA2 0.199 4.159 3.960 -0.001 0.000 0.273 241 G HA3 0.199 4.159 3.960 -0.001 0.000 0.273 241 G C 1.000 175.785 174.900 -0.192 0.000 1.305 241 G CA -0.073 44.717 45.100 -0.517 0.000 1.010 241 G HN 0.688 nan 8.290 nan 0.000 0.509 242 N N -0.758 117.874 118.700 -0.113 0.000 2.039 242 N HA -0.146 4.593 4.740 -0.001 0.000 0.193 242 N C 2.314 177.582 175.510 -0.403 0.000 1.044 242 N CA 1.813 54.673 53.050 -0.316 0.000 0.847 242 N CB -0.340 37.874 38.487 -0.455 0.000 1.030 242 N HN 0.497 nan 8.380 nan 0.000 0.422 243 M N -0.242 119.184 119.600 -0.290 0.000 2.065 243 M HA -0.110 4.369 4.480 -0.001 0.000 0.259 243 M C 1.622 177.982 176.300 0.100 0.000 1.071 243 M CA 1.575 56.852 55.300 -0.038 0.000 1.109 243 M CB -0.423 32.140 32.600 -0.062 0.000 1.313 243 M HN 0.008 nan 8.290 nan 0.000 0.408 244 F N 0.256 120.151 119.950 -0.092 0.000 2.171 244 F HA 0.085 4.612 4.527 -0.001 0.000 0.300 244 F C 2.538 178.276 175.800 -0.103 0.000 1.090 244 F CA 0.981 58.921 58.000 -0.100 0.000 1.293 244 F CB -2.043 36.867 39.000 -0.151 0.000 1.013 244 F HN 0.328 nan 8.300 nan 0.000 0.486 245 G N -0.483 108.352 108.800 0.059 0.000 2.422 245 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.218 245 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.218 245 G C 1.406 176.301 174.900 -0.008 0.000 1.146 245 G CA 1.113 46.210 45.100 -0.006 0.000 0.769 245 G HN 0.337 nan 8.290 nan 0.000 0.547 246 D N 0.560 120.958 120.400 -0.003 0.000 2.104 246 D HA -0.104 4.535 4.640 -0.001 0.000 0.194 246 D C 2.481 178.805 176.300 0.039 0.000 0.994 246 D CA 0.925 54.942 54.000 0.029 0.000 0.830 246 D CB -0.203 40.655 40.800 0.095 0.000 0.959 246 D HN 0.383 nan 8.370 nan 0.000 0.452 247 I N -0.051 120.552 120.570 0.055 0.000 2.133 247 I HA -0.210 3.960 4.170 -0.001 0.000 0.238 247 I C 2.408 178.521 176.117 -0.006 0.000 1.074 247 I CA 0.702 62.021 61.300 0.032 0.000 1.342 247 I CB -0.304 37.721 38.000 0.042 0.000 1.053 247 I HN 0.067 nan 8.210 nan 0.000 0.404 248 L N -0.282 120.926 121.223 -0.025 0.000 2.265 248 L HA -0.170 4.169 4.340 -0.001 0.000 0.215 248 L C 2.611 179.435 176.870 -0.077 0.000 1.117 248 L CA 0.801 55.597 54.840 -0.074 0.000 0.782 248 L CB -0.563 41.431 42.059 -0.109 0.000 0.914 248 L HN 0.223 nan 8.230 nan 0.000 0.441 249 S N -0.287 115.385 115.700 -0.047 0.000 2.371 249 S HA -0.153 4.317 4.470 -0.001 0.000 0.224 249 S C 1.503 176.087 174.600 -0.025 0.000 1.029 249 S CA 1.107 59.281 58.200 -0.042 0.000 0.978 249 S CB -0.026 63.157 63.200 -0.028 0.000 0.833 249 S HN 0.389 nan 8.310 nan 0.000 0.466 250 D N 0.952 121.346 120.400 -0.011 0.000 2.178 250 D HA -0.046 4.594 4.640 -0.001 0.000 0.202 250 D C 1.950 178.247 176.300 -0.006 0.000 0.974 250 D CA 0.749 54.751 54.000 0.002 0.000 0.841 250 D CB -0.115 40.693 40.800 0.014 0.000 0.953 250 D HN 0.518 nan 8.370 nan 0.000 0.478 251 E N -0.090 120.097 120.200 -0.023 0.000 2.072 251 E HA -0.113 4.237 4.350 -0.001 0.000 0.190 251 E C 1.970 178.550 176.600 -0.034 0.000 0.982 251 E CA 0.809 57.191 56.400 -0.029 0.000 0.803 251 E CB 0.030 29.702 29.700 -0.047 0.000 0.755 251 E HN 0.186 nan 8.360 nan 0.000 0.453 252 A N 0.482 123.269 122.820 -0.056 0.000 1.933 252 A HA -0.161 4.159 4.320 -0.001 0.000 0.218 252 A C 2.342 179.914 177.584 -0.019 0.000 1.175 252 A CA 1.792 53.795 52.037 -0.057 0.000 0.628 252 A CB -0.504 18.443 19.000 -0.088 0.000 0.814 252 A HN 0.242 nan 8.150 nan 0.000 0.444 253 S N -0.776 114.920 115.700 -0.007 0.000 2.368 253 S HA -0.174 4.296 4.470 -0.001 0.000 0.225 253 S C 2.138 176.754 174.600 0.026 0.000 1.030 253 S CA 1.589 59.799 58.200 0.017 0.000 0.999 253 S CB -0.259 62.957 63.200 0.026 0.000 0.844 253 S HN 0.669 nan 8.310 nan 0.000 0.459 254 Q N 1.620 121.431 119.800 0.019 0.000 2.119 254 Q HA -0.040 4.300 4.340 -0.001 0.000 0.201 254 Q C 1.928 177.941 176.000 0.022 0.000 0.972 254 Q CA 1.153 56.969 55.803 0.022 0.000 0.847 254 Q CB -0.588 28.159 28.738 0.016 0.000 0.903 254 Q HN 0.616 nan 8.270 nan 0.000 0.433 255 L N -0.943 120.290 121.223 0.016 0.000 2.456 255 L HA 0.104 4.443 4.340 -0.001 0.000 0.224 255 L C 1.803 178.688 176.870 0.026 0.000 1.148 255 L CA 1.814 56.665 54.840 0.019 0.000 0.825 255 L CB -1.439 40.628 42.059 0.015 0.000 0.937 255 L HN 0.200 nan 8.230 nan 0.000 0.450 256 T N -4.315 110.257 114.554 0.031 0.000 3.014 256 T HA 0.400 4.749 4.350 -0.001 0.000 0.263 256 T C 1.740 176.473 174.700 0.054 0.000 1.078 256 T CA 0.707 62.832 62.100 0.042 0.000 1.135 256 T CB -0.104 68.794 68.868 0.050 0.000 0.895 256 T HN 0.695 nan 8.240 nan 0.000 0.480 257 G N 0.891 109.720 108.800 0.048 0.000 2.383 257 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.229 257 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.229 257 G C 0.430 175.361 174.900 0.053 0.000 1.089 257 G CA 0.099 45.227 45.100 0.047 0.000 0.640 257 G HN 0.783 nan 8.290 nan 0.000 0.510 258 S N 0.679 116.423 115.700 0.073 0.000 2.474 258 S HA 0.572 5.042 4.470 -0.001 0.000 0.320 258 S C 1.072 175.727 174.600 0.091 0.000 1.067 258 S CA -0.184 58.061 58.200 0.076 0.000 1.127 258 S CB 1.446 64.699 63.200 0.089 0.000 0.971 258 S HN 0.451 nan 8.310 nan 0.000 0.472 259 I N 2.802 123.421 120.570 0.082 0.000 2.546 259 I HA -0.041 4.129 4.170 -0.001 0.000 0.255 259 I C 2.020 178.238 176.117 0.168 0.000 1.163 259 I CA 0.805 62.172 61.300 0.111 0.000 1.457 259 I CB -0.089 37.973 38.000 0.103 0.000 1.092 259 I HN 0.771 nan 8.210 nan 0.000 0.434 260 G N 0.414 109.288 108.800 0.124 0.000 2.776 260 G HA2 -0.107 3.853 3.960 -0.001 0.000 0.209 260 G HA3 -0.107 3.853 3.960 -0.001 0.000 0.209 260 G C 1.264 176.262 174.900 0.162 0.000 1.145 260 G CA 0.093 45.283 45.100 0.151 0.000 0.791 260 G HN 0.259 nan 8.290 nan 0.000 0.530 261 M N -0.103 119.583 119.600 0.143 0.000 2.337 261 M HA 0.364 4.843 4.480 -0.001 0.000 0.256 261 M C 0.298 176.718 176.300 0.199 0.000 1.075 261 M CA 0.129 55.517 55.300 0.148 0.000 1.024 261 M CB 0.136 32.839 32.600 0.171 0.000 1.429 261 M HN -0.011 nan 8.290 nan 0.000 0.497 262 L N 3.901 125.222 121.223 0.164 0.000 2.278 262 L HA 0.305 4.644 4.340 -0.001 0.000 0.287 262 L C -2.033 174.885 176.870 0.080 0.000 1.072 262 L CA -1.402 53.512 54.840 0.123 0.000 0.819 262 L CB 0.481 42.596 42.059 0.094 0.000 1.176 262 L HN -0.085 nan 8.230 nan 0.000 0.435 263 P HA 0.422 nan 4.420 nan 0.000 0.284 263 P C -1.143 176.192 177.300 0.058 0.000 1.287 263 P CA -0.567 62.576 63.100 0.072 0.000 0.824 263 P CB 2.110 33.873 31.700 0.106 0.000 1.180 264 S N -1.459 114.282 115.700 0.068 0.000 2.547 264 S HA 0.768 5.237 4.470 -0.001 0.000 0.270 264 S C -1.595 173.034 174.600 0.048 0.000 1.150 264 S CA -0.819 57.402 58.200 0.036 0.000 0.850 264 S CB 1.106 64.300 63.200 -0.011 0.000 1.118 264 S HN 0.667 nan 8.310 nan 0.000 0.461 265 A N 1.323 124.115 122.820 -0.046 0.000 2.371 265 A HA 0.854 5.173 4.320 -0.001 0.000 0.311 265 A C -0.476 176.925 177.584 -0.305 0.000 1.068 265 A CA -0.782 51.119 52.037 -0.227 0.000 0.744 265 A CB 1.798 20.711 19.000 -0.145 0.000 1.239 265 A HN 0.962 nan 8.150 nan 0.000 0.435 266 S N 2.114 117.560 115.700 -0.424 0.000 2.667 266 S HA 0.515 4.985 4.470 -0.001 0.000 0.304 266 S C -0.541 173.839 174.600 -0.365 0.000 1.135 266 S CA -0.349 57.663 58.200 -0.314 0.000 1.125 266 S CB 0.094 63.157 63.200 -0.228 0.000 0.996 266 S HN 0.551 nan 8.310 nan 0.000 0.474 267 L N 2.526 123.528 121.223 -0.368 0.000 2.322 267 L HA 0.879 5.219 4.340 -0.001 0.000 0.279 267 L C 0.791 177.380 176.870 -0.468 0.000 1.036 267 L CA -0.603 54.020 54.840 -0.363 0.000 0.807 267 L CB 1.484 43.346 42.059 -0.328 0.000 1.226 267 L HN 0.704 nan 8.230 nan 0.000 0.433 268 G N 0.630 109.257 108.800 -0.289 0.000 3.086 268 G HA2 0.361 4.321 3.960 -0.001 0.000 0.282 268 G HA3 0.361 4.321 3.960 -0.001 0.000 0.282 268 G C -1.162 173.734 174.900 -0.007 0.000 1.343 268 G CA -0.400 44.596 45.100 -0.174 0.000 0.895 268 G HN 0.385 nan 8.290 nan 0.000 0.557 269 E N 0.703 120.971 120.200 0.114 0.000 2.029 269 E HA 0.382 4.732 4.350 -0.001 0.000 0.276 269 E C 1.057 177.689 176.600 0.054 0.000 1.163 269 E CA 0.846 57.303 56.400 0.095 0.000 0.909 269 E CB 0.476 30.240 29.700 0.107 0.000 1.046 269 E HN 1.253 nan 8.360 nan 0.000 0.406 270 G N 4.135 112.961 108.800 0.045 0.000 2.155 270 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.257 270 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.257 270 G C 0.400 175.324 174.900 0.039 0.000 0.983 270 G CA 0.600 45.725 45.100 0.042 0.000 0.676 270 G HN 0.471 nan 8.290 nan 0.000 0.528 271 R N -1.018 119.497 120.500 0.026 0.000 2.817 271 R HA 0.867 5.206 4.340 -0.001 0.000 0.268 271 R C -0.604 175.686 176.300 -0.016 0.000 1.027 271 R CA -0.306 55.806 56.100 0.021 0.000 0.928 271 R CB 1.894 32.200 30.300 0.011 0.000 1.228 271 R HN 1.215 nan 8.270 nan 0.000 0.469 272 A N 1.147 123.952 122.820 -0.026 0.000 2.590 272 A HA 0.542 4.861 4.320 -0.001 0.000 0.296 272 A C -1.766 175.691 177.584 -0.212 0.000 1.050 272 A CA -0.622 51.314 52.037 -0.170 0.000 0.697 272 A CB 1.822 20.747 19.000 -0.125 0.000 1.277 272 A HN 0.661 nan 8.150 nan 0.000 0.411 273 M N 1.648 120.988 119.600 -0.433 0.000 2.395 273 M HA 0.779 5.258 4.480 -0.001 0.000 0.307 273 M C -2.189 173.799 176.300 -0.520 0.000 1.091 273 M CA -0.423 54.713 55.300 -0.273 0.000 0.919 273 M CB 1.582 34.113 32.600 -0.115 0.000 1.662 273 M HN 0.683 nan 8.290 nan 0.000 0.440 274 Y N 2.490 122.804 120.300 0.024 0.000 2.376 274 Y HA 0.595 5.144 4.550 -0.001 0.000 0.340 274 Y C -0.478 175.429 175.900 0.012 0.000 0.965 274 Y CA -0.604 57.505 58.100 0.015 0.000 1.078 274 Y CB 1.505 39.983 38.460 0.029 0.000 1.193 274 Y HN 0.640 nan 8.280 nan 0.000 0.452 275 E N 3.594 123.854 120.200 0.099 0.000 2.412 275 E HA 0.580 4.930 4.350 -0.001 0.000 0.279 275 E C -3.380 173.205 176.600 -0.025 0.000 0.984 275 E CA -2.589 53.830 56.400 0.032 0.000 0.788 275 E CB 3.133 32.831 29.700 -0.002 0.000 1.277 275 E HN 0.163 nan 8.360 nan 0.000 0.455 276 P HA 0.174 nan 4.420 nan 0.000 0.279 276 P C 0.433 177.569 177.300 -0.273 0.000 1.252 276 P CA -0.504 62.438 63.100 -0.264 0.000 0.811 276 P CB 0.931 32.275 31.700 -0.593 0.000 1.035 277 I N -1.698 118.749 120.570 -0.205 0.000 3.928 277 I HA 0.161 4.330 4.170 -0.001 0.000 0.335 277 I C 1.398 177.497 176.117 -0.029 0.000 1.325 277 I CA 0.277 61.522 61.300 -0.091 0.000 1.107 277 I CB -1.488 36.498 38.000 -0.023 0.000 1.014 277 I HN 0.255 nan 8.210 nan 0.000 0.400 278 H N 0.225 119.318 119.070 0.038 0.000 2.548 278 H HA 0.602 5.158 4.556 -0.001 0.000 0.265 278 H C 1.004 176.353 175.328 0.034 0.000 0.969 278 H CA -0.454 55.615 56.048 0.035 0.000 1.155 278 H CB -0.863 28.920 29.762 0.035 0.000 1.394 278 H HN 0.434 nan 8.280 nan 0.000 0.570 279 G N -0.007 108.948 108.800 0.258 0.000 2.795 279 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.664 279 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.664 279 G C 0.875 175.930 174.900 0.259 0.000 1.381 279 G CA 0.179 45.402 45.100 0.205 0.000 0.853 279 G HN 0.895 nan 8.290 nan 0.000 0.545 280 S N -0.164 115.629 115.700 0.154 0.000 2.603 280 S HA 0.467 4.936 4.470 -0.001 0.000 0.220 280 S C 1.784 176.443 174.600 0.099 0.000 0.967 280 S CA 1.384 59.665 58.200 0.136 0.000 0.920 280 S CB -0.128 63.147 63.200 0.125 0.000 0.773 280 S HN 2.626 nan 8.310 nan 0.000 0.529 281 A N 2.494 125.358 122.820 0.074 0.000 1.991 281 A HA -0.107 4.212 4.320 -0.001 0.000 0.257 281 A C -0.779 176.828 177.584 0.038 0.000 1.283 281 A CA 0.594 52.651 52.037 0.034 0.000 0.762 281 A CB -1.634 17.356 19.000 -0.017 0.000 1.135 281 A HN 0.513 nan 8.150 nan 0.000 0.321 282 P HA -0.205 nan 4.420 nan 0.000 0.216 282 P C 1.250 178.564 177.300 0.025 0.000 1.150 282 P CA 1.461 64.592 63.100 0.051 0.000 0.843 282 P CB -0.032 31.701 31.700 0.055 0.000 0.787 283 D N 0.142 120.551 120.400 0.014 0.000 2.351 283 D HA -0.151 4.488 4.640 -0.001 0.000 0.216 283 D C 1.358 177.659 176.300 0.001 0.000 0.968 283 D CA 0.994 54.996 54.000 0.004 0.000 0.899 283 D CB -0.639 40.162 40.800 0.001 0.000 0.907 283 D HN 0.353 nan 8.370 nan 0.000 0.514 284 I N -4.134 116.438 120.570 0.003 0.000 4.102 284 I HA 0.473 4.642 4.170 -0.001 0.000 0.325 284 I C 0.458 176.579 176.117 0.005 0.000 1.471 284 I CA -0.864 60.435 61.300 -0.002 0.000 1.133 284 I CB 0.380 38.372 38.000 -0.013 0.000 1.184 284 I HN -0.130 nan 8.210 nan 0.000 0.451 285 A N 1.798 124.628 122.820 0.017 0.000 2.524 285 A HA 0.456 4.776 4.320 -0.001 0.000 0.250 285 A C 1.564 179.162 177.584 0.024 0.000 1.078 285 A CA 0.860 52.915 52.037 0.029 0.000 0.761 285 A CB -0.599 18.430 19.000 0.048 0.000 1.012 285 A HN 1.235 nan 8.150 nan 0.000 0.500 286 G N 1.737 110.551 108.800 0.024 0.000 2.184 286 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.264 286 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.264 286 G C 0.574 175.481 174.900 0.012 0.000 0.975 286 G CA 0.827 45.939 45.100 0.020 0.000 0.642 286 G HN 0.827 nan 8.290 nan 0.000 0.536 287 Q N -0.387 119.417 119.800 0.008 0.000 2.320 287 Q HA 0.325 4.664 4.340 -0.001 0.000 0.201 287 Q C 1.067 177.067 176.000 0.000 0.000 0.910 287 Q CA 0.376 56.180 55.803 0.003 0.000 0.946 287 Q CB 0.320 29.058 28.738 -0.001 0.000 1.062 287 Q HN 0.515 nan 8.270 nan 0.000 0.503 288 D N 0.156 120.557 120.400 0.002 0.000 2.811 288 D HA -0.221 4.418 4.640 -0.001 0.000 0.231 288 D C 0.371 176.667 176.300 -0.006 0.000 1.157 288 D CA 1.163 55.163 54.000 0.000 0.000 0.716 288 D CB -0.392 40.408 40.800 0.001 0.000 1.077 288 D HN 0.263 nan 8.370 nan 0.000 0.428 289 K N -0.540 119.854 120.400 -0.010 0.000 2.313 289 K HA 0.360 4.679 4.320 -0.001 0.000 0.197 289 K C 1.061 177.644 176.600 -0.029 0.000 1.061 289 K CA 0.436 56.712 56.287 -0.018 0.000 0.980 289 K CB 0.410 32.899 32.500 -0.018 0.000 0.888 289 K HN 0.262 nan 8.250 nan 0.000 0.502 290 A N 2.507 125.307 122.820 -0.033 0.000 2.561 290 A HA -0.061 4.259 4.320 -0.001 0.000 0.234 290 A C 0.018 177.573 177.584 -0.048 0.000 1.055 290 A CA -0.006 51.996 52.037 -0.058 0.000 0.756 290 A CB -0.086 18.883 19.000 -0.051 0.000 0.986 290 A HN 0.213 nan 8.150 nan 0.000 0.505 291 N N 2.777 121.433 118.700 -0.074 0.000 2.401 291 N HA 0.217 4.957 4.740 -0.001 0.000 0.255 291 N C -1.624 173.897 175.510 0.019 0.000 1.110 291 N CA -1.980 51.048 53.050 -0.036 0.000 0.949 291 N CB 1.093 39.554 38.487 -0.043 0.000 1.110 291 N HN 0.370 nan 8.380 nan 0.000 0.490 292 P HA 0.045 nan 4.420 nan 0.000 0.251 292 P C 1.330 178.671 177.300 0.067 0.000 1.223 292 P CA 0.232 63.373 63.100 0.067 0.000 0.796 292 P CB 0.516 32.239 31.700 0.039 0.000 1.068 293 L N -0.196 121.051 121.223 0.039 0.000 2.187 293 L HA -0.168 4.171 4.340 -0.001 0.000 0.213 293 L C 2.624 179.534 176.870 0.066 0.000 1.100 293 L CA 1.625 56.478 54.840 0.022 0.000 0.765 293 L CB -1.003 41.029 42.059 -0.045 0.000 0.904 293 L HN -0.004 nan 8.230 nan 0.000 0.437 294 A N -0.543 122.346 122.820 0.114 0.000 1.897 294 A HA -0.137 4.182 4.320 -0.001 0.000 0.215 294 A C 2.362 179.994 177.584 0.081 0.000 1.181 294 A CA 1.969 54.078 52.037 0.120 0.000 0.620 294 A CB -0.688 18.413 19.000 0.169 0.000 0.821 294 A HN 0.351 nan 8.150 nan 0.000 0.443 295 T N 0.397 115.003 114.554 0.087 0.000 2.777 295 T HA -0.040 4.309 4.350 -0.001 0.000 0.266 295 T C 1.791 176.524 174.700 0.055 0.000 1.040 295 T CA 1.392 63.530 62.100 0.063 0.000 1.141 295 T CB -0.374 68.540 68.868 0.076 0.000 0.868 295 T HN 0.403 nan 8.240 nan 0.000 0.444 296 I N 0.787 121.389 120.570 0.053 0.000 2.226 296 I HA -0.119 4.051 4.170 -0.001 0.000 0.245 296 I C 2.159 178.303 176.117 0.046 0.000 1.100 296 I CA 1.249 62.572 61.300 0.038 0.000 1.374 296 I CB -0.357 37.662 38.000 0.031 0.000 1.057 296 I HN 0.188 nan 8.210 nan 0.000 0.413 297 L N -0.190 121.074 121.223 0.069 0.000 2.275 297 L HA -0.134 4.205 4.340 -0.001 0.000 0.215 297 L C 2.478 179.397 176.870 0.082 0.000 1.119 297 L CA 0.751 55.645 54.840 0.090 0.000 0.790 297 L CB -0.343 41.797 42.059 0.135 0.000 0.919 297 L HN 0.171 nan 8.230 nan 0.000 0.443 298 S N -0.939 114.807 115.700 0.077 0.000 2.414 298 S HA -0.086 4.383 4.470 -0.001 0.000 0.227 298 S C 1.995 176.591 174.600 -0.006 0.000 1.022 298 S CA 0.617 58.879 58.200 0.104 0.000 0.958 298 S CB 0.087 63.367 63.200 0.134 0.000 0.797 298 S HN 0.152 nan 8.310 nan 0.000 0.493 299 V N 2.064 121.957 119.914 -0.035 0.000 2.427 299 V HA -0.150 3.969 4.120 -0.001 0.000 0.248 299 V C 2.601 178.621 176.094 -0.123 0.000 1.051 299 V CA 1.596 63.827 62.300 -0.115 0.000 1.048 299 V CB -1.042 30.749 31.823 -0.054 0.000 0.666 299 V HN 0.528 nan 8.190 nan 0.000 0.456 300 A N -0.724 122.074 122.820 -0.037 0.000 1.972 300 A HA -0.215 4.104 4.320 -0.001 0.000 0.219 300 A C 2.221 179.787 177.584 -0.030 0.000 1.169 300 A CA 2.001 54.032 52.037 -0.009 0.000 0.635 300 A CB -0.435 18.588 19.000 0.038 0.000 0.810 300 A HN 0.500 nan 8.150 nan 0.000 0.446 301 M N -1.592 118.004 119.600 -0.007 0.000 2.175 301 M HA -0.066 4.414 4.480 -0.001 0.000 0.264 301 M C 2.422 178.687 176.300 -0.059 0.000 1.063 301 M CA 1.745 57.114 55.300 0.115 0.000 1.119 301 M CB -0.289 32.504 32.600 0.322 0.000 1.377 301 M HN 0.624 nan 8.290 nan 0.000 0.415 302 M N 0.579 119.814 119.600 -0.609 0.000 2.132 302 M HA -0.184 4.296 4.480 -0.001 0.000 0.263 302 M C 1.884 178.004 176.300 -0.299 0.000 1.065 302 M CA 1.650 56.376 55.300 -0.957 0.000 1.122 302 M CB -0.046 31.886 32.600 -1.112 0.000 1.365 302 M HN 0.224 nan 8.290 nan 0.000 0.411 303 L N -0.354 120.753 121.223 -0.192 0.000 2.127 303 L HA -0.221 4.119 4.340 -0.001 0.000 0.211 303 L C 2.703 179.541 176.870 -0.054 0.000 1.089 303 L CA 1.416 56.210 54.840 -0.077 0.000 0.757 303 L CB -0.656 41.395 42.059 -0.013 0.000 0.899 303 L HN 0.411 nan 8.230 nan 0.000 0.434 304 R N -1.092 119.348 120.500 -0.100 0.000 2.057 304 R HA -0.080 4.259 4.340 -0.001 0.000 0.224 304 R C 2.268 178.434 176.300 -0.222 0.000 1.136 304 R CA 0.934 56.921 56.100 -0.188 0.000 0.968 304 R CB -0.060 30.048 30.300 -0.320 0.000 0.863 304 R HN 0.385 nan 8.270 nan 0.000 0.433 305 H N -0.944 118.170 119.070 0.074 0.000 2.544 305 H HA 0.214 4.769 4.556 -0.001 0.000 0.269 305 H C 1.237 176.643 175.328 0.131 0.000 0.970 305 H CA 0.920 57.042 56.048 0.124 0.000 1.219 305 H CB 0.864 30.749 29.762 0.205 0.000 1.421 305 H HN 0.212 nan 8.280 nan 0.000 0.555 306 S N -0.354 115.464 115.700 0.196 0.000 2.670 306 S HA 0.197 4.666 4.470 -0.001 0.000 0.241 306 S C 1.634 176.276 174.600 0.071 0.000 1.077 306 S CA -0.262 58.031 58.200 0.155 0.000 0.899 306 S CB 0.795 64.125 63.200 0.217 0.000 0.835 306 S HN 0.121 nan 8.310 nan 0.000 0.481 307 L N 1.770 123.008 121.223 0.026 0.000 2.667 307 L HA 0.380 4.720 4.340 -0.001 0.000 0.232 307 L C 0.232 177.114 176.870 0.020 0.000 1.138 307 L CA -0.111 54.735 54.840 0.010 0.000 0.921 307 L CB -0.642 41.404 42.059 -0.022 0.000 1.180 307 L HN 0.248 nan 8.230 nan 0.000 0.487 308 N N 1.544 120.259 118.700 0.026 0.000 2.714 308 N HA -0.232 4.508 4.740 -0.001 0.000 0.252 308 N C 0.021 175.559 175.510 0.046 0.000 1.014 308 N CA 0.712 53.780 53.050 0.030 0.000 0.735 308 N CB -0.264 38.244 38.487 0.034 0.000 0.924 308 N HN 0.470 nan 8.380 nan 0.000 0.540 309 A N 0.141 122.992 122.820 0.051 0.000 3.129 309 A HA 0.363 4.682 4.320 -0.001 0.000 0.282 309 A C 1.059 178.707 177.584 0.107 0.000 0.948 309 A CA 0.145 52.255 52.037 0.122 0.000 1.027 309 A CB 0.379 19.467 19.000 0.147 0.000 1.123 309 A HN 0.439 nan 8.150 nan 0.000 0.485 310 E N 1.442 121.665 120.200 0.038 0.000 2.070 310 E HA -0.155 4.195 4.350 -0.001 0.000 0.197 310 E C -1.031 175.558 176.600 -0.017 0.000 1.004 310 E CA 2.686 59.082 56.400 -0.007 0.000 0.805 310 E CB -0.772 28.912 29.700 -0.027 0.000 0.744 310 E HN 0.465 nan 8.360 nan 0.000 0.451 311 P HA -0.129 nan 4.420 nan 0.000 0.218 311 P C 0.541 177.670 177.300 -0.285 0.000 1.148 311 P CA 1.659 64.648 63.100 -0.185 0.000 0.822 311 P CB -0.193 31.366 31.700 -0.235 0.000 0.784 312 W N -0.816 120.465 121.300 -0.032 0.000 2.576 312 W HA 0.166 4.826 4.660 -0.001 0.000 0.270 312 W C 2.479 178.975 176.519 -0.038 0.000 1.255 312 W CA 0.657 57.981 57.345 -0.035 0.000 1.314 312 W CB -0.803 28.632 29.460 -0.041 0.000 1.101 312 W HN -0.140 nan 8.180 nan 0.000 0.595 313 A N 0.155 123.052 122.820 0.128 0.000 1.930 313 A HA -0.235 4.084 4.320 -0.001 0.000 0.217 313 A C 1.847 179.450 177.584 0.031 0.000 1.175 313 A CA 1.549 53.619 52.037 0.056 0.000 0.627 313 A CB -0.632 18.368 19.000 -0.001 0.000 0.815 313 A HN 0.388 nan 8.150 nan 0.000 0.443 314 Q N -1.142 118.653 119.800 -0.008 0.000 2.119 314 Q HA -0.140 4.199 4.340 -0.001 0.000 0.201 314 Q C 2.323 178.307 176.000 -0.027 0.000 0.972 314 Q CA 1.460 57.246 55.803 -0.028 0.000 0.847 314 Q CB -0.148 28.551 28.738 -0.065 0.000 0.903 314 Q HN 0.664 nan 8.270 nan 0.000 0.433 315 R N 0.242 120.709 120.500 -0.056 0.000 2.115 315 R HA -0.106 4.233 4.340 -0.001 0.000 0.230 315 R C 2.016 178.343 176.300 0.044 0.000 1.111 315 R CA 0.798 56.868 56.100 -0.049 0.000 0.976 315 R CB 0.042 30.249 30.300 -0.155 0.000 0.870 315 R HN 0.061 nan 8.270 nan 0.000 0.445 316 V N 0.768 120.733 119.914 0.085 0.000 2.379 316 V HA -0.173 3.947 4.120 -0.001 0.000 0.245 316 V C 1.788 177.924 176.094 0.070 0.000 1.044 316 V CA 1.911 64.262 62.300 0.086 0.000 1.036 316 V CB -0.318 31.556 31.823 0.085 0.000 0.664 316 V HN 0.395 nan 8.190 nan 0.000 0.453 317 E N 0.366 120.607 120.200 0.068 0.000 2.150 317 E HA -0.142 4.207 4.350 -0.001 0.000 0.193 317 E C 2.239 178.896 176.600 0.096 0.000 0.985 317 E CA 1.193 57.649 56.400 0.093 0.000 0.814 317 E CB -0.280 29.466 29.700 0.076 0.000 0.752 317 E HN 0.607 nan 8.360 nan 0.000 0.466 318 A N 1.275 124.128 122.820 0.056 0.000 1.929 318 A HA 0.034 4.354 4.320 -0.001 0.000 0.216 318 A C 2.354 179.965 177.584 0.045 0.000 1.176 318 A CA 1.259 53.322 52.037 0.044 0.000 0.628 318 A CB -0.412 18.592 19.000 0.007 0.000 0.816 318 A HN 0.275 nan 8.150 nan 0.000 0.444 319 A N -0.454 122.390 122.820 0.041 0.000 1.930 319 A HA 0.036 4.355 4.320 -0.001 0.000 0.217 319 A C 2.167 179.764 177.584 0.022 0.000 1.175 319 A CA 1.684 53.740 52.037 0.032 0.000 0.627 319 A CB -0.749 18.274 19.000 0.038 0.000 0.815 319 A HN 0.347 nan 8.150 nan 0.000 0.443 320 V N -0.313 119.620 119.914 0.031 0.000 2.358 320 V HA -0.254 3.866 4.120 -0.001 0.000 0.246 320 V C 2.708 178.784 176.094 -0.031 0.000 1.047 320 V CA 2.267 64.559 62.300 -0.013 0.000 1.035 320 V CB -0.683 31.147 31.823 0.013 0.000 0.658 320 V HN 0.685 nan 8.190 nan 0.000 0.452 321 Q N 0.451 120.297 119.800 0.077 0.000 2.084 321 Q HA -0.191 4.148 4.340 -0.001 0.000 0.202 321 Q C 2.321 178.348 176.000 0.044 0.000 0.978 321 Q CA 1.872 57.746 55.803 0.118 0.000 0.844 321 Q CB -0.361 28.477 28.738 0.167 0.000 0.898 321 Q HN 0.502 nan 8.270 nan 0.000 0.426 322 R N -1.027 119.491 120.500 0.030 0.000 2.091 322 R HA -0.112 4.227 4.340 -0.001 0.000 0.238 322 R C 2.105 178.404 176.300 -0.003 0.000 1.136 322 R CA 1.528 57.636 56.100 0.015 0.000 0.959 322 R CB -0.307 30.001 30.300 0.014 0.000 0.856 322 R HN 0.216 nan 8.270 nan 0.000 0.437 323 V N 1.149 121.052 119.914 -0.017 0.000 2.407 323 V HA -0.253 3.867 4.120 -0.001 0.000 0.248 323 V C 2.221 178.288 176.094 -0.044 0.000 1.055 323 V CA 1.639 63.920 62.300 -0.032 0.000 1.049 323 V CB -0.327 31.470 31.823 -0.043 0.000 0.662 323 V HN 0.341 nan 8.190 nan 0.000 0.455 324 L N -0.648 120.536 121.223 -0.064 0.000 2.072 324 L HA -0.123 4.216 4.340 -0.001 0.000 0.205 324 L C 2.385 179.243 176.870 -0.020 0.000 1.079 324 L CA 1.402 56.202 54.840 -0.067 0.000 0.752 324 L CB -0.774 41.216 42.059 -0.115 0.000 0.906 324 L HN 0.287 nan 8.230 nan 0.000 0.436 325 D N 0.369 120.769 120.400 0.000 0.000 2.149 325 D HA -0.220 4.420 4.640 -0.001 0.000 0.198 325 D C 1.982 178.284 176.300 0.004 0.000 0.990 325 D CA 1.298 55.306 54.000 0.012 0.000 0.839 325 D CB -0.142 40.670 40.800 0.019 0.000 0.948 325 D HN 0.546 nan 8.370 nan 0.000 0.460 326 Q N -0.309 119.489 119.800 -0.003 0.000 2.329 326 Q HA 0.211 4.551 4.340 -0.001 0.000 0.208 326 Q C 0.984 176.980 176.000 -0.007 0.000 0.934 326 Q CA 0.629 56.430 55.803 -0.004 0.000 0.951 326 Q CB -0.007 28.729 28.738 -0.004 0.000 1.017 326 Q HN 0.139 nan 8.270 nan 0.000 0.490 327 G N 1.213 110.007 108.800 -0.010 0.000 2.153 327 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.252 327 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.252 327 G C -0.079 174.810 174.900 -0.018 0.000 0.994 327 G CA 0.155 45.248 45.100 -0.012 0.000 0.698 327 G HN 0.413 nan 8.290 nan 0.000 0.521 328 L N 0.789 121.996 121.223 -0.025 0.000 2.319 328 L HA 0.572 4.911 4.340 -0.001 0.000 0.280 328 L C 0.572 177.418 176.870 -0.041 0.000 1.099 328 L CA -0.501 54.321 54.840 -0.030 0.000 0.828 328 L CB 0.657 42.698 42.059 -0.030 0.000 1.150 328 L HN 0.073 nan 8.230 nan 0.000 0.442 329 R N 1.545 122.025 120.500 -0.034 0.000 2.673 329 R HA 0.505 4.845 4.340 -0.001 0.000 0.281 329 R C -0.472 175.809 176.300 -0.032 0.000 0.991 329 R CA -0.741 55.337 56.100 -0.038 0.000 0.896 329 R CB 1.973 32.255 30.300 -0.029 0.000 1.201 329 R HN 0.603 nan 8.270 nan 0.000 0.457 330 T N -1.713 112.819 114.554 -0.036 0.000 2.912 330 T HA 0.409 4.759 4.350 -0.001 0.000 0.280 330 T C 1.531 176.214 174.700 -0.027 0.000 0.989 330 T CA -0.217 61.865 62.100 -0.031 0.000 0.995 330 T CB 1.538 70.385 68.868 -0.035 0.000 1.077 330 T HN 0.526 nan 8.240 nan 0.000 0.531 331 A N 1.548 124.354 122.820 -0.025 0.000 1.927 331 A HA -0.232 4.087 4.320 -0.001 0.000 0.220 331 A C 2.064 179.635 177.584 -0.021 0.000 1.185 331 A CA 2.203 54.227 52.037 -0.021 0.000 0.639 331 A CB -1.149 17.839 19.000 -0.020 0.000 0.820 331 A HN 1.009 nan 8.150 nan 0.000 0.451 332 D N 0.459 120.843 120.400 -0.027 0.000 2.219 332 D HA -0.127 4.512 4.640 -0.001 0.000 0.205 332 D C 1.494 177.785 176.300 -0.015 0.000 0.970 332 D CA 1.482 55.468 54.000 -0.023 0.000 0.851 332 D CB -0.541 40.238 40.800 -0.035 0.000 0.943 332 D HN 0.746 nan 8.370 nan 0.000 0.488 333 I N -3.069 117.490 120.570 -0.019 0.000 3.974 333 I HA 0.527 4.696 4.170 -0.001 0.000 0.334 333 I C 0.333 176.441 176.117 -0.014 0.000 1.437 333 I CA -0.812 60.479 61.300 -0.015 0.000 1.113 333 I CB 0.548 38.531 38.000 -0.029 0.000 1.063 333 I HN -0.111 nan 8.210 nan 0.000 0.400 334 A N 1.666 124.478 122.820 -0.013 0.000 2.317 334 A HA 0.861 5.181 4.320 -0.001 0.000 0.327 334 A C 0.351 177.932 177.584 -0.005 0.000 1.178 334 A CA -0.309 51.722 52.037 -0.010 0.000 0.817 334 A CB 0.907 19.900 19.000 -0.013 0.000 1.189 334 A HN 0.433 nan 8.150 nan 0.000 0.489 335 A N 2.893 125.712 122.820 -0.003 0.000 2.366 335 A HA 0.607 4.926 4.320 -0.001 0.000 0.249 335 A C -2.414 175.169 177.584 -0.001 0.000 1.084 335 A CA -1.181 50.856 52.037 -0.000 0.000 0.794 335 A CB -0.647 18.354 19.000 0.002 0.000 1.034 335 A HN 0.591 nan 8.150 nan 0.000 0.491 336 P HA 0.305 nan 4.420 nan 0.000 0.267 336 P C 0.964 178.263 177.300 -0.001 0.000 1.209 336 P CA 1.746 64.845 63.100 -0.001 0.000 0.763 336 P CB 0.714 32.414 31.700 -0.000 0.000 0.816 337 G N 1.961 110.760 108.800 -0.002 0.000 2.268 337 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.240 337 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.240 337 G C 0.493 175.392 174.900 -0.002 0.000 1.010 337 G CA 0.057 45.156 45.100 -0.002 0.000 0.618 337 G HN 0.584 nan 8.290 nan 0.000 0.516 338 T N 3.381 117.933 114.554 -0.003 0.000 2.913 338 T HA 0.490 4.839 4.350 -0.001 0.000 0.297 338 T C -1.889 172.807 174.700 -0.005 0.000 1.029 338 T CA -0.304 61.794 62.100 -0.004 0.000 1.104 338 T CB 1.265 70.130 68.868 -0.004 0.000 0.964 338 T HN 0.136 nan 8.240 nan 0.000 0.532 339 P HA 0.242 nan 4.420 nan 0.000 0.265 339 P C -1.191 176.103 177.300 -0.010 0.000 1.193 339 P CA -0.127 62.969 63.100 -0.007 0.000 0.765 339 P CB 0.434 32.130 31.700 -0.006 0.000 0.823 340 V N 4.495 124.403 119.914 -0.010 0.000 2.735 340 V HA 0.524 4.643 4.120 -0.001 0.000 0.310 340 V C 0.255 176.342 176.094 -0.012 0.000 1.061 340 V CA -0.678 61.615 62.300 -0.013 0.000 0.913 340 V CB 1.854 33.669 31.823 -0.013 0.000 1.005 340 V HN 0.414 nan 8.190 nan 0.000 0.428 341 I N 0.751 121.312 120.570 -0.015 0.000 2.693 341 I HA 0.968 5.137 4.170 -0.001 0.000 0.303 341 I C 0.580 176.689 176.117 -0.014 0.000 1.025 341 I CA -0.608 60.684 61.300 -0.014 0.000 1.086 341 I CB 2.023 40.014 38.000 -0.014 0.000 1.268 341 I HN 0.643 nan 8.210 nan 0.000 0.440 342 G N 2.047 110.840 108.800 -0.011 0.000 2.588 342 G HA2 0.319 4.279 3.960 -0.001 0.000 0.278 342 G HA3 0.319 4.279 3.960 -0.001 0.000 0.278 342 G C 0.549 175.443 174.900 -0.010 0.000 1.307 342 G CA 0.022 45.115 45.100 -0.010 0.000 1.016 342 G HN 0.775 nan 8.290 nan 0.000 0.503 343 T N 0.053 114.603 114.554 -0.007 0.000 2.708 343 T HA -0.107 4.243 4.350 -0.001 0.000 0.266 343 T C 2.348 177.048 174.700 -0.001 0.000 1.037 343 T CA 1.185 63.283 62.100 -0.003 0.000 1.146 343 T CB -0.132 68.738 68.868 0.003 0.000 0.865 343 T HN 0.310 nan 8.240 nan 0.000 0.435 344 K N 1.525 121.925 120.400 -0.000 0.000 2.002 344 K HA 0.051 4.370 4.320 -0.001 0.000 0.209 344 K C 2.587 179.186 176.600 -0.003 0.000 1.048 344 K CA 1.648 57.935 56.287 -0.000 0.000 0.930 344 K CB -0.836 31.664 32.500 0.000 0.000 0.714 344 K HN 0.321 nan 8.250 nan 0.000 0.438 345 A N 0.855 123.672 122.820 -0.004 0.000 1.933 345 A HA -0.189 4.131 4.320 -0.001 0.000 0.218 345 A C 2.145 179.724 177.584 -0.008 0.000 1.175 345 A CA 1.906 53.940 52.037 -0.006 0.000 0.628 345 A CB -0.418 18.578 19.000 -0.007 0.000 0.814 345 A HN 0.410 nan 8.150 nan 0.000 0.444 346 M N 0.359 119.953 119.600 -0.010 0.000 2.229 346 M HA 0.032 4.512 4.480 -0.001 0.000 0.264 346 M C 1.866 178.161 176.300 -0.010 0.000 1.063 346 M CA 1.583 56.875 55.300 -0.014 0.000 1.114 346 M CB -0.906 31.683 32.600 -0.018 0.000 1.387 346 M HN 0.282 nan 8.290 nan 0.000 0.420 347 G N -0.791 108.007 108.800 -0.004 0.000 2.404 347 G HA2 -0.059 3.901 3.960 -0.001 0.000 0.215 347 G HA3 -0.059 3.901 3.960 -0.001 0.000 0.215 347 G C 1.538 176.437 174.900 -0.002 0.000 1.174 347 G CA 0.772 45.871 45.100 -0.001 0.000 0.780 347 G HN 0.633 nan 8.290 nan 0.000 0.537 348 A N 0.961 123.779 122.820 -0.003 0.000 2.019 348 A HA 0.326 4.646 4.320 -0.001 0.000 0.219 348 A C 2.712 180.295 177.584 -0.001 0.000 1.164 348 A CA 2.040 54.076 52.037 -0.002 0.000 0.644 348 A CB -0.527 18.471 19.000 -0.003 0.000 0.805 348 A HN 0.696 nan 8.150 nan 0.000 0.449 349 A N -0.556 122.262 122.820 -0.004 0.000 1.897 349 A HA 0.050 4.370 4.320 -0.001 0.000 0.215 349 A C 2.153 179.736 177.584 -0.002 0.000 1.181 349 A CA 1.629 53.663 52.037 -0.005 0.000 0.620 349 A CB -0.753 18.241 19.000 -0.010 0.000 0.821 349 A HN 0.375 nan 8.150 nan 0.000 0.443 350 V N -0.178 119.735 119.914 -0.001 0.000 2.515 350 V HA -0.188 3.932 4.120 -0.001 0.000 0.250 350 V C 2.532 178.636 176.094 0.016 0.000 1.058 350 V CA 1.747 64.050 62.300 0.005 0.000 1.064 350 V CB -0.675 31.151 31.823 0.005 0.000 0.675 350 V HN 0.364 nan 8.190 nan 0.000 0.461 351 V N 1.033 120.954 119.914 0.012 0.000 2.343 351 V HA -0.293 3.826 4.120 -0.001 0.000 0.247 351 V C 2.061 178.167 176.094 0.020 0.000 1.051 351 V CA 2.550 64.859 62.300 0.016 0.000 1.036 351 V CB -1.084 30.742 31.823 0.005 0.000 0.654 351 V HN 0.657 nan 8.190 nan 0.000 0.451 352 N N 0.883 119.591 118.700 0.013 0.000 2.106 352 N HA -0.088 4.652 4.740 -0.001 0.000 0.188 352 N C 1.812 177.332 175.510 0.018 0.000 1.029 352 N CA 1.120 54.178 53.050 0.014 0.000 0.848 352 N CB -0.376 38.115 38.487 0.008 0.000 1.007 352 N HN 0.459 nan 8.380 nan 0.000 0.423 353 A N 0.616 123.445 122.820 0.015 0.000 2.225 353 A HA -0.052 4.267 4.320 -0.001 0.000 0.215 353 A C 1.789 179.388 177.584 0.025 0.000 1.164 353 A CA 0.757 52.803 52.037 0.015 0.000 0.710 353 A CB -0.322 18.684 19.000 0.010 0.000 0.780 353 A HN 0.147 nan 8.150 nan 0.000 0.473 354 L N -0.387 120.859 121.223 0.038 0.000 2.395 354 L HA 0.015 4.354 4.340 -0.001 0.000 0.218 354 L C 0.348 177.252 176.870 0.056 0.000 1.130 354 L CA 0.688 55.565 54.840 0.061 0.000 0.826 354 L CB -0.852 41.260 42.059 0.089 0.000 0.941 354 L HN 0.521 nan 8.230 nan 0.000 0.451 355 N N 0.095 118.819 118.700 0.039 0.000 2.727 355 N HA -0.235 4.505 4.740 -0.001 0.000 0.249 355 N C -0.233 175.305 175.510 0.046 0.000 1.048 355 N CA 0.545 53.614 53.050 0.031 0.000 0.714 355 N CB -1.865 36.632 38.487 0.017 0.000 0.959 355 N HN 0.285 nan 8.380 nan 0.000 0.544 356 L N -0.097 121.164 121.223 0.062 0.000 2.499 356 L HA 0.048 4.388 4.340 -0.001 0.000 0.273 356 L C 1.524 178.427 176.870 0.056 0.000 1.195 356 L CA 0.367 55.255 54.840 0.080 0.000 0.882 356 L CB 0.396 42.498 42.059 0.071 0.000 1.133 356 L HN 0.078 nan 8.230 nan 0.000 0.483 357 K N 0.000 120.438 120.400 0.063 0.000 2.780 357 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 357 K CA 0.000 56.316 56.287 0.048 0.000 0.838 357 K CB 0.000 32.533 32.500 0.055 0.000 1.064 357 K HN 0.000 nan 8.250 nan 0.000 0.543